data_15421_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15421
_Entry.PDB_ID 1AGT
_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 17
_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 5 . 1 1 1 A 2 2 VAL H H 2 8.950 8.137 0.813 1
1 6 . 1 1 1 A 2 2 VAL HA H 2 4.590 4.484 0.106 1
1 14 . 1 1 1 A 2 2 VAL N N 2 120.960 121.478 -0.518 1
1 15 . 1 1 1 A 3 3 PRO HA H 3 4.550 4.472 0.078 1
1 22 . 1 1 1 A 4 4 ILE H H 4 8.210 7.737 0.473 1
1 23 . 1 1 1 A 4 4 ILE HA H 4 4.530 4.645 -0.115 1
1 33 . 1 1 1 A 4 4 ILE N N 4 114.990 117.163 -2.173 1
1 34 . 1 1 1 A 5 5 ASN H H 5 8.720 8.800 -0.080 1
1 35 . 1 1 1 A 5 5 ASN HA H 5 4.800 4.993 -0.193 1
1 40 . 1 1 1 A 5 5 ASN N N 5 120.960 122.009 -1.049 1
1 42 . 1 1 1 A 6 6 VAL H H 6 8.020 7.759 0.261 1
1 43 . 1 1 1 A 6 6 VAL HA H 6 4.200 4.582 -0.382 1
1 51 . 1 1 1 A 6 6 VAL N N 6 121.460 125.143 -3.683 1
1 52 . 1 1 1 A 7 7 SER H H 7 8.640 8.962 -0.322 1
1 53 . 1 1 1 A 7 7 SER HA H 7 5.080 4.933 0.147 1
1 56 . 1 1 1 A 7 7 SER N N 7 122.450 121.627 0.823 1
1 57 . 1 1 1 A 8 8 CYS H H 8 7.990 8.551 -0.561 1
1 58 . 1 1 1 A 8 8 CYS HA H 8 4.940 4.917 0.023 1
1 61 . 1 1 1 A 8 8 CYS N N 8 114.990 123.905 -8.915 1
1 62 . 1 1 1 A 9 9 THR H H 9 9.330 8.900 0.430 1
1 63 . 1 1 1 A 9 9 THR HA H 9 4.470 4.406 0.064 1
1 68 . 1 1 1 A 9 9 THR N N 9 108.530 119.220 -10.690 1
1 69 . 1 1 1 A 10 10 GLY H H 10 7.720 7.839 -0.119 1
1 70 . 1 1 1 A 10 10 GLY HA2 H 10 4.510 4.094 0.416 1
1 71 . 1 1 1 A 10 10 GLY HA3 H 10 4.070 4.096 -0.026 1
1 72 . 1 1 1 A 10 10 GLY N N 10 109.520 107.529 1.991 1
1 73 . 1 1 1 A 11 11 SER H H 11 9.360 8.978 0.382 1
1 74 . 1 1 1 A 11 11 SER HA H 11 4.210 4.246 -0.036 1
1 76 . 1 1 1 A 11 11 SER N N 11 119.470 114.609 4.861 1
1 77 . 1 1 1 A 12 12 PRO HA H 12 4.360 4.333 0.027 1
1 84 . 1 1 1 A 13 13 GLN H H 13 7.330 8.353 -1.023 1
1 85 . 1 1 1 A 13 13 GLN HA H 13 4.220 3.963 0.257 1
1 92 . 1 1 1 A 13 13 GLN N N 13 112.500 116.242 -3.742 1
1 94 . 1 1 1 A 14 14 CYS H H 14 8.300 7.900 0.400 1
1 95 . 1 1 1 A 14 14 CYS HA H 14 4.800 4.514 0.286 1
1 98 . 1 1 1 A 14 14 CYS N N 14 112.500 117.566 -5.066 1
1 99 . 1 1 1 A 15 15 ILE H H 15 7.220 7.713 -0.493 1
1 100 . 1 1 1 A 15 15 ILE HA H 15 3.820 3.732 0.088 1
1 110 . 1 1 1 A 15 15 ILE N N 15 121.950 122.481 -0.531 1
1 111 . 1 1 1 A 16 16 LYS H H 16 9.020 7.975 1.045 1
1 112 . 1 1 1 A 16 16 LYS HA H 16 4.290 4.119 0.171 1
1 120 . 1 1 1 A 16 16 LYS N N 16 119.960 119.341 0.619 1
1 121 . 1 1 1 A 17 17 PRO HA H 17 4.370 4.155 0.215 1
1 128 . 1 1 1 A 18 18 CYS H H 18 7.670 7.704 -0.034 1
1 129 . 1 1 1 A 18 18 CYS HA H 18 4.470 4.264 0.206 1
1 132 . 1 1 1 A 18 18 CYS N N 18 113.000 114.595 -1.595 1
1 133 . 1 1 1 A 19 19 LYS H H 19 8.100 7.859 0.241 1
1 134 . 1 1 1 A 19 19 LYS HA H 19 4.290 3.977 0.313 1
1 142 . 1 1 1 A 19 19 LYS N N 19 123.450 121.232 2.218 1
1 143 . 1 1 1 A 20 20 ASP H H 20 9.150 8.409 0.741 1
1 144 . 1 1 1 A 20 20 ASP HA H 20 4.390 4.378 0.012 1
1 147 . 1 1 1 A 20 20 ASP N N 20 122.450 120.178 2.272 1
1 148 . 1 1 1 A 21 21 ALA H H 21 7.380 7.428 -0.048 1
1 149 . 1 1 1 A 21 21 ALA HA H 21 4.480 4.119 0.361 1
1 153 . 1 1 1 A 21 21 ALA N N 21 119.470 118.925 0.545 1
1 154 . 1 1 1 A 22 22 GLY H H 22 8.090 7.505 0.585 1
1 155 . 1 1 1 A 22 22 GLY HA2 H 22 4.160 4.049 0.111 1
1 156 . 1 1 1 A 22 22 GLY HA3 H 22 3.870 4.055 -0.185 1
1 157 . 1 1 1 A 22 22 GLY N N 22 106.540 105.120 1.420 1
1 158 . 1 1 1 A 23 23 MET H H 23 8.180 7.593 0.587 1
1 159 . 1 1 1 A 23 23 MET HA H 23 4.650 5.005 -0.355 1
1 167 . 1 1 1 A 23 23 MET N N 23 118.970 118.316 0.654 1
1 168 . 1 1 1 A 24 24 ARG H H 24 8.430 8.855 -0.425 1
1 169 . 1 1 1 A 24 24 ARG HA H 24 4.480 4.130 0.350 1
1 177 . 1 1 1 A 24 24 ARG N N 24 115.490 121.035 -5.545 1
1 178 . 1 1 1 A 25 25 PHE H H 25 8.200 7.726 0.474 1
1 179 . 1 1 1 A 25 25 PHE HA H 25 4.490 5.219 -0.729 1
1 182 . 1 1 1 A 25 25 PHE N N 25 114.490 114.660 -0.170 1
1 183 . 1 1 1 A 26 26 GLY H H 26 7.910 8.800 -0.890 1
1 184 . 1 1 1 A 26 26 GLY HA2 H 26 4.650 4.283 0.367 1
1 185 . 1 1 1 A 26 26 GLY HA3 H 26 3.820 4.297 -0.477 1
1 186 . 1 1 1 A 26 26 GLY N N 26 107.030 108.857 -1.827 1
1 187 . 1 1 1 A 27 27 LYS H H 27 8.800 8.891 -0.091 1
1 188 . 1 1 1 A 27 27 LYS HA H 27 4.640 5.043 -0.403 1
1 194 . 1 1 1 A 27 27 LYS N N 27 121.950 125.508 -3.558 1
1 195 . 1 1 1 A 28 28 CYS H H 28 8.840 9.084 -0.244 1
1 196 . 1 1 1 A 28 28 CYS HA H 28 4.910 5.415 -0.505 1
1 199 . 1 1 1 A 28 28 CYS N N 28 125.430 126.752 -1.322 1
1 200 . 1 1 1 A 29 29 MET H H 29 8.850 8.480 0.370 1
1 201 . 1 1 1 A 29 29 MET HA H 29 4.650 4.660 -0.010 1
1 209 . 1 1 1 A 29 29 MET N N 29 128.920 125.099 3.821 1
1 210 . 1 1 1 A 30 30 ASN H H 30 9.440 8.717 0.723 1
1 211 . 1 1 1 A 30 30 ASN HA H 30 4.340 4.485 -0.145 1
1 216 . 1 1 1 A 30 30 ASN N N 30 124.440 118.826 5.614 1
1 218 . 1 1 1 A 31 31 ARG H H 31 8.580 8.907 -0.327 1
1 219 . 1 1 1 A 31 31 ARG HA H 31 4.100 3.985 0.115 1
1 227 . 1 1 1 A 31 31 ARG N N 31 106.040 120.590 -14.550 1
1 228 . 1 1 1 A 32 32 LYS H H 32 7.840 7.362 0.478 1
1 229 . 1 1 1 A 32 32 LYS HA H 32 5.320 4.584 0.736 1
1 238 . 1 1 1 A 32 32 LYS N N 32 118.970 117.954 1.016 1
1 239 . 1 1 1 A 33 33 CYS H H 33 8.610 8.287 0.323 1
1 240 . 1 1 1 A 33 33 CYS HA H 33 5.090 4.783 0.307 1
1 243 . 1 1 1 A 33 33 CYS N N 33 121.460 123.111 -1.651 1
1 244 . 1 1 1 A 34 34 HIS H H 34 9.490 8.757 0.733 1
1 245 . 1 1 1 A 34 34 HIS HA H 34 5.210 5.026 0.184 1
1 250 . 1 1 1 A 34 34 HIS N N 34 120.460 119.809 0.651 1
1 251 . 1 1 1 A 35 35 CYS H H 35 9.180 8.292 0.888 1
1 252 . 1 1 1 A 35 35 CYS HA H 35 5.330 4.931 0.399 1
1 255 . 1 1 1 A 35 35 CYS N N 35 120.460 122.921 -2.461 1
1 256 . 1 1 1 A 36 36 THR H H 36 8.800 8.639 0.161 1
1 257 . 1 1 1 A 36 36 THR HA H 36 4.980 4.820 0.160 1
1 260 . 1 1 1 A 36 36 THR N N 36 117.980 119.112 -1.132 1
1 261 . 1 1 1 A 37 37 PRO HA H 37 4.470 4.594 -0.124 1
1 5 . 2 1 1 A 2 2 VAL H H 2 8.950 8.834 0.116 1
1 6 . 2 1 1 A 2 2 VAL HA H 2 4.590 4.542 0.048 1
1 14 . 2 1 1 A 2 2 VAL N N 2 120.960 126.648 -5.688 1
1 15 . 2 1 1 A 3 3 PRO HA H 3 4.550 4.354 0.196 1
1 22 . 2 1 1 A 4 4 ILE H H 4 8.210 7.818 0.392 1
1 23 . 2 1 1 A 4 4 ILE HA H 4 4.530 4.758 -0.228 1
1 33 . 2 1 1 A 4 4 ILE N N 4 114.990 117.171 -2.181 1
1 34 . 2 1 1 A 5 5 ASN H H 5 8.720 8.778 -0.058 1
1 35 . 2 1 1 A 5 5 ASN HA H 5 4.800 4.905 -0.105 1
1 40 . 2 1 1 A 5 5 ASN N N 5 120.960 122.065 -1.105 1
1 42 . 2 1 1 A 6 6 VAL H H 6 8.020 7.738 0.282 1
1 43 . 2 1 1 A 6 6 VAL HA H 6 4.200 4.590 -0.390 1
1 51 . 2 1 1 A 6 6 VAL N N 6 121.460 124.687 -3.227 1
1 52 . 2 1 1 A 7 7 SER H H 7 8.640 8.974 -0.334 1
1 53 . 2 1 1 A 7 7 SER HA H 7 5.080 4.930 0.150 1
1 56 . 2 1 1 A 7 7 SER N N 7 122.450 121.734 0.716 1
1 57 . 2 1 1 A 8 8 CYS H H 8 7.990 8.762 -0.772 1
1 58 . 2 1 1 A 8 8 CYS HA H 8 4.940 5.072 -0.132 1
1 61 . 2 1 1 A 8 8 CYS N N 8 114.990 123.596 -8.606 1
1 62 . 2 1 1 A 9 9 THR H H 9 9.330 8.657 0.673 1
1 63 . 2 1 1 A 9 9 THR HA H 9 4.470 4.608 -0.138 1
1 68 . 2 1 1 A 9 9 THR N N 9 108.530 117.092 -8.562 1
1 69 . 2 1 1 A 10 10 GLY H H 10 7.720 8.632 -0.912 1
1 70 . 2 1 1 A 10 10 GLY HA2 H 10 4.510 4.152 0.358 1
1 71 . 2 1 1 A 10 10 GLY HA3 H 10 4.070 4.153 -0.083 1
1 72 . 2 1 1 A 10 10 GLY N N 10 109.520 117.391 -7.871 1
1 73 . 2 1 1 A 11 11 SER H H 11 9.360 8.856 0.504 1
1 74 . 2 1 1 A 11 11 SER HA H 11 4.210 4.263 -0.053 1
1 76 . 2 1 1 A 11 11 SER N N 11 119.470 117.068 2.402 1
1 77 . 2 1 1 A 12 12 PRO HA H 12 4.360 4.323 0.037 1
1 84 . 2 1 1 A 13 13 GLN H H 13 7.330 8.342 -1.012 1
1 85 . 2 1 1 A 13 13 GLN HA H 13 4.220 3.954 0.266 1
1 92 . 2 1 1 A 13 13 GLN N N 13 112.500 116.255 -3.755 1
1 94 . 2 1 1 A 14 14 CYS H H 14 8.300 7.991 0.309 1
1 95 . 2 1 1 A 14 14 CYS HA H 14 4.800 4.493 0.307 1
1 98 . 2 1 1 A 14 14 CYS N N 14 112.500 117.583 -5.083 1
1 99 . 2 1 1 A 15 15 ILE H H 15 7.220 7.788 -0.568 1
1 100 . 2 1 1 A 15 15 ILE HA H 15 3.820 3.738 0.082 1
1 110 . 2 1 1 A 15 15 ILE N N 15 121.950 122.513 -0.563 1
1 111 . 2 1 1 A 16 16 LYS H H 16 9.020 8.338 0.682 1
1 112 . 2 1 1 A 16 16 LYS HA H 16 4.290 4.128 0.162 1
1 120 . 2 1 1 A 16 16 LYS N N 16 119.960 120.631 -0.671 1
1 121 . 2 1 1 A 17 17 PRO HA H 17 4.370 4.129 0.241 1
1 128 . 2 1 1 A 18 18 CYS H H 18 7.670 7.712 -0.042 1
1 129 . 2 1 1 A 18 18 CYS HA H 18 4.470 4.255 0.215 1
1 132 . 2 1 1 A 18 18 CYS N N 18 113.000 114.449 -1.449 1
1 133 . 2 1 1 A 19 19 LYS H H 19 8.100 7.710 0.390 1
1 134 . 2 1 1 A 19 19 LYS HA H 19 4.290 4.033 0.257 1
1 142 . 2 1 1 A 19 19 LYS N N 19 123.450 121.224 2.226 1
1 143 . 2 1 1 A 20 20 ASP H H 20 9.150 8.644 0.506 1
1 144 . 2 1 1 A 20 20 ASP HA H 20 4.390 4.320 0.070 1
1 147 . 2 1 1 A 20 20 ASP N N 20 122.450 116.865 5.585 1
1 148 . 2 1 1 A 21 21 ALA H H 21 7.380 7.434 -0.054 1
1 149 . 2 1 1 A 21 21 ALA HA H 21 4.480 4.084 0.396 1
1 153 . 2 1 1 A 21 21 ALA N N 21 119.470 119.919 -0.449 1
1 154 . 2 1 1 A 22 22 GLY H H 22 8.090 7.394 0.696 1
1 155 . 2 1 1 A 22 22 GLY HA2 H 22 4.160 4.083 0.077 1
1 156 . 2 1 1 A 22 22 GLY HA3 H 22 3.870 4.089 -0.219 1
1 157 . 2 1 1 A 22 22 GLY N N 22 106.540 104.309 2.231 1
1 158 . 2 1 1 A 23 23 MET H H 23 8.180 7.603 0.577 1
1 159 . 2 1 1 A 23 23 MET HA H 23 4.650 5.027 -0.377 1
1 167 . 2 1 1 A 23 23 MET N N 23 118.970 117.787 1.183 1
1 168 . 2 1 1 A 24 24 ARG H H 24 8.430 8.874 -0.444 1
1 169 . 2 1 1 A 24 24 ARG HA H 24 4.480 4.146 0.334 1
1 177 . 2 1 1 A 24 24 ARG N N 24 115.490 121.001 -5.511 1
1 178 . 2 1 1 A 25 25 PHE H H 25 8.200 7.748 0.452 1
1 179 . 2 1 1 A 25 25 PHE HA H 25 4.490 5.185 -0.695 1
1 182 . 2 1 1 A 25 25 PHE N N 25 114.490 114.714 -0.224 1
1 183 . 2 1 1 A 26 26 GLY H H 26 7.910 8.741 -0.831 1
1 184 . 2 1 1 A 26 26 GLY HA2 H 26 4.650 4.264 0.386 1
1 185 . 2 1 1 A 26 26 GLY HA3 H 26 3.820 4.278 -0.458 1
1 186 . 2 1 1 A 26 26 GLY N N 26 107.030 109.023 -1.993 1
1 187 . 2 1 1 A 27 27 LYS H H 27 8.800 8.743 0.057 1
1 188 . 2 1 1 A 27 27 LYS HA H 27 4.640 4.757 -0.117 1
1 194 . 2 1 1 A 27 27 LYS N N 27 121.950 125.110 -3.160 1
1 195 . 2 1 1 A 28 28 CYS H H 28 8.840 9.109 -0.269 1
1 196 . 2 1 1 A 28 28 CYS HA H 28 4.910 5.440 -0.530 1
1 199 . 2 1 1 A 28 28 CYS N N 28 125.430 124.709 0.721 1
1 200 . 2 1 1 A 29 29 MET H H 29 8.850 8.657 0.193 1
1 201 . 2 1 1 A 29 29 MET HA H 29 4.650 4.820 -0.170 1
1 209 . 2 1 1 A 29 29 MET N N 29 128.920 124.603 4.317 1
1 210 . 2 1 1 A 30 30 ASN H H 30 9.440 8.634 0.806 1
1 211 . 2 1 1 A 30 30 ASN HA H 30 4.340 4.492 -0.152 1
1 216 . 2 1 1 A 30 30 ASN N N 30 124.440 118.797 5.643 1
1 218 . 2 1 1 A 31 31 ARG H H 31 8.580 8.928 -0.348 1
1 219 . 2 1 1 A 31 31 ARG HA H 31 4.100 3.829 0.271 1
1 227 . 2 1 1 A 31 31 ARG N N 31 106.040 121.840 -15.800 1
1 228 . 2 1 1 A 32 32 LYS H H 32 7.840 7.363 0.477 1
1 229 . 2 1 1 A 32 32 LYS HA H 32 5.320 4.575 0.745 1
1 238 . 2 1 1 A 32 32 LYS N N 32 118.970 117.642 1.328 1
1 239 . 2 1 1 A 33 33 CYS H H 33 8.610 8.183 0.427 1
1 240 . 2 1 1 A 33 33 CYS HA H 33 5.090 4.746 0.344 1
1 243 . 2 1 1 A 33 33 CYS N N 33 121.460 123.252 -1.792 1
1 244 . 2 1 1 A 34 34 HIS H H 34 9.490 8.770 0.720 1
1 245 . 2 1 1 A 34 34 HIS HA H 34 5.210 5.007 0.203 1
1 250 . 2 1 1 A 34 34 HIS N N 34 120.460 119.925 0.535 1
1 251 . 2 1 1 A 35 35 CYS H H 35 9.180 8.455 0.725 1
1 252 . 2 1 1 A 35 35 CYS HA H 35 5.330 4.981 0.349 1
1 255 . 2 1 1 A 35 35 CYS N N 35 120.460 122.901 -2.441 1
1 256 . 2 1 1 A 36 36 THR H H 36 8.800 8.629 0.171 1
1 257 . 2 1 1 A 36 36 THR HA H 36 4.980 4.813 0.167 1
1 260 . 2 1 1 A 36 36 THR N N 36 117.980 118.810 -0.830 1
1 261 . 2 1 1 A 37 37 PRO HA H 37 4.470 4.620 -0.150 1
1 5 . 3 1 1 A 2 2 VAL H H 2 8.950 7.850 1.100 1
1 6 . 3 1 1 A 2 2 VAL HA H 2 4.590 4.371 0.219 1
1 14 . 3 1 1 A 2 2 VAL N N 2 120.960 122.596 -1.636 1
1 15 . 3 1 1 A 3 3 PRO HA H 3 4.550 4.337 0.213 1
1 22 . 3 1 1 A 4 4 ILE H H 4 8.210 8.033 0.177 1
1 23 . 3 1 1 A 4 4 ILE HA H 4 4.530 4.893 -0.363 1
1 33 . 3 1 1 A 4 4 ILE N N 4 114.990 116.908 -1.918 1
1 34 . 3 1 1 A 5 5 ASN H H 5 8.720 8.779 -0.059 1
1 35 . 3 1 1 A 5 5 ASN HA H 5 4.800 4.973 -0.173 1
1 40 . 3 1 1 A 5 5 ASN N N 5 120.960 121.955 -0.995 1
1 42 . 3 1 1 A 6 6 VAL H H 6 8.020 7.769 0.251 1
1 43 . 3 1 1 A 6 6 VAL HA H 6 4.200 4.560 -0.360 1
1 51 . 3 1 1 A 6 6 VAL N N 6 121.460 125.121 -3.661 1
1 52 . 3 1 1 A 7 7 SER H H 7 8.640 8.994 -0.354 1
1 53 . 3 1 1 A 7 7 SER HA H 7 5.080 4.807 0.273 1
1 56 . 3 1 1 A 7 7 SER N N 7 122.450 121.829 0.621 1
1 57 . 3 1 1 A 8 8 CYS H H 8 7.990 8.846 -0.856 1
1 58 . 3 1 1 A 8 8 CYS HA H 8 4.940 5.154 -0.214 1
1 61 . 3 1 1 A 8 8 CYS N N 8 114.990 123.447 -8.457 1
1 62 . 3 1 1 A 9 9 THR H H 9 9.330 8.676 0.654 1
1 63 . 3 1 1 A 9 9 THR HA H 9 4.470 4.611 -0.141 1
1 68 . 3 1 1 A 9 9 THR N N 9 108.530 117.373 -8.843 1
1 69 . 3 1 1 A 10 10 GLY H H 10 7.720 8.576 -0.856 1
1 70 . 3 1 1 A 10 10 GLY HA2 H 10 4.510 4.155 0.355 1
1 71 . 3 1 1 A 10 10 GLY HA3 H 10 4.070 4.155 -0.085 1
1 72 . 3 1 1 A 10 10 GLY N N 10 109.520 117.367 -7.847 1
1 73 . 3 1 1 A 11 11 SER H H 11 9.360 8.871 0.489 1
1 74 . 3 1 1 A 11 11 SER HA H 11 4.210 4.276 -0.066 1
1 76 . 3 1 1 A 11 11 SER N N 11 119.470 117.048 2.422 1
1 77 . 3 1 1 A 12 12 PRO HA H 12 4.360 4.334 0.026 1
1 84 . 3 1 1 A 13 13 GLN H H 13 7.330 8.341 -1.011 1
1 85 . 3 1 1 A 13 13 GLN HA H 13 4.220 3.989 0.231 1
1 92 . 3 1 1 A 13 13 GLN N N 13 112.500 116.075 -3.575 1
1 94 . 3 1 1 A 14 14 CYS H H 14 8.300 7.914 0.386 1
1 95 . 3 1 1 A 14 14 CYS HA H 14 4.800 4.523 0.277 1
1 98 . 3 1 1 A 14 14 CYS N N 14 112.500 117.660 -5.160 1
1 99 . 3 1 1 A 15 15 ILE H H 15 7.220 7.758 -0.538 1
1 100 . 3 1 1 A 15 15 ILE HA H 15 3.820 3.703 0.117 1
1 110 . 3 1 1 A 15 15 ILE N N 15 121.950 122.490 -0.540 1
1 111 . 3 1 1 A 16 16 LYS H H 16 9.020 8.387 0.633 1
1 112 . 3 1 1 A 16 16 LYS HA H 16 4.290 4.126 0.164 1
1 120 . 3 1 1 A 16 16 LYS N N 16 119.960 120.514 -0.554 1
1 121 . 3 1 1 A 17 17 PRO HA H 17 4.370 4.156 0.214 1
1 128 . 3 1 1 A 18 18 CYS H H 18 7.670 7.669 0.001 1
1 129 . 3 1 1 A 18 18 CYS HA H 18 4.470 4.268 0.202 1
1 132 . 3 1 1 A 18 18 CYS N N 18 113.000 114.570 -1.570 1
1 133 . 3 1 1 A 19 19 LYS H H 19 8.100 7.729 0.371 1
1 134 . 3 1 1 A 19 19 LYS HA H 19 4.290 3.911 0.379 1
1 142 . 3 1 1 A 19 19 LYS N N 19 123.450 121.508 1.942 1
1 143 . 3 1 1 A 20 20 ASP H H 20 9.150 8.493 0.657 1
1 144 . 3 1 1 A 20 20 ASP HA H 20 4.390 4.282 0.108 1
1 147 . 3 1 1 A 20 20 ASP N N 20 122.450 119.854 2.596 1
1 148 . 3 1 1 A 21 21 ALA H H 21 7.380 7.385 -0.005 1
1 149 . 3 1 1 A 21 21 ALA HA H 21 4.480 4.133 0.347 1
1 153 . 3 1 1 A 21 21 ALA N N 21 119.470 119.254 0.216 1
1 154 . 3 1 1 A 22 22 GLY H H 22 8.090 7.682 0.408 1
1 155 . 3 1 1 A 22 22 GLY HA2 H 22 4.160 4.037 0.123 1
1 156 . 3 1 1 A 22 22 GLY HA3 H 22 3.870 4.043 -0.173 1
1 157 . 3 1 1 A 22 22 GLY N N 22 106.540 105.467 1.073 1
1 158 . 3 1 1 A 23 23 MET H H 23 8.180 7.643 0.537 1
1 159 . 3 1 1 A 23 23 MET HA H 23 4.650 5.053 -0.403 1
1 167 . 3 1 1 A 23 23 MET N N 23 118.970 118.404 0.566 1
1 168 . 3 1 1 A 24 24 ARG H H 24 8.430 8.847 -0.417 1
1 169 . 3 1 1 A 24 24 ARG HA H 24 4.480 4.129 0.351 1
1 177 . 3 1 1 A 24 24 ARG N N 24 115.490 121.737 -6.247 1
1 178 . 3 1 1 A 25 25 PHE H H 25 8.200 7.799 0.401 1
1 179 . 3 1 1 A 25 25 PHE HA H 25 4.490 5.060 -0.570 1
1 182 . 3 1 1 A 25 25 PHE N N 25 114.490 115.167 -0.677 1
1 183 . 3 1 1 A 26 26 GLY H H 26 7.910 8.751 -0.841 1
1 184 . 3 1 1 A 26 26 GLY HA2 H 26 4.650 4.278 0.372 1
1 185 . 3 1 1 A 26 26 GLY HA3 H 26 3.820 4.292 -0.472 1
1 186 . 3 1 1 A 26 26 GLY N N 26 107.030 109.222 -2.192 1
1 187 . 3 1 1 A 27 27 LYS H H 27 8.800 8.911 -0.111 1
1 188 . 3 1 1 A 27 27 LYS HA H 27 4.640 5.025 -0.385 1
1 194 . 3 1 1 A 27 27 LYS N N 27 121.950 125.776 -3.826 1
1 195 . 3 1 1 A 28 28 CYS H H 28 8.840 9.171 -0.331 1
1 196 . 3 1 1 A 28 28 CYS HA H 28 4.910 5.455 -0.545 1
1 199 . 3 1 1 A 28 28 CYS N N 28 125.430 126.677 -1.247 1
1 200 . 3 1 1 A 29 29 MET H H 29 8.850 8.491 0.359 1
1 201 . 3 1 1 A 29 29 MET HA H 29 4.650 4.758 -0.108 1
1 209 . 3 1 1 A 29 29 MET N N 29 128.920 124.964 3.956 1
1 210 . 3 1 1 A 30 30 ASN H H 30 9.440 8.621 0.819 1
1 211 . 3 1 1 A 30 30 ASN HA H 30 4.340 4.486 -0.146 1
1 216 . 3 1 1 A 30 30 ASN N N 30 124.440 118.624 5.816 1
1 218 . 3 1 1 A 31 31 ARG H H 31 8.580 8.930 -0.350 1
1 219 . 3 1 1 A 31 31 ARG HA H 31 4.100 3.866 0.234 1
1 227 . 3 1 1 A 31 31 ARG N N 31 106.040 121.867 -15.827 1
1 228 . 3 1 1 A 32 32 LYS H H 32 7.840 7.371 0.469 1
1 229 . 3 1 1 A 32 32 LYS HA H 32 5.320 4.621 0.699 1
1 238 . 3 1 1 A 32 32 LYS N N 32 118.970 117.798 1.172 1
1 239 . 3 1 1 A 33 33 CYS H H 33 8.610 8.377 0.233 1
1 240 . 3 1 1 A 33 33 CYS HA H 33 5.090 4.717 0.373 1
1 243 . 3 1 1 A 33 33 CYS N N 33 121.460 123.429 -1.969 1
1 244 . 3 1 1 A 34 34 HIS H H 34 9.490 8.875 0.615 1
1 245 . 3 1 1 A 34 34 HIS HA H 34 5.210 5.002 0.208 1
1 250 . 3 1 1 A 34 34 HIS N N 34 120.460 120.244 0.216 1
1 251 . 3 1 1 A 35 35 CYS H H 35 9.180 8.285 0.895 1
1 252 . 3 1 1 A 35 35 CYS HA H 35 5.330 5.194 0.136 1
1 255 . 3 1 1 A 35 35 CYS N N 35 120.460 122.935 -2.475 1
1 256 . 3 1 1 A 36 36 THR H H 36 8.800 8.526 0.274 1
1 257 . 3 1 1 A 36 36 THR HA H 36 4.980 4.741 0.239 1
1 260 . 3 1 1 A 36 36 THR N N 36 117.980 121.080 -3.100 1
1 261 . 3 1 1 A 37 37 PRO HA H 37 4.470 4.686 -0.216 1
1 5 . 4 1 1 A 2 2 VAL H H 2 8.950 9.119 -0.169 1
1 6 . 4 1 1 A 2 2 VAL HA H 2 4.590 4.562 0.028 1
1 14 . 4 1 1 A 2 2 VAL N N 2 120.960 126.423 -5.463 1
1 15 . 4 1 1 A 3 3 PRO HA H 3 4.550 4.423 0.127 1
1 22 . 4 1 1 A 4 4 ILE H H 4 8.210 7.794 0.416 1
1 23 . 4 1 1 A 4 4 ILE HA H 4 4.530 4.507 0.023 1
1 33 . 4 1 1 A 4 4 ILE N N 4 114.990 117.760 -2.770 1
1 34 . 4 1 1 A 5 5 ASN H H 5 8.720 8.665 0.055 1
1 35 . 4 1 1 A 5 5 ASN HA H 5 4.800 4.927 -0.127 1
1 40 . 4 1 1 A 5 5 ASN N N 5 120.960 121.361 -0.401 1
1 42 . 4 1 1 A 6 6 VAL H H 6 8.020 7.741 0.279 1
1 43 . 4 1 1 A 6 6 VAL HA H 6 4.200 4.586 -0.386 1
1 51 . 4 1 1 A 6 6 VAL N N 6 121.460 124.733 -3.273 1
1 52 . 4 1 1 A 7 7 SER H H 7 8.640 8.985 -0.345 1
1 53 . 4 1 1 A 7 7 SER HA H 7 5.080 4.937 0.143 1
1 56 . 4 1 1 A 7 7 SER N N 7 122.450 121.840 0.610 1
1 57 . 4 1 1 A 8 8 CYS H H 8 7.990 8.836 -0.846 1
1 58 . 4 1 1 A 8 8 CYS HA H 8 4.940 5.182 -0.242 1
1 61 . 4 1 1 A 8 8 CYS N N 8 114.990 123.416 -8.426 1
1 62 . 4 1 1 A 9 9 THR H H 9 9.330 8.544 0.786 1
1 63 . 4 1 1 A 9 9 THR HA H 9 4.470 4.597 -0.127 1
1 68 . 4 1 1 A 9 9 THR N N 9 108.530 117.372 -8.842 1
1 69 . 4 1 1 A 10 10 GLY H H 10 7.720 7.558 0.162 1
1 70 . 4 1 1 A 10 10 GLY HA2 H 10 4.510 4.161 0.349 1
1 71 . 4 1 1 A 10 10 GLY HA3 H 10 4.070 4.161 -0.091 1
1 72 . 4 1 1 A 10 10 GLY N N 10 109.520 115.075 -5.555 1
1 73 . 4 1 1 A 11 11 SER H H 11 9.360 8.942 0.418 1
1 74 . 4 1 1 A 11 11 SER HA H 11 4.210 4.272 -0.062 1
1 76 . 4 1 1 A 11 11 SER N N 11 119.470 116.964 2.506 1
1 77 . 4 1 1 A 12 12 PRO HA H 12 4.360 4.315 0.045 1
1 84 . 4 1 1 A 13 13 GLN H H 13 7.330 8.327 -0.997 1
1 85 . 4 1 1 A 13 13 GLN HA H 13 4.220 3.969 0.251 1
1 92 . 4 1 1 A 13 13 GLN N N 13 112.500 116.129 -3.629 1
1 94 . 4 1 1 A 14 14 CYS H H 14 8.300 7.945 0.355 1
1 95 . 4 1 1 A 14 14 CYS HA H 14 4.800 4.516 0.284 1
1 98 . 4 1 1 A 14 14 CYS N N 14 112.500 117.629 -5.129 1
1 99 . 4 1 1 A 15 15 ILE H H 15 7.220 7.721 -0.501 1
1 100 . 4 1 1 A 15 15 ILE HA H 15 3.820 3.771 0.049 1
1 110 . 4 1 1 A 15 15 ILE N N 15 121.950 122.490 -0.540 1
1 111 . 4 1 1 A 16 16 LYS H H 16 9.020 7.958 1.062 1
1 112 . 4 1 1 A 16 16 LYS HA H 16 4.290 4.107 0.183 1
1 120 . 4 1 1 A 16 16 LYS N N 16 119.960 119.252 0.708 1
1 121 . 4 1 1 A 17 17 PRO HA H 17 4.370 4.177 0.193 1
1 128 . 4 1 1 A 18 18 CYS H H 18 7.670 7.638 0.032 1
1 129 . 4 1 1 A 18 18 CYS HA H 18 4.470 4.273 0.197 1
1 132 . 4 1 1 A 18 18 CYS N N 18 113.000 114.589 -1.589 1
1 133 . 4 1 1 A 19 19 LYS H H 19 8.100 7.908 0.192 1
1 134 . 4 1 1 A 19 19 LYS HA H 19 4.290 3.966 0.324 1
1 142 . 4 1 1 A 19 19 LYS N N 19 123.450 121.342 2.108 1
1 143 . 4 1 1 A 20 20 ASP H H 20 9.150 8.464 0.686 1
1 144 . 4 1 1 A 20 20 ASP HA H 20 4.390 4.305 0.085 1
1 147 . 4 1 1 A 20 20 ASP N N 20 122.450 119.768 2.682 1
1 148 . 4 1 1 A 21 21 ALA H H 21 7.380 7.431 -0.051 1
1 149 . 4 1 1 A 21 21 ALA HA H 21 4.480 4.117 0.363 1
1 153 . 4 1 1 A 21 21 ALA N N 21 119.470 119.406 0.064 1
1 154 . 4 1 1 A 22 22 GLY H H 22 8.090 7.563 0.527 1
1 155 . 4 1 1 A 22 22 GLY HA2 H 22 4.160 4.054 0.106 1
1 156 . 4 1 1 A 22 22 GLY HA3 H 22 3.870 4.056 -0.186 1
1 157 . 4 1 1 A 22 22 GLY N N 22 106.540 104.947 1.593 1
1 158 . 4 1 1 A 23 23 MET H H 23 8.180 7.536 0.644 1
1 159 . 4 1 1 A 23 23 MET HA H 23 4.650 5.059 -0.409 1
1 167 . 4 1 1 A 23 23 MET N N 23 118.970 118.622 0.348 1
1 168 . 4 1 1 A 24 24 ARG H H 24 8.430 8.634 -0.204 1
1 169 . 4 1 1 A 24 24 ARG HA H 24 4.480 4.131 0.349 1
1 177 . 4 1 1 A 24 24 ARG N N 24 115.490 122.553 -7.063 1
1 178 . 4 1 1 A 25 25 PHE H H 25 8.200 7.381 0.819 1
1 179 . 4 1 1 A 25 25 PHE HA H 25 4.490 4.766 -0.276 1
1 182 . 4 1 1 A 25 25 PHE N N 25 114.490 116.063 -1.573 1
1 183 . 4 1 1 A 26 26 GLY H H 26 7.910 8.798 -0.888 1
1 184 . 4 1 1 A 26 26 GLY HA2 H 26 4.650 4.270 0.380 1
1 185 . 4 1 1 A 26 26 GLY HA3 H 26 3.820 4.282 -0.462 1
1 186 . 4 1 1 A 26 26 GLY N N 26 107.030 109.017 -1.987 1
1 187 . 4 1 1 A 27 27 LYS H H 27 8.800 8.733 0.067 1
1 188 . 4 1 1 A 27 27 LYS HA H 27 4.640 4.770 -0.130 1
1 194 . 4 1 1 A 27 27 LYS N N 27 121.950 125.019 -3.069 1
1 195 . 4 1 1 A 28 28 CYS H H 28 8.840 9.122 -0.282 1
1 196 . 4 1 1 A 28 28 CYS HA H 28 4.910 5.433 -0.523 1
1 199 . 4 1 1 A 28 28 CYS N N 28 125.430 124.805 0.625 1
1 200 . 4 1 1 A 29 29 MET H H 29 8.850 8.592 0.258 1
1 201 . 4 1 1 A 29 29 MET HA H 29 4.650 4.704 -0.054 1
1 209 . 4 1 1 A 29 29 MET N N 29 128.920 124.969 3.951 1
1 210 . 4 1 1 A 30 30 ASN H H 30 9.440 8.620 0.820 1
1 211 . 4 1 1 A 30 30 ASN HA H 30 4.340 4.485 -0.145 1
1 216 . 4 1 1 A 30 30 ASN N N 30 124.440 118.824 5.616 1
1 218 . 4 1 1 A 31 31 ARG H H 31 8.580 8.928 -0.348 1
1 219 . 4 1 1 A 31 31 ARG HA H 31 4.100 3.836 0.264 1
1 227 . 4 1 1 A 31 31 ARG N N 31 106.040 121.863 -15.823 1
1 228 . 4 1 1 A 32 32 LYS H H 32 7.840 7.376 0.464 1
1 229 . 4 1 1 A 32 32 LYS HA H 32 5.320 4.595 0.725 1
1 238 . 4 1 1 A 32 32 LYS N N 32 118.970 117.637 1.333 1
1 239 . 4 1 1 A 33 33 CYS H H 33 8.610 8.254 0.356 1
1 240 . 4 1 1 A 33 33 CYS HA H 33 5.090 4.853 0.237 1
1 243 . 4 1 1 A 33 33 CYS N N 33 121.460 123.467 -2.007 1
1 244 . 4 1 1 A 34 34 HIS H H 34 9.490 8.794 0.696 1
1 245 . 4 1 1 A 34 34 HIS HA H 34 5.210 5.081 0.129 1
1 250 . 4 1 1 A 34 34 HIS N N 34 120.460 120.429 0.031 1
1 251 . 4 1 1 A 35 35 CYS H H 35 9.180 8.420 0.760 1
1 252 . 4 1 1 A 35 35 CYS HA H 35 5.330 5.006 0.324 1
1 255 . 4 1 1 A 35 35 CYS N N 35 120.460 122.808 -2.348 1
1 256 . 4 1 1 A 36 36 THR H H 36 8.800 8.549 0.251 1
1 257 . 4 1 1 A 36 36 THR HA H 36 4.980 4.791 0.189 1
1 260 . 4 1 1 A 36 36 THR N N 36 117.980 118.862 -0.882 1
1 261 . 4 1 1 A 37 37 PRO HA H 37 4.470 4.623 -0.153 1
1 5 . 5 1 1 A 2 2 VAL H H 2 8.950 7.908 1.042 1
1 6 . 5 1 1 A 2 2 VAL HA H 2 4.590 4.334 0.256 1
1 14 . 5 1 1 A 2 2 VAL N N 2 120.960 123.136 -2.176 1
1 15 . 5 1 1 A 3 3 PRO HA H 3 4.550 4.296 0.254 1
1 22 . 5 1 1 A 4 4 ILE H H 4 8.210 7.971 0.239 1
1 23 . 5 1 1 A 4 4 ILE HA H 4 4.530 4.908 -0.378 1
1 33 . 5 1 1 A 4 4 ILE N N 4 114.990 116.755 -1.765 1
1 34 . 5 1 1 A 5 5 ASN H H 5 8.720 8.789 -0.069 1
1 35 . 5 1 1 A 5 5 ASN HA H 5 4.800 5.023 -0.223 1
1 40 . 5 1 1 A 5 5 ASN N N 5 120.960 121.876 -0.916 1
1 42 . 5 1 1 A 6 6 VAL H H 6 8.020 7.776 0.244 1
1 43 . 5 1 1 A 6 6 VAL HA H 6 4.200 4.570 -0.370 1
1 51 . 5 1 1 A 6 6 VAL N N 6 121.460 124.863 -3.403 1
1 52 . 5 1 1 A 7 7 SER H H 7 8.640 8.975 -0.335 1
1 53 . 5 1 1 A 7 7 SER HA H 7 5.080 4.951 0.129 1
1 56 . 5 1 1 A 7 7 SER N N 7 122.450 121.487 0.963 1
1 57 . 5 1 1 A 8 8 CYS H H 8 7.990 8.633 -0.643 1
1 58 . 5 1 1 A 8 8 CYS HA H 8 4.940 5.010 -0.070 1
1 61 . 5 1 1 A 8 8 CYS N N 8 114.990 123.548 -8.558 1
1 62 . 5 1 1 A 9 9 THR H H 9 9.330 8.925 0.405 1
1 63 . 5 1 1 A 9 9 THR HA H 9 4.470 4.404 0.066 1
1 68 . 5 1 1 A 9 9 THR N N 9 108.530 119.228 -10.698 1
1 69 . 5 1 1 A 10 10 GLY H H 10 7.720 7.842 -0.122 1
1 70 . 5 1 1 A 10 10 GLY HA2 H 10 4.510 4.098 0.412 1
1 71 . 5 1 1 A 10 10 GLY HA3 H 10 4.070 4.099 -0.029 1
1 72 . 5 1 1 A 10 10 GLY N N 10 109.520 107.510 2.010 1
1 73 . 5 1 1 A 11 11 SER H H 11 9.360 8.972 0.388 1
1 74 . 5 1 1 A 11 11 SER HA H 11 4.210 4.245 -0.035 1
1 76 . 5 1 1 A 11 11 SER N N 11 119.470 114.418 5.052 1
1 77 . 5 1 1 A 12 12 PRO HA H 12 4.360 4.331 0.029 1
1 84 . 5 1 1 A 13 13 GLN H H 13 7.330 8.342 -1.012 1
1 85 . 5 1 1 A 13 13 GLN HA H 13 4.220 3.958 0.262 1
1 92 . 5 1 1 A 13 13 GLN N N 13 112.500 116.226 -3.726 1
1 94 . 5 1 1 A 14 14 CYS H H 14 8.300 7.914 0.386 1
1 95 . 5 1 1 A 14 14 CYS HA H 14 4.800 4.516 0.284 1
1 98 . 5 1 1 A 14 14 CYS N N 14 112.500 117.568 -5.068 1
1 99 . 5 1 1 A 15 15 ILE H H 15 7.220 7.739 -0.519 1
1 100 . 5 1 1 A 15 15 ILE HA H 15 3.820 3.713 0.107 1
1 110 . 5 1 1 A 15 15 ILE N N 15 121.950 122.702 -0.752 1
1 111 . 5 1 1 A 16 16 LYS H H 16 9.020 8.369 0.651 1
1 112 . 5 1 1 A 16 16 LYS HA H 16 4.290 4.134 0.156 1
1 120 . 5 1 1 A 16 16 LYS N N 16 119.960 120.494 -0.534 1
1 121 . 5 1 1 A 17 17 PRO HA H 17 4.370 4.164 0.206 1
1 128 . 5 1 1 A 18 18 CYS H H 18 7.670 7.665 0.005 1
1 129 . 5 1 1 A 18 18 CYS HA H 18 4.470 4.265 0.205 1
1 132 . 5 1 1 A 18 18 CYS N N 18 113.000 114.582 -1.582 1
1 133 . 5 1 1 A 19 19 LYS H H 19 8.100 7.721 0.379 1
1 134 . 5 1 1 A 19 19 LYS HA H 19 4.290 3.892 0.398 1
1 142 . 5 1 1 A 19 19 LYS N N 19 123.450 121.512 1.938 1
1 143 . 5 1 1 A 20 20 ASP H H 20 9.150 8.450 0.700 1
1 144 . 5 1 1 A 20 20 ASP HA H 20 4.390 4.280 0.110 1
1 147 . 5 1 1 A 20 20 ASP N N 20 122.450 119.814 2.636 1
1 148 . 5 1 1 A 21 21 ALA H H 21 7.380 7.394 -0.014 1
1 149 . 5 1 1 A 21 21 ALA HA H 21 4.480 4.133 0.347 1
1 153 . 5 1 1 A 21 21 ALA N N 21 119.470 119.356 0.114 1
1 154 . 5 1 1 A 22 22 GLY H H 22 8.090 7.657 0.433 1
1 155 . 5 1 1 A 22 22 GLY HA2 H 22 4.160 4.036 0.124 1
1 156 . 5 1 1 A 22 22 GLY HA3 H 22 3.870 4.041 -0.171 1
1 157 . 5 1 1 A 22 22 GLY N N 22 106.540 105.479 1.061 1
1 158 . 5 1 1 A 23 23 MET H H 23 8.180 7.498 0.682 1
1 159 . 5 1 1 A 23 23 MET HA H 23 4.650 4.997 -0.347 1
1 167 . 5 1 1 A 23 23 MET N N 23 118.970 118.606 0.364 1
1 168 . 5 1 1 A 24 24 ARG H H 24 8.430 8.832 -0.402 1
1 169 . 5 1 1 A 24 24 ARG HA H 24 4.480 4.101 0.379 1
1 177 . 5 1 1 A 24 24 ARG N N 24 115.490 121.551 -6.061 1
1 178 . 5 1 1 A 25 25 PHE H H 25 8.200 7.699 0.501 1
1 179 . 5 1 1 A 25 25 PHE HA H 25 4.490 5.274 -0.784 1
1 182 . 5 1 1 A 25 25 PHE N N 25 114.490 114.639 -0.149 1
1 183 . 5 1 1 A 26 26 GLY H H 26 7.910 8.791 -0.881 1
1 184 . 5 1 1 A 26 26 GLY HA2 H 26 4.650 4.225 0.425 1
1 185 . 5 1 1 A 26 26 GLY HA3 H 26 3.820 4.236 -0.416 1
1 186 . 5 1 1 A 26 26 GLY N N 26 107.030 109.366 -2.336 1
1 187 . 5 1 1 A 27 27 LYS H H 27 8.800 8.727 0.073 1
1 188 . 5 1 1 A 27 27 LYS HA H 27 4.640 4.833 -0.193 1
1 194 . 5 1 1 A 27 27 LYS N N 27 121.950 124.982 -3.032 1
1 195 . 5 1 1 A 28 28 CYS H H 28 8.840 9.192 -0.352 1
1 196 . 5 1 1 A 28 28 CYS HA H 28 4.910 5.430 -0.520 1
1 199 . 5 1 1 A 28 28 CYS N N 28 125.430 124.818 0.612 1
1 200 . 5 1 1 A 29 29 MET H H 29 8.850 8.569 0.281 1
1 201 . 5 1 1 A 29 29 MET HA H 29 4.650 4.705 -0.055 1
1 209 . 5 1 1 A 29 29 MET N N 29 128.920 125.221 3.699 1
1 210 . 5 1 1 A 30 30 ASN H H 30 9.440 8.635 0.805 1
1 211 . 5 1 1 A 30 30 ASN HA H 30 4.340 4.490 -0.150 1
1 216 . 5 1 1 A 30 30 ASN N N 30 124.440 118.963 5.477 1
1 218 . 5 1 1 A 31 31 ARG H H 31 8.580 8.928 -0.348 1
1 219 . 5 1 1 A 31 31 ARG HA H 31 4.100 3.932 0.168 1
1 227 . 5 1 1 A 31 31 ARG N N 31 106.040 121.655 -15.615 1
1 228 . 5 1 1 A 32 32 LYS H H 32 7.840 7.366 0.474 1
1 229 . 5 1 1 A 32 32 LYS HA H 32 5.320 4.573 0.747 1
1 238 . 5 1 1 A 32 32 LYS N N 32 118.970 117.792 1.178 1
1 239 . 5 1 1 A 33 33 CYS H H 33 8.610 8.301 0.309 1
1 240 . 5 1 1 A 33 33 CYS HA H 33 5.090 4.830 0.260 1
1 243 . 5 1 1 A 33 33 CYS N N 33 121.460 123.380 -1.920 1
1 244 . 5 1 1 A 34 34 HIS H H 34 9.490 8.835 0.655 1
1 245 . 5 1 1 A 34 34 HIS HA H 34 5.210 5.022 0.188 1
1 250 . 5 1 1 A 34 34 HIS N N 34 120.460 119.780 0.680 1
1 251 . 5 1 1 A 35 35 CYS H H 35 9.180 8.311 0.869 1
1 252 . 5 1 1 A 35 35 CYS HA H 35 5.330 5.201 0.129 1
1 255 . 5 1 1 A 35 35 CYS N N 35 120.460 122.623 -2.163 1
1 256 . 5 1 1 A 36 36 THR H H 36 8.800 8.533 0.267 1
1 257 . 5 1 1 A 36 36 THR HA H 36 4.980 4.731 0.249 1
1 260 . 5 1 1 A 36 36 THR N N 36 117.980 121.243 -3.263 1
1 261 . 5 1 1 A 37 37 PRO HA H 37 4.470 4.644 -0.174 1
1 5 . 6 1 1 A 2 2 VAL H H 2 8.950 8.904 0.046 1
1 6 . 6 1 1 A 2 2 VAL HA H 2 4.590 4.555 0.035 1
1 14 . 6 1 1 A 2 2 VAL N N 2 120.960 126.893 -5.933 1
1 15 . 6 1 1 A 3 3 PRO HA H 3 4.550 4.344 0.206 1
1 22 . 6 1 1 A 4 4 ILE H H 4 8.210 7.854 0.356 1
1 23 . 6 1 1 A 4 4 ILE HA H 4 4.530 4.412 0.118 1
1 33 . 6 1 1 A 4 4 ILE N N 4 114.990 117.759 -2.769 1
1 34 . 6 1 1 A 5 5 ASN H H 5 8.720 8.668 0.052 1
1 35 . 6 1 1 A 5 5 ASN HA H 5 4.800 4.951 -0.151 1
1 40 . 6 1 1 A 5 5 ASN N N 5 120.960 121.923 -0.963 1
1 42 . 6 1 1 A 6 6 VAL H H 6 8.020 7.739 0.281 1
1 43 . 6 1 1 A 6 6 VAL HA H 6 4.200 4.602 -0.402 1
1 51 . 6 1 1 A 6 6 VAL N N 6 121.460 124.691 -3.231 1
1 52 . 6 1 1 A 7 7 SER H H 7 8.640 8.984 -0.344 1
1 53 . 6 1 1 A 7 7 SER HA H 7 5.080 4.943 0.137 1
1 56 . 6 1 1 A 7 7 SER N N 7 122.450 121.839 0.611 1
1 57 . 6 1 1 A 8 8 CYS H H 8 7.990 8.668 -0.678 1
1 58 . 6 1 1 A 8 8 CYS HA H 8 4.940 5.126 -0.186 1
1 61 . 6 1 1 A 8 8 CYS N N 8 114.990 123.620 -8.630 1
1 62 . 6 1 1 A 9 9 THR H H 9 9.330 8.653 0.677 1
1 63 . 6 1 1 A 9 9 THR HA H 9 4.470 4.638 -0.168 1
1 68 . 6 1 1 A 9 9 THR N N 9 108.530 117.065 -8.535 1
1 69 . 6 1 1 A 10 10 GLY H H 10 7.720 8.511 -0.791 1
1 70 . 6 1 1 A 10 10 GLY HA2 H 10 4.510 4.184 0.326 1
1 71 . 6 1 1 A 10 10 GLY HA3 H 10 4.070 4.184 -0.114 1
1 72 . 6 1 1 A 10 10 GLY N N 10 109.520 117.316 -7.796 1
1 73 . 6 1 1 A 11 11 SER H H 11 9.360 8.910 0.450 1
1 74 . 6 1 1 A 11 11 SER HA H 11 4.210 4.307 -0.097 1
1 76 . 6 1 1 A 11 11 SER N N 11 119.470 117.137 2.333 1
1 77 . 6 1 1 A 12 12 PRO HA H 12 4.360 4.316 0.044 1
1 84 . 6 1 1 A 13 13 GLN H H 13 7.330 8.330 -1.000 1
1 85 . 6 1 1 A 13 13 GLN HA H 13 4.220 3.978 0.242 1
1 92 . 6 1 1 A 13 13 GLN N N 13 112.500 116.073 -3.573 1
1 94 . 6 1 1 A 14 14 CYS H H 14 8.300 7.878 0.422 1
1 95 . 6 1 1 A 14 14 CYS HA H 14 4.800 4.454 0.346 1
1 98 . 6 1 1 A 14 14 CYS N N 14 112.500 117.659 -5.159 1
1 99 . 6 1 1 A 15 15 ILE H H 15 7.220 7.476 -0.256 1
1 100 . 6 1 1 A 15 15 ILE HA H 15 3.820 3.714 0.106 1
1 110 . 6 1 1 A 15 15 ILE N N 15 121.950 122.588 -0.638 1
1 111 . 6 1 1 A 16 16 LYS H H 16 9.020 8.348 0.672 1
1 112 . 6 1 1 A 16 16 LYS HA H 16 4.290 4.145 0.145 1
1 120 . 6 1 1 A 16 16 LYS N N 16 119.960 120.851 -0.891 1
1 121 . 6 1 1 A 17 17 PRO HA H 17 4.370 4.181 0.189 1
1 128 . 6 1 1 A 18 18 CYS H H 18 7.670 7.653 0.017 1
1 129 . 6 1 1 A 18 18 CYS HA H 18 4.470 4.268 0.202 1
1 132 . 6 1 1 A 18 18 CYS N N 18 113.000 114.577 -1.577 1
1 133 . 6 1 1 A 19 19 LYS H H 19 8.100 7.887 0.213 1
1 134 . 6 1 1 A 19 19 LYS HA H 19 4.290 3.987 0.303 1
1 142 . 6 1 1 A 19 19 LYS N N 19 123.450 121.318 2.132 1
1 143 . 6 1 1 A 20 20 ASP H H 20 9.150 8.453 0.697 1
1 144 . 6 1 1 A 20 20 ASP HA H 20 4.390 4.292 0.098 1
1 147 . 6 1 1 A 20 20 ASP N N 20 122.450 119.864 2.586 1
1 148 . 6 1 1 A 21 21 ALA H H 21 7.380 7.426 -0.046 1
1 149 . 6 1 1 A 21 21 ALA HA H 21 4.480 4.120 0.360 1
1 153 . 6 1 1 A 21 21 ALA N N 21 119.470 119.407 0.063 1
1 154 . 6 1 1 A 22 22 GLY H H 22 8.090 7.558 0.532 1
1 155 . 6 1 1 A 22 22 GLY HA2 H 22 4.160 4.054 0.106 1
1 156 . 6 1 1 A 22 22 GLY HA3 H 22 3.870 4.056 -0.186 1
1 157 . 6 1 1 A 22 22 GLY N N 22 106.540 104.940 1.600 1
1 158 . 6 1 1 A 23 23 MET H H 23 8.180 7.665 0.515 1
1 159 . 6 1 1 A 23 23 MET HA H 23 4.650 5.000 -0.350 1
1 167 . 6 1 1 A 23 23 MET N N 23 118.970 118.605 0.365 1
1 168 . 6 1 1 A 24 24 ARG H H 24 8.430 8.519 -0.089 1
1 169 . 6 1 1 A 24 24 ARG HA H 24 4.480 4.163 0.317 1
1 177 . 6 1 1 A 24 24 ARG N N 24 115.490 122.696 -7.206 1
1 178 . 6 1 1 A 25 25 PHE H H 25 8.200 7.278 0.922 1
1 179 . 6 1 1 A 25 25 PHE HA H 25 4.490 4.738 -0.248 1
1 182 . 6 1 1 A 25 25 PHE N N 25 114.490 116.422 -1.932 1
1 183 . 6 1 1 A 26 26 GLY H H 26 7.910 8.795 -0.885 1
1 184 . 6 1 1 A 26 26 GLY HA2 H 26 4.650 4.272 0.378 1
1 185 . 6 1 1 A 26 26 GLY HA3 H 26 3.820 4.287 -0.467 1
1 186 . 6 1 1 A 26 26 GLY N N 26 107.030 109.091 -2.061 1
1 187 . 6 1 1 A 27 27 LYS H H 27 8.800 8.748 0.052 1
1 188 . 6 1 1 A 27 27 LYS HA H 27 4.640 5.043 -0.403 1
1 194 . 6 1 1 A 27 27 LYS N N 27 121.950 120.981 0.969 1
1 195 . 6 1 1 A 28 28 CYS H H 28 8.840 8.757 0.083 1
1 196 . 6 1 1 A 28 28 CYS HA H 28 4.910 5.394 -0.484 1
1 199 . 6 1 1 A 28 28 CYS N N 28 125.430 122.487 2.943 1
1 200 . 6 1 1 A 29 29 MET H H 29 8.850 8.704 0.146 1
1 201 . 6 1 1 A 29 29 MET HA H 29 4.650 4.762 -0.112 1
1 209 . 6 1 1 A 29 29 MET N N 29 128.920 124.448 4.472 1
1 210 . 6 1 1 A 30 30 ASN H H 30 9.440 8.629 0.811 1
1 211 . 6 1 1 A 30 30 ASN HA H 30 4.340 4.503 -0.163 1
1 216 . 6 1 1 A 30 30 ASN N N 30 124.440 118.890 5.550 1
1 218 . 6 1 1 A 31 31 ARG H H 31 8.580 8.555 0.025 1
1 219 . 6 1 1 A 31 31 ARG HA H 31 4.100 3.809 0.291 1
1 227 . 6 1 1 A 31 31 ARG N N 31 106.040 122.323 -16.283 1
1 228 . 6 1 1 A 32 32 LYS H H 32 7.840 7.340 0.500 1
1 229 . 6 1 1 A 32 32 LYS HA H 32 5.320 4.643 0.677 1
1 238 . 6 1 1 A 32 32 LYS N N 32 118.970 116.910 2.060 1
1 239 . 6 1 1 A 33 33 CYS H H 33 8.610 8.198 0.412 1
1 240 . 6 1 1 A 33 33 CYS HA H 33 5.090 4.887 0.203 1
1 243 . 6 1 1 A 33 33 CYS N N 33 121.460 123.232 -1.772 1
1 244 . 6 1 1 A 34 34 HIS H H 34 9.490 8.792 0.698 1
1 245 . 6 1 1 A 34 34 HIS HA H 34 5.210 5.051 0.159 1
1 250 . 6 1 1 A 34 34 HIS N N 34 120.460 120.455 0.005 1
1 251 . 6 1 1 A 35 35 CYS H H 35 9.180 8.542 0.638 1
1 252 . 6 1 1 A 35 35 CYS HA H 35 5.330 5.074 0.256 1
1 255 . 6 1 1 A 35 35 CYS N N 35 120.460 122.719 -2.259 1
1 256 . 6 1 1 A 36 36 THR H H 36 8.800 8.543 0.257 1
1 257 . 6 1 1 A 36 36 THR HA H 36 4.980 4.786 0.194 1
1 260 . 6 1 1 A 36 36 THR N N 36 117.980 118.994 -1.014 1
1 261 . 6 1 1 A 37 37 PRO HA H 37 4.470 4.524 -0.054 1
1 5 . 7 1 1 A 2 2 VAL H H 2 8.950 7.945 1.005 1
1 6 . 7 1 1 A 2 2 VAL HA H 2 4.590 4.309 0.281 1
1 14 . 7 1 1 A 2 2 VAL N N 2 120.960 123.282 -2.322 1
1 15 . 7 1 1 A 3 3 PRO HA H 3 4.550 4.485 0.065 1
1 22 . 7 1 1 A 4 4 ILE H H 4 8.210 7.951 0.259 1
1 23 . 7 1 1 A 4 4 ILE HA H 4 4.530 4.977 -0.447 1
1 33 . 7 1 1 A 4 4 ILE N N 4 114.990 116.894 -1.904 1
1 34 . 7 1 1 A 5 5 ASN H H 5 8.720 8.844 -0.124 1
1 35 . 7 1 1 A 5 5 ASN HA H 5 4.800 4.916 -0.116 1
1 40 . 7 1 1 A 5 5 ASN N N 5 120.960 122.386 -1.426 1
1 42 . 7 1 1 A 6 6 VAL H H 6 8.020 7.761 0.259 1
1 43 . 7 1 1 A 6 6 VAL HA H 6 4.200 4.564 -0.364 1
1 51 . 7 1 1 A 6 6 VAL N N 6 121.460 124.820 -3.360 1
1 52 . 7 1 1 A 7 7 SER H H 7 8.640 8.979 -0.339 1
1 53 . 7 1 1 A 7 7 SER HA H 7 5.080 4.894 0.186 1
1 56 . 7 1 1 A 7 7 SER N N 7 122.450 121.692 0.758 1
1 57 . 7 1 1 A 8 8 CYS H H 8 7.990 8.840 -0.850 1
1 58 . 7 1 1 A 8 8 CYS HA H 8 4.940 5.198 -0.258 1
1 61 . 7 1 1 A 8 8 CYS N N 8 114.990 123.376 -8.386 1
1 62 . 7 1 1 A 9 9 THR H H 9 9.330 8.660 0.670 1
1 63 . 7 1 1 A 9 9 THR HA H 9 4.470 4.608 -0.138 1
1 68 . 7 1 1 A 9 9 THR N N 9 108.530 117.365 -8.835 1
1 69 . 7 1 1 A 10 10 GLY H H 10 7.720 8.522 -0.802 1
1 70 . 7 1 1 A 10 10 GLY HA2 H 10 4.510 4.154 0.356 1
1 71 . 7 1 1 A 10 10 GLY HA3 H 10 4.070 4.154 -0.084 1
1 72 . 7 1 1 A 10 10 GLY N N 10 109.520 117.328 -7.808 1
1 73 . 7 1 1 A 11 11 SER H H 11 9.360 8.861 0.499 1
1 74 . 7 1 1 A 11 11 SER HA H 11 4.210 4.318 -0.108 1
1 76 . 7 1 1 A 11 11 SER N N 11 119.470 117.015 2.455 1
1 77 . 7 1 1 A 12 12 PRO HA H 12 4.360 4.321 0.039 1
1 84 . 7 1 1 A 13 13 GLN H H 13 7.330 8.331 -1.001 1
1 85 . 7 1 1 A 13 13 GLN HA H 13 4.220 3.983 0.237 1
1 92 . 7 1 1 A 13 13 GLN N N 13 112.500 116.214 -3.714 1
1 94 . 7 1 1 A 14 14 CYS H H 14 8.300 7.942 0.358 1
1 95 . 7 1 1 A 14 14 CYS HA H 14 4.800 4.503 0.297 1
1 98 . 7 1 1 A 14 14 CYS N N 14 112.500 117.621 -5.121 1
1 99 . 7 1 1 A 15 15 ILE H H 15 7.220 7.699 -0.479 1
1 100 . 7 1 1 A 15 15 ILE HA H 15 3.820 3.744 0.076 1
1 110 . 7 1 1 A 15 15 ILE N N 15 121.950 122.489 -0.539 1
1 111 . 7 1 1 A 16 16 LYS H H 16 9.020 8.001 1.019 1
1 112 . 7 1 1 A 16 16 LYS HA H 16 4.290 4.113 0.177 1
1 120 . 7 1 1 A 16 16 LYS N N 16 119.960 119.445 0.515 1
1 121 . 7 1 1 A 17 17 PRO HA H 17 4.370 4.175 0.195 1
1 128 . 7 1 1 A 18 18 CYS H H 18 7.670 7.649 0.021 1
1 129 . 7 1 1 A 18 18 CYS HA H 18 4.470 4.270 0.200 1
1 132 . 7 1 1 A 18 18 CYS N N 18 113.000 114.579 -1.579 1
1 133 . 7 1 1 A 19 19 LYS H H 19 8.100 7.826 0.274 1
1 134 . 7 1 1 A 19 19 LYS HA H 19 4.290 3.973 0.317 1
1 142 . 7 1 1 A 19 19 LYS N N 19 123.450 121.241 2.209 1
1 143 . 7 1 1 A 20 20 ASP H H 20 9.150 8.484 0.666 1
1 144 . 7 1 1 A 20 20 ASP HA H 20 4.390 4.297 0.093 1
1 147 . 7 1 1 A 20 20 ASP N N 20 122.450 119.651 2.799 1
1 148 . 7 1 1 A 21 21 ALA H H 21 7.380 7.425 -0.045 1
1 149 . 7 1 1 A 21 21 ALA HA H 21 4.480 4.121 0.359 1
1 153 . 7 1 1 A 21 21 ALA N N 21 119.470 119.399 0.071 1
1 154 . 7 1 1 A 22 22 GLY H H 22 8.090 7.538 0.552 1
1 155 . 7 1 1 A 22 22 GLY HA2 H 22 4.160 4.053 0.107 1
1 156 . 7 1 1 A 22 22 GLY HA3 H 22 3.870 4.057 -0.187 1
1 157 . 7 1 1 A 22 22 GLY N N 22 106.540 104.950 1.590 1
1 158 . 7 1 1 A 23 23 MET H H 23 8.180 7.619 0.561 1
1 159 . 7 1 1 A 23 23 MET HA H 23 4.650 5.007 -0.357 1
1 167 . 7 1 1 A 23 23 MET N N 23 118.970 118.614 0.356 1
1 168 . 7 1 1 A 24 24 ARG H H 24 8.430 8.542 -0.112 1
1 169 . 7 1 1 A 24 24 ARG HA H 24 4.480 4.103 0.377 1
1 177 . 7 1 1 A 24 24 ARG N N 24 115.490 122.715 -7.225 1
1 178 . 7 1 1 A 25 25 PHE H H 25 8.200 7.387 0.813 1
1 179 . 7 1 1 A 25 25 PHE HA H 25 4.490 4.830 -0.340 1
1 182 . 7 1 1 A 25 25 PHE N N 25 114.490 115.991 -1.501 1
1 183 . 7 1 1 A 26 26 GLY H H 26 7.910 8.802 -0.892 1
1 184 . 7 1 1 A 26 26 GLY HA2 H 26 4.650 4.286 0.364 1
1 185 . 7 1 1 A 26 26 GLY HA3 H 26 3.820 4.298 -0.478 1
1 186 . 7 1 1 A 26 26 GLY N N 26 107.030 108.850 -1.820 1
1 187 . 7 1 1 A 27 27 LYS H H 27 8.800 8.947 -0.147 1
1 188 . 7 1 1 A 27 27 LYS HA H 27 4.640 5.044 -0.404 1
1 194 . 7 1 1 A 27 27 LYS N N 27 121.950 125.371 -3.421 1
1 195 . 7 1 1 A 28 28 CYS H H 28 8.840 8.722 0.118 1
1 196 . 7 1 1 A 28 28 CYS HA H 28 4.910 5.433 -0.523 1
1 199 . 7 1 1 A 28 28 CYS N N 28 125.430 125.838 -0.408 1
1 200 . 7 1 1 A 29 29 MET H H 29 8.850 8.654 0.196 1
1 201 . 7 1 1 A 29 29 MET HA H 29 4.650 4.809 -0.159 1
1 209 . 7 1 1 A 29 29 MET N N 29 128.920 124.667 4.253 1
1 210 . 7 1 1 A 30 30 ASN H H 30 9.440 8.635 0.805 1
1 211 . 7 1 1 A 30 30 ASN HA H 30 4.340 4.490 -0.150 1
1 216 . 7 1 1 A 30 30 ASN N N 30 124.440 118.825 5.615 1
1 218 . 7 1 1 A 31 31 ARG H H 31 8.580 8.926 -0.346 1
1 219 . 7 1 1 A 31 31 ARG HA H 31 4.100 3.829 0.271 1
1 227 . 7 1 1 A 31 31 ARG N N 31 106.040 121.852 -15.812 1
1 228 . 7 1 1 A 32 32 LYS H H 32 7.840 7.347 0.493 1
1 229 . 7 1 1 A 32 32 LYS HA H 32 5.320 4.572 0.748 1
1 238 . 7 1 1 A 32 32 LYS N N 32 118.970 117.609 1.361 1
1 239 . 7 1 1 A 33 33 CYS H H 33 8.610 8.179 0.431 1
1 240 . 7 1 1 A 33 33 CYS HA H 33 5.090 4.746 0.344 1
1 243 . 7 1 1 A 33 33 CYS N N 33 121.460 123.613 -2.153 1
1 244 . 7 1 1 A 34 34 HIS H H 34 9.490 8.754 0.736 1
1 245 . 7 1 1 A 34 34 HIS HA H 34 5.210 5.025 0.185 1
1 250 . 7 1 1 A 34 34 HIS N N 34 120.460 119.972 0.488 1
1 251 . 7 1 1 A 35 35 CYS H H 35 9.180 8.308 0.872 1
1 252 . 7 1 1 A 35 35 CYS HA H 35 5.330 4.986 0.344 1
1 255 . 7 1 1 A 35 35 CYS N N 35 120.460 123.024 -2.564 1
1 256 . 7 1 1 A 36 36 THR H H 36 8.800 8.609 0.191 1
1 257 . 7 1 1 A 36 36 THR HA H 36 4.980 4.794 0.186 1
1 260 . 7 1 1 A 36 36 THR N N 36 117.980 118.520 -0.540 1
1 261 . 7 1 1 A 37 37 PRO HA H 37 4.470 4.521 -0.051 1
1 5 . 8 1 1 A 2 2 VAL H H 2 8.950 8.279 0.671 1
1 6 . 8 1 1 A 2 2 VAL HA H 2 4.590 4.714 -0.124 1
1 14 . 8 1 1 A 2 2 VAL N N 2 120.960 121.575 -0.615 1
1 15 . 8 1 1 A 3 3 PRO HA H 3 4.550 4.333 0.217 1
1 22 . 8 1 1 A 4 4 ILE H H 4 8.210 7.855 0.355 1
1 23 . 8 1 1 A 4 4 ILE HA H 4 4.530 4.483 0.047 1
1 33 . 8 1 1 A 4 4 ILE N N 4 114.990 117.750 -2.760 1
1 34 . 8 1 1 A 5 5 ASN H H 5 8.720 8.662 0.058 1
1 35 . 8 1 1 A 5 5 ASN HA H 5 4.800 4.925 -0.125 1
1 40 . 8 1 1 A 5 5 ASN N N 5 120.960 121.950 -0.990 1
1 42 . 8 1 1 A 6 6 VAL H H 6 8.020 7.803 0.217 1
1 43 . 8 1 1 A 6 6 VAL HA H 6 4.200 4.620 -0.420 1
1 51 . 8 1 1 A 6 6 VAL N N 6 121.460 125.052 -3.592 1
1 52 . 8 1 1 A 7 7 SER H H 7 8.640 8.982 -0.342 1
1 53 . 8 1 1 A 7 7 SER HA H 7 5.080 4.962 0.118 1
1 56 . 8 1 1 A 7 7 SER N N 7 122.450 121.643 0.807 1
1 57 . 8 1 1 A 8 8 CYS H H 8 7.990 8.841 -0.851 1
1 58 . 8 1 1 A 8 8 CYS HA H 8 4.940 5.191 -0.251 1
1 61 . 8 1 1 A 8 8 CYS N N 8 114.990 123.718 -8.728 1
1 62 . 8 1 1 A 9 9 THR H H 9 9.330 8.547 0.783 1
1 63 . 8 1 1 A 9 9 THR HA H 9 4.470 4.624 -0.154 1
1 68 . 8 1 1 A 9 9 THR N N 9 108.530 117.368 -8.838 1
1 69 . 8 1 1 A 10 10 GLY H H 10 7.720 7.553 0.167 1
1 70 . 8 1 1 A 10 10 GLY HA2 H 10 4.510 4.181 0.329 1
1 71 . 8 1 1 A 10 10 GLY HA3 H 10 4.070 4.181 -0.111 1
1 72 . 8 1 1 A 10 10 GLY N N 10 109.520 115.028 -5.508 1
1 73 . 8 1 1 A 11 11 SER H H 11 9.360 8.937 0.423 1
1 74 . 8 1 1 A 11 11 SER HA H 11 4.210 4.283 -0.073 1
1 76 . 8 1 1 A 11 11 SER N N 11 119.470 117.050 2.420 1
1 77 . 8 1 1 A 12 12 PRO HA H 12 4.360 4.325 0.035 1
1 84 . 8 1 1 A 13 13 GLN H H 13 7.330 8.264 -0.934 1
1 85 . 8 1 1 A 13 13 GLN HA H 13 4.220 3.966 0.254 1
1 92 . 8 1 1 A 13 13 GLN N N 13 112.500 116.223 -3.723 1
1 94 . 8 1 1 A 14 14 CYS H H 14 8.300 7.949 0.351 1
1 95 . 8 1 1 A 14 14 CYS HA H 14 4.800 4.515 0.285 1
1 98 . 8 1 1 A 14 14 CYS N N 14 112.500 117.568 -5.068 1
1 99 . 8 1 1 A 15 15 ILE H H 15 7.220 7.721 -0.501 1
1 100 . 8 1 1 A 15 15 ILE HA H 15 3.820 3.683 0.137 1
1 110 . 8 1 1 A 15 15 ILE N N 15 121.950 122.454 -0.504 1
1 111 . 8 1 1 A 16 16 LYS H H 16 9.020 8.065 0.955 1
1 112 . 8 1 1 A 16 16 LYS HA H 16 4.290 4.084 0.206 1
1 120 . 8 1 1 A 16 16 LYS N N 16 119.960 119.217 0.743 1
1 121 . 8 1 1 A 17 17 PRO HA H 17 4.370 4.157 0.213 1
1 128 . 8 1 1 A 18 18 CYS H H 18 7.670 7.678 -0.008 1
1 129 . 8 1 1 A 18 18 CYS HA H 18 4.470 4.254 0.216 1
1 132 . 8 1 1 A 18 18 CYS N N 18 113.000 114.623 -1.623 1
1 133 . 8 1 1 A 19 19 LYS H H 19 8.100 7.736 0.364 1
1 134 . 8 1 1 A 19 19 LYS HA H 19 4.290 3.902 0.388 1
1 142 . 8 1 1 A 19 19 LYS N N 19 123.450 121.265 2.185 1
1 143 . 8 1 1 A 20 20 ASP H H 20 9.150 8.501 0.649 1
1 144 . 8 1 1 A 20 20 ASP HA H 20 4.390 4.287 0.103 1
1 147 . 8 1 1 A 20 20 ASP N N 20 122.450 119.663 2.787 1
1 148 . 8 1 1 A 21 21 ALA H H 21 7.380 7.434 -0.054 1
1 149 . 8 1 1 A 21 21 ALA HA H 21 4.480 4.115 0.365 1
1 153 . 8 1 1 A 21 21 ALA N N 21 119.470 119.304 0.166 1
1 154 . 8 1 1 A 22 22 GLY H H 22 8.090 7.635 0.455 1
1 155 . 8 1 1 A 22 22 GLY HA2 H 22 4.160 4.034 0.126 1
1 156 . 8 1 1 A 22 22 GLY HA3 H 22 3.870 4.039 -0.169 1
1 157 . 8 1 1 A 22 22 GLY N N 22 106.540 105.439 1.101 1
1 158 . 8 1 1 A 23 23 MET H H 23 8.180 7.418 0.762 1
1 159 . 8 1 1 A 23 23 MET HA H 23 4.650 4.979 -0.329 1
1 167 . 8 1 1 A 23 23 MET N N 23 118.970 118.105 0.865 1
1 168 . 8 1 1 A 24 24 ARG H H 24 8.430 8.712 -0.282 1
1 169 . 8 1 1 A 24 24 ARG HA H 24 4.480 4.075 0.405 1
1 177 . 8 1 1 A 24 24 ARG N N 24 115.490 121.271 -5.781 1
1 178 . 8 1 1 A 25 25 PHE H H 25 8.200 7.725 0.475 1
1 179 . 8 1 1 A 25 25 PHE HA H 25 4.490 5.204 -0.714 1
1 182 . 8 1 1 A 25 25 PHE N N 25 114.490 114.787 -0.297 1
1 183 . 8 1 1 A 26 26 GLY H H 26 7.910 8.867 -0.957 1
1 184 . 8 1 1 A 26 26 GLY HA2 H 26 4.650 4.220 0.430 1
1 185 . 8 1 1 A 26 26 GLY HA3 H 26 3.820 4.229 -0.409 1
1 186 . 8 1 1 A 26 26 GLY N N 26 107.030 109.510 -2.480 1
1 187 . 8 1 1 A 27 27 LYS H H 27 8.800 8.792 0.008 1
1 188 . 8 1 1 A 27 27 LYS HA H 27 4.640 4.828 -0.188 1
1 194 . 8 1 1 A 27 27 LYS N N 27 121.950 125.133 -3.183 1
1 195 . 8 1 1 A 28 28 CYS H H 28 8.840 9.170 -0.330 1
1 196 . 8 1 1 A 28 28 CYS HA H 28 4.910 5.362 -0.452 1
1 199 . 8 1 1 A 28 28 CYS N N 28 125.430 124.900 0.530 1
1 200 . 8 1 1 A 29 29 MET H H 29 8.850 8.519 0.331 1
1 201 . 8 1 1 A 29 29 MET HA H 29 4.650 4.693 -0.043 1
1 209 . 8 1 1 A 29 29 MET N N 29 128.920 125.051 3.869 1
1 210 . 8 1 1 A 30 30 ASN H H 30 9.440 8.626 0.814 1
1 211 . 8 1 1 A 30 30 ASN HA H 30 4.340 4.520 -0.180 1
1 216 . 8 1 1 A 30 30 ASN N N 30 124.440 118.818 5.622 1
1 218 . 8 1 1 A 31 31 ARG H H 31 8.580 8.929 -0.349 1
1 219 . 8 1 1 A 31 31 ARG HA H 31 4.100 3.839 0.261 1
1 227 . 8 1 1 A 31 31 ARG N N 31 106.040 122.749 -16.709 1
1 228 . 8 1 1 A 32 32 LYS H H 32 7.840 7.349 0.491 1
1 229 . 8 1 1 A 32 32 LYS HA H 32 5.320 4.590 0.730 1
1 238 . 8 1 1 A 32 32 LYS N N 32 118.970 117.223 1.747 1
1 239 . 8 1 1 A 33 33 CYS H H 33 8.610 8.264 0.346 1
1 240 . 8 1 1 A 33 33 CYS HA H 33 5.090 4.801 0.289 1
1 243 . 8 1 1 A 33 33 CYS N N 33 121.460 123.630 -2.170 1
1 244 . 8 1 1 A 34 34 HIS H H 34 9.490 8.768 0.722 1
1 245 . 8 1 1 A 34 34 HIS HA H 34 5.210 5.067 0.143 1
1 250 . 8 1 1 A 34 34 HIS N N 34 120.460 120.481 -0.021 1
1 251 . 8 1 1 A 35 35 CYS H H 35 9.180 8.341 0.839 1
1 252 . 8 1 1 A 35 35 CYS HA H 35 5.330 5.130 0.200 1
1 255 . 8 1 1 A 35 35 CYS N N 35 120.460 122.765 -2.305 1
1 256 . 8 1 1 A 36 36 THR H H 36 8.800 8.576 0.224 1
1 257 . 8 1 1 A 36 36 THR HA H 36 4.980 4.846 0.134 1
1 260 . 8 1 1 A 36 36 THR N N 36 117.980 120.561 -2.581 1
1 261 . 8 1 1 A 37 37 PRO HA H 37 4.470 4.684 -0.214 1
1 5 . 9 1 1 A 2 2 VAL H H 2 8.950 8.896 0.054 1
1 6 . 9 1 1 A 2 2 VAL HA H 2 4.590 4.581 0.009 1
1 14 . 9 1 1 A 2 2 VAL N N 2 120.960 126.414 -5.454 1
1 15 . 9 1 1 A 3 3 PRO HA H 3 4.550 4.471 0.079 1
1 22 . 9 1 1 A 4 4 ILE H H 4 8.210 7.743 0.467 1
1 23 . 9 1 1 A 4 4 ILE HA H 4 4.530 4.445 0.085 1
1 33 . 9 1 1 A 4 4 ILE N N 4 114.990 117.776 -2.786 1
1 34 . 9 1 1 A 5 5 ASN H H 5 8.720 8.666 0.054 1
1 35 . 9 1 1 A 5 5 ASN HA H 5 4.800 4.944 -0.144 1
1 40 . 9 1 1 A 5 5 ASN N N 5 120.960 121.833 -0.873 1
1 42 . 9 1 1 A 6 6 VAL H H 6 8.020 7.711 0.309 1
1 43 . 9 1 1 A 6 6 VAL HA H 6 4.200 4.634 -0.434 1
1 51 . 9 1 1 A 6 6 VAL N N 6 121.460 124.816 -3.356 1
1 52 . 9 1 1 A 7 7 SER H H 7 8.640 8.981 -0.341 1
1 53 . 9 1 1 A 7 7 SER HA H 7 5.080 4.963 0.117 1
1 56 . 9 1 1 A 7 7 SER N N 7 122.450 121.635 0.815 1
1 57 . 9 1 1 A 8 8 CYS H H 8 7.990 8.564 -0.574 1
1 58 . 9 1 1 A 8 8 CYS HA H 8 4.940 4.906 0.034 1
1 61 . 9 1 1 A 8 8 CYS N N 8 114.990 123.920 -8.930 1
1 62 . 9 1 1 A 9 9 THR H H 9 9.330 8.885 0.445 1
1 63 . 9 1 1 A 9 9 THR HA H 9 4.470 4.403 0.067 1
1 68 . 9 1 1 A 9 9 THR N N 9 108.530 119.083 -10.553 1
1 69 . 9 1 1 A 10 10 GLY H H 10 7.720 7.823 -0.103 1
1 70 . 9 1 1 A 10 10 GLY HA2 H 10 4.510 4.122 0.388 1
1 71 . 9 1 1 A 10 10 GLY HA3 H 10 4.070 4.123 -0.053 1
1 72 . 9 1 1 A 10 10 GLY N N 10 109.520 107.554 1.966 1
1 73 . 9 1 1 A 11 11 SER H H 11 9.360 8.994 0.366 1
1 74 . 9 1 1 A 11 11 SER HA H 11 4.210 4.243 -0.033 1
1 76 . 9 1 1 A 11 11 SER N N 11 119.470 114.604 4.866 1
1 77 . 9 1 1 A 12 12 PRO HA H 12 4.360 4.332 0.028 1
1 84 . 9 1 1 A 13 13 GLN H H 13 7.330 8.339 -1.009 1
1 85 . 9 1 1 A 13 13 GLN HA H 13 4.220 3.961 0.259 1
1 92 . 9 1 1 A 13 13 GLN N N 13 112.500 116.237 -3.737 1
1 94 . 9 1 1 A 14 14 CYS H H 14 8.300 8.498 -0.198 1
1 95 . 9 1 1 A 14 14 CYS HA H 14 4.800 4.529 0.271 1
1 98 . 9 1 1 A 14 14 CYS N N 14 112.500 117.553 -5.053 1
1 99 . 9 1 1 A 15 15 ILE H H 15 7.220 7.678 -0.458 1
1 100 . 9 1 1 A 15 15 ILE HA H 15 3.820 3.767 0.053 1
1 110 . 9 1 1 A 15 15 ILE N N 15 121.950 122.683 -0.733 1
1 111 . 9 1 1 A 16 16 LYS H H 16 9.020 8.015 1.005 1
1 112 . 9 1 1 A 16 16 LYS HA H 16 4.290 4.049 0.241 1
1 120 . 9 1 1 A 16 16 LYS N N 16 119.960 119.034 0.926 1
1 121 . 9 1 1 A 17 17 PRO HA H 17 4.370 4.208 0.162 1
1 128 . 9 1 1 A 18 18 CYS H H 18 7.670 7.617 0.053 1
1 129 . 9 1 1 A 18 18 CYS HA H 18 4.470 4.271 0.199 1
1 132 . 9 1 1 A 18 18 CYS N N 18 113.000 114.614 -1.614 1
1 133 . 9 1 1 A 19 19 LYS H H 19 8.100 7.935 0.165 1
1 134 . 9 1 1 A 19 19 LYS HA H 19 4.290 4.008 0.282 1
1 142 . 9 1 1 A 19 19 LYS N N 19 123.450 121.198 2.252 1
1 143 . 9 1 1 A 20 20 ASP H H 20 9.150 7.994 1.156 1
1 144 . 9 1 1 A 20 20 ASP HA H 20 4.390 4.346 0.044 1
1 147 . 9 1 1 A 20 20 ASP N N 20 122.450 119.917 2.533 1
1 148 . 9 1 1 A 21 21 ALA H H 21 7.380 7.356 0.024 1
1 149 . 9 1 1 A 21 21 ALA HA H 21 4.480 4.077 0.403 1
1 153 . 9 1 1 A 21 21 ALA N N 21 119.470 119.310 0.160 1
1 154 . 9 1 1 A 22 22 GLY H H 22 8.090 7.219 0.871 1
1 155 . 9 1 1 A 22 22 GLY HA2 H 22 4.160 4.082 0.078 1
1 156 . 9 1 1 A 22 22 GLY HA3 H 22 3.870 4.089 -0.219 1
1 157 . 9 1 1 A 22 22 GLY N N 22 106.540 103.928 2.612 1
1 158 . 9 1 1 A 23 23 MET H H 23 8.180 7.600 0.580 1
1 159 . 9 1 1 A 23 23 MET HA H 23 4.650 5.046 -0.396 1
1 167 . 9 1 1 A 23 23 MET N N 23 118.970 117.647 1.323 1
1 168 . 9 1 1 A 24 24 ARG H H 24 8.430 8.785 -0.355 1
1 169 . 9 1 1 A 24 24 ARG HA H 24 4.480 4.108 0.372 1
1 177 . 9 1 1 A 24 24 ARG N N 24 115.490 120.547 -5.057 1
1 178 . 9 1 1 A 25 25 PHE H H 25 8.200 7.166 1.034 1
1 179 . 9 1 1 A 25 25 PHE HA H 25 4.490 5.274 -0.784 1
1 182 . 9 1 1 A 25 25 PHE N N 25 114.490 114.966 -0.476 1
1 183 . 9 1 1 A 26 26 GLY H H 26 7.910 8.788 -0.878 1
1 184 . 9 1 1 A 26 26 GLY HA2 H 26 4.650 4.230 0.420 1
1 185 . 9 1 1 A 26 26 GLY HA3 H 26 3.820 4.241 -0.421 1
1 186 . 9 1 1 A 26 26 GLY N N 26 107.030 109.104 -2.074 1
1 187 . 9 1 1 A 27 27 LYS H H 27 8.800 8.763 0.037 1
1 188 . 9 1 1 A 27 27 LYS HA H 27 4.640 4.955 -0.315 1
1 194 . 9 1 1 A 27 27 LYS N N 27 121.950 121.709 0.241 1
1 195 . 9 1 1 A 28 28 CYS H H 28 8.840 9.097 -0.257 1
1 196 . 9 1 1 A 28 28 CYS HA H 28 4.910 5.360 -0.450 1
1 199 . 9 1 1 A 28 28 CYS N N 28 125.430 123.105 2.325 1
1 200 . 9 1 1 A 29 29 MET H H 29 8.850 8.563 0.287 1
1 201 . 9 1 1 A 29 29 MET HA H 29 4.650 4.604 0.046 1
1 209 . 9 1 1 A 29 29 MET N N 29 128.920 124.998 3.922 1
1 210 . 9 1 1 A 30 30 ASN H H 30 9.440 8.637 0.803 1
1 211 . 9 1 1 A 30 30 ASN HA H 30 4.340 4.494 -0.154 1
1 216 . 9 1 1 A 30 30 ASN N N 30 124.440 118.990 5.450 1
1 218 . 9 1 1 A 31 31 ARG H H 31 8.580 8.918 -0.338 1
1 219 . 9 1 1 A 31 31 ARG HA H 31 4.100 3.840 0.260 1
1 227 . 9 1 1 A 31 31 ARG N N 31 106.040 122.719 -16.679 1
1 228 . 9 1 1 A 32 32 LYS H H 32 7.840 7.348 0.492 1
1 229 . 9 1 1 A 32 32 LYS HA H 32 5.320 4.589 0.731 1
1 238 . 9 1 1 A 32 32 LYS N N 32 118.970 117.331 1.639 1
1 239 . 9 1 1 A 33 33 CYS H H 33 8.610 8.203 0.407 1
1 240 . 9 1 1 A 33 33 CYS HA H 33 5.090 4.850 0.240 1
1 243 . 9 1 1 A 33 33 CYS N N 33 121.460 123.708 -2.248 1
1 244 . 9 1 1 A 34 34 HIS H H 34 9.490 8.810 0.680 1
1 245 . 9 1 1 A 34 34 HIS HA H 34 5.210 4.939 0.271 1
1 250 . 9 1 1 A 34 34 HIS N N 34 120.460 119.943 0.517 1
1 251 . 9 1 1 A 35 35 CYS H H 35 9.180 8.551 0.629 1
1 252 . 9 1 1 A 35 35 CYS HA H 35 5.330 4.964 0.366 1
1 255 . 9 1 1 A 35 35 CYS N N 35 120.460 122.924 -2.464 1
1 256 . 9 1 1 A 36 36 THR H H 36 8.800 8.684 0.116 1
1 257 . 9 1 1 A 36 36 THR HA H 36 4.980 4.850 0.130 1
1 260 . 9 1 1 A 36 36 THR N N 36 117.980 118.924 -0.944 1
1 261 . 9 1 1 A 37 37 PRO HA H 37 4.470 4.586 -0.116 1
1 5 . 10 1 1 A 2 2 VAL H H 2 8.950 8.553 0.397 1
1 6 . 10 1 1 A 2 2 VAL HA H 2 4.590 4.692 -0.102 1
1 14 . 10 1 1 A 2 2 VAL N N 2 120.960 118.880 2.080 1
1 15 . 10 1 1 A 3 3 PRO HA H 3 4.550 4.237 0.313 1
1 22 . 10 1 1 A 4 4 ILE H H 4 8.210 7.968 0.242 1
1 23 . 10 1 1 A 4 4 ILE HA H 4 4.530 4.698 -0.168 1
1 33 . 10 1 1 A 4 4 ILE N N 4 114.990 117.410 -2.420 1
1 34 . 10 1 1 A 5 5 ASN H H 5 8.720 8.815 -0.095 1
1 35 . 10 1 1 A 5 5 ASN HA H 5 4.800 5.008 -0.208 1
1 40 . 10 1 1 A 5 5 ASN N N 5 120.960 122.660 -1.700 1
1 42 . 10 1 1 A 6 6 VAL H H 6 8.020 7.798 0.222 1
1 43 . 10 1 1 A 6 6 VAL HA H 6 4.200 4.494 -0.294 1
1 51 . 10 1 1 A 6 6 VAL N N 6 121.460 125.209 -3.749 1
1 52 . 10 1 1 A 7 7 SER H H 7 8.640 8.952 -0.312 1
1 53 . 10 1 1 A 7 7 SER HA H 7 5.080 4.806 0.274 1
1 56 . 10 1 1 A 7 7 SER N N 7 122.450 121.762 0.688 1
1 57 . 10 1 1 A 8 8 CYS H H 8 7.990 8.738 -0.748 1
1 58 . 10 1 1 A 8 8 CYS HA H 8 4.940 5.160 -0.220 1
1 61 . 10 1 1 A 8 8 CYS N N 8 114.990 123.956 -8.966 1
1 62 . 10 1 1 A 9 9 THR H H 9 9.330 8.684 0.646 1
1 63 . 10 1 1 A 9 9 THR HA H 9 4.470 4.610 -0.140 1
1 68 . 10 1 1 A 9 9 THR N N 9 108.530 117.099 -8.569 1
1 69 . 10 1 1 A 10 10 GLY H H 10 7.720 8.470 -0.750 1
1 70 . 10 1 1 A 10 10 GLY HA2 H 10 4.510 4.175 0.335 1
1 71 . 10 1 1 A 10 10 GLY HA3 H 10 4.070 4.176 -0.106 1
1 72 . 10 1 1 A 10 10 GLY N N 10 109.520 116.964 -7.444 1
1 73 . 10 1 1 A 11 11 SER H H 11 9.360 8.847 0.513 1
1 74 . 10 1 1 A 11 11 SER HA H 11 4.210 4.266 -0.056 1
1 76 . 10 1 1 A 11 11 SER N N 11 119.470 117.057 2.413 1
1 77 . 10 1 1 A 12 12 PRO HA H 12 4.360 4.324 0.036 1
1 84 . 10 1 1 A 13 13 GLN H H 13 7.330 8.366 -1.036 1
1 85 . 10 1 1 A 13 13 GLN HA H 13 4.220 3.982 0.238 1
1 92 . 10 1 1 A 13 13 GLN N N 13 112.500 116.142 -3.642 1
1 94 . 10 1 1 A 14 14 CYS H H 14 8.300 7.899 0.401 1
1 95 . 10 1 1 A 14 14 CYS HA H 14 4.800 4.493 0.307 1
1 98 . 10 1 1 A 14 14 CYS N N 14 112.500 117.627 -5.127 1
1 99 . 10 1 1 A 15 15 ILE H H 15 7.220 7.341 -0.121 1
1 100 . 10 1 1 A 15 15 ILE HA H 15 3.820 3.734 0.086 1
1 110 . 10 1 1 A 15 15 ILE N N 15 121.950 122.509 -0.559 1
1 111 . 10 1 1 A 16 16 LYS H H 16 9.020 8.360 0.660 1
1 112 . 10 1 1 A 16 16 LYS HA H 16 4.290 4.124 0.166 1
1 120 . 10 1 1 A 16 16 LYS N N 16 119.960 121.123 -1.163 1
1 121 . 10 1 1 A 17 17 PRO HA H 17 4.370 4.172 0.198 1
1 128 . 10 1 1 A 18 18 CYS H H 18 7.670 7.674 -0.004 1
1 129 . 10 1 1 A 18 18 CYS HA H 18 4.470 4.271 0.199 1
1 132 . 10 1 1 A 18 18 CYS N N 18 113.000 114.589 -1.589 1
1 133 . 10 1 1 A 19 19 LYS H H 19 8.100 7.974 0.126 1
1 134 . 10 1 1 A 19 19 LYS HA H 19 4.290 4.026 0.264 1
1 142 . 10 1 1 A 19 19 LYS N N 19 123.450 121.244 2.206 1
1 143 . 10 1 1 A 20 20 ASP H H 20 9.150 8.191 0.959 1
1 144 . 10 1 1 A 20 20 ASP HA H 20 4.390 4.386 0.004 1
1 147 . 10 1 1 A 20 20 ASP N N 20 122.450 119.930 2.520 1
1 148 . 10 1 1 A 21 21 ALA H H 21 7.380 7.425 -0.045 1
1 149 . 10 1 1 A 21 21 ALA HA H 21 4.480 4.136 0.344 1
1 153 . 10 1 1 A 21 21 ALA N N 21 119.470 118.999 0.471 1
1 154 . 10 1 1 A 22 22 GLY H H 22 8.090 7.518 0.572 1
1 155 . 10 1 1 A 22 22 GLY HA2 H 22 4.160 4.051 0.109 1
1 156 . 10 1 1 A 22 22 GLY HA3 H 22 3.870 4.053 -0.183 1
1 157 . 10 1 1 A 22 22 GLY N N 22 106.540 104.838 1.702 1
1 158 . 10 1 1 A 23 23 MET H H 23 8.180 7.636 0.544 1
1 159 . 10 1 1 A 23 23 MET HA H 23 4.650 5.007 -0.357 1
1 167 . 10 1 1 A 23 23 MET N N 23 118.970 118.400 0.570 1
1 168 . 10 1 1 A 24 24 ARG H H 24 8.430 8.555 -0.125 1
1 169 . 10 1 1 A 24 24 ARG HA H 24 4.480 4.116 0.364 1
1 177 . 10 1 1 A 24 24 ARG N N 24 115.490 122.766 -7.276 1
1 178 . 10 1 1 A 25 25 PHE H H 25 8.200 7.318 0.882 1
1 179 . 10 1 1 A 25 25 PHE HA H 25 4.490 4.864 -0.374 1
1 182 . 10 1 1 A 25 25 PHE N N 25 114.490 115.954 -1.464 1
1 183 . 10 1 1 A 26 26 GLY H H 26 7.910 8.834 -0.924 1
1 184 . 10 1 1 A 26 26 GLY HA2 H 26 4.650 4.271 0.379 1
1 185 . 10 1 1 A 26 26 GLY HA3 H 26 3.820 4.285 -0.465 1
1 186 . 10 1 1 A 26 26 GLY N N 26 107.030 108.891 -1.861 1
1 187 . 10 1 1 A 27 27 LYS H H 27 8.800 8.855 -0.055 1
1 188 . 10 1 1 A 27 27 LYS HA H 27 4.640 4.982 -0.342 1
1 194 . 10 1 1 A 27 27 LYS N N 27 121.950 121.980 -0.030 1
1 195 . 10 1 1 A 28 28 CYS H H 28 8.840 9.059 -0.219 1
1 196 . 10 1 1 A 28 28 CYS HA H 28 4.910 5.400 -0.490 1
1 199 . 10 1 1 A 28 28 CYS N N 28 125.430 122.676 2.754 1
1 200 . 10 1 1 A 29 29 MET H H 29 8.850 8.492 0.358 1
1 201 . 10 1 1 A 29 29 MET HA H 29 4.650 4.724 -0.074 1
1 209 . 10 1 1 A 29 29 MET N N 29 128.920 124.724 4.196 1
1 210 . 10 1 1 A 30 30 ASN H H 30 9.440 8.609 0.831 1
1 211 . 10 1 1 A 30 30 ASN HA H 30 4.340 4.470 -0.130 1
1 216 . 10 1 1 A 30 30 ASN N N 30 124.440 118.770 5.670 1
1 218 . 10 1 1 A 31 31 ARG H H 31 8.580 8.932 -0.352 1
1 219 . 10 1 1 A 31 31 ARG HA H 31 4.100 3.845 0.255 1
1 227 . 10 1 1 A 31 31 ARG N N 31 106.040 121.840 -15.800 1
1 228 . 10 1 1 A 32 32 LYS H H 32 7.840 7.370 0.470 1
1 229 . 10 1 1 A 32 32 LYS HA H 32 5.320 4.694 0.626 1
1 238 . 10 1 1 A 32 32 LYS N N 32 118.970 117.817 1.153 1
1 239 . 10 1 1 A 33 33 CYS H H 33 8.610 8.430 0.180 1
1 240 . 10 1 1 A 33 33 CYS HA H 33 5.090 4.760 0.330 1
1 243 . 10 1 1 A 33 33 CYS N N 33 121.460 123.115 -1.655 1
1 244 . 10 1 1 A 34 34 HIS H H 34 9.490 8.760 0.730 1
1 245 . 10 1 1 A 34 34 HIS HA H 34 5.210 5.087 0.123 1
1 250 . 10 1 1 A 34 34 HIS N N 34 120.460 120.589 -0.129 1
1 251 . 10 1 1 A 35 35 CYS H H 35 9.180 8.346 0.834 1
1 252 . 10 1 1 A 35 35 CYS HA H 35 5.330 4.914 0.416 1
1 255 . 10 1 1 A 35 35 CYS N N 35 120.460 122.805 -2.345 1
1 256 . 10 1 1 A 36 36 THR H H 36 8.800 8.517 0.283 1
1 257 . 10 1 1 A 36 36 THR HA H 36 4.980 4.798 0.182 1
1 260 . 10 1 1 A 36 36 THR N N 36 117.980 118.768 -0.788 1
1 261 . 10 1 1 A 37 37 PRO HA H 37 4.470 4.506 -0.036 1
1 5 . 11 1 1 A 2 2 VAL H H 2 8.950 8.626 0.324 1
1 6 . 11 1 1 A 2 2 VAL HA H 2 4.590 4.461 0.129 1
1 14 . 11 1 1 A 2 2 VAL N N 2 120.960 125.967 -5.007 1
1 15 . 11 1 1 A 3 3 PRO HA H 3 4.550 4.600 -0.050 1
1 22 . 11 1 1 A 4 4 ILE H H 4 8.210 7.840 0.370 1
1 23 . 11 1 1 A 4 4 ILE HA H 4 4.530 4.798 -0.268 1
1 33 . 11 1 1 A 4 4 ILE N N 4 114.990 117.015 -2.025 1
1 34 . 11 1 1 A 5 5 ASN H H 5 8.720 8.697 0.023 1
1 35 . 11 1 1 A 5 5 ASN HA H 5 4.800 4.984 -0.184 1
1 40 . 11 1 1 A 5 5 ASN N N 5 120.960 121.194 -0.234 1
1 42 . 11 1 1 A 6 6 VAL H H 6 8.020 7.777 0.243 1
1 43 . 11 1 1 A 6 6 VAL HA H 6 4.200 4.596 -0.396 1
1 51 . 11 1 1 A 6 6 VAL N N 6 121.460 124.857 -3.397 1
1 52 . 11 1 1 A 7 7 SER H H 7 8.640 8.973 -0.333 1
1 53 . 11 1 1 A 7 7 SER HA H 7 5.080 4.939 0.141 1
1 56 . 11 1 1 A 7 7 SER N N 7 122.450 121.713 0.737 1
1 57 . 11 1 1 A 8 8 CYS H H 8 7.990 8.821 -0.831 1
1 58 . 11 1 1 A 8 8 CYS HA H 8 4.940 5.207 -0.267 1
1 61 . 11 1 1 A 8 8 CYS N N 8 114.990 123.757 -8.767 1
1 62 . 11 1 1 A 9 9 THR H H 9 9.330 8.659 0.671 1
1 63 . 11 1 1 A 9 9 THR HA H 9 4.470 4.610 -0.140 1
1 68 . 11 1 1 A 9 9 THR N N 9 108.530 117.092 -8.562 1
1 69 . 11 1 1 A 10 10 GLY H H 10 7.720 8.574 -0.854 1
1 70 . 11 1 1 A 10 10 GLY HA2 H 10 4.510 4.154 0.356 1
1 71 . 11 1 1 A 10 10 GLY HA3 H 10 4.070 4.154 -0.084 1
1 72 . 11 1 1 A 10 10 GLY N N 10 109.520 117.340 -7.820 1
1 73 . 11 1 1 A 11 11 SER H H 11 9.360 8.870 0.490 1
1 74 . 11 1 1 A 11 11 SER HA H 11 4.210 4.274 -0.064 1
1 76 . 11 1 1 A 11 11 SER N N 11 119.470 117.054 2.416 1
1 77 . 11 1 1 A 12 12 PRO HA H 12 4.360 4.323 0.037 1
1 84 . 11 1 1 A 13 13 GLN H H 13 7.330 8.340 -1.010 1
1 85 . 11 1 1 A 13 13 GLN HA H 13 4.220 3.983 0.237 1
1 92 . 11 1 1 A 13 13 GLN N N 13 112.500 116.142 -3.642 1
1 94 . 11 1 1 A 14 14 CYS H H 14 8.300 7.815 0.485 1
1 95 . 11 1 1 A 14 14 CYS HA H 14 4.800 4.429 0.371 1
1 98 . 11 1 1 A 14 14 CYS N N 14 112.500 117.688 -5.188 1
1 99 . 11 1 1 A 15 15 ILE H H 15 7.220 7.773 -0.553 1
1 100 . 11 1 1 A 15 15 ILE HA H 15 3.820 3.734 0.086 1
1 110 . 11 1 1 A 15 15 ILE N N 15 121.950 122.194 -0.244 1
1 111 . 11 1 1 A 16 16 LYS H H 16 9.020 8.370 0.650 1
1 112 . 11 1 1 A 16 16 LYS HA H 16 4.290 4.133 0.157 1
1 120 . 11 1 1 A 16 16 LYS N N 16 119.960 120.570 -0.610 1
1 121 . 11 1 1 A 17 17 PRO HA H 17 4.370 4.137 0.233 1
1 128 . 11 1 1 A 18 18 CYS H H 18 7.670 7.686 -0.016 1
1 129 . 11 1 1 A 18 18 CYS HA H 18 4.470 4.243 0.227 1
1 132 . 11 1 1 A 18 18 CYS N N 18 113.000 114.672 -1.672 1
1 133 . 11 1 1 A 19 19 LYS H H 19 8.100 7.993 0.107 1
1 134 . 11 1 1 A 19 19 LYS HA H 19 4.290 3.884 0.406 1
1 142 . 11 1 1 A 19 19 LYS N N 19 123.450 121.663 1.787 1
1 143 . 11 1 1 A 20 20 ASP H H 20 9.150 8.194 0.956 1
1 144 . 11 1 1 A 20 20 ASP HA H 20 4.390 4.374 0.016 1
1 147 . 11 1 1 A 20 20 ASP N N 20 122.450 120.316 2.134 1
1 148 . 11 1 1 A 21 21 ALA H H 21 7.380 7.442 -0.062 1
1 149 . 11 1 1 A 21 21 ALA HA H 21 4.480 4.117 0.363 1
1 153 . 11 1 1 A 21 21 ALA N N 21 119.470 118.898 0.572 1
1 154 . 11 1 1 A 22 22 GLY H H 22 8.090 7.577 0.513 1
1 155 . 11 1 1 A 22 22 GLY HA2 H 22 4.160 4.057 0.103 1
1 156 . 11 1 1 A 22 22 GLY HA3 H 22 3.870 4.061 -0.191 1
1 157 . 11 1 1 A 22 22 GLY N N 22 106.540 105.098 1.442 1
1 158 . 11 1 1 A 23 23 MET H H 23 8.180 7.635 0.545 1
1 159 . 11 1 1 A 23 23 MET HA H 23 4.650 5.024 -0.374 1
1 167 . 11 1 1 A 23 23 MET N N 23 118.970 118.616 0.354 1
1 168 . 11 1 1 A 24 24 ARG H H 24 8.430 8.899 -0.469 1
1 169 . 11 1 1 A 24 24 ARG HA H 24 4.480 4.183 0.297 1
1 177 . 11 1 1 A 24 24 ARG N N 24 115.490 122.275 -6.785 1
1 178 . 11 1 1 A 25 25 PHE H H 25 8.200 7.367 0.833 1
1 179 . 11 1 1 A 25 25 PHE HA H 25 4.490 4.788 -0.298 1
1 182 . 11 1 1 A 25 25 PHE N N 25 114.490 116.877 -2.387 1
1 183 . 11 1 1 A 26 26 GLY H H 26 7.910 8.872 -0.962 1
1 184 . 11 1 1 A 26 26 GLY HA2 H 26 4.650 4.268 0.382 1
1 185 . 11 1 1 A 26 26 GLY HA3 H 26 3.820 4.282 -0.462 1
1 186 . 11 1 1 A 26 26 GLY N N 26 107.030 109.040 -2.010 1
1 187 . 11 1 1 A 27 27 LYS H H 27 8.800 8.872 -0.072 1
1 188 . 11 1 1 A 27 27 LYS HA H 27 4.640 5.006 -0.366 1
1 194 . 11 1 1 A 27 27 LYS N N 27 121.950 125.715 -3.765 1
1 195 . 11 1 1 A 28 28 CYS H H 28 8.840 9.178 -0.338 1
1 196 . 11 1 1 A 28 28 CYS HA H 28 4.910 5.412 -0.502 1
1 199 . 11 1 1 A 28 28 CYS N N 28 125.430 126.860 -1.430 1
1 200 . 11 1 1 A 29 29 MET H H 29 8.850 8.542 0.308 1
1 201 . 11 1 1 A 29 29 MET HA H 29 4.650 4.774 -0.124 1
1 209 . 11 1 1 A 29 29 MET N N 29 128.920 125.052 3.868 1
1 210 . 11 1 1 A 30 30 ASN H H 30 9.440 8.651 0.789 1
1 211 . 11 1 1 A 30 30 ASN HA H 30 4.340 4.500 -0.160 1
1 216 . 11 1 1 A 30 30 ASN N N 30 124.440 118.813 5.627 1
1 218 . 11 1 1 A 31 31 ARG H H 31 8.580 8.919 -0.339 1
1 219 . 11 1 1 A 31 31 ARG HA H 31 4.100 3.839 0.261 1
1 227 . 11 1 1 A 31 31 ARG N N 31 106.040 122.462 -16.422 1
1 228 . 11 1 1 A 32 32 LYS H H 32 7.840 7.346 0.494 1
1 229 . 11 1 1 A 32 32 LYS HA H 32 5.320 4.584 0.736 1
1 238 . 11 1 1 A 32 32 LYS N N 32 118.970 117.364 1.606 1
1 239 . 11 1 1 A 33 33 CYS H H 33 8.610 8.269 0.341 1
1 240 . 11 1 1 A 33 33 CYS HA H 33 5.090 4.724 0.366 1
1 243 . 11 1 1 A 33 33 CYS N N 33 121.460 123.380 -1.920 1
1 244 . 11 1 1 A 34 34 HIS H H 34 9.490 8.880 0.610 1
1 245 . 11 1 1 A 34 34 HIS HA H 34 5.210 5.034 0.176 1
1 250 . 11 1 1 A 34 34 HIS N N 34 120.460 120.503 -0.043 1
1 251 . 11 1 1 A 35 35 CYS H H 35 9.180 8.597 0.583 1
1 252 . 11 1 1 A 35 35 CYS HA H 35 5.330 5.270 0.060 1
1 255 . 11 1 1 A 35 35 CYS N N 35 120.460 123.036 -2.576 1
1 256 . 11 1 1 A 36 36 THR H H 36 8.800 8.735 0.065 1
1 257 . 11 1 1 A 36 36 THR HA H 36 4.980 4.728 0.252 1
1 260 . 11 1 1 A 36 36 THR N N 36 117.980 121.580 -3.600 1
1 261 . 11 1 1 A 37 37 PRO HA H 37 4.470 4.668 -0.198 1
1 5 . 12 1 1 A 2 2 VAL H H 2 8.950 8.876 0.074 1
1 6 . 12 1 1 A 2 2 VAL HA H 2 4.590 4.537 0.053 1
1 14 . 12 1 1 A 2 2 VAL N N 2 120.960 126.453 -5.493 1
1 15 . 12 1 1 A 3 3 PRO HA H 3 4.550 4.357 0.193 1
1 22 . 12 1 1 A 4 4 ILE H H 4 8.210 7.828 0.382 1
1 23 . 12 1 1 A 4 4 ILE HA H 4 4.530 4.559 -0.029 1
1 33 . 12 1 1 A 4 4 ILE N N 4 114.990 117.770 -2.780 1
1 34 . 12 1 1 A 5 5 ASN H H 5 8.720 8.667 0.053 1
1 35 . 12 1 1 A 5 5 ASN HA H 5 4.800 4.957 -0.157 1
1 40 . 12 1 1 A 5 5 ASN N N 5 120.960 121.976 -1.016 1
1 42 . 12 1 1 A 6 6 VAL H H 6 8.020 7.806 0.214 1
1 43 . 12 1 1 A 6 6 VAL HA H 6 4.200 4.599 -0.399 1
1 51 . 12 1 1 A 6 6 VAL N N 6 121.460 125.113 -3.653 1
1 52 . 12 1 1 A 7 7 SER H H 7 8.640 8.956 -0.316 1
1 53 . 12 1 1 A 7 7 SER HA H 7 5.080 4.877 0.203 1
1 56 . 12 1 1 A 7 7 SER N N 7 122.450 121.895 0.555 1
1 57 . 12 1 1 A 8 8 CYS H H 8 7.990 8.603 -0.613 1
1 58 . 12 1 1 A 8 8 CYS HA H 8 4.940 5.039 -0.099 1
1 61 . 12 1 1 A 8 8 CYS N N 8 114.990 124.042 -9.052 1
1 62 . 12 1 1 A 9 9 THR H H 9 9.330 8.663 0.667 1
1 63 . 12 1 1 A 9 9 THR HA H 9 4.470 4.613 -0.143 1
1 68 . 12 1 1 A 9 9 THR N N 9 108.530 116.912 -8.382 1
1 69 . 12 1 1 A 10 10 GLY H H 10 7.720 8.642 -0.922 1
1 70 . 12 1 1 A 10 10 GLY HA2 H 10 4.510 4.126 0.384 1
1 71 . 12 1 1 A 10 10 GLY HA3 H 10 4.070 4.127 -0.057 1
1 72 . 12 1 1 A 10 10 GLY N N 10 109.520 117.413 -7.893 1
1 73 . 12 1 1 A 11 11 SER H H 11 9.360 8.852 0.508 1
1 74 . 12 1 1 A 11 11 SER HA H 11 4.210 4.243 -0.033 1
1 76 . 12 1 1 A 11 11 SER N N 11 119.470 116.996 2.474 1
1 77 . 12 1 1 A 12 12 PRO HA H 12 4.360 4.325 0.035 1
1 84 . 12 1 1 A 13 13 GLN H H 13 7.330 8.338 -1.008 1
1 85 . 12 1 1 A 13 13 GLN HA H 13 4.220 3.981 0.239 1
1 92 . 12 1 1 A 13 13 GLN N N 13 112.500 116.214 -3.714 1
1 94 . 12 1 1 A 14 14 CYS H H 14 8.300 7.952 0.348 1
1 95 . 12 1 1 A 14 14 CYS HA H 14 4.800 4.513 0.287 1
1 98 . 12 1 1 A 14 14 CYS N N 14 112.500 117.630 -5.130 1
1 99 . 12 1 1 A 15 15 ILE H H 15 7.220 7.742 -0.522 1
1 100 . 12 1 1 A 15 15 ILE HA H 15 3.820 3.732 0.088 1
1 110 . 12 1 1 A 15 15 ILE N N 15 121.950 122.707 -0.757 1
1 111 . 12 1 1 A 16 16 LYS H H 16 9.020 8.401 0.619 1
1 112 . 12 1 1 A 16 16 LYS HA H 16 4.290 4.134 0.156 1
1 120 . 12 1 1 A 16 16 LYS N N 16 119.960 120.542 -0.582 1
1 121 . 12 1 1 A 17 17 PRO HA H 17 4.370 4.159 0.211 1
1 128 . 12 1 1 A 18 18 CYS H H 18 7.670 7.622 0.048 1
1 129 . 12 1 1 A 18 18 CYS HA H 18 4.470 4.258 0.212 1
1 132 . 12 1 1 A 18 18 CYS N N 18 113.000 114.619 -1.619 1
1 133 . 12 1 1 A 19 19 LYS H H 19 8.100 8.002 0.098 1
1 134 . 12 1 1 A 19 19 LYS HA H 19 4.290 3.920 0.370 1
1 142 . 12 1 1 A 19 19 LYS N N 19 123.450 120.128 3.322 1
1 143 . 12 1 1 A 20 20 ASP H H 20 9.150 8.425 0.725 1
1 144 . 12 1 1 A 20 20 ASP HA H 20 4.390 4.287 0.103 1
1 147 . 12 1 1 A 20 20 ASP N N 20 122.450 119.837 2.613 1
1 148 . 12 1 1 A 21 21 ALA H H 21 7.380 7.388 -0.008 1
1 149 . 12 1 1 A 21 21 ALA HA H 21 4.480 4.124 0.356 1
1 153 . 12 1 1 A 21 21 ALA N N 21 119.470 119.355 0.115 1
1 154 . 12 1 1 A 22 22 GLY H H 22 8.090 7.634 0.456 1
1 155 . 12 1 1 A 22 22 GLY HA2 H 22 4.160 4.027 0.133 1
1 156 . 12 1 1 A 22 22 GLY HA3 H 22 3.870 4.033 -0.163 1
1 157 . 12 1 1 A 22 22 GLY N N 22 106.540 105.677 0.863 1
1 158 . 12 1 1 A 23 23 MET H H 23 8.180 7.409 0.771 1
1 159 . 12 1 1 A 23 23 MET HA H 23 4.650 5.016 -0.366 1
1 167 . 12 1 1 A 23 23 MET N N 23 118.970 118.881 0.089 1
1 168 . 12 1 1 A 24 24 ARG H H 24 8.430 8.909 -0.479 1
1 169 . 12 1 1 A 24 24 ARG HA H 24 4.480 4.099 0.381 1
1 177 . 12 1 1 A 24 24 ARG N N 24 115.490 121.222 -5.732 1
1 178 . 12 1 1 A 25 25 PHE H H 25 8.200 7.614 0.586 1
1 179 . 12 1 1 A 25 25 PHE HA H 25 4.490 5.195 -0.705 1
1 182 . 12 1 1 A 25 25 PHE N N 25 114.490 114.491 -0.001 1
1 183 . 12 1 1 A 26 26 GLY H H 26 7.910 8.770 -0.860 1
1 184 . 12 1 1 A 26 26 GLY HA2 H 26 4.650 4.272 0.378 1
1 185 . 12 1 1 A 26 26 GLY HA3 H 26 3.820 4.283 -0.463 1
1 186 . 12 1 1 A 26 26 GLY N N 26 107.030 109.353 -2.323 1
1 187 . 12 1 1 A 27 27 LYS H H 27 8.800 8.801 -0.001 1
1 188 . 12 1 1 A 27 27 LYS HA H 27 4.640 4.791 -0.151 1
1 194 . 12 1 1 A 27 27 LYS N N 27 121.950 124.790 -2.840 1
1 195 . 12 1 1 A 28 28 CYS H H 28 8.840 9.108 -0.268 1
1 196 . 12 1 1 A 28 28 CYS HA H 28 4.910 5.364 -0.454 1
1 199 . 12 1 1 A 28 28 CYS N N 28 125.430 124.899 0.531 1
1 200 . 12 1 1 A 29 29 MET H H 29 8.850 8.367 0.483 1
1 201 . 12 1 1 A 29 29 MET HA H 29 4.650 4.634 0.016 1
1 209 . 12 1 1 A 29 29 MET N N 29 128.920 124.956 3.964 1
1 210 . 12 1 1 A 30 30 ASN H H 30 9.440 8.683 0.757 1
1 211 . 12 1 1 A 30 30 ASN HA H 30 4.340 4.462 -0.122 1
1 216 . 12 1 1 A 30 30 ASN N N 30 124.440 118.798 5.642 1
1 218 . 12 1 1 A 31 31 ARG H H 31 8.580 8.905 -0.325 1
1 219 . 12 1 1 A 31 31 ARG HA H 31 4.100 3.903 0.197 1
1 227 . 12 1 1 A 31 31 ARG N N 31 106.040 121.185 -15.145 1
1 228 . 12 1 1 A 32 32 LYS H H 32 7.840 7.361 0.479 1
1 229 . 12 1 1 A 32 32 LYS HA H 32 5.320 4.705 0.615 1
1 238 . 12 1 1 A 32 32 LYS N N 32 118.970 117.990 0.980 1
1 239 . 12 1 1 A 33 33 CYS H H 33 8.610 8.320 0.290 1
1 240 . 12 1 1 A 33 33 CYS HA H 33 5.090 4.710 0.380 1
1 243 . 12 1 1 A 33 33 CYS N N 33 121.460 123.074 -1.614 1
1 244 . 12 1 1 A 34 34 HIS H H 34 9.490 8.782 0.708 1
1 245 . 12 1 1 A 34 34 HIS HA H 34 5.210 5.110 0.100 1
1 250 . 12 1 1 A 34 34 HIS N N 34 120.460 120.381 0.079 1
1 251 . 12 1 1 A 35 35 CYS H H 35 9.180 8.328 0.852 1
1 252 . 12 1 1 A 35 35 CYS HA H 35 5.330 5.169 0.161 1
1 255 . 12 1 1 A 35 35 CYS N N 35 120.460 122.652 -2.192 1
1 256 . 12 1 1 A 36 36 THR H H 36 8.800 8.487 0.313 1
1 257 . 12 1 1 A 36 36 THR HA H 36 4.980 4.746 0.234 1
1 260 . 12 1 1 A 36 36 THR N N 36 117.980 120.863 -2.883 1
1 261 . 12 1 1 A 37 37 PRO HA H 37 4.470 4.699 -0.229 1
1 5 . 13 1 1 A 2 2 VAL H H 2 8.950 8.057 0.893 1
1 6 . 13 1 1 A 2 2 VAL HA H 2 4.590 4.296 0.294 1
1 14 . 13 1 1 A 2 2 VAL N N 2 120.960 123.486 -2.526 1
1 15 . 13 1 1 A 3 3 PRO HA H 3 4.550 4.485 0.065 1
1 22 . 13 1 1 A 4 4 ILE H H 4 8.210 7.801 0.409 1
1 23 . 13 1 1 A 4 4 ILE HA H 4 4.530 4.439 0.091 1
1 33 . 13 1 1 A 4 4 ILE N N 4 114.990 117.804 -2.814 1
1 34 . 13 1 1 A 5 5 ASN H H 5 8.720 8.703 0.017 1
1 35 . 13 1 1 A 5 5 ASN HA H 5 4.800 4.980 -0.180 1
1 40 . 13 1 1 A 5 5 ASN N N 5 120.960 122.678 -1.718 1
1 42 . 13 1 1 A 6 6 VAL H H 6 8.020 7.783 0.237 1
1 43 . 13 1 1 A 6 6 VAL HA H 6 4.200 4.571 -0.371 1
1 51 . 13 1 1 A 6 6 VAL N N 6 121.460 125.090 -3.630 1
1 52 . 13 1 1 A 7 7 SER H H 7 8.640 8.996 -0.356 1
1 53 . 13 1 1 A 7 7 SER HA H 7 5.080 4.900 0.180 1
1 56 . 13 1 1 A 7 7 SER N N 7 122.450 121.686 0.764 1
1 57 . 13 1 1 A 8 8 CYS H H 8 7.990 8.794 -0.804 1
1 58 . 13 1 1 A 8 8 CYS HA H 8 4.940 5.143 -0.203 1
1 61 . 13 1 1 A 8 8 CYS N N 8 114.990 123.615 -8.625 1
1 62 . 13 1 1 A 9 9 THR H H 9 9.330 8.663 0.667 1
1 63 . 13 1 1 A 9 9 THR HA H 9 4.470 4.613 -0.143 1
1 68 . 13 1 1 A 9 9 THR N N 9 108.530 117.239 -8.709 1
1 69 . 13 1 1 A 10 10 GLY H H 10 7.720 8.518 -0.798 1
1 70 . 13 1 1 A 10 10 GLY HA2 H 10 4.510 4.175 0.335 1
1 71 . 13 1 1 A 10 10 GLY HA3 H 10 4.070 4.176 -0.106 1
1 72 . 13 1 1 A 10 10 GLY N N 10 109.520 116.963 -7.443 1
1 73 . 13 1 1 A 11 11 SER H H 11 9.360 8.728 0.632 1
1 74 . 13 1 1 A 11 11 SER HA H 11 4.210 4.342 -0.132 1
1 76 . 13 1 1 A 11 11 SER N N 11 119.470 116.034 3.436 1
1 77 . 13 1 1 A 12 12 PRO HA H 12 4.360 4.422 -0.062 1
1 84 . 13 1 1 A 13 13 GLN H H 13 7.330 8.429 -1.099 1
1 85 . 13 1 1 A 13 13 GLN HA H 13 4.220 3.989 0.231 1
1 92 . 13 1 1 A 13 13 GLN N N 13 112.500 116.470 -3.970 1
1 94 . 13 1 1 A 14 14 CYS H H 14 8.300 8.337 -0.037 1
1 95 . 13 1 1 A 14 14 CYS HA H 14 4.800 4.478 0.322 1
1 98 . 13 1 1 A 14 14 CYS N N 14 112.500 117.664 -5.164 1
1 99 . 13 1 1 A 15 15 ILE H H 15 7.220 7.493 -0.273 1
1 100 . 13 1 1 A 15 15 ILE HA H 15 3.820 3.697 0.123 1
1 110 . 13 1 1 A 15 15 ILE N N 15 121.950 122.752 -0.802 1
1 111 . 13 1 1 A 16 16 LYS H H 16 9.020 8.036 0.984 1
1 112 . 13 1 1 A 16 16 LYS HA H 16 4.290 4.077 0.213 1
1 120 . 13 1 1 A 16 16 LYS N N 16 119.960 119.323 0.637 1
1 121 . 13 1 1 A 17 17 PRO HA H 17 4.370 4.157 0.213 1
1 128 . 13 1 1 A 18 18 CYS H H 18 7.670 7.727 -0.057 1
1 129 . 13 1 1 A 18 18 CYS HA H 18 4.470 4.247 0.223 1
1 132 . 13 1 1 A 18 18 CYS N N 18 113.000 114.588 -1.588 1
1 133 . 13 1 1 A 19 19 LYS H H 19 8.100 7.900 0.200 1
1 134 . 13 1 1 A 19 19 LYS HA H 19 4.290 4.021 0.269 1
1 142 . 13 1 1 A 19 19 LYS N N 19 123.450 121.405 2.045 1
1 143 . 13 1 1 A 20 20 ASP H H 20 9.150 8.447 0.703 1
1 144 . 13 1 1 A 20 20 ASP HA H 20 4.390 4.308 0.082 1
1 147 . 13 1 1 A 20 20 ASP N N 20 122.450 116.944 5.506 1
1 148 . 13 1 1 A 21 21 ALA H H 21 7.380 7.413 -0.033 1
1 149 . 13 1 1 A 21 21 ALA HA H 21 4.480 4.113 0.367 1
1 153 . 13 1 1 A 21 21 ALA N N 21 119.470 119.765 -0.295 1
1 154 . 13 1 1 A 22 22 GLY H H 22 8.090 7.446 0.644 1
1 155 . 13 1 1 A 22 22 GLY HA2 H 22 4.160 4.049 0.111 1
1 156 . 13 1 1 A 22 22 GLY HA3 H 22 3.870 4.054 -0.184 1
1 157 . 13 1 1 A 22 22 GLY N N 22 106.540 104.828 1.712 1
1 158 . 13 1 1 A 23 23 MET H H 23 8.180 7.604 0.576 1
1 159 . 13 1 1 A 23 23 MET HA H 23 4.650 5.056 -0.406 1
1 167 . 13 1 1 A 23 23 MET N N 23 118.970 117.934 1.036 1
1 168 . 13 1 1 A 24 24 ARG H H 24 8.430 8.760 -0.330 1
1 169 . 13 1 1 A 24 24 ARG HA H 24 4.480 4.139 0.341 1
1 177 . 13 1 1 A 24 24 ARG N N 24 115.490 121.326 -5.836 1
1 178 . 13 1 1 A 25 25 PHE H H 25 8.200 7.315 0.885 1
1 179 . 13 1 1 A 25 25 PHE HA H 25 4.490 5.040 -0.550 1
1 182 . 13 1 1 A 25 25 PHE N N 25 114.490 115.022 -0.532 1
1 183 . 13 1 1 A 26 26 GLY H H 26 7.910 8.788 -0.878 1
1 184 . 13 1 1 A 26 26 GLY HA2 H 26 4.650 4.292 0.358 1
1 185 . 13 1 1 A 26 26 GLY HA3 H 26 3.820 4.307 -0.487 1
1 186 . 13 1 1 A 26 26 GLY N N 26 107.030 108.842 -1.812 1
1 187 . 13 1 1 A 27 27 LYS H H 27 8.800 8.771 0.029 1
1 188 . 13 1 1 A 27 27 LYS HA H 27 4.640 4.960 -0.320 1
1 194 . 13 1 1 A 27 27 LYS N N 27 121.950 121.579 0.371 1
1 195 . 13 1 1 A 28 28 CYS H H 28 8.840 9.093 -0.253 1
1 196 . 13 1 1 A 28 28 CYS HA H 28 4.910 5.420 -0.510 1
1 199 . 13 1 1 A 28 28 CYS N N 28 125.430 123.014 2.416 1
1 200 . 13 1 1 A 29 29 MET H H 29 8.850 8.559 0.291 1
1 201 . 13 1 1 A 29 29 MET HA H 29 4.650 4.693 -0.043 1
1 209 . 13 1 1 A 29 29 MET N N 29 128.920 124.737 4.183 1
1 210 . 13 1 1 A 30 30 ASN H H 30 9.440 8.624 0.816 1
1 211 . 13 1 1 A 30 30 ASN HA H 30 4.340 4.493 -0.153 1
1 216 . 13 1 1 A 30 30 ASN N N 30 124.440 118.813 5.627 1
1 218 . 13 1 1 A 31 31 ARG H H 31 8.580 8.916 -0.336 1
1 219 . 13 1 1 A 31 31 ARG HA H 31 4.100 3.840 0.260 1
1 227 . 13 1 1 A 31 31 ARG N N 31 106.040 122.717 -16.677 1
1 228 . 13 1 1 A 32 32 LYS H H 32 7.840 7.349 0.491 1
1 229 . 13 1 1 A 32 32 LYS HA H 32 5.320 4.604 0.716 1
1 238 . 13 1 1 A 32 32 LYS N N 32 118.970 117.347 1.623 1
1 239 . 13 1 1 A 33 33 CYS H H 33 8.610 8.329 0.281 1
1 240 . 13 1 1 A 33 33 CYS HA H 33 5.090 4.760 0.330 1
1 243 . 13 1 1 A 33 33 CYS N N 33 121.460 123.495 -2.035 1
1 244 . 13 1 1 A 34 34 HIS H H 34 9.490 8.831 0.659 1
1 245 . 13 1 1 A 34 34 HIS HA H 34 5.210 4.978 0.232 1
1 250 . 13 1 1 A 34 34 HIS N N 34 120.460 120.043 0.417 1
1 251 . 13 1 1 A 35 35 CYS H H 35 9.180 8.429 0.751 1
1 252 . 13 1 1 A 35 35 CYS HA H 35 5.330 4.984 0.346 1
1 255 . 13 1 1 A 35 35 CYS N N 35 120.460 122.981 -2.521 1
1 256 . 13 1 1 A 36 36 THR H H 36 8.800 8.542 0.258 1
1 257 . 13 1 1 A 36 36 THR HA H 36 4.980 4.849 0.131 1
1 260 . 13 1 1 A 36 36 THR N N 36 117.980 118.521 -0.541 1
1 261 . 13 1 1 A 37 37 PRO HA H 37 4.470 4.566 -0.096 1
1 5 . 14 1 1 A 2 2 VAL H H 2 8.950 8.616 0.334 1
1 6 . 14 1 1 A 2 2 VAL HA H 2 4.590 4.727 -0.137 1
1 14 . 14 1 1 A 2 2 VAL N N 2 120.960 119.516 1.444 1
1 15 . 14 1 1 A 3 3 PRO HA H 3 4.550 4.333 0.217 1
1 22 . 14 1 1 A 4 4 ILE H H 4 8.210 7.990 0.220 1
1 23 . 14 1 1 A 4 4 ILE HA H 4 4.530 4.655 -0.125 1
1 33 . 14 1 1 A 4 4 ILE N N 4 114.990 117.100 -2.110 1
1 34 . 14 1 1 A 5 5 ASN H H 5 8.720 8.780 -0.060 1
1 35 . 14 1 1 A 5 5 ASN HA H 5 4.800 4.989 -0.189 1
1 40 . 14 1 1 A 5 5 ASN N N 5 120.960 122.383 -1.423 1
1 42 . 14 1 1 A 6 6 VAL H H 6 8.020 7.782 0.238 1
1 43 . 14 1 1 A 6 6 VAL HA H 6 4.200 4.588 -0.388 1
1 51 . 14 1 1 A 6 6 VAL N N 6 121.460 125.133 -3.673 1
1 52 . 14 1 1 A 7 7 SER H H 7 8.640 8.943 -0.303 1
1 53 . 14 1 1 A 7 7 SER HA H 7 5.080 4.812 0.268 1
1 56 . 14 1 1 A 7 7 SER N N 7 122.450 121.840 0.610 1
1 57 . 14 1 1 A 8 8 CYS H H 8 7.990 8.790 -0.800 1
1 58 . 14 1 1 A 8 8 CYS HA H 8 4.940 5.169 -0.229 1
1 61 . 14 1 1 A 8 8 CYS N N 8 114.990 123.622 -8.632 1
1 62 . 14 1 1 A 9 9 THR H H 9 9.330 8.662 0.668 1
1 63 . 14 1 1 A 9 9 THR HA H 9 4.470 4.611 -0.141 1
1 68 . 14 1 1 A 9 9 THR N N 9 108.530 117.096 -8.566 1
1 69 . 14 1 1 A 10 10 GLY H H 10 7.720 8.527 -0.807 1
1 70 . 14 1 1 A 10 10 GLY HA2 H 10 4.510 4.155 0.355 1
1 71 . 14 1 1 A 10 10 GLY HA3 H 10 4.070 4.155 -0.085 1
1 72 . 14 1 1 A 10 10 GLY N N 10 109.520 117.364 -7.844 1
1 73 . 14 1 1 A 11 11 SER H H 11 9.360 8.857 0.503 1
1 74 . 14 1 1 A 11 11 SER HA H 11 4.210 4.262 -0.052 1
1 76 . 14 1 1 A 11 11 SER N N 11 119.470 117.059 2.411 1
1 77 . 14 1 1 A 12 12 PRO HA H 12 4.360 4.332 0.028 1
1 84 . 14 1 1 A 13 13 GLN H H 13 7.330 8.369 -1.039 1
1 85 . 14 1 1 A 13 13 GLN HA H 13 4.220 3.987 0.233 1
1 92 . 14 1 1 A 13 13 GLN N N 13 112.500 116.213 -3.713 1
1 94 . 14 1 1 A 14 14 CYS H H 14 8.300 7.928 0.372 1
1 95 . 14 1 1 A 14 14 CYS HA H 14 4.800 4.508 0.292 1
1 98 . 14 1 1 A 14 14 CYS N N 14 112.500 117.665 -5.165 1
1 99 . 14 1 1 A 15 15 ILE H H 15 7.220 7.720 -0.500 1
1 100 . 14 1 1 A 15 15 ILE HA H 15 3.820 3.731 0.089 1
1 110 . 14 1 1 A 15 15 ILE N N 15 121.950 122.700 -0.750 1
1 111 . 14 1 1 A 16 16 LYS H H 16 9.020 8.439 0.581 1
1 112 . 14 1 1 A 16 16 LYS HA H 16 4.290 4.162 0.128 1
1 120 . 14 1 1 A 16 16 LYS N N 16 119.960 120.679 -0.719 1
1 121 . 14 1 1 A 17 17 PRO HA H 17 4.370 4.171 0.199 1
1 128 . 14 1 1 A 18 18 CYS H H 18 7.670 7.589 0.081 1
1 129 . 14 1 1 A 18 18 CYS HA H 18 4.470 4.263 0.207 1
1 132 . 14 1 1 A 18 18 CYS N N 18 113.000 114.583 -1.583 1
1 133 . 14 1 1 A 19 19 LYS H H 19 8.100 7.952 0.148 1
1 134 . 14 1 1 A 19 19 LYS HA H 19 4.290 3.905 0.385 1
1 142 . 14 1 1 A 19 19 LYS N N 19 123.450 119.989 3.461 1
1 143 . 14 1 1 A 20 20 ASP H H 20 9.150 8.405 0.745 1
1 144 . 14 1 1 A 20 20 ASP HA H 20 4.390 4.283 0.107 1
1 147 . 14 1 1 A 20 20 ASP N N 20 122.450 119.838 2.612 1
1 148 . 14 1 1 A 21 21 ALA H H 21 7.380 7.379 0.001 1
1 149 . 14 1 1 A 21 21 ALA HA H 21 4.480 4.131 0.349 1
1 153 . 14 1 1 A 21 21 ALA N N 21 119.470 119.304 0.166 1
1 154 . 14 1 1 A 22 22 GLY H H 22 8.090 7.693 0.397 1
1 155 . 14 1 1 A 22 22 GLY HA2 H 22 4.160 4.033 0.127 1
1 156 . 14 1 1 A 22 22 GLY HA3 H 22 3.870 4.038 -0.168 1
1 157 . 14 1 1 A 22 22 GLY N N 22 106.540 105.723 0.817 1
1 158 . 14 1 1 A 23 23 MET H H 23 8.180 7.505 0.675 1
1 159 . 14 1 1 A 23 23 MET HA H 23 4.650 5.053 -0.403 1
1 167 . 14 1 1 A 23 23 MET N N 23 118.970 118.395 0.575 1
1 168 . 14 1 1 A 24 24 ARG H H 24 8.430 8.934 -0.504 1
1 169 . 14 1 1 A 24 24 ARG HA H 24 4.480 4.158 0.322 1
1 177 . 14 1 1 A 24 24 ARG N N 24 115.490 121.725 -6.235 1
1 178 . 14 1 1 A 25 25 PHE H H 25 8.200 7.860 0.340 1
1 179 . 14 1 1 A 25 25 PHE HA H 25 4.490 5.036 -0.546 1
1 182 . 14 1 1 A 25 25 PHE N N 25 114.490 115.302 -0.812 1
1 183 . 14 1 1 A 26 26 GLY H H 26 7.910 8.826 -0.916 1
1 184 . 14 1 1 A 26 26 GLY HA2 H 26 4.650 4.267 0.383 1
1 185 . 14 1 1 A 26 26 GLY HA3 H 26 3.820 4.283 -0.463 1
1 186 . 14 1 1 A 26 26 GLY N N 26 107.030 108.687 -1.657 1
1 187 . 14 1 1 A 27 27 LYS H H 27 8.800 8.816 -0.016 1
1 188 . 14 1 1 A 27 27 LYS HA H 27 4.640 4.992 -0.352 1
1 194 . 14 1 1 A 27 27 LYS N N 27 121.950 125.779 -3.829 1
1 195 . 14 1 1 A 28 28 CYS H H 28 8.840 9.156 -0.316 1
1 196 . 14 1 1 A 28 28 CYS HA H 28 4.910 5.422 -0.512 1
1 199 . 14 1 1 A 28 28 CYS N N 28 125.430 126.115 -0.685 1
1 200 . 14 1 1 A 29 29 MET H H 29 8.850 8.522 0.328 1
1 201 . 14 1 1 A 29 29 MET HA H 29 4.650 4.754 -0.104 1
1 209 . 14 1 1 A 29 29 MET N N 29 128.920 124.769 4.151 1
1 210 . 14 1 1 A 30 30 ASN H H 30 9.440 8.635 0.805 1
1 211 . 14 1 1 A 30 30 ASN HA H 30 4.340 4.482 -0.142 1
1 216 . 14 1 1 A 30 30 ASN N N 30 124.440 118.779 5.661 1
1 218 . 14 1 1 A 31 31 ARG H H 31 8.580 8.936 -0.356 1
1 219 . 14 1 1 A 31 31 ARG HA H 31 4.100 3.868 0.232 1
1 227 . 14 1 1 A 31 31 ARG N N 31 106.040 122.310 -16.270 1
1 228 . 14 1 1 A 32 32 LYS H H 32 7.840 7.369 0.471 1
1 229 . 14 1 1 A 32 32 LYS HA H 32 5.320 4.642 0.678 1
1 238 . 14 1 1 A 32 32 LYS N N 32 118.970 117.650 1.320 1
1 239 . 14 1 1 A 33 33 CYS H H 33 8.610 8.420 0.190 1
1 240 . 14 1 1 A 33 33 CYS HA H 33 5.090 4.716 0.374 1
1 243 . 14 1 1 A 33 33 CYS N N 33 121.460 123.447 -1.987 1
1 244 . 14 1 1 A 34 34 HIS H H 34 9.490 8.835 0.655 1
1 245 . 14 1 1 A 34 34 HIS HA H 34 5.210 5.008 0.202 1
1 250 . 14 1 1 A 34 34 HIS N N 34 120.460 120.523 -0.063 1
1 251 . 14 1 1 A 35 35 CYS H H 35 9.180 8.303 0.877 1
1 252 . 14 1 1 A 35 35 CYS HA H 35 5.330 5.205 0.125 1
1 255 . 14 1 1 A 35 35 CYS N N 35 120.460 122.958 -2.498 1
1 256 . 14 1 1 A 36 36 THR H H 36 8.800 8.639 0.161 1
1 257 . 14 1 1 A 36 36 THR HA H 36 4.980 4.687 0.293 1
1 260 . 14 1 1 A 36 36 THR N N 36 117.980 121.024 -3.044 1
1 261 . 14 1 1 A 37 37 PRO HA H 37 4.470 4.683 -0.213 1
1 5 . 15 1 1 A 2 2 VAL H H 2 8.950 8.445 0.505 1
1 6 . 15 1 1 A 2 2 VAL HA H 2 4.590 4.697 -0.107 1
1 14 . 15 1 1 A 2 2 VAL N N 2 120.960 118.509 2.451 1
1 15 . 15 1 1 A 3 3 PRO HA H 3 4.550 4.900 -0.350 1
1 22 . 15 1 1 A 4 4 ILE H H 4 8.210 8.184 0.026 1
1 23 . 15 1 1 A 4 4 ILE HA H 4 4.530 4.671 -0.141 1
1 33 . 15 1 1 A 4 4 ILE N N 4 114.990 117.084 -2.094 1
1 34 . 15 1 1 A 5 5 ASN H H 5 8.720 8.720 0.000 1
1 35 . 15 1 1 A 5 5 ASN HA H 5 4.800 4.992 -0.192 1
1 40 . 15 1 1 A 5 5 ASN N N 5 120.960 120.815 0.145 1
1 42 . 15 1 1 A 6 6 VAL H H 6 8.020 7.736 0.284 1
1 43 . 15 1 1 A 6 6 VAL HA H 6 4.200 4.568 -0.368 1
1 51 . 15 1 1 A 6 6 VAL N N 6 121.460 124.560 -3.100 1
1 52 . 15 1 1 A 7 7 SER H H 7 8.640 8.966 -0.326 1
1 53 . 15 1 1 A 7 7 SER HA H 7 5.080 5.005 0.075 1
1 56 . 15 1 1 A 7 7 SER N N 7 122.450 121.760 0.690 1
1 57 . 15 1 1 A 8 8 CYS H H 8 7.990 8.609 -0.619 1
1 58 . 15 1 1 A 8 8 CYS HA H 8 4.940 4.873 0.067 1
1 61 . 15 1 1 A 8 8 CYS N N 8 114.990 123.830 -8.840 1
1 62 . 15 1 1 A 9 9 THR H H 9 9.330 8.864 0.466 1
1 63 . 15 1 1 A 9 9 THR HA H 9 4.470 4.374 0.096 1
1 68 . 15 1 1 A 9 9 THR N N 9 108.530 119.103 -10.573 1
1 69 . 15 1 1 A 10 10 GLY H H 10 7.720 7.765 -0.045 1
1 70 . 15 1 1 A 10 10 GLY HA2 H 10 4.510 4.112 0.398 1
1 71 . 15 1 1 A 10 10 GLY HA3 H 10 4.070 4.114 -0.044 1
1 72 . 15 1 1 A 10 10 GLY N N 10 109.520 107.806 1.714 1
1 73 . 15 1 1 A 11 11 SER H H 11 9.360 8.832 0.528 1
1 74 . 15 1 1 A 11 11 SER HA H 11 4.210 4.231 -0.021 1
1 76 . 15 1 1 A 11 11 SER N N 11 119.470 114.536 4.934 1
1 77 . 15 1 1 A 12 12 PRO HA H 12 4.360 4.301 0.059 1
1 84 . 15 1 1 A 13 13 GLN H H 13 7.330 8.394 -1.064 1
1 85 . 15 1 1 A 13 13 GLN HA H 13 4.220 4.018 0.202 1
1 92 . 15 1 1 A 13 13 GLN N N 13 112.500 115.703 -3.203 1
1 94 . 15 1 1 A 14 14 CYS H H 14 8.300 7.671 0.629 1
1 95 . 15 1 1 A 14 14 CYS HA H 14 4.800 4.550 0.250 1
1 98 . 15 1 1 A 14 14 CYS N N 14 112.500 118.136 -5.636 1
1 99 . 15 1 1 A 15 15 ILE H H 15 7.220 7.974 -0.754 1
1 100 . 15 1 1 A 15 15 ILE HA H 15 3.820 3.683 0.137 1
1 110 . 15 1 1 A 15 15 ILE N N 15 121.950 122.060 -0.110 1
1 111 . 15 1 1 A 16 16 LYS H H 16 9.020 8.377 0.643 1
1 112 . 15 1 1 A 16 16 LYS HA H 16 4.290 4.150 0.140 1
1 120 . 15 1 1 A 16 16 LYS N N 16 119.960 120.569 -0.609 1
1 121 . 15 1 1 A 17 17 PRO HA H 17 4.370 4.124 0.246 1
1 128 . 15 1 1 A 18 18 CYS H H 18 7.670 7.657 0.013 1
1 129 . 15 1 1 A 18 18 CYS HA H 18 4.470 4.246 0.224 1
1 132 . 15 1 1 A 18 18 CYS N N 18 113.000 114.514 -1.514 1
1 133 . 15 1 1 A 19 19 LYS H H 19 8.100 7.907 0.193 1
1 134 . 15 1 1 A 19 19 LYS HA H 19 4.290 3.987 0.303 1
1 142 . 15 1 1 A 19 19 LYS N N 19 123.450 121.406 2.044 1
1 143 . 15 1 1 A 20 20 ASP H H 20 9.150 8.134 1.016 1
1 144 . 15 1 1 A 20 20 ASP HA H 20 4.390 4.364 0.026 1
1 147 . 15 1 1 A 20 20 ASP N N 20 122.450 120.343 2.107 1
1 148 . 15 1 1 A 21 21 ALA H H 21 7.380 7.369 0.011 1
1 149 . 15 1 1 A 21 21 ALA HA H 21 4.480 4.074 0.406 1
1 153 . 15 1 1 A 21 21 ALA N N 21 119.470 119.148 0.322 1
1 154 . 15 1 1 A 22 22 GLY H H 22 8.090 7.479 0.611 1
1 155 . 15 1 1 A 22 22 GLY HA2 H 22 4.160 4.084 0.076 1
1 156 . 15 1 1 A 22 22 GLY HA3 H 22 3.870 4.090 -0.220 1
1 157 . 15 1 1 A 22 22 GLY N N 22 106.540 104.165 2.375 1
1 158 . 15 1 1 A 23 23 MET H H 23 8.180 7.644 0.536 1
1 159 . 15 1 1 A 23 23 MET HA H 23 4.650 5.076 -0.426 1
1 167 . 15 1 1 A 23 23 MET N N 23 118.970 118.321 0.649 1
1 168 . 15 1 1 A 24 24 ARG H H 24 8.430 8.978 -0.548 1
1 169 . 15 1 1 A 24 24 ARG HA H 24 4.480 4.154 0.326 1
1 177 . 15 1 1 A 24 24 ARG N N 24 115.490 120.341 -4.851 1
1 178 . 15 1 1 A 25 25 PHE H H 25 8.200 7.337 0.863 1
1 179 . 15 1 1 A 25 25 PHE HA H 25 4.490 5.216 -0.726 1
1 182 . 15 1 1 A 25 25 PHE N N 25 114.490 114.701 -0.211 1
1 183 . 15 1 1 A 26 26 GLY H H 26 7.910 8.837 -0.927 1
1 184 . 15 1 1 A 26 26 GLY HA2 H 26 4.650 4.255 0.395 1
1 185 . 15 1 1 A 26 26 GLY HA3 H 26 3.820 4.268 -0.448 1
1 186 . 15 1 1 A 26 26 GLY N N 26 107.030 109.391 -2.361 1
1 187 . 15 1 1 A 27 27 LYS H H 27 8.800 8.886 -0.086 1
1 188 . 15 1 1 A 27 27 LYS HA H 27 4.640 4.840 -0.200 1
1 194 . 15 1 1 A 27 27 LYS N N 27 121.950 125.871 -3.921 1
1 195 . 15 1 1 A 28 28 CYS H H 28 8.840 9.139 -0.299 1
1 196 . 15 1 1 A 28 28 CYS HA H 28 4.910 5.244 -0.334 1
1 199 . 15 1 1 A 28 28 CYS N N 28 125.430 127.137 -1.707 1
1 200 . 15 1 1 A 29 29 MET H H 29 8.850 8.439 0.411 1
1 201 . 15 1 1 A 29 29 MET HA H 29 4.650 4.694 -0.044 1
1 209 . 15 1 1 A 29 29 MET N N 29 128.920 125.155 3.765 1
1 210 . 15 1 1 A 30 30 ASN H H 30 9.440 8.638 0.802 1
1 211 . 15 1 1 A 30 30 ASN HA H 30 4.340 4.492 -0.152 1
1 216 . 15 1 1 A 30 30 ASN N N 30 124.440 118.799 5.641 1
1 218 . 15 1 1 A 31 31 ARG H H 31 8.580 8.917 -0.337 1
1 219 . 15 1 1 A 31 31 ARG HA H 31 4.100 3.893 0.207 1
1 227 . 15 1 1 A 31 31 ARG N N 31 106.040 121.609 -15.569 1
1 228 . 15 1 1 A 32 32 LYS H H 32 7.840 7.356 0.484 1
1 229 . 15 1 1 A 32 32 LYS HA H 32 5.320 4.575 0.745 1
1 238 . 15 1 1 A 32 32 LYS N N 32 118.970 117.833 1.137 1
1 239 . 15 1 1 A 33 33 CYS H H 33 8.610 8.093 0.517 1
1 240 . 15 1 1 A 33 33 CYS HA H 33 5.090 4.696 0.394 1
1 243 . 15 1 1 A 33 33 CYS N N 33 121.460 123.281 -1.821 1
1 244 . 15 1 1 A 34 34 HIS H H 34 9.490 8.770 0.720 1
1 245 . 15 1 1 A 34 34 HIS HA H 34 5.210 5.096 0.114 1
1 250 . 15 1 1 A 34 34 HIS N N 34 120.460 119.586 0.874 1
1 251 . 15 1 1 A 35 35 CYS H H 35 9.180 8.487 0.693 1
1 252 . 15 1 1 A 35 35 CYS HA H 35 5.330 5.173 0.157 1
1 255 . 15 1 1 A 35 35 CYS N N 35 120.460 122.813 -2.353 1
1 256 . 15 1 1 A 36 36 THR H H 36 8.800 8.506 0.294 1
1 257 . 15 1 1 A 36 36 THR HA H 36 4.980 4.843 0.137 1
1 260 . 15 1 1 A 36 36 THR N N 36 117.980 118.391 -0.411 1
1 261 . 15 1 1 A 37 37 PRO HA H 37 4.470 4.685 -0.215 1
1 5 . 16 1 1 A 2 2 VAL H H 2 8.950 8.398 0.552 1
1 6 . 16 1 1 A 2 2 VAL HA H 2 4.590 3.808 0.782 1
1 14 . 16 1 1 A 2 2 VAL N N 2 120.960 118.259 2.701 1
1 15 . 16 1 1 A 3 3 PRO HA H 3 4.550 4.425 0.125 1
1 22 . 16 1 1 A 4 4 ILE H H 4 8.210 8.009 0.201 1
1 23 . 16 1 1 A 4 4 ILE HA H 4 4.530 4.644 -0.114 1
1 33 . 16 1 1 A 4 4 ILE N N 4 114.990 116.991 -2.001 1
1 34 . 16 1 1 A 5 5 ASN H H 5 8.720 8.756 -0.036 1
1 35 . 16 1 1 A 5 5 ASN HA H 5 4.800 4.977 -0.177 1
1 40 . 16 1 1 A 5 5 ASN N N 5 120.960 122.060 -1.100 1
1 42 . 16 1 1 A 6 6 VAL H H 6 8.020 7.780 0.240 1
1 43 . 16 1 1 A 6 6 VAL HA H 6 4.200 4.575 -0.375 1
1 51 . 16 1 1 A 6 6 VAL N N 6 121.460 125.127 -3.667 1
1 52 . 16 1 1 A 7 7 SER H H 7 8.640 8.994 -0.354 1
1 53 . 16 1 1 A 7 7 SER HA H 7 5.080 4.858 0.222 1
1 56 . 16 1 1 A 7 7 SER N N 7 122.450 121.769 0.681 1
1 57 . 16 1 1 A 8 8 CYS H H 8 7.990 8.847 -0.857 1
1 58 . 16 1 1 A 8 8 CYS HA H 8 4.940 5.211 -0.271 1
1 61 . 16 1 1 A 8 8 CYS N N 8 114.990 123.724 -8.734 1
1 62 . 16 1 1 A 9 9 THR H H 9 9.330 8.677 0.653 1
1 63 . 16 1 1 A 9 9 THR HA H 9 4.470 4.611 -0.141 1
1 68 . 16 1 1 A 9 9 THR N N 9 108.530 117.107 -8.577 1
1 69 . 16 1 1 A 10 10 GLY H H 10 7.720 8.637 -0.917 1
1 70 . 16 1 1 A 10 10 GLY HA2 H 10 4.510 4.151 0.359 1
1 71 . 16 1 1 A 10 10 GLY HA3 H 10 4.070 4.151 -0.081 1
1 72 . 16 1 1 A 10 10 GLY N N 10 109.520 117.391 -7.871 1
1 73 . 16 1 1 A 11 11 SER H H 11 9.360 8.861 0.499 1
1 74 . 16 1 1 A 11 11 SER HA H 11 4.210 4.247 -0.037 1
1 76 . 16 1 1 A 11 11 SER N N 11 119.470 117.019 2.451 1
1 77 . 16 1 1 A 12 12 PRO HA H 12 4.360 4.331 0.029 1
1 84 . 16 1 1 A 13 13 GLN H H 13 7.330 8.339 -1.009 1
1 85 . 16 1 1 A 13 13 GLN HA H 13 4.220 3.986 0.234 1
1 92 . 16 1 1 A 13 13 GLN N N 13 112.500 116.054 -3.554 1
1 94 . 16 1 1 A 14 14 CYS H H 14 8.300 7.926 0.374 1
1 95 . 16 1 1 A 14 14 CYS HA H 14 4.800 4.524 0.276 1
1 98 . 16 1 1 A 14 14 CYS N N 14 112.500 117.627 -5.127 1
1 99 . 16 1 1 A 15 15 ILE H H 15 7.220 7.756 -0.536 1
1 100 . 16 1 1 A 15 15 ILE HA H 15 3.820 3.701 0.119 1
1 110 . 16 1 1 A 15 15 ILE N N 15 121.950 122.492 -0.542 1
1 111 . 16 1 1 A 16 16 LYS H H 16 9.020 7.979 1.041 1
1 112 . 16 1 1 A 16 16 LYS HA H 16 4.290 4.098 0.192 1
1 120 . 16 1 1 A 16 16 LYS N N 16 119.960 119.210 0.750 1
1 121 . 16 1 1 A 17 17 PRO HA H 17 4.370 4.172 0.198 1
1 128 . 16 1 1 A 18 18 CYS H H 18 7.670 7.629 0.041 1
1 129 . 16 1 1 A 18 18 CYS HA H 18 4.470 4.263 0.207 1
1 132 . 16 1 1 A 18 18 CYS N N 18 113.000 114.578 -1.578 1
1 133 . 16 1 1 A 19 19 LYS H H 19 8.100 7.719 0.381 1
1 134 . 16 1 1 A 19 19 LYS HA H 19 4.290 3.956 0.334 1
1 142 . 16 1 1 A 19 19 LYS N N 19 123.450 121.303 2.147 1
1 143 . 16 1 1 A 20 20 ASP H H 20 9.150 8.487 0.663 1
1 144 . 16 1 1 A 20 20 ASP HA H 20 4.390 4.285 0.105 1
1 147 . 16 1 1 A 20 20 ASP N N 20 122.450 119.868 2.582 1
1 148 . 16 1 1 A 21 21 ALA H H 21 7.380 7.387 -0.007 1
1 149 . 16 1 1 A 21 21 ALA HA H 21 4.480 4.134 0.346 1
1 153 . 16 1 1 A 21 21 ALA N N 21 119.470 119.255 0.215 1
1 154 . 16 1 1 A 22 22 GLY H H 22 8.090 7.653 0.437 1
1 155 . 16 1 1 A 22 22 GLY HA2 H 22 4.160 4.039 0.121 1
1 156 . 16 1 1 A 22 22 GLY HA3 H 22 3.870 4.044 -0.174 1
1 157 . 16 1 1 A 22 22 GLY N N 22 106.540 105.473 1.067 1
1 158 . 16 1 1 A 23 23 MET H H 23 8.180 7.645 0.535 1
1 159 . 16 1 1 A 23 23 MET HA H 23 4.650 5.079 -0.429 1
1 167 . 16 1 1 A 23 23 MET N N 23 118.970 118.140 0.830 1
1 168 . 16 1 1 A 24 24 ARG H H 24 8.430 8.857 -0.427 1
1 169 . 16 1 1 A 24 24 ARG HA H 24 4.480 4.122 0.358 1
1 177 . 16 1 1 A 24 24 ARG N N 24 115.490 121.205 -5.715 1
1 178 . 16 1 1 A 25 25 PHE H H 25 8.200 7.892 0.308 1
1 179 . 16 1 1 A 25 25 PHE HA H 25 4.490 4.847 -0.357 1
1 182 . 16 1 1 A 25 25 PHE N N 25 114.490 115.225 -0.735 1
1 183 . 16 1 1 A 26 26 GLY H H 26 7.910 8.756 -0.846 1
1 184 . 16 1 1 A 26 26 GLY HA2 H 26 4.650 4.227 0.423 1
1 185 . 16 1 1 A 26 26 GLY HA3 H 26 3.820 4.241 -0.421 1
1 186 . 16 1 1 A 26 26 GLY N N 26 107.030 109.919 -2.889 1
1 187 . 16 1 1 A 27 27 LYS H H 27 8.800 8.321 0.479 1
1 188 . 16 1 1 A 27 27 LYS HA H 27 4.640 4.927 -0.287 1
1 194 . 16 1 1 A 27 27 LYS N N 27 121.950 121.016 0.934 1
1 195 . 16 1 1 A 28 28 CYS H H 28 8.840 9.098 -0.258 1
1 196 . 16 1 1 A 28 28 CYS HA H 28 4.910 5.364 -0.454 1
1 199 . 16 1 1 A 28 28 CYS N N 28 125.430 123.269 2.161 1
1 200 . 16 1 1 A 29 29 MET H H 29 8.850 8.481 0.369 1
1 201 . 16 1 1 A 29 29 MET HA H 29 4.650 4.656 -0.006 1
1 209 . 16 1 1 A 29 29 MET N N 29 128.920 125.064 3.856 1
1 210 . 16 1 1 A 30 30 ASN H H 30 9.440 8.629 0.811 1
1 211 . 16 1 1 A 30 30 ASN HA H 30 4.340 4.489 -0.149 1
1 216 . 16 1 1 A 30 30 ASN N N 30 124.440 118.793 5.647 1
1 218 . 16 1 1 A 31 31 ARG H H 31 8.580 8.926 -0.346 1
1 219 . 16 1 1 A 31 31 ARG HA H 31 4.100 3.912 0.188 1
1 227 . 16 1 1 A 31 31 ARG N N 31 106.040 120.671 -14.631 1
1 228 . 16 1 1 A 32 32 LYS H H 32 7.840 7.363 0.477 1
1 229 . 16 1 1 A 32 32 LYS HA H 32 5.320 4.630 0.690 1
1 238 . 16 1 1 A 32 32 LYS N N 32 118.970 117.932 1.038 1
1 239 . 16 1 1 A 33 33 CYS H H 33 8.610 8.371 0.239 1
1 240 . 16 1 1 A 33 33 CYS HA H 33 5.090 4.716 0.374 1
1 243 . 16 1 1 A 33 33 CYS N N 33 121.460 123.549 -2.089 1
1 244 . 16 1 1 A 34 34 HIS H H 34 9.490 8.887 0.603 1
1 245 . 16 1 1 A 34 34 HIS HA H 34 5.210 5.046 0.164 1
1 250 . 16 1 1 A 34 34 HIS N N 34 120.460 120.002 0.458 1
1 251 . 16 1 1 A 35 35 CYS H H 35 9.180 8.314 0.866 1
1 252 . 16 1 1 A 35 35 CYS HA H 35 5.330 5.222 0.108 1
1 255 . 16 1 1 A 35 35 CYS N N 35 120.460 123.007 -2.547 1
1 256 . 16 1 1 A 36 36 THR H H 36 8.800 8.641 0.159 1
1 257 . 16 1 1 A 36 36 THR HA H 36 4.980 4.731 0.249 1
1 260 . 16 1 1 A 36 36 THR N N 36 117.980 121.919 -3.939 1
1 261 . 16 1 1 A 37 37 PRO HA H 37 4.470 4.574 -0.104 1
1 5 . 17 1 1 A 2 2 VAL H H 2 8.950 8.407 0.543 1
1 6 . 17 1 1 A 2 2 VAL HA H 2 4.590 3.887 0.703 1
1 14 . 17 1 1 A 2 2 VAL N N 2 120.960 123.083 -2.123 1
1 15 . 17 1 1 A 3 3 PRO HA H 3 4.550 4.628 -0.078 1
1 22 . 17 1 1 A 4 4 ILE H H 4 8.210 8.135 0.075 1
1 23 . 17 1 1 A 4 4 ILE HA H 4 4.530 4.443 0.087 1
1 33 . 17 1 1 A 4 4 ILE N N 4 114.990 117.301 -2.311 1
1 34 . 17 1 1 A 5 5 ASN H H 5 8.720 8.653 0.067 1
1 35 . 17 1 1 A 5 5 ASN HA H 5 4.800 4.945 -0.145 1
1 40 . 17 1 1 A 5 5 ASN N N 5 120.960 121.270 -0.310 1
1 42 . 17 1 1 A 6 6 VAL H H 6 8.020 7.706 0.314 1
1 43 . 17 1 1 A 6 6 VAL HA H 6 4.200 4.600 -0.400 1
1 51 . 17 1 1 A 6 6 VAL N N 6 121.460 124.706 -3.246 1
1 52 . 17 1 1 A 7 7 SER H H 7 8.640 8.979 -0.339 1
1 53 . 17 1 1 A 7 7 SER HA H 7 5.080 4.954 0.126 1
1 56 . 17 1 1 A 7 7 SER N N 7 122.450 121.630 0.820 1
1 57 . 17 1 1 A 8 8 CYS H H 8 7.990 8.563 -0.573 1
1 58 . 17 1 1 A 8 8 CYS HA H 8 4.940 4.969 -0.029 1
1 61 . 17 1 1 A 8 8 CYS N N 8 114.990 123.509 -8.519 1
1 62 . 17 1 1 A 9 9 THR H H 9 9.330 8.923 0.407 1
1 63 . 17 1 1 A 9 9 THR HA H 9 4.470 4.401 0.069 1
1 68 . 17 1 1 A 9 9 THR N N 9 108.530 119.242 -10.712 1
1 69 . 17 1 1 A 10 10 GLY H H 10 7.720 7.832 -0.112 1
1 70 . 17 1 1 A 10 10 GLY HA2 H 10 4.510 4.094 0.416 1
1 71 . 17 1 1 A 10 10 GLY HA3 H 10 4.070 4.096 -0.026 1
1 72 . 17 1 1 A 10 10 GLY N N 10 109.520 107.484 2.036 1
1 73 . 17 1 1 A 11 11 SER H H 11 9.360 8.889 0.471 1
1 74 . 17 1 1 A 11 11 SER HA H 11 4.210 4.257 -0.047 1
1 76 . 17 1 1 A 11 11 SER N N 11 119.470 114.233 5.237 1
1 77 . 17 1 1 A 12 12 PRO HA H 12 4.360 4.318 0.042 1
1 84 . 17 1 1 A 13 13 GLN H H 13 7.330 8.338 -1.008 1
1 85 . 17 1 1 A 13 13 GLN HA H 13 4.220 3.965 0.255 1
1 92 . 17 1 1 A 13 13 GLN N N 13 112.500 116.251 -3.751 1
1 94 . 17 1 1 A 14 14 CYS H H 14 8.300 8.401 -0.101 1
1 95 . 17 1 1 A 14 14 CYS HA H 14 4.800 4.533 0.267 1
1 98 . 17 1 1 A 14 14 CYS N N 14 112.500 117.558 -5.058 1
1 99 . 17 1 1 A 15 15 ILE H H 15 7.220 7.751 -0.531 1
1 100 . 17 1 1 A 15 15 ILE HA H 15 3.820 3.759 0.061 1
1 110 . 17 1 1 A 15 15 ILE N N 15 121.950 122.363 -0.413 1
1 111 . 17 1 1 A 16 16 LYS H H 16 9.020 8.313 0.707 1
1 112 . 17 1 1 A 16 16 LYS HA H 16 4.290 4.135 0.155 1
1 120 . 17 1 1 A 16 16 LYS N N 16 119.960 120.813 -0.853 1
1 121 . 17 1 1 A 17 17 PRO HA H 17 4.370 4.140 0.230 1
1 128 . 17 1 1 A 18 18 CYS H H 18 7.670 7.812 -0.142 1
1 129 . 17 1 1 A 18 18 CYS HA H 18 4.470 4.252 0.218 1
1 132 . 17 1 1 A 18 18 CYS N N 18 113.000 114.606 -1.606 1
1 133 . 17 1 1 A 19 19 LYS H H 19 8.100 7.703 0.397 1
1 134 . 17 1 1 A 19 19 LYS HA H 19 4.290 4.045 0.245 1
1 142 . 17 1 1 A 19 19 LYS N N 19 123.450 121.313 2.137 1
1 143 . 17 1 1 A 20 20 ASP H H 20 9.150 8.592 0.558 1
1 144 . 17 1 1 A 20 20 ASP HA H 20 4.390 4.303 0.087 1
1 147 . 17 1 1 A 20 20 ASP N N 20 122.450 116.850 5.600 1
1 148 . 17 1 1 A 21 21 ALA H H 21 7.380 7.365 0.015 1
1 149 . 17 1 1 A 21 21 ALA HA H 21 4.480 4.086 0.394 1
1 153 . 17 1 1 A 21 21 ALA N N 21 119.470 119.854 -0.384 1
1 154 . 17 1 1 A 22 22 GLY H H 22 8.090 7.276 0.814 1
1 155 . 17 1 1 A 22 22 GLY HA2 H 22 4.160 4.084 0.076 1
1 156 . 17 1 1 A 22 22 GLY HA3 H 22 3.870 4.088 -0.218 1
1 157 . 17 1 1 A 22 22 GLY N N 22 106.540 104.254 2.286 1
1 158 . 17 1 1 A 23 23 MET H H 23 8.180 7.560 0.620 1
1 159 . 17 1 1 A 23 23 MET HA H 23 4.650 5.018 -0.368 1
1 167 . 17 1 1 A 23 23 MET N N 23 118.970 117.836 1.134 1
1 168 . 17 1 1 A 24 24 ARG H H 24 8.430 8.725 -0.295 1
1 169 . 17 1 1 A 24 24 ARG HA H 24 4.480 4.174 0.306 1
1 177 . 17 1 1 A 24 24 ARG N N 24 115.490 122.243 -6.753 1
1 178 . 17 1 1 A 25 25 PHE H H 25 8.200 7.482 0.718 1
1 179 . 17 1 1 A 25 25 PHE HA H 25 4.490 4.777 -0.287 1
1 182 . 17 1 1 A 25 25 PHE N N 25 114.490 116.873 -2.383 1
1 183 . 17 1 1 A 26 26 GLY H H 26 7.910 8.864 -0.954 1
1 184 . 17 1 1 A 26 26 GLY HA2 H 26 4.650 4.254 0.396 1
1 185 . 17 1 1 A 26 26 GLY HA3 H 26 3.820 4.265 -0.445 1
1 186 . 17 1 1 A 26 26 GLY N N 26 107.030 109.066 -2.036 1
1 187 . 17 1 1 A 27 27 LYS H H 27 8.800 8.823 -0.023 1
1 188 . 17 1 1 A 27 27 LYS HA H 27 4.640 4.829 -0.189 1
1 194 . 17 1 1 A 27 27 LYS N N 27 121.950 124.938 -2.988 1
1 195 . 17 1 1 A 28 28 CYS H H 28 8.840 9.168 -0.328 1
1 196 . 17 1 1 A 28 28 CYS HA H 28 4.910 5.349 -0.439 1
1 199 . 17 1 1 A 28 28 CYS N N 28 125.430 124.890 0.540 1
1 200 . 17 1 1 A 29 29 MET H H 29 8.850 8.494 0.356 1
1 201 . 17 1 1 A 29 29 MET HA H 29 4.650 4.581 0.069 1
1 209 . 17 1 1 A 29 29 MET N N 29 128.920 125.053 3.867 1
1 210 . 17 1 1 A 30 30 ASN H H 30 9.440 8.718 0.722 1
1 211 . 17 1 1 A 30 30 ASN HA H 30 4.340 4.466 -0.126 1
1 216 . 17 1 1 A 30 30 ASN N N 30 124.440 118.994 5.446 1
1 218 . 17 1 1 A 31 31 ARG H H 31 8.580 8.910 -0.330 1
1 219 . 17 1 1 A 31 31 ARG HA H 31 4.100 4.002 0.098 1
1 227 . 17 1 1 A 31 31 ARG N N 31 106.040 120.525 -14.485 1
1 228 . 17 1 1 A 32 32 LYS H H 32 7.840 7.394 0.446 1
1 229 . 17 1 1 A 32 32 LYS HA H 32 5.320 4.673 0.647 1
1 238 . 17 1 1 A 32 32 LYS N N 32 118.970 118.184 0.786 1
1 239 . 17 1 1 A 33 33 CYS H H 33 8.610 8.208 0.402 1
1 240 . 17 1 1 A 33 33 CYS HA H 33 5.090 4.762 0.328 1
1 243 . 17 1 1 A 33 33 CYS N N 33 121.460 123.096 -1.636 1
1 244 . 17 1 1 A 34 34 HIS H H 34 9.490 8.753 0.737 1
1 245 . 17 1 1 A 34 34 HIS HA H 34 5.210 5.036 0.174 1
1 250 . 17 1 1 A 34 34 HIS N N 34 120.460 120.023 0.437 1
1 251 . 17 1 1 A 35 35 CYS H H 35 9.180 8.023 1.157 1
1 252 . 17 1 1 A 35 35 CYS HA H 35 5.330 4.864 0.466 1
1 255 . 17 1 1 A 35 35 CYS N N 35 120.460 123.117 -2.657 1
1 256 . 17 1 1 A 36 36 THR H H 36 8.800 8.693 0.107 1
1 257 . 17 1 1 A 36 36 THR HA H 36 4.980 4.797 0.183 1
1 260 . 17 1 1 A 36 36 THR N N 36 117.980 118.953 -0.973 1
1 261 . 17 1 1 A 37 37 PRO HA H 37 4.470 4.558 -0.088 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 32 0.547 1
5 1 1 1 "RMS(OBS, PRED)" HA 39 0.299 1
6 1 1 1 "RMS(OBS, PRED)" N 32 4.455 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 32 0.542 1
11 1 2 1 "RMS(OBS, PRED)" HA 39 0.300 1
12 1 2 1 "RMS(OBS, PRED)" N 32 4.775 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 32 0.570 1
17 1 3 1 "RMS(OBS, PRED)" HA 39 0.304 1
18 1 3 1 "RMS(OBS, PRED)" N 32 4.664 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 32 0.555 1
23 1 4 1 "RMS(OBS, PRED)" HA 39 0.272 1
24 1 4 1 "RMS(OBS, PRED)" N 32 4.642 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 32 0.538 1
29 1 5 1 "RMS(OBS, PRED)" HA 39 0.308 1
30 1 5 1 "RMS(OBS, PRED)" N 32 4.591 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 32 0.526 1
35 1 6 1 "RMS(OBS, PRED)" HA 39 0.271 1
36 1 6 1 "RMS(OBS, PRED)" N 32 4.833 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 32 0.594 1
41 1 7 1 "RMS(OBS, PRED)" HA 39 0.299 1
42 1 7 1 "RMS(OBS, PRED)" N 32 4.682 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 32 0.558 1
47 1 8 1 "RMS(OBS, PRED)" HA 39 0.296 1
48 1 8 1 "RMS(OBS, PRED)" N 32 4.635 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 32 0.568 1
53 1 9 1 "RMS(OBS, PRED)" HA 39 0.300 1
54 1 9 1 "RMS(OBS, PRED)" N 32 4.773 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 32 0.557 1
59 1 10 1 "RMS(OBS, PRED)" HA 39 0.278 1
60 1 10 1 "RMS(OBS, PRED)" N 32 4.672 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 32 0.564 1
65 1 11 1 "RMS(OBS, PRED)" HA 39 0.289 1
66 1 11 1 "RMS(OBS, PRED)" N 32 4.840 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 32 0.548 1
71 1 12 1 "RMS(OBS, PRED)" HA 39 0.285 1
72 1 12 1 "RMS(OBS, PRED)" N 32 4.669 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 32 0.590 1
77 1 13 1 "RMS(OBS, PRED)" HA 39 0.294 1
78 1 13 1 "RMS(OBS, PRED)" N 32 4.811 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 32 0.538 1
83 1 14 1 "RMS(OBS, PRED)" HA 39 0.294 1
84 1 14 1 "RMS(OBS, PRED)" N 32 4.732 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 32 0.570 1
89 1 15 1 "RMS(OBS, PRED)" HA 39 0.293 1
90 1 15 1 "RMS(OBS, PRED)" N 32 4.558 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 32 0.568 1
95 1 16 1 "RMS(OBS, PRED)" HA 39 0.303 1
96 1 16 1 "RMS(OBS, PRED)" N 32 4.527 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 32 0.545 1
101 1 17 1 "RMS(OBS, PRED)" HA 39 0.288 1
102 1 17 1 "RMS(OBS, PRED)" N 32 4.601 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 5 . 1 1 A 2 2 VAL H H 2 8.950 8.462 0.488 2
1 6 . 1 1 A 2 2 VAL HA H 2 4.590 4.445 0.145 2
1 14 . 1 1 A 2 2 VAL N N 2 120.960 123.094 -2.134 2
1 15 . 1 1 A 3 3 PRO HA H 3 4.550 4.440 0.110 2
1 22 . 1 1 A 4 4 ILE H H 4 8.210 7.912 0.298 2
1 23 . 1 1 A 4 4 ILE HA H 4 4.530 4.643 -0.113 2
1 33 . 1 1 A 4 4 ILE N N 4 114.990 117.318 -2.328 2
1 34 . 1 1 A 5 5 ASN H H 5 8.720 8.732 -0.012 2
1 35 . 1 1 A 5 5 ASN HA H 5 4.800 4.964 -0.164 2
1 40 . 1 1 A 5 5 ASN N N 5 120.960 121.906 -0.946 2
1 42 . 1 1 A 6 6 VAL H H 6 8.020 7.763 0.257 2
1 43 . 1 1 A 6 6 VAL HA H 6 4.200 4.582 -0.382 2
1 51 . 1 1 A 6 6 VAL N N 6 121.460 124.925 -3.465 2
1 52 . 1 1 A 7 7 SER H H 7 8.640 8.975 -0.335 2
1 53 . 1 1 A 7 7 SER HA H 7 5.080 4.910 0.170 2
1 56 . 1 1 A 7 7 SER N N 7 122.450 121.728 0.722 2
1 57 . 1 1 A 8 8 CYS H H 8 7.990 8.724 -0.734 2
1 58 . 1 1 A 8 8 CYS HA H 8 4.940 5.090 -0.150 2
1 61 . 1 1 A 8 8 CYS N N 8 114.990 123.682 -8.692 2
1 62 . 1 1 A 9 9 THR H H 9 9.330 8.720 0.610 2
1 63 . 1 1 A 9 9 THR HA H 9 4.470 4.550 -0.080 2
1 68 . 1 1 A 9 9 THR N N 9 108.530 117.768 -9.238 2
1 69 . 1 1 A 10 10 GLY H H 10 7.720 8.225 -0.505 2
1 70 . 1 1 A 10 10 GLY HA2 H 10 4.510 4.144 0.366 2
1 71 . 1 1 A 10 10 GLY HA3 H 10 4.070 4.144 -0.074 2
1 72 . 1 1 A 10 10 GLY N N 10 109.520 114.166 -4.646 2
1 73 . 1 1 A 11 11 SER H H 11 9.360 8.886 0.474 2
1 74 . 1 1 A 11 11 SER HA H 11 4.210 4.269 -0.059 2
1 76 . 1 1 A 11 11 SER N N 11 119.470 116.229 3.241 2
1 77 . 1 1 A 12 12 PRO HA H 12 4.360 4.330 0.030 2
1 84 . 1 1 A 13 13 GLN H H 13 7.330 8.346 -1.016 2
1 85 . 1 1 A 13 13 GLN HA H 13 4.220 3.977 0.243 2
1 92 . 1 1 A 13 13 GLN N N 13 112.500 116.168 -3.668 2
1 94 . 1 1 A 14 14 CYS H H 14 8.300 7.992 0.308 2
1 95 . 1 1 A 14 14 CYS HA H 14 4.800 4.505 0.295 2
1 98 . 1 1 A 14 14 CYS N N 14 112.500 117.647 -5.147 2
1 99 . 1 1 A 15 15 ILE H H 15 7.220 7.697 -0.477 2
1 100 . 1 1 A 15 15 ILE HA H 15 3.820 3.726 0.094 2
1 110 . 1 1 A 15 15 ILE N N 15 121.950 122.510 -0.560 2
1 111 . 1 1 A 16 16 LYS H H 16 9.020 8.219 0.801 2
1 112 . 1 1 A 16 16 LYS HA H 16 4.290 4.119 0.171 2
1 120 . 1 1 A 16 16 LYS N N 16 119.960 120.095 -0.135 2
1 121 . 1 1 A 17 17 PRO HA H 17 4.370 4.161 0.209 2
1 128 . 1 1 A 18 18 CYS H H 18 7.670 7.669 0.001 2
1 129 . 1 1 A 18 18 CYS HA H 18 4.470 4.261 0.209 2
1 132 . 1 1 A 18 18 CYS N N 18 113.000 114.584 -1.584 2
1 133 . 1 1 A 19 19 LYS H H 19 8.100 7.851 0.249 2
1 134 . 1 1 A 19 19 LYS HA H 19 4.290 3.964 0.326 2
1 142 . 1 1 A 19 19 LYS N N 19 123.450 121.194 2.256 2
1 143 . 1 1 A 20 20 ASP H H 20 9.150 8.398 0.752 2
1 144 . 1 1 A 20 20 ASP HA H 20 4.390 4.316 0.074 2
1 147 . 1 1 A 20 20 ASP N N 20 122.450 119.382 3.068 2
1 148 . 1 1 A 21 21 ALA H H 21 7.380 7.405 -0.025 2
1 149 . 1 1 A 21 21 ALA HA H 21 4.480 4.114 0.366 2
1 153 . 1 1 A 21 21 ALA N N 21 119.470 119.345 0.125 2
1 154 . 1 1 A 22 22 GLY H H 22 8.090 7.531 0.559 2
1 155 . 1 1 A 22 22 GLY HA2 H 22 4.160 4.053 0.107 2
1 156 . 1 1 A 22 22 GLY HA3 H 22 3.870 4.058 -0.188 2
1 157 . 1 1 A 22 22 GLY N N 22 106.540 104.979 1.561 2
1 158 . 1 1 A 23 23 MET H H 23 8.180 7.577 0.603 2
1 159 . 1 1 A 23 23 MET HA H 23 4.650 5.030 -0.380 2
1 167 . 1 1 A 23 23 MET N N 23 118.970 118.308 0.662 2
1 168 . 1 1 A 24 24 ARG H H 24 8.430 8.777 -0.347 2
1 169 . 1 1 A 24 24 ARG HA H 24 4.480 4.131 0.349 2
1 177 . 1 1 A 24 24 ARG N N 24 115.490 121.659 -6.169 2
1 178 . 1 1 A 25 25 PHE H H 25 8.200 7.535 0.665 2
1 179 . 1 1 A 25 25 PHE HA H 25 4.490 5.018 -0.528 2
1 182 . 1 1 A 25 25 PHE N N 25 114.490 115.403 -0.913 2
1 183 . 1 1 A 26 26 GLY H H 26 7.910 8.805 -0.895 2
1 184 . 1 1 A 26 26 GLY HA2 H 26 4.650 4.261 0.389 2
1 185 . 1 1 A 26 26 GLY HA3 H 26 3.820 4.274 -0.454 2
1 186 . 1 1 A 26 26 GLY N N 26 107.030 109.131 -2.101 2
1 187 . 1 1 A 27 27 LYS H H 27 8.800 8.788 0.012 2
1 188 . 1 1 A 27 27 LYS HA H 27 4.640 4.919 -0.279 2
1 194 . 1 1 A 27 27 LYS N N 27 121.950 124.192 -2.242 2
1 195 . 1 1 A 28 28 CYS H H 28 8.840 9.084 -0.244 2
1 196 . 1 1 A 28 28 CYS HA H 28 4.910 5.394 -0.484 2
1 199 . 1 1 A 28 28 CYS N N 28 125.430 124.879 0.551 2
1 200 . 1 1 A 29 29 MET H H 29 8.850 8.537 0.313 2
1 201 . 1 1 A 29 29 MET HA H 29 4.650 4.707 -0.057 2
1 209 . 1 1 A 29 29 MET N N 29 128.920 124.914 4.006 2
1 210 . 1 1 A 30 30 ASN H H 30 9.440 8.644 0.796 2
1 211 . 1 1 A 30 30 ASN HA H 30 4.340 4.488 -0.148 2
1 216 . 1 1 A 30 30 ASN N N 30 124.440 118.830 5.610 2
1 218 . 1 1 A 31 31 ARG H H 31 8.580 8.901 -0.321 2
1 219 . 1 1 A 31 31 ARG HA H 31 4.100 3.875 0.225 2
1 227 . 1 1 A 31 31 ARG N N 31 106.040 121.810 -15.770 2
1 228 . 1 1 A 32 32 LYS H H 32 7.840 7.361 0.479 2
1 229 . 1 1 A 32 32 LYS HA H 32 5.320 4.615 0.705 2
1 238 . 1 1 A 32 32 LYS N N 32 118.970 117.648 1.322 2
1 239 . 1 1 A 33 33 CYS H H 33 8.610 8.276 0.334 2
1 240 . 1 1 A 33 33 CYS HA H 33 5.090 4.768 0.322 2
1 243 . 1 1 A 33 33 CYS N N 33 121.460 123.368 -1.908 2
1 244 . 1 1 A 34 34 HIS H H 34 9.490 8.803 0.687 2
1 245 . 1 1 A 34 34 HIS HA H 34 5.210 5.036 0.174 2
1 250 . 1 1 A 34 34 HIS N N 34 120.460 120.158 0.302 2
1 251 . 1 1 A 35 35 CYS H H 35 9.180 8.372 0.808 2
1 252 . 1 1 A 35 35 CYS HA H 35 5.330 5.075 0.255 2
1 255 . 1 1 A 35 35 CYS N N 35 120.460 122.882 -2.422 2
1 256 . 1 1 A 36 36 THR H H 36 8.800 8.591 0.209 2
1 257 . 1 1 A 36 36 THR HA H 36 4.980 4.785 0.195 2
1 260 . 1 1 A 36 36 THR N N 36 117.980 119.772 -1.792 2
1 261 . 1 1 A 37 37 PRO HA H 37 4.470 4.613 -0.143 2
stop_
save_