data_18354 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18354 _Entry.PDB_ID 2LR9 save_ save_delta_chem_shifts _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts _Entity_delta_chem_shifts.Model_type single _Entity_delta_chem_shifts.Entry_ID 18354 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 ASN HA H 2 4.529 4.529 4.476 0.053 18354 2 1 1 . 1 1 2 2 ASN H H 2 7.684 7.684 7.709 -0.025 18354 3 1 1 . 1 1 3 3 TRP HA H 3 4.212 4.212 4.452 -0.240 18354 4 1 1 . 1 1 3 3 TRP H H 3 8.207 8.207 8.260 -0.053 18354 5 1 1 . 1 1 4 4 ARG HA H 4 3.621 3.621 3.830 -0.209 18354 6 1 1 . 1 1 4 4 ARG H H 4 7.655 7.655 7.062 0.593 18354 7 1 1 . 1 1 5 5 CYS HA H 5 4.057 4.057 4.190 -0.133 18354 8 1 1 . 1 1 5 5 CYS H H 5 7.635 7.635 7.592 0.043 18354 9 1 1 . 1 1 6 6 CYS HA H 6 4.259 4.259 4.364 -0.105 18354 10 1 1 . 1 1 6 6 CYS H H 6 7.614 7.614 8.112 -0.498 18354 11 1 1 . 1 1 7 7 LEU HA H 7 4.284 4.284 4.515 -0.231 18354 12 1 1 . 1 1 7 7 LEU H H 7 7.636 7.636 7.678 -0.042 18354 13 1 1 . 1 1 8 8 ILE HA H 8 4.510 4.510 4.453 0.057 18354 14 1 1 . 1 1 8 8 ILE H H 8 7.756 7.756 7.495 0.261 18354 15 1 1 . 1 1 9 9 PRO HA H 9 3.959 3.959 4.183 -0.224 18354 16 1 1 . 1 1 10 10 ALA HA H 10 3.919 3.919 4.253 -0.334 18354 17 1 1 . 1 1 10 10 ALA H H 10 8.534 8.534 8.397 0.137 18354 18 1 1 . 1 1 11 11 CYS HA H 11 4.470 4.470 4.427 0.043 18354 19 1 1 . 1 1 11 11 CYS H H 11 7.321 7.321 7.902 -0.581 18354 20 1 1 . 1 1 12 12 ARG HA H 12 3.851 3.851 4.178 -0.327 18354 21 1 1 . 1 1 12 12 ARG H H 12 8.933 8.933 8.697 0.236 18354 22 1 1 . 1 1 13 13 ARG HA H 13 3.955 3.955 4.138 -0.183 18354 23 1 1 . 1 1 13 13 ARG H H 13 7.755 7.755 7.949 -0.194 18354 24 1 1 . 1 1 14 14 ASN HA H 14 4.766 4.766 4.589 0.177 18354 25 1 1 . 1 1 14 14 ASN H H 14 7.171 7.171 7.601 -0.430 18354 26 1 1 . 1 1 15 15 HIS HA H 15 4.865 4.865 5.157 -0.292 18354 27 1 1 . 1 1 15 15 HIS H H 15 7.815 7.815 8.106 -0.291 18354 28 1 1 . 1 1 16 16 LYS HA H 16 3.777 3.777 4.274 -0.497 18354 29 1 1 . 1 1 16 16 LYS H H 16 8.086 8.086 8.317 -0.231 18354 30 1 1 . 1 1 17 17 LYS HA H 17 3.920 3.920 4.053 -0.133 18354 31 1 1 . 1 1 17 17 LYS H H 17 8.377 8.377 8.207 0.170 18354 32 1 1 . 1 1 18 18 PHE HA H 18 4.268 4.268 4.253 0.015 18354 33 1 1 . 1 1 18 18 PHE H H 18 7.704 7.704 7.527 0.177 18354 34 1 2 . 1 1 2 2 ASN HA H 2 4.529 4.529 4.525 0.004 18354 35 1 2 . 1 1 2 2 ASN H H 2 7.684 7.684 7.605 0.079 18354 36 1 2 . 1 1 3 3 TRP HA H 3 4.212 4.212 4.524 -0.312 18354 37 1 2 . 1 1 3 3 TRP H H 3 8.207 8.207 8.329 -0.122 18354 38 1 2 . 1 1 4 4 ARG HA H 4 3.621 3.621 3.717 -0.096 18354 39 1 2 . 1 1 4 4 ARG H H 4 7.655 7.655 7.113 0.542 18354 40 1 2 . 1 1 5 5 CYS HA H 5 4.057 4.057 4.199 -0.142 18354 41 1 2 . 1 1 5 5 CYS H H 5 7.635 7.635 7.609 0.026 18354 42 1 2 . 1 1 6 6 CYS HA H 6 4.259 4.259 4.387 -0.128 18354 43 1 2 . 1 1 6 6 CYS H H 6 7.614 7.614 8.131 -0.517 18354 44 1 2 . 1 1 7 7 LEU HA H 7 4.284 4.284 4.525 -0.241 18354 45 1 2 . 1 1 7 7 LEU H H 7 7.636 7.636 7.506 0.130 18354 46 1 2 . 1 1 8 8 ILE HA H 8 4.510 4.510 4.479 0.031 18354 47 1 2 . 1 1 8 8 ILE H H 8 7.756 7.756 7.464 0.292 18354 48 1 2 . 1 1 9 9 PRO HA H 9 3.959 3.959 4.166 -0.207 18354 49 1 2 . 1 1 10 10 ALA HA H 10 3.919 3.919 4.259 -0.340 18354 50 1 2 . 1 1 10 10 ALA H H 10 8.534 8.534 8.345 0.189 18354 51 1 2 . 1 1 11 11 CYS HA H 11 4.470 4.470 4.429 0.041 18354 52 1 2 . 1 1 11 11 CYS H H 11 7.321 7.321 7.859 -0.538 18354 53 1 2 . 1 1 12 12 ARG HA H 12 3.851 3.851 4.140 -0.289 18354 54 1 2 . 1 1 12 12 ARG H H 12 8.933 8.933 8.718 0.215 18354 55 1 2 . 1 1 13 13 ARG HA H 13 3.955 3.955 4.121 -0.166 18354 56 1 2 . 1 1 13 13 ARG H H 13 7.755 7.755 7.794 -0.039 18354 57 1 2 . 1 1 14 14 ASN HA H 14 4.766 4.766 4.566 0.200 18354 58 1 2 . 1 1 14 14 ASN H H 14 7.171 7.171 7.510 -0.339 18354 59 1 2 . 1 1 15 15 HIS HA H 15 4.865 4.865 4.978 -0.113 18354 60 1 2 . 1 1 15 15 HIS H H 15 7.815 7.815 8.069 -0.254 18354 61 1 2 . 1 1 16 16 LYS HA H 16 3.777 3.777 4.265 -0.488 18354 62 1 2 . 1 1 16 16 LYS H H 16 8.086 8.086 8.245 -0.159 18354 63 1 2 . 1 1 17 17 LYS HA H 17 3.920 3.920 4.152 -0.232 18354 64 1 2 . 1 1 17 17 LYS H H 17 8.377 8.377 8.047 0.330 18354 65 1 2 . 1 1 18 18 PHE HA H 18 4.268 4.268 4.289 -0.021 18354 66 1 2 . 1 1 18 18 PHE H H 18 7.704 7.704 7.638 0.066 18354 67 1 3 . 1 1 2 2 ASN HA H 2 4.529 4.529 4.627 -0.098 18354 68 1 3 . 1 1 2 2 ASN H H 2 7.684 7.684 8.444 -0.760 18354 69 1 3 . 1 1 3 3 TRP HA H 3 4.212 4.212 4.702 -0.490 18354 70 1 3 . 1 1 3 3 TRP H H 3 8.207 8.207 8.101 0.106 18354 71 1 3 . 1 1 4 4 ARG HA H 4 3.621 3.621 3.798 -0.177 18354 72 1 3 . 1 1 4 4 ARG H H 4 7.655 7.655 7.209 0.446 18354 73 1 3 . 1 1 5 5 CYS HA H 5 4.057 4.057 4.282 -0.225 18354 74 1 3 . 1 1 5 5 CYS H H 5 7.635 7.635 7.822 -0.187 18354 75 1 3 . 1 1 6 6 CYS HA H 6 4.259 4.259 4.361 -0.102 18354 76 1 3 . 1 1 6 6 CYS H H 6 7.614 7.614 8.171 -0.557 18354 77 1 3 . 1 1 7 7 LEU HA H 7 4.284 4.284 4.457 -0.173 18354 78 1 3 . 1 1 7 7 LEU H H 7 7.636 7.636 7.830 -0.194 18354 79 1 3 . 1 1 8 8 ILE HA H 8 4.510 4.510 4.556 -0.046 18354 80 1 3 . 1 1 8 8 ILE H H 8 7.756 7.756 7.573 0.183 18354 81 1 3 . 1 1 9 9 PRO HA H 9 3.959 3.959 4.200 -0.241 18354 82 1 3 . 1 1 10 10 ALA HA H 10 3.919 3.919 4.297 -0.378 18354 83 1 3 . 1 1 10 10 ALA H H 10 8.534 8.534 8.322 0.212 18354 84 1 3 . 1 1 11 11 CYS HA H 11 4.470 4.470 4.490 -0.020 18354 85 1 3 . 1 1 11 11 CYS H H 11 7.321 7.321 7.912 -0.591 18354 86 1 3 . 1 1 12 12 ARG HA H 12 3.851 3.851 4.106 -0.255 18354 87 1 3 . 1 1 12 12 ARG H H 12 8.933 8.933 8.661 0.272 18354 88 1 3 . 1 1 13 13 ARG HA H 13 3.955 3.955 4.129 -0.174 18354 89 1 3 . 1 1 13 13 ARG H H 13 7.755 7.755 7.684 0.071 18354 90 1 3 . 1 1 14 14 ASN HA H 14 4.766 4.766 4.571 0.195 18354 91 1 3 . 1 1 14 14 ASN H H 14 7.171 7.171 7.626 -0.455 18354 92 1 3 . 1 1 15 15 HIS HA H 15 4.865 4.865 5.051 -0.186 18354 93 1 3 . 1 1 15 15 HIS H H 15 7.815 7.815 7.970 -0.155 18354 94 1 3 . 1 1 16 16 LYS HA H 16 3.777 3.777 4.209 -0.432 18354 95 1 3 . 1 1 16 16 LYS H H 16 8.086 8.086 8.261 -0.175 18354 96 1 3 . 1 1 17 17 LYS HA H 17 3.920 3.920 4.047 -0.127 18354 97 1 3 . 1 1 17 17 LYS H H 17 8.377 8.377 8.040 0.337 18354 98 1 3 . 1 1 18 18 PHE HA H 18 4.268 4.268 4.204 0.064 18354 99 1 3 . 1 1 18 18 PHE H H 18 7.704 7.704 7.577 0.127 18354 100 1 4 . 1 1 2 2 ASN HA H 2 4.529 4.529 4.500 0.029 18354 101 1 4 . 1 1 2 2 ASN H H 2 7.684 7.684 7.664 0.020 18354 102 1 4 . 1 1 3 3 TRP HA H 3 4.212 4.212 4.534 -0.322 18354 103 1 4 . 1 1 3 3 TRP H H 3 8.207 8.207 8.189 0.018 18354 104 1 4 . 1 1 4 4 ARG HA H 4 3.621 3.621 3.811 -0.190 18354 105 1 4 . 1 1 4 4 ARG H H 4 7.655 7.655 7.098 0.557 18354 106 1 4 . 1 1 5 5 CYS HA H 5 4.057 4.057 4.207 -0.149 18354 107 1 4 . 1 1 5 5 CYS H H 5 7.635 7.635 7.615 0.020 18354 108 1 4 . 1 1 6 6 CYS HA H 6 4.259 4.259 4.353 -0.094 18354 109 1 4 . 1 1 6 6 CYS H H 6 7.614 7.614 8.101 -0.487 18354 110 1 4 . 1 1 7 7 LEU HA H 7 4.284 4.284 4.480 -0.196 18354 111 1 4 . 1 1 7 7 LEU H H 7 7.636 7.636 7.727 -0.091 18354 112 1 4 . 1 1 8 8 ILE HA H 8 4.510 4.510 4.564 -0.054 18354 113 1 4 . 1 1 8 8 ILE H H 8 7.756 7.756 7.607 0.149 18354 114 1 4 . 1 1 9 9 PRO HA H 9 3.959 3.959 4.272 -0.313 18354 115 1 4 . 1 1 10 10 ALA HA H 10 3.919 3.919 4.429 -0.510 18354 116 1 4 . 1 1 10 10 ALA H H 10 8.534 8.534 8.221 0.313 18354 117 1 4 . 1 1 11 11 CYS HA H 11 4.470 4.470 4.488 -0.018 18354 118 1 4 . 1 1 11 11 CYS H H 11 7.321 7.321 7.842 -0.521 18354 119 1 4 . 1 1 12 12 ARG HA H 12 3.851 3.851 4.203 -0.352 18354 120 1 4 . 1 1 12 12 ARG H H 12 8.933 8.933 8.618 0.315 18354 121 1 4 . 1 1 13 13 ARG HA H 13 3.955 3.955 4.144 -0.189 18354 122 1 4 . 1 1 13 13 ARG H H 13 7.755 7.755 8.387 -0.632 18354 123 1 4 . 1 1 14 14 ASN HA H 14 4.766 4.766 4.618 0.148 18354 124 1 4 . 1 1 14 14 ASN H H 14 7.171 7.171 7.647 -0.476 18354 125 1 4 . 1 1 15 15 HIS HA H 15 4.865 4.865 5.134 -0.269 18354 126 1 4 . 1 1 15 15 HIS H H 15 7.815 7.815 7.957 -0.142 18354 127 1 4 . 1 1 16 16 LYS HA H 16 3.777 3.777 4.294 -0.517 18354 128 1 4 . 1 1 16 16 LYS H H 16 8.086 8.086 7.958 0.128 18354 129 1 4 . 1 1 17 17 LYS HA H 17 3.920 3.920 4.103 -0.183 18354 130 1 4 . 1 1 17 17 LYS H H 17 8.377 8.377 8.175 0.202 18354 131 1 4 . 1 1 18 18 PHE HA H 18 4.268 4.268 4.380 -0.112 18354 132 1 4 . 1 1 18 18 PHE H H 18 7.704 7.704 7.634 0.070 18354 133 1 5 . 1 1 2 2 ASN HA H 2 4.529 4.529 4.818 -0.289 18354 134 1 5 . 1 1 2 2 ASN H H 2 7.684 7.684 8.624 -0.940 18354 135 1 5 . 1 1 3 3 TRP HA H 3 4.212 4.212 4.705 -0.493 18354 136 1 5 . 1 1 3 3 TRP H H 3 8.207 8.207 8.773 -0.566 18354 137 1 5 . 1 1 4 4 ARG HA H 4 3.621 3.621 3.729 -0.108 18354 138 1 5 . 1 1 4 4 ARG H H 4 7.655 7.655 7.756 -0.101 18354 139 1 5 . 1 1 5 5 CYS HA H 5 4.057 4.057 4.285 -0.228 18354 140 1 5 . 1 1 5 5 CYS H H 5 7.635 7.635 7.903 -0.268 18354 141 1 5 . 1 1 6 6 CYS HA H 6 4.259 4.259 4.371 -0.112 18354 142 1 5 . 1 1 6 6 CYS H H 6 7.614 7.614 8.233 -0.619 18354 143 1 5 . 1 1 7 7 LEU HA H 7 4.284 4.284 4.587 -0.303 18354 144 1 5 . 1 1 7 7 LEU H H 7 7.636 7.636 7.743 -0.107 18354 145 1 5 . 1 1 8 8 ILE HA H 8 4.510 4.510 4.517 -0.007 18354 146 1 5 . 1 1 8 8 ILE H H 8 7.756 7.756 7.553 0.203 18354 147 1 5 . 1 1 9 9 PRO HA H 9 3.959 3.959 4.263 -0.304 18354 148 1 5 . 1 1 10 10 ALA HA H 10 3.919 3.919 4.313 -0.394 18354 149 1 5 . 1 1 10 10 ALA H H 10 8.534 8.534 8.073 0.461 18354 150 1 5 . 1 1 11 11 CYS HA H 11 4.470 4.470 4.193 0.277 18354 151 1 5 . 1 1 11 11 CYS H H 11 7.321 7.321 7.822 -0.501 18354 152 1 5 . 1 1 12 12 ARG HA H 12 3.851 3.851 4.098 -0.247 18354 153 1 5 . 1 1 12 12 ARG H H 12 8.933 8.933 8.574 0.359 18354 154 1 5 . 1 1 13 13 ARG HA H 13 3.955 3.955 4.107 -0.152 18354 155 1 5 . 1 1 13 13 ARG H H 13 7.755 7.755 7.883 -0.128 18354 156 1 5 . 1 1 14 14 ASN HA H 14 4.766 4.766 4.781 -0.015 18354 157 1 5 . 1 1 14 14 ASN H H 14 7.171 7.171 7.706 -0.535 18354 158 1 5 . 1 1 15 15 HIS HA H 15 4.865 4.865 5.028 -0.163 18354 159 1 5 . 1 1 15 15 HIS H H 15 7.815 7.815 8.081 -0.266 18354 160 1 5 . 1 1 16 16 LYS HA H 16 3.777 3.777 4.185 -0.408 18354 161 1 5 . 1 1 16 16 LYS H H 16 8.086 8.086 8.191 -0.105 18354 162 1 5 . 1 1 17 17 LYS HA H 17 3.920 3.920 4.046 -0.126 18354 163 1 5 . 1 1 17 17 LYS H H 17 8.377 8.377 8.181 0.196 18354 164 1 5 . 1 1 18 18 PHE HA H 18 4.268 4.268 4.128 0.140 18354 165 1 5 . 1 1 18 18 PHE H H 18 7.704 7.704 7.564 0.140 18354 166 1 6 . 1 1 2 2 ASN HA H 2 4.529 4.529 4.545 -0.016 18354 167 1 6 . 1 1 2 2 ASN H H 2 7.684 7.684 7.817 -0.133 18354 168 1 6 . 1 1 3 3 TRP HA H 3 4.212 4.212 4.611 -0.399 18354 169 1 6 . 1 1 3 3 TRP H H 3 8.207 8.207 7.616 0.591 18354 170 1 6 . 1 1 4 4 ARG HA H 4 3.621 3.621 3.798 -0.177 18354 171 1 6 . 1 1 4 4 ARG H H 4 7.655 7.655 7.498 0.157 18354 172 1 6 . 1 1 5 5 CYS HA H 5 4.057 4.057 4.103 -0.046 18354 173 1 6 . 1 1 5 5 CYS H H 5 7.635 7.635 7.624 0.011 18354 174 1 6 . 1 1 6 6 CYS HA H 6 4.259 4.259 4.350 -0.091 18354 175 1 6 . 1 1 6 6 CYS H H 6 7.614 7.614 8.169 -0.555 18354 176 1 6 . 1 1 7 7 LEU HA H 7 4.284 4.284 4.453 -0.169 18354 177 1 6 . 1 1 7 7 LEU H H 7 7.636 7.636 7.899 -0.263 18354 178 1 6 . 1 1 8 8 ILE HA H 8 4.510 4.510 4.525 -0.015 18354 179 1 6 . 1 1 8 8 ILE H H 8 7.756 7.756 7.543 0.213 18354 180 1 6 . 1 1 9 9 PRO HA H 9 3.959 3.959 4.146 -0.187 18354 181 1 6 . 1 1 10 10 ALA HA H 10 3.919 3.919 4.256 -0.337 18354 182 1 6 . 1 1 10 10 ALA H H 10 8.534 8.534 8.325 0.209 18354 183 1 6 . 1 1 11 11 CYS HA H 11 4.470 4.470 4.445 0.025 18354 184 1 6 . 1 1 11 11 CYS H H 11 7.321 7.321 7.839 -0.518 18354 185 1 6 . 1 1 12 12 ARG HA H 12 3.851 3.851 4.121 -0.270 18354 186 1 6 . 1 1 12 12 ARG H H 12 8.933 8.933 8.654 0.279 18354 187 1 6 . 1 1 13 13 ARG HA H 13 3.955 3.955 4.213 -0.258 18354 188 1 6 . 1 1 13 13 ARG H H 13 7.755 7.755 7.780 -0.025 18354 189 1 6 . 1 1 14 14 ASN HA H 14 4.766 4.766 4.667 0.099 18354 190 1 6 . 1 1 14 14 ASN H H 14 7.171 7.171 7.724 -0.553 18354 191 1 6 . 1 1 15 15 HIS HA H 15 4.865 4.865 4.921 -0.056 18354 192 1 6 . 1 1 15 15 HIS H H 15 7.815 7.815 8.090 -0.275 18354 193 1 6 . 1 1 16 16 LYS HA H 16 3.777 3.777 4.242 -0.465 18354 194 1 6 . 1 1 16 16 LYS H H 16 8.086 8.086 7.997 0.089 18354 195 1 6 . 1 1 17 17 LYS HA H 17 3.920 3.920 4.172 -0.252 18354 196 1 6 . 1 1 17 17 LYS H H 17 8.377 8.377 8.095 0.282 18354 197 1 6 . 1 1 18 18 PHE HA H 18 4.268 4.268 4.356 -0.088 18354 198 1 6 . 1 1 18 18 PHE H H 18 7.704 7.704 8.150 -0.446 18354 199 1 7 . 1 1 2 2 ASN HA H 2 4.529 4.529 4.526 0.003 18354 200 1 7 . 1 1 2 2 ASN H H 2 7.684 7.684 7.846 -0.162 18354 201 1 7 . 1 1 3 3 TRP HA H 3 4.212 4.212 4.549 -0.337 18354 202 1 7 . 1 1 3 3 TRP H H 3 8.207 8.207 8.140 0.067 18354 203 1 7 . 1 1 4 4 ARG HA H 4 3.621 3.621 3.894 -0.273 18354 204 1 7 . 1 1 4 4 ARG H H 4 7.655 7.655 7.147 0.508 18354 205 1 7 . 1 1 5 5 CYS HA H 5 4.057 4.057 4.230 -0.173 18354 206 1 7 . 1 1 5 5 CYS H H 5 7.635 7.635 7.733 -0.098 18354 207 1 7 . 1 1 6 6 CYS HA H 6 4.259 4.259 4.353 -0.094 18354 208 1 7 . 1 1 6 6 CYS H H 6 7.614 7.614 8.176 -0.562 18354 209 1 7 . 1 1 7 7 LEU HA H 7 4.284 4.284 4.468 -0.184 18354 210 1 7 . 1 1 7 7 LEU H H 7 7.636 7.636 7.745 -0.109 18354 211 1 7 . 1 1 8 8 ILE HA H 8 4.510 4.510 4.551 -0.041 18354 212 1 7 . 1 1 8 8 ILE H H 8 7.756 7.756 7.567 0.189 18354 213 1 7 . 1 1 9 9 PRO HA H 9 3.959 3.959 4.162 -0.203 18354 214 1 7 . 1 1 10 10 ALA HA H 10 3.919 3.919 4.195 -0.276 18354 215 1 7 . 1 1 10 10 ALA H H 10 8.534 8.534 8.385 0.149 18354 216 1 7 . 1 1 11 11 CYS HA H 11 4.470 4.470 4.293 0.177 18354 217 1 7 . 1 1 11 11 CYS H H 11 7.321 7.321 7.851 -0.530 18354 218 1 7 . 1 1 12 12 ARG HA H 12 3.851 3.851 4.204 -0.353 18354 219 1 7 . 1 1 12 12 ARG H H 12 8.933 8.933 8.669 0.264 18354 220 1 7 . 1 1 13 13 ARG HA H 13 3.955 3.955 4.083 -0.128 18354 221 1 7 . 1 1 13 13 ARG H H 13 7.755 7.755 7.977 -0.222 18354 222 1 7 . 1 1 14 14 ASN HA H 14 4.766 4.766 4.844 -0.078 18354 223 1 7 . 1 1 14 14 ASN H H 14 7.171 7.171 7.742 -0.571 18354 224 1 7 . 1 1 15 15 HIS HA H 15 4.865 4.865 5.197 -0.332 18354 225 1 7 . 1 1 15 15 HIS H H 15 7.815 7.815 7.901 -0.086 18354 226 1 7 . 1 1 16 16 LYS HA H 16 3.777 3.777 4.118 -0.341 18354 227 1 7 . 1 1 16 16 LYS H H 16 8.086 8.086 8.141 -0.055 18354 228 1 7 . 1 1 17 17 LYS HA H 17 3.920 3.920 4.079 -0.159 18354 229 1 7 . 1 1 17 17 LYS H H 17 8.377 8.377 8.086 0.291 18354 230 1 7 . 1 1 18 18 PHE HA H 18 4.268 4.268 4.310 -0.042 18354 231 1 7 . 1 1 18 18 PHE H H 18 7.704 7.704 7.539 0.165 18354 232 1 8 . 1 1 2 2 ASN HA H 2 4.529 4.529 4.551 -0.022 18354 233 1 8 . 1 1 2 2 ASN H H 2 7.684 7.684 7.607 0.077 18354 234 1 8 . 1 1 3 3 TRP HA H 3 4.212 4.212 4.544 -0.332 18354 235 1 8 . 1 1 3 3 TRP H H 3 8.207 8.207 8.490 -0.283 18354 236 1 8 . 1 1 4 4 ARG HA H 4 3.621 3.621 3.702 -0.081 18354 237 1 8 . 1 1 4 4 ARG H H 4 7.655 7.655 7.132 0.523 18354 238 1 8 . 1 1 5 5 CYS HA H 5 4.057 4.057 4.186 -0.129 18354 239 1 8 . 1 1 5 5 CYS H H 5 7.635 7.635 7.599 0.036 18354 240 1 8 . 1 1 6 6 CYS HA H 6 4.259 4.259 4.364 -0.105 18354 241 1 8 . 1 1 6 6 CYS H H 6 7.614 7.614 8.098 -0.484 18354 242 1 8 . 1 1 7 7 LEU HA H 7 4.284 4.284 4.502 -0.218 18354 243 1 8 . 1 1 7 7 LEU H H 7 7.636 7.636 7.632 0.004 18354 244 1 8 . 1 1 8 8 ILE HA H 8 4.510 4.510 4.371 0.139 18354 245 1 8 . 1 1 8 8 ILE H H 8 7.756 7.756 7.491 0.265 18354 246 1 8 . 1 1 9 9 PRO HA H 9 3.959 3.959 4.159 -0.200 18354 247 1 8 . 1 1 10 10 ALA HA H 10 3.919 3.919 4.247 -0.328 18354 248 1 8 . 1 1 10 10 ALA H H 10 8.534 8.534 8.383 0.151 18354 249 1 8 . 1 1 11 11 CYS HA H 11 4.470 4.470 4.434 0.036 18354 250 1 8 . 1 1 11 11 CYS H H 11 7.321 7.321 7.871 -0.550 18354 251 1 8 . 1 1 12 12 ARG HA H 12 3.851 3.851 4.175 -0.324 18354 252 1 8 . 1 1 12 12 ARG H H 12 8.933 8.933 8.614 0.319 18354 253 1 8 . 1 1 13 13 ARG HA H 13 3.955 3.955 4.175 -0.220 18354 254 1 8 . 1 1 13 13 ARG H H 13 7.755 7.755 7.846 -0.091 18354 255 1 8 . 1 1 14 14 ASN HA H 14 4.766 4.766 4.595 0.171 18354 256 1 8 . 1 1 14 14 ASN H H 14 7.171 7.171 7.496 -0.325 18354 257 1 8 . 1 1 15 15 HIS HA H 15 4.865 4.865 4.952 -0.087 18354 258 1 8 . 1 1 15 15 HIS H H 15 7.815 7.815 8.024 -0.209 18354 259 1 8 . 1 1 16 16 LYS HA H 16 3.777 3.777 4.214 -0.437 18354 260 1 8 . 1 1 16 16 LYS H H 16 8.086 8.086 8.269 -0.183 18354 261 1 8 . 1 1 17 17 LYS HA H 17 3.920 3.920 4.130 -0.210 18354 262 1 8 . 1 1 17 17 LYS H H 17 8.377 8.377 7.982 0.395 18354 263 1 8 . 1 1 18 18 PHE HA H 18 4.268 4.268 4.260 0.008 18354 264 1 8 . 1 1 18 18 PHE H H 18 7.704 7.704 7.651 0.053 18354 265 1 9 . 1 1 2 2 ASN HA H 2 4.529 4.529 4.501 0.028 18354 266 1 9 . 1 1 2 2 ASN H H 2 7.684 7.684 7.649 0.035 18354 267 1 9 . 1 1 3 3 TRP HA H 3 4.212 4.212 4.527 -0.315 18354 268 1 9 . 1 1 3 3 TRP H H 3 8.207 8.207 8.191 0.016 18354 269 1 9 . 1 1 4 4 ARG HA H 4 3.621 3.621 3.682 -0.061 18354 270 1 9 . 1 1 4 4 ARG H H 4 7.655 7.655 7.093 0.562 18354 271 1 9 . 1 1 5 5 CYS HA H 5 4.057 4.057 4.173 -0.116 18354 272 1 9 . 1 1 5 5 CYS H H 5 7.635 7.635 7.615 0.020 18354 273 1 9 . 1 1 6 6 CYS HA H 6 4.259 4.259 4.352 -0.093 18354 274 1 9 . 1 1 6 6 CYS H H 6 7.614 7.614 8.113 -0.499 18354 275 1 9 . 1 1 7 7 LEU HA H 7 4.284 4.284 4.509 -0.225 18354 276 1 9 . 1 1 7 7 LEU H H 7 7.636 7.636 7.662 -0.026 18354 277 1 9 . 1 1 8 8 ILE HA H 8 4.510 4.510 4.443 0.067 18354 278 1 9 . 1 1 8 8 ILE H H 8 7.756 7.756 7.468 0.288 18354 279 1 9 . 1 1 9 9 PRO HA H 9 3.959 3.959 4.175 -0.216 18354 280 1 9 . 1 1 10 10 ALA HA H 10 3.919 3.919 4.248 -0.329 18354 281 1 9 . 1 1 10 10 ALA H H 10 8.534 8.534 8.370 0.164 18354 282 1 9 . 1 1 11 11 CYS HA H 11 4.470 4.470 4.422 0.048 18354 283 1 9 . 1 1 11 11 CYS H H 11 7.321 7.321 7.868 -0.547 18354 284 1 9 . 1 1 12 12 ARG HA H 12 3.851 3.851 4.162 -0.311 18354 285 1 9 . 1 1 12 12 ARG H H 12 8.933 8.933 8.656 0.277 18354 286 1 9 . 1 1 13 13 ARG HA H 13 3.955 3.955 4.157 -0.202 18354 287 1 9 . 1 1 13 13 ARG H H 13 7.755 7.755 7.884 -0.129 18354 288 1 9 . 1 1 14 14 ASN HA H 14 4.766 4.766 4.584 0.182 18354 289 1 9 . 1 1 14 14 ASN H H 14 7.171 7.171 7.598 -0.427 18354 290 1 9 . 1 1 15 15 HIS HA H 15 4.865 4.865 4.963 -0.098 18354 291 1 9 . 1 1 15 15 HIS H H 15 7.815 7.815 7.985 -0.170 18354 292 1 9 . 1 1 16 16 LYS HA H 16 3.777 3.777 4.234 -0.457 18354 293 1 9 . 1 1 16 16 LYS H H 16 8.086 8.086 8.283 -0.197 18354 294 1 9 . 1 1 17 17 LYS HA H 17 3.920 3.920 4.151 -0.231 18354 295 1 9 . 1 1 17 17 LYS H H 17 8.377 8.377 8.037 0.340 18354 296 1 9 . 1 1 18 18 PHE HA H 18 4.268 4.268 4.313 -0.045 18354 297 1 9 . 1 1 18 18 PHE H H 18 7.704 7.704 7.651 0.053 18354 298 1 10 . 1 1 2 2 ASN HA H 2 4.529 4.529 4.486 0.043 18354 299 1 10 . 1 1 2 2 ASN H H 2 7.684 7.684 7.720 -0.036 18354 300 1 10 . 1 1 3 3 TRP HA H 3 4.212 4.212 4.542 -0.330 18354 301 1 10 . 1 1 3 3 TRP H H 3 8.207 8.207 8.271 -0.064 18354 302 1 10 . 1 1 4 4 ARG HA H 4 3.621 3.621 3.827 -0.206 18354 303 1 10 . 1 1 4 4 ARG H H 4 7.655 7.655 7.076 0.579 18354 304 1 10 . 1 1 5 5 CYS HA H 5 4.057 4.057 4.144 -0.087 18354 305 1 10 . 1 1 5 5 CYS H H 5 7.635 7.635 7.583 0.052 18354 306 1 10 . 1 1 6 6 CYS HA H 6 4.259 4.259 4.337 -0.078 18354 307 1 10 . 1 1 6 6 CYS H H 6 7.614 7.614 8.100 -0.486 18354 308 1 10 . 1 1 7 7 LEU HA H 7 4.284 4.284 4.492 -0.207 18354 309 1 10 . 1 1 7 7 LEU H H 7 7.636 7.636 7.756 -0.120 18354 310 1 10 . 1 1 8 8 ILE HA H 8 4.510 4.510 4.585 -0.075 18354 311 1 10 . 1 1 8 8 ILE H H 8 7.756 7.756 7.640 0.116 18354 312 1 10 . 1 1 9 9 PRO HA H 9 3.959 3.959 4.271 -0.312 18354 313 1 10 . 1 1 10 10 ALA HA H 10 3.919 3.919 4.370 -0.451 18354 314 1 10 . 1 1 10 10 ALA H H 10 8.534 8.534 8.143 0.391 18354 315 1 10 . 1 1 11 11 CYS HA H 11 4.470 4.470 4.546 -0.076 18354 316 1 10 . 1 1 11 11 CYS H H 11 7.321 7.321 7.838 -0.517 18354 317 1 10 . 1 1 12 12 ARG HA H 12 3.851 3.851 4.185 -0.334 18354 318 1 10 . 1 1 12 12 ARG H H 12 8.933 8.933 8.496 0.437 18354 319 1 10 . 1 1 13 13 ARG HA H 13 3.955 3.955 4.116 -0.161 18354 320 1 10 . 1 1 13 13 ARG H H 13 7.755 7.755 8.135 -0.380 18354 321 1 10 . 1 1 14 14 ASN HA H 14 4.766 4.766 4.757 0.009 18354 322 1 10 . 1 1 14 14 ASN H H 14 7.171 7.171 7.818 -0.647 18354 323 1 10 . 1 1 15 15 HIS HA H 15 4.865 4.865 4.831 0.034 18354 324 1 10 . 1 1 15 15 HIS H H 15 7.815 7.815 7.902 -0.087 18354 325 1 10 . 1 1 16 16 LYS HA H 16 3.777 3.777 4.130 -0.353 18354 326 1 10 . 1 1 16 16 LYS H H 16 8.086 8.086 7.889 0.197 18354 327 1 10 . 1 1 17 17 LYS HA H 17 3.920 3.920 4.115 -0.195 18354 328 1 10 . 1 1 17 17 LYS H H 17 8.377 8.377 8.043 0.334 18354 329 1 10 . 1 1 18 18 PHE HA H 18 4.268 4.268 4.333 -0.065 18354 330 1 10 . 1 1 18 18 PHE H H 18 7.704 7.704 8.009 -0.305 18354 331 1 11 . 1 1 2 2 ASN HA H 2 4.529 4.529 4.563 -0.034 18354 332 1 11 . 1 1 2 2 ASN H H 2 7.684 7.684 7.685 -0.001 18354 333 1 11 . 1 1 3 3 TRP HA H 3 4.212 4.212 4.477 -0.265 18354 334 1 11 . 1 1 3 3 TRP H H 3 8.207 8.207 8.422 -0.215 18354 335 1 11 . 1 1 4 4 ARG HA H 4 3.621 3.621 3.730 -0.109 18354 336 1 11 . 1 1 4 4 ARG H H 4 7.655 7.655 7.130 0.525 18354 337 1 11 . 1 1 5 5 CYS HA H 5 4.057 4.057 4.176 -0.119 18354 338 1 11 . 1 1 5 5 CYS H H 5 7.635 7.635 7.644 -0.009 18354 339 1 11 . 1 1 6 6 CYS HA H 6 4.259 4.259 4.356 -0.097 18354 340 1 11 . 1 1 6 6 CYS H H 6 7.614 7.614 8.123 -0.509 18354 341 1 11 . 1 1 7 7 LEU HA H 7 4.284 4.284 4.507 -0.223 18354 342 1 11 . 1 1 7 7 LEU H H 7 7.636 7.636 7.532 0.104 18354 343 1 11 . 1 1 8 8 ILE HA H 8 4.510 4.510 4.401 0.109 18354 344 1 11 . 1 1 8 8 ILE H H 8 7.756 7.756 7.548 0.208 18354 345 1 11 . 1 1 9 9 PRO HA H 9 3.959 3.959 4.166 -0.207 18354 346 1 11 . 1 1 10 10 ALA HA H 10 3.919 3.919 4.240 -0.321 18354 347 1 11 . 1 1 10 10 ALA H H 10 8.534 8.534 8.335 0.199 18354 348 1 11 . 1 1 11 11 CYS HA H 11 4.470 4.470 4.428 0.042 18354 349 1 11 . 1 1 11 11 CYS H H 11 7.321 7.321 7.875 -0.554 18354 350 1 11 . 1 1 12 12 ARG HA H 12 3.851 3.851 4.181 -0.330 18354 351 1 11 . 1 1 12 12 ARG H H 12 8.933 8.933 8.539 0.394 18354 352 1 11 . 1 1 13 13 ARG HA H 13 3.955 3.955 4.127 -0.172 18354 353 1 11 . 1 1 13 13 ARG H H 13 7.755 7.755 7.795 -0.040 18354 354 1 11 . 1 1 14 14 ASN HA H 14 4.766 4.766 4.599 0.167 18354 355 1 11 . 1 1 14 14 ASN H H 14 7.171 7.171 7.608 -0.437 18354 356 1 11 . 1 1 15 15 HIS HA H 15 4.865 4.865 5.087 -0.222 18354 357 1 11 . 1 1 15 15 HIS H H 15 7.815 7.815 7.924 -0.109 18354 358 1 11 . 1 1 16 16 LYS HA H 16 3.777 3.777 4.332 -0.555 18354 359 1 11 . 1 1 16 16 LYS H H 16 8.086 8.086 7.965 0.121 18354 360 1 11 . 1 1 17 17 LYS HA H 17 3.920 3.920 4.158 -0.238 18354 361 1 11 . 1 1 17 17 LYS H H 17 8.377 8.377 8.289 0.088 18354 362 1 11 . 1 1 18 18 PHE HA H 18 4.268 4.268 4.386 -0.118 18354 363 1 11 . 1 1 18 18 PHE H H 18 7.704 7.704 7.641 0.063 18354 364 1 12 . 1 1 2 2 ASN HA H 2 4.529 4.529 4.706 -0.177 18354 365 1 12 . 1 1 2 2 ASN H H 2 7.684 7.684 7.598 0.086 18354 366 1 12 . 1 1 3 3 TRP HA H 3 4.212 4.212 4.479 -0.267 18354 367 1 12 . 1 1 3 3 TRP H H 3 8.207 8.207 8.888 -0.681 18354 368 1 12 . 1 1 4 4 ARG HA H 4 3.621 3.621 3.772 -0.151 18354 369 1 12 . 1 1 4 4 ARG H H 4 7.655 7.655 7.741 -0.086 18354 370 1 12 . 1 1 5 5 CYS HA H 5 4.057 4.057 4.247 -0.190 18354 371 1 12 . 1 1 5 5 CYS H H 5 7.635 7.635 7.656 -0.021 18354 372 1 12 . 1 1 6 6 CYS HA H 6 4.259 4.259 4.365 -0.106 18354 373 1 12 . 1 1 6 6 CYS H H 6 7.614 7.614 8.153 -0.539 18354 374 1 12 . 1 1 7 7 LEU HA H 7 4.284 4.284 4.495 -0.211 18354 375 1 12 . 1 1 7 7 LEU H H 7 7.636 7.636 7.747 -0.111 18354 376 1 12 . 1 1 8 8 ILE HA H 8 4.510 4.510 4.545 -0.035 18354 377 1 12 . 1 1 8 8 ILE H H 8 7.756 7.756 7.564 0.193 18354 378 1 12 . 1 1 9 9 PRO HA H 9 3.959 3.959 4.186 -0.227 18354 379 1 12 . 1 1 10 10 ALA HA H 10 3.919 3.919 4.247 -0.328 18354 380 1 12 . 1 1 10 10 ALA H H 10 8.534 8.534 8.278 0.256 18354 381 1 12 . 1 1 11 11 CYS HA H 11 4.470 4.470 4.378 0.092 18354 382 1 12 . 1 1 11 11 CYS H H 11 7.321 7.321 7.810 -0.489 18354 383 1 12 . 1 1 12 12 ARG HA H 12 3.851 3.851 4.197 -0.346 18354 384 1 12 . 1 1 12 12 ARG H H 12 8.933 8.933 8.552 0.381 18354 385 1 12 . 1 1 13 13 ARG HA H 13 3.955 3.955 4.083 -0.128 18354 386 1 12 . 1 1 13 13 ARG H H 13 7.755 7.755 7.807 -0.052 18354 387 1 12 . 1 1 14 14 ASN HA H 14 4.766 4.766 4.645 0.121 18354 388 1 12 . 1 1 14 14 ASN H H 14 7.171 7.171 7.650 -0.479 18354 389 1 12 . 1 1 15 15 HIS HA H 15 4.865 4.865 5.213 -0.348 18354 390 1 12 . 1 1 15 15 HIS H H 15 7.815 7.815 7.652 0.163 18354 391 1 12 . 1 1 16 16 LYS HA H 16 3.777 3.777 4.193 -0.416 18354 392 1 12 . 1 1 16 16 LYS H H 16 8.086 8.086 8.142 -0.056 18354 393 1 12 . 1 1 17 17 LYS HA H 17 3.920 3.920 4.142 -0.222 18354 394 1 12 . 1 1 17 17 LYS H H 17 8.377 8.377 8.291 0.086 18354 395 1 12 . 1 1 18 18 PHE HA H 18 4.268 4.268 4.281 -0.013 18354 396 1 12 . 1 1 18 18 PHE H H 18 7.704 7.704 7.360 0.344 18354 397 1 13 . 1 1 2 2 ASN HA H 2 4.529 4.529 4.644 -0.115 18354 398 1 13 . 1 1 2 2 ASN H H 2 7.684 7.684 8.421 -0.737 18354 399 1 13 . 1 1 3 3 TRP HA H 3 4.212 4.212 4.587 -0.375 18354 400 1 13 . 1 1 3 3 TRP H H 3 8.207 8.207 8.335 -0.128 18354 401 1 13 . 1 1 4 4 ARG HA H 4 3.621 3.621 3.848 -0.227 18354 402 1 13 . 1 1 4 4 ARG H H 4 7.655 7.655 7.398 0.257 18354 403 1 13 . 1 1 5 5 CYS HA H 5 4.057 4.057 4.312 -0.255 18354 404 1 13 . 1 1 5 5 CYS H H 5 7.635 7.635 7.852 -0.217 18354 405 1 13 . 1 1 6 6 CYS HA H 6 4.259 4.259 4.383 -0.124 18354 406 1 13 . 1 1 6 6 CYS H H 6 7.614 7.614 8.192 -0.578 18354 407 1 13 . 1 1 7 7 LEU HA H 7 4.284 4.284 4.455 -0.171 18354 408 1 13 . 1 1 7 7 LEU H H 7 7.636 7.636 7.790 -0.154 18354 409 1 13 . 1 1 8 8 ILE HA H 8 4.510 4.510 4.559 -0.049 18354 410 1 13 . 1 1 8 8 ILE H H 8 7.756 7.756 7.543 0.213 18354 411 1 13 . 1 1 9 9 PRO HA H 9 3.959 3.959 4.175 -0.216 18354 412 1 13 . 1 1 10 10 ALA HA H 10 3.919 3.919 4.245 -0.326 18354 413 1 13 . 1 1 10 10 ALA H H 10 8.534 8.534 8.375 0.159 18354 414 1 13 . 1 1 11 11 CYS HA H 11 4.470 4.470 4.413 0.057 18354 415 1 13 . 1 1 11 11 CYS H H 11 7.321 7.321 7.873 -0.552 18354 416 1 13 . 1 1 12 12 ARG HA H 12 3.851 3.851 4.127 -0.276 18354 417 1 13 . 1 1 12 12 ARG H H 12 8.933 8.933 8.632 0.301 18354 418 1 13 . 1 1 13 13 ARG HA H 13 3.955 3.955 4.106 -0.151 18354 419 1 13 . 1 1 13 13 ARG H H 13 7.755 7.755 7.865 -0.110 18354 420 1 13 . 1 1 14 14 ASN HA H 14 4.766 4.766 4.575 0.191 18354 421 1 13 . 1 1 14 14 ASN H H 14 7.171 7.171 7.532 -0.361 18354 422 1 13 . 1 1 15 15 HIS HA H 15 4.865 4.865 5.092 -0.227 18354 423 1 13 . 1 1 15 15 HIS H H 15 7.815 7.815 7.948 -0.133 18354 424 1 13 . 1 1 16 16 LYS HA H 16 3.777 3.777 4.250 -0.473 18354 425 1 13 . 1 1 16 16 LYS H H 16 8.086 8.086 8.144 -0.058 18354 426 1 13 . 1 1 17 17 LYS HA H 17 3.920 3.920 4.133 -0.213 18354 427 1 13 . 1 1 17 17 LYS H H 17 8.377 8.377 7.884 0.493 18354 428 1 13 . 1 1 18 18 PHE HA H 18 4.268 4.268 4.177 0.091 18354 429 1 13 . 1 1 18 18 PHE H H 18 7.704 7.704 7.461 0.243 18354 430 1 14 . 1 1 2 2 ASN HA H 2 4.529 4.529 4.573 -0.044 18354 431 1 14 . 1 1 2 2 ASN H H 2 7.684 7.684 7.802 -0.118 18354 432 1 14 . 1 1 3 3 TRP HA H 3 4.212 4.212 4.452 -0.240 18354 433 1 14 . 1 1 3 3 TRP H H 3 8.207 8.207 8.307 -0.100 18354 434 1 14 . 1 1 4 4 ARG HA H 4 3.621 3.621 3.702 -0.081 18354 435 1 14 . 1 1 4 4 ARG H H 4 7.655 7.655 7.153 0.502 18354 436 1 14 . 1 1 5 5 CYS HA H 5 4.057 4.057 4.198 -0.141 18354 437 1 14 . 1 1 5 5 CYS H H 5 7.635 7.635 7.597 0.038 18354 438 1 14 . 1 1 6 6 CYS HA H 6 4.259 4.259 4.400 -0.141 18354 439 1 14 . 1 1 6 6 CYS H H 6 7.614 7.614 8.169 -0.555 18354 440 1 14 . 1 1 7 7 LEU HA H 7 4.284 4.284 4.571 -0.287 18354 441 1 14 . 1 1 7 7 LEU H H 7 7.636 7.636 7.706 -0.070 18354 442 1 14 . 1 1 8 8 ILE HA H 8 4.510 4.510 4.345 0.165 18354 443 1 14 . 1 1 8 8 ILE H H 8 7.756 7.756 7.511 0.245 18354 444 1 14 . 1 1 9 9 PRO HA H 9 3.959 3.959 4.229 -0.270 18354 445 1 14 . 1 1 10 10 ALA HA H 10 3.919 3.919 4.363 -0.444 18354 446 1 14 . 1 1 10 10 ALA H H 10 8.534 8.534 8.136 0.398 18354 447 1 14 . 1 1 11 11 CYS HA H 11 4.470 4.470 4.652 -0.182 18354 448 1 14 . 1 1 11 11 CYS H H 11 7.321 7.321 7.820 -0.499 18354 449 1 14 . 1 1 12 12 ARG HA H 12 3.851 3.851 4.129 -0.278 18354 450 1 14 . 1 1 12 12 ARG H H 12 8.933 8.933 8.722 0.211 18354 451 1 14 . 1 1 13 13 ARG HA H 13 3.955 3.955 4.108 -0.153 18354 452 1 14 . 1 1 13 13 ARG H H 13 7.755 7.755 8.022 -0.267 18354 453 1 14 . 1 1 14 14 ASN HA H 14 4.766 4.766 4.594 0.172 18354 454 1 14 . 1 1 14 14 ASN H H 14 7.171 7.171 7.613 -0.442 18354 455 1 14 . 1 1 15 15 HIS HA H 15 4.865 4.865 4.978 -0.113 18354 456 1 14 . 1 1 15 15 HIS H H 15 7.815 7.815 7.680 0.135 18354 457 1 14 . 1 1 16 16 LYS HA H 16 3.777 3.777 4.395 -0.618 18354 458 1 14 . 1 1 16 16 LYS H H 16 8.086 8.086 8.199 -0.113 18354 459 1 14 . 1 1 17 17 LYS HA H 17 3.920 3.920 4.106 -0.186 18354 460 1 14 . 1 1 17 17 LYS H H 17 8.377 8.377 8.032 0.345 18354 461 1 14 . 1 1 18 18 PHE HA H 18 4.268 4.268 4.387 -0.119 18354 462 1 14 . 1 1 18 18 PHE H H 18 7.704 7.704 7.933 -0.229 18354 463 1 15 . 1 1 2 2 ASN HA H 2 4.529 4.529 4.744 -0.215 18354 464 1 15 . 1 1 2 2 ASN H H 2 7.684 7.684 7.663 0.021 18354 465 1 15 . 1 1 3 3 TRP HA H 3 4.212 4.212 4.421 -0.209 18354 466 1 15 . 1 1 3 3 TRP H H 3 8.207 8.207 9.050 -0.843 18354 467 1 15 . 1 1 4 4 ARG HA H 4 3.621 3.621 3.413 0.208 18354 468 1 15 . 1 1 4 4 ARG H H 4 7.655 7.655 7.618 0.037 18354 469 1 15 . 1 1 5 5 CYS HA H 5 4.057 4.057 4.176 -0.119 18354 470 1 15 . 1 1 5 5 CYS H H 5 7.635 7.635 7.585 0.050 18354 471 1 15 . 1 1 6 6 CYS HA H 6 4.259 4.259 4.388 -0.129 18354 472 1 15 . 1 1 6 6 CYS H H 6 7.614 7.614 7.788 -0.174 18354 473 1 15 . 1 1 7 7 LEU HA H 7 4.284 4.284 4.426 -0.142 18354 474 1 15 . 1 1 7 7 LEU H H 7 7.636 7.636 7.589 0.047 18354 475 1 15 . 1 1 8 8 ILE HA H 8 4.510 4.510 4.532 -0.022 18354 476 1 15 . 1 1 8 8 ILE H H 8 7.756 7.756 7.525 0.231 18354 477 1 15 . 1 1 9 9 PRO HA H 9 3.959 3.959 4.180 -0.221 18354 478 1 15 . 1 1 10 10 ALA HA H 10 3.919 3.919 4.223 -0.304 18354 479 1 15 . 1 1 10 10 ALA H H 10 8.534 8.534 8.441 0.093 18354 480 1 15 . 1 1 11 11 CYS HA H 11 4.470 4.470 4.422 0.048 18354 481 1 15 . 1 1 11 11 CYS H H 11 7.321 7.321 7.988 -0.667 18354 482 1 15 . 1 1 12 12 ARG HA H 12 3.851 3.851 4.220 -0.369 18354 483 1 15 . 1 1 12 12 ARG H H 12 8.933 8.933 8.598 0.335 18354 484 1 15 . 1 1 13 13 ARG HA H 13 3.955 3.955 4.082 -0.127 18354 485 1 15 . 1 1 13 13 ARG H H 13 7.755 7.755 7.859 -0.104 18354 486 1 15 . 1 1 14 14 ASN HA H 14 4.766 4.766 4.590 0.176 18354 487 1 15 . 1 1 14 14 ASN H H 14 7.171 7.171 7.640 -0.469 18354 488 1 15 . 1 1 15 15 HIS HA H 15 4.865 4.865 5.062 -0.197 18354 489 1 15 . 1 1 15 15 HIS H H 15 7.815 7.815 7.981 -0.166 18354 490 1 15 . 1 1 16 16 LYS HA H 16 3.777 3.777 4.127 -0.350 18354 491 1 15 . 1 1 16 16 LYS H H 16 8.086 8.086 8.428 -0.342 18354 492 1 15 . 1 1 17 17 LYS HA H 17 3.920 3.920 4.043 -0.123 18354 493 1 15 . 1 1 17 17 LYS H H 17 8.377 8.377 8.150 0.227 18354 494 1 15 . 1 1 18 18 PHE HA H 18 4.268 4.268 4.235 0.033 18354 495 1 15 . 1 1 18 18 PHE H H 18 7.704 7.704 7.987 -0.283 18354 496 1 16 . 1 1 2 2 ASN HA H 2 4.529 4.529 4.503 0.026 18354 497 1 16 . 1 1 2 2 ASN H H 2 7.684 7.684 7.986 -0.302 18354 498 1 16 . 1 1 3 3 TRP HA H 3 4.212 4.212 4.331 -0.119 18354 499 1 16 . 1 1 3 3 TRP H H 3 8.207 8.207 7.785 0.422 18354 500 1 16 . 1 1 4 4 ARG HA H 4 3.621 3.621 3.804 -0.183 18354 501 1 16 . 1 1 4 4 ARG H H 4 7.655 7.655 7.202 0.453 18354 502 1 16 . 1 1 5 5 CYS HA H 5 4.057 4.057 4.212 -0.155 18354 503 1 16 . 1 1 5 5 CYS H H 5 7.635 7.635 7.698 -0.063 18354 504 1 16 . 1 1 6 6 CYS HA H 6 4.259 4.259 4.350 -0.091 18354 505 1 16 . 1 1 6 6 CYS H H 6 7.614 7.614 8.041 -0.427 18354 506 1 16 . 1 1 7 7 LEU HA H 7 4.284 4.284 4.498 -0.214 18354 507 1 16 . 1 1 7 7 LEU H H 7 7.636 7.636 7.570 0.066 18354 508 1 16 . 1 1 8 8 ILE HA H 8 4.510 4.510 4.393 0.117 18354 509 1 16 . 1 1 8 8 ILE H H 8 7.756 7.756 7.488 0.268 18354 510 1 16 . 1 1 9 9 PRO HA H 9 3.959 3.959 4.210 -0.251 18354 511 1 16 . 1 1 10 10 ALA HA H 10 3.919 3.919 4.269 -0.350 18354 512 1 16 . 1 1 10 10 ALA H H 10 8.534 8.534 8.446 0.088 18354 513 1 16 . 1 1 11 11 CYS HA H 11 4.470 4.470 4.405 0.065 18354 514 1 16 . 1 1 11 11 CYS H H 11 7.321 7.321 7.970 -0.649 18354 515 1 16 . 1 1 12 12 ARG HA H 12 3.851 3.851 4.128 -0.277 18354 516 1 16 . 1 1 12 12 ARG H H 12 8.933 8.933 8.700 0.233 18354 517 1 16 . 1 1 13 13 ARG HA H 13 3.955 3.955 4.101 -0.146 18354 518 1 16 . 1 1 13 13 ARG H H 13 7.755 7.755 7.774 -0.019 18354 519 1 16 . 1 1 14 14 ASN HA H 14 4.766 4.766 4.612 0.154 18354 520 1 16 . 1 1 14 14 ASN H H 14 7.171 7.171 7.720 -0.549 18354 521 1 16 . 1 1 15 15 HIS HA H 15 4.865 4.865 5.202 -0.337 18354 522 1 16 . 1 1 15 15 HIS H H 15 7.815 7.815 8.011 -0.196 18354 523 1 16 . 1 1 16 16 LYS HA H 16 3.777 3.777 4.203 -0.426 18354 524 1 16 . 1 1 16 16 LYS H H 16 8.086 8.086 8.407 -0.321 18354 525 1 16 . 1 1 17 17 LYS HA H 17 3.920 3.920 4.035 -0.115 18354 526 1 16 . 1 1 17 17 LYS H H 17 8.377 8.377 8.088 0.289 18354 527 1 16 . 1 1 18 18 PHE HA H 18 4.268 4.268 4.415 -0.147 18354 528 1 16 . 1 1 18 18 PHE H H 18 7.704 7.704 7.775 -0.071 18354 529 1 17 . 1 1 2 2 ASN HA H 2 4.529 4.529 4.620 -0.091 18354 530 1 17 . 1 1 2 2 ASN H H 2 7.684 7.684 7.768 -0.084 18354 531 1 17 . 1 1 3 3 TRP HA H 3 4.212 4.212 4.298 -0.086 18354 532 1 17 . 1 1 3 3 TRP H H 3 8.207 8.207 8.567 -0.360 18354 533 1 17 . 1 1 4 4 ARG HA H 4 3.621 3.621 3.779 -0.158 18354 534 1 17 . 1 1 4 4 ARG H H 4 7.655 7.655 7.470 0.185 18354 535 1 17 . 1 1 5 5 CYS HA H 5 4.057 4.057 4.273 -0.216 18354 536 1 17 . 1 1 5 5 CYS H H 5 7.635 7.635 7.722 -0.087 18354 537 1 17 . 1 1 6 6 CYS HA H 6 4.259 4.259 4.342 -0.083 18354 538 1 17 . 1 1 6 6 CYS H H 6 7.614 7.614 8.013 -0.399 18354 539 1 17 . 1 1 7 7 LEU HA H 7 4.284 4.284 4.521 -0.237 18354 540 1 17 . 1 1 7 7 LEU H H 7 7.636 7.636 7.608 0.028 18354 541 1 17 . 1 1 8 8 ILE HA H 8 4.510 4.510 4.609 -0.098 18354 542 1 17 . 1 1 8 8 ILE H H 8 7.756 7.756 7.569 0.187 18354 543 1 17 . 1 1 9 9 PRO HA H 9 3.959 3.959 4.179 -0.220 18354 544 1 17 . 1 1 10 10 ALA HA H 10 3.919 3.919 4.199 -0.280 18354 545 1 17 . 1 1 10 10 ALA H H 10 8.534 8.534 8.354 0.180 18354 546 1 17 . 1 1 11 11 CYS HA H 11 4.470 4.470 4.294 0.176 18354 547 1 17 . 1 1 11 11 CYS H H 11 7.321 7.321 7.789 -0.468 18354 548 1 17 . 1 1 12 12 ARG HA H 12 3.851 3.851 4.178 -0.327 18354 549 1 17 . 1 1 12 12 ARG H H 12 8.933 8.933 8.597 0.336 18354 550 1 17 . 1 1 13 13 ARG HA H 13 3.955 3.955 4.098 -0.143 18354 551 1 17 . 1 1 13 13 ARG H H 13 7.755 7.755 7.953 -0.198 18354 552 1 17 . 1 1 14 14 ASN HA H 14 4.766 4.766 4.753 0.013 18354 553 1 17 . 1 1 14 14 ASN H H 14 7.171 7.171 7.747 -0.576 18354 554 1 17 . 1 1 15 15 HIS HA H 15 4.865 4.865 5.048 -0.183 18354 555 1 17 . 1 1 15 15 HIS H H 15 7.815 7.815 7.684 0.131 18354 556 1 17 . 1 1 16 16 LYS HA H 16 3.777 3.777 4.198 -0.421 18354 557 1 17 . 1 1 16 16 LYS H H 16 8.086 8.086 7.942 0.144 18354 558 1 17 . 1 1 17 17 LYS HA H 17 3.920 3.920 4.166 -0.246 18354 559 1 17 . 1 1 17 17 LYS H H 17 8.377 8.377 8.151 0.226 18354 560 1 17 . 1 1 18 18 PHE HA H 18 4.268 4.268 4.379 -0.111 18354 561 1 17 . 1 1 18 18 PHE H H 18 7.704 7.704 7.522 0.182 18354 562 1 18 . 1 1 2 2 ASN HA H 2 4.529 4.529 4.465 0.064 18354 563 1 18 . 1 1 2 2 ASN H H 2 7.684 7.684 7.730 -0.046 18354 564 1 18 . 1 1 3 3 TRP HA H 3 4.212 4.212 4.571 -0.359 18354 565 1 18 . 1 1 3 3 TRP H H 3 8.207 8.207 7.877 0.330 18354 566 1 18 . 1 1 4 4 ARG HA H 4 3.621 3.621 3.849 -0.228 18354 567 1 18 . 1 1 4 4 ARG H H 4 7.655 7.655 7.276 0.379 18354 568 1 18 . 1 1 5 5 CYS HA H 5 4.057 4.057 4.206 -0.149 18354 569 1 18 . 1 1 5 5 CYS H H 5 7.635 7.635 7.653 -0.018 18354 570 1 18 . 1 1 6 6 CYS HA H 6 4.259 4.259 4.411 -0.152 18354 571 1 18 . 1 1 6 6 CYS H H 6 7.614 7.614 8.231 -0.617 18354 572 1 18 . 1 1 7 7 LEU HA H 7 4.284 4.284 4.571 -0.287 18354 573 1 18 . 1 1 7 7 LEU H H 7 7.636 7.636 7.837 -0.201 18354 574 1 18 . 1 1 8 8 ILE HA H 8 4.510 4.510 4.591 -0.081 18354 575 1 18 . 1 1 8 8 ILE H H 8 7.756 7.756 7.533 0.223 18354 576 1 18 . 1 1 9 9 PRO HA H 9 3.959 3.959 4.280 -0.321 18354 577 1 18 . 1 1 10 10 ALA HA H 10 3.919 3.919 4.427 -0.508 18354 578 1 18 . 1 1 10 10 ALA H H 10 8.534 8.534 8.150 0.384 18354 579 1 18 . 1 1 11 11 CYS HA H 11 4.470 4.470 4.665 -0.195 18354 580 1 18 . 1 1 11 11 CYS H H 11 7.321 7.321 7.810 -0.489 18354 581 1 18 . 1 1 12 12 ARG HA H 12 3.851 3.851 4.152 -0.301 18354 582 1 18 . 1 1 12 12 ARG H H 12 8.933 8.933 8.418 0.515 18354 583 1 18 . 1 1 13 13 ARG HA H 13 3.955 3.955 4.170 -0.215 18354 584 1 18 . 1 1 13 13 ARG H H 13 7.755 7.755 8.249 -0.494 18354 585 1 18 . 1 1 14 14 ASN HA H 14 4.766 4.766 4.580 0.186 18354 586 1 18 . 1 1 14 14 ASN H H 14 7.171 7.171 7.634 -0.463 18354 587 1 18 . 1 1 15 15 HIS HA H 15 4.865 4.865 5.011 -0.146 18354 588 1 18 . 1 1 15 15 HIS H H 15 7.815 7.815 7.583 0.232 18354 589 1 18 . 1 1 16 16 LYS HA H 16 3.777 3.777 4.258 -0.481 18354 590 1 18 . 1 1 16 16 LYS H H 16 8.086 8.086 7.981 0.105 18354 591 1 18 . 1 1 17 17 LYS HA H 17 3.920 3.920 4.194 -0.275 18354 592 1 18 . 1 1 17 17 LYS H H 17 8.377 8.377 8.009 0.368 18354 593 1 18 . 1 1 18 18 PHE HA H 18 4.268 4.268 4.374 -0.106 18354 594 1 18 . 1 1 18 18 PHE H H 18 7.704 7.704 7.596 0.108 18354 595 1 19 . 1 1 2 2 ASN HA H 2 4.529 4.529 4.557 -0.028 18354 596 1 19 . 1 1 2 2 ASN H H 2 7.684 7.684 7.754 -0.070 18354 597 1 19 . 1 1 3 3 TRP HA H 3 4.212 4.212 4.548 -0.336 18354 598 1 19 . 1 1 3 3 TRP H H 3 8.207 8.207 8.294 -0.087 18354 599 1 19 . 1 1 4 4 ARG HA H 4 3.621 3.621 3.761 -0.140 18354 600 1 19 . 1 1 4 4 ARG H H 4 7.655 7.655 7.110 0.545 18354 601 1 19 . 1 1 5 5 CYS HA H 5 4.057 4.057 4.226 -0.169 18354 602 1 19 . 1 1 5 5 CYS H H 5 7.635 7.635 7.670 -0.035 18354 603 1 19 . 1 1 6 6 CYS HA H 6 4.259 4.259 4.363 -0.104 18354 604 1 19 . 1 1 6 6 CYS H H 6 7.614 7.614 8.138 -0.524 18354 605 1 19 . 1 1 7 7 LEU HA H 7 4.284 4.284 4.476 -0.192 18354 606 1 19 . 1 1 7 7 LEU H H 7 7.636 7.636 7.731 -0.095 18354 607 1 19 . 1 1 8 8 ILE HA H 8 4.510 4.510 4.556 -0.046 18354 608 1 19 . 1 1 8 8 ILE H H 8 7.756 7.756 7.613 0.143 18354 609 1 19 . 1 1 9 9 PRO HA H 9 3.959 3.959 4.256 -0.297 18354 610 1 19 . 1 1 10 10 ALA HA H 10 3.919 3.919 4.372 -0.453 18354 611 1 19 . 1 1 10 10 ALA H H 10 8.534 8.534 8.089 0.445 18354 612 1 19 . 1 1 11 11 CYS HA H 11 4.470 4.470 4.414 0.056 18354 613 1 19 . 1 1 11 11 CYS H H 11 7.321 7.321 7.806 -0.485 18354 614 1 19 . 1 1 12 12 ARG HA H 12 3.851 3.851 4.213 -0.362 18354 615 1 19 . 1 1 12 12 ARG H H 12 8.933 8.933 8.640 0.293 18354 616 1 19 . 1 1 13 13 ARG HA H 13 3.955 3.955 4.080 -0.125 18354 617 1 19 . 1 1 13 13 ARG H H 13 7.755 7.755 8.208 -0.453 18354 618 1 19 . 1 1 14 14 ASN HA H 14 4.766 4.766 4.752 0.014 18354 619 1 19 . 1 1 14 14 ASN H H 14 7.171 7.171 7.809 -0.638 18354 620 1 19 . 1 1 15 15 HIS HA H 15 4.865 4.865 5.254 -0.389 18354 621 1 19 . 1 1 15 15 HIS H H 15 7.815 7.815 7.654 0.161 18354 622 1 19 . 1 1 16 16 LYS HA H 16 3.777 3.777 4.153 -0.376 18354 623 1 19 . 1 1 16 16 LYS H H 16 8.086 8.086 7.764 0.322 18354 624 1 19 . 1 1 17 17 LYS HA H 17 3.920 3.920 4.129 -0.209 18354 625 1 19 . 1 1 17 17 LYS H H 17 8.377 8.377 8.224 0.153 18354 626 1 19 . 1 1 18 18 PHE HA H 18 4.268 4.268 4.290 -0.022 18354 627 1 19 . 1 1 18 18 PHE H H 18 7.704 7.704 7.638 0.066 18354 628 1 20 . 1 1 2 2 ASN HA H 2 4.529 4.529 4.595 -0.066 18354 629 1 20 . 1 1 2 2 ASN H H 2 7.684 7.684 7.599 0.085 18354 630 1 20 . 1 1 3 3 TRP HA H 3 4.212 4.212 4.580 -0.368 18354 631 1 20 . 1 1 3 3 TRP H H 3 8.207 8.207 8.491 -0.284 18354 632 1 20 . 1 1 4 4 ARG HA H 4 3.621 3.621 3.616 0.005 18354 633 1 20 . 1 1 4 4 ARG H H 4 7.655 7.655 7.184 0.471 18354 634 1 20 . 1 1 5 5 CYS HA H 5 4.057 4.057 4.183 -0.126 18354 635 1 20 . 1 1 5 5 CYS H H 5 7.635 7.635 7.614 0.021 18354 636 1 20 . 1 1 6 6 CYS HA H 6 4.259 4.259 4.372 -0.113 18354 637 1 20 . 1 1 6 6 CYS H H 6 7.614 7.614 8.148 -0.534 18354 638 1 20 . 1 1 7 7 LEU HA H 7 4.284 4.284 4.516 -0.232 18354 639 1 20 . 1 1 7 7 LEU H H 7 7.636 7.636 7.779 -0.143 18354 640 1 20 . 1 1 8 8 ILE HA H 8 4.510 4.510 4.486 0.024 18354 641 1 20 . 1 1 8 8 ILE H H 8 7.756 7.756 7.491 0.265 18354 642 1 20 . 1 1 9 9 PRO HA H 9 3.959 3.959 4.184 -0.225 18354 643 1 20 . 1 1 10 10 ALA HA H 10 3.919 3.919 4.258 -0.339 18354 644 1 20 . 1 1 10 10 ALA H H 10 8.534 8.534 8.334 0.200 18354 645 1 20 . 1 1 11 11 CYS HA H 11 4.470 4.470 4.421 0.049 18354 646 1 20 . 1 1 11 11 CYS H H 11 7.321 7.321 7.853 -0.532 18354 647 1 20 . 1 1 12 12 ARG HA H 12 3.851 3.851 4.184 -0.333 18354 648 1 20 . 1 1 12 12 ARG H H 12 8.933 8.933 8.601 0.332 18354 649 1 20 . 1 1 13 13 ARG HA H 13 3.955 3.955 4.128 -0.173 18354 650 1 20 . 1 1 13 13 ARG H H 13 7.755 7.755 7.848 -0.093 18354 651 1 20 . 1 1 14 14 ASN HA H 14 4.766 4.766 4.597 0.169 18354 652 1 20 . 1 1 14 14 ASN H H 14 7.171 7.171 7.683 -0.512 18354 653 1 20 . 1 1 15 15 HIS HA H 15 4.865 4.865 4.988 -0.123 18354 654 1 20 . 1 1 15 15 HIS H H 15 7.815 7.815 7.975 -0.160 18354 655 1 20 . 1 1 16 16 LYS HA H 16 3.777 3.777 4.314 -0.537 18354 656 1 20 . 1 1 16 16 LYS H H 16 8.086 8.086 8.253 -0.167 18354 657 1 20 . 1 1 17 17 LYS HA H 17 3.920 3.920 4.200 -0.280 18354 658 1 20 . 1 1 17 17 LYS H H 17 8.377 8.377 7.939 0.438 18354 659 1 20 . 1 1 18 18 PHE HA H 18 4.268 4.268 4.311 -0.043 18354 660 1 20 . 1 1 18 18 PHE H H 18 7.704 7.704 7.630 0.074 18354 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 0 0.000 0.000 0.000 18354 2 1 1 "Average Difference" HA 17 0.227 0.151 0.175 18354 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18354 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 18354 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 18354 6 1 1 "Average Difference" HN 16 0.307 0.045 0.314 18354 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 18354 8 1 2 "Average Difference" HA 17 0.219 0.147 0.168 18354 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18354 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 18354 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 18354 12 1 2 "Average Difference" HN 16 0.293 0.006 0.303 18354 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 18354 14 1 3 "Average Difference" HA 17 0.236 0.169 0.171 18354 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18354 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 18354 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 18354 18 1 3 "Average Difference" HN 16 0.360 0.082 0.361 18354 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 18354 20 1 4 "Average Difference" HA 17 0.259 0.194 0.177 18354 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18354 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 18354 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 18354 24 1 4 "Average Difference" HN 16 0.331 0.035 0.340 18354 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 18354 26 1 5 "Average Difference" HA 17 0.258 0.172 0.198 18354 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18354 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 18354 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 18354 30 1 5 "Average Difference" HN 16 0.415 0.174 0.389 18354 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 18354 32 1 6 "Average Difference" HA 17 0.219 0.159 0.156 18354 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18354 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 18354 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 18354 36 1 6 "Average Difference" HN 16 0.342 0.059 0.348 18354 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 18354 38 1 7 "Average Difference" HA 17 0.219 0.167 0.146 18354 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18354 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 18354 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 18354 42 1 7 "Average Difference" HN 16 0.309 0.048 0.316 18354 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 18354 44 1 8 "Average Difference" HA 17 0.215 0.138 0.170 18354 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18354 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 18354 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 18354 48 1 8 "Average Difference" HN 16 0.300 0.019 0.310 18354 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 18354 50 1 9 "Average Difference" HA 17 0.215 0.140 0.168 18354 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18354 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 18354 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 18354 54 1 9 "Average Difference" HN 16 0.300 0.015 0.309 18354 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 18354 56 1 10 "Average Difference" HA 17 0.221 0.167 0.148 18354 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18354 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 18354 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 18354 60 1 10 "Average Difference" HN 16 0.356 0.033 0.366 18354 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 18354 62 1 11 "Average Difference" HA 17 0.231 0.158 0.174 18354 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18354 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 18354 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 18354 66 1 11 "Average Difference" HN 16 0.292 0.011 0.302 18354 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 18354 68 1 12 "Average Difference" HA 17 0.228 0.174 0.152 18354 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18354 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 18354 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 18354 72 1 12 "Average Difference" HN 16 0.322 0.063 0.326 18354 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 18354 74 1 13 "Average Difference" HA 17 0.235 0.168 0.169 18354 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18354 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 18354 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 18354 78 1 13 "Average Difference" HN 16 0.350 0.085 0.351 18354 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 18354 80 1 14 "Average Difference" HA 17 0.254 0.174 0.190 18354 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18354 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 18354 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 18354 84 1 14 "Average Difference" HN 16 0.313 0.032 0.322 18354 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 18354 86 1 15 "Average Difference" HA 17 0.201 0.121 0.166 18354 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18354 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 18354 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 18354 90 1 15 "Average Difference" HN 16 0.342 0.125 0.329 18354 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 18354 92 1 16 "Average Difference" HA 17 0.214 0.144 0.164 18354 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18354 94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 18354 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 18354 96 1 16 "Average Difference" HN 16 0.331 0.049 0.338 18354 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 18354 98 1 17 "Average Difference" HA 17 0.207 0.159 0.136 18354 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18354 100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 18354 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 18354 102 1 17 "Average Difference" HN 16 0.277 0.036 0.284 18354 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 18354 104 1 18 "Average Difference" HA 17 0.269 0.209 0.174 18354 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18354 106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 18354 107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 18354 108 1 18 "Average Difference" HN 16 0.358 -0.020 0.369 18354 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 18354 110 1 19 "Average Difference" HA 17 0.242 0.187 0.158 18354 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18354 112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 18354 113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 18354 114 1 19 "Average Difference" HN 16 0.345 0.016 0.356 18354 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 18354 116 1 20 "Average Difference" HA 17 0.236 0.159 0.179 18354 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18354 118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 18354 119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 18354 120 1 20 "Average Difference" HN 16 0.320 0.034 0.329 18354 stop_ save_ save_delta_chem_shifts_average _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average _Entity_delta_chem_shifts.Model_type average _Entity_delta_chem_shifts.Entry_ID 18354 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 ASN HA H 2 4.529 4.529 4.576 -0.047 18354 2 1 . 1 1 2 2 ASN H H 2 7.684 7.684 7.835 -0.151 18354 3 1 . 1 1 3 3 TRP HA H 3 4.212 4.212 4.522 -0.310 18354 4 1 . 1 1 3 3 TRP H H 3 8.207 8.207 8.319 -0.112 18354 5 1 . 1 1 4 4 ARG HA H 4 3.621 3.621 3.753 -0.132 18354 6 1 . 1 1 4 4 ARG H H 4 7.655 7.655 7.273 0.382 18354 7 1 . 1 1 5 5 CYS HA H 5 4.057 4.057 4.210 -0.153 18354 8 1 . 1 1 5 5 CYS H H 5 7.635 7.635 7.669 -0.034 18354 9 1 . 1 1 6 6 CYS HA H 6 4.259 4.259 4.366 -0.107 18354 10 1 . 1 1 6 6 CYS H H 6 7.614 7.614 8.120 -0.506 18354 11 1 . 1 1 7 7 LEU HA H 7 4.284 4.284 4.501 -0.217 18354 12 1 . 1 1 7 7 LEU H H 7 7.636 7.636 7.703 -0.067 18354 13 1 . 1 1 8 8 ILE HA H 8 4.510 4.510 4.503 0.007 18354 14 1 . 1 1 8 8 ILE H H 8 7.756 7.756 7.539 0.217 18354 15 1 . 1 1 9 9 PRO HA H 9 3.959 3.959 4.202 -0.243 18354 16 1 . 1 1 10 10 ALA HA H 10 3.919 3.919 4.285 -0.367 18354 17 1 . 1 1 10 10 ALA H H 10 8.534 8.534 8.295 0.239 18354 18 1 . 1 1 11 11 CYS HA H 11 4.470 4.470 4.433 0.037 18354 19 1 . 1 1 11 11 CYS H H 11 7.321 7.321 7.860 -0.539 18354 20 1 . 1 1 12 12 ARG HA H 12 3.851 3.851 4.164 -0.313 18354 21 1 . 1 1 12 12 ARG H H 12 8.933 8.933 8.618 0.315 18354 22 1 . 1 1 13 13 ARG HA H 13 3.955 3.955 4.123 -0.168 18354 23 1 . 1 1 13 13 ARG H H 13 7.755 7.755 7.935 -0.180 18354 24 1 . 1 1 14 14 ASN HA H 14 4.766 4.766 4.643 0.123 18354 25 1 . 1 1 14 14 ASN H H 14 7.171 7.171 7.655 -0.484 18354 26 1 . 1 1 15 15 HIS HA H 15 4.865 4.865 5.057 -0.192 18354 27 1 . 1 1 15 15 HIS H H 15 7.815 7.815 7.909 -0.094 18354 28 1 . 1 1 16 16 LYS HA H 16 3.777 3.777 4.229 -0.452 18354 29 1 . 1 1 16 16 LYS H H 16 8.086 8.086 8.139 -0.053 18354 30 1 . 1 1 17 17 LYS HA H 17 3.920 3.920 4.118 -0.198 18354 31 1 . 1 1 17 17 LYS H H 17 8.377 8.377 8.098 0.279 18354 32 1 . 1 1 18 18 PHE HA H 18 4.268 4.268 4.303 -0.035 18354 33 1 . 1 1 18 18 PHE H H 18 7.704 7.704 7.674 0.030 18354 stop_ save_