data_26040 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 26040 _Entry.PDB_ID 2NCY 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 26040 _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 LEU HA H 2 4.163 4.163 4.435 -0.272 26040 2 1 1 . 1 1 2 2 LEU H H 2 9.299 9.299 7.847 1.452 26040 3 1 1 . 1 1 3 3 ASN HA H 3 4.344 4.344 4.305 0.039 26040 4 1 1 . 1 1 3 3 ASN H H 3 8.767 8.767 8.960 -0.193 26040 5 1 1 . 1 1 4 4 ALA HA H 4 4.154 4.154 4.128 0.026 26040 6 1 1 . 1 1 4 4 ALA H H 4 8.288 8.288 8.296 -0.008 26040 7 1 1 . 1 1 5 5 LEU HA H 5 4.080 4.080 3.960 0.120 26040 8 1 1 . 1 1 5 5 LEU H H 5 7.831 7.831 7.354 0.477 26040 9 1 1 . 1 1 6 6 LYS HA H 6 4.041 4.041 4.133 -0.092 26040 10 1 1 . 1 1 6 6 LYS H H 6 8.200 8.200 8.281 -0.081 26040 11 1 1 . 1 1 7 7 LYS HA H 7 3.986 3.986 4.206 -0.220 26040 12 1 1 . 1 1 7 7 LYS H H 7 7.666 7.666 7.989 -0.323 26040 13 1 1 . 1 1 8 8 VAL HA H 8 4.179 4.179 4.169 0.010 26040 14 1 1 . 1 1 8 8 VAL H H 8 7.933 7.933 7.869 0.064 26040 15 1 1 . 1 1 9 9 PHE HA H 9 4.643 4.643 4.567 0.076 26040 16 1 1 . 1 1 9 9 PHE H H 9 8.183 8.183 8.064 0.119 26040 17 1 1 . 1 1 10 10 GLN HA H 10 4.165 4.165 4.173 -0.008 26040 18 1 1 . 1 1 10 10 GLN H H 10 8.033 8.033 8.018 0.015 26040 19 1 1 . 1 1 11 11 PRO HA H 11 4.643 4.643 4.462 0.181 26040 20 1 1 . 1 1 12 12 ILE HA H 12 3.716 3.716 4.158 -0.442 26040 21 1 1 . 1 1 12 12 ILE H H 12 7.427 7.427 8.176 -0.749 26040 22 1 1 . 1 1 13 13 HIS HA H 13 4.369 4.369 4.101 0.268 26040 23 1 1 . 1 1 13 13 HIS H H 13 8.476 8.476 8.463 0.013 26040 24 1 1 . 1 1 14 14 GLU HA H 14 3.979 3.979 4.018 -0.039 26040 25 1 1 . 1 1 14 14 GLU H H 14 8.395 8.395 7.897 0.498 26040 26 1 1 . 1 1 15 15 ALA HA H 15 3.999 3.999 4.096 -0.097 26040 27 1 1 . 1 1 15 15 ALA H H 15 7.816 7.816 8.009 -0.193 26040 28 1 1 . 1 1 16 16 ILE HA H 16 3.635 3.635 3.519 0.116 26040 29 1 1 . 1 1 16 16 ILE H H 16 8.140 8.140 8.210 -0.070 26040 30 1 1 . 1 1 17 17 LYS HA H 17 4.157 4.157 4.009 0.148 26040 31 1 1 . 1 1 17 17 LYS H H 17 7.767 7.767 7.913 -0.146 26040 32 1 1 . 1 1 18 18 LEU HA H 18 3.751 3.751 4.068 -0.317 26040 33 1 1 . 1 1 18 18 LEU H H 18 7.827 7.827 7.992 -0.165 26040 34 1 1 . 1 1 19 19 ILE HA H 19 3.740 3.740 3.620 0.120 26040 35 1 1 . 1 1 19 19 ILE H H 19 8.058 8.058 8.212 -0.154 26040 36 1 1 . 1 1 20 20 ASN HA H 20 4.527 4.527 4.451 0.076 26040 37 1 1 . 1 1 20 20 ASN H H 20 8.436 8.436 8.484 -0.048 26040 38 1 1 . 1 1 21 21 ASN HA H 21 4.603 4.603 4.690 -0.087 26040 39 1 1 . 1 1 21 21 ASN H H 21 8.064 8.064 8.265 -0.201 26040 40 1 1 . 1 1 22 22 HIS HA H 22 4.322 4.322 4.511 -0.189 26040 41 1 1 . 1 1 22 22 HIS H H 22 7.748 7.748 8.223 -0.475 26040 42 1 1 . 1 1 23 23 VAL HA H 23 4.092 4.092 3.805 0.287 26040 43 1 1 . 1 1 23 23 VAL H H 23 7.573 7.573 8.111 -0.538 26040 44 1 2 . 1 1 2 2 LEU HA H 2 4.163 4.163 4.475 -0.312 26040 45 1 2 . 1 1 2 2 LEU H H 2 9.299 9.299 7.887 1.412 26040 46 1 2 . 1 1 3 3 ASN HA H 3 4.344 4.344 4.307 0.037 26040 47 1 2 . 1 1 3 3 ASN H H 3 8.767 8.767 8.999 -0.232 26040 48 1 2 . 1 1 4 4 ALA HA H 4 4.154 4.154 4.185 -0.031 26040 49 1 2 . 1 1 4 4 ALA H H 4 8.288 8.288 8.252 0.036 26040 50 1 2 . 1 1 5 5 LEU HA H 5 4.080 4.080 3.996 0.084 26040 51 1 2 . 1 1 5 5 LEU H H 5 7.831 7.831 7.418 0.413 26040 52 1 2 . 1 1 6 6 LYS HA H 6 4.041 4.041 4.159 -0.118 26040 53 1 2 . 1 1 6 6 LYS H H 6 8.200 8.200 8.315 -0.115 26040 54 1 2 . 1 1 7 7 LYS HA H 7 3.986 3.986 4.274 -0.288 26040 55 1 2 . 1 1 7 7 LYS H H 7 7.666 7.666 7.976 -0.310 26040 56 1 2 . 1 1 8 8 VAL HA H 8 4.179 4.179 4.314 -0.135 26040 57 1 2 . 1 1 8 8 VAL H H 8 7.933 7.933 7.997 -0.064 26040 58 1 2 . 1 1 9 9 PHE HA H 9 4.643 4.643 4.080 0.563 26040 59 1 2 . 1 1 9 9 PHE H H 9 8.183 8.183 8.128 0.055 26040 60 1 2 . 1 1 10 10 GLN HA H 10 4.165 4.165 4.195 -0.030 26040 61 1 2 . 1 1 10 10 GLN H H 10 8.033 8.033 7.960 0.073 26040 62 1 2 . 1 1 11 11 PRO HA H 11 4.643 4.643 4.477 0.166 26040 63 1 2 . 1 1 12 12 ILE HA H 12 3.716 3.716 3.904 -0.188 26040 64 1 2 . 1 1 12 12 ILE H H 12 7.427 7.427 8.364 -0.937 26040 65 1 2 . 1 1 13 13 HIS HA H 13 4.369 4.369 4.088 0.281 26040 66 1 2 . 1 1 13 13 HIS H H 13 8.476 8.476 8.384 0.092 26040 67 1 2 . 1 1 14 14 GLU HA H 14 3.979 3.979 3.804 0.175 26040 68 1 2 . 1 1 14 14 GLU H H 14 8.395 8.395 7.989 0.406 26040 69 1 2 . 1 1 15 15 ALA HA H 15 3.999 3.999 4.068 -0.069 26040 70 1 2 . 1 1 15 15 ALA H H 15 7.816 7.816 7.404 0.412 26040 71 1 2 . 1 1 16 16 ILE HA H 16 3.635 3.635 3.497 0.138 26040 72 1 2 . 1 1 16 16 ILE H H 16 8.140 8.140 8.081 0.059 26040 73 1 2 . 1 1 17 17 LYS HA H 17 4.157 4.157 3.926 0.231 26040 74 1 2 . 1 1 17 17 LYS H H 17 7.767 7.767 7.767 0.000 26040 75 1 2 . 1 1 18 18 LEU HA H 18 3.751 3.751 3.987 -0.236 26040 76 1 2 . 1 1 18 18 LEU H H 18 7.827 7.827 7.848 -0.021 26040 77 1 2 . 1 1 19 19 ILE HA H 19 3.740 3.740 3.574 0.166 26040 78 1 2 . 1 1 19 19 ILE H H 19 8.058 8.058 8.311 -0.253 26040 79 1 2 . 1 1 20 20 ASN HA H 20 4.527 4.527 4.409 0.118 26040 80 1 2 . 1 1 20 20 ASN H H 20 8.436 8.436 8.515 -0.079 26040 81 1 2 . 1 1 21 21 ASN HA H 21 4.603 4.603 4.696 -0.093 26040 82 1 2 . 1 1 21 21 ASN H H 21 8.064 8.064 8.248 -0.184 26040 83 1 2 . 1 1 22 22 HIS HA H 22 4.322 4.322 4.475 -0.153 26040 84 1 2 . 1 1 22 22 HIS H H 22 7.748 7.748 8.205 -0.457 26040 85 1 2 . 1 1 23 23 VAL HA H 23 4.092 4.092 3.811 0.281 26040 86 1 2 . 1 1 23 23 VAL H H 23 7.573 7.573 8.101 -0.528 26040 87 1 3 . 1 1 2 2 LEU HA H 2 4.163 4.163 4.470 -0.307 26040 88 1 3 . 1 1 2 2 LEU H H 2 9.299 9.299 7.828 1.471 26040 89 1 3 . 1 1 3 3 ASN HA H 3 4.344 4.344 4.314 0.030 26040 90 1 3 . 1 1 3 3 ASN H H 3 8.767 8.767 8.948 -0.181 26040 91 1 3 . 1 1 4 4 ALA HA H 4 4.154 4.154 4.120 0.034 26040 92 1 3 . 1 1 4 4 ALA H H 4 8.288 8.288 8.356 -0.068 26040 93 1 3 . 1 1 5 5 LEU HA H 5 4.080 4.080 4.035 0.045 26040 94 1 3 . 1 1 5 5 LEU H H 5 7.831 7.831 7.498 0.333 26040 95 1 3 . 1 1 6 6 LYS HA H 6 4.041 4.041 4.112 -0.071 26040 96 1 3 . 1 1 6 6 LYS H H 6 8.200 8.200 8.178 0.022 26040 97 1 3 . 1 1 7 7 LYS HA H 7 3.986 3.986 4.316 -0.330 26040 98 1 3 . 1 1 7 7 LYS H H 7 7.666 7.666 7.953 -0.287 26040 99 1 3 . 1 1 8 8 VAL HA H 8 4.179 4.179 4.256 -0.077 26040 100 1 3 . 1 1 8 8 VAL H H 8 7.933 7.933 7.923 0.010 26040 101 1 3 . 1 1 9 9 PHE HA H 9 4.643 4.643 4.474 0.169 26040 102 1 3 . 1 1 9 9 PHE H H 9 8.183 8.183 8.064 0.119 26040 103 1 3 . 1 1 10 10 GLN HA H 10 4.165 4.165 4.161 0.004 26040 104 1 3 . 1 1 10 10 GLN H H 10 8.033 8.033 8.300 -0.267 26040 105 1 3 . 1 1 11 11 PRO HA H 11 4.643 4.643 4.463 0.180 26040 106 1 3 . 1 1 12 12 ILE HA H 12 3.716 3.716 4.054 -0.338 26040 107 1 3 . 1 1 12 12 ILE H H 12 7.427 7.427 8.312 -0.885 26040 108 1 3 . 1 1 13 13 HIS HA H 13 4.369 4.369 4.139 0.230 26040 109 1 3 . 1 1 13 13 HIS H H 13 8.476 8.476 8.510 -0.034 26040 110 1 3 . 1 1 14 14 GLU HA H 14 3.979 3.979 3.934 0.045 26040 111 1 3 . 1 1 14 14 GLU H H 14 8.395 8.395 7.761 0.634 26040 112 1 3 . 1 1 15 15 ALA HA H 15 3.999 3.999 4.094 -0.095 26040 113 1 3 . 1 1 15 15 ALA H H 15 7.816 7.816 8.116 -0.300 26040 114 1 3 . 1 1 16 16 ILE HA H 16 3.635 3.635 3.544 0.091 26040 115 1 3 . 1 1 16 16 ILE H H 16 8.140 8.140 8.232 -0.092 26040 116 1 3 . 1 1 17 17 LYS HA H 17 4.157 4.157 4.062 0.095 26040 117 1 3 . 1 1 17 17 LYS H H 17 7.767 7.767 8.196 -0.429 26040 118 1 3 . 1 1 18 18 LEU HA H 18 3.751 3.751 3.993 -0.242 26040 119 1 3 . 1 1 18 18 LEU H H 18 7.827 7.827 8.039 -0.212 26040 120 1 3 . 1 1 19 19 ILE HA H 19 3.740 3.740 3.789 -0.049 26040 121 1 3 . 1 1 19 19 ILE H H 19 8.058 8.058 8.179 -0.121 26040 122 1 3 . 1 1 20 20 ASN HA H 20 4.527 4.527 4.449 0.078 26040 123 1 3 . 1 1 20 20 ASN H H 20 8.436 8.436 8.590 -0.154 26040 124 1 3 . 1 1 21 21 ASN HA H 21 4.603 4.603 4.794 -0.191 26040 125 1 3 . 1 1 21 21 ASN H H 21 8.064 8.064 8.294 -0.230 26040 126 1 3 . 1 1 22 22 HIS HA H 22 4.322 4.322 4.493 -0.171 26040 127 1 3 . 1 1 22 22 HIS H H 22 7.748 7.748 8.068 -0.320 26040 128 1 3 . 1 1 23 23 VAL HA H 23 4.092 4.092 3.741 0.351 26040 129 1 3 . 1 1 23 23 VAL H H 23 7.573 7.573 8.106 -0.533 26040 130 1 4 . 1 1 2 2 LEU HA H 2 4.163 4.163 4.473 -0.310 26040 131 1 4 . 1 1 2 2 LEU H H 2 9.299 9.299 7.830 1.469 26040 132 1 4 . 1 1 3 3 ASN HA H 3 4.344 4.344 4.320 0.024 26040 133 1 4 . 1 1 3 3 ASN H H 3 8.767 8.767 8.935 -0.168 26040 134 1 4 . 1 1 4 4 ALA HA H 4 4.154 4.154 4.134 0.020 26040 135 1 4 . 1 1 4 4 ALA H H 4 8.288 8.288 8.313 -0.025 26040 136 1 4 . 1 1 5 5 LEU HA H 5 4.080 4.080 4.070 0.010 26040 137 1 4 . 1 1 5 5 LEU H H 5 7.831 7.831 7.545 0.286 26040 138 1 4 . 1 1 6 6 LYS HA H 6 4.041 4.041 4.102 -0.061 26040 139 1 4 . 1 1 6 6 LYS H H 6 8.200 8.200 8.177 0.023 26040 140 1 4 . 1 1 7 7 LYS HA H 7 3.986 3.986 4.269 -0.283 26040 141 1 4 . 1 1 7 7 LYS H H 7 7.666 7.666 7.947 -0.281 26040 142 1 4 . 1 1 8 8 VAL HA H 8 4.179 4.179 4.202 -0.023 26040 143 1 4 . 1 1 8 8 VAL H H 8 7.933 7.933 7.916 0.017 26040 144 1 4 . 1 1 9 9 PHE HA H 9 4.643 4.643 4.466 0.177 26040 145 1 4 . 1 1 9 9 PHE H H 9 8.183 8.183 8.057 0.126 26040 146 1 4 . 1 1 10 10 GLN HA H 10 4.165 4.165 4.123 0.042 26040 147 1 4 . 1 1 10 10 GLN H H 10 8.033 8.033 8.265 -0.232 26040 148 1 4 . 1 1 11 11 PRO HA H 11 4.643 4.643 4.427 0.216 26040 149 1 4 . 1 1 12 12 ILE HA H 12 3.716 3.716 4.075 -0.359 26040 150 1 4 . 1 1 12 12 ILE H H 12 7.427 7.427 8.435 -1.008 26040 151 1 4 . 1 1 13 13 HIS HA H 13 4.369 4.369 4.158 0.211 26040 152 1 4 . 1 1 13 13 HIS H H 13 8.476 8.476 8.631 -0.155 26040 153 1 4 . 1 1 14 14 GLU HA H 14 3.979 3.979 3.969 0.010 26040 154 1 4 . 1 1 14 14 GLU H H 14 8.395 8.395 7.786 0.609 26040 155 1 4 . 1 1 15 15 ALA HA H 15 3.999 3.999 4.097 -0.098 26040 156 1 4 . 1 1 15 15 ALA H H 15 7.816 7.816 8.106 -0.290 26040 157 1 4 . 1 1 16 16 ILE HA H 16 3.635 3.635 3.539 0.096 26040 158 1 4 . 1 1 16 16 ILE H H 16 8.140 8.140 8.238 -0.098 26040 159 1 4 . 1 1 17 17 LYS HA H 17 4.157 4.157 3.968 0.189 26040 160 1 4 . 1 1 17 17 LYS H H 17 7.767 7.767 7.920 -0.153 26040 161 1 4 . 1 1 18 18 LEU HA H 18 3.751 3.751 3.964 -0.213 26040 162 1 4 . 1 1 18 18 LEU H H 18 7.827 7.827 8.035 -0.208 26040 163 1 4 . 1 1 19 19 ILE HA H 19 3.740 3.740 3.639 0.101 26040 164 1 4 . 1 1 19 19 ILE H H 19 8.058 8.058 8.168 -0.110 26040 165 1 4 . 1 1 20 20 ASN HA H 20 4.527 4.527 4.471 0.056 26040 166 1 4 . 1 1 20 20 ASN H H 20 8.436 8.436 8.467 -0.031 26040 167 1 4 . 1 1 21 21 ASN HA H 21 4.603 4.603 4.673 -0.070 26040 168 1 4 . 1 1 21 21 ASN H H 21 8.064 8.064 8.217 -0.153 26040 169 1 4 . 1 1 22 22 HIS HA H 22 4.322 4.322 4.531 -0.209 26040 170 1 4 . 1 1 22 22 HIS H H 22 7.748 7.748 8.108 -0.360 26040 171 1 4 . 1 1 23 23 VAL HA H 23 4.092 4.092 3.756 0.336 26040 172 1 4 . 1 1 23 23 VAL H H 23 7.573 7.573 8.046 -0.473 26040 173 1 5 . 1 1 2 2 LEU HA H 2 4.163 4.163 4.403 -0.240 26040 174 1 5 . 1 1 2 2 LEU H H 2 9.299 9.299 7.848 1.451 26040 175 1 5 . 1 1 3 3 ASN HA H 3 4.344 4.344 4.264 0.080 26040 176 1 5 . 1 1 3 3 ASN H H 3 8.767 8.767 8.833 -0.066 26040 177 1 5 . 1 1 4 4 ALA HA H 4 4.154 4.154 4.094 0.060 26040 178 1 5 . 1 1 4 4 ALA H H 4 8.288 8.288 8.259 0.029 26040 179 1 5 . 1 1 5 5 LEU HA H 5 4.080 4.080 3.951 0.129 26040 180 1 5 . 1 1 5 5 LEU H H 5 7.831 7.831 8.047 -0.216 26040 181 1 5 . 1 1 6 6 LYS HA H 6 4.041 4.041 4.092 -0.051 26040 182 1 5 . 1 1 6 6 LYS H H 6 8.200 8.200 8.124 0.076 26040 183 1 5 . 1 1 7 7 LYS HA H 7 3.986 3.986 4.267 -0.281 26040 184 1 5 . 1 1 7 7 LYS H H 7 7.666 7.666 7.964 -0.298 26040 185 1 5 . 1 1 8 8 VAL HA H 8 4.179 4.179 4.197 -0.018 26040 186 1 5 . 1 1 8 8 VAL H H 8 7.933 7.933 8.092 -0.159 26040 187 1 5 . 1 1 9 9 PHE HA H 9 4.643 4.643 4.522 0.121 26040 188 1 5 . 1 1 9 9 PHE H H 9 8.183 8.183 8.115 0.068 26040 189 1 5 . 1 1 10 10 GLN HA H 10 4.165 4.165 4.210 -0.045 26040 190 1 5 . 1 1 10 10 GLN H H 10 8.033 8.033 8.227 -0.194 26040 191 1 5 . 1 1 11 11 PRO HA H 11 4.643 4.643 4.516 0.128 26040 192 1 5 . 1 1 12 12 ILE HA H 12 3.716 3.716 4.136 -0.420 26040 193 1 5 . 1 1 12 12 ILE H H 12 7.427 7.427 8.171 -0.744 26040 194 1 5 . 1 1 13 13 HIS HA H 13 4.369 4.369 4.103 0.266 26040 195 1 5 . 1 1 13 13 HIS H H 13 8.476 8.476 8.481 -0.005 26040 196 1 5 . 1 1 14 14 GLU HA H 14 3.979 3.979 3.944 0.035 26040 197 1 5 . 1 1 14 14 GLU H H 14 8.395 8.395 8.029 0.366 26040 198 1 5 . 1 1 15 15 ALA HA H 15 3.999 3.999 4.113 -0.114 26040 199 1 5 . 1 1 15 15 ALA H H 15 7.816 7.816 7.320 0.496 26040 200 1 5 . 1 1 16 16 ILE HA H 16 3.635 3.635 3.535 0.100 26040 201 1 5 . 1 1 16 16 ILE H H 16 8.140 8.140 8.237 -0.097 26040 202 1 5 . 1 1 17 17 LYS HA H 17 4.157 4.157 4.065 0.092 26040 203 1 5 . 1 1 17 17 LYS H H 17 7.767 7.767 8.106 -0.339 26040 204 1 5 . 1 1 18 18 LEU HA H 18 3.751 3.751 3.965 -0.214 26040 205 1 5 . 1 1 18 18 LEU H H 18 7.827 7.827 7.939 -0.112 26040 206 1 5 . 1 1 19 19 ILE HA H 19 3.740 3.740 3.769 -0.029 26040 207 1 5 . 1 1 19 19 ILE H H 19 8.058 8.058 8.197 -0.139 26040 208 1 5 . 1 1 20 20 ASN HA H 20 4.527 4.527 4.405 0.122 26040 209 1 5 . 1 1 20 20 ASN H H 20 8.436 8.436 8.508 -0.072 26040 210 1 5 . 1 1 21 21 ASN HA H 21 4.603 4.603 4.707 -0.104 26040 211 1 5 . 1 1 21 21 ASN H H 21 8.064 8.064 8.404 -0.340 26040 212 1 5 . 1 1 22 22 HIS HA H 22 4.322 4.322 4.462 -0.140 26040 213 1 5 . 1 1 22 22 HIS H H 22 7.748 7.748 8.233 -0.485 26040 214 1 5 . 1 1 23 23 VAL HA H 23 4.092 4.092 3.813 0.279 26040 215 1 5 . 1 1 23 23 VAL H H 23 7.573 7.573 8.115 -0.542 26040 216 1 6 . 1 1 2 2 LEU HA H 2 4.163 4.163 4.435 -0.272 26040 217 1 6 . 1 1 2 2 LEU H H 2 9.299 9.299 7.872 1.427 26040 218 1 6 . 1 1 3 3 ASN HA H 3 4.344 4.344 4.289 0.055 26040 219 1 6 . 1 1 3 3 ASN H H 3 8.767 8.767 8.971 -0.204 26040 220 1 6 . 1 1 4 4 ALA HA H 4 4.154 4.154 4.155 -0.001 26040 221 1 6 . 1 1 4 4 ALA H H 4 8.288 8.288 8.283 0.005 26040 222 1 6 . 1 1 5 5 LEU HA H 5 4.080 4.080 4.069 0.011 26040 223 1 6 . 1 1 5 5 LEU H H 5 7.831 7.831 7.400 0.431 26040 224 1 6 . 1 1 6 6 LYS HA H 6 4.041 4.041 4.147 -0.106 26040 225 1 6 . 1 1 6 6 LYS H H 6 8.200 8.200 8.277 -0.077 26040 226 1 6 . 1 1 7 7 LYS HA H 7 3.986 3.986 4.227 -0.241 26040 227 1 6 . 1 1 7 7 LYS H H 7 7.666 7.666 7.991 -0.325 26040 228 1 6 . 1 1 8 8 VAL HA H 8 4.179 4.179 4.145 0.034 26040 229 1 6 . 1 1 8 8 VAL H H 8 7.933 7.933 8.066 -0.133 26040 230 1 6 . 1 1 9 9 PHE HA H 9 4.643 4.643 4.167 0.476 26040 231 1 6 . 1 1 9 9 PHE H H 9 8.183 8.183 8.070 0.113 26040 232 1 6 . 1 1 10 10 GLN HA H 10 4.165 4.165 4.136 0.029 26040 233 1 6 . 1 1 10 10 GLN H H 10 8.033 8.033 8.101 -0.068 26040 234 1 6 . 1 1 11 11 PRO HA H 11 4.643 4.643 4.424 0.219 26040 235 1 6 . 1 1 12 12 ILE HA H 12 3.716 3.716 4.018 -0.302 26040 236 1 6 . 1 1 12 12 ILE H H 12 7.427 7.427 8.416 -0.989 26040 237 1 6 . 1 1 13 13 HIS HA H 13 4.369 4.369 4.143 0.226 26040 238 1 6 . 1 1 13 13 HIS H H 13 8.476 8.476 8.637 -0.162 26040 239 1 6 . 1 1 14 14 GLU HA H 14 3.979 3.979 3.968 0.011 26040 240 1 6 . 1 1 14 14 GLU H H 14 8.395 8.395 7.775 0.620 26040 241 1 6 . 1 1 15 15 ALA HA H 15 3.999 3.999 4.093 -0.094 26040 242 1 6 . 1 1 15 15 ALA H H 15 7.816 7.816 8.093 -0.277 26040 243 1 6 . 1 1 16 16 ILE HA H 16 3.635 3.635 3.500 0.135 26040 244 1 6 . 1 1 16 16 ILE H H 16 8.140 8.140 8.209 -0.069 26040 245 1 6 . 1 1 17 17 LYS HA H 17 4.157 4.157 3.984 0.173 26040 246 1 6 . 1 1 17 17 LYS H H 17 7.767 7.767 8.010 -0.243 26040 247 1 6 . 1 1 18 18 LEU HA H 18 3.751 3.751 3.957 -0.206 26040 248 1 6 . 1 1 18 18 LEU H H 18 7.827 7.827 7.914 -0.087 26040 249 1 6 . 1 1 19 19 ILE HA H 19 3.740 3.740 3.660 0.080 26040 250 1 6 . 1 1 19 19 ILE H H 19 8.058 8.058 8.152 -0.094 26040 251 1 6 . 1 1 20 20 ASN HA H 20 4.527 4.527 4.429 0.098 26040 252 1 6 . 1 1 20 20 ASN H H 20 8.436 8.436 8.439 -0.003 26040 253 1 6 . 1 1 21 21 ASN HA H 21 4.603 4.603 4.654 -0.051 26040 254 1 6 . 1 1 21 21 ASN H H 21 8.064 8.064 8.290 -0.226 26040 255 1 6 . 1 1 22 22 HIS HA H 22 4.322 4.322 4.463 -0.141 26040 256 1 6 . 1 1 22 22 HIS H H 22 7.748 7.748 8.066 -0.318 26040 257 1 6 . 1 1 23 23 VAL HA H 23 4.092 4.092 3.829 0.263 26040 258 1 6 . 1 1 23 23 VAL H H 23 7.573 7.573 8.119 -0.546 26040 259 1 7 . 1 1 2 2 LEU HA H 2 4.163 4.163 4.468 -0.305 26040 260 1 7 . 1 1 2 2 LEU H H 2 9.299 9.299 7.842 1.457 26040 261 1 7 . 1 1 3 3 ASN HA H 3 4.344 4.344 4.330 0.014 26040 262 1 7 . 1 1 3 3 ASN H H 3 8.767 8.767 8.966 -0.199 26040 263 1 7 . 1 1 4 4 ALA HA H 4 4.154 4.154 4.158 -0.004 26040 264 1 7 . 1 1 4 4 ALA H H 4 8.288 8.288 8.357 -0.069 26040 265 1 7 . 1 1 5 5 LEU HA H 5 4.080 4.080 3.990 0.090 26040 266 1 7 . 1 1 5 5 LEU H H 5 7.831 7.831 7.435 0.396 26040 267 1 7 . 1 1 6 6 LYS HA H 6 4.041 4.041 4.100 -0.059 26040 268 1 7 . 1 1 6 6 LYS H H 6 8.200 8.200 8.236 -0.036 26040 269 1 7 . 1 1 7 7 LYS HA H 7 3.986 3.986 4.242 -0.256 26040 270 1 7 . 1 1 7 7 LYS H H 7 7.666 7.666 7.961 -0.295 26040 271 1 7 . 1 1 8 8 VAL HA H 8 4.179 4.179 4.318 -0.139 26040 272 1 7 . 1 1 8 8 VAL H H 8 7.933 7.933 8.045 -0.112 26040 273 1 7 . 1 1 9 9 PHE HA H 9 4.643 4.643 4.510 0.133 26040 274 1 7 . 1 1 9 9 PHE H H 9 8.183 8.183 8.104 0.079 26040 275 1 7 . 1 1 10 10 GLN HA H 10 4.165 4.165 4.134 0.031 26040 276 1 7 . 1 1 10 10 GLN H H 10 8.033 8.033 8.013 0.020 26040 277 1 7 . 1 1 11 11 PRO HA H 11 4.643 4.643 4.340 0.303 26040 278 1 7 . 1 1 12 12 ILE HA H 12 3.716 3.716 4.035 -0.319 26040 279 1 7 . 1 1 12 12 ILE H H 12 7.427 7.427 8.195 -0.768 26040 280 1 7 . 1 1 13 13 HIS HA H 13 4.369 4.369 4.147 0.222 26040 281 1 7 . 1 1 13 13 HIS H H 13 8.476 8.476 8.248 0.228 26040 282 1 7 . 1 1 14 14 GLU HA H 14 3.979 3.979 4.002 -0.023 26040 283 1 7 . 1 1 14 14 GLU H H 14 8.395 8.395 7.840 0.555 26040 284 1 7 . 1 1 15 15 ALA HA H 15 3.999 3.999 4.102 -0.103 26040 285 1 7 . 1 1 15 15 ALA H H 15 7.816 7.816 8.031 -0.215 26040 286 1 7 . 1 1 16 16 ILE HA H 16 3.635 3.635 3.590 0.045 26040 287 1 7 . 1 1 16 16 ILE H H 16 8.140 8.140 8.176 -0.036 26040 288 1 7 . 1 1 17 17 LYS HA H 17 4.157 4.157 3.970 0.187 26040 289 1 7 . 1 1 17 17 LYS H H 17 7.767 7.767 8.017 -0.250 26040 290 1 7 . 1 1 18 18 LEU HA H 18 3.751 3.751 4.071 -0.320 26040 291 1 7 . 1 1 18 18 LEU H H 18 7.827 7.827 7.946 -0.118 26040 292 1 7 . 1 1 19 19 ILE HA H 19 3.740 3.740 3.622 0.118 26040 293 1 7 . 1 1 19 19 ILE H H 19 8.058 8.058 8.299 -0.241 26040 294 1 7 . 1 1 20 20 ASN HA H 20 4.527 4.527 4.453 0.074 26040 295 1 7 . 1 1 20 20 ASN H H 20 8.436 8.436 8.596 -0.160 26040 296 1 7 . 1 1 21 21 ASN HA H 21 4.603 4.603 4.722 -0.119 26040 297 1 7 . 1 1 21 21 ASN H H 21 8.064 8.064 8.315 -0.251 26040 298 1 7 . 1 1 22 22 HIS HA H 22 4.322 4.322 4.355 -0.033 26040 299 1 7 . 1 1 22 22 HIS H H 22 7.748 7.748 8.263 -0.515 26040 300 1 7 . 1 1 23 23 VAL HA H 23 4.092 4.092 3.884 0.208 26040 301 1 7 . 1 1 23 23 VAL H H 23 7.573 7.573 8.073 -0.500 26040 302 1 8 . 1 1 2 2 LEU HA H 2 4.163 4.163 4.504 -0.341 26040 303 1 8 . 1 1 2 2 LEU H H 2 9.299 9.299 7.930 1.369 26040 304 1 8 . 1 1 3 3 ASN HA H 3 4.344 4.344 4.281 0.063 26040 305 1 8 . 1 1 3 3 ASN H H 3 8.767 8.767 8.985 -0.218 26040 306 1 8 . 1 1 4 4 ALA HA H 4 4.154 4.154 4.168 -0.014 26040 307 1 8 . 1 1 4 4 ALA H H 4 8.288 8.288 8.233 0.055 26040 308 1 8 . 1 1 5 5 LEU HA H 5 4.080 4.080 3.962 0.118 26040 309 1 8 . 1 1 5 5 LEU H H 5 7.831 7.831 7.578 0.253 26040 310 1 8 . 1 1 6 6 LYS HA H 6 4.041 4.041 4.137 -0.096 26040 311 1 8 . 1 1 6 6 LYS H H 6 8.200 8.200 8.281 -0.081 26040 312 1 8 . 1 1 7 7 LYS HA H 7 3.986 3.986 4.233 -0.247 26040 313 1 8 . 1 1 7 7 LYS H H 7 7.666 7.666 7.939 -0.273 26040 314 1 8 . 1 1 8 8 VAL HA H 8 4.179 4.179 4.233 -0.054 26040 315 1 8 . 1 1 8 8 VAL H H 8 7.933 7.933 7.951 -0.018 26040 316 1 8 . 1 1 9 9 PHE HA H 9 4.643 4.643 4.735 -0.092 26040 317 1 8 . 1 1 9 9 PHE H H 9 8.183 8.183 8.055 0.128 26040 318 1 8 . 1 1 10 10 GLN HA H 10 4.165 4.165 4.193 -0.028 26040 319 1 8 . 1 1 10 10 GLN H H 10 8.033 8.033 8.011 0.022 26040 320 1 8 . 1 1 11 11 PRO HA H 11 4.643 4.643 4.479 0.164 26040 321 1 8 . 1 1 12 12 ILE HA H 12 3.716 3.716 3.998 -0.282 26040 322 1 8 . 1 1 12 12 ILE H H 12 7.427 7.427 8.357 -0.930 26040 323 1 8 . 1 1 13 13 HIS HA H 13 4.369 4.369 4.093 0.276 26040 324 1 8 . 1 1 13 13 HIS H H 13 8.476 8.476 8.477 -0.001 26040 325 1 8 . 1 1 14 14 GLU HA H 14 3.979 3.979 3.819 0.160 26040 326 1 8 . 1 1 14 14 GLU H H 14 8.395 8.395 8.126 0.269 26040 327 1 8 . 1 1 15 15 ALA HA H 15 3.999 3.999 4.078 -0.079 26040 328 1 8 . 1 1 15 15 ALA H H 15 7.816 7.816 7.423 0.393 26040 329 1 8 . 1 1 16 16 ILE HA H 16 3.635 3.635 3.509 0.126 26040 330 1 8 . 1 1 16 16 ILE H H 16 8.140 8.140 8.189 -0.049 26040 331 1 8 . 1 1 17 17 LYS HA H 17 4.157 4.157 3.970 0.187 26040 332 1 8 . 1 1 17 17 LYS H H 17 7.767 7.767 7.876 -0.109 26040 333 1 8 . 1 1 18 18 LEU HA H 18 3.751 3.751 3.905 -0.154 26040 334 1 8 . 1 1 18 18 LEU H H 18 7.827 7.827 7.811 0.016 26040 335 1 8 . 1 1 19 19 ILE HA H 19 3.740 3.740 3.660 0.080 26040 336 1 8 . 1 1 19 19 ILE H H 19 8.058 8.058 8.184 -0.126 26040 337 1 8 . 1 1 20 20 ASN HA H 20 4.527 4.527 4.457 0.070 26040 338 1 8 . 1 1 20 20 ASN H H 20 8.436 8.436 8.386 0.050 26040 339 1 8 . 1 1 21 21 ASN HA H 21 4.603 4.603 4.648 -0.045 26040 340 1 8 . 1 1 21 21 ASN H H 21 8.064 8.064 8.420 -0.356 26040 341 1 8 . 1 1 22 22 HIS HA H 22 4.322 4.322 4.474 -0.152 26040 342 1 8 . 1 1 22 22 HIS H H 22 7.748 7.748 8.098 -0.350 26040 343 1 8 . 1 1 23 23 VAL HA H 23 4.092 4.092 3.879 0.213 26040 344 1 8 . 1 1 23 23 VAL H H 23 7.573 7.573 8.085 -0.512 26040 345 1 9 . 1 1 2 2 LEU HA H 2 4.163 4.163 4.537 -0.374 26040 346 1 9 . 1 1 2 2 LEU H H 2 9.299 9.299 7.868 1.431 26040 347 1 9 . 1 1 3 3 ASN HA H 3 4.344 4.344 4.337 0.007 26040 348 1 9 . 1 1 3 3 ASN H H 3 8.767 8.767 9.007 -0.240 26040 349 1 9 . 1 1 4 4 ALA HA H 4 4.154 4.154 4.179 -0.025 26040 350 1 9 . 1 1 4 4 ALA H H 4 8.288 8.288 8.338 -0.050 26040 351 1 9 . 1 1 5 5 LEU HA H 5 4.080 4.080 3.992 0.088 26040 352 1 9 . 1 1 5 5 LEU H H 5 7.831 7.831 7.481 0.350 26040 353 1 9 . 1 1 6 6 LYS HA H 6 4.041 4.041 4.136 -0.095 26040 354 1 9 . 1 1 6 6 LYS H H 6 8.200 8.200 8.300 -0.100 26040 355 1 9 . 1 1 7 7 LYS HA H 7 3.986 3.986 4.218 -0.232 26040 356 1 9 . 1 1 7 7 LYS H H 7 7.666 7.666 7.893 -0.227 26040 357 1 9 . 1 1 8 8 VAL HA H 8 4.179 4.179 4.300 -0.121 26040 358 1 9 . 1 1 8 8 VAL H H 8 7.933 7.933 7.935 -0.002 26040 359 1 9 . 1 1 9 9 PHE HA H 9 4.643 4.643 4.108 0.535 26040 360 1 9 . 1 1 9 9 PHE H H 9 8.183 8.183 8.100 0.083 26040 361 1 9 . 1 1 10 10 GLN HA H 10 4.165 4.165 4.184 -0.019 26040 362 1 9 . 1 1 10 10 GLN H H 10 8.033 8.033 7.979 0.054 26040 363 1 9 . 1 1 11 11 PRO HA H 11 4.643 4.643 4.463 0.180 26040 364 1 9 . 1 1 12 12 ILE HA H 12 3.716 3.716 3.943 -0.227 26040 365 1 9 . 1 1 12 12 ILE H H 12 7.427 7.427 8.409 -0.982 26040 366 1 9 . 1 1 13 13 HIS HA H 13 4.369 4.369 4.104 0.265 26040 367 1 9 . 1 1 13 13 HIS H H 13 8.476 8.476 8.454 0.021 26040 368 1 9 . 1 1 14 14 GLU HA H 14 3.979 3.979 3.958 0.021 26040 369 1 9 . 1 1 14 14 GLU H H 14 8.395 8.395 8.166 0.229 26040 370 1 9 . 1 1 15 15 ALA HA H 15 3.999 3.999 4.079 -0.080 26040 371 1 9 . 1 1 15 15 ALA H H 15 7.816 7.816 7.406 0.410 26040 372 1 9 . 1 1 16 16 ILE HA H 16 3.635 3.635 3.525 0.110 26040 373 1 9 . 1 1 16 16 ILE H H 16 8.140 8.140 8.207 -0.067 26040 374 1 9 . 1 1 17 17 LYS HA H 17 4.157 4.157 3.898 0.259 26040 375 1 9 . 1 1 17 17 LYS H H 17 7.767 7.767 7.721 0.046 26040 376 1 9 . 1 1 18 18 LEU HA H 18 3.751 3.751 4.010 -0.259 26040 377 1 9 . 1 1 18 18 LEU H H 18 7.827 7.827 7.956 -0.129 26040 378 1 9 . 1 1 19 19 ILE HA H 19 3.740 3.740 3.683 0.057 26040 379 1 9 . 1 1 19 19 ILE H H 19 8.058 8.058 8.394 -0.336 26040 380 1 9 . 1 1 20 20 ASN HA H 20 4.527 4.527 4.386 0.141 26040 381 1 9 . 1 1 20 20 ASN H H 20 8.436 8.436 8.817 -0.381 26040 382 1 9 . 1 1 21 21 ASN HA H 21 4.603 4.603 4.643 -0.040 26040 383 1 9 . 1 1 21 21 ASN H H 21 8.064 8.064 8.415 -0.351 26040 384 1 9 . 1 1 22 22 HIS HA H 22 4.322 4.322 4.449 -0.127 26040 385 1 9 . 1 1 22 22 HIS H H 22 7.748 7.748 7.949 -0.201 26040 386 1 9 . 1 1 23 23 VAL HA H 23 4.092 4.092 3.728 0.364 26040 387 1 9 . 1 1 23 23 VAL H H 23 7.573 7.573 8.608 -1.035 26040 388 1 10 . 1 1 2 2 LEU HA H 2 4.163 4.163 4.465 -0.302 26040 389 1 10 . 1 1 2 2 LEU H H 2 9.299 9.299 7.839 1.460 26040 390 1 10 . 1 1 3 3 ASN HA H 3 4.344 4.344 4.313 0.031 26040 391 1 10 . 1 1 3 3 ASN H H 3 8.767 8.767 8.946 -0.179 26040 392 1 10 . 1 1 4 4 ALA HA H 4 4.154 4.154 4.110 0.044 26040 393 1 10 . 1 1 4 4 ALA H H 4 8.288 8.288 8.311 -0.023 26040 394 1 10 . 1 1 5 5 LEU HA H 5 4.080 4.080 3.980 0.100 26040 395 1 10 . 1 1 5 5 LEU H H 5 7.831 7.831 7.556 0.275 26040 396 1 10 . 1 1 6 6 LYS HA H 6 4.041 4.041 4.091 -0.050 26040 397 1 10 . 1 1 6 6 LYS H H 6 8.200 8.200 8.181 0.019 26040 398 1 10 . 1 1 7 7 LYS HA H 7 3.986 3.986 4.280 -0.294 26040 399 1 10 . 1 1 7 7 LYS H H 7 7.666 7.666 7.982 -0.316 26040 400 1 10 . 1 1 8 8 VAL HA H 8 4.179 4.179 4.230 -0.051 26040 401 1 10 . 1 1 8 8 VAL H H 8 7.933 7.933 7.971 -0.038 26040 402 1 10 . 1 1 9 9 PHE HA H 9 4.643 4.643 4.460 0.183 26040 403 1 10 . 1 1 9 9 PHE H H 9 8.183 8.183 8.164 0.019 26040 404 1 10 . 1 1 10 10 GLN HA H 10 4.165 4.165 4.199 -0.034 26040 405 1 10 . 1 1 10 10 GLN H H 10 8.033 8.033 8.282 -0.249 26040 406 1 10 . 1 1 11 11 PRO HA H 11 4.643 4.643 4.520 0.123 26040 407 1 10 . 1 1 12 12 ILE HA H 12 3.716 3.716 4.004 -0.288 26040 408 1 10 . 1 1 12 12 ILE H H 12 7.427 7.427 8.284 -0.857 26040 409 1 10 . 1 1 13 13 HIS HA H 13 4.369 4.369 4.133 0.236 26040 410 1 10 . 1 1 13 13 HIS H H 13 8.476 8.476 8.464 0.012 26040 411 1 10 . 1 1 14 14 GLU HA H 14 3.979 3.979 3.953 0.026 26040 412 1 10 . 1 1 14 14 GLU H H 14 8.395 8.395 7.757 0.638 26040 413 1 10 . 1 1 15 15 ALA HA H 15 3.999 3.999 4.079 -0.080 26040 414 1 10 . 1 1 15 15 ALA H H 15 7.816 7.816 8.122 -0.306 26040 415 1 10 . 1 1 16 16 ILE HA H 16 3.635 3.635 3.508 0.127 26040 416 1 10 . 1 1 16 16 ILE H H 16 8.140 8.140 8.199 -0.059 26040 417 1 10 . 1 1 17 17 LYS HA H 17 4.157 4.157 4.061 0.096 26040 418 1 10 . 1 1 17 17 LYS H H 17 7.767 7.767 8.261 -0.494 26040 419 1 10 . 1 1 18 18 LEU HA H 18 3.751 3.751 4.085 -0.334 26040 420 1 10 . 1 1 18 18 LEU H H 18 7.827 7.827 7.986 -0.159 26040 421 1 10 . 1 1 19 19 ILE HA H 19 3.740 3.740 3.572 0.168 26040 422 1 10 . 1 1 19 19 ILE H H 19 8.058 8.058 8.250 -0.192 26040 423 1 10 . 1 1 20 20 ASN HA H 20 4.527 4.527 4.358 0.169 26040 424 1 10 . 1 1 20 20 ASN H H 20 8.436 8.436 8.606 -0.170 26040 425 1 10 . 1 1 21 21 ASN HA H 21 4.603 4.603 4.650 -0.047 26040 426 1 10 . 1 1 21 21 ASN H H 21 8.064 8.064 8.239 -0.175 26040 427 1 10 . 1 1 22 22 HIS HA H 22 4.322 4.322 4.472 -0.150 26040 428 1 10 . 1 1 22 22 HIS H H 22 7.748 7.748 8.046 -0.298 26040 429 1 10 . 1 1 23 23 VAL HA H 23 4.092 4.092 3.824 0.268 26040 430 1 10 . 1 1 23 23 VAL H H 23 7.573 7.573 8.569 -0.996 26040 431 1 11 . 1 1 2 2 LEU HA H 2 4.163 4.163 4.516 -0.353 26040 432 1 11 . 1 1 2 2 LEU H H 2 9.299 9.299 7.860 1.439 26040 433 1 11 . 1 1 3 3 ASN HA H 3 4.344 4.344 4.341 0.003 26040 434 1 11 . 1 1 3 3 ASN H H 3 8.767 8.767 8.992 -0.225 26040 435 1 11 . 1 1 4 4 ALA HA H 4 4.154 4.154 4.178 -0.024 26040 436 1 11 . 1 1 4 4 ALA H H 4 8.288 8.288 8.303 -0.015 26040 437 1 11 . 1 1 5 5 LEU HA H 5 4.080 4.080 3.990 0.090 26040 438 1 11 . 1 1 5 5 LEU H H 5 7.831 7.831 7.463 0.368 26040 439 1 11 . 1 1 6 6 LYS HA H 6 4.041 4.041 4.134 -0.093 26040 440 1 11 . 1 1 6 6 LYS H H 6 8.200 8.200 8.296 -0.096 26040 441 1 11 . 1 1 7 7 LYS HA H 7 3.986 3.986 4.228 -0.241 26040 442 1 11 . 1 1 7 7 LYS H H 7 7.666 7.666 7.913 -0.247 26040 443 1 11 . 1 1 8 8 VAL HA H 8 4.179 4.179 4.288 -0.109 26040 444 1 11 . 1 1 8 8 VAL H H 8 7.933 7.933 7.857 0.076 26040 445 1 11 . 1 1 9 9 PHE HA H 9 4.643 4.643 4.084 0.559 26040 446 1 11 . 1 1 9 9 PHE H H 9 8.183 8.183 8.021 0.162 26040 447 1 11 . 1 1 10 10 GLN HA H 10 4.165 4.165 4.158 0.007 26040 448 1 11 . 1 1 10 10 GLN H H 10 8.033 8.033 7.915 0.118 26040 449 1 11 . 1 1 11 11 PRO HA H 11 4.643 4.643 4.277 0.366 26040 450 1 11 . 1 1 12 12 ILE HA H 12 3.716 3.716 3.885 -0.169 26040 451 1 11 . 1 1 12 12 ILE H H 12 7.427 7.427 8.262 -0.835 26040 452 1 11 . 1 1 13 13 HIS HA H 13 4.369 4.369 4.144 0.225 26040 453 1 11 . 1 1 13 13 HIS H H 13 8.476 8.476 8.022 0.454 26040 454 1 11 . 1 1 14 14 GLU HA H 14 3.979 3.979 4.026 -0.047 26040 455 1 11 . 1 1 14 14 GLU H H 14 8.395 8.395 7.892 0.503 26040 456 1 11 . 1 1 15 15 ALA HA H 15 3.999 3.999 4.076 -0.077 26040 457 1 11 . 1 1 15 15 ALA H H 15 7.816 7.816 7.999 -0.183 26040 458 1 11 . 1 1 16 16 ILE HA H 16 3.635 3.635 3.554 0.081 26040 459 1 11 . 1 1 16 16 ILE H H 16 8.140 8.140 8.163 -0.023 26040 460 1 11 . 1 1 17 17 LYS HA H 17 4.157 4.157 3.986 0.171 26040 461 1 11 . 1 1 17 17 LYS H H 17 7.767 7.767 7.925 -0.158 26040 462 1 11 . 1 1 18 18 LEU HA H 18 3.751 3.751 4.053 -0.302 26040 463 1 11 . 1 1 18 18 LEU H H 18 7.827 7.827 8.033 -0.206 26040 464 1 11 . 1 1 19 19 ILE HA H 19 3.740 3.740 3.636 0.104 26040 465 1 11 . 1 1 19 19 ILE H H 19 8.058 8.058 8.383 -0.325 26040 466 1 11 . 1 1 20 20 ASN HA H 20 4.527 4.527 4.511 0.016 26040 467 1 11 . 1 1 20 20 ASN H H 20 8.436 8.436 8.507 -0.071 26040 468 1 11 . 1 1 21 21 ASN HA H 21 4.603 4.603 4.689 -0.086 26040 469 1 11 . 1 1 21 21 ASN H H 21 8.064 8.064 8.324 -0.260 26040 470 1 11 . 1 1 22 22 HIS HA H 22 4.322 4.322 4.517 -0.195 26040 471 1 11 . 1 1 22 22 HIS H H 22 7.748 7.748 8.165 -0.417 26040 472 1 11 . 1 1 23 23 VAL HA H 23 4.092 4.092 3.857 0.235 26040 473 1 11 . 1 1 23 23 VAL H H 23 7.573 7.573 8.151 -0.578 26040 474 1 12 . 1 1 2 2 LEU HA H 2 4.163 4.163 4.324 -0.161 26040 475 1 12 . 1 1 2 2 LEU H H 2 9.299 9.299 8.200 1.099 26040 476 1 12 . 1 1 3 3 ASN HA H 3 4.344 4.344 4.343 0.001 26040 477 1 12 . 1 1 3 3 ASN H H 3 8.767 8.767 8.854 -0.087 26040 478 1 12 . 1 1 4 4 ALA HA H 4 4.154 4.154 4.182 -0.028 26040 479 1 12 . 1 1 4 4 ALA H H 4 8.288 8.288 8.367 -0.079 26040 480 1 12 . 1 1 5 5 LEU HA H 5 4.080 4.080 3.971 0.109 26040 481 1 12 . 1 1 5 5 LEU H H 5 7.831 7.831 7.512 0.319 26040 482 1 12 . 1 1 6 6 LYS HA H 6 4.041 4.041 4.154 -0.113 26040 483 1 12 . 1 1 6 6 LYS H H 6 8.200 8.200 8.295 -0.095 26040 484 1 12 . 1 1 7 7 LYS HA H 7 3.986 3.986 4.270 -0.284 26040 485 1 12 . 1 1 7 7 LYS H H 7 7.666 7.666 7.953 -0.287 26040 486 1 12 . 1 1 8 8 VAL HA H 8 4.179 4.179 4.269 -0.090 26040 487 1 12 . 1 1 8 8 VAL H H 8 7.933 7.933 7.868 0.065 26040 488 1 12 . 1 1 9 9 PHE HA H 9 4.643 4.643 4.722 -0.079 26040 489 1 12 . 1 1 9 9 PHE H H 9 8.183 8.183 8.068 0.115 26040 490 1 12 . 1 1 10 10 GLN HA H 10 4.165 4.165 4.194 -0.029 26040 491 1 12 . 1 1 10 10 GLN H H 10 8.033 8.033 8.063 -0.030 26040 492 1 12 . 1 1 11 11 PRO HA H 11 4.643 4.643 4.483 0.160 26040 493 1 12 . 1 1 12 12 ILE HA H 12 3.716 3.716 3.997 -0.281 26040 494 1 12 . 1 1 12 12 ILE H H 12 7.427 7.427 8.360 -0.933 26040 495 1 12 . 1 1 13 13 HIS HA H 13 4.369 4.369 4.077 0.292 26040 496 1 12 . 1 1 13 13 HIS H H 13 8.476 8.476 8.491 -0.015 26040 497 1 12 . 1 1 14 14 GLU HA H 14 3.979 3.979 3.820 0.159 26040 498 1 12 . 1 1 14 14 GLU H H 14 8.395 8.395 8.155 0.240 26040 499 1 12 . 1 1 15 15 ALA HA H 15 3.999 3.999 4.075 -0.076 26040 500 1 12 . 1 1 15 15 ALA H H 15 7.816 7.816 7.433 0.383 26040 501 1 12 . 1 1 16 16 ILE HA H 16 3.635 3.635 3.478 0.157 26040 502 1 12 . 1 1 16 16 ILE H H 16 8.140 8.140 8.071 0.069 26040 503 1 12 . 1 1 17 17 LYS HA H 17 4.157 4.157 3.955 0.202 26040 504 1 12 . 1 1 17 17 LYS H H 17 7.767 7.767 7.744 0.023 26040 505 1 12 . 1 1 18 18 LEU HA H 18 3.751 3.751 3.925 -0.174 26040 506 1 12 . 1 1 18 18 LEU H H 18 7.827 7.827 7.738 0.089 26040 507 1 12 . 1 1 19 19 ILE HA H 19 3.740 3.740 3.624 0.116 26040 508 1 12 . 1 1 19 19 ILE H H 19 8.058 8.058 8.146 -0.088 26040 509 1 12 . 1 1 20 20 ASN HA H 20 4.527 4.527 4.356 0.171 26040 510 1 12 . 1 1 20 20 ASN H H 20 8.436 8.436 8.564 -0.128 26040 511 1 12 . 1 1 21 21 ASN HA H 21 4.603 4.603 4.627 -0.024 26040 512 1 12 . 1 1 21 21 ASN H H 21 8.064 8.064 8.171 -0.107 26040 513 1 12 . 1 1 22 22 HIS HA H 22 4.322 4.322 4.408 -0.086 26040 514 1 12 . 1 1 22 22 HIS H H 22 7.748 7.748 8.101 -0.353 26040 515 1 12 . 1 1 23 23 VAL HA H 23 4.092 4.092 3.771 0.321 26040 516 1 12 . 1 1 23 23 VAL H H 23 7.573 7.573 8.538 -0.965 26040 517 1 13 . 1 1 2 2 LEU HA H 2 4.163 4.163 4.501 -0.338 26040 518 1 13 . 1 1 2 2 LEU H H 2 9.299 9.299 7.874 1.425 26040 519 1 13 . 1 1 3 3 ASN HA H 3 4.344 4.344 4.321 0.023 26040 520 1 13 . 1 1 3 3 ASN H H 3 8.767 8.767 8.989 -0.223 26040 521 1 13 . 1 1 4 4 ALA HA H 4 4.154 4.154 4.167 -0.013 26040 522 1 13 . 1 1 4 4 ALA H H 4 8.288 8.288 8.328 -0.040 26040 523 1 13 . 1 1 5 5 LEU HA H 5 4.080 4.080 4.008 0.072 26040 524 1 13 . 1 1 5 5 LEU H H 5 7.831 7.831 7.381 0.450 26040 525 1 13 . 1 1 6 6 LYS HA H 6 4.041 4.041 4.157 -0.116 26040 526 1 13 . 1 1 6 6 LYS H H 6 8.200 8.200 8.313 -0.113 26040 527 1 13 . 1 1 7 7 LYS HA H 7 3.986 3.986 4.242 -0.256 26040 528 1 13 . 1 1 7 7 LYS H H 7 7.666 7.666 8.001 -0.335 26040 529 1 13 . 1 1 8 8 VAL HA H 8 4.179 4.179 4.328 -0.149 26040 530 1 13 . 1 1 8 8 VAL H H 8 7.933 7.933 7.919 0.014 26040 531 1 13 . 1 1 9 9 PHE HA H 9 4.643 4.643 4.122 0.521 26040 532 1 13 . 1 1 9 9 PHE H H 9 8.183 8.183 8.091 0.092 26040 533 1 13 . 1 1 10 10 GLN HA H 10 4.165 4.165 4.198 -0.033 26040 534 1 13 . 1 1 10 10 GLN H H 10 8.033 8.033 8.112 -0.079 26040 535 1 13 . 1 1 11 11 PRO HA H 11 4.643 4.643 4.416 0.227 26040 536 1 13 . 1 1 12 12 ILE HA H 12 3.716 3.716 4.084 -0.368 26040 537 1 13 . 1 1 12 12 ILE H H 12 7.427 7.427 8.090 -0.663 26040 538 1 13 . 1 1 13 13 HIS HA H 13 4.369 4.369 4.130 0.239 26040 539 1 13 . 1 1 13 13 HIS H H 13 8.476 8.476 8.259 0.217 26040 540 1 13 . 1 1 14 14 GLU HA H 14 3.979 3.979 4.036 -0.057 26040 541 1 13 . 1 1 14 14 GLU H H 14 8.395 8.395 7.949 0.446 26040 542 1 13 . 1 1 15 15 ALA HA H 15 3.999 3.999 4.074 -0.075 26040 543 1 13 . 1 1 15 15 ALA H H 15 7.816 7.816 8.039 -0.223 26040 544 1 13 . 1 1 16 16 ILE HA H 16 3.635 3.635 3.553 0.082 26040 545 1 13 . 1 1 16 16 ILE H H 16 8.140 8.140 8.119 0.021 26040 546 1 13 . 1 1 17 17 LYS HA H 17 4.157 4.157 3.998 0.159 26040 547 1 13 . 1 1 17 17 LYS H H 17 7.767 7.767 7.933 -0.166 26040 548 1 13 . 1 1 18 18 LEU HA H 18 3.751 3.751 4.083 -0.332 26040 549 1 13 . 1 1 18 18 LEU H H 18 7.827 7.827 8.091 -0.264 26040 550 1 13 . 1 1 19 19 ILE HA H 19 3.740 3.740 3.569 0.171 26040 551 1 13 . 1 1 19 19 ILE H H 19 8.058 8.058 8.205 -0.147 26040 552 1 13 . 1 1 20 20 ASN HA H 20 4.527 4.527 4.417 0.110 26040 553 1 13 . 1 1 20 20 ASN H H 20 8.436 8.436 8.420 0.016 26040 554 1 13 . 1 1 21 21 ASN HA H 21 4.603 4.603 4.652 -0.049 26040 555 1 13 . 1 1 21 21 ASN H H 21 8.064 8.064 8.254 -0.190 26040 556 1 13 . 1 1 22 22 HIS HA H 22 4.322 4.322 4.506 -0.184 26040 557 1 13 . 1 1 22 22 HIS H H 22 7.748 7.748 8.031 -0.283 26040 558 1 13 . 1 1 23 23 VAL HA H 23 4.092 4.092 3.910 0.182 26040 559 1 13 . 1 1 23 23 VAL H H 23 7.573 7.573 8.007 -0.434 26040 560 1 14 . 1 1 2 2 LEU HA H 2 4.163 4.163 4.304 -0.141 26040 561 1 14 . 1 1 2 2 LEU H H 2 9.299 9.299 8.105 1.194 26040 562 1 14 . 1 1 3 3 ASN HA H 3 4.344 4.344 4.303 0.041 26040 563 1 14 . 1 1 3 3 ASN H H 3 8.767 8.767 8.845 -0.078 26040 564 1 14 . 1 1 4 4 ALA HA H 4 4.154 4.154 4.109 0.045 26040 565 1 14 . 1 1 4 4 ALA H H 4 8.288 8.288 8.278 0.010 26040 566 1 14 . 1 1 5 5 LEU HA H 5 4.080 4.080 3.943 0.137 26040 567 1 14 . 1 1 5 5 LEU H H 5 7.831 7.831 8.036 -0.205 26040 568 1 14 . 1 1 6 6 LYS HA H 6 4.041 4.041 4.069 -0.028 26040 569 1 14 . 1 1 6 6 LYS H H 6 8.200 8.200 8.118 0.082 26040 570 1 14 . 1 1 7 7 LYS HA H 7 3.986 3.986 4.255 -0.269 26040 571 1 14 . 1 1 7 7 LYS H H 7 7.666 7.666 7.991 -0.325 26040 572 1 14 . 1 1 8 8 VAL HA H 8 4.179 4.179 4.164 0.015 26040 573 1 14 . 1 1 8 8 VAL H H 8 7.933 7.933 7.949 -0.016 26040 574 1 14 . 1 1 9 9 PHE HA H 9 4.643 4.643 4.544 0.099 26040 575 1 14 . 1 1 9 9 PHE H H 9 8.183 8.183 8.133 0.050 26040 576 1 14 . 1 1 10 10 GLN HA H 10 4.165 4.165 4.155 0.010 26040 577 1 14 . 1 1 10 10 GLN H H 10 8.033 8.033 8.152 -0.119 26040 578 1 14 . 1 1 11 11 PRO HA H 11 4.643 4.643 4.459 0.184 26040 579 1 14 . 1 1 12 12 ILE HA H 12 3.716 3.716 4.007 -0.291 26040 580 1 14 . 1 1 12 12 ILE H H 12 7.427 7.427 8.266 -0.839 26040 581 1 14 . 1 1 13 13 HIS HA H 13 4.369 4.369 4.100 0.269 26040 582 1 14 . 1 1 13 13 HIS H H 13 8.476 8.476 8.415 0.061 26040 583 1 14 . 1 1 14 14 GLU HA H 14 3.979 3.979 3.917 0.062 26040 584 1 14 . 1 1 14 14 GLU H H 14 8.395 8.395 7.939 0.456 26040 585 1 14 . 1 1 15 15 ALA HA H 15 3.999 3.999 4.108 -0.109 26040 586 1 14 . 1 1 15 15 ALA H H 15 7.816 7.816 7.949 -0.133 26040 587 1 14 . 1 1 16 16 ILE HA H 16 3.635 3.635 3.546 0.089 26040 588 1 14 . 1 1 16 16 ILE H H 16 8.140 8.140 8.133 0.007 26040 589 1 14 . 1 1 17 17 LYS HA H 17 4.157 4.157 4.039 0.118 26040 590 1 14 . 1 1 17 17 LYS H H 17 7.767 7.767 8.037 -0.270 26040 591 1 14 . 1 1 18 18 LEU HA H 18 3.751 3.751 4.072 -0.321 26040 592 1 14 . 1 1 18 18 LEU H H 18 7.827 7.827 8.134 -0.307 26040 593 1 14 . 1 1 19 19 ILE HA H 19 3.740 3.740 3.816 -0.076 26040 594 1 14 . 1 1 19 19 ILE H H 19 8.058 8.058 8.323 -0.265 26040 595 1 14 . 1 1 20 20 ASN HA H 20 4.527 4.527 4.414 0.113 26040 596 1 14 . 1 1 20 20 ASN H H 20 8.436 8.436 8.636 -0.200 26040 597 1 14 . 1 1 21 21 ASN HA H 21 4.603 4.603 4.688 -0.085 26040 598 1 14 . 1 1 21 21 ASN H H 21 8.064 8.064 8.293 -0.229 26040 599 1 14 . 1 1 22 22 HIS HA H 22 4.322 4.322 4.389 -0.067 26040 600 1 14 . 1 1 22 22 HIS H H 22 7.748 7.748 8.363 -0.615 26040 601 1 14 . 1 1 23 23 VAL HA H 23 4.092 4.092 3.836 0.256 26040 602 1 14 . 1 1 23 23 VAL H H 23 7.573 7.573 8.060 -0.487 26040 603 1 15 . 1 1 2 2 LEU HA H 2 4.163 4.163 4.405 -0.242 26040 604 1 15 . 1 1 2 2 LEU H H 2 9.299 9.299 7.771 1.528 26040 605 1 15 . 1 1 3 3 ASN HA H 3 4.344 4.344 4.295 0.049 26040 606 1 15 . 1 1 3 3 ASN H H 3 8.767 8.767 8.990 -0.223 26040 607 1 15 . 1 1 4 4 ALA HA H 4 4.154 4.154 4.106 0.048 26040 608 1 15 . 1 1 4 4 ALA H H 4 8.288 8.288 8.384 -0.096 26040 609 1 15 . 1 1 5 5 LEU HA H 5 4.080 4.080 4.034 0.046 26040 610 1 15 . 1 1 5 5 LEU H H 5 7.831 7.831 7.406 0.425 26040 611 1 15 . 1 1 6 6 LYS HA H 6 4.041 4.041 4.150 -0.109 26040 612 1 15 . 1 1 6 6 LYS H H 6 8.200 8.200 8.256 -0.056 26040 613 1 15 . 1 1 7 7 LYS HA H 7 3.986 3.986 4.288 -0.302 26040 614 1 15 . 1 1 7 7 LYS H H 7 7.666 7.666 8.020 -0.354 26040 615 1 15 . 1 1 8 8 VAL HA H 8 4.179 4.179 4.244 -0.065 26040 616 1 15 . 1 1 8 8 VAL H H 8 7.933 7.933 8.055 -0.122 26040 617 1 15 . 1 1 9 9 PHE HA H 9 4.643 4.643 4.239 0.404 26040 618 1 15 . 1 1 9 9 PHE H H 9 8.183 8.183 8.056 0.127 26040 619 1 15 . 1 1 10 10 GLN HA H 10 4.165 4.165 4.171 -0.006 26040 620 1 15 . 1 1 10 10 GLN H H 10 8.033 8.033 8.103 -0.070 26040 621 1 15 . 1 1 11 11 PRO HA H 11 4.643 4.643 4.465 0.178 26040 622 1 15 . 1 1 12 12 ILE HA H 12 3.716 3.716 4.054 -0.338 26040 623 1 15 . 1 1 12 12 ILE H H 12 7.427 7.427 8.303 -0.876 26040 624 1 15 . 1 1 13 13 HIS HA H 13 4.369 4.369 4.133 0.236 26040 625 1 15 . 1 1 13 13 HIS H H 13 8.476 8.476 8.481 -0.005 26040 626 1 15 . 1 1 14 14 GLU HA H 14 3.979 3.979 3.958 0.021 26040 627 1 15 . 1 1 14 14 GLU H H 14 8.395 8.395 7.768 0.627 26040 628 1 15 . 1 1 15 15 ALA HA H 15 3.999 3.999 4.115 -0.116 26040 629 1 15 . 1 1 15 15 ALA H H 15 7.816 7.816 8.132 -0.316 26040 630 1 15 . 1 1 16 16 ILE HA H 16 3.635 3.635 3.542 0.093 26040 631 1 15 . 1 1 16 16 ILE H H 16 8.140 8.140 8.171 -0.031 26040 632 1 15 . 1 1 17 17 LYS HA H 17 4.157 4.157 4.041 0.116 26040 633 1 15 . 1 1 17 17 LYS H H 17 7.767 7.767 8.298 -0.531 26040 634 1 15 . 1 1 18 18 LEU HA H 18 3.751 3.751 4.063 -0.312 26040 635 1 15 . 1 1 18 18 LEU H H 18 7.827 7.827 8.038 -0.211 26040 636 1 15 . 1 1 19 19 ILE HA H 19 3.740 3.740 3.521 0.219 26040 637 1 15 . 1 1 19 19 ILE H H 19 8.058 8.058 8.135 -0.077 26040 638 1 15 . 1 1 20 20 ASN HA H 20 4.527 4.527 4.398 0.129 26040 639 1 15 . 1 1 20 20 ASN H H 20 8.436 8.436 8.753 -0.317 26040 640 1 15 . 1 1 21 21 ASN HA H 21 4.603 4.603 4.652 -0.049 26040 641 1 15 . 1 1 21 21 ASN H H 21 8.064 8.064 8.120 -0.056 26040 642 1 15 . 1 1 22 22 HIS HA H 22 4.322 4.322 4.568 -0.246 26040 643 1 15 . 1 1 22 22 HIS H H 22 7.748 7.748 7.967 -0.219 26040 644 1 15 . 1 1 23 23 VAL HA H 23 4.092 4.092 3.762 0.330 26040 645 1 15 . 1 1 23 23 VAL H H 23 7.573 7.573 8.574 -1.001 26040 646 1 16 . 1 1 2 2 LEU HA H 2 4.163 4.163 4.515 -0.352 26040 647 1 16 . 1 1 2 2 LEU H H 2 9.299 9.299 7.863 1.436 26040 648 1 16 . 1 1 3 3 ASN HA H 3 4.344 4.344 4.324 0.020 26040 649 1 16 . 1 1 3 3 ASN H H 3 8.767 8.767 8.989 -0.222 26040 650 1 16 . 1 1 4 4 ALA HA H 4 4.154 4.154 4.125 0.029 26040 651 1 16 . 1 1 4 4 ALA H H 4 8.288 8.288 8.266 0.022 26040 652 1 16 . 1 1 5 5 LEU HA H 5 4.080 4.080 3.952 0.128 26040 653 1 16 . 1 1 5 5 LEU H H 5 7.831 7.831 7.387 0.444 26040 654 1 16 . 1 1 6 6 LYS HA H 6 4.041 4.041 4.133 -0.092 26040 655 1 16 . 1 1 6 6 LYS H H 6 8.200 8.200 8.274 -0.074 26040 656 1 16 . 1 1 7 7 LYS HA H 7 3.986 3.986 4.259 -0.273 26040 657 1 16 . 1 1 7 7 LYS H H 7 7.666 7.666 7.964 -0.298 26040 658 1 16 . 1 1 8 8 VAL HA H 8 4.179 4.179 4.221 -0.042 26040 659 1 16 . 1 1 8 8 VAL H H 8 7.933 7.933 7.894 0.039 26040 660 1 16 . 1 1 9 9 PHE HA H 9 4.643 4.643 4.584 0.059 26040 661 1 16 . 1 1 9 9 PHE H H 9 8.183 8.183 7.971 0.212 26040 662 1 16 . 1 1 10 10 GLN HA H 10 4.165 4.165 4.177 -0.012 26040 663 1 16 . 1 1 10 10 GLN H H 10 8.033 8.033 7.937 0.096 26040 664 1 16 . 1 1 11 11 PRO HA H 11 4.643 4.643 4.460 0.183 26040 665 1 16 . 1 1 12 12 ILE HA H 12 3.716 3.716 4.155 -0.439 26040 666 1 16 . 1 1 12 12 ILE H H 12 7.427 7.427 8.177 -0.750 26040 667 1 16 . 1 1 13 13 HIS HA H 13 4.369 4.369 4.102 0.267 26040 668 1 16 . 1 1 13 13 HIS H H 13 8.476 8.476 8.452 0.024 26040 669 1 16 . 1 1 14 14 GLU HA H 14 3.979 3.979 4.020 -0.041 26040 670 1 16 . 1 1 14 14 GLU H H 14 8.395 8.395 7.905 0.490 26040 671 1 16 . 1 1 15 15 ALA HA H 15 3.999 3.999 4.103 -0.104 26040 672 1 16 . 1 1 15 15 ALA H H 15 7.816 7.816 8.011 -0.195 26040 673 1 16 . 1 1 16 16 ILE HA H 16 3.635 3.635 3.502 0.133 26040 674 1 16 . 1 1 16 16 ILE H H 16 8.140 8.140 8.148 -0.008 26040 675 1 16 . 1 1 17 17 LYS HA H 17 4.157 4.157 4.024 0.133 26040 676 1 16 . 1 1 17 17 LYS H H 17 7.767 7.767 8.074 -0.307 26040 677 1 16 . 1 1 18 18 LEU HA H 18 3.751 3.751 4.049 -0.298 26040 678 1 16 . 1 1 18 18 LEU H H 18 7.827 7.827 8.027 -0.200 26040 679 1 16 . 1 1 19 19 ILE HA H 19 3.740 3.740 3.563 0.177 26040 680 1 16 . 1 1 19 19 ILE H H 19 8.058 8.058 8.152 -0.094 26040 681 1 16 . 1 1 20 20 ASN HA H 20 4.527 4.527 4.352 0.175 26040 682 1 16 . 1 1 20 20 ASN H H 20 8.436 8.436 8.331 0.105 26040 683 1 16 . 1 1 21 21 ASN HA H 21 4.603 4.603 4.475 0.128 26040 684 1 16 . 1 1 21 21 ASN H H 21 8.064 8.064 8.293 -0.229 26040 685 1 16 . 1 1 22 22 HIS HA H 22 4.322 4.322 4.382 -0.060 26040 686 1 16 . 1 1 22 22 HIS H H 22 7.748 7.748 8.170 -0.422 26040 687 1 16 . 1 1 23 23 VAL HA H 23 4.092 4.092 3.780 0.312 26040 688 1 16 . 1 1 23 23 VAL H H 23 7.573 7.573 8.103 -0.530 26040 689 1 17 . 1 1 2 2 LEU HA H 2 4.163 4.163 4.508 -0.345 26040 690 1 17 . 1 1 2 2 LEU H H 2 9.299 9.299 7.897 1.402 26040 691 1 17 . 1 1 3 3 ASN HA H 3 4.344 4.344 4.298 0.046 26040 692 1 17 . 1 1 3 3 ASN H H 3 8.767 8.767 8.973 -0.206 26040 693 1 17 . 1 1 4 4 ALA HA H 4 4.154 4.154 4.167 -0.013 26040 694 1 17 . 1 1 4 4 ALA H H 4 8.288 8.288 8.237 0.051 26040 695 1 17 . 1 1 5 5 LEU HA H 5 4.080 4.080 3.970 0.110 26040 696 1 17 . 1 1 5 5 LEU H H 5 7.831 7.831 7.568 0.263 26040 697 1 17 . 1 1 6 6 LYS HA H 6 4.041 4.041 4.130 -0.089 26040 698 1 17 . 1 1 6 6 LYS H H 6 8.200 8.200 8.280 -0.080 26040 699 1 17 . 1 1 7 7 LYS HA H 7 3.986 3.986 4.290 -0.304 26040 700 1 17 . 1 1 7 7 LYS H H 7 7.666 7.666 8.057 -0.391 26040 701 1 17 . 1 1 8 8 VAL HA H 8 4.179 4.179 4.292 -0.113 26040 702 1 17 . 1 1 8 8 VAL H H 8 7.933 7.933 7.942 -0.009 26040 703 1 17 . 1 1 9 9 PHE HA H 9 4.643 4.643 4.627 0.016 26040 704 1 17 . 1 1 9 9 PHE H H 9 8.183 8.183 8.060 0.123 26040 705 1 17 . 1 1 10 10 GLN HA H 10 4.165 4.165 4.223 -0.058 26040 706 1 17 . 1 1 10 10 GLN H H 10 8.033 8.033 8.095 -0.062 26040 707 1 17 . 1 1 11 11 PRO HA H 11 4.643 4.643 4.535 0.108 26040 708 1 17 . 1 1 12 12 ILE HA H 12 3.716 3.716 4.001 -0.285 26040 709 1 17 . 1 1 12 12 ILE H H 12 7.427 7.427 8.356 -0.929 26040 710 1 17 . 1 1 13 13 HIS HA H 13 4.369 4.369 4.092 0.277 26040 711 1 17 . 1 1 13 13 HIS H H 13 8.476 8.476 8.433 0.043 26040 712 1 17 . 1 1 14 14 GLU HA H 14 3.979 3.979 3.804 0.175 26040 713 1 17 . 1 1 14 14 GLU H H 14 8.395 8.395 8.049 0.346 26040 714 1 17 . 1 1 15 15 ALA HA H 15 3.999 3.999 4.084 -0.085 26040 715 1 17 . 1 1 15 15 ALA H H 15 7.816 7.816 8.072 -0.256 26040 716 1 17 . 1 1 16 16 ILE HA H 16 3.635 3.635 3.552 0.083 26040 717 1 17 . 1 1 16 16 ILE H H 16 8.140 8.140 8.092 0.048 26040 718 1 17 . 1 1 17 17 LYS HA H 17 4.157 4.157 3.983 0.174 26040 719 1 17 . 1 1 17 17 LYS H H 17 7.767 7.767 7.966 -0.199 26040 720 1 17 . 1 1 18 18 LEU HA H 18 3.751 3.751 4.063 -0.312 26040 721 1 17 . 1 1 18 18 LEU H H 18 7.827 7.827 7.975 -0.148 26040 722 1 17 . 1 1 19 19 ILE HA H 19 3.740 3.740 3.686 0.054 26040 723 1 17 . 1 1 19 19 ILE H H 19 8.058 8.058 8.235 -0.177 26040 724 1 17 . 1 1 20 20 ASN HA H 20 4.527 4.527 4.439 0.088 26040 725 1 17 . 1 1 20 20 ASN H H 20 8.436 8.436 8.451 -0.015 26040 726 1 17 . 1 1 21 21 ASN HA H 21 4.603 4.603 4.769 -0.166 26040 727 1 17 . 1 1 21 21 ASN H H 21 8.064 8.064 8.224 -0.160 26040 728 1 17 . 1 1 22 22 HIS HA H 22 4.322 4.322 4.481 -0.159 26040 729 1 17 . 1 1 22 22 HIS H H 22 7.748 7.748 8.078 -0.330 26040 730 1 17 . 1 1 23 23 VAL HA H 23 4.092 4.092 3.854 0.238 26040 731 1 17 . 1 1 23 23 VAL H H 23 7.573 7.573 7.922 -0.349 26040 732 1 18 . 1 1 2 2 LEU HA H 2 4.163 4.163 4.487 -0.324 26040 733 1 18 . 1 1 2 2 LEU H H 2 9.299 9.299 7.859 1.440 26040 734 1 18 . 1 1 3 3 ASN HA H 3 4.344 4.344 4.316 0.027 26040 735 1 18 . 1 1 3 3 ASN H H 3 8.767 8.767 8.980 -0.213 26040 736 1 18 . 1 1 4 4 ALA HA H 4 4.154 4.154 4.134 0.020 26040 737 1 18 . 1 1 4 4 ALA H H 4 8.288 8.288 8.345 -0.057 26040 738 1 18 . 1 1 5 5 LEU HA H 5 4.080 4.080 3.995 0.085 26040 739 1 18 . 1 1 5 5 LEU H H 5 7.831 7.831 7.381 0.450 26040 740 1 18 . 1 1 6 6 LYS HA H 6 4.041 4.041 4.148 -0.107 26040 741 1 18 . 1 1 6 6 LYS H H 6 8.200 8.200 8.297 -0.097 26040 742 1 18 . 1 1 7 7 LYS HA H 7 3.986 3.986 4.228 -0.242 26040 743 1 18 . 1 1 7 7 LYS H H 7 7.666 7.666 7.907 -0.241 26040 744 1 18 . 1 1 8 8 VAL HA H 8 4.179 4.179 4.236 -0.057 26040 745 1 18 . 1 1 8 8 VAL H H 8 7.933 7.933 7.944 -0.011 26040 746 1 18 . 1 1 9 9 PHE HA H 9 4.643 4.643 4.487 0.156 26040 747 1 18 . 1 1 9 9 PHE H H 9 8.183 8.183 8.208 -0.025 26040 748 1 18 . 1 1 10 10 GLN HA H 10 4.165 4.165 4.177 -0.012 26040 749 1 18 . 1 1 10 10 GLN H H 10 8.033 8.033 7.999 0.034 26040 750 1 18 . 1 1 11 11 PRO HA H 11 4.643 4.643 4.468 0.175 26040 751 1 18 . 1 1 12 12 ILE HA H 12 3.716 3.716 4.104 -0.388 26040 752 1 18 . 1 1 12 12 ILE H H 12 7.427 7.427 8.145 -0.718 26040 753 1 18 . 1 1 13 13 HIS HA H 13 4.369 4.369 4.123 0.246 26040 754 1 18 . 1 1 13 13 HIS H H 13 8.476 8.476 8.505 -0.029 26040 755 1 18 . 1 1 14 14 GLU HA H 14 3.979 3.979 4.089 -0.110 26040 756 1 18 . 1 1 14 14 GLU H H 14 8.395 8.395 8.092 0.303 26040 757 1 18 . 1 1 15 15 ALA HA H 15 3.999 3.999 4.080 -0.081 26040 758 1 18 . 1 1 15 15 ALA H H 15 7.816 7.816 7.260 0.556 26040 759 1 18 . 1 1 16 16 ILE HA H 16 3.635 3.635 3.593 0.042 26040 760 1 18 . 1 1 16 16 ILE H H 16 8.140 8.140 8.053 0.087 26040 761 1 18 . 1 1 17 17 LYS HA H 17 4.157 4.157 4.069 0.088 26040 762 1 18 . 1 1 17 17 LYS H H 17 7.767 7.767 7.981 -0.214 26040 763 1 18 . 1 1 18 18 LEU HA H 18 3.751 3.751 4.098 -0.347 26040 764 1 18 . 1 1 18 18 LEU H H 18 7.827 7.827 7.884 -0.057 26040 765 1 18 . 1 1 19 19 ILE HA H 19 3.740 3.740 3.761 -0.021 26040 766 1 18 . 1 1 19 19 ILE H H 19 8.058 8.058 8.358 -0.300 26040 767 1 18 . 1 1 20 20 ASN HA H 20 4.527 4.527 4.387 0.140 26040 768 1 18 . 1 1 20 20 ASN H H 20 8.436 8.436 8.718 -0.282 26040 769 1 18 . 1 1 21 21 ASN HA H 21 4.603 4.603 4.623 -0.020 26040 770 1 18 . 1 1 21 21 ASN H H 21 8.064 8.064 8.168 -0.104 26040 771 1 18 . 1 1 22 22 HIS HA H 22 4.322 4.322 4.396 -0.074 26040 772 1 18 . 1 1 22 22 HIS H H 22 7.748 7.748 8.007 -0.259 26040 773 1 18 . 1 1 23 23 VAL HA H 23 4.092 4.092 3.855 0.237 26040 774 1 18 . 1 1 23 23 VAL H H 23 7.573 7.573 8.621 -1.048 26040 775 1 19 . 1 1 2 2 LEU HA H 2 4.163 4.163 4.321 -0.158 26040 776 1 19 . 1 1 2 2 LEU H H 2 9.299 9.299 8.195 1.104 26040 777 1 19 . 1 1 3 3 ASN HA H 3 4.344 4.344 4.340 0.004 26040 778 1 19 . 1 1 3 3 ASN H H 3 8.767 8.767 8.839 -0.072 26040 779 1 19 . 1 1 4 4 ALA HA H 4 4.154 4.154 4.151 0.003 26040 780 1 19 . 1 1 4 4 ALA H H 4 8.288 8.288 8.326 -0.038 26040 781 1 19 . 1 1 5 5 LEU HA H 5 4.080 4.080 4.098 -0.018 26040 782 1 19 . 1 1 5 5 LEU H H 5 7.831 7.831 7.602 0.229 26040 783 1 19 . 1 1 6 6 LYS HA H 6 4.041 4.041 4.149 -0.108 26040 784 1 19 . 1 1 6 6 LYS H H 6 8.200 8.200 8.168 0.032 26040 785 1 19 . 1 1 7 7 LYS HA H 7 3.986 3.986 4.329 -0.343 26040 786 1 19 . 1 1 7 7 LYS H H 7 7.666 7.666 7.999 -0.333 26040 787 1 19 . 1 1 8 8 VAL HA H 8 4.179 4.179 4.385 -0.206 26040 788 1 19 . 1 1 8 8 VAL H H 8 7.933 7.933 8.004 -0.071 26040 789 1 19 . 1 1 9 9 PHE HA H 9 4.643 4.643 4.167 0.476 26040 790 1 19 . 1 1 9 9 PHE H H 9 8.183 8.183 8.084 0.099 26040 791 1 19 . 1 1 10 10 GLN HA H 10 4.165 4.165 4.142 0.023 26040 792 1 19 . 1 1 10 10 GLN H H 10 8.033 8.033 8.284 -0.251 26040 793 1 19 . 1 1 11 11 PRO HA H 11 4.643 4.643 4.344 0.299 26040 794 1 19 . 1 1 12 12 ILE HA H 12 3.716 3.716 4.052 -0.336 26040 795 1 19 . 1 1 12 12 ILE H H 12 7.427 7.427 8.028 -0.601 26040 796 1 19 . 1 1 13 13 HIS HA H 13 4.369 4.369 4.160 0.209 26040 797 1 19 . 1 1 13 13 HIS H H 13 8.476 8.476 8.273 0.203 26040 798 1 19 . 1 1 14 14 GLU HA H 14 3.979 3.979 4.021 -0.042 26040 799 1 19 . 1 1 14 14 GLU H H 14 8.395 8.395 7.886 0.509 26040 800 1 19 . 1 1 15 15 ALA HA H 15 3.999 3.999 4.098 -0.099 26040 801 1 19 . 1 1 15 15 ALA H H 15 7.816 7.816 7.544 0.272 26040 802 1 19 . 1 1 16 16 ILE HA H 16 3.635 3.635 3.631 0.004 26040 803 1 19 . 1 1 16 16 ILE H H 16 8.140 8.140 8.027 0.113 26040 804 1 19 . 1 1 17 17 LYS HA H 17 4.157 4.157 4.017 0.140 26040 805 1 19 . 1 1 17 17 LYS H H 17 7.767 7.767 8.221 -0.454 26040 806 1 19 . 1 1 18 18 LEU HA H 18 3.751 3.751 4.120 -0.369 26040 807 1 19 . 1 1 18 18 LEU H H 18 7.827 7.827 8.136 -0.309 26040 808 1 19 . 1 1 19 19 ILE HA H 19 3.740 3.740 3.803 -0.063 26040 809 1 19 . 1 1 19 19 ILE H H 19 8.058 8.058 8.334 -0.276 26040 810 1 19 . 1 1 20 20 ASN HA H 20 4.527 4.527 4.496 0.031 26040 811 1 19 . 1 1 20 20 ASN H H 20 8.436 8.436 8.684 -0.248 26040 812 1 19 . 1 1 21 21 ASN HA H 21 4.603 4.603 4.656 -0.053 26040 813 1 19 . 1 1 21 21 ASN H H 21 8.064 8.064 8.154 -0.090 26040 814 1 19 . 1 1 22 22 HIS HA H 22 4.322 4.322 4.532 -0.210 26040 815 1 19 . 1 1 22 22 HIS H H 22 7.748 7.748 8.072 -0.324 26040 816 1 19 . 1 1 23 23 VAL HA H 23 4.092 4.092 3.829 0.263 26040 817 1 19 . 1 1 23 23 VAL H H 23 7.573 7.573 7.900 -0.327 26040 818 1 20 . 1 1 2 2 LEU HA H 2 4.163 4.163 4.458 -0.295 26040 819 1 20 . 1 1 2 2 LEU H H 2 9.299 9.299 7.897 1.402 26040 820 1 20 . 1 1 3 3 ASN HA H 3 4.344 4.344 4.278 0.066 26040 821 1 20 . 1 1 3 3 ASN H H 3 8.767 8.767 8.969 -0.202 26040 822 1 20 . 1 1 4 4 ALA HA H 4 4.154 4.154 4.167 -0.013 26040 823 1 20 . 1 1 4 4 ALA H H 4 8.288 8.288 8.237 0.051 26040 824 1 20 . 1 1 5 5 LEU HA H 5 4.080 4.080 3.964 0.116 26040 825 1 20 . 1 1 5 5 LEU H H 5 7.831 7.831 7.576 0.255 26040 826 1 20 . 1 1 6 6 LYS HA H 6 4.041 4.041 4.127 -0.086 26040 827 1 20 . 1 1 6 6 LYS H H 6 8.200 8.200 8.278 -0.078 26040 828 1 20 . 1 1 7 7 LYS HA H 7 3.986 3.986 4.210 -0.224 26040 829 1 20 . 1 1 7 7 LYS H H 7 7.666 7.666 7.973 -0.307 26040 830 1 20 . 1 1 8 8 VAL HA H 8 4.179 4.179 4.234 -0.055 26040 831 1 20 . 1 1 8 8 VAL H H 8 7.933 7.933 7.922 0.011 26040 832 1 20 . 1 1 9 9 PHE HA H 9 4.643 4.643 4.581 0.062 26040 833 1 20 . 1 1 9 9 PHE H H 9 8.183 8.183 8.016 0.167 26040 834 1 20 . 1 1 10 10 GLN HA H 10 4.165 4.165 4.197 -0.032 26040 835 1 20 . 1 1 10 10 GLN H H 10 8.033 8.033 8.044 -0.011 26040 836 1 20 . 1 1 11 11 PRO HA H 11 4.643 4.643 4.482 0.161 26040 837 1 20 . 1 1 12 12 ILE HA H 12 3.716 3.716 4.119 -0.403 26040 838 1 20 . 1 1 12 12 ILE H H 12 7.427 7.427 8.278 -0.851 26040 839 1 20 . 1 1 13 13 HIS HA H 13 4.369 4.369 4.100 0.269 26040 840 1 20 . 1 1 13 13 HIS H H 13 8.476 8.476 8.442 0.034 26040 841 1 20 . 1 1 14 14 GLU HA H 14 3.979 3.979 3.813 0.166 26040 842 1 20 . 1 1 14 14 GLU H H 14 8.395 8.395 8.032 0.363 26040 843 1 20 . 1 1 15 15 ALA HA H 15 3.999 3.999 4.075 -0.076 26040 844 1 20 . 1 1 15 15 ALA H H 15 7.816 7.816 8.004 -0.188 26040 845 1 20 . 1 1 16 16 ILE HA H 16 3.635 3.635 3.595 0.040 26040 846 1 20 . 1 1 16 16 ILE H H 16 8.140 8.140 8.146 -0.006 26040 847 1 20 . 1 1 17 17 LYS HA H 17 4.157 4.157 3.931 0.226 26040 848 1 20 . 1 1 17 17 LYS H H 17 7.767 7.767 7.888 -0.121 26040 849 1 20 . 1 1 18 18 LEU HA H 18 3.751 3.751 4.026 -0.275 26040 850 1 20 . 1 1 18 18 LEU H H 18 7.827 7.827 7.876 -0.049 26040 851 1 20 . 1 1 19 19 ILE HA H 19 3.740 3.740 3.614 0.126 26040 852 1 20 . 1 1 19 19 ILE H H 19 8.058 8.058 8.227 -0.169 26040 853 1 20 . 1 1 20 20 ASN HA H 20 4.527 4.527 4.443 0.084 26040 854 1 20 . 1 1 20 20 ASN H H 20 8.436 8.436 8.623 -0.187 26040 855 1 20 . 1 1 21 21 ASN HA H 21 4.603 4.603 4.715 -0.112 26040 856 1 20 . 1 1 21 21 ASN H H 21 8.064 8.064 8.301 -0.237 26040 857 1 20 . 1 1 22 22 HIS HA H 22 4.322 4.322 4.335 -0.013 26040 858 1 20 . 1 1 22 22 HIS H H 22 7.748 7.748 8.388 -0.640 26040 859 1 20 . 1 1 23 23 VAL HA H 23 4.092 4.092 3.891 0.201 26040 860 1 20 . 1 1 23 23 VAL H H 23 7.573 7.573 8.028 -0.455 26040 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 26040 2 1 1 "Average Difference" HA 22 0.184 0.013 0.188 26040 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 26040 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 26040 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 26040 6 1 1 "Average Difference" HN 21 0.436 0.034 0.445 26040 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 26040 8 1 2 "Average Difference" HA 22 0.213 -0.027 0.216 26040 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 26040 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 26040 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 26040 12 1 2 "Average Difference" HN 21 0.445 0.011 0.456 26040 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 26040 14 1 3 "Average Difference" HA 22 0.182 0.024 0.185 26040 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 26040 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 26040 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 26040 18 1 3 "Average Difference" HN 21 0.461 0.073 0.467 26040 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 26040 20 1 4 "Average Difference" HA 22 0.180 0.006 0.184 26040 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 26040 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 26040 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 26040 24 1 4 "Average Difference" HN 21 0.457 0.058 0.464 26040 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 26040 26 1 5 "Average Difference" HA 22 0.172 0.011 0.175 26040 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 26040 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 26040 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 26040 30 1 5 "Average Difference" HN 21 0.440 0.063 0.446 26040 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 26040 32 1 6 "Average Difference" HA 22 0.187 -0.018 0.191 26040 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 26040 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 26040 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 26040 36 1 6 "Average Difference" HN 21 0.458 0.058 0.466 26040 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 26040 38 1 7 "Average Difference" HA 22 0.176 0.012 0.179 26040 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 26040 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 26040 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 26040 42 1 7 "Average Difference" HN 21 0.446 0.049 0.454 26040 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 26040 44 1 8 "Average Difference" HA 22 0.163 0.006 0.167 26040 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 26040 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 26040 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 26040 48 1 8 "Average Difference" HN 21 0.421 0.022 0.431 26040 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 26040 50 1 9 "Average Difference" HA 22 0.212 -0.019 0.217 26040 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 26040 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 26040 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 26040 54 1 9 "Average Difference" HN 21 0.488 0.070 0.495 26040 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 26040 56 1 10 "Average Difference" HA 22 0.176 0.003 0.180 26040 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 26040 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 26040 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 26040 60 1 10 "Average Difference" HN 21 0.492 0.099 0.494 26040 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 26040 62 1 11 "Average Difference" HA 22 0.212 -0.007 0.216 26040 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 26040 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 26040 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 26040 66 1 11 "Average Difference" HN 21 0.453 0.025 0.464 26040 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 26040 68 1 12 "Average Difference" HA 22 0.168 -0.012 0.171 26040 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 26040 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 26040 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 26040 72 1 12 "Average Difference" HN 21 0.415 0.036 0.423 26040 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 26040 74 1 13 "Average Difference" HA 22 0.213 0.008 0.218 26040 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 26040 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 26040 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 26040 78 1 13 "Average Difference" HN 21 0.413 0.023 0.423 26040 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 26040 80 1 14 "Average Difference" HA 22 0.159 -0.002 0.162 26040 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 26040 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 26040 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 26040 84 1 14 "Average Difference" HN 21 0.407 0.106 0.403 26040 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 26040 86 1 15 "Average Difference" HA 22 0.203 -0.004 0.208 26040 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 26040 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 26040 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 26040 90 1 15 "Average Difference" HN 21 0.511 0.088 0.516 26040 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 26040 92 1 16 "Average Difference" HA 22 0.196 -0.001 0.200 26040 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 26040 94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 26040 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 26040 96 1 16 "Average Difference" HN 21 0.435 0.022 0.445 26040 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 26040 98 1 17 "Average Difference" HA 22 0.180 0.026 0.182 26040 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 26040 100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 26040 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 26040 102 1 17 "Average Difference" HN 21 0.418 0.049 0.425 26040 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 26040 104 1 18 "Average Difference" HA 22 0.176 0.026 0.178 26040 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 26040 106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 26040 107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 26040 108 1 18 "Average Difference" HN 21 0.474 0.037 0.484 26040 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 26040 110 1 19 "Average Difference" HA 22 0.209 0.025 0.212 26040 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 26040 112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 26040 113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 26040 114 1 19 "Average Difference" HN 21 0.370 0.040 0.377 26040 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 26040 116 1 20 "Average Difference" HA 22 0.174 0.003 0.178 26040 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 26040 118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 26040 119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 26040 120 1 20 "Average Difference" HN 21 0.428 0.058 0.435 26040 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 26040 _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 LEU HA H 2 4.163 4.163 4.450 -0.287 26040 2 1 . 1 1 2 2 LEU H H 2 9.299 9.299 7.906 1.393 26040 3 1 . 1 1 3 3 ASN HA H 3 4.344 4.344 4.311 0.033 26040 4 1 . 1 1 3 3 ASN H H 3 8.767 8.767 8.949 -0.182 26040 5 1 . 1 1 4 4 ALA HA H 4 4.154 4.154 4.146 0.008 26040 6 1 . 1 1 4 4 ALA H H 4 8.288 8.288 8.303 -0.015 26040 7 1 . 1 1 5 5 LEU HA H 5 4.080 4.080 3.996 0.083 26040 8 1 . 1 1 5 5 LEU H H 5 7.831 7.831 7.531 0.300 26040 9 1 . 1 1 6 6 LYS HA H 6 4.041 4.041 4.128 -0.087 26040 10 1 . 1 1 6 6 LYS H H 6 8.200 8.200 8.246 -0.046 26040 11 1 . 1 1 7 7 LYS HA H 7 3.986 3.986 4.257 -0.271 26040 12 1 . 1 1 7 7 LYS H H 7 7.666 7.666 7.969 -0.303 26040 13 1 . 1 1 8 8 VAL HA H 8 4.179 4.179 4.251 -0.072 26040 14 1 . 1 1 8 8 VAL H H 8 7.933 7.933 7.956 -0.023 26040 15 1 . 1 1 9 9 PHE HA H 9 4.643 4.643 4.412 0.231 26040 16 1 . 1 1 9 9 PHE H H 9 8.183 8.183 8.081 0.102 26040 17 1 . 1 1 10 10 GLN HA H 10 4.165 4.165 4.175 -0.010 26040 18 1 . 1 1 10 10 GLN H H 10 8.033 8.033 8.093 -0.060 26040 19 1 . 1 1 11 11 PRO HA H 11 4.643 4.643 4.448 0.195 26040 20 1 . 1 1 12 12 ILE HA H 12 3.716 3.716 4.039 -0.323 26040 21 1 . 1 1 12 12 ILE H H 12 7.427 7.427 8.269 -0.842 26040 22 1 . 1 1 13 13 HIS HA H 13 4.369 4.369 4.118 0.251 26040 23 1 . 1 1 13 13 HIS H H 13 8.476 8.476 8.426 0.050 26040 24 1 . 1 1 14 14 GLU HA H 14 3.979 3.979 3.944 0.035 26040 25 1 . 1 1 14 14 GLU H H 14 8.395 8.395 7.940 0.455 26040 26 1 . 1 1 15 15 ALA HA H 15 3.999 3.999 4.089 -0.090 26040 27 1 . 1 1 15 15 ALA H H 15 7.816 7.816 7.824 -0.008 26040 28 1 . 1 1 16 16 ILE HA H 16 3.635 3.635 3.541 0.094 26040 29 1 . 1 1 16 16 ILE H H 16 8.140 8.140 8.155 -0.015 26040 30 1 . 1 1 17 17 LYS HA H 17 4.157 4.157 3.998 0.159 26040 31 1 . 1 1 17 17 LYS H H 17 7.767 7.767 7.993 -0.226 26040 32 1 . 1 1 18 18 LEU HA H 18 3.751 3.751 4.028 -0.277 26040 33 1 . 1 1 18 18 LEU H H 18 7.827 7.827 7.970 -0.143 26040 34 1 . 1 1 19 19 ILE HA H 19 3.740 3.740 3.659 0.081 26040 35 1 . 1 1 19 19 ILE H H 19 8.058 8.058 8.242 -0.184 26040 36 1 . 1 1 20 20 ASN HA H 20 4.527 4.527 4.424 0.103 26040 37 1 . 1 1 20 20 ASN H H 20 8.436 8.436 8.555 -0.119 26040 38 1 . 1 1 21 21 ASN HA H 21 4.603 4.603 4.671 -0.068 26040 39 1 . 1 1 21 21 ASN H H 21 8.064 8.064 8.270 -0.206 26040 40 1 . 1 1 22 22 HIS HA H 22 4.322 4.322 4.460 -0.138 26040 41 1 . 1 1 22 22 HIS H H 22 7.748 7.748 8.130 -0.382 26040 42 1 . 1 1 23 23 VAL HA H 23 4.092 4.092 3.821 0.271 26040 43 1 . 1 1 23 23 VAL H H 23 7.573 7.573 8.192 -0.619 26040 stop_ save_