data_25523 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25523 _Entry.PDB_ID 2N0F 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 25523 _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 4.812 4.812 4.795 0.017 25523 2 1 1 . 1 1 2 2 ASN CA C 2 54.129 54.129 52.836 1.293 25523 3 1 1 . 1 1 2 2 ASN CB C 2 39.951 39.951 39.314 0.637 25523 4 1 1 . 1 1 3 3 HIS N N 3 120.049 120.049 119.732 0.317 25523 5 1 1 . 1 1 3 3 HIS HA H 3 4.487 4.487 4.477 0.010 25523 6 1 1 . 1 1 3 3 HIS CA C 3 58.720 58.720 56.479 2.241 25523 7 1 1 . 1 1 3 3 HIS CB C 3 30.895 30.895 30.548 0.347 25523 8 1 1 . 1 1 3 3 HIS H H 3 8.419 8.419 7.960 0.459 25523 9 1 1 . 1 1 4 4 TRP N N 4 121.004 121.004 119.093 1.911 25523 10 1 1 . 1 1 4 4 TRP HA H 4 4.525 4.525 4.520 0.005 25523 11 1 1 . 1 1 4 4 TRP CA C 4 59.937 59.937 58.879 1.058 25523 12 1 1 . 1 1 4 4 TRP CB C 4 30.273 30.273 28.732 1.541 25523 13 1 1 . 1 1 4 4 TRP H H 4 7.918 7.918 8.591 -0.673 25523 14 1 1 . 1 1 5 5 ALA N N 5 123.774 123.774 122.246 1.528 25523 15 1 1 . 1 1 5 5 ALA HA H 5 4.198 4.198 3.492 0.706 25523 16 1 1 . 1 1 5 5 ALA CA C 5 55.160 55.160 53.555 1.605 25523 17 1 1 . 1 1 5 5 ALA CB C 5 19.363 19.363 17.454 1.909 25523 18 1 1 . 1 1 5 5 ALA H H 5 8.151 8.151 7.342 0.809 25523 19 1 1 . 1 1 6 6 VAL N N 6 117.022 117.022 116.336 0.686 25523 20 1 1 . 1 1 6 6 VAL HA H 6 3.865 3.865 3.683 0.182 25523 21 1 1 . 1 1 6 6 VAL CA C 6 65.755 65.755 64.887 0.868 25523 22 1 1 . 1 1 6 6 VAL CB C 6 33.183 33.183 31.089 2.094 25523 23 1 1 . 1 1 6 6 VAL H H 6 7.683 7.683 7.517 0.166 25523 24 1 1 . 1 1 7 7 GLY N N 7 107.885 107.885 107.632 0.253 25523 25 1 1 . 1 1 7 7 GLY CA C 7 47.040 47.040 46.519 0.521 25523 26 1 1 . 1 1 7 7 GLY H H 7 8.163 8.163 7.790 0.373 25523 27 1 1 . 1 1 8 8 HIS N N 8 116.927 116.927 120.074 -3.147 25523 28 1 1 . 1 1 8 8 HIS HA H 8 4.537 4.537 4.408 0.129 25523 29 1 1 . 1 1 8 8 HIS CA C 8 58.323 58.323 58.042 0.281 25523 30 1 1 . 1 1 8 8 HIS CB C 8 29.984 29.984 30.368 -0.384 25523 31 1 1 . 1 1 8 8 HIS H H 8 7.918 7.918 7.834 0.084 25523 32 1 1 . 1 1 9 9 LEU N N 9 121.038 121.038 119.164 1.874 25523 33 1 1 . 1 1 9 9 LEU HA H 9 4.314 4.314 4.045 0.269 25523 34 1 1 . 1 1 9 9 LEU CA C 9 57.346 57.346 56.888 0.458 25523 35 1 1 . 1 1 9 9 LEU CB C 9 43.478 43.478 42.292 1.185 25523 36 1 1 . 1 1 9 9 LEU H H 9 8.040 8.040 7.858 0.182 25523 37 1 2 . 1 1 2 2 ASN HA H 2 4.812 4.812 4.365 0.447 25523 38 1 2 . 1 1 2 2 ASN CA C 2 54.129 54.129 53.942 0.187 25523 39 1 2 . 1 1 2 2 ASN CB C 2 39.951 39.951 38.296 1.655 25523 40 1 2 . 1 1 3 3 HIS N N 3 120.049 120.049 116.014 4.035 25523 41 1 2 . 1 1 3 3 HIS HA H 3 4.487 4.487 4.421 0.066 25523 42 1 2 . 1 1 3 3 HIS CA C 3 58.720 58.720 56.419 2.301 25523 43 1 2 . 1 1 3 3 HIS CB C 3 30.895 30.895 30.371 0.524 25523 44 1 2 . 1 1 3 3 HIS H H 3 8.419 8.419 8.179 0.240 25523 45 1 2 . 1 1 4 4 TRP N N 4 121.004 121.004 118.732 2.272 25523 46 1 2 . 1 1 4 4 TRP HA H 4 4.525 4.525 4.540 -0.015 25523 47 1 2 . 1 1 4 4 TRP CA C 4 59.937 59.937 58.669 1.268 25523 48 1 2 . 1 1 4 4 TRP CB C 4 30.273 30.273 28.869 1.404 25523 49 1 2 . 1 1 4 4 TRP H H 4 7.918 7.918 8.499 -0.581 25523 50 1 2 . 1 1 5 5 ALA N N 5 123.774 123.774 122.335 1.439 25523 51 1 2 . 1 1 5 5 ALA HA H 5 4.198 4.198 3.502 0.696 25523 52 1 2 . 1 1 5 5 ALA CA C 5 55.160 55.160 53.800 1.360 25523 53 1 2 . 1 1 5 5 ALA CB C 5 19.363 19.363 17.385 1.978 25523 54 1 2 . 1 1 5 5 ALA H H 5 8.151 8.151 7.476 0.675 25523 55 1 2 . 1 1 6 6 VAL N N 6 117.022 117.022 116.339 0.683 25523 56 1 2 . 1 1 6 6 VAL HA H 6 3.865 3.865 3.670 0.195 25523 57 1 2 . 1 1 6 6 VAL CA C 6 65.755 65.755 64.984 0.771 25523 58 1 2 . 1 1 6 6 VAL CB C 6 33.183 33.183 31.076 2.107 25523 59 1 2 . 1 1 6 6 VAL H H 6 7.683 7.683 7.534 0.149 25523 60 1 2 . 1 1 7 7 GLY N N 7 107.885 107.885 107.585 0.300 25523 61 1 2 . 1 1 7 7 GLY CA C 7 47.040 47.040 46.553 0.487 25523 62 1 2 . 1 1 7 7 GLY H H 7 8.163 8.163 7.789 0.374 25523 63 1 2 . 1 1 8 8 HIS N N 8 116.927 116.927 119.983 -3.056 25523 64 1 2 . 1 1 8 8 HIS HA H 8 4.537 4.537 4.424 0.113 25523 65 1 2 . 1 1 8 8 HIS CA C 8 58.323 58.323 58.096 0.227 25523 66 1 2 . 1 1 8 8 HIS CB C 8 29.984 29.984 30.460 -0.477 25523 67 1 2 . 1 1 8 8 HIS H H 8 7.918 7.918 7.834 0.084 25523 68 1 2 . 1 1 9 9 LEU N N 9 121.038 121.038 119.156 1.882 25523 69 1 2 . 1 1 9 9 LEU HA H 9 4.314 4.314 4.114 0.200 25523 70 1 2 . 1 1 9 9 LEU CA C 9 57.346 57.346 56.752 0.594 25523 71 1 2 . 1 1 9 9 LEU CB C 9 43.478 43.478 42.353 1.125 25523 72 1 2 . 1 1 9 9 LEU H H 9 8.040 8.040 7.856 0.184 25523 73 1 3 . 1 1 2 2 ASN HA H 2 4.812 4.812 4.964 -0.152 25523 74 1 3 . 1 1 2 2 ASN CA C 2 54.129 54.129 52.751 1.378 25523 75 1 3 . 1 1 2 2 ASN CB C 2 39.951 39.951 38.673 1.278 25523 76 1 3 . 1 1 3 3 HIS N N 3 120.049 120.049 120.008 0.041 25523 77 1 3 . 1 1 3 3 HIS HA H 3 4.487 4.487 4.482 0.005 25523 78 1 3 . 1 1 3 3 HIS CA C 3 58.720 58.720 56.248 2.471 25523 79 1 3 . 1 1 3 3 HIS CB C 3 30.895 30.895 30.619 0.277 25523 80 1 3 . 1 1 3 3 HIS H H 3 8.419 8.419 8.195 0.224 25523 81 1 3 . 1 1 4 4 TRP N N 4 121.004 121.004 118.709 2.295 25523 82 1 3 . 1 1 4 4 TRP HA H 4 4.525 4.525 4.547 -0.022 25523 83 1 3 . 1 1 4 4 TRP CA C 4 59.937 59.937 58.572 1.365 25523 84 1 3 . 1 1 4 4 TRP CB C 4 30.273 30.273 28.895 1.378 25523 85 1 3 . 1 1 4 4 TRP H H 4 7.918 7.918 8.484 -0.566 25523 86 1 3 . 1 1 5 5 ALA N N 5 123.774 123.774 122.346 1.428 25523 87 1 3 . 1 1 5 5 ALA HA H 5 4.198 4.198 3.504 0.694 25523 88 1 3 . 1 1 5 5 ALA CA C 5 55.160 55.160 53.786 1.374 25523 89 1 3 . 1 1 5 5 ALA CB C 5 19.363 19.363 17.397 1.966 25523 90 1 3 . 1 1 5 5 ALA H H 5 8.151 8.151 7.477 0.674 25523 91 1 3 . 1 1 6 6 VAL N N 6 117.022 117.022 116.289 0.733 25523 92 1 3 . 1 1 6 6 VAL HA H 6 3.865 3.865 3.669 0.196 25523 93 1 3 . 1 1 6 6 VAL CA C 6 65.755 65.755 64.959 0.796 25523 94 1 3 . 1 1 6 6 VAL CB C 6 33.183 33.183 31.070 2.113 25523 95 1 3 . 1 1 6 6 VAL H H 6 7.683 7.683 7.537 0.146 25523 96 1 3 . 1 1 7 7 GLY N N 7 107.885 107.885 107.629 0.256 25523 97 1 3 . 1 1 7 7 GLY CA C 7 47.040 47.040 46.529 0.511 25523 98 1 3 . 1 1 7 7 GLY H H 7 8.163 8.163 7.779 0.384 25523 99 1 3 . 1 1 8 8 HIS N N 8 116.927 116.927 120.060 -3.133 25523 100 1 3 . 1 1 8 8 HIS HA H 8 4.537 4.537 4.414 0.123 25523 101 1 3 . 1 1 8 8 HIS CA C 8 58.323 58.323 58.065 0.258 25523 102 1 3 . 1 1 8 8 HIS CB C 8 29.984 29.984 30.366 -0.382 25523 103 1 3 . 1 1 8 8 HIS H H 8 7.918 7.918 7.835 0.083 25523 104 1 3 . 1 1 9 9 LEU N N 9 121.038 121.038 119.306 1.732 25523 105 1 3 . 1 1 9 9 LEU HA H 9 4.314 4.314 4.073 0.241 25523 106 1 3 . 1 1 9 9 LEU CA C 9 57.346 57.346 56.908 0.438 25523 107 1 3 . 1 1 9 9 LEU CB C 9 43.478 43.478 42.332 1.146 25523 108 1 3 . 1 1 9 9 LEU H H 9 8.040 8.040 7.869 0.171 25523 109 1 4 . 1 1 2 2 ASN HA H 2 4.812 4.812 4.747 0.065 25523 110 1 4 . 1 1 2 2 ASN CA C 2 54.129 54.129 52.435 1.694 25523 111 1 4 . 1 1 2 2 ASN CB C 2 39.951 39.951 38.879 1.072 25523 112 1 4 . 1 1 3 3 HIS N N 3 120.049 120.049 119.132 0.917 25523 113 1 4 . 1 1 3 3 HIS HA H 3 4.487 4.487 4.492 -0.005 25523 114 1 4 . 1 1 3 3 HIS CA C 3 58.720 58.720 55.587 3.134 25523 115 1 4 . 1 1 3 3 HIS CB C 3 30.895 30.895 30.537 0.358 25523 116 1 4 . 1 1 3 3 HIS H H 3 8.419 8.419 7.793 0.626 25523 117 1 4 . 1 1 4 4 TRP N N 4 121.004 121.004 119.011 1.993 25523 118 1 4 . 1 1 4 4 TRP HA H 4 4.525 4.525 4.525 -0.000 25523 119 1 4 . 1 1 4 4 TRP CA C 4 59.937 59.937 58.793 1.144 25523 120 1 4 . 1 1 4 4 TRP CB C 4 30.273 30.273 28.754 1.519 25523 121 1 4 . 1 1 4 4 TRP H H 4 7.918 7.918 8.555 -0.637 25523 122 1 4 . 1 1 5 5 ALA N N 5 123.774 123.774 122.270 1.504 25523 123 1 4 . 1 1 5 5 ALA HA H 5 4.198 4.198 3.488 0.710 25523 124 1 4 . 1 1 5 5 ALA CA C 5 55.160 55.160 53.614 1.546 25523 125 1 4 . 1 1 5 5 ALA CB C 5 19.363 19.363 17.423 1.940 25523 126 1 4 . 1 1 5 5 ALA H H 5 8.151 8.151 7.357 0.794 25523 127 1 4 . 1 1 6 6 VAL N N 6 117.022 117.022 116.382 0.640 25523 128 1 4 . 1 1 6 6 VAL HA H 6 3.865 3.865 3.683 0.182 25523 129 1 4 . 1 1 6 6 VAL CA C 6 65.755 65.755 64.913 0.842 25523 130 1 4 . 1 1 6 6 VAL CB C 6 33.183 33.183 31.078 2.105 25523 131 1 4 . 1 1 6 6 VAL H H 6 7.683 7.683 7.528 0.155 25523 132 1 4 . 1 1 7 7 GLY N N 7 107.885 107.885 107.616 0.269 25523 133 1 4 . 1 1 7 7 GLY CA C 7 47.040 47.040 46.516 0.524 25523 134 1 4 . 1 1 7 7 GLY H H 7 8.163 8.163 7.784 0.379 25523 135 1 4 . 1 1 8 8 HIS N N 8 116.927 116.927 120.052 -3.125 25523 136 1 4 . 1 1 8 8 HIS HA H 8 4.537 4.537 4.411 0.126 25523 137 1 4 . 1 1 8 8 HIS CA C 8 58.323 58.323 57.999 0.324 25523 138 1 4 . 1 1 8 8 HIS CB C 8 29.984 29.984 30.358 -0.374 25523 139 1 4 . 1 1 8 8 HIS H H 8 7.918 7.918 7.829 0.089 25523 140 1 4 . 1 1 9 9 LEU N N 9 121.038 121.038 119.428 1.610 25523 141 1 4 . 1 1 9 9 LEU HA H 9 4.314 4.314 4.050 0.264 25523 142 1 4 . 1 1 9 9 LEU CA C 9 57.346 57.346 56.981 0.365 25523 143 1 4 . 1 1 9 9 LEU CB C 9 43.478 43.478 42.317 1.161 25523 144 1 4 . 1 1 9 9 LEU H H 9 8.040 8.040 7.921 0.119 25523 145 1 5 . 1 1 2 2 ASN HA H 2 4.812 4.812 4.802 0.010 25523 146 1 5 . 1 1 2 2 ASN CA C 2 54.129 54.129 52.731 1.398 25523 147 1 5 . 1 1 2 2 ASN CB C 2 39.951 39.951 38.561 1.390 25523 148 1 5 . 1 1 3 3 HIS N N 3 120.049 120.049 121.103 -1.054 25523 149 1 5 . 1 1 3 3 HIS HA H 3 4.487 4.487 4.479 0.008 25523 150 1 5 . 1 1 3 3 HIS CA C 3 58.720 58.720 56.974 1.746 25523 151 1 5 . 1 1 3 3 HIS CB C 3 30.895 30.895 30.653 0.242 25523 152 1 5 . 1 1 3 3 HIS H H 3 8.419 8.419 7.914 0.505 25523 153 1 5 . 1 1 4 4 TRP N N 4 121.004 121.004 119.053 1.951 25523 154 1 5 . 1 1 4 4 TRP HA H 4 4.525 4.525 4.504 0.021 25523 155 1 5 . 1 1 4 4 TRP CA C 4 59.937 59.937 59.025 0.912 25523 156 1 5 . 1 1 4 4 TRP CB C 4 30.273 30.273 28.701 1.572 25523 157 1 5 . 1 1 4 4 TRP H H 4 7.918 7.918 8.589 -0.671 25523 158 1 5 . 1 1 5 5 ALA N N 5 123.774 123.774 122.210 1.564 25523 159 1 5 . 1 1 5 5 ALA HA H 5 4.198 4.198 3.490 0.708 25523 160 1 5 . 1 1 5 5 ALA CA C 5 55.160 55.160 53.546 1.614 25523 161 1 5 . 1 1 5 5 ALA CB C 5 19.363 19.363 17.450 1.913 25523 162 1 5 . 1 1 5 5 ALA H H 5 8.151 8.151 7.337 0.814 25523 163 1 5 . 1 1 6 6 VAL N N 6 117.022 117.022 116.259 0.763 25523 164 1 5 . 1 1 6 6 VAL HA H 6 3.865 3.865 3.681 0.184 25523 165 1 5 . 1 1 6 6 VAL CA C 6 65.755 65.755 64.882 0.873 25523 166 1 5 . 1 1 6 6 VAL CB C 6 33.183 33.183 31.094 2.089 25523 167 1 5 . 1 1 6 6 VAL H H 6 7.683 7.683 7.510 0.173 25523 168 1 5 . 1 1 7 7 GLY N N 7 107.885 107.885 107.615 0.270 25523 169 1 5 . 1 1 7 7 GLY CA C 7 47.040 47.040 46.505 0.535 25523 170 1 5 . 1 1 7 7 GLY H H 7 8.163 8.163 7.789 0.374 25523 171 1 5 . 1 1 8 8 HIS N N 8 116.927 116.927 120.622 -3.695 25523 172 1 5 . 1 1 8 8 HIS HA H 8 4.537 4.537 4.404 0.133 25523 173 1 5 . 1 1 8 8 HIS CA C 8 58.323 58.323 57.946 0.377 25523 174 1 5 . 1 1 8 8 HIS CB C 8 29.984 29.984 30.395 -0.411 25523 175 1 5 . 1 1 8 8 HIS H H 8 7.918 7.918 7.819 0.099 25523 176 1 5 . 1 1 9 9 LEU N N 9 121.038 121.038 118.628 2.410 25523 177 1 5 . 1 1 9 9 LEU HA H 9 4.314 4.314 4.032 0.282 25523 178 1 5 . 1 1 9 9 LEU CA C 9 57.346 57.346 56.870 0.476 25523 179 1 5 . 1 1 9 9 LEU CB C 9 43.478 43.478 42.233 1.245 25523 180 1 5 . 1 1 9 9 LEU H H 9 8.040 8.040 7.884 0.156 25523 181 1 6 . 1 1 2 2 ASN HA H 2 4.812 4.812 4.831 -0.019 25523 182 1 6 . 1 1 2 2 ASN CA C 2 54.129 54.129 52.920 1.209 25523 183 1 6 . 1 1 2 2 ASN CB C 2 39.951 39.951 39.372 0.579 25523 184 1 6 . 1 1 3 3 HIS N N 3 120.049 120.049 119.827 0.222 25523 185 1 6 . 1 1 3 3 HIS HA H 3 4.487 4.487 4.488 -0.001 25523 186 1 6 . 1 1 3 3 HIS CA C 3 58.720 58.720 56.506 2.214 25523 187 1 6 . 1 1 3 3 HIS CB C 3 30.895 30.895 30.706 0.189 25523 188 1 6 . 1 1 3 3 HIS H H 3 8.419 8.419 8.494 -0.075 25523 189 1 6 . 1 1 4 4 TRP N N 4 121.004 121.004 119.034 1.970 25523 190 1 6 . 1 1 4 4 TRP HA H 4 4.525 4.525 4.518 0.007 25523 191 1 6 . 1 1 4 4 TRP CA C 4 59.937 59.937 58.886 1.051 25523 192 1 6 . 1 1 4 4 TRP CB C 4 30.273 30.273 28.740 1.533 25523 193 1 6 . 1 1 4 4 TRP H H 4 7.918 7.918 8.601 -0.683 25523 194 1 6 . 1 1 5 5 ALA N N 5 123.774 123.774 122.190 1.584 25523 195 1 6 . 1 1 5 5 ALA HA H 5 4.198 4.198 3.491 0.707 25523 196 1 6 . 1 1 5 5 ALA CA C 5 55.160 55.160 53.559 1.601 25523 197 1 6 . 1 1 5 5 ALA CB C 5 19.363 19.363 17.460 1.903 25523 198 1 6 . 1 1 5 5 ALA H H 5 8.151 8.151 7.341 0.810 25523 199 1 6 . 1 1 6 6 VAL N N 6 117.022 117.022 116.328 0.694 25523 200 1 6 . 1 1 6 6 VAL HA H 6 3.865 3.865 3.681 0.184 25523 201 1 6 . 1 1 6 6 VAL CA C 6 65.755 65.755 64.905 0.850 25523 202 1 6 . 1 1 6 6 VAL CB C 6 33.183 33.183 31.091 2.092 25523 203 1 6 . 1 1 6 6 VAL H H 6 7.683 7.683 7.518 0.165 25523 204 1 6 . 1 1 7 7 GLY N N 7 107.885 107.885 107.617 0.268 25523 205 1 6 . 1 1 7 7 GLY CA C 7 47.040 47.040 46.502 0.538 25523 206 1 6 . 1 1 7 7 GLY H H 7 8.163 8.163 7.782 0.381 25523 207 1 6 . 1 1 8 8 HIS N N 8 116.927 116.927 120.075 -3.148 25523 208 1 6 . 1 1 8 8 HIS HA H 8 4.537 4.537 4.399 0.138 25523 209 1 6 . 1 1 8 8 HIS CA C 8 58.323 58.323 57.995 0.328 25523 210 1 6 . 1 1 8 8 HIS CB C 8 29.984 29.984 30.338 -0.354 25523 211 1 6 . 1 1 8 8 HIS H H 8 7.918 7.918 7.830 0.088 25523 212 1 6 . 1 1 9 9 LEU N N 9 121.038 121.038 119.460 1.578 25523 213 1 6 . 1 1 9 9 LEU HA H 9 4.314 4.314 4.051 0.263 25523 214 1 6 . 1 1 9 9 LEU CA C 9 57.346 57.346 56.907 0.439 25523 215 1 6 . 1 1 9 9 LEU CB C 9 43.478 43.478 42.250 1.228 25523 216 1 6 . 1 1 9 9 LEU H H 9 8.040 8.040 7.881 0.159 25523 217 1 7 . 1 1 2 2 ASN HA H 2 4.812 4.812 5.375 -0.563 25523 218 1 7 . 1 1 2 2 ASN CA C 2 54.129 54.129 52.512 1.617 25523 219 1 7 . 1 1 2 2 ASN CB C 2 39.951 39.951 40.864 -0.913 25523 220 1 7 . 1 1 3 3 HIS N N 3 120.049 120.049 118.871 1.178 25523 221 1 7 . 1 1 3 3 HIS HA H 3 4.487 4.487 4.812 -0.325 25523 222 1 7 . 1 1 3 3 HIS CA C 3 58.720 58.720 55.456 3.264 25523 223 1 7 . 1 1 3 3 HIS CB C 3 30.895 30.895 32.182 -1.287 25523 224 1 7 . 1 1 3 3 HIS H H 3 8.419 8.419 8.601 -0.182 25523 225 1 7 . 1 1 4 4 TRP N N 4 121.004 121.004 119.425 1.579 25523 226 1 7 . 1 1 4 4 TRP HA H 4 4.525 4.525 4.735 -0.210 25523 227 1 7 . 1 1 4 4 TRP CA C 4 59.937 59.937 58.240 1.697 25523 228 1 7 . 1 1 4 4 TRP CB C 4 30.273 30.273 29.406 0.867 25523 229 1 7 . 1 1 4 4 TRP H H 4 7.918 7.918 8.649 -0.731 25523 230 1 7 . 1 1 5 5 ALA N N 5 123.774 123.774 122.497 1.277 25523 231 1 7 . 1 1 5 5 ALA HA H 5 4.198 4.198 3.502 0.696 25523 232 1 7 . 1 1 5 5 ALA CA C 5 55.160 55.160 53.740 1.420 25523 233 1 7 . 1 1 5 5 ALA CB C 5 19.363 19.363 17.407 1.956 25523 234 1 7 . 1 1 5 5 ALA H H 5 8.151 8.151 7.460 0.691 25523 235 1 7 . 1 1 6 6 VAL N N 6 117.022 117.022 115.980 1.042 25523 236 1 7 . 1 1 6 6 VAL HA H 6 3.865 3.865 3.668 0.197 25523 237 1 7 . 1 1 6 6 VAL CA C 6 65.755 65.755 64.877 0.878 25523 238 1 7 . 1 1 6 6 VAL CB C 6 33.183 33.183 31.090 2.093 25523 239 1 7 . 1 1 6 6 VAL H H 6 7.683 7.683 7.508 0.175 25523 240 1 7 . 1 1 7 7 GLY N N 7 107.885 107.885 107.743 0.142 25523 241 1 7 . 1 1 7 7 GLY CA C 7 47.040 47.040 46.432 0.608 25523 242 1 7 . 1 1 7 7 GLY H H 7 8.163 8.163 7.841 0.322 25523 243 1 7 . 1 1 8 8 HIS N N 8 116.927 116.927 121.029 -4.102 25523 244 1 7 . 1 1 8 8 HIS HA H 8 4.537 4.537 4.298 0.239 25523 245 1 7 . 1 1 8 8 HIS CA C 8 58.323 58.323 58.180 0.143 25523 246 1 7 . 1 1 8 8 HIS CB C 8 29.984 29.984 30.151 -0.167 25523 247 1 7 . 1 1 8 8 HIS H H 8 7.918 7.918 7.936 -0.018 25523 248 1 7 . 1 1 9 9 LEU N N 9 121.038 121.038 118.064 2.974 25523 249 1 7 . 1 1 9 9 LEU HA H 9 4.314 4.314 4.038 0.276 25523 250 1 7 . 1 1 9 9 LEU CA C 9 57.346 57.346 56.793 0.553 25523 251 1 7 . 1 1 9 9 LEU CB C 9 43.478 43.478 42.349 1.129 25523 252 1 7 . 1 1 9 9 LEU H H 9 8.040 8.040 7.925 0.115 25523 253 1 8 . 1 1 2 2 ASN HA H 2 4.812 4.812 4.960 -0.148 25523 254 1 8 . 1 1 2 2 ASN CA C 2 54.129 54.129 53.241 0.888 25523 255 1 8 . 1 1 2 2 ASN CB C 2 39.951 39.951 40.236 -0.285 25523 256 1 8 . 1 1 3 3 HIS N N 3 120.049 120.049 116.269 3.780 25523 257 1 8 . 1 1 3 3 HIS HA H 3 4.487 4.487 4.673 -0.186 25523 258 1 8 . 1 1 3 3 HIS CA C 3 58.720 58.720 55.188 3.532 25523 259 1 8 . 1 1 3 3 HIS CB C 3 30.895 30.895 31.482 -0.587 25523 260 1 8 . 1 1 3 3 HIS H H 3 8.419 8.419 7.882 0.537 25523 261 1 8 . 1 1 4 4 TRP N N 4 121.004 121.004 119.722 1.282 25523 262 1 8 . 1 1 4 4 TRP HA H 4 4.525 4.525 4.738 -0.213 25523 263 1 8 . 1 1 4 4 TRP CA C 4 59.937 59.937 58.229 1.708 25523 264 1 8 . 1 1 4 4 TRP CB C 4 30.273 30.273 29.343 0.930 25523 265 1 8 . 1 1 4 4 TRP H H 4 7.918 7.918 8.698 -0.780 25523 266 1 8 . 1 1 5 5 ALA N N 5 123.774 123.774 122.506 1.268 25523 267 1 8 . 1 1 5 5 ALA HA H 5 4.198 4.198 3.498 0.700 25523 268 1 8 . 1 1 5 5 ALA CA C 5 55.160 55.160 53.709 1.451 25523 269 1 8 . 1 1 5 5 ALA CB C 5 19.363 19.363 17.453 1.910 25523 270 1 8 . 1 1 5 5 ALA H H 5 8.151 8.151 7.451 0.700 25523 271 1 8 . 1 1 6 6 VAL N N 6 117.022 117.022 116.034 0.988 25523 272 1 8 . 1 1 6 6 VAL HA H 6 3.865 3.865 3.700 0.165 25523 273 1 8 . 1 1 6 6 VAL CA C 6 65.755 65.755 65.007 0.748 25523 274 1 8 . 1 1 6 6 VAL CB C 6 33.183 33.183 31.177 2.006 25523 275 1 8 . 1 1 6 6 VAL H H 6 7.683 7.683 7.565 0.118 25523 276 1 8 . 1 1 7 7 GLY N N 7 107.885 107.885 107.746 0.139 25523 277 1 8 . 1 1 7 7 GLY CA C 7 47.040 47.040 46.498 0.542 25523 278 1 8 . 1 1 7 7 GLY H H 7 8.163 8.163 7.823 0.340 25523 279 1 8 . 1 1 8 8 HIS N N 8 116.927 116.927 120.089 -3.162 25523 280 1 8 . 1 1 8 8 HIS HA H 8 4.537 4.537 4.357 0.180 25523 281 1 8 . 1 1 8 8 HIS CA C 8 58.323 58.323 58.119 0.204 25523 282 1 8 . 1 1 8 8 HIS CB C 8 29.984 29.984 30.314 -0.330 25523 283 1 8 . 1 1 8 8 HIS H H 8 7.918 7.918 7.924 -0.006 25523 284 1 8 . 1 1 9 9 LEU N N 9 121.038 121.038 118.836 2.202 25523 285 1 8 . 1 1 9 9 LEU HA H 9 4.314 4.314 4.113 0.201 25523 286 1 8 . 1 1 9 9 LEU CA C 9 57.346 57.346 56.572 0.774 25523 287 1 8 . 1 1 9 9 LEU CB C 9 43.478 43.478 42.391 1.087 25523 288 1 8 . 1 1 9 9 LEU H H 9 8.040 8.040 7.808 0.232 25523 289 1 9 . 1 1 2 2 ASN HA H 2 4.812 4.812 4.885 -0.073 25523 290 1 9 . 1 1 2 2 ASN CA C 2 54.129 54.129 52.784 1.345 25523 291 1 9 . 1 1 2 2 ASN CB C 2 39.951 39.951 39.728 0.223 25523 292 1 9 . 1 1 3 3 HIS N N 3 120.049 120.049 121.875 -1.826 25523 293 1 9 . 1 1 3 3 HIS HA H 3 4.487 4.487 4.452 0.035 25523 294 1 9 . 1 1 3 3 HIS CA C 3 58.720 58.720 56.643 2.077 25523 295 1 9 . 1 1 3 3 HIS CB C 3 30.895 30.895 30.574 0.321 25523 296 1 9 . 1 1 3 3 HIS H H 3 8.419 8.419 8.649 -0.230 25523 297 1 9 . 1 1 4 4 TRP N N 4 121.004 121.004 118.747 2.257 25523 298 1 9 . 1 1 4 4 TRP HA H 4 4.525 4.525 4.492 0.033 25523 299 1 9 . 1 1 4 4 TRP CA C 4 59.937 59.937 58.980 0.957 25523 300 1 9 . 1 1 4 4 TRP CB C 4 30.273 30.273 28.773 1.500 25523 301 1 9 . 1 1 4 4 TRP H H 4 7.918 7.918 8.595 -0.677 25523 302 1 9 . 1 1 5 5 ALA N N 5 123.774 123.774 121.947 1.827 25523 303 1 9 . 1 1 5 5 ALA HA H 5 4.198 4.198 3.486 0.712 25523 304 1 9 . 1 1 5 5 ALA CA C 5 55.160 55.160 53.495 1.665 25523 305 1 9 . 1 1 5 5 ALA CB C 5 19.363 19.363 17.603 1.760 25523 306 1 9 . 1 1 5 5 ALA H H 5 8.151 8.151 7.320 0.831 25523 307 1 9 . 1 1 6 6 VAL N N 6 117.022 117.022 116.170 0.852 25523 308 1 9 . 1 1 6 6 VAL HA H 6 3.865 3.865 3.710 0.155 25523 309 1 9 . 1 1 6 6 VAL CA C 6 65.755 65.755 64.861 0.894 25523 310 1 9 . 1 1 6 6 VAL CB C 6 33.183 33.183 31.145 2.038 25523 311 1 9 . 1 1 6 6 VAL H H 6 7.683 7.683 7.521 0.162 25523 312 1 9 . 1 1 7 7 GLY N N 7 107.885 107.885 107.608 0.277 25523 313 1 9 . 1 1 7 7 GLY CA C 7 47.040 47.040 46.532 0.508 25523 314 1 9 . 1 1 7 7 GLY H H 7 8.163 8.163 7.805 0.358 25523 315 1 9 . 1 1 8 8 HIS N N 8 116.927 116.927 119.988 -3.061 25523 316 1 9 . 1 1 8 8 HIS HA H 8 4.537 4.537 4.410 0.127 25523 317 1 9 . 1 1 8 8 HIS CA C 8 58.323 58.323 57.970 0.353 25523 318 1 9 . 1 1 8 8 HIS CB C 8 29.984 29.984 30.423 -0.439 25523 319 1 9 . 1 1 8 8 HIS H H 8 7.918 7.918 7.854 0.064 25523 320 1 9 . 1 1 9 9 LEU N N 9 121.038 121.038 119.187 1.851 25523 321 1 9 . 1 1 9 9 LEU HA H 9 4.314 4.314 4.104 0.210 25523 322 1 9 . 1 1 9 9 LEU CA C 9 57.346 57.346 56.600 0.746 25523 323 1 9 . 1 1 9 9 LEU CB C 9 43.478 43.478 42.328 1.149 25523 324 1 9 . 1 1 9 9 LEU H H 9 8.040 8.040 7.880 0.160 25523 325 1 10 . 1 1 2 2 ASN HA H 2 4.812 4.812 4.718 0.094 25523 326 1 10 . 1 1 2 2 ASN CA C 2 54.129 54.129 52.395 1.734 25523 327 1 10 . 1 1 2 2 ASN CB C 2 39.951 39.951 37.329 2.622 25523 328 1 10 . 1 1 3 3 HIS N N 3 120.049 120.049 120.516 -0.467 25523 329 1 10 . 1 1 3 3 HIS HA H 3 4.487 4.487 4.420 0.067 25523 330 1 10 . 1 1 3 3 HIS CA C 3 58.720 58.720 56.489 2.231 25523 331 1 10 . 1 1 3 3 HIS CB C 3 30.895 30.895 30.637 0.258 25523 332 1 10 . 1 1 3 3 HIS H H 3 8.419 8.419 7.669 0.750 25523 333 1 10 . 1 1 4 4 TRP N N 4 121.004 121.004 118.845 2.159 25523 334 1 10 . 1 1 4 4 TRP HA H 4 4.525 4.525 4.496 0.029 25523 335 1 10 . 1 1 4 4 TRP CA C 4 59.937 59.937 58.970 0.967 25523 336 1 10 . 1 1 4 4 TRP CB C 4 30.273 30.273 28.677 1.596 25523 337 1 10 . 1 1 4 4 TRP H H 4 7.918 7.918 8.590 -0.672 25523 338 1 10 . 1 1 5 5 ALA N N 5 123.774 123.774 122.202 1.572 25523 339 1 10 . 1 1 5 5 ALA HA H 5 4.198 4.198 3.479 0.719 25523 340 1 10 . 1 1 5 5 ALA CA C 5 55.160 55.160 53.567 1.593 25523 341 1 10 . 1 1 5 5 ALA CB C 5 19.363 19.363 17.429 1.934 25523 342 1 10 . 1 1 5 5 ALA H H 5 8.151 8.151 7.331 0.820 25523 343 1 10 . 1 1 6 6 VAL N N 6 117.022 117.022 116.181 0.841 25523 344 1 10 . 1 1 6 6 VAL HA H 6 3.865 3.865 3.696 0.169 25523 345 1 10 . 1 1 6 6 VAL CA C 6 65.755 65.755 65.030 0.725 25523 346 1 10 . 1 1 6 6 VAL CB C 6 33.183 33.183 31.224 1.959 25523 347 1 10 . 1 1 6 6 VAL H H 6 7.683 7.683 7.593 0.090 25523 348 1 10 . 1 1 7 7 GLY N N 7 107.885 107.885 107.659 0.226 25523 349 1 10 . 1 1 7 7 GLY CA C 7 47.040 47.040 46.481 0.559 25523 350 1 10 . 1 1 7 7 GLY H H 7 8.163 8.163 7.778 0.385 25523 351 1 10 . 1 1 8 8 HIS N N 8 116.927 116.927 120.149 -3.222 25523 352 1 10 . 1 1 8 8 HIS HA H 8 4.537 4.537 4.358 0.179 25523 353 1 10 . 1 1 8 8 HIS CA C 8 58.323 58.323 58.010 0.313 25523 354 1 10 . 1 1 8 8 HIS CB C 8 29.984 29.984 30.285 -0.301 25523 355 1 10 . 1 1 8 8 HIS H H 8 7.918 7.918 7.855 0.063 25523 356 1 10 . 1 1 9 9 LEU N N 9 121.038 121.038 118.999 2.039 25523 357 1 10 . 1 1 9 9 LEU HA H 9 4.314 4.314 4.074 0.240 25523 358 1 10 . 1 1 9 9 LEU CA C 9 57.346 57.346 56.797 0.549 25523 359 1 10 . 1 1 9 9 LEU CB C 9 43.478 43.478 42.348 1.130 25523 360 1 10 . 1 1 9 9 LEU H H 9 8.040 8.040 7.816 0.224 25523 361 1 11 . 1 1 2 2 ASN HA H 2 4.812 4.812 4.881 -0.069 25523 362 1 11 . 1 1 2 2 ASN CA C 2 54.129 54.129 52.754 1.375 25523 363 1 11 . 1 1 2 2 ASN CB C 2 39.951 39.951 39.638 0.313 25523 364 1 11 . 1 1 3 3 HIS N N 3 120.049 120.049 120.206 -0.157 25523 365 1 11 . 1 1 3 3 HIS HA H 3 4.487 4.487 4.523 -0.036 25523 366 1 11 . 1 1 3 3 HIS CA C 3 58.720 58.720 56.496 2.224 25523 367 1 11 . 1 1 3 3 HIS CB C 3 30.895 30.895 30.642 0.253 25523 368 1 11 . 1 1 3 3 HIS H H 3 8.419 8.419 8.029 0.390 25523 369 1 11 . 1 1 4 4 TRP N N 4 121.004 121.004 119.456 1.548 25523 370 1 11 . 1 1 4 4 TRP HA H 4 4.525 4.525 4.572 -0.047 25523 371 1 11 . 1 1 4 4 TRP CA C 4 59.937 59.937 58.834 1.103 25523 372 1 11 . 1 1 4 4 TRP CB C 4 30.273 30.273 28.932 1.341 25523 373 1 11 . 1 1 4 4 TRP H H 4 7.918 7.918 8.513 -0.595 25523 374 1 11 . 1 1 5 5 ALA N N 5 123.774 123.774 122.487 1.287 25523 375 1 11 . 1 1 5 5 ALA HA H 5 4.198 4.198 3.482 0.716 25523 376 1 11 . 1 1 5 5 ALA CA C 5 55.160 55.160 53.913 1.247 25523 377 1 11 . 1 1 5 5 ALA CB C 5 19.363 19.363 17.913 1.450 25523 378 1 11 . 1 1 5 5 ALA H H 5 8.151 8.151 6.930 1.221 25523 379 1 11 . 1 1 6 6 VAL N N 6 117.022 117.022 116.687 0.335 25523 380 1 11 . 1 1 6 6 VAL HA H 6 3.865 3.865 3.679 0.186 25523 381 1 11 . 1 1 6 6 VAL CA C 6 65.755 65.755 65.005 0.750 25523 382 1 11 . 1 1 6 6 VAL CB C 6 33.183 33.183 31.084 2.099 25523 383 1 11 . 1 1 6 6 VAL H H 6 7.683 7.683 7.524 0.159 25523 384 1 11 . 1 1 7 7 GLY N N 7 107.885 107.885 107.423 0.462 25523 385 1 11 . 1 1 7 7 GLY CA C 7 47.040 47.040 46.546 0.494 25523 386 1 11 . 1 1 7 7 GLY H H 7 8.163 8.163 7.867 0.296 25523 387 1 11 . 1 1 8 8 HIS N N 8 116.927 116.927 119.698 -2.771 25523 388 1 11 . 1 1 8 8 HIS HA H 8 4.537 4.537 4.495 0.042 25523 389 1 11 . 1 1 8 8 HIS CA C 8 58.323 58.323 57.583 0.740 25523 390 1 11 . 1 1 8 8 HIS CB C 8 29.984 29.984 30.544 -0.560 25523 391 1 11 . 1 1 8 8 HIS H H 8 7.918 7.918 7.841 0.077 25523 392 1 11 . 1 1 9 9 LEU N N 9 121.038 121.038 119.843 1.195 25523 393 1 11 . 1 1 9 9 LEU HA H 9 4.314 4.314 4.093 0.221 25523 394 1 11 . 1 1 9 9 LEU CA C 9 57.346 57.346 56.626 0.720 25523 395 1 11 . 1 1 9 9 LEU CB C 9 43.478 43.478 42.312 1.166 25523 396 1 11 . 1 1 9 9 LEU H H 9 8.040 8.040 7.923 0.117 25523 397 1 12 . 1 1 2 2 ASN HA H 2 4.812 4.812 4.959 -0.147 25523 398 1 12 . 1 1 2 2 ASN CA C 2 54.129 54.129 53.643 0.486 25523 399 1 12 . 1 1 2 2 ASN CB C 2 39.951 39.951 39.514 0.437 25523 400 1 12 . 1 1 3 3 HIS N N 3 120.049 120.049 116.410 3.639 25523 401 1 12 . 1 1 3 3 HIS HA H 3 4.487 4.487 4.669 -0.182 25523 402 1 12 . 1 1 3 3 HIS CA C 3 58.720 58.720 55.240 3.480 25523 403 1 12 . 1 1 3 3 HIS CB C 3 30.895 30.895 32.034 -1.139 25523 404 1 12 . 1 1 3 3 HIS H H 3 8.419 8.419 8.402 0.017 25523 405 1 12 . 1 1 4 4 TRP N N 4 121.004 121.004 119.174 1.830 25523 406 1 12 . 1 1 4 4 TRP HA H 4 4.525 4.525 4.684 -0.159 25523 407 1 12 . 1 1 4 4 TRP CA C 4 59.937 59.937 58.741 1.196 25523 408 1 12 . 1 1 4 4 TRP CB C 4 30.273 30.273 29.224 1.049 25523 409 1 12 . 1 1 4 4 TRP H H 4 7.918 7.918 8.699 -0.781 25523 410 1 12 . 1 1 5 5 ALA N N 5 123.774 123.774 122.113 1.661 25523 411 1 12 . 1 1 5 5 ALA HA H 5 4.198 4.198 3.491 0.707 25523 412 1 12 . 1 1 5 5 ALA CA C 5 55.160 55.160 53.387 1.773 25523 413 1 12 . 1 1 5 5 ALA CB C 5 19.363 19.363 17.693 1.670 25523 414 1 12 . 1 1 5 5 ALA H H 5 8.151 8.151 7.311 0.840 25523 415 1 12 . 1 1 6 6 VAL N N 6 117.022 117.022 116.114 0.908 25523 416 1 12 . 1 1 6 6 VAL HA H 6 3.865 3.865 3.675 0.190 25523 417 1 12 . 1 1 6 6 VAL CA C 6 65.755 65.755 64.834 0.921 25523 418 1 12 . 1 1 6 6 VAL CB C 6 33.183 33.183 31.101 2.082 25523 419 1 12 . 1 1 6 6 VAL H H 6 7.683 7.683 7.490 0.193 25523 420 1 12 . 1 1 7 7 GLY N N 7 107.885 107.885 107.652 0.233 25523 421 1 12 . 1 1 7 7 GLY CA C 7 47.040 47.040 46.469 0.571 25523 422 1 12 . 1 1 7 7 GLY H H 7 8.163 8.163 7.821 0.342 25523 423 1 12 . 1 1 8 8 HIS N N 8 116.927 116.927 120.867 -3.940 25523 424 1 12 . 1 1 8 8 HIS HA H 8 4.537 4.537 4.351 0.186 25523 425 1 12 . 1 1 8 8 HIS CA C 8 58.323 58.323 57.954 0.369 25523 426 1 12 . 1 1 8 8 HIS CB C 8 29.984 29.984 30.250 -0.266 25523 427 1 12 . 1 1 8 8 HIS H H 8 7.918 7.918 7.845 0.073 25523 428 1 12 . 1 1 9 9 LEU N N 9 121.038 121.038 118.428 2.610 25523 429 1 12 . 1 1 9 9 LEU HA H 9 4.314 4.314 4.031 0.283 25523 430 1 12 . 1 1 9 9 LEU CA C 9 57.346 57.346 56.823 0.523 25523 431 1 12 . 1 1 9 9 LEU CB C 9 43.478 43.478 42.313 1.165 25523 432 1 12 . 1 1 9 9 LEU H H 9 8.040 8.040 7.911 0.129 25523 433 1 13 . 1 1 2 2 ASN HA H 2 4.812 4.812 4.493 0.319 25523 434 1 13 . 1 1 2 2 ASN CA C 2 54.129 54.129 53.230 0.899 25523 435 1 13 . 1 1 2 2 ASN CB C 2 39.951 39.951 37.711 2.240 25523 436 1 13 . 1 1 3 3 HIS N N 3 120.049 120.049 116.908 3.141 25523 437 1 13 . 1 1 3 3 HIS HA H 3 4.487 4.487 4.380 0.107 25523 438 1 13 . 1 1 3 3 HIS CA C 3 58.720 58.720 57.058 1.662 25523 439 1 13 . 1 1 3 3 HIS CB C 3 30.895 30.895 30.474 0.421 25523 440 1 13 . 1 1 3 3 HIS H H 3 8.419 8.419 8.072 0.346 25523 441 1 13 . 1 1 4 4 TRP N N 4 121.004 121.004 119.312 1.692 25523 442 1 13 . 1 1 4 4 TRP HA H 4 4.525 4.525 4.561 -0.036 25523 443 1 13 . 1 1 4 4 TRP CA C 4 59.937 59.937 58.991 0.946 25523 444 1 13 . 1 1 4 4 TRP CB C 4 30.273 30.273 28.897 1.376 25523 445 1 13 . 1 1 4 4 TRP H H 4 7.918 7.918 8.556 -0.638 25523 446 1 13 . 1 1 5 5 ALA N N 5 123.774 123.774 122.545 1.229 25523 447 1 13 . 1 1 5 5 ALA HA H 5 4.198 4.198 3.489 0.709 25523 448 1 13 . 1 1 5 5 ALA CA C 5 55.160 55.160 53.857 1.303 25523 449 1 13 . 1 1 5 5 ALA CB C 5 19.363 19.363 17.904 1.459 25523 450 1 13 . 1 1 5 5 ALA H H 5 8.151 8.151 6.858 1.293 25523 451 1 13 . 1 1 6 6 VAL N N 6 117.022 117.022 116.014 1.008 25523 452 1 13 . 1 1 6 6 VAL HA H 6 3.865 3.865 3.679 0.186 25523 453 1 13 . 1 1 6 6 VAL CA C 6 65.755 65.755 64.814 0.941 25523 454 1 13 . 1 1 6 6 VAL CB C 6 33.183 33.183 31.090 2.093 25523 455 1 13 . 1 1 6 6 VAL H H 6 7.683 7.683 7.496 0.187 25523 456 1 13 . 1 1 7 7 GLY N N 7 107.885 107.885 107.715 0.170 25523 457 1 13 . 1 1 7 7 GLY CA C 7 47.040 47.040 46.433 0.607 25523 458 1 13 . 1 1 7 7 GLY H H 7 8.163 8.163 7.777 0.386 25523 459 1 13 . 1 1 8 8 HIS N N 8 116.927 116.927 121.037 -4.110 25523 460 1 13 . 1 1 8 8 HIS HA H 8 4.537 4.537 4.312 0.225 25523 461 1 13 . 1 1 8 8 HIS CA C 8 58.323 58.323 58.169 0.155 25523 462 1 13 . 1 1 8 8 HIS CB C 8 29.984 29.984 30.197 -0.213 25523 463 1 13 . 1 1 8 8 HIS H H 8 7.918 7.918 7.860 0.058 25523 464 1 13 . 1 1 9 9 LEU N N 9 121.038 121.038 118.094 2.944 25523 465 1 13 . 1 1 9 9 LEU HA H 9 4.314 4.314 4.037 0.277 25523 466 1 13 . 1 1 9 9 LEU CA C 9 57.346 57.346 56.833 0.513 25523 467 1 13 . 1 1 9 9 LEU CB C 9 43.478 43.478 42.374 1.104 25523 468 1 13 . 1 1 9 9 LEU H H 9 8.040 8.040 7.919 0.121 25523 469 1 14 . 1 1 2 2 ASN HA H 2 4.812 4.812 4.665 0.147 25523 470 1 14 . 1 1 2 2 ASN CA C 2 54.129 54.129 52.303 1.827 25523 471 1 14 . 1 1 2 2 ASN CB C 2 39.951 39.951 38.255 1.696 25523 472 1 14 . 1 1 3 3 HIS N N 3 120.049 120.049 120.516 -0.467 25523 473 1 14 . 1 1 3 3 HIS HA H 3 4.487 4.487 4.512 -0.025 25523 474 1 14 . 1 1 3 3 HIS CA C 3 58.720 58.720 56.521 2.199 25523 475 1 14 . 1 1 3 3 HIS CB C 3 30.895 30.895 30.171 0.724 25523 476 1 14 . 1 1 3 3 HIS H H 3 8.419 8.419 7.942 0.477 25523 477 1 14 . 1 1 4 4 TRP N N 4 121.004 121.004 119.223 1.781 25523 478 1 14 . 1 1 4 4 TRP HA H 4 4.525 4.525 4.507 0.018 25523 479 1 14 . 1 1 4 4 TRP CA C 4 59.937 59.937 58.924 1.013 25523 480 1 14 . 1 1 4 4 TRP CB C 4 30.273 30.273 28.674 1.599 25523 481 1 14 . 1 1 4 4 TRP H H 4 7.918 7.918 8.437 -0.519 25523 482 1 14 . 1 1 5 5 ALA N N 5 123.774 123.774 122.879 0.895 25523 483 1 14 . 1 1 5 5 ALA HA H 5 4.198 4.198 3.489 0.709 25523 484 1 14 . 1 1 5 5 ALA CA C 5 55.160 55.160 53.563 1.597 25523 485 1 14 . 1 1 5 5 ALA CB C 5 19.363 19.363 17.274 2.089 25523 486 1 14 . 1 1 5 5 ALA H H 5 8.151 8.151 7.328 0.823 25523 487 1 14 . 1 1 6 6 VAL N N 6 117.022 117.022 116.520 0.502 25523 488 1 14 . 1 1 6 6 VAL HA H 6 3.865 3.865 3.699 0.166 25523 489 1 14 . 1 1 6 6 VAL CA C 6 65.755 65.755 65.088 0.667 25523 490 1 14 . 1 1 6 6 VAL CB C 6 33.183 33.183 31.264 1.919 25523 491 1 14 . 1 1 6 6 VAL H H 6 7.683 7.683 7.646 0.037 25523 492 1 14 . 1 1 7 7 GLY N N 7 107.885 107.885 107.558 0.327 25523 493 1 14 . 1 1 7 7 GLY CA C 7 47.040 47.040 46.507 0.533 25523 494 1 14 . 1 1 7 7 GLY H H 7 8.163 8.163 7.833 0.330 25523 495 1 14 . 1 1 8 8 HIS N N 8 116.927 116.927 120.042 -3.115 25523 496 1 14 . 1 1 8 8 HIS HA H 8 4.537 4.537 4.388 0.149 25523 497 1 14 . 1 1 8 8 HIS CA C 8 58.323 58.323 57.973 0.350 25523 498 1 14 . 1 1 8 8 HIS CB C 8 29.984 29.984 30.365 -0.381 25523 499 1 14 . 1 1 8 8 HIS H H 8 7.918 7.918 7.839 0.079 25523 500 1 14 . 1 1 9 9 LEU N N 9 121.038 121.038 119.187 1.851 25523 501 1 14 . 1 1 9 9 LEU HA H 9 4.314 4.314 4.094 0.220 25523 502 1 14 . 1 1 9 9 LEU CA C 9 57.346 57.346 56.699 0.647 25523 503 1 14 . 1 1 9 9 LEU CB C 9 43.478 43.478 42.305 1.173 25523 504 1 14 . 1 1 9 9 LEU H H 9 8.040 8.040 7.812 0.228 25523 505 1 15 . 1 1 2 2 ASN HA H 2 4.812 4.812 4.684 0.128 25523 506 1 15 . 1 1 2 2 ASN CA C 2 54.129 54.129 53.019 1.110 25523 507 1 15 . 1 1 2 2 ASN CB C 2 39.951 39.951 38.883 1.069 25523 508 1 15 . 1 1 3 3 HIS N N 3 120.049 120.049 119.157 0.892 25523 509 1 15 . 1 1 3 3 HIS HA H 3 4.487 4.487 4.412 0.075 25523 510 1 15 . 1 1 3 3 HIS CA C 3 58.720 58.720 56.115 2.605 25523 511 1 15 . 1 1 3 3 HIS CB C 3 30.895 30.895 30.565 0.330 25523 512 1 15 . 1 1 3 3 HIS H H 3 8.419 8.419 8.527 -0.108 25523 513 1 15 . 1 1 4 4 TRP N N 4 121.004 121.004 118.628 2.376 25523 514 1 15 . 1 1 4 4 TRP HA H 4 4.525 4.525 4.509 0.016 25523 515 1 15 . 1 1 4 4 TRP CA C 4 59.937 59.937 58.708 1.229 25523 516 1 15 . 1 1 4 4 TRP CB C 4 30.273 30.273 28.870 1.403 25523 517 1 15 . 1 1 4 4 TRP H H 4 7.918 7.918 8.500 -0.582 25523 518 1 15 . 1 1 5 5 ALA N N 5 123.774 123.774 122.221 1.553 25523 519 1 15 . 1 1 5 5 ALA HA H 5 4.198 4.198 3.494 0.704 25523 520 1 15 . 1 1 5 5 ALA CA C 5 55.160 55.160 53.784 1.376 25523 521 1 15 . 1 1 5 5 ALA CB C 5 19.363 19.363 17.356 2.007 25523 522 1 15 . 1 1 5 5 ALA H H 5 8.151 8.151 7.450 0.701 25523 523 1 15 . 1 1 6 6 VAL N N 6 117.022 117.022 116.040 0.982 25523 524 1 15 . 1 1 6 6 VAL HA H 6 3.865 3.865 3.670 0.195 25523 525 1 15 . 1 1 6 6 VAL CA C 6 65.755 65.755 64.927 0.828 25523 526 1 15 . 1 1 6 6 VAL CB C 6 33.183 33.183 31.083 2.100 25523 527 1 15 . 1 1 6 6 VAL H H 6 7.683 7.683 7.499 0.184 25523 528 1 15 . 1 1 7 7 GLY N N 7 107.885 107.885 107.415 0.470 25523 529 1 15 . 1 1 7 7 GLY CA C 7 47.040 47.040 46.507 0.533 25523 530 1 15 . 1 1 7 7 GLY H H 7 8.163 8.163 7.820 0.343 25523 531 1 15 . 1 1 8 8 HIS N N 8 116.927 116.927 120.489 -3.562 25523 532 1 15 . 1 1 8 8 HIS HA H 8 4.537 4.537 4.450 0.087 25523 533 1 15 . 1 1 8 8 HIS CA C 8 58.323 58.323 57.685 0.638 25523 534 1 15 . 1 1 8 8 HIS CB C 8 29.984 29.984 30.499 -0.515 25523 535 1 15 . 1 1 8 8 HIS H H 8 7.918 7.918 7.751 0.167 25523 536 1 15 . 1 1 9 9 LEU N N 9 121.038 121.038 118.716 2.322 25523 537 1 15 . 1 1 9 9 LEU HA H 9 4.314 4.314 4.029 0.285 25523 538 1 15 . 1 1 9 9 LEU CA C 9 57.346 57.346 56.929 0.416 25523 539 1 15 . 1 1 9 9 LEU CB C 9 43.478 43.478 42.304 1.174 25523 540 1 15 . 1 1 9 9 LEU H H 9 8.040 8.040 7.934 0.106 25523 541 1 16 . 1 1 2 2 ASN HA H 2 4.812 4.812 4.993 -0.181 25523 542 1 16 . 1 1 2 2 ASN CA C 2 54.129 54.129 52.485 1.644 25523 543 1 16 . 1 1 2 2 ASN CB C 2 39.951 39.951 38.111 1.840 25523 544 1 16 . 1 1 3 3 HIS N N 3 120.049 120.049 122.281 -2.232 25523 545 1 16 . 1 1 3 3 HIS HA H 3 4.487 4.487 4.491 -0.004 25523 546 1 16 . 1 1 3 3 HIS CA C 3 58.720 58.720 56.791 1.929 25523 547 1 16 . 1 1 3 3 HIS CB C 3 30.895 30.895 30.850 0.045 25523 548 1 16 . 1 1 3 3 HIS H H 3 8.419 8.419 8.700 -0.281 25523 549 1 16 . 1 1 4 4 TRP N N 4 121.004 121.004 119.083 1.921 25523 550 1 16 . 1 1 4 4 TRP HA H 4 4.525 4.525 4.523 0.002 25523 551 1 16 . 1 1 4 4 TRP CA C 4 59.937 59.937 58.630 1.307 25523 552 1 16 . 1 1 4 4 TRP CB C 4 30.273 30.273 28.841 1.432 25523 553 1 16 . 1 1 4 4 TRP H H 4 7.918 7.918 8.587 -0.669 25523 554 1 16 . 1 1 5 5 ALA N N 5 123.774 123.774 122.239 1.535 25523 555 1 16 . 1 1 5 5 ALA HA H 5 4.198 4.198 3.470 0.728 25523 556 1 16 . 1 1 5 5 ALA CA C 5 55.160 55.160 53.722 1.438 25523 557 1 16 . 1 1 5 5 ALA CB C 5 19.363 19.363 17.387 1.976 25523 558 1 16 . 1 1 5 5 ALA H H 5 8.151 8.151 7.438 0.713 25523 559 1 16 . 1 1 6 6 VAL N N 6 117.022 117.022 116.001 1.021 25523 560 1 16 . 1 1 6 6 VAL HA H 6 3.865 3.865 3.694 0.171 25523 561 1 16 . 1 1 6 6 VAL CA C 6 65.755 65.755 65.098 0.657 25523 562 1 16 . 1 1 6 6 VAL CB C 6 33.183 33.183 31.226 1.957 25523 563 1 16 . 1 1 6 6 VAL H H 6 7.683 7.683 7.584 0.099 25523 564 1 16 . 1 1 7 7 GLY N N 7 107.885 107.885 107.648 0.237 25523 565 1 16 . 1 1 7 7 GLY CA C 7 47.040 47.040 46.476 0.564 25523 566 1 16 . 1 1 7 7 GLY H H 7 8.163 8.163 7.790 0.373 25523 567 1 16 . 1 1 8 8 HIS N N 8 116.927 116.927 120.124 -3.197 25523 568 1 16 . 1 1 8 8 HIS HA H 8 4.537 4.537 4.359 0.178 25523 569 1 16 . 1 1 8 8 HIS CA C 8 58.323 58.323 57.870 0.453 25523 570 1 16 . 1 1 8 8 HIS CB C 8 29.984 29.984 30.287 -0.303 25523 571 1 16 . 1 1 8 8 HIS H H 8 7.918 7.918 7.857 0.061 25523 572 1 16 . 1 1 9 9 LEU N N 9 121.038 121.038 119.140 1.898 25523 573 1 16 . 1 1 9 9 LEU HA H 9 4.314 4.314 4.088 0.226 25523 574 1 16 . 1 1 9 9 LEU CA C 9 57.346 57.346 56.739 0.607 25523 575 1 16 . 1 1 9 9 LEU CB C 9 43.478 43.478 42.358 1.120 25523 576 1 16 . 1 1 9 9 LEU H H 9 8.040 8.040 7.810 0.230 25523 577 1 17 . 1 1 2 2 ASN HA H 2 4.812 4.812 5.083 -0.271 25523 578 1 17 . 1 1 2 2 ASN CA C 2 54.129 54.129 53.476 0.653 25523 579 1 17 . 1 1 2 2 ASN CB C 2 39.951 39.951 40.524 -0.573 25523 580 1 17 . 1 1 3 3 HIS N N 3 120.049 120.049 121.277 -1.228 25523 581 1 17 . 1 1 3 3 HIS HA H 3 4.487 4.487 4.716 -0.229 25523 582 1 17 . 1 1 3 3 HIS CA C 3 58.720 58.720 55.239 3.481 25523 583 1 17 . 1 1 3 3 HIS CB C 3 30.895 30.895 31.218 -0.324 25523 584 1 17 . 1 1 3 3 HIS H H 3 8.419 8.419 8.437 -0.018 25523 585 1 17 . 1 1 4 4 TRP N N 4 121.004 121.004 119.116 1.888 25523 586 1 17 . 1 1 4 4 TRP HA H 4 4.525 4.525 4.587 -0.062 25523 587 1 17 . 1 1 4 4 TRP CA C 4 59.937 59.937 58.101 1.836 25523 588 1 17 . 1 1 4 4 TRP CB C 4 30.273 30.273 29.286 0.987 25523 589 1 17 . 1 1 4 4 TRP H H 4 7.918 7.918 7.990 -0.072 25523 590 1 17 . 1 1 5 5 ALA N N 5 123.774 123.774 121.957 1.817 25523 591 1 17 . 1 1 5 5 ALA HA H 5 4.198 4.198 3.468 0.730 25523 592 1 17 . 1 1 5 5 ALA CA C 5 55.160 55.160 53.825 1.335 25523 593 1 17 . 1 1 5 5 ALA CB C 5 19.363 19.363 17.615 1.748 25523 594 1 17 . 1 1 5 5 ALA H H 5 8.151 8.151 7.179 0.972 25523 595 1 17 . 1 1 6 6 VAL N N 6 117.022 117.022 116.066 0.956 25523 596 1 17 . 1 1 6 6 VAL HA H 6 3.865 3.865 3.710 0.155 25523 597 1 17 . 1 1 6 6 VAL CA C 6 65.755 65.755 65.145 0.610 25523 598 1 17 . 1 1 6 6 VAL CB C 6 33.183 33.183 31.235 1.948 25523 599 1 17 . 1 1 6 6 VAL H H 6 7.683 7.683 7.653 0.030 25523 600 1 17 . 1 1 7 7 GLY N N 7 107.885 107.885 107.768 0.117 25523 601 1 17 . 1 1 7 7 GLY CA C 7 47.040 47.040 46.437 0.603 25523 602 1 17 . 1 1 7 7 GLY H H 7 8.163 8.163 7.699 0.464 25523 603 1 17 . 1 1 8 8 HIS N N 8 116.927 116.927 120.132 -3.205 25523 604 1 17 . 1 1 8 8 HIS HA H 8 4.537 4.537 4.338 0.199 25523 605 1 17 . 1 1 8 8 HIS CA C 8 58.323 58.323 58.328 -0.005 25523 606 1 17 . 1 1 8 8 HIS CB C 8 29.984 29.984 30.242 -0.258 25523 607 1 17 . 1 1 8 8 HIS H H 8 7.918 7.918 7.908 0.010 25523 608 1 17 . 1 1 9 9 LEU N N 9 121.038 121.038 118.591 2.447 25523 609 1 17 . 1 1 9 9 LEU HA H 9 4.314 4.314 4.144 0.170 25523 610 1 17 . 1 1 9 9 LEU CA C 9 57.346 57.346 56.432 0.914 25523 611 1 17 . 1 1 9 9 LEU CB C 9 43.478 43.478 42.406 1.072 25523 612 1 17 . 1 1 9 9 LEU H H 9 8.040 8.040 7.750 0.290 25523 613 1 18 . 1 1 2 2 ASN HA H 2 4.812 4.812 4.898 -0.086 25523 614 1 18 . 1 1 2 2 ASN CA C 2 54.129 54.129 52.730 1.399 25523 615 1 18 . 1 1 2 2 ASN CB C 2 39.951 39.951 39.801 0.150 25523 616 1 18 . 1 1 3 3 HIS N N 3 120.049 120.049 120.492 -0.443 25523 617 1 18 . 1 1 3 3 HIS HA H 3 4.487 4.487 4.502 -0.015 25523 618 1 18 . 1 1 3 3 HIS CA C 3 58.720 58.720 55.785 2.935 25523 619 1 18 . 1 1 3 3 HIS CB C 3 30.895 30.895 30.714 0.181 25523 620 1 18 . 1 1 3 3 HIS H H 3 8.419 8.419 8.488 -0.069 25523 621 1 18 . 1 1 4 4 TRP N N 4 121.004 121.004 118.820 2.184 25523 622 1 18 . 1 1 4 4 TRP HA H 4 4.525 4.525 4.499 0.026 25523 623 1 18 . 1 1 4 4 TRP CA C 4 59.937 59.937 58.650 1.287 25523 624 1 18 . 1 1 4 4 TRP CB C 4 30.273 30.273 28.750 1.524 25523 625 1 18 . 1 1 4 4 TRP H H 4 7.918 7.918 8.512 -0.594 25523 626 1 18 . 1 1 5 5 ALA N N 5 123.774 123.774 122.125 1.649 25523 627 1 18 . 1 1 5 5 ALA HA H 5 4.198 4.198 3.448 0.750 25523 628 1 18 . 1 1 5 5 ALA CA C 5 55.160 55.160 53.603 1.557 25523 629 1 18 . 1 1 5 5 ALA CB C 5 19.363 19.363 17.369 1.994 25523 630 1 18 . 1 1 5 5 ALA H H 5 8.151 8.151 7.321 0.830 25523 631 1 18 . 1 1 6 6 VAL N N 6 117.022 117.022 116.191 0.831 25523 632 1 18 . 1 1 6 6 VAL HA H 6 3.865 3.865 3.681 0.184 25523 633 1 18 . 1 1 6 6 VAL CA C 6 65.755 65.755 64.877 0.878 25523 634 1 18 . 1 1 6 6 VAL CB C 6 33.183 33.183 31.083 2.100 25523 635 1 18 . 1 1 6 6 VAL H H 6 7.683 7.683 7.484 0.199 25523 636 1 18 . 1 1 7 7 GLY N N 7 107.885 107.885 107.415 0.470 25523 637 1 18 . 1 1 7 7 GLY CA C 7 47.040 47.040 46.480 0.561 25523 638 1 18 . 1 1 7 7 GLY H H 7 8.163 8.163 7.869 0.294 25523 639 1 18 . 1 1 8 8 HIS N N 8 116.927 116.927 119.978 -3.051 25523 640 1 18 . 1 1 8 8 HIS HA H 8 4.537 4.537 4.432 0.105 25523 641 1 18 . 1 1 8 8 HIS CA C 8 58.323 58.323 57.478 0.845 25523 642 1 18 . 1 1 8 8 HIS CB C 8 29.984 29.984 30.321 -0.337 25523 643 1 18 . 1 1 8 8 HIS H H 8 7.918 7.918 7.848 0.070 25523 644 1 18 . 1 1 9 9 LEU N N 9 121.038 121.038 119.904 1.134 25523 645 1 18 . 1 1 9 9 LEU HA H 9 4.314 4.314 4.027 0.287 25523 646 1 18 . 1 1 9 9 LEU CA C 9 57.346 57.346 56.952 0.394 25523 647 1 18 . 1 1 9 9 LEU CB C 9 43.478 43.478 42.107 1.371 25523 648 1 18 . 1 1 9 9 LEU H H 9 8.040 8.040 7.838 0.202 25523 649 1 19 . 1 1 2 2 ASN HA H 2 4.812 4.812 4.869 -0.057 25523 650 1 19 . 1 1 2 2 ASN CA C 2 54.129 54.129 52.360 1.769 25523 651 1 19 . 1 1 2 2 ASN CB C 2 39.951 39.951 38.659 1.292 25523 652 1 19 . 1 1 3 3 HIS N N 3 120.049 120.049 119.221 0.828 25523 653 1 19 . 1 1 3 3 HIS HA H 3 4.487 4.487 4.469 0.018 25523 654 1 19 . 1 1 3 3 HIS CA C 3 58.720 58.720 56.590 2.130 25523 655 1 19 . 1 1 3 3 HIS CB C 3 30.895 30.895 30.556 0.339 25523 656 1 19 . 1 1 3 3 HIS H H 3 8.419 8.419 8.202 0.217 25523 657 1 19 . 1 1 4 4 TRP N N 4 121.004 121.004 119.001 2.003 25523 658 1 19 . 1 1 4 4 TRP HA H 4 4.525 4.525 4.521 0.004 25523 659 1 19 . 1 1 4 4 TRP CA C 4 59.937 59.937 58.685 1.252 25523 660 1 19 . 1 1 4 4 TRP CB C 4 30.273 30.273 28.836 1.437 25523 661 1 19 . 1 1 4 4 TRP H H 4 7.918 7.918 8.573 -0.655 25523 662 1 19 . 1 1 5 5 ALA N N 5 123.774 123.774 122.210 1.564 25523 663 1 19 . 1 1 5 5 ALA HA H 5 4.198 4.198 3.489 0.709 25523 664 1 19 . 1 1 5 5 ALA CA C 5 55.160 55.160 53.724 1.436 25523 665 1 19 . 1 1 5 5 ALA CB C 5 19.363 19.363 17.386 1.977 25523 666 1 19 . 1 1 5 5 ALA H H 5 8.151 8.151 7.444 0.707 25523 667 1 19 . 1 1 6 6 VAL N N 6 117.022 117.022 115.807 1.215 25523 668 1 19 . 1 1 6 6 VAL HA H 6 3.865 3.865 3.675 0.190 25523 669 1 19 . 1 1 6 6 VAL CA C 6 65.755 65.755 64.864 0.891 25523 670 1 19 . 1 1 6 6 VAL CB C 6 33.183 33.183 31.085 2.098 25523 671 1 19 . 1 1 6 6 VAL H H 6 7.683 7.683 7.505 0.178 25523 672 1 19 . 1 1 7 7 GLY N N 7 107.885 107.885 107.744 0.141 25523 673 1 19 . 1 1 7 7 GLY CA C 7 47.040 47.040 46.378 0.662 25523 674 1 19 . 1 1 7 7 GLY H H 7 8.163 8.163 7.776 0.387 25523 675 1 19 . 1 1 8 8 HIS N N 8 116.927 116.927 120.293 -3.366 25523 676 1 19 . 1 1 8 8 HIS HA H 8 4.537 4.537 4.291 0.246 25523 677 1 19 . 1 1 8 8 HIS CA C 8 58.323 58.323 58.044 0.279 25523 678 1 19 . 1 1 8 8 HIS CB C 8 29.984 29.984 30.089 -0.105 25523 679 1 19 . 1 1 8 8 HIS H H 8 7.918 7.918 7.912 0.006 25523 680 1 19 . 1 1 9 9 LEU N N 9 121.038 121.038 119.224 1.814 25523 681 1 19 . 1 1 9 9 LEU HA H 9 4.314 4.314 4.037 0.277 25523 682 1 19 . 1 1 9 9 LEU CA C 9 57.346 57.346 56.815 0.531 25523 683 1 19 . 1 1 9 9 LEU CB C 9 43.478 43.478 42.115 1.363 25523 684 1 19 . 1 1 9 9 LEU H H 9 8.040 8.040 7.838 0.202 25523 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 7 1.692 -0.489 1.749 25523 2 1 1 "Average Difference" HA 9 0.263 -0.144 0.233 25523 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25523 4 1 1 "Average Difference" CA 8 1.210 -1.041 0.659 25523 5 1 1 "Average Difference" CB 7 1.336 -1.047 0.895 25523 6 1 1 "Average Difference" HN 7 0.467 -0.200 0.455 25523 7 1 2 "Average Difference" N 7 2.298 -1.079 2.191 25523 8 1 2 "Average Difference" HA 9 0.295 -0.186 0.242 25523 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25523 10 1 2 "Average Difference" CA 8 1.119 -0.899 0.712 25523 11 1 2 "Average Difference" CB 7 1.455 -1.188 0.908 25523 12 1 2 "Average Difference" HN 7 0.388 -0.161 0.382 25523 13 1 3 "Average Difference" N 7 1.721 -0.479 1.785 25523 14 1 3 "Average Difference" HA 9 0.262 -0.120 0.247 25523 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25523 16 1 3 "Average Difference" CA 8 1.270 -1.074 0.725 25523 17 1 3 "Average Difference" CB 7 1.383 -1.111 0.891 25523 18 1 3 "Average Difference" HN 7 0.383 -0.159 0.377 25523 19 1 4 "Average Difference" N 7 1.687 -0.544 1.724 25523 20 1 4 "Average Difference" HA 9 0.264 -0.146 0.234 25523 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25523 22 1 4 "Average Difference" CA 8 1.484 -1.196 0.938 25523 23 1 4 "Average Difference" CB 7 1.377 -1.112 0.877 25523 24 1 4 "Average Difference" HN 7 0.481 -0.218 0.463 25523 25 1 5 "Average Difference" N 7 1.981 -0.316 2.113 25523 26 1 5 "Average Difference" HA 9 0.266 -0.145 0.236 25523 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25523 28 1 5 "Average Difference" CA 8 1.110 -0.991 0.534 25523 29 1 5 "Average Difference" CB 7 1.425 -1.149 0.910 25523 30 1 5 "Average Difference" HN 7 0.474 -0.207 0.461 25523 31 1 6 "Average Difference" N 7 1.664 -0.453 1.730 25523 32 1 6 "Average Difference" HA 9 0.263 -0.139 0.238 25523 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25523 34 1 6 "Average Difference" CA 8 1.191 -1.029 0.641 25523 35 1 6 "Average Difference" CB 7 1.328 -1.024 0.914 25523 36 1 6 "Average Difference" HN 7 0.436 -0.121 0.453 25523 37 1 7 "Average Difference" N 7 2.148 -0.584 2.232 25523 38 1 7 "Average Difference" HA 9 0.354 -0.029 0.374 25523 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25523 40 1 7 "Average Difference" CA 8 1.566 -1.272 0.977 25523 41 1 7 "Average Difference" CB 7 1.350 -0.525 1.343 25523 42 1 7 "Average Difference" HN 7 0.413 -0.053 0.442 25523 43 1 8 "Average Difference" N 7 2.184 -0.928 2.135 25523 44 1 8 "Average Difference" HA 9 0.278 -0.073 0.284 25523 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25523 46 1 8 "Average Difference" CA 8 1.572 -1.231 1.046 25523 47 1 8 "Average Difference" CB 7 1.210 -0.676 1.084 25523 48 1 8 "Average Difference" HN 7 0.474 -0.163 0.481 25523 49 1 9 "Average Difference" N 7 1.904 -0.311 2.028 25523 50 1 9 "Average Difference" HA 9 0.259 -0.127 0.239 25523 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25523 52 1 9 "Average Difference" CA 8 1.201 -1.068 0.588 25523 53 1 9 "Average Difference" CB 7 1.263 -0.936 0.916 25523 54 1 9 "Average Difference" HN 7 0.445 -0.095 0.469 25523 55 1 10 "Average Difference" N 7 1.799 -0.450 1.881 25523 56 1 10 "Average Difference" HA 9 0.269 -0.159 0.231 25523 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25523 58 1 10 "Average Difference" CA 8 1.260 -1.084 0.686 25523 59 1 10 "Average Difference" CB 7 1.623 -1.314 1.029 25523 60 1 10 "Average Difference" HN 7 0.521 -0.237 0.501 25523 61 1 11 "Average Difference" N 7 1.389 -0.271 1.472 25523 62 1 11 "Average Difference" HA 9 0.261 -0.103 0.254 25523 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25523 64 1 11 "Average Difference" CA 8 1.198 -1.082 0.551 25523 65 1 11 "Average Difference" CB 7 1.204 -0.866 0.903 25523 66 1 11 "Average Difference" HN 7 0.552 -0.238 0.538 25523 67 1 12 "Average Difference" N 7 2.466 -0.992 2.439 25523 68 1 12 "Average Difference" HA 9 0.286 -0.090 0.287 25523 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25523 70 1 12 "Average Difference" CA 8 1.521 -1.165 1.045 25523 71 1 12 "Average Difference" CB 7 1.261 -0.714 1.123 25523 72 1 12 "Average Difference" HN 7 0.462 -0.116 0.483 25523 73 1 13 "Average Difference" N 7 2.416 -0.868 2.435 25523 74 1 13 "Average Difference" HA 9 0.295 -0.192 0.237 25523 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25523 76 1 13 "Average Difference" CA 8 0.982 -0.878 0.468 25523 77 1 13 "Average Difference" CB 7 1.457 -1.211 0.874 25523 78 1 13 "Average Difference" HN 7 0.586 -0.250 0.572 25523 79 1 14 "Average Difference" N 7 1.589 -0.253 1.695 25523 80 1 14 "Average Difference" HA 9 0.264 -0.144 0.234 25523 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25523 82 1 14 "Average Difference" CA 8 1.276 -1.104 0.683 25523 83 1 14 "Average Difference" CB 7 1.489 -1.260 0.858 25523 84 1 14 "Average Difference" HN 7 0.438 -0.208 0.416 25523 85 1 15 "Average Difference" N 7 2.004 -0.719 2.021 25523 86 1 15 "Average Difference" HA 9 0.269 -0.154 0.234 25523 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25523 88 1 15 "Average Difference" CA 8 1.273 -1.092 0.700 25523 89 1 15 "Average Difference" CB 7 1.379 -1.081 0.924 25523 90 1 15 "Average Difference" HN 7 0.384 -0.116 0.396 25523 91 1 16 "Average Difference" N 7 1.925 -0.169 2.072 25523 92 1 16 "Average Difference" HA 9 0.275 -0.114 0.265 25523 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25523 94 1 16 "Average Difference" CA 8 1.200 -1.075 0.571 25523 95 1 16 "Average Difference" CB 7 1.440 -1.152 0.933 25523 96 1 16 "Average Difference" HN 7 0.421 -0.075 0.448 25523 97 1 17 "Average Difference" N 7 1.911 -0.399 2.019 25523 98 1 17 "Average Difference" HA 9 0.290 -0.077 0.296 25523 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25523 100 1 17 "Average Difference" CA 8 1.552 -1.178 1.080 25523 101 1 17 "Average Difference" CB 7 1.163 -0.657 1.037 25523 102 1 17 "Average Difference" HN 7 0.423 -0.239 0.376 25523 103 1 18 "Average Difference" N 7 1.656 -0.396 1.736 25523 104 1 18 "Average Difference" HA 9 0.282 -0.121 0.269 25523 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25523 106 1 18 "Average Difference" CA 8 1.441 -1.232 0.799 25523 107 1 18 "Average Difference" CB 7 1.350 -0.997 0.982 25523 108 1 18 "Average Difference" HN 7 0.417 -0.133 0.427 25523 109 1 19 "Average Difference" N 7 1.823 -0.600 1.859 25523 110 1 19 "Average Difference" HA 9 0.276 -0.143 0.250 25523 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25523 112 1 19 "Average Difference" CA 8 1.269 -1.119 0.641 25523 113 1 19 "Average Difference" CB 7 1.415 -1.200 0.811 25523 114 1 19 "Average Difference" HN 7 0.414 -0.149 0.417 25523 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 25523 _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 4.812 4.812 4.840 -0.028 25523 2 1 . 1 1 2 2 ASN CA C 2 54.129 54.129 52.871 1.258 25523 3 1 . 1 1 2 2 ASN CB C 2 39.951 39.951 39.071 0.880 25523 4 1 . 1 1 3 3 HIS N N 3 120.049 120.049 119.464 0.585 25523 5 1 . 1 1 3 3 HIS HA H 3 4.487 4.487 4.519 -0.032 25523 6 1 . 1 1 3 3 HIS CA C 3 58.720 58.720 56.201 2.519 25523 7 1 . 1 1 3 3 HIS CB C 3 30.895 30.895 30.818 0.077 25523 8 1 . 1 1 3 3 HIS H H 3 8.419 8.419 8.218 0.201 25523 9 1 . 1 1 4 4 TRP N N 4 121.004 121.004 119.062 1.942 25523 10 1 . 1 1 4 4 TRP HA H 4 4.525 4.525 4.557 -0.032 25523 11 1 . 1 1 4 4 TRP CA C 4 59.937 59.937 58.711 1.226 25523 12 1 . 1 1 4 4 TRP CB C 4 30.273 30.273 28.905 1.368 25523 13 1 . 1 1 4 4 TRP H H 4 7.918 7.918 8.538 -0.620 25523 14 1 . 1 1 5 5 ALA N N 5 123.774 123.774 122.291 1.483 25523 15 1 . 1 1 5 5 ALA HA H 5 4.198 4.198 3.487 0.711 25523 16 1 . 1 1 5 5 ALA CA C 5 55.160 55.160 53.671 1.489 25523 17 1 . 1 1 5 5 ALA CB C 5 19.363 19.363 17.493 1.870 25523 18 1 . 1 1 5 5 ALA H H 5 8.151 8.151 7.324 0.827 25523 19 1 . 1 1 6 6 VAL N N 6 117.022 117.022 116.197 0.825 25523 20 1 . 1 1 6 6 VAL HA H 6 3.865 3.865 3.684 0.181 25523 21 1 . 1 1 6 6 VAL CA C 6 65.755 65.755 64.945 0.810 25523 22 1 . 1 1 6 6 VAL CB C 6 33.183 33.183 31.126 2.057 25523 23 1 . 1 1 6 6 VAL H H 6 7.683 7.683 7.537 0.146 25523 24 1 . 1 1 7 7 GLY N N 7 107.885 107.885 107.620 0.265 25523 25 1 . 1 1 7 7 GLY CA C 7 47.040 47.040 46.489 0.551 25523 26 1 . 1 1 7 7 GLY H H 7 8.163 8.163 7.801 0.362 25523 27 1 . 1 1 8 8 HIS N N 8 116.927 116.927 120.252 -3.325 25523 28 1 . 1 1 8 8 HIS HA H 8 4.537 4.537 4.384 0.153 25523 29 1 . 1 1 8 8 HIS CA C 8 58.323 58.323 57.974 0.349 25523 30 1 . 1 1 8 8 HIS CB C 8 29.984 29.984 30.329 -0.345 25523 31 1 . 1 1 8 8 HIS H H 8 7.918 7.918 7.853 0.065 25523 32 1 . 1 1 9 9 LEU N N 9 121.038 121.038 119.019 2.019 25523 33 1 . 1 1 9 9 LEU HA H 9 4.314 4.314 4.067 0.247 25523 34 1 . 1 1 9 9 LEU CA C 9 57.346 57.346 56.785 0.561 25523 35 1 . 1 1 9 9 LEU CB C 9 43.478 43.478 42.305 1.173 25523 36 1 . 1 1 9 9 LEU H H 9 8.040 8.040 7.865 0.175 25523 stop_ save_