data_25524 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25524 _Entry.PDB_ID 2N0G 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 25524 _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 4.802 4.802 4.849 -0.047 25524 2 1 1 . 1 1 2 2 ASN CA C 2 54.527 54.527 53.360 1.167 25524 3 1 1 . 1 1 2 2 ASN CB C 2 39.538 39.538 38.768 0.770 25524 4 1 1 . 1 1 3 3 HIS N N 3 119.480 119.480 123.904 -4.424 25524 5 1 1 . 1 1 3 3 HIS HA H 3 4.470 4.470 4.719 -0.249 25524 6 1 1 . 1 1 3 3 HIS CA C 3 58.801 58.801 56.586 2.215 25524 7 1 1 . 1 1 3 3 HIS CB C 3 29.593 29.593 31.321 -1.728 25524 8 1 1 . 1 1 3 3 HIS H H 3 8.468 8.468 8.453 0.015 25524 9 1 1 . 1 1 4 4 TRP N N 4 120.668 120.668 122.278 -1.610 25524 10 1 1 . 1 1 4 4 TRP HA H 4 4.480 4.480 4.399 0.081 25524 11 1 1 . 1 1 4 4 TRP CA C 4 60.772 60.772 60.323 0.449 25524 12 1 1 . 1 1 4 4 TRP CB C 4 30.295 30.295 29.513 0.782 25524 13 1 1 . 1 1 4 4 TRP H H 4 8.045 8.045 8.708 -0.663 25524 14 1 1 . 1 1 5 5 ALA N N 5 123.184 123.184 120.738 2.446 25524 15 1 1 . 1 1 5 5 ALA HA H 5 4.163 4.163 4.319 -0.156 25524 16 1 1 . 1 1 5 5 ALA CA C 5 56.130 56.130 55.001 1.129 25524 17 1 1 . 1 1 5 5 ALA CB C 5 19.116 19.116 18.076 1.040 25524 18 1 1 . 1 1 5 5 ALA H H 5 8.024 8.024 8.308 -0.284 25524 19 1 1 . 1 1 6 6 VAL N N 6 117.130 117.130 117.889 -0.759 25524 20 1 1 . 1 1 6 6 VAL HA H 6 3.790 3.790 3.611 0.179 25524 21 1 1 . 1 1 6 6 VAL CA C 6 66.564 66.564 65.935 0.629 25524 22 1 1 . 1 1 6 6 VAL CB C 6 33.200 33.200 31.182 2.018 25524 23 1 1 . 1 1 6 6 VAL H H 6 7.741 7.741 8.030 -0.289 25524 24 1 1 . 1 1 7 7 GLY N N 7 106.931 106.931 106.812 0.119 25524 25 1 1 . 1 1 7 7 GLY CA C 7 47.124 47.124 46.822 0.302 25524 26 1 1 . 1 1 7 7 GLY H H 7 8.122 8.122 7.593 0.529 25524 27 1 1 . 1 1 8 8 HIS N N 8 115.776 115.776 118.838 -3.062 25524 28 1 1 . 1 1 8 8 HIS HA H 8 4.473 4.473 4.510 -0.037 25524 29 1 1 . 1 1 8 8 HIS CA C 8 59.237 59.237 56.793 2.444 25524 30 1 1 . 1 1 8 8 HIS CB C 8 29.453 29.453 30.162 -0.709 25524 31 1 1 . 1 1 8 8 HIS H H 8 7.753 7.753 7.715 0.038 25524 32 1 1 . 1 1 9 9 LEU N N 9 120.807 120.807 119.205 1.602 25524 33 1 1 . 1 1 9 9 LEU HA H 9 4.329 4.329 4.123 0.206 25524 34 1 1 . 1 1 9 9 LEU CA C 9 57.601 57.601 56.618 0.983 25524 35 1 1 . 1 1 9 9 LEU CB C 9 43.567 43.567 42.878 0.689 25524 36 1 1 . 1 1 9 9 LEU H H 9 8.021 8.021 7.682 0.339 25524 37 1 2 . 1 1 2 2 ASN HA H 2 4.802 4.802 4.818 -0.016 25524 38 1 2 . 1 1 2 2 ASN CA C 2 54.527 54.527 52.673 1.854 25524 39 1 2 . 1 1 2 2 ASN CB C 2 39.538 39.538 40.122 -0.584 25524 40 1 2 . 1 1 3 3 HIS N N 3 119.480 119.480 120.530 -1.050 25524 41 1 2 . 1 1 3 3 HIS HA H 3 4.470 4.470 4.409 0.061 25524 42 1 2 . 1 1 3 3 HIS CA C 3 58.801 58.801 58.494 0.307 25524 43 1 2 . 1 1 3 3 HIS CB C 3 29.593 29.593 30.048 -0.455 25524 44 1 2 . 1 1 3 3 HIS H H 3 8.468 8.468 8.524 -0.056 25524 45 1 2 . 1 1 4 4 TRP N N 4 120.668 120.668 120.104 0.564 25524 46 1 2 . 1 1 4 4 TRP HA H 4 4.480 4.480 4.164 0.316 25524 47 1 2 . 1 1 4 4 TRP CA C 4 60.772 60.772 60.049 0.723 25524 48 1 2 . 1 1 4 4 TRP CB C 4 30.295 30.295 29.221 1.074 25524 49 1 2 . 1 1 4 4 TRP H H 4 8.045 8.045 8.473 -0.428 25524 50 1 2 . 1 1 5 5 ALA N N 5 123.184 123.184 121.126 2.058 25524 51 1 2 . 1 1 5 5 ALA HA H 5 4.163 4.163 4.222 -0.059 25524 52 1 2 . 1 1 5 5 ALA CA C 5 56.130 56.130 54.808 1.322 25524 53 1 2 . 1 1 5 5 ALA CB C 5 19.116 19.116 18.355 0.760 25524 54 1 2 . 1 1 5 5 ALA H H 5 8.024 8.024 7.947 0.077 25524 55 1 2 . 1 1 6 6 VAL N N 6 117.130 117.130 118.529 -1.399 25524 56 1 2 . 1 1 6 6 VAL HA H 6 3.790 3.790 3.667 0.123 25524 57 1 2 . 1 1 6 6 VAL CA C 6 66.564 66.564 65.463 1.101 25524 58 1 2 . 1 1 6 6 VAL CB C 6 33.200 33.200 31.200 2.000 25524 59 1 2 . 1 1 6 6 VAL H H 6 7.741 7.741 7.570 0.171 25524 60 1 2 . 1 1 7 7 GLY N N 7 106.931 106.931 107.226 -0.295 25524 61 1 2 . 1 1 7 7 GLY CA C 7 47.124 47.124 46.994 0.130 25524 62 1 2 . 1 1 7 7 GLY H H 7 8.122 8.122 7.541 0.581 25524 63 1 2 . 1 1 8 8 HIS N N 8 115.776 115.776 119.176 -3.400 25524 64 1 2 . 1 1 8 8 HIS HA H 8 4.473 4.473 4.565 -0.092 25524 65 1 2 . 1 1 8 8 HIS CA C 8 59.237 59.237 57.207 2.030 25524 66 1 2 . 1 1 8 8 HIS CB C 8 29.453 29.453 30.443 -0.990 25524 67 1 2 . 1 1 8 8 HIS H H 8 7.753 7.753 7.544 0.209 25524 68 1 2 . 1 1 9 9 LEU N N 9 120.807 120.807 119.720 1.087 25524 69 1 2 . 1 1 9 9 LEU HA H 9 4.329 4.329 4.083 0.246 25524 70 1 2 . 1 1 9 9 LEU CA C 9 57.601 57.601 57.229 0.372 25524 71 1 2 . 1 1 9 9 LEU CB C 9 43.567 43.567 42.404 1.163 25524 72 1 2 . 1 1 9 9 LEU H H 9 8.021 8.021 7.685 0.336 25524 73 1 3 . 1 1 2 2 ASN HA H 2 4.802 4.802 5.164 -0.362 25524 74 1 3 . 1 1 2 2 ASN CA C 2 54.527 54.527 52.786 1.741 25524 75 1 3 . 1 1 2 2 ASN CB C 2 39.538 39.538 39.808 -0.270 25524 76 1 3 . 1 1 3 3 HIS N N 3 119.480 119.480 119.736 -0.256 25524 77 1 3 . 1 1 3 3 HIS HA H 3 4.470 4.470 4.333 0.137 25524 78 1 3 . 1 1 3 3 HIS CA C 3 58.801 58.801 59.225 -0.424 25524 79 1 3 . 1 1 3 3 HIS CB C 3 29.593 29.593 30.141 -0.548 25524 80 1 3 . 1 1 3 3 HIS H H 3 8.468 8.468 8.621 -0.153 25524 81 1 3 . 1 1 4 4 TRP N N 4 120.668 120.668 119.614 1.054 25524 82 1 3 . 1 1 4 4 TRP HA H 4 4.480 4.480 4.373 0.107 25524 83 1 3 . 1 1 4 4 TRP CA C 4 60.772 60.772 59.747 1.025 25524 84 1 3 . 1 1 4 4 TRP CB C 4 30.295 30.295 29.538 0.756 25524 85 1 3 . 1 1 4 4 TRP H H 4 8.045 8.045 8.202 -0.157 25524 86 1 3 . 1 1 5 5 ALA N N 5 123.184 123.184 121.419 1.765 25524 87 1 3 . 1 1 5 5 ALA HA H 5 4.163 4.163 4.280 -0.117 25524 88 1 3 . 1 1 5 5 ALA CA C 5 56.130 56.130 54.920 1.210 25524 89 1 3 . 1 1 5 5 ALA CB C 5 19.116 19.116 18.241 0.875 25524 90 1 3 . 1 1 5 5 ALA H H 5 8.024 8.024 7.655 0.369 25524 91 1 3 . 1 1 6 6 VAL N N 6 117.130 117.130 118.227 -1.097 25524 92 1 3 . 1 1 6 6 VAL HA H 6 3.790 3.790 3.622 0.168 25524 93 1 3 . 1 1 6 6 VAL CA C 6 66.564 66.564 66.456 0.108 25524 94 1 3 . 1 1 6 6 VAL CB C 6 33.200 33.200 31.144 2.056 25524 95 1 3 . 1 1 6 6 VAL H H 6 7.741 7.741 8.147 -0.406 25524 96 1 3 . 1 1 7 7 GLY N N 7 106.931 106.931 106.432 0.499 25524 97 1 3 . 1 1 7 7 GLY CA C 7 47.124 47.124 46.742 0.382 25524 98 1 3 . 1 1 7 7 GLY H H 7 8.122 8.122 7.650 0.472 25524 99 1 3 . 1 1 8 8 HIS N N 8 115.776 115.776 119.836 -4.060 25524 100 1 3 . 1 1 8 8 HIS HA H 8 4.473 4.473 4.530 -0.057 25524 101 1 3 . 1 1 8 8 HIS CA C 8 59.237 59.237 57.269 1.968 25524 102 1 3 . 1 1 8 8 HIS CB C 8 29.453 29.453 30.718 -1.265 25524 103 1 3 . 1 1 8 8 HIS H H 8 7.753 7.753 7.715 0.038 25524 104 1 3 . 1 1 9 9 LEU N N 9 120.807 120.807 119.215 1.592 25524 105 1 3 . 1 1 9 9 LEU HA H 9 4.329 4.329 4.077 0.252 25524 106 1 3 . 1 1 9 9 LEU CA C 9 57.601 57.601 57.215 0.386 25524 107 1 3 . 1 1 9 9 LEU CB C 9 43.567 43.567 42.687 0.880 25524 108 1 3 . 1 1 9 9 LEU H H 9 8.021 8.021 8.212 -0.191 25524 109 1 4 . 1 1 2 2 ASN HA H 2 4.802 4.802 5.048 -0.246 25524 110 1 4 . 1 1 2 2 ASN CA C 2 54.527 54.527 53.677 0.850 25524 111 1 4 . 1 1 2 2 ASN CB C 2 39.538 39.538 39.758 -0.220 25524 112 1 4 . 1 1 3 3 HIS N N 3 119.480 119.480 120.859 -1.379 25524 113 1 4 . 1 1 3 3 HIS HA H 3 4.470 4.470 4.653 -0.183 25524 114 1 4 . 1 1 3 3 HIS CA C 3 58.801 58.801 56.197 2.604 25524 115 1 4 . 1 1 3 3 HIS CB C 3 29.593 29.593 31.170 -1.577 25524 116 1 4 . 1 1 3 3 HIS H H 3 8.468 8.468 8.581 -0.113 25524 117 1 4 . 1 1 4 4 TRP N N 4 120.668 120.668 121.746 -1.078 25524 118 1 4 . 1 1 4 4 TRP HA H 4 4.480 4.480 4.374 0.106 25524 119 1 4 . 1 1 4 4 TRP CA C 4 60.772 60.772 59.980 0.792 25524 120 1 4 . 1 1 4 4 TRP CB C 4 30.295 30.295 29.439 0.856 25524 121 1 4 . 1 1 4 4 TRP H H 4 8.045 8.045 8.373 -0.328 25524 122 1 4 . 1 1 5 5 ALA N N 5 123.184 123.184 120.530 2.654 25524 123 1 4 . 1 1 5 5 ALA HA H 5 4.163 4.163 4.194 -0.031 25524 124 1 4 . 1 1 5 5 ALA CA C 5 56.130 56.130 54.725 1.405 25524 125 1 4 . 1 1 5 5 ALA CB C 5 19.116 19.116 18.241 0.875 25524 126 1 4 . 1 1 5 5 ALA H H 5 8.024 8.024 8.410 -0.386 25524 127 1 4 . 1 1 6 6 VAL N N 6 117.130 117.130 118.134 -1.004 25524 128 1 4 . 1 1 6 6 VAL HA H 6 3.790 3.790 3.602 0.188 25524 129 1 4 . 1 1 6 6 VAL CA C 6 66.564 66.564 64.531 2.033 25524 130 1 4 . 1 1 6 6 VAL CB C 6 33.200 33.200 30.470 2.730 25524 131 1 4 . 1 1 6 6 VAL H H 6 7.741 7.741 7.857 -0.116 25524 132 1 4 . 1 1 7 7 GLY N N 7 106.931 106.931 107.759 -0.828 25524 133 1 4 . 1 1 7 7 GLY CA C 7 47.124 47.124 47.163 -0.039 25524 134 1 4 . 1 1 7 7 GLY H H 7 8.122 8.122 7.751 0.371 25524 135 1 4 . 1 1 8 8 HIS N N 8 115.776 115.776 118.666 -2.890 25524 136 1 4 . 1 1 8 8 HIS HA H 8 4.473 4.473 4.601 -0.128 25524 137 1 4 . 1 1 8 8 HIS CA C 8 59.237 59.237 56.503 2.734 25524 138 1 4 . 1 1 8 8 HIS CB C 8 29.453 29.453 30.111 -0.658 25524 139 1 4 . 1 1 8 8 HIS H H 8 7.753 7.753 7.529 0.224 25524 140 1 4 . 1 1 9 9 LEU N N 9 120.807 120.807 119.487 1.320 25524 141 1 4 . 1 1 9 9 LEU HA H 9 4.329 4.329 4.162 0.167 25524 142 1 4 . 1 1 9 9 LEU CA C 9 57.601 57.601 56.602 0.999 25524 143 1 4 . 1 1 9 9 LEU CB C 9 43.567 43.567 42.414 1.153 25524 144 1 4 . 1 1 9 9 LEU H H 9 8.021 8.021 7.516 0.505 25524 145 1 5 . 1 1 2 2 ASN HA H 2 4.802 4.802 5.014 -0.212 25524 146 1 5 . 1 1 2 2 ASN CA C 2 54.527 54.527 52.348 2.179 25524 147 1 5 . 1 1 2 2 ASN CB C 2 39.538 39.538 38.901 0.636 25524 148 1 5 . 1 1 3 3 HIS N N 3 119.480 119.480 122.747 -3.267 25524 149 1 5 . 1 1 3 3 HIS HA H 3 4.470 4.470 4.300 0.170 25524 150 1 5 . 1 1 3 3 HIS CA C 3 58.801 58.801 59.953 -1.152 25524 151 1 5 . 1 1 3 3 HIS CB C 3 29.593 29.593 30.378 -0.785 25524 152 1 5 . 1 1 3 3 HIS H H 3 8.468 8.468 8.577 -0.109 25524 153 1 5 . 1 1 4 4 TRP N N 4 120.668 120.668 119.953 0.715 25524 154 1 5 . 1 1 4 4 TRP HA H 4 4.480 4.480 4.276 0.204 25524 155 1 5 . 1 1 4 4 TRP CA C 4 60.772 60.772 59.352 1.420 25524 156 1 5 . 1 1 4 4 TRP CB C 4 30.295 30.295 29.420 0.875 25524 157 1 5 . 1 1 4 4 TRP H H 4 8.045 8.045 8.149 -0.104 25524 158 1 5 . 1 1 5 5 ALA N N 5 123.184 123.184 120.748 2.436 25524 159 1 5 . 1 1 5 5 ALA HA H 5 4.163 4.163 4.351 -0.188 25524 160 1 5 . 1 1 5 5 ALA CA C 5 56.130 56.130 54.810 1.320 25524 161 1 5 . 1 1 5 5 ALA CB C 5 19.116 19.116 18.688 0.428 25524 162 1 5 . 1 1 5 5 ALA H H 5 8.024 8.024 8.095 -0.071 25524 163 1 5 . 1 1 6 6 VAL N N 6 117.130 117.130 118.701 -1.571 25524 164 1 5 . 1 1 6 6 VAL HA H 6 3.790 3.790 3.638 0.152 25524 165 1 5 . 1 1 6 6 VAL CA C 6 66.564 66.564 66.128 0.436 25524 166 1 5 . 1 1 6 6 VAL CB C 6 33.200 33.200 30.972 2.228 25524 167 1 5 . 1 1 6 6 VAL H H 6 7.741 7.741 8.831 -1.090 25524 168 1 5 . 1 1 7 7 GLY N N 7 106.931 106.931 106.497 0.434 25524 169 1 5 . 1 1 7 7 GLY CA C 7 47.124 47.124 47.077 0.047 25524 170 1 5 . 1 1 7 7 GLY H H 7 8.122 8.122 7.719 0.403 25524 171 1 5 . 1 1 8 8 HIS N N 8 115.776 115.776 118.327 -2.551 25524 172 1 5 . 1 1 8 8 HIS HA H 8 4.473 4.473 4.561 -0.088 25524 173 1 5 . 1 1 8 8 HIS CA C 8 59.237 59.237 57.777 1.460 25524 174 1 5 . 1 1 8 8 HIS CB C 8 29.453 29.453 31.025 -1.572 25524 175 1 5 . 1 1 8 8 HIS H H 8 7.753 7.753 7.878 -0.125 25524 176 1 5 . 1 1 9 9 LEU N N 9 120.807 120.807 119.291 1.516 25524 177 1 5 . 1 1 9 9 LEU HA H 9 4.329 4.329 4.182 0.147 25524 178 1 5 . 1 1 9 9 LEU CA C 9 57.601 57.601 56.431 1.170 25524 179 1 5 . 1 1 9 9 LEU CB C 9 43.567 43.567 42.343 1.224 25524 180 1 5 . 1 1 9 9 LEU H H 9 8.021 8.021 7.532 0.489 25524 181 1 6 . 1 1 2 2 ASN HA H 2 4.802 4.802 4.995 -0.193 25524 182 1 6 . 1 1 2 2 ASN CA C 2 54.527 54.527 53.145 1.382 25524 183 1 6 . 1 1 2 2 ASN CB C 2 39.538 39.538 38.885 0.653 25524 184 1 6 . 1 1 3 3 HIS N N 3 119.480 119.480 121.927 -2.447 25524 185 1 6 . 1 1 3 3 HIS HA H 3 4.470 4.470 4.688 -0.218 25524 186 1 6 . 1 1 3 3 HIS CA C 3 58.801 58.801 56.568 2.233 25524 187 1 6 . 1 1 3 3 HIS CB C 3 29.593 29.593 31.299 -1.706 25524 188 1 6 . 1 1 3 3 HIS H H 3 8.468 8.468 8.466 0.002 25524 189 1 6 . 1 1 4 4 TRP N N 4 120.668 120.668 122.002 -1.334 25524 190 1 6 . 1 1 4 4 TRP HA H 4 4.480 4.480 4.330 0.150 25524 191 1 6 . 1 1 4 4 TRP CA C 4 60.772 60.772 61.206 -0.434 25524 192 1 6 . 1 1 4 4 TRP CB C 4 30.295 30.295 29.678 0.617 25524 193 1 6 . 1 1 4 4 TRP H H 4 8.045 8.045 8.741 -0.696 25524 194 1 6 . 1 1 5 5 ALA N N 5 123.184 123.184 120.705 2.479 25524 195 1 6 . 1 1 5 5 ALA HA H 5 4.163 4.163 4.253 -0.090 25524 196 1 6 . 1 1 5 5 ALA CA C 5 56.130 56.130 55.185 0.945 25524 197 1 6 . 1 1 5 5 ALA CB C 5 19.116 19.116 18.253 0.863 25524 198 1 6 . 1 1 5 5 ALA H H 5 8.024 8.024 8.897 -0.873 25524 199 1 6 . 1 1 6 6 VAL N N 6 117.130 117.130 118.392 -1.262 25524 200 1 6 . 1 1 6 6 VAL HA H 6 3.790 3.790 3.679 0.111 25524 201 1 6 . 1 1 6 6 VAL CA C 6 66.564 66.564 65.565 0.999 25524 202 1 6 . 1 1 6 6 VAL CB C 6 33.200 33.200 31.350 1.850 25524 203 1 6 . 1 1 6 6 VAL H H 6 7.741 7.741 7.947 -0.206 25524 204 1 6 . 1 1 7 7 GLY N N 7 106.931 106.931 106.636 0.295 25524 205 1 6 . 1 1 7 7 GLY CA C 7 47.124 47.124 46.867 0.257 25524 206 1 6 . 1 1 7 7 GLY H H 7 8.122 8.122 7.889 0.233 25524 207 1 6 . 1 1 8 8 HIS N N 8 115.776 115.776 120.441 -4.665 25524 208 1 6 . 1 1 8 8 HIS HA H 8 4.473 4.473 4.626 -0.153 25524 209 1 6 . 1 1 8 8 HIS CA C 8 59.237 59.237 57.081 2.156 25524 210 1 6 . 1 1 8 8 HIS CB C 8 29.453 29.453 31.154 -1.701 25524 211 1 6 . 1 1 8 8 HIS H H 8 7.753 7.753 7.802 -0.049 25524 212 1 6 . 1 1 9 9 LEU N N 9 120.807 120.807 120.381 0.426 25524 213 1 6 . 1 1 9 9 LEU HA H 9 4.329 4.329 4.159 0.170 25524 214 1 6 . 1 1 9 9 LEU CA C 9 57.601 57.601 56.236 1.365 25524 215 1 6 . 1 1 9 9 LEU CB C 9 43.567 43.567 42.288 1.278 25524 216 1 6 . 1 1 9 9 LEU H H 9 8.021 8.021 8.427 -0.406 25524 217 1 7 . 1 1 2 2 ASN HA H 2 4.802 4.802 4.976 -0.174 25524 218 1 7 . 1 1 2 2 ASN CA C 2 54.527 54.527 51.937 2.590 25524 219 1 7 . 1 1 2 2 ASN CB C 2 39.538 39.538 39.059 0.479 25524 220 1 7 . 1 1 3 3 HIS N N 3 119.480 119.480 118.746 0.734 25524 221 1 7 . 1 1 3 3 HIS HA H 3 4.470 4.470 4.359 0.111 25524 222 1 7 . 1 1 3 3 HIS CA C 3 58.801 58.801 58.814 -0.013 25524 223 1 7 . 1 1 3 3 HIS CB C 3 29.593 29.593 30.154 -0.561 25524 224 1 7 . 1 1 3 3 HIS H H 3 8.468 8.468 8.490 -0.022 25524 225 1 7 . 1 1 4 4 TRP N N 4 120.668 120.668 120.271 0.397 25524 226 1 7 . 1 1 4 4 TRP HA H 4 4.480 4.480 4.298 0.182 25524 227 1 7 . 1 1 4 4 TRP CA C 4 60.772 60.772 60.303 0.469 25524 228 1 7 . 1 1 4 4 TRP CB C 4 30.295 30.295 29.377 0.918 25524 229 1 7 . 1 1 4 4 TRP H H 4 8.045 8.045 8.401 -0.356 25524 230 1 7 . 1 1 5 5 ALA N N 5 123.184 123.184 121.370 1.814 25524 231 1 7 . 1 1 5 5 ALA HA H 5 4.163 4.163 4.077 0.086 25524 232 1 7 . 1 1 5 5 ALA CA C 5 56.130 56.130 54.748 1.382 25524 233 1 7 . 1 1 5 5 ALA CB C 5 19.116 19.116 17.999 1.117 25524 234 1 7 . 1 1 5 5 ALA H H 5 8.024 8.024 7.828 0.196 25524 235 1 7 . 1 1 6 6 VAL N N 6 117.130 117.130 118.109 -0.979 25524 236 1 7 . 1 1 6 6 VAL HA H 6 3.790 3.790 3.573 0.217 25524 237 1 7 . 1 1 6 6 VAL CA C 6 66.564 66.564 65.845 0.719 25524 238 1 7 . 1 1 6 6 VAL CB C 6 33.200 33.200 30.904 2.296 25524 239 1 7 . 1 1 6 6 VAL H H 6 7.741 7.741 7.482 0.259 25524 240 1 7 . 1 1 7 7 GLY N N 7 106.931 106.931 107.200 -0.269 25524 241 1 7 . 1 1 7 7 GLY CA C 7 47.124 47.124 47.220 -0.096 25524 242 1 7 . 1 1 7 7 GLY H H 7 8.122 8.122 7.598 0.524 25524 243 1 7 . 1 1 8 8 HIS N N 8 115.776 115.776 118.346 -2.570 25524 244 1 7 . 1 1 8 8 HIS HA H 8 4.473 4.473 4.575 -0.102 25524 245 1 7 . 1 1 8 8 HIS CA C 8 59.237 59.237 57.257 1.980 25524 246 1 7 . 1 1 8 8 HIS CB C 8 29.453 29.453 30.478 -1.025 25524 247 1 7 . 1 1 8 8 HIS H H 8 7.753 7.753 7.988 -0.235 25524 248 1 7 . 1 1 9 9 LEU N N 9 120.807 120.807 119.681 1.126 25524 249 1 7 . 1 1 9 9 LEU HA H 9 4.329 4.329 4.168 0.162 25524 250 1 7 . 1 1 9 9 LEU CA C 9 57.601 57.601 57.106 0.495 25524 251 1 7 . 1 1 9 9 LEU CB C 9 43.567 43.567 42.406 1.161 25524 252 1 7 . 1 1 9 9 LEU H H 9 8.021 8.021 7.578 0.443 25524 253 1 8 . 1 1 2 2 ASN HA H 2 4.802 4.802 4.908 -0.106 25524 254 1 8 . 1 1 2 2 ASN CA C 2 54.527 54.527 52.527 2.000 25524 255 1 8 . 1 1 2 2 ASN CB C 2 39.538 39.538 39.277 0.261 25524 256 1 8 . 1 1 3 3 HIS N N 3 119.480 119.480 120.175 -0.695 25524 257 1 8 . 1 1 3 3 HIS HA H 3 4.470 4.470 4.296 0.174 25524 258 1 8 . 1 1 3 3 HIS CA C 3 58.801 58.801 58.453 0.348 25524 259 1 8 . 1 1 3 3 HIS CB C 3 29.593 29.593 29.920 -0.327 25524 260 1 8 . 1 1 3 3 HIS H H 3 8.468 8.468 8.740 -0.272 25524 261 1 8 . 1 1 4 4 TRP N N 4 120.668 120.668 120.802 -0.134 25524 262 1 8 . 1 1 4 4 TRP HA H 4 4.480 4.480 4.264 0.216 25524 263 1 8 . 1 1 4 4 TRP CA C 4 60.772 60.772 60.270 0.502 25524 264 1 8 . 1 1 4 4 TRP CB C 4 30.295 30.295 29.224 1.071 25524 265 1 8 . 1 1 4 4 TRP H H 4 8.045 8.045 8.389 -0.344 25524 266 1 8 . 1 1 5 5 ALA N N 5 123.184 123.184 119.592 3.592 25524 267 1 8 . 1 1 5 5 ALA HA H 5 4.163 4.163 4.379 -0.216 25524 268 1 8 . 1 1 5 5 ALA CA C 5 56.130 56.130 54.511 1.619 25524 269 1 8 . 1 1 5 5 ALA CB C 5 19.116 19.116 18.835 0.281 25524 270 1 8 . 1 1 5 5 ALA H H 5 8.024 8.024 7.700 0.324 25524 271 1 8 . 1 1 6 6 VAL N N 6 117.130 117.130 118.675 -1.545 25524 272 1 8 . 1 1 6 6 VAL HA H 6 3.790 3.790 3.680 0.110 25524 273 1 8 . 1 1 6 6 VAL CA C 6 66.564 66.564 65.307 1.257 25524 274 1 8 . 1 1 6 6 VAL CB C 6 33.200 33.200 30.588 2.612 25524 275 1 8 . 1 1 6 6 VAL H H 6 7.741 7.741 7.833 -0.092 25524 276 1 8 . 1 1 7 7 GLY N N 7 106.931 106.931 107.367 -0.436 25524 277 1 8 . 1 1 7 7 GLY CA C 7 47.124 47.124 47.131 -0.007 25524 278 1 8 . 1 1 7 7 GLY H H 7 8.122 8.122 8.247 -0.125 25524 279 1 8 . 1 1 8 8 HIS N N 8 115.776 115.776 118.129 -2.353 25524 280 1 8 . 1 1 8 8 HIS HA H 8 4.473 4.473 4.708 -0.235 25524 281 1 8 . 1 1 8 8 HIS CA C 8 59.237 59.237 55.886 3.351 25524 282 1 8 . 1 1 8 8 HIS CB C 8 29.453 29.453 30.998 -1.545 25524 283 1 8 . 1 1 8 8 HIS H H 8 7.753 7.753 7.768 -0.015 25524 284 1 8 . 1 1 9 9 LEU N N 9 120.807 120.807 120.194 0.613 25524 285 1 8 . 1 1 9 9 LEU HA H 9 4.329 4.329 4.149 0.180 25524 286 1 8 . 1 1 9 9 LEU CA C 9 57.601 57.601 56.203 1.398 25524 287 1 8 . 1 1 9 9 LEU CB C 9 43.567 43.567 42.207 1.360 25524 288 1 8 . 1 1 9 9 LEU H H 9 8.021 8.021 7.885 0.136 25524 289 1 9 . 1 1 2 2 ASN HA H 2 4.802 4.802 4.932 -0.130 25524 290 1 9 . 1 1 2 2 ASN CA C 2 54.527 54.527 52.648 1.879 25524 291 1 9 . 1 1 2 2 ASN CB C 2 39.538 39.538 39.725 -0.187 25524 292 1 9 . 1 1 3 3 HIS N N 3 119.480 119.480 120.269 -0.789 25524 293 1 9 . 1 1 3 3 HIS HA H 3 4.470 4.470 4.324 0.146 25524 294 1 9 . 1 1 3 3 HIS CA C 3 58.801 58.801 59.518 -0.717 25524 295 1 9 . 1 1 3 3 HIS CB C 3 29.593 29.593 30.058 -0.465 25524 296 1 9 . 1 1 3 3 HIS H H 3 8.468 8.468 8.540 -0.072 25524 297 1 9 . 1 1 4 4 TRP N N 4 120.668 120.668 119.498 1.170 25524 298 1 9 . 1 1 4 4 TRP HA H 4 4.480 4.480 4.312 0.168 25524 299 1 9 . 1 1 4 4 TRP CA C 4 60.772 60.772 59.710 1.062 25524 300 1 9 . 1 1 4 4 TRP CB C 4 30.295 30.295 29.439 0.856 25524 301 1 9 . 1 1 4 4 TRP H H 4 8.045 8.045 8.257 -0.212 25524 302 1 9 . 1 1 5 5 ALA N N 5 123.184 123.184 122.124 1.060 25524 303 1 9 . 1 1 5 5 ALA HA H 5 4.163 4.163 4.177 -0.014 25524 304 1 9 . 1 1 5 5 ALA CA C 5 56.130 56.130 54.852 1.278 25524 305 1 9 . 1 1 5 5 ALA CB C 5 19.116 19.116 18.226 0.890 25524 306 1 9 . 1 1 5 5 ALA H H 5 8.024 8.024 7.871 0.153 25524 307 1 9 . 1 1 6 6 VAL N N 6 117.130 117.130 118.007 -0.877 25524 308 1 9 . 1 1 6 6 VAL HA H 6 3.790 3.790 3.639 0.151 25524 309 1 9 . 1 1 6 6 VAL CA C 6 66.564 66.564 65.938 0.626 25524 310 1 9 . 1 1 6 6 VAL CB C 6 33.200 33.200 31.030 2.170 25524 311 1 9 . 1 1 6 6 VAL H H 6 7.741 7.741 7.689 0.052 25524 312 1 9 . 1 1 7 7 GLY N N 7 106.931 106.931 107.490 -0.559 25524 313 1 9 . 1 1 7 7 GLY CA C 7 47.124 47.124 47.339 -0.215 25524 314 1 9 . 1 1 7 7 GLY H H 7 8.122 8.122 7.654 0.468 25524 315 1 9 . 1 1 8 8 HIS N N 8 115.776 115.776 118.403 -2.627 25524 316 1 9 . 1 1 8 8 HIS HA H 8 4.473 4.473 4.509 -0.036 25524 317 1 9 . 1 1 8 8 HIS CA C 8 59.237 59.237 57.828 1.409 25524 318 1 9 . 1 1 8 8 HIS CB C 8 29.453 29.453 30.325 -0.872 25524 319 1 9 . 1 1 8 8 HIS H H 8 7.753 7.753 7.843 -0.090 25524 320 1 9 . 1 1 9 9 LEU N N 9 120.807 120.807 119.864 0.943 25524 321 1 9 . 1 1 9 9 LEU HA H 9 4.329 4.329 4.104 0.225 25524 322 1 9 . 1 1 9 9 LEU CA C 9 57.601 57.601 57.088 0.513 25524 323 1 9 . 1 1 9 9 LEU CB C 9 43.567 43.567 42.271 1.296 25524 324 1 9 . 1 1 9 9 LEU H H 9 8.021 8.021 7.575 0.446 25524 325 1 10 . 1 1 2 2 ASN HA H 2 4.802 4.802 5.028 -0.226 25524 326 1 10 . 1 1 2 2 ASN CA C 2 54.527 54.527 52.996 1.531 25524 327 1 10 . 1 1 2 2 ASN CB C 2 39.538 39.538 38.976 0.562 25524 328 1 10 . 1 1 3 3 HIS N N 3 119.480 119.480 122.561 -3.081 25524 329 1 10 . 1 1 3 3 HIS HA H 3 4.470 4.470 4.659 -0.189 25524 330 1 10 . 1 1 3 3 HIS CA C 3 58.801 58.801 56.746 2.055 25524 331 1 10 . 1 1 3 3 HIS CB C 3 29.593 29.593 31.061 -1.468 25524 332 1 10 . 1 1 3 3 HIS H H 3 8.468 8.468 8.646 -0.178 25524 333 1 10 . 1 1 4 4 TRP N N 4 120.668 120.668 121.843 -1.175 25524 334 1 10 . 1 1 4 4 TRP HA H 4 4.480 4.480 4.263 0.217 25524 335 1 10 . 1 1 4 4 TRP CA C 4 60.772 60.772 60.958 -0.186 25524 336 1 10 . 1 1 4 4 TRP CB C 4 30.295 30.295 29.738 0.557 25524 337 1 10 . 1 1 4 4 TRP H H 4 8.045 8.045 8.665 -0.620 25524 338 1 10 . 1 1 5 5 ALA N N 5 123.184 123.184 120.746 2.438 25524 339 1 10 . 1 1 5 5 ALA HA H 5 4.163 4.163 4.195 -0.032 25524 340 1 10 . 1 1 5 5 ALA CA C 5 56.130 56.130 55.233 0.897 25524 341 1 10 . 1 1 5 5 ALA CB C 5 19.116 19.116 17.958 1.158 25524 342 1 10 . 1 1 5 5 ALA H H 5 8.024 8.024 8.523 -0.499 25524 343 1 10 . 1 1 6 6 VAL N N 6 117.130 117.130 118.187 -1.057 25524 344 1 10 . 1 1 6 6 VAL HA H 6 3.790 3.790 3.713 0.077 25524 345 1 10 . 1 1 6 6 VAL CA C 6 66.564 66.564 66.093 0.471 25524 346 1 10 . 1 1 6 6 VAL CB C 6 33.200 33.200 31.488 1.712 25524 347 1 10 . 1 1 6 6 VAL H H 6 7.741 7.741 7.583 0.158 25524 348 1 10 . 1 1 7 7 GLY N N 7 106.931 106.931 106.702 0.229 25524 349 1 10 . 1 1 7 7 GLY CA C 7 47.124 47.124 47.081 0.043 25524 350 1 10 . 1 1 7 7 GLY H H 7 8.122 8.122 7.738 0.384 25524 351 1 10 . 1 1 8 8 HIS N N 8 115.776 115.776 119.186 -3.410 25524 352 1 10 . 1 1 8 8 HIS HA H 8 4.473 4.473 4.615 -0.142 25524 353 1 10 . 1 1 8 8 HIS CA C 8 59.237 59.237 56.905 2.332 25524 354 1 10 . 1 1 8 8 HIS CB C 8 29.453 29.453 31.236 -1.783 25524 355 1 10 . 1 1 8 8 HIS H H 8 7.753 7.753 7.698 0.055 25524 356 1 10 . 1 1 9 9 LEU N N 9 120.807 120.807 119.998 0.809 25524 357 1 10 . 1 1 9 9 LEU HA H 9 4.329 4.329 4.210 0.119 25524 358 1 10 . 1 1 9 9 LEU CA C 9 57.601 57.601 56.274 1.327 25524 359 1 10 . 1 1 9 9 LEU CB C 9 43.567 43.567 42.537 1.030 25524 360 1 10 . 1 1 9 9 LEU H H 9 8.021 8.021 8.124 -0.103 25524 361 1 11 . 1 1 2 2 ASN HA H 2 4.802 4.802 4.923 -0.121 25524 362 1 11 . 1 1 2 2 ASN CA C 2 54.527 54.527 52.661 1.866 25524 363 1 11 . 1 1 2 2 ASN CB C 2 39.538 39.538 38.453 1.085 25524 364 1 11 . 1 1 3 3 HIS N N 3 119.480 119.480 121.955 -2.475 25524 365 1 11 . 1 1 3 3 HIS HA H 3 4.470 4.470 4.677 -0.207 25524 366 1 11 . 1 1 3 3 HIS CA C 3 58.801 58.801 56.033 2.768 25524 367 1 11 . 1 1 3 3 HIS CB C 3 29.593 29.593 31.479 -1.886 25524 368 1 11 . 1 1 3 3 HIS H H 3 8.468 8.468 8.338 0.130 25524 369 1 11 . 1 1 4 4 TRP N N 4 120.668 120.668 121.668 -1.000 25524 370 1 11 . 1 1 4 4 TRP HA H 4 4.480 4.480 4.162 0.318 25524 371 1 11 . 1 1 4 4 TRP CA C 4 60.772 60.772 60.280 0.492 25524 372 1 11 . 1 1 4 4 TRP CB C 4 30.295 30.295 29.733 0.562 25524 373 1 11 . 1 1 4 4 TRP H H 4 8.045 8.045 8.642 -0.597 25524 374 1 11 . 1 1 5 5 ALA N N 5 123.184 123.184 121.497 1.687 25524 375 1 11 . 1 1 5 5 ALA HA H 5 4.163 4.163 4.231 -0.068 25524 376 1 11 . 1 1 5 5 ALA CA C 5 56.130 56.130 54.959 1.171 25524 377 1 11 . 1 1 5 5 ALA CB C 5 19.116 19.116 17.989 1.127 25524 378 1 11 . 1 1 5 5 ALA H H 5 8.024 8.024 8.583 -0.559 25524 379 1 11 . 1 1 6 6 VAL N N 6 117.130 117.130 117.580 -0.450 25524 380 1 11 . 1 1 6 6 VAL HA H 6 3.790 3.790 3.834 -0.044 25524 381 1 11 . 1 1 6 6 VAL CA C 6 66.564 66.564 65.197 1.367 25524 382 1 11 . 1 1 6 6 VAL CB C 6 33.200 33.200 31.476 1.724 25524 383 1 11 . 1 1 6 6 VAL H H 6 7.741 7.741 7.258 0.483 25524 384 1 11 . 1 1 7 7 GLY N N 7 106.931 106.931 107.564 -0.633 25524 385 1 11 . 1 1 7 7 GLY CA C 7 47.124 47.124 47.037 0.087 25524 386 1 11 . 1 1 7 7 GLY H H 7 8.122 8.122 7.800 0.322 25524 387 1 11 . 1 1 8 8 HIS N N 8 115.776 115.776 119.006 -3.230 25524 388 1 11 . 1 1 8 8 HIS HA H 8 4.473 4.473 4.478 -0.005 25524 389 1 11 . 1 1 8 8 HIS CA C 8 59.237 59.237 57.799 1.438 25524 390 1 11 . 1 1 8 8 HIS CB C 8 29.453 29.453 30.969 -1.516 25524 391 1 11 . 1 1 8 8 HIS H H 8 7.753 7.753 7.657 0.096 25524 392 1 11 . 1 1 9 9 LEU N N 9 120.807 120.807 119.900 0.907 25524 393 1 11 . 1 1 9 9 LEU HA H 9 4.329 4.329 4.134 0.195 25524 394 1 11 . 1 1 9 9 LEU CA C 9 57.601 57.601 56.715 0.886 25524 395 1 11 . 1 1 9 9 LEU CB C 9 43.567 43.567 42.553 1.014 25524 396 1 11 . 1 1 9 9 LEU H H 9 8.021 8.021 7.595 0.426 25524 397 1 12 . 1 1 2 2 ASN HA H 2 4.802 4.802 5.026 -0.224 25524 398 1 12 . 1 1 2 2 ASN CA C 2 54.527 54.527 53.260 1.267 25524 399 1 12 . 1 1 2 2 ASN CB C 2 39.538 39.538 38.690 0.848 25524 400 1 12 . 1 1 3 3 HIS N N 3 119.480 119.480 122.533 -3.053 25524 401 1 12 . 1 1 3 3 HIS HA H 3 4.470 4.470 4.679 -0.209 25524 402 1 12 . 1 1 3 3 HIS CA C 3 58.801 58.801 56.558 2.243 25524 403 1 12 . 1 1 3 3 HIS CB C 3 29.593 29.593 31.088 -1.495 25524 404 1 12 . 1 1 3 3 HIS H H 3 8.468 8.468 8.680 -0.212 25524 405 1 12 . 1 1 4 4 TRP N N 4 120.668 120.668 122.024 -1.356 25524 406 1 12 . 1 1 4 4 TRP HA H 4 4.480 4.480 4.325 0.155 25524 407 1 12 . 1 1 4 4 TRP CA C 4 60.772 60.772 60.847 -0.076 25524 408 1 12 . 1 1 4 4 TRP CB C 4 30.295 30.295 29.688 0.607 25524 409 1 12 . 1 1 4 4 TRP H H 4 8.045 8.045 8.564 -0.519 25524 410 1 12 . 1 1 5 5 ALA N N 5 123.184 123.184 122.243 0.941 25524 411 1 12 . 1 1 5 5 ALA HA H 5 4.163 4.163 4.205 -0.042 25524 412 1 12 . 1 1 5 5 ALA CA C 5 56.130 56.130 54.920 1.210 25524 413 1 12 . 1 1 5 5 ALA CB C 5 19.116 19.116 18.296 0.820 25524 414 1 12 . 1 1 5 5 ALA H H 5 8.024 8.024 8.360 -0.336 25524 415 1 12 . 1 1 6 6 VAL N N 6 117.130 117.130 117.850 -0.720 25524 416 1 12 . 1 1 6 6 VAL HA H 6 3.790 3.790 3.648 0.142 25524 417 1 12 . 1 1 6 6 VAL CA C 6 66.564 66.564 66.143 0.421 25524 418 1 12 . 1 1 6 6 VAL CB C 6 33.200 33.200 31.193 2.007 25524 419 1 12 . 1 1 6 6 VAL H H 6 7.741 7.741 8.136 -0.395 25524 420 1 12 . 1 1 7 7 GLY N N 7 106.931 106.931 106.423 0.508 25524 421 1 12 . 1 1 7 7 GLY CA C 7 47.124 47.124 47.025 0.099 25524 422 1 12 . 1 1 7 7 GLY H H 7 8.122 8.122 7.799 0.323 25524 423 1 12 . 1 1 8 8 HIS N N 8 115.776 115.776 119.422 -3.646 25524 424 1 12 . 1 1 8 8 HIS HA H 8 4.473 4.473 4.602 -0.129 25524 425 1 12 . 1 1 8 8 HIS CA C 8 59.237 59.237 57.136 2.101 25524 426 1 12 . 1 1 8 8 HIS CB C 8 29.453 29.453 30.968 -1.515 25524 427 1 12 . 1 1 8 8 HIS H H 8 7.753 7.753 7.950 -0.197 25524 428 1 12 . 1 1 9 9 LEU N N 9 120.807 120.807 119.736 1.071 25524 429 1 12 . 1 1 9 9 LEU HA H 9 4.329 4.329 4.151 0.178 25524 430 1 12 . 1 1 9 9 LEU CA C 9 57.601 57.601 55.871 1.730 25524 431 1 12 . 1 1 9 9 LEU CB C 9 43.567 43.567 42.335 1.232 25524 432 1 12 . 1 1 9 9 LEU H H 9 8.021 8.021 7.978 0.043 25524 433 1 13 . 1 1 2 2 ASN HA H 2 4.802 4.802 5.002 -0.200 25524 434 1 13 . 1 1 2 2 ASN CA C 2 54.527 54.527 53.017 1.510 25524 435 1 13 . 1 1 2 2 ASN CB C 2 39.538 39.538 40.439 -0.901 25524 436 1 13 . 1 1 3 3 HIS N N 3 119.480 119.480 123.601 -4.121 25524 437 1 13 . 1 1 3 3 HIS HA H 3 4.470 4.470 4.292 0.178 25524 438 1 13 . 1 1 3 3 HIS CA C 3 58.801 58.801 58.818 -0.017 25524 439 1 13 . 1 1 3 3 HIS CB C 3 29.593 29.593 30.079 -0.486 25524 440 1 13 . 1 1 3 3 HIS H H 3 8.468 8.468 8.842 -0.374 25524 441 1 13 . 1 1 4 4 TRP N N 4 120.668 120.668 120.556 0.112 25524 442 1 13 . 1 1 4 4 TRP HA H 4 4.480 4.480 4.492 -0.012 25524 443 1 13 . 1 1 4 4 TRP CA C 4 60.772 60.772 59.710 1.062 25524 444 1 13 . 1 1 4 4 TRP CB C 4 30.295 30.295 29.427 0.868 25524 445 1 13 . 1 1 4 4 TRP H H 4 8.045 8.045 8.099 -0.054 25524 446 1 13 . 1 1 5 5 ALA N N 5 123.184 123.184 122.124 1.060 25524 447 1 13 . 1 1 5 5 ALA HA H 5 4.163 4.163 4.096 0.067 25524 448 1 13 . 1 1 5 5 ALA CA C 5 56.130 56.130 54.804 1.326 25524 449 1 13 . 1 1 5 5 ALA CB C 5 19.116 19.116 17.921 1.196 25524 450 1 13 . 1 1 5 5 ALA H H 5 8.024 8.024 8.352 -0.328 25524 451 1 13 . 1 1 6 6 VAL N N 6 117.130 117.130 118.328 -1.198 25524 452 1 13 . 1 1 6 6 VAL HA H 6 3.790 3.790 3.637 0.153 25524 453 1 13 . 1 1 6 6 VAL CA C 6 66.564 66.564 66.048 0.516 25524 454 1 13 . 1 1 6 6 VAL CB C 6 33.200 33.200 31.075 2.125 25524 455 1 13 . 1 1 6 6 VAL H H 6 7.741 7.741 7.748 -0.007 25524 456 1 13 . 1 1 7 7 GLY N N 7 106.931 106.931 106.443 0.488 25524 457 1 13 . 1 1 7 7 GLY CA C 7 47.124 47.124 46.875 0.249 25524 458 1 13 . 1 1 7 7 GLY H H 7 8.122 8.122 7.884 0.238 25524 459 1 13 . 1 1 8 8 HIS N N 8 115.776 115.776 118.648 -2.872 25524 460 1 13 . 1 1 8 8 HIS HA H 8 4.473 4.473 4.483 -0.010 25524 461 1 13 . 1 1 8 8 HIS CA C 8 59.237 59.237 57.034 2.203 25524 462 1 13 . 1 1 8 8 HIS CB C 8 29.453 29.453 31.071 -1.618 25524 463 1 13 . 1 1 8 8 HIS H H 8 7.753 7.753 7.948 -0.195 25524 464 1 13 . 1 1 9 9 LEU N N 9 120.807 120.807 120.423 0.384 25524 465 1 13 . 1 1 9 9 LEU HA H 9 4.329 4.329 4.054 0.275 25524 466 1 13 . 1 1 9 9 LEU CA C 9 57.601 57.601 56.977 0.624 25524 467 1 13 . 1 1 9 9 LEU CB C 9 43.567 43.567 42.324 1.243 25524 468 1 13 . 1 1 9 9 LEU H H 9 8.021 8.021 7.641 0.380 25524 469 1 14 . 1 1 2 2 ASN HA H 2 4.802 4.802 4.886 -0.084 25524 470 1 14 . 1 1 2 2 ASN CA C 2 54.527 54.527 52.331 2.196 25524 471 1 14 . 1 1 2 2 ASN CB C 2 39.538 39.538 41.281 -1.743 25524 472 1 14 . 1 1 3 3 HIS N N 3 119.480 119.480 120.535 -1.055 25524 473 1 14 . 1 1 3 3 HIS HA H 3 4.470 4.470 4.269 0.201 25524 474 1 14 . 1 1 3 3 HIS CA C 3 58.801 58.801 59.592 -0.791 25524 475 1 14 . 1 1 3 3 HIS CB C 3 29.593 29.593 30.203 -0.610 25524 476 1 14 . 1 1 3 3 HIS H H 3 8.468 8.468 8.925 -0.457 25524 477 1 14 . 1 1 4 4 TRP N N 4 120.668 120.668 120.334 0.334 25524 478 1 14 . 1 1 4 4 TRP HA H 4 4.480 4.480 4.094 0.386 25524 479 1 14 . 1 1 4 4 TRP CA C 4 60.772 60.772 60.432 0.340 25524 480 1 14 . 1 1 4 4 TRP CB C 4 30.295 30.295 29.386 0.909 25524 481 1 14 . 1 1 4 4 TRP H H 4 8.045 8.045 8.106 -0.061 25524 482 1 14 . 1 1 5 5 ALA N N 5 123.184 123.184 119.990 3.194 25524 483 1 14 . 1 1 5 5 ALA HA H 5 4.163 4.163 4.273 -0.110 25524 484 1 14 . 1 1 5 5 ALA CA C 5 56.130 56.130 54.605 1.526 25524 485 1 14 . 1 1 5 5 ALA CB C 5 19.116 19.116 18.679 0.437 25524 486 1 14 . 1 1 5 5 ALA H H 5 8.024 8.024 7.486 0.538 25524 487 1 14 . 1 1 6 6 VAL N N 6 117.130 117.130 118.376 -1.246 25524 488 1 14 . 1 1 6 6 VAL HA H 6 3.790 3.790 3.786 0.004 25524 489 1 14 . 1 1 6 6 VAL CA C 6 66.564 66.564 65.473 1.091 25524 490 1 14 . 1 1 6 6 VAL CB C 6 33.200 33.200 31.321 1.879 25524 491 1 14 . 1 1 6 6 VAL H H 6 7.741 7.741 7.807 -0.066 25524 492 1 14 . 1 1 7 7 GLY N N 7 106.931 106.931 108.144 -1.213 25524 493 1 14 . 1 1 7 7 GLY CA C 7 47.124 47.124 47.044 0.080 25524 494 1 14 . 1 1 7 7 GLY H H 7 8.122 8.122 7.662 0.460 25524 495 1 14 . 1 1 8 8 HIS N N 8 115.776 115.776 118.369 -2.593 25524 496 1 14 . 1 1 8 8 HIS HA H 8 4.473 4.473 4.507 -0.034 25524 497 1 14 . 1 1 8 8 HIS CA C 8 59.237 59.237 56.166 3.071 25524 498 1 14 . 1 1 8 8 HIS CB C 8 29.453 29.453 30.586 -1.133 25524 499 1 14 . 1 1 8 8 HIS H H 8 7.753 7.753 7.632 0.121 25524 500 1 14 . 1 1 9 9 LEU N N 9 120.807 120.807 119.746 1.061 25524 501 1 14 . 1 1 9 9 LEU HA H 9 4.329 4.329 4.129 0.200 25524 502 1 14 . 1 1 9 9 LEU CA C 9 57.601 57.601 55.917 1.684 25524 503 1 14 . 1 1 9 9 LEU CB C 9 43.567 43.567 42.721 0.847 25524 504 1 14 . 1 1 9 9 LEU H H 9 8.021 8.021 7.625 0.396 25524 505 1 15 . 1 1 2 2 ASN HA H 2 4.802 4.802 4.735 0.067 25524 506 1 15 . 1 1 2 2 ASN CA C 2 54.527 54.527 53.342 1.185 25524 507 1 15 . 1 1 2 2 ASN CB C 2 39.538 39.538 38.632 0.906 25524 508 1 15 . 1 1 3 3 HIS N N 3 119.480 119.480 123.956 -4.476 25524 509 1 15 . 1 1 3 3 HIS HA H 3 4.470 4.470 4.623 -0.153 25524 510 1 15 . 1 1 3 3 HIS CA C 3 58.801 58.801 56.354 2.447 25524 511 1 15 . 1 1 3 3 HIS CB C 3 29.593 29.593 31.223 -1.630 25524 512 1 15 . 1 1 3 3 HIS H H 3 8.468 8.468 8.604 -0.136 25524 513 1 15 . 1 1 4 4 TRP N N 4 120.668 120.668 121.860 -1.192 25524 514 1 15 . 1 1 4 4 TRP HA H 4 4.480 4.480 4.238 0.242 25524 515 1 15 . 1 1 4 4 TRP CA C 4 60.772 60.772 60.818 -0.046 25524 516 1 15 . 1 1 4 4 TRP CB C 4 30.295 30.295 29.644 0.651 25524 517 1 15 . 1 1 4 4 TRP H H 4 8.045 8.045 8.796 -0.751 25524 518 1 15 . 1 1 5 5 ALA N N 5 123.184 123.184 120.177 3.007 25524 519 1 15 . 1 1 5 5 ALA HA H 5 4.163 4.163 4.120 0.043 25524 520 1 15 . 1 1 5 5 ALA CA C 5 56.130 56.130 55.069 1.061 25524 521 1 15 . 1 1 5 5 ALA CB C 5 19.116 19.116 17.985 1.131 25524 522 1 15 . 1 1 5 5 ALA H H 5 8.024 8.024 8.304 -0.280 25524 523 1 15 . 1 1 6 6 VAL N N 6 117.130 117.130 119.163 -2.033 25524 524 1 15 . 1 1 6 6 VAL HA H 6 3.790 3.790 3.686 0.104 25524 525 1 15 . 1 1 6 6 VAL CA C 6 66.564 66.564 65.611 0.953 25524 526 1 15 . 1 1 6 6 VAL CB C 6 33.200 33.200 31.267 1.933 25524 527 1 15 . 1 1 6 6 VAL H H 6 7.741 7.741 7.279 0.462 25524 528 1 15 . 1 1 7 7 GLY N N 7 106.931 106.931 106.806 0.125 25524 529 1 15 . 1 1 7 7 GLY CA C 7 47.124 47.124 47.122 0.002 25524 530 1 15 . 1 1 7 7 GLY H H 7 8.122 8.122 7.770 0.352 25524 531 1 15 . 1 1 8 8 HIS N N 8 115.776 115.776 118.046 -2.270 25524 532 1 15 . 1 1 8 8 HIS HA H 8 4.473 4.473 4.643 -0.170 25524 533 1 15 . 1 1 8 8 HIS CA C 8 59.237 59.237 56.339 2.898 25524 534 1 15 . 1 1 8 8 HIS CB C 8 29.453 29.453 30.991 -1.538 25524 535 1 15 . 1 1 8 8 HIS H H 8 7.753 7.753 7.688 0.065 25524 536 1 15 . 1 1 9 9 LEU N N 9 120.807 120.807 119.469 1.338 25524 537 1 15 . 1 1 9 9 LEU HA H 9 4.329 4.329 4.223 0.106 25524 538 1 15 . 1 1 9 9 LEU CA C 9 57.601 57.601 56.612 0.989 25524 539 1 15 . 1 1 9 9 LEU CB C 9 43.567 43.567 42.578 0.989 25524 540 1 15 . 1 1 9 9 LEU H H 9 8.021 8.021 8.174 -0.153 25524 541 1 16 . 1 1 2 2 ASN HA H 2 4.802 4.802 5.058 -0.256 25524 542 1 16 . 1 1 2 2 ASN CA C 2 54.527 54.527 52.550 1.977 25524 543 1 16 . 1 1 2 2 ASN CB C 2 39.538 39.538 39.120 0.418 25524 544 1 16 . 1 1 3 3 HIS N N 3 119.480 119.480 118.829 0.651 25524 545 1 16 . 1 1 3 3 HIS HA H 3 4.470 4.470 4.516 -0.046 25524 546 1 16 . 1 1 3 3 HIS CA C 3 58.801 58.801 57.681 1.120 25524 547 1 16 . 1 1 3 3 HIS CB C 3 29.593 29.593 30.518 -0.925 25524 548 1 16 . 1 1 3 3 HIS H H 3 8.468 8.468 8.568 -0.100 25524 549 1 16 . 1 1 4 4 TRP N N 4 120.668 120.668 120.449 0.219 25524 550 1 16 . 1 1 4 4 TRP HA H 4 4.480 4.480 4.305 0.175 25524 551 1 16 . 1 1 4 4 TRP CA C 4 60.772 60.772 60.493 0.279 25524 552 1 16 . 1 1 4 4 TRP CB C 4 30.295 30.295 29.581 0.714 25524 553 1 16 . 1 1 4 4 TRP H H 4 8.045 8.045 8.395 -0.350 25524 554 1 16 . 1 1 5 5 ALA N N 5 123.184 123.184 121.276 1.908 25524 555 1 16 . 1 1 5 5 ALA HA H 5 4.163 4.163 4.437 -0.274 25524 556 1 16 . 1 1 5 5 ALA CA C 5 56.130 56.130 55.202 0.928 25524 557 1 16 . 1 1 5 5 ALA CB C 5 19.116 19.116 18.115 1.001 25524 558 1 16 . 1 1 5 5 ALA H H 5 8.024 8.024 8.472 -0.448 25524 559 1 16 . 1 1 6 6 VAL N N 6 117.130 117.130 117.503 -0.373 25524 560 1 16 . 1 1 6 6 VAL HA H 6 3.790 3.790 3.499 0.291 25524 561 1 16 . 1 1 6 6 VAL CA C 6 66.564 66.564 65.945 0.619 25524 562 1 16 . 1 1 6 6 VAL CB C 6 33.200 33.200 30.933 2.267 25524 563 1 16 . 1 1 6 6 VAL H H 6 7.741 7.741 7.869 -0.128 25524 564 1 16 . 1 1 7 7 GLY N N 7 106.931 106.931 108.600 -1.669 25524 565 1 16 . 1 1 7 7 GLY CA C 7 47.124 47.124 47.409 -0.285 25524 566 1 16 . 1 1 7 7 GLY H H 7 8.122 8.122 7.958 0.164 25524 567 1 16 . 1 1 8 8 HIS N N 8 115.776 115.776 119.282 -3.506 25524 568 1 16 . 1 1 8 8 HIS HA H 8 4.473 4.473 4.588 -0.115 25524 569 1 16 . 1 1 8 8 HIS CA C 8 59.237 59.237 56.583 2.654 25524 570 1 16 . 1 1 8 8 HIS CB C 8 29.453 29.453 30.101 -0.648 25524 571 1 16 . 1 1 8 8 HIS H H 8 7.753 7.753 7.778 -0.025 25524 572 1 16 . 1 1 9 9 LEU N N 9 120.807 120.807 120.006 0.801 25524 573 1 16 . 1 1 9 9 LEU HA H 9 4.329 4.329 3.913 0.416 25524 574 1 16 . 1 1 9 9 LEU CA C 9 57.601 57.601 56.936 0.665 25524 575 1 16 . 1 1 9 9 LEU CB C 9 43.567 43.567 42.306 1.261 25524 576 1 16 . 1 1 9 9 LEU H H 9 8.021 8.021 7.825 0.196 25524 577 1 17 . 1 1 2 2 ASN HA H 2 4.802 4.802 5.188 -0.386 25524 578 1 17 . 1 1 2 2 ASN CA C 2 54.527 54.527 53.283 1.244 25524 579 1 17 . 1 1 2 2 ASN CB C 2 39.538 39.538 40.439 -0.901 25524 580 1 17 . 1 1 3 3 HIS N N 3 119.480 119.480 122.107 -2.627 25524 581 1 17 . 1 1 3 3 HIS HA H 3 4.470 4.470 4.674 -0.204 25524 582 1 17 . 1 1 3 3 HIS CA C 3 58.801 58.801 56.161 2.640 25524 583 1 17 . 1 1 3 3 HIS CB C 3 29.593 29.593 31.311 -1.718 25524 584 1 17 . 1 1 3 3 HIS H H 3 8.468 8.468 8.677 -0.209 25524 585 1 17 . 1 1 4 4 TRP N N 4 120.668 120.668 122.167 -1.499 25524 586 1 17 . 1 1 4 4 TRP HA H 4 4.480 4.480 4.384 0.096 25524 587 1 17 . 1 1 4 4 TRP CA C 4 60.772 60.772 60.075 0.697 25524 588 1 17 . 1 1 4 4 TRP CB C 4 30.295 30.295 29.502 0.793 25524 589 1 17 . 1 1 4 4 TRP H H 4 8.045 8.045 8.452 -0.407 25524 590 1 17 . 1 1 5 5 ALA N N 5 123.184 123.184 120.194 2.990 25524 591 1 17 . 1 1 5 5 ALA HA H 5 4.163 4.163 4.305 -0.142 25524 592 1 17 . 1 1 5 5 ALA CA C 5 56.130 56.130 54.938 1.192 25524 593 1 17 . 1 1 5 5 ALA CB C 5 19.116 19.116 18.098 1.018 25524 594 1 17 . 1 1 5 5 ALA H H 5 8.024 8.024 8.358 -0.334 25524 595 1 17 . 1 1 6 6 VAL N N 6 117.130 117.130 117.249 -0.119 25524 596 1 17 . 1 1 6 6 VAL HA H 6 3.790 3.790 3.761 0.029 25524 597 1 17 . 1 1 6 6 VAL CA C 6 66.564 66.564 65.064 1.500 25524 598 1 17 . 1 1 6 6 VAL CB C 6 33.200 33.200 31.379 1.821 25524 599 1 17 . 1 1 6 6 VAL H H 6 7.741 7.741 7.780 -0.039 25524 600 1 17 . 1 1 7 7 GLY N N 7 106.931 106.931 107.307 -0.376 25524 601 1 17 . 1 1 7 7 GLY CA C 7 47.124 47.124 46.969 0.155 25524 602 1 17 . 1 1 7 7 GLY H H 7 8.122 8.122 7.815 0.307 25524 603 1 17 . 1 1 8 8 HIS N N 8 115.776 115.776 119.987 -4.211 25524 604 1 17 . 1 1 8 8 HIS HA H 8 4.473 4.473 4.458 0.015 25524 605 1 17 . 1 1 8 8 HIS CA C 8 59.237 59.237 57.480 1.757 25524 606 1 17 . 1 1 8 8 HIS CB C 8 29.453 29.453 30.553 -1.100 25524 607 1 17 . 1 1 8 8 HIS H H 8 7.753 7.753 7.523 0.230 25524 608 1 17 . 1 1 9 9 LEU N N 9 120.807 120.807 120.029 0.778 25524 609 1 17 . 1 1 9 9 LEU HA H 9 4.329 4.329 4.114 0.215 25524 610 1 17 . 1 1 9 9 LEU CA C 9 57.601 57.601 56.448 1.153 25524 611 1 17 . 1 1 9 9 LEU CB C 9 43.567 43.567 42.381 1.186 25524 612 1 17 . 1 1 9 9 LEU H H 9 8.021 8.021 7.679 0.342 25524 613 1 18 . 1 1 2 2 ASN HA H 2 4.802 4.802 4.971 -0.169 25524 614 1 18 . 1 1 2 2 ASN CA C 2 54.527 54.527 53.183 1.344 25524 615 1 18 . 1 1 2 2 ASN CB C 2 39.538 39.538 39.227 0.311 25524 616 1 18 . 1 1 3 3 HIS N N 3 119.480 119.480 122.479 -2.999 25524 617 1 18 . 1 1 3 3 HIS HA H 3 4.470 4.470 4.735 -0.265 25524 618 1 18 . 1 1 3 3 HIS CA C 3 58.801 58.801 56.227 2.574 25524 619 1 18 . 1 1 3 3 HIS CB C 3 29.593 29.593 31.272 -1.679 25524 620 1 18 . 1 1 3 3 HIS H H 3 8.468 8.468 8.522 -0.054 25524 621 1 18 . 1 1 4 4 TRP N N 4 120.668 120.668 122.419 -1.751 25524 622 1 18 . 1 1 4 4 TRP HA H 4 4.480 4.480 4.445 0.035 25524 623 1 18 . 1 1 4 4 TRP CA C 4 60.772 60.772 60.254 0.518 25524 624 1 18 . 1 1 4 4 TRP CB C 4 30.295 30.295 29.551 0.744 25524 625 1 18 . 1 1 4 4 TRP H H 4 8.045 8.045 8.671 -0.626 25524 626 1 18 . 1 1 5 5 ALA N N 5 123.184 123.184 121.052 2.132 25524 627 1 18 . 1 1 5 5 ALA HA H 5 4.163 4.163 4.285 -0.122 25524 628 1 18 . 1 1 5 5 ALA CA C 5 56.130 56.130 55.021 1.109 25524 629 1 18 . 1 1 5 5 ALA CB C 5 19.116 19.116 18.412 0.704 25524 630 1 18 . 1 1 5 5 ALA H H 5 8.024 8.024 8.446 -0.422 25524 631 1 18 . 1 1 6 6 VAL N N 6 117.130 117.130 118.208 -1.078 25524 632 1 18 . 1 1 6 6 VAL HA H 6 3.790 3.790 3.631 0.159 25524 633 1 18 . 1 1 6 6 VAL CA C 6 66.564 66.564 66.020 0.544 25524 634 1 18 . 1 1 6 6 VAL CB C 6 33.200 33.200 31.287 1.913 25524 635 1 18 . 1 1 6 6 VAL H H 6 7.741 7.741 8.044 -0.303 25524 636 1 18 . 1 1 7 7 GLY N N 7 106.931 106.931 106.317 0.614 25524 637 1 18 . 1 1 7 7 GLY CA C 7 47.124 47.124 46.968 0.156 25524 638 1 18 . 1 1 7 7 GLY H H 7 8.122 8.122 7.776 0.346 25524 639 1 18 . 1 1 8 8 HIS N N 8 115.776 115.776 119.716 -3.940 25524 640 1 18 . 1 1 8 8 HIS HA H 8 4.473 4.473 4.432 0.041 25524 641 1 18 . 1 1 8 8 HIS CA C 8 59.237 59.237 56.998 2.240 25524 642 1 18 . 1 1 8 8 HIS CB C 8 29.453 29.453 30.659 -1.206 25524 643 1 18 . 1 1 8 8 HIS H H 8 7.753 7.753 7.601 0.152 25524 644 1 18 . 1 1 9 9 LEU N N 9 120.807 120.807 119.945 0.862 25524 645 1 18 . 1 1 9 9 LEU HA H 9 4.329 4.329 4.030 0.299 25524 646 1 18 . 1 1 9 9 LEU CA C 9 57.601 57.601 57.373 0.228 25524 647 1 18 . 1 1 9 9 LEU CB C 9 43.567 43.567 42.379 1.188 25524 648 1 18 . 1 1 9 9 LEU H H 9 8.021 8.021 8.297 -0.276 25524 649 1 19 . 1 1 2 2 ASN HA H 2 4.802 4.802 4.648 0.154 25524 650 1 19 . 1 1 2 2 ASN CA C 2 54.527 54.527 52.583 1.944 25524 651 1 19 . 1 1 2 2 ASN CB C 2 39.538 39.538 39.766 -0.228 25524 652 1 19 . 1 1 3 3 HIS N N 3 119.480 119.480 122.041 -2.561 25524 653 1 19 . 1 1 3 3 HIS HA H 3 4.470 4.470 4.329 0.141 25524 654 1 19 . 1 1 3 3 HIS CA C 3 58.801 58.801 59.507 -0.706 25524 655 1 19 . 1 1 3 3 HIS CB C 3 29.593 29.593 30.090 -0.497 25524 656 1 19 . 1 1 3 3 HIS H H 3 8.468 8.468 8.847 -0.379 25524 657 1 19 . 1 1 4 4 TRP N N 4 120.668 120.668 120.465 0.203 25524 658 1 19 . 1 1 4 4 TRP HA H 4 4.480 4.480 4.593 -0.113 25524 659 1 19 . 1 1 4 4 TRP CA C 4 60.772 60.772 59.754 1.018 25524 660 1 19 . 1 1 4 4 TRP CB C 4 30.295 30.295 29.515 0.780 25524 661 1 19 . 1 1 4 4 TRP H H 4 8.045 8.045 8.133 -0.088 25524 662 1 19 . 1 1 5 5 ALA N N 5 123.184 123.184 121.798 1.386 25524 663 1 19 . 1 1 5 5 ALA HA H 5 4.163 4.163 4.266 -0.103 25524 664 1 19 . 1 1 5 5 ALA CA C 5 56.130 56.130 54.828 1.302 25524 665 1 19 . 1 1 5 5 ALA CB C 5 19.116 19.116 18.272 0.844 25524 666 1 19 . 1 1 5 5 ALA H H 5 8.024 8.024 8.498 -0.474 25524 667 1 19 . 1 1 6 6 VAL N N 6 117.130 117.130 118.164 -1.034 25524 668 1 19 . 1 1 6 6 VAL HA H 6 3.790 3.790 3.719 0.071 25524 669 1 19 . 1 1 6 6 VAL CA C 6 66.564 66.564 65.789 0.775 25524 670 1 19 . 1 1 6 6 VAL CB C 6 33.200 33.200 31.098 2.103 25524 671 1 19 . 1 1 6 6 VAL H H 6 7.741 7.741 8.153 -0.412 25524 672 1 19 . 1 1 7 7 GLY N N 7 106.931 106.931 107.657 -0.726 25524 673 1 19 . 1 1 7 7 GLY CA C 7 47.124 47.124 47.340 -0.216 25524 674 1 19 . 1 1 7 7 GLY H H 7 8.122 8.122 7.913 0.209 25524 675 1 19 . 1 1 8 8 HIS N N 8 115.776 115.776 118.493 -2.717 25524 676 1 19 . 1 1 8 8 HIS HA H 8 4.473 4.473 4.567 -0.094 25524 677 1 19 . 1 1 8 8 HIS CA C 8 59.237 59.237 57.410 1.827 25524 678 1 19 . 1 1 8 8 HIS CB C 8 29.453 29.453 30.363 -0.910 25524 679 1 19 . 1 1 8 8 HIS H H 8 7.753 7.753 7.784 -0.031 25524 680 1 19 . 1 1 9 9 LEU N N 9 120.807 120.807 119.864 0.943 25524 681 1 19 . 1 1 9 9 LEU HA H 9 4.329 4.329 4.204 0.125 25524 682 1 19 . 1 1 9 9 LEU CA C 9 57.601 57.601 55.912 1.689 25524 683 1 19 . 1 1 9 9 LEU CB C 9 43.567 43.567 42.281 1.286 25524 684 1 19 . 1 1 9 9 LEU H H 9 8.021 8.021 7.483 0.538 25524 685 1 20 . 1 1 2 2 ASN HA H 2 4.802 4.802 4.920 -0.118 25524 686 1 20 . 1 1 2 2 ASN CA C 2 54.527 54.527 52.773 1.754 25524 687 1 20 . 1 1 2 2 ASN CB C 2 39.538 39.538 38.450 1.088 25524 688 1 20 . 1 1 3 3 HIS N N 3 119.480 119.480 120.877 -1.397 25524 689 1 20 . 1 1 3 3 HIS HA H 3 4.470 4.470 4.528 -0.058 25524 690 1 20 . 1 1 3 3 HIS CA C 3 58.801 58.801 58.810 -0.009 25524 691 1 20 . 1 1 3 3 HIS CB C 3 29.593 29.593 30.332 -0.739 25524 692 1 20 . 1 1 3 3 HIS H H 3 8.468 8.468 8.734 -0.266 25524 693 1 20 . 1 1 4 4 TRP N N 4 120.668 120.668 121.541 -0.873 25524 694 1 20 . 1 1 4 4 TRP HA H 4 4.480 4.480 4.312 0.168 25524 695 1 20 . 1 1 4 4 TRP CA C 4 60.772 60.772 60.092 0.680 25524 696 1 20 . 1 1 4 4 TRP CB C 4 30.295 30.295 29.277 1.018 25524 697 1 20 . 1 1 4 4 TRP H H 4 8.045 8.045 8.338 -0.293 25524 698 1 20 . 1 1 5 5 ALA N N 5 123.184 123.184 119.613 3.571 25524 699 1 20 . 1 1 5 5 ALA HA H 5 4.163 4.163 4.218 -0.055 25524 700 1 20 . 1 1 5 5 ALA CA C 5 56.130 56.130 54.635 1.495 25524 701 1 20 . 1 1 5 5 ALA CB C 5 19.116 19.116 18.233 0.883 25524 702 1 20 . 1 1 5 5 ALA H H 5 8.024 8.024 8.641 -0.617 25524 703 1 20 . 1 1 6 6 VAL N N 6 117.130 117.130 117.267 -0.137 25524 704 1 20 . 1 1 6 6 VAL HA H 6 3.790 3.790 3.850 -0.060 25524 705 1 20 . 1 1 6 6 VAL CA C 6 66.564 66.564 65.179 1.385 25524 706 1 20 . 1 1 6 6 VAL CB C 6 33.200 33.200 31.440 1.760 25524 707 1 20 . 1 1 6 6 VAL H H 6 7.741 7.741 7.703 0.038 25524 708 1 20 . 1 1 7 7 GLY N N 7 106.931 106.931 107.902 -0.971 25524 709 1 20 . 1 1 7 7 GLY CA C 7 47.124 47.124 47.213 -0.089 25524 710 1 20 . 1 1 7 7 GLY H H 7 8.122 8.122 7.911 0.211 25524 711 1 20 . 1 1 8 8 HIS N N 8 115.776 115.776 118.250 -2.474 25524 712 1 20 . 1 1 8 8 HIS HA H 8 4.473 4.473 4.429 0.044 25524 713 1 20 . 1 1 8 8 HIS CA C 8 59.237 59.237 56.793 2.444 25524 714 1 20 . 1 1 8 8 HIS CB C 8 29.453 29.453 30.235 -0.782 25524 715 1 20 . 1 1 8 8 HIS H H 8 7.753 7.753 7.852 -0.099 25524 716 1 20 . 1 1 9 9 LEU N N 9 120.807 120.807 120.078 0.729 25524 717 1 20 . 1 1 9 9 LEU HA H 9 4.329 4.329 4.195 0.134 25524 718 1 20 . 1 1 9 9 LEU CA C 9 57.601 57.601 56.825 0.777 25524 719 1 20 . 1 1 9 9 LEU CB C 9 43.567 43.567 42.631 0.936 25524 720 1 20 . 1 1 9 9 LEU H H 9 8.021 8.021 7.419 0.602 25524 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 2.411 0.813 2.451 25524 2 1 1 "Average Difference" HA 9 0.202 -0.067 0.202 25524 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25524 4 1 1 "Average Difference" CA 8 1.377 -1.165 0.785 25524 5 1 1 "Average Difference" CB 7 1.215 -0.409 1.235 25524 6 1 1 "Average Difference" HN 7 0.378 0.045 0.406 25524 7 1 2 "Average Difference" N 7 1.709 0.348 1.807 25524 8 1 2 "Average Difference" HA 9 0.237 -0.152 0.192 25524 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25524 10 1 2 "Average Difference" CA 8 1.188 -0.980 0.718 25524 11 1 2 "Average Difference" CB 7 1.109 -0.424 1.107 25524 12 1 2 "Average Difference" HN 7 0.320 -0.127 0.317 25524 13 1 3 "Average Difference" N 7 1.881 0.072 2.030 25524 14 1 3 "Average Difference" HA 9 0.208 -0.069 0.209 25524 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25524 16 1 3 "Average Difference" CA 8 1.113 -0.799 0.827 25524 17 1 3 "Average Difference" CB 7 1.090 -0.355 1.113 25524 18 1 3 "Average Difference" HN 7 0.295 0.004 0.319 25524 19 1 4 "Average Difference" N 7 1.769 0.458 1.845 25524 20 1 4 "Average Difference" HA 9 0.210 -0.058 0.214 25524 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25524 22 1 4 "Average Difference" CA 8 1.685 -1.422 0.966 25524 23 1 4 "Average Difference" CB 7 1.376 -0.451 1.404 25524 24 1 4 "Average Difference" HN 7 0.322 -0.022 0.347 25524 25 1 5 "Average Difference" N 7 2.021 0.327 2.154 25524 26 1 5 "Average Difference" HA 9 0.224 -0.099 0.213 25524 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25524 28 1 5 "Average Difference" CA 8 1.300 -0.860 1.043 25524 29 1 5 "Average Difference" CB 7 1.248 -0.434 1.264 25524 30 1 5 "Average Difference" HN 7 0.483 0.087 0.513 25524 31 1 6 "Average Difference" N 7 2.316 0.930 2.291 25524 32 1 6 "Average Difference" HA 9 0.162 -0.013 0.171 25524 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25524 34 1 6 "Average Difference" CA 8 1.394 -1.113 0.898 25524 35 1 6 "Average Difference" CB 7 1.331 -0.265 1.409 25524 36 1 6 "Average Difference" HN 7 0.465 0.285 0.396 25524 37 1 7 "Average Difference" N 7 1.357 -0.036 1.465 25524 38 1 7 "Average Difference" HA 9 0.180 -0.109 0.152 25524 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25524 40 1 7 "Average Difference" CA 8 1.300 -0.941 0.960 25524 41 1 7 "Average Difference" CB 7 1.213 -0.626 1.122 25524 42 1 7 "Average Difference" HN 7 0.329 -0.116 0.333 25524 43 1 8 "Average Difference" N 7 1.768 0.137 1.904 25524 44 1 8 "Average Difference" HA 9 0.173 -0.044 0.178 25524 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25524 46 1 8 "Average Difference" CA 8 1.649 -1.309 1.073 25524 47 1 8 "Average Difference" CB 7 1.334 -0.530 1.322 25524 48 1 8 "Average Difference" HN 7 0.220 0.055 0.230 25524 49 1 9 "Average Difference" N 7 1.309 0.240 1.390 25524 50 1 9 "Average Difference" HA 9 0.188 -0.123 0.151 25524 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25524 52 1 9 "Average Difference" CA 8 1.089 -0.729 0.865 25524 53 1 9 "Average Difference" CB 7 1.129 -0.527 1.079 25524 54 1 9 "Average Difference" HN 7 0.268 -0.106 0.266 25524 55 1 10 "Average Difference" N 7 2.079 0.750 2.095 25524 56 1 10 "Average Difference" HA 9 0.173 -0.028 0.181 25524 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25524 58 1 10 "Average Difference" CA 8 1.362 -1.059 0.915 25524 59 1 10 "Average Difference" CB 7 1.270 -0.253 1.345 25524 60 1 10 "Average Difference" HN 7 0.349 0.115 0.356 25524 61 1 11 "Average Difference" N 7 1.766 0.742 1.731 25524 62 1 11 "Average Difference" HA 9 0.210 -0.076 0.207 25524 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25524 64 1 11 "Average Difference" CA 8 1.478 -1.259 0.828 25524 65 1 11 "Average Difference" CB 7 1.343 -0.301 1.413 25524 66 1 11 "Average Difference" HN 7 0.416 -0.043 0.447 25524 67 1 12 "Average Difference" N 7 1.973 0.894 1.901 25524 68 1 12 "Average Difference" HA 9 0.169 -0.027 0.177 25524 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25524 70 1 12 "Average Difference" CA 8 1.401 -1.124 0.893 25524 71 1 12 "Average Difference" CB 7 1.300 -0.358 1.350 25524 72 1 12 "Average Difference" HN 7 0.323 0.185 0.286 25524 73 1 13 "Average Difference" N 7 2.007 0.878 1.949 25524 74 1 13 "Average Difference" HA 9 0.161 -0.088 0.143 25524 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25524 76 1 13 "Average Difference" CA 8 1.158 -0.934 0.732 25524 77 1 13 "Average Difference" CB 7 1.304 -0.346 1.358 25524 78 1 13 "Average Difference" HN 7 0.264 0.049 0.281 25524 79 1 14 "Average Difference" N 7 1.785 0.217 1.914 25524 80 1 14 "Average Difference" HA 9 0.212 -0.125 0.182 25524 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25524 82 1 14 "Average Difference" CA 8 1.634 -1.149 1.241 25524 83 1 14 "Average Difference" CB 7 1.193 -0.084 1.285 25524 84 1 14 "Average Difference" HN 7 0.356 -0.133 0.357 25524 85 1 15 "Average Difference" N 7 2.437 0.786 2.492 25524 86 1 15 "Average Difference" HA 9 0.168 -0.080 0.157 25524 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25524 88 1 15 "Average Difference" CA 8 1.533 -1.186 1.039 25524 89 1 15 "Average Difference" CB 7 1.323 -0.349 1.379 25524 90 1 15 "Average Difference" HN 7 0.383 0.063 0.408 25524 91 1 16 "Average Difference" N 7 1.689 0.281 1.799 25524 92 1 16 "Average Difference" HA 9 0.242 -0.066 0.247 25524 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25524 94 1 16 "Average Difference" CA 8 1.325 -0.995 0.936 25524 95 1 16 "Average Difference" CB 7 1.177 -0.584 1.103 25524 96 1 16 "Average Difference" HN 7 0.244 0.099 0.241 25524 97 1 17 "Average Difference" N 7 2.286 0.723 2.342 25524 98 1 17 "Average Difference" HA 9 0.224 -0.026 0.236 25524 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25524 100 1 17 "Average Difference" CA 8 1.463 -1.292 0.732 25524 101 1 17 "Average Difference" CB 7 1.274 -0.157 1.366 25524 102 1 17 "Average Difference" HN 7 0.289 0.016 0.312 25524 103 1 18 "Average Difference" N 7 2.217 0.880 2.198 25524 104 1 18 "Average Difference" HA 9 0.184 -0.040 0.190 25524 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25524 106 1 18 "Average Difference" CA 8 1.384 -1.089 0.913 25524 107 1 18 "Average Difference" CB 7 1.224 -0.282 1.287 25524 108 1 18 "Average Difference" HN 7 0.355 0.169 0.338 25524 109 1 19 "Average Difference" N 7 1.621 0.644 1.607 25524 110 1 19 "Average Difference" HA 9 0.148 -0.070 0.139 25524 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25524 112 1 19 "Average Difference" CA 8 1.315 -0.954 0.968 25524 113 1 19 "Average Difference" CB 7 1.103 -0.483 1.072 25524 114 1 19 "Average Difference" HN 7 0.355 0.091 0.370 25524 115 1 20 "Average Difference" N 7 1.816 0.222 1.947 25524 116 1 20 "Average Difference" HA 9 0.126 -0.048 0.124 25524 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25524 118 1 20 "Average Difference" CA 8 1.336 -1.055 0.877 25524 119 1 20 "Average Difference" CB 7 1.078 -0.595 0.971 25524 120 1 20 "Average Difference" HN 7 0.369 0.060 0.394 25524 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 25524 _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 4.802 4.802 4.954 -0.152 25524 2 1 . 1 1 2 2 ASN CA C 2 54.527 54.527 52.854 1.673 25524 3 1 . 1 1 2 2 ASN CB C 2 39.538 39.538 39.389 0.149 25524 4 1 . 1 1 3 3 HIS N N 3 119.480 119.480 121.518 -2.038 25524 5 1 . 1 1 3 3 HIS HA H 3 4.470 4.470 4.503 -0.033 25524 6 1 . 1 1 3 3 HIS CA C 3 58.801 58.801 57.815 0.986 25524 7 1 . 1 1 3 3 HIS CB C 3 29.593 29.593 30.657 -1.064 25524 8 1 . 1 1 3 3 HIS H H 3 8.468 8.468 8.619 -0.151 25524 9 1 . 1 1 4 4 TRP N N 4 120.668 120.668 121.080 -0.412 25524 10 1 . 1 1 4 4 TRP HA H 4 4.480 4.480 4.320 0.160 25524 11 1 . 1 1 4 4 TRP CA C 4 60.772 60.772 60.233 0.539 25524 12 1 . 1 1 4 4 TRP CB C 4 30.295 30.295 29.495 0.800 25524 13 1 . 1 1 4 4 TRP H H 4 8.045 8.045 8.428 -0.383 25524 14 1 . 1 1 5 5 ALA N N 5 123.184 123.184 120.953 2.231 25524 15 1 . 1 1 5 5 ALA HA H 5 4.163 4.163 4.244 -0.081 25524 16 1 . 1 1 5 5 ALA CA C 5 56.130 56.130 54.889 1.241 25524 17 1 . 1 1 5 5 ALA CB C 5 19.116 19.116 18.244 0.872 25524 18 1 . 1 1 5 5 ALA H H 5 8.024 8.024 8.237 -0.213 25524 19 1 . 1 1 6 6 VAL N N 6 117.130 117.130 118.127 -0.997 25524 20 1 . 1 1 6 6 VAL HA H 6 3.790 3.790 3.674 0.116 25524 21 1 . 1 1 6 6 VAL CA C 6 66.564 66.564 65.686 0.877 25524 22 1 . 1 1 6 6 VAL CB C 6 33.200 33.200 31.140 2.060 25524 23 1 . 1 1 6 6 VAL H H 6 7.741 7.741 7.837 -0.096 25524 24 1 . 1 1 7 7 GLY N N 7 106.931 106.931 107.164 -0.233 25524 25 1 . 1 1 7 7 GLY CA C 7 47.124 47.124 47.072 0.052 25524 26 1 . 1 1 7 7 GLY H H 7 8.122 8.122 7.783 0.339 25524 27 1 . 1 1 8 8 HIS N N 8 115.776 115.776 118.928 -3.152 25524 28 1 . 1 1 8 8 HIS HA H 8 4.473 4.473 4.549 -0.076 25524 29 1 . 1 1 8 8 HIS CA C 8 59.237 59.237 57.012 2.225 25524 30 1 . 1 1 8 8 HIS CB C 8 29.453 29.453 30.657 -1.204 25524 31 1 . 1 1 8 8 HIS H H 8 7.753 7.753 7.745 0.008 25524 32 1 . 1 1 9 9 LEU N N 9 120.807 120.807 119.812 0.995 25524 33 1 . 1 1 9 9 LEU HA H 9 4.329 4.329 4.128 0.201 25524 34 1 . 1 1 9 9 LEU CA C 9 57.601 57.601 56.629 0.972 25524 35 1 . 1 1 9 9 LEU CB C 9 43.567 43.567 42.446 1.121 25524 36 1 . 1 1 9 9 LEU H H 9 8.021 8.021 7.797 0.224 25524 stop_ save_