data_11038_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 11038
_Entry.PDB_ID 2ROH
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1118 . 1 1 1 A 114 114 ASP N N 2 123.201 113.175 10.026 1
1 1119 . 1 1 1 A 114 114 ASP H H 2 8.265 7.890 0.375 1
1 1120 . 1 1 1 A 114 114 ASP CA C 2 52.187 55.242 -3.055 1
1 1121 . 1 1 1 A 114 114 ASP HA H 2 4.580 4.984 -0.404 1
1 1122 . 1 1 1 A 114 114 ASP CB C 2 39.357 64.141 -24.784 1
1 1125 . 1 1 1 A 114 114 ASP C C 2 176.910 172.366 4.544 1
1 1126 . 1 1 1 A 115 115 SER N N 3 116.588 135.791 -19.203 1
1 1128 . 1 1 1 A 115 115 SER CA C 3 56.867 62.412 -5.545 1
1 1129 . 1 1 1 A 115 115 SER HA H 3 4.344 4.763 -0.419 1
1 1130 . 1 1 1 A 115 115 SER CB C 3 61.566 33.188 28.378 1
1 1133 . 1 1 1 A 115 115 SER C C 3 175.355 175.055 0.300 1
1 1134 . 1 1 1 A 116 116 SER N N 4 117.864 119.682 -1.818 1
1 1135 . 1 1 1 A 116 116 SER H H 4 8.366 8.629 -0.263 1
1 1136 . 1 1 1 A 116 116 SER CA C 4 57.218 56.533 0.685 1
1 1137 . 1 1 1 A 116 116 SER HA H 4 4.345 5.054 -0.709 1
1 1138 . 1 1 1 A 116 116 SER CB C 4 61.526 42.770 18.756 1
1 1141 . 1 1 1 A 116 116 SER C C 4 175.309 175.315 -0.006 1
1 1142 . 1 1 1 A 117 117 GLY N N 5 110.356 121.555 -11.199 1
1 1143 . 1 1 1 A 117 117 GLY H H 5 8.280 8.613 -0.333 1
1 1144 . 1 1 1 A 117 117 GLY CA C 5 43.301 53.063 -9.762 1
1 1147 . 1 1 1 A 117 117 GLY C C 5 173.950 175.773 -1.823 1
1 1148 . 1 1 1 A 118 118 ARG N N 6 120.552 114.361 6.191 1
1 1149 . 1 1 1 A 118 118 ARG H H 6 7.896 7.876 0.020 1
1 1150 . 1 1 1 A 118 118 ARG CA C 6 53.974 51.547 2.427 1
1 1151 . 1 1 1 A 118 118 ARG HA H 6 4.276 5.008 -0.732 1
1 1152 . 1 1 1 A 118 118 ARG CB C 6 28.501 42.137 -13.636 1
1 1157 . 1 1 1 A 118 118 ARG C C 6 176.000 176.194 -0.194 1
1 1158 . 1 1 1 A 119 119 ILE N N 7 123.548 134.906 -11.358 1
1 1160 . 1 1 1 A 119 119 ILE CA C 7 58.678 64.984 -6.306 1
1 1161 . 1 1 1 A 119 119 ILE HA H 7 4.044 4.349 -0.305 1
1 1162 . 1 1 1 A 119 119 ILE CB C 7 36.336 31.798 4.538 1
1 1175 . 1 1 1 A 119 119 ILE C C 7 176.188 177.541 -1.353 1
1 1176 . 1 1 1 A 120 120 VAL N N 8 125.619 117.689 7.930 1
1 1177 . 1 1 1 A 120 120 VAL H H 8 8.270 8.143 0.127 1
1 1178 . 1 1 1 A 120 120 VAL CA C 8 60.094 53.898 6.196 1
1 1179 . 1 1 1 A 120 120 VAL HA H 8 4.147 4.372 -0.225 1
1 1180 . 1 1 1 A 120 120 VAL CB C 8 30.545 36.809 -6.264 1
1 1186 . 1 1 1 A 120 120 VAL C C 8 176.208 174.340 1.868 1
1 1187 . 1 1 1 A 121 121 THR N N 9 118.036 115.140 2.896 1
1 1188 . 1 1 1 A 121 121 THR H H 9 8.207 7.738 0.469 1
1 1189 . 1 1 1 A 121 121 THR CA C 9 59.152 59.662 -0.510 1
1 1190 . 1 1 1 A 121 121 THR HA H 9 4.355 4.416 -0.061 1
1 1191 . 1 1 1 A 121 121 THR CB C 9 67.781 63.753 4.028 1
1 1196 . 1 1 1 A 121 121 THR C C 9 173.524 174.514 -0.990 1
1 1197 . 1 1 1 A 122 122 LEU N N 10 128.102 125.561 2.541 1
1 1198 . 1 1 1 A 122 122 LEU H H 10 7.877 8.645 -0.768 1
1 1199 . 1 1 1 A 122 122 LEU CA C 10 53.760 54.178 -0.418 1
1 1118 . 2 1 1 A 114 114 ASP N N 2 123.201 114.837 8.364 1
1 1119 . 2 1 1 A 114 114 ASP H H 2 8.265 8.276 -0.011 1
1 1120 . 2 1 1 A 114 114 ASP CA C 2 52.187 59.095 -6.908 1
1 1121 . 2 1 1 A 114 114 ASP HA H 2 4.580 4.534 0.046 1
1 1122 . 2 1 1 A 114 114 ASP CB C 2 39.357 64.600 -25.243 1
1 1125 . 2 1 1 A 114 114 ASP C C 2 176.910 173.647 3.263 1
1 1126 . 2 1 1 A 115 115 SER N N 3 116.588 134.406 -17.818 1
1 1128 . 2 1 1 A 115 115 SER CA C 3 56.867 62.649 -5.782 1
1 1129 . 2 1 1 A 115 115 SER HA H 3 4.344 4.602 -0.258 1
1 1130 . 2 1 1 A 115 115 SER CB C 3 61.566 30.515 31.051 1
1 1133 . 2 1 1 A 115 115 SER C C 3 175.355 175.763 -0.408 1
1 1134 . 2 1 1 A 116 116 SER N N 4 117.864 124.767 -6.903 1
1 1135 . 2 1 1 A 116 116 SER H H 4 8.366 8.979 -0.613 1
1 1136 . 2 1 1 A 116 116 SER CA C 4 57.218 56.996 0.222 1
1 1137 . 2 1 1 A 116 116 SER HA H 4 4.345 4.893 -0.548 1
1 1138 . 2 1 1 A 116 116 SER CB C 4 61.526 39.615 21.911 1
1 1141 . 2 1 1 A 116 116 SER C C 4 175.309 175.113 0.196 1
1 1142 . 2 1 1 A 117 117 GLY N N 5 110.356 127.603 -17.247 1
1 1143 . 2 1 1 A 117 117 GLY H H 5 8.280 9.214 -0.934 1
1 1144 . 2 1 1 A 117 117 GLY CA C 5 43.301 50.165 -6.864 1
1 1147 . 2 1 1 A 117 117 GLY C C 5 173.950 175.849 -1.899 1
1 1148 . 2 1 1 A 118 118 ARG N N 6 120.552 119.486 1.066 1
1 1149 . 2 1 1 A 118 118 ARG H H 6 7.896 9.024 -1.128 1
1 1150 . 2 1 1 A 118 118 ARG CA C 6 53.974 51.539 2.435 1
1 1151 . 2 1 1 A 118 118 ARG HA H 6 4.276 5.199 -0.923 1
1 1152 . 2 1 1 A 118 118 ARG CB C 6 28.501 42.552 -14.051 1
1 1157 . 2 1 1 A 118 118 ARG C C 6 176.000 174.437 1.563 1
1 1158 . 2 1 1 A 119 119 ILE N N 7 123.548 135.083 -11.535 1
1 1160 . 2 1 1 A 119 119 ILE CA C 7 58.678 62.340 -3.662 1
1 1161 . 2 1 1 A 119 119 ILE HA H 7 4.044 4.611 -0.567 1
1 1162 . 2 1 1 A 119 119 ILE CB C 7 36.336 33.005 3.331 1
1 1175 . 2 1 1 A 119 119 ILE C C 7 176.188 175.167 1.021 1
1 1176 . 2 1 1 A 120 120 VAL N N 8 125.619 119.068 6.551 1
1 1177 . 2 1 1 A 120 120 VAL H H 8 8.270 8.493 -0.223 1
1 1178 . 2 1 1 A 120 120 VAL CA C 8 60.094 52.319 7.775 1
1 1179 . 2 1 1 A 120 120 VAL HA H 8 4.147 5.273 -1.126 1
1 1180 . 2 1 1 A 120 120 VAL CB C 8 30.545 40.074 -9.529 1
1 1186 . 2 1 1 A 120 120 VAL C C 8 176.208 174.148 2.060 1
1 1187 . 2 1 1 A 121 121 THR N N 9 118.036 118.353 -0.317 1
1 1188 . 2 1 1 A 121 121 THR H H 9 8.207 8.992 -0.785 1
1 1189 . 2 1 1 A 121 121 THR CA C 9 59.152 56.458 2.694 1
1 1190 . 2 1 1 A 121 121 THR HA H 9 4.355 5.323 -0.968 1
1 1191 . 2 1 1 A 121 121 THR CB C 9 67.781 65.957 1.824 1
1 1196 . 2 1 1 A 121 121 THR C C 9 173.524 173.164 0.360 1
1 1197 . 2 1 1 A 122 122 LEU N N 10 128.102 124.036 4.066 1
1 1198 . 2 1 1 A 122 122 LEU H H 10 7.877 8.849 -0.972 1
1 1199 . 2 1 1 A 122 122 LEU CA C 10 53.760 53.218 0.542 1
1 1118 . 3 1 1 A 114 114 ASP N N 2 123.201 112.677 10.524 1
1 1119 . 3 1 1 A 114 114 ASP H H 2 8.265 8.300 -0.035 1
1 1120 . 3 1 1 A 114 114 ASP CA C 2 52.187 55.363 -3.176 1
1 1121 . 3 1 1 A 114 114 ASP HA H 2 4.580 5.017 -0.437 1
1 1122 . 3 1 1 A 114 114 ASP CB C 2 39.357 64.097 -24.740 1
1 1125 . 3 1 1 A 114 114 ASP C C 2 176.910 172.027 4.883 1
1 1126 . 3 1 1 A 115 115 SER N N 3 116.588 135.894 -19.306 1
1 1128 . 3 1 1 A 115 115 SER CA C 3 56.867 62.687 -5.820 1
1 1129 . 3 1 1 A 115 115 SER HA H 3 4.344 4.311 0.033 1
1 1130 . 3 1 1 A 115 115 SER CB C 3 61.566 31.498 30.068 1
1 1133 . 3 1 1 A 115 115 SER C C 3 175.355 177.490 -2.135 1
1 1134 . 3 1 1 A 116 116 SER N N 4 117.864 123.926 -6.062 1
1 1135 . 3 1 1 A 116 116 SER H H 4 8.366 8.119 0.247 1
1 1136 . 3 1 1 A 116 116 SER CA C 4 57.218 60.860 -3.642 1
1 1137 . 3 1 1 A 116 116 SER HA H 4 4.345 4.204 0.141 1
1 1138 . 3 1 1 A 116 116 SER CB C 4 61.526 37.809 23.717 1
1 1141 . 3 1 1 A 116 116 SER C C 4 175.309 175.900 -0.591 1
1 1142 . 3 1 1 A 117 117 GLY N N 5 110.356 119.612 -9.256 1
1 1143 . 3 1 1 A 117 117 GLY H H 5 8.280 7.645 0.635 1
1 1144 . 3 1 1 A 117 117 GLY CA C 5 43.301 53.214 -9.913 1
1 1147 . 3 1 1 A 117 117 GLY C C 5 173.950 176.221 -2.271 1
1 1148 . 3 1 1 A 118 118 ARG N N 6 120.552 117.909 2.643 1
1 1149 . 3 1 1 A 118 118 ARG H H 6 7.896 8.411 -0.515 1
1 1150 . 3 1 1 A 118 118 ARG CA C 6 53.974 53.003 0.971 1
1 1151 . 3 1 1 A 118 118 ARG HA H 6 4.276 4.772 -0.496 1
1 1152 . 3 1 1 A 118 118 ARG CB C 6 28.501 39.412 -10.911 1
1 1157 . 3 1 1 A 118 118 ARG C C 6 176.000 174.354 1.646 1
1 1158 . 3 1 1 A 119 119 ILE N N 7 123.548 136.761 -13.213 1
1 1160 . 3 1 1 A 119 119 ILE CA C 7 58.678 62.672 -3.994 1
1 1161 . 3 1 1 A 119 119 ILE HA H 7 4.044 4.722 -0.678 1
1 1162 . 3 1 1 A 119 119 ILE CB C 7 36.336 31.755 4.581 1
1 1175 . 3 1 1 A 119 119 ILE C C 7 176.188 175.556 0.632 1
1 1176 . 3 1 1 A 120 120 VAL N N 8 125.619 121.782 3.837 1
1 1177 . 3 1 1 A 120 120 VAL H H 8 8.270 8.671 -0.401 1
1 1178 . 3 1 1 A 120 120 VAL CA C 8 60.094 51.831 8.263 1
1 1179 . 3 1 1 A 120 120 VAL HA H 8 4.147 5.121 -0.974 1
1 1180 . 3 1 1 A 120 120 VAL CB C 8 30.545 39.319 -8.774 1
1 1186 . 3 1 1 A 120 120 VAL C C 8 176.208 173.687 2.521 1
1 1187 . 3 1 1 A 121 121 THR N N 9 118.036 121.011 -2.975 1
1 1188 . 3 1 1 A 121 121 THR H H 9 8.207 8.821 -0.614 1
1 1189 . 3 1 1 A 121 121 THR CA C 9 59.152 56.963 2.189 1
1 1190 . 3 1 1 A 121 121 THR HA H 9 4.355 5.351 -0.996 1
1 1191 . 3 1 1 A 121 121 THR CB C 9 67.781 65.686 2.095 1
1 1196 . 3 1 1 A 121 121 THR C C 9 173.524 172.301 1.223 1
1 1197 . 3 1 1 A 122 122 LEU N N 10 128.102 121.496 6.606 1
1 1198 . 3 1 1 A 122 122 LEU H H 10 7.877 8.858 -0.981 1
1 1199 . 3 1 1 A 122 122 LEU CA C 10 53.760 53.849 -0.089 1
1 1118 . 4 1 1 A 114 114 ASP N N 2 123.201 115.592 7.609 1
1 1119 . 4 1 1 A 114 114 ASP H H 2 8.265 8.193 0.072 1
1 1120 . 4 1 1 A 114 114 ASP CA C 2 52.187 57.032 -4.845 1
1 1121 . 4 1 1 A 114 114 ASP HA H 2 4.580 4.742 -0.162 1
1 1122 . 4 1 1 A 114 114 ASP CB C 2 39.357 62.788 -23.431 1
1 1125 . 4 1 1 A 114 114 ASP C C 2 176.910 172.466 4.444 1
1 1126 . 4 1 1 A 115 115 SER N N 3 116.588 137.987 -21.399 1
1 1128 . 4 1 1 A 115 115 SER CA C 3 56.867 62.576 -5.709 1
1 1129 . 4 1 1 A 115 115 SER HA H 3 4.344 4.773 -0.429 1
1 1130 . 4 1 1 A 115 115 SER CB C 3 61.566 33.205 28.361 1
1 1133 . 4 1 1 A 115 115 SER C C 3 175.355 175.819 -0.464 1
1 1134 . 4 1 1 A 116 116 SER N N 4 117.864 124.456 -6.592 1
1 1135 . 4 1 1 A 116 116 SER H H 4 8.366 8.859 -0.493 1
1 1136 . 4 1 1 A 116 116 SER CA C 4 57.218 57.092 0.126 1
1 1137 . 4 1 1 A 116 116 SER HA H 4 4.345 5.091 -0.746 1
1 1138 . 4 1 1 A 116 116 SER CB C 4 61.526 42.349 19.177 1
1 1141 . 4 1 1 A 116 116 SER C C 4 175.309 174.262 1.047 1
1 1142 . 4 1 1 A 117 117 GLY N N 5 110.356 129.482 -19.126 1
1 1143 . 4 1 1 A 117 117 GLY H H 5 8.280 8.435 -0.155 1
1 1144 . 4 1 1 A 117 117 GLY CA C 5 43.301 49.728 -6.427 1
1 1147 . 4 1 1 A 117 117 GLY C C 5 173.950 175.691 -1.741 1
1 1148 . 4 1 1 A 118 118 ARG N N 6 120.552 120.202 0.350 1
1 1149 . 4 1 1 A 118 118 ARG H H 6 7.896 8.394 -0.498 1
1 1150 . 4 1 1 A 118 118 ARG CA C 6 53.974 52.758 1.216 1
1 1151 . 4 1 1 A 118 118 ARG HA H 6 4.276 4.889 -0.613 1
1 1152 . 4 1 1 A 118 118 ARG CB C 6 28.501 39.721 -11.220 1
1 1157 . 4 1 1 A 118 118 ARG C C 6 176.000 174.125 1.875 1
1 1158 . 4 1 1 A 119 119 ILE N N 7 123.548 135.827 -12.279 1
1 1160 . 4 1 1 A 119 119 ILE CA C 7 58.678 62.443 -3.765 1
1 1161 . 4 1 1 A 119 119 ILE HA H 7 4.044 4.536 -0.492 1
1 1162 . 4 1 1 A 119 119 ILE CB C 7 36.336 33.045 3.291 1
1 1175 . 4 1 1 A 119 119 ILE C C 7 176.188 175.346 0.842 1
1 1176 . 4 1 1 A 120 120 VAL N N 8 125.619 117.376 8.243 1
1 1177 . 4 1 1 A 120 120 VAL H H 8 8.270 8.583 -0.313 1
1 1178 . 4 1 1 A 120 120 VAL CA C 8 60.094 52.047 8.047 1
1 1179 . 4 1 1 A 120 120 VAL HA H 8 4.147 5.196 -1.049 1
1 1180 . 4 1 1 A 120 120 VAL CB C 8 30.545 43.107 -12.562 1
1 1186 . 4 1 1 A 120 120 VAL C C 8 176.208 173.384 2.824 1
1 1187 . 4 1 1 A 121 121 THR N N 9 118.036 116.506 1.530 1
1 1188 . 4 1 1 A 121 121 THR H H 9 8.207 8.696 -0.489 1
1 1189 . 4 1 1 A 121 121 THR CA C 9 59.152 56.928 2.224 1
1 1190 . 4 1 1 A 121 121 THR HA H 9 4.355 4.896 -0.541 1
1 1191 . 4 1 1 A 121 121 THR CB C 9 67.781 65.097 2.684 1
1 1196 . 4 1 1 A 121 121 THR C C 9 173.524 172.381 1.143 1
1 1197 . 4 1 1 A 122 122 LEU N N 10 128.102 123.429 4.673 1
1 1198 . 4 1 1 A 122 122 LEU H H 10 7.877 8.373 -0.496 1
1 1199 . 4 1 1 A 122 122 LEU CA C 10 53.760 53.197 0.563 1
1 1118 . 5 1 1 A 114 114 ASP N N 2 123.201 112.002 11.199 1
1 1119 . 5 1 1 A 114 114 ASP H H 2 8.265 8.127 0.138 1
1 1120 . 5 1 1 A 114 114 ASP CA C 2 52.187 55.455 -3.268 1
1 1121 . 5 1 1 A 114 114 ASP HA H 2 4.580 5.013 -0.433 1
1 1122 . 5 1 1 A 114 114 ASP CB C 2 39.357 65.453 -26.096 1
1 1125 . 5 1 1 A 114 114 ASP C C 2 176.910 174.033 2.877 1
1 1126 . 5 1 1 A 115 115 SER N N 3 116.588 137.373 -20.785 1
1 1128 . 5 1 1 A 115 115 SER CA C 3 56.867 64.999 -8.132 1
1 1129 . 5 1 1 A 115 115 SER HA H 3 4.344 4.392 -0.048 1
1 1130 . 5 1 1 A 115 115 SER CB C 3 61.566 31.942 29.624 1
1 1133 . 5 1 1 A 115 115 SER C C 3 175.355 177.803 -2.448 1
1 1134 . 5 1 1 A 116 116 SER N N 4 117.864 119.062 -1.198 1
1 1135 . 5 1 1 A 116 116 SER H H 4 8.366 8.155 0.211 1
1 1136 . 5 1 1 A 116 116 SER CA C 4 57.218 59.072 -1.854 1
1 1137 . 5 1 1 A 116 116 SER HA H 4 4.345 4.118 0.227 1
1 1138 . 5 1 1 A 116 116 SER CB C 4 61.526 37.469 24.057 1
1 1141 . 5 1 1 A 116 116 SER C C 4 175.309 174.096 1.213 1
1 1142 . 5 1 1 A 117 117 GLY N N 5 110.356 121.202 -10.846 1
1 1143 . 5 1 1 A 117 117 GLY H H 5 8.280 7.664 0.616 1
1 1144 . 5 1 1 A 117 117 GLY CA C 5 43.301 50.530 -7.229 1
1 1147 . 5 1 1 A 117 117 GLY C C 5 173.950 175.063 -1.113 1
1 1148 . 5 1 1 A 118 118 ARG N N 6 120.552 123.489 -2.937 1
1 1149 . 5 1 1 A 118 118 ARG H H 6 7.896 8.525 -0.629 1
1 1150 . 5 1 1 A 118 118 ARG CA C 6 53.974 51.198 2.776 1
1 1151 . 5 1 1 A 118 118 ARG HA H 6 4.276 5.010 -0.734 1
1 1152 . 5 1 1 A 118 118 ARG CB C 6 28.501 41.894 -13.393 1
1 1157 . 5 1 1 A 118 118 ARG C C 6 176.000 175.284 0.716 1
1 1158 . 5 1 1 A 119 119 ILE N N 7 123.548 139.940 -16.392 1
1 1160 . 5 1 1 A 119 119 ILE CA C 7 58.678 64.270 -5.592 1
1 1161 . 5 1 1 A 119 119 ILE HA H 7 4.044 4.526 -0.482 1
1 1162 . 5 1 1 A 119 119 ILE CB C 7 36.336 32.318 4.018 1
1 1175 . 5 1 1 A 119 119 ILE C C 7 176.188 176.245 -0.057 1
1 1176 . 5 1 1 A 120 120 VAL N N 8 125.619 115.983 9.636 1
1 1177 . 5 1 1 A 120 120 VAL H H 8 8.270 7.799 0.471 1
1 1178 . 5 1 1 A 120 120 VAL CA C 8 60.094 52.009 8.085 1
1 1179 . 5 1 1 A 120 120 VAL HA H 8 4.147 5.178 -1.031 1
1 1180 . 5 1 1 A 120 120 VAL CB C 8 30.545 41.733 -11.188 1
1 1186 . 5 1 1 A 120 120 VAL C C 8 176.208 173.518 2.690 1
1 1187 . 5 1 1 A 121 121 THR N N 9 118.036 122.332 -4.296 1
1 1188 . 5 1 1 A 121 121 THR H H 9 8.207 8.938 -0.731 1
1 1189 . 5 1 1 A 121 121 THR CA C 9 59.152 56.982 2.170 1
1 1190 . 5 1 1 A 121 121 THR HA H 9 4.355 4.781 -0.426 1
1 1191 . 5 1 1 A 121 121 THR CB C 9 67.781 64.013 3.768 1
1 1196 . 5 1 1 A 121 121 THR C C 9 173.524 172.812 0.712 1
1 1197 . 5 1 1 A 122 122 LEU N N 10 128.102 126.074 2.028 1
1 1198 . 5 1 1 A 122 122 LEU H H 10 7.877 7.522 0.355 1
1 1199 . 5 1 1 A 122 122 LEU CA C 10 53.760 53.895 -0.135 1
1 1118 . 6 1 1 A 114 114 ASP N N 2 123.201 116.620 6.581 1
1 1119 . 6 1 1 A 114 114 ASP H H 2 8.265 7.874 0.391 1
1 1120 . 6 1 1 A 114 114 ASP CA C 2 52.187 55.732 -3.545 1
1 1121 . 6 1 1 A 114 114 ASP HA H 2 4.580 5.006 -0.426 1
1 1122 . 6 1 1 A 114 114 ASP CB C 2 39.357 63.460 -24.103 1
1 1125 . 6 1 1 A 114 114 ASP C C 2 176.910 172.340 4.570 1
1 1126 . 6 1 1 A 115 115 SER N N 3 116.588 139.158 -22.570 1
1 1128 . 6 1 1 A 115 115 SER CA C 3 56.867 62.607 -5.740 1
1 1129 . 6 1 1 A 115 115 SER HA H 3 4.344 5.030 -0.686 1
1 1130 . 6 1 1 A 115 115 SER CB C 3 61.566 33.362 28.204 1
1 1133 . 6 1 1 A 115 115 SER C C 3 175.355 175.383 -0.028 1
1 1134 . 6 1 1 A 116 116 SER N N 4 117.864 123.095 -5.231 1
1 1135 . 6 1 1 A 116 116 SER H H 4 8.366 8.940 -0.574 1
1 1136 . 6 1 1 A 116 116 SER CA C 4 57.218 58.222 -1.004 1
1 1137 . 6 1 1 A 116 116 SER HA H 4 4.345 4.843 -0.498 1
1 1138 . 6 1 1 A 116 116 SER CB C 4 61.526 41.946 19.580 1
1 1141 . 6 1 1 A 116 116 SER C C 4 175.309 173.520 1.789 1
1 1142 . 6 1 1 A 117 117 GLY N N 5 110.356 126.967 -16.611 1
1 1143 . 6 1 1 A 117 117 GLY H H 5 8.280 7.703 0.577 1
1 1144 . 6 1 1 A 117 117 GLY CA C 5 43.301 50.547 -7.246 1
1 1147 . 6 1 1 A 117 117 GLY C C 5 173.950 176.760 -2.810 1
1 1148 . 6 1 1 A 118 118 ARG N N 6 120.552 122.863 -2.311 1
1 1149 . 6 1 1 A 118 118 ARG H H 6 7.896 8.661 -0.765 1
1 1150 . 6 1 1 A 118 118 ARG CA C 6 53.974 51.706 2.268 1
1 1151 . 6 1 1 A 118 118 ARG HA H 6 4.276 5.048 -0.772 1
1 1152 . 6 1 1 A 118 118 ARG CB C 6 28.501 40.285 -11.784 1
1 1157 . 6 1 1 A 118 118 ARG C C 6 176.000 174.043 1.957 1
1 1158 . 6 1 1 A 119 119 ILE N N 7 123.548 135.009 -11.461 1
1 1160 . 6 1 1 A 119 119 ILE CA C 7 58.678 62.774 -4.096 1
1 1161 . 6 1 1 A 119 119 ILE HA H 7 4.044 4.627 -0.583 1
1 1162 . 6 1 1 A 119 119 ILE CB C 7 36.336 31.689 4.647 1
1 1175 . 6 1 1 A 119 119 ILE C C 7 176.188 177.534 -1.346 1
1 1176 . 6 1 1 A 120 120 VAL N N 8 125.619 123.720 1.899 1
1 1177 . 6 1 1 A 120 120 VAL H H 8 8.270 8.814 -0.544 1
1 1178 . 6 1 1 A 120 120 VAL CA C 8 60.094 55.992 4.102 1
1 1179 . 6 1 1 A 120 120 VAL HA H 8 4.147 4.427 -0.280 1
1 1180 . 6 1 1 A 120 120 VAL CB C 8 30.545 38.639 -8.094 1
1 1186 . 6 1 1 A 120 120 VAL C C 8 176.208 175.856 0.352 1
1 1187 . 6 1 1 A 121 121 THR N N 9 118.036 114.767 3.269 1
1 1188 . 6 1 1 A 121 121 THR H H 9 8.207 8.086 0.121 1
1 1189 . 6 1 1 A 121 121 THR CA C 9 59.152 59.329 -0.177 1
1 1190 . 6 1 1 A 121 121 THR HA H 9 4.355 4.121 0.234 1
1 1191 . 6 1 1 A 121 121 THR CB C 9 67.781 61.975 5.806 1
1 1196 . 6 1 1 A 121 121 THR C C 9 173.524 174.475 -0.951 1
1 1197 . 6 1 1 A 122 122 LEU N N 10 128.102 122.921 5.181 1
1 1198 . 6 1 1 A 122 122 LEU H H 10 7.877 7.881 -0.004 1
1 1199 . 6 1 1 A 122 122 LEU CA C 10 53.760 54.748 -0.988 1
1 1118 . 7 1 1 A 114 114 ASP N N 2 123.201 116.459 6.742 1
1 1119 . 7 1 1 A 114 114 ASP H H 2 8.265 8.094 0.171 1
1 1120 . 7 1 1 A 114 114 ASP CA C 2 52.187 56.199 -4.012 1
1 1121 . 7 1 1 A 114 114 ASP HA H 2 4.580 4.884 -0.304 1
1 1122 . 7 1 1 A 114 114 ASP CB C 2 39.357 63.197 -23.840 1
1 1125 . 7 1 1 A 114 114 ASP C C 2 176.910 172.220 4.690 1
1 1126 . 7 1 1 A 115 115 SER N N 3 116.588 138.872 -22.284 1
1 1128 . 7 1 1 A 115 115 SER CA C 3 56.867 62.660 -5.793 1
1 1129 . 7 1 1 A 115 115 SER HA H 3 4.344 4.654 -0.310 1
1 1130 . 7 1 1 A 115 115 SER CB C 3 61.566 30.684 30.882 1
1 1133 . 7 1 1 A 115 115 SER C C 3 175.355 176.090 -0.735 1
1 1134 . 7 1 1 A 116 116 SER N N 4 117.864 124.489 -6.625 1
1 1135 . 7 1 1 A 116 116 SER H H 4 8.366 8.869 -0.503 1
1 1136 . 7 1 1 A 116 116 SER CA C 4 57.218 56.357 0.861 1
1 1137 . 7 1 1 A 116 116 SER HA H 4 4.345 4.583 -0.238 1
1 1138 . 7 1 1 A 116 116 SER CB C 4 61.526 37.464 24.062 1
1 1141 . 7 1 1 A 116 116 SER C C 4 175.309 173.702 1.607 1
1 1142 . 7 1 1 A 117 117 GLY N N 5 110.356 125.860 -15.504 1
1 1143 . 7 1 1 A 117 117 GLY H H 5 8.280 8.085 0.195 1
1 1144 . 7 1 1 A 117 117 GLY CA C 5 43.301 50.157 -6.856 1
1 1147 . 7 1 1 A 117 117 GLY C C 5 173.950 175.900 -1.950 1
1 1148 . 7 1 1 A 118 118 ARG N N 6 120.552 122.482 -1.930 1
1 1149 . 7 1 1 A 118 118 ARG H H 6 7.896 8.611 -0.715 1
1 1150 . 7 1 1 A 118 118 ARG CA C 6 53.974 50.677 3.297 1
1 1151 . 7 1 1 A 118 118 ARG HA H 6 4.276 5.000 -0.724 1
1 1152 . 7 1 1 A 118 118 ARG CB C 6 28.501 42.036 -13.535 1
1 1157 . 7 1 1 A 118 118 ARG C C 6 176.000 173.920 2.080 1
1 1158 . 7 1 1 A 119 119 ILE N N 7 123.548 137.046 -13.498 1
1 1160 . 7 1 1 A 119 119 ILE CA C 7 58.678 62.306 -3.628 1
1 1161 . 7 1 1 A 119 119 ILE HA H 7 4.044 4.687 -0.643 1
1 1162 . 7 1 1 A 119 119 ILE CB C 7 36.336 30.077 6.259 1
1 1175 . 7 1 1 A 119 119 ILE C C 7 176.188 176.072 0.116 1
1 1176 . 7 1 1 A 120 120 VAL N N 8 125.619 121.825 3.794 1
1 1177 . 7 1 1 A 120 120 VAL H H 8 8.270 8.324 -0.054 1
1 1178 . 7 1 1 A 120 120 VAL CA C 8 60.094 52.935 7.159 1
1 1179 . 7 1 1 A 120 120 VAL HA H 8 4.147 4.929 -0.782 1
1 1180 . 7 1 1 A 120 120 VAL CB C 8 30.545 38.784 -8.239 1
1 1186 . 7 1 1 A 120 120 VAL C C 8 176.208 174.214 1.994 1
1 1187 . 7 1 1 A 121 121 THR N N 9 118.036 120.178 -2.142 1
1 1188 . 7 1 1 A 121 121 THR H H 9 8.207 8.573 -0.366 1
1 1189 . 7 1 1 A 121 121 THR CA C 9 59.152 57.381 1.771 1
1 1190 . 7 1 1 A 121 121 THR HA H 9 4.355 5.033 -0.678 1
1 1191 . 7 1 1 A 121 121 THR CB C 9 67.781 65.513 2.268 1
1 1196 . 7 1 1 A 121 121 THR C C 9 173.524 172.432 1.092 1
1 1197 . 7 1 1 A 122 122 LEU N N 10 128.102 128.491 -0.389 1
1 1198 . 7 1 1 A 122 122 LEU H H 10 7.877 8.919 -1.042 1
1 1199 . 7 1 1 A 122 122 LEU CA C 10 53.760 54.140 -0.380 1
1 1118 . 8 1 1 A 114 114 ASP N N 2 123.201 116.585 6.616 1
1 1119 . 8 1 1 A 114 114 ASP H H 2 8.265 8.012 0.253 1
1 1120 . 8 1 1 A 114 114 ASP CA C 2 52.187 56.054 -3.867 1
1 1121 . 8 1 1 A 114 114 ASP HA H 2 4.580 4.998 -0.418 1
1 1122 . 8 1 1 A 114 114 ASP CB C 2 39.357 63.380 -24.023 1
1 1125 . 8 1 1 A 114 114 ASP C C 2 176.910 172.384 4.526 1
1 1126 . 8 1 1 A 115 115 SER N N 3 116.588 138.820 -22.232 1
1 1128 . 8 1 1 A 115 115 SER CA C 3 56.867 62.337 -5.470 1
1 1129 . 8 1 1 A 115 115 SER HA H 3 4.344 4.664 -0.320 1
1 1130 . 8 1 1 A 115 115 SER CB C 3 61.566 32.762 28.804 1
1 1133 . 8 1 1 A 115 115 SER C C 3 175.355 176.058 -0.703 1
1 1134 . 8 1 1 A 116 116 SER N N 4 117.864 122.078 -4.214 1
1 1135 . 8 1 1 A 116 116 SER H H 4 8.366 8.698 -0.332 1
1 1136 . 8 1 1 A 116 116 SER CA C 4 57.218 57.600 -0.382 1
1 1137 . 8 1 1 A 116 116 SER HA H 4 4.345 4.851 -0.506 1
1 1138 . 8 1 1 A 116 116 SER CB C 4 61.526 40.766 20.760 1
1 1141 . 8 1 1 A 116 116 SER C C 4 175.309 174.302 1.007 1
1 1142 . 8 1 1 A 117 117 GLY N N 5 110.356 128.030 -17.674 1
1 1143 . 8 1 1 A 117 117 GLY H H 5 8.280 7.900 0.380 1
1 1144 . 8 1 1 A 117 117 GLY CA C 5 43.301 51.059 -7.758 1
1 1147 . 8 1 1 A 117 117 GLY C C 5 173.950 176.952 -3.002 1
1 1148 . 8 1 1 A 118 118 ARG N N 6 120.552 123.268 -2.716 1
1 1149 . 8 1 1 A 118 118 ARG H H 6 7.896 8.733 -0.837 1
1 1150 . 8 1 1 A 118 118 ARG CA C 6 53.974 52.918 1.056 1
1 1151 . 8 1 1 A 118 118 ARG HA H 6 4.276 4.873 -0.597 1
1 1152 . 8 1 1 A 118 118 ARG CB C 6 28.501 39.711 -11.210 1
1 1157 . 8 1 1 A 118 118 ARG C C 6 176.000 174.364 1.636 1
1 1158 . 8 1 1 A 119 119 ILE N N 7 123.548 137.398 -13.850 1
1 1160 . 8 1 1 A 119 119 ILE CA C 7 58.678 62.513 -3.835 1
1 1161 . 8 1 1 A 119 119 ILE HA H 7 4.044 4.652 -0.608 1
1 1162 . 8 1 1 A 119 119 ILE CB C 7 36.336 30.644 5.692 1
1 1175 . 8 1 1 A 119 119 ILE C C 7 176.188 175.760 0.428 1
1 1176 . 8 1 1 A 120 120 VAL N N 8 125.619 122.566 3.053 1
1 1177 . 8 1 1 A 120 120 VAL H H 8 8.270 8.324 -0.054 1
1 1178 . 8 1 1 A 120 120 VAL CA C 8 60.094 51.995 8.099 1
1 1179 . 8 1 1 A 120 120 VAL HA H 8 4.147 4.899 -0.752 1
1 1180 . 8 1 1 A 120 120 VAL CB C 8 30.545 37.284 -6.739 1
1 1186 . 8 1 1 A 120 120 VAL C C 8 176.208 173.500 2.708 1
1 1187 . 8 1 1 A 121 121 THR N N 9 118.036 118.384 -0.348 1
1 1188 . 8 1 1 A 121 121 THR H H 9 8.207 7.706 0.501 1
1 1189 . 8 1 1 A 121 121 THR CA C 9 59.152 57.636 1.516 1
1 1190 . 8 1 1 A 121 121 THR HA H 9 4.355 5.068 -0.713 1
1 1191 . 8 1 1 A 121 121 THR CB C 9 67.781 67.170 0.611 1
1 1196 . 8 1 1 A 121 121 THR C C 9 173.524 172.629 0.895 1
1 1197 . 8 1 1 A 122 122 LEU N N 10 128.102 123.339 4.763 1
1 1198 . 8 1 1 A 122 122 LEU H H 10 7.877 8.641 -0.764 1
1 1199 . 8 1 1 A 122 122 LEU CA C 10 53.760 53.713 0.047 1
1 1118 . 9 1 1 A 114 114 ASP N N 2 123.201 120.840 2.361 1
1 1119 . 9 1 1 A 114 114 ASP H H 2 8.265 8.988 -0.723 1
1 1120 . 9 1 1 A 114 114 ASP CA C 2 52.187 55.907 -3.720 1
1 1121 . 9 1 1 A 114 114 ASP HA H 2 4.580 5.122 -0.542 1
1 1122 . 9 1 1 A 114 114 ASP CB C 2 39.357 65.696 -26.339 1
1 1125 . 9 1 1 A 114 114 ASP C C 2 176.910 171.544 5.366 1
1 1126 . 9 1 1 A 115 115 SER N N 3 116.588 137.993 -21.405 1
1 1128 . 9 1 1 A 115 115 SER CA C 3 56.867 62.760 -5.893 1
1 1129 . 9 1 1 A 115 115 SER HA H 3 4.344 4.875 -0.531 1
1 1130 . 9 1 1 A 115 115 SER CB C 3 61.566 32.843 28.723 1
1 1133 . 9 1 1 A 115 115 SER C C 3 175.355 176.438 -1.083 1
1 1134 . 9 1 1 A 116 116 SER N N 4 117.864 118.132 -0.268 1
1 1135 . 9 1 1 A 116 116 SER H H 4 8.366 8.535 -0.169 1
1 1136 . 9 1 1 A 116 116 SER CA C 4 57.218 56.596 0.622 1
1 1137 . 9 1 1 A 116 116 SER HA H 4 4.345 4.866 -0.521 1
1 1138 . 9 1 1 A 116 116 SER CB C 4 61.526 40.456 21.070 1
1 1141 . 9 1 1 A 116 116 SER C C 4 175.309 173.723 1.586 1
1 1142 . 9 1 1 A 117 117 GLY N N 5 110.356 120.180 -9.824 1
1 1143 . 9 1 1 A 117 117 GLY H H 5 8.280 8.588 -0.308 1
1 1144 . 9 1 1 A 117 117 GLY CA C 5 43.301 52.877 -9.576 1
1 1147 . 9 1 1 A 117 117 GLY C C 5 173.950 176.432 -2.482 1
1 1148 . 9 1 1 A 118 118 ARG N N 6 120.552 117.310 3.242 1
1 1149 . 9 1 1 A 118 118 ARG H H 6 7.896 8.048 -0.152 1
1 1150 . 9 1 1 A 118 118 ARG CA C 6 53.974 52.788 1.186 1
1 1151 . 9 1 1 A 118 118 ARG HA H 6 4.276 4.649 -0.373 1
1 1152 . 9 1 1 A 118 118 ARG CB C 6 28.501 39.337 -10.836 1
1 1157 . 9 1 1 A 118 118 ARG C C 6 176.000 174.079 1.921 1
1 1158 . 9 1 1 A 119 119 ILE N N 7 123.548 135.657 -12.109 1
1 1160 . 9 1 1 A 119 119 ILE CA C 7 58.678 62.712 -4.034 1
1 1161 . 9 1 1 A 119 119 ILE HA H 7 4.044 4.605 -0.561 1
1 1162 . 9 1 1 A 119 119 ILE CB C 7 36.336 32.918 3.418 1
1 1175 . 9 1 1 A 119 119 ILE C C 7 176.188 176.039 0.149 1
1 1176 . 9 1 1 A 120 120 VAL N N 8 125.619 115.452 10.167 1
1 1177 . 9 1 1 A 120 120 VAL H H 8 8.270 8.399 -0.129 1
1 1178 . 9 1 1 A 120 120 VAL CA C 8 60.094 51.773 8.321 1
1 1179 . 9 1 1 A 120 120 VAL HA H 8 4.147 5.413 -1.266 1
1 1180 . 9 1 1 A 120 120 VAL CB C 8 30.545 42.630 -12.085 1
1 1186 . 9 1 1 A 120 120 VAL C C 8 176.208 173.189 3.019 1
1 1187 . 9 1 1 A 121 121 THR N N 9 118.036 116.350 1.686 1
1 1188 . 9 1 1 A 121 121 THR H H 9 8.207 8.560 -0.353 1
1 1189 . 9 1 1 A 121 121 THR CA C 9 59.152 56.685 2.467 1
1 1190 . 9 1 1 A 121 121 THR HA H 9 4.355 5.311 -0.956 1
1 1191 . 9 1 1 A 121 121 THR CB C 9 67.781 65.225 2.556 1
1 1196 . 9 1 1 A 121 121 THR C C 9 173.524 172.773 0.751 1
1 1197 . 9 1 1 A 122 122 LEU N N 10 128.102 126.579 1.523 1
1 1198 . 9 1 1 A 122 122 LEU H H 10 7.877 8.485 -0.608 1
1 1199 . 9 1 1 A 122 122 LEU CA C 10 53.760 54.643 -0.883 1
1 1118 . 10 1 1 A 114 114 ASP N N 2 123.201 117.282 5.919 1
1 1119 . 10 1 1 A 114 114 ASP H H 2 8.265 8.390 -0.125 1
1 1120 . 10 1 1 A 114 114 ASP CA C 2 52.187 58.906 -6.719 1
1 1121 . 10 1 1 A 114 114 ASP HA H 2 4.580 4.026 0.554 1
1 1122 . 10 1 1 A 114 114 ASP CB C 2 39.357 61.570 -22.213 1
1 1125 . 10 1 1 A 114 114 ASP C C 2 176.910 173.333 3.577 1
1 1126 . 10 1 1 A 115 115 SER N N 3 116.588 134.675 -18.087 1
1 1128 . 10 1 1 A 115 115 SER CA C 3 56.867 62.218 -5.351 1
1 1129 . 10 1 1 A 115 115 SER HA H 3 4.344 4.274 0.070 1
1 1130 . 10 1 1 A 115 115 SER CB C 3 61.566 32.178 29.388 1
1 1133 . 10 1 1 A 115 115 SER C C 3 175.355 175.384 -0.029 1
1 1134 . 10 1 1 A 116 116 SER N N 4 117.864 120.983 -3.119 1
1 1135 . 10 1 1 A 116 116 SER H H 4 8.366 8.305 0.061 1
1 1136 . 10 1 1 A 116 116 SER CA C 4 57.218 57.243 -0.025 1
1 1137 . 10 1 1 A 116 116 SER HA H 4 4.345 4.710 -0.365 1
1 1138 . 10 1 1 A 116 116 SER CB C 4 61.526 39.185 22.341 1
1 1141 . 10 1 1 A 116 116 SER C C 4 175.309 175.470 -0.161 1
1 1142 . 10 1 1 A 117 117 GLY N N 5 110.356 127.434 -17.078 1
1 1143 . 10 1 1 A 117 117 GLY H H 5 8.280 8.620 -0.340 1
1 1144 . 10 1 1 A 117 117 GLY CA C 5 43.301 53.138 -9.837 1
1 1147 . 10 1 1 A 117 117 GLY C C 5 173.950 176.940 -2.990 1
1 1148 . 10 1 1 A 118 118 ARG N N 6 120.552 116.136 4.416 1
1 1149 . 10 1 1 A 118 118 ARG H H 6 7.896 7.827 0.069 1
1 1150 . 10 1 1 A 118 118 ARG CA C 6 53.974 51.366 2.608 1
1 1151 . 10 1 1 A 118 118 ARG HA H 6 4.276 5.214 -0.938 1
1 1152 . 10 1 1 A 118 118 ARG CB C 6 28.501 42.319 -13.818 1
1 1157 . 10 1 1 A 118 118 ARG C C 6 176.000 174.318 1.682 1
1 1158 . 10 1 1 A 119 119 ILE N N 7 123.548 135.345 -11.797 1
1 1160 . 10 1 1 A 119 119 ILE CA C 7 58.678 62.643 -3.965 1
1 1161 . 10 1 1 A 119 119 ILE HA H 7 4.044 4.628 -0.584 1
1 1162 . 10 1 1 A 119 119 ILE CB C 7 36.336 32.955 3.381 1
1 1175 . 10 1 1 A 119 119 ILE C C 7 176.188 177.088 -0.900 1
1 1176 . 10 1 1 A 120 120 VAL N N 8 125.619 118.801 6.818 1
1 1177 . 10 1 1 A 120 120 VAL H H 8 8.270 8.808 -0.538 1
1 1178 . 10 1 1 A 120 120 VAL CA C 8 60.094 52.989 7.105 1
1 1179 . 10 1 1 A 120 120 VAL HA H 8 4.147 4.951 -0.804 1
1 1180 . 10 1 1 A 120 120 VAL CB C 8 30.545 38.965 -8.420 1
1 1186 . 10 1 1 A 120 120 VAL C C 8 176.208 173.736 2.472 1
1 1187 . 10 1 1 A 121 121 THR N N 9 118.036 116.968 1.068 1
1 1188 . 10 1 1 A 121 121 THR H H 9 8.207 7.611 0.596 1
1 1189 . 10 1 1 A 121 121 THR CA C 9 59.152 58.191 0.961 1
1 1190 . 10 1 1 A 121 121 THR HA H 9 4.355 4.825 -0.470 1
1 1191 . 10 1 1 A 121 121 THR CB C 9 67.781 63.996 3.785 1
1 1196 . 10 1 1 A 121 121 THR C C 9 173.524 174.100 -0.576 1
1 1197 . 10 1 1 A 122 122 LEU N N 10 128.102 127.713 0.389 1
1 1198 . 10 1 1 A 122 122 LEU H H 10 7.877 8.751 -0.874 1
1 1199 . 10 1 1 A 122 122 LEU CA C 10 53.760 57.132 -3.372 1
1 1118 . 11 1 1 A 114 114 ASP N N 2 123.201 116.382 6.819 1
1 1119 . 11 1 1 A 114 114 ASP H H 2 8.265 8.356 -0.091 1
1 1120 . 11 1 1 A 114 114 ASP CA C 2 52.187 57.158 -4.971 1
1 1121 . 11 1 1 A 114 114 ASP HA H 2 4.580 4.658 -0.078 1
1 1122 . 11 1 1 A 114 114 ASP CB C 2 39.357 62.433 -23.076 1
1 1125 . 11 1 1 A 114 114 ASP C C 2 176.910 172.243 4.667 1
1 1126 . 11 1 1 A 115 115 SER N N 3 116.588 138.082 -21.494 1
1 1128 . 11 1 1 A 115 115 SER CA C 3 56.867 62.932 -6.065 1
1 1129 . 11 1 1 A 115 115 SER HA H 3 4.344 4.504 -0.160 1
1 1130 . 11 1 1 A 115 115 SER CB C 3 61.566 31.704 29.862 1
1 1133 . 11 1 1 A 115 115 SER C C 3 175.355 176.785 -1.430 1
1 1134 . 11 1 1 A 116 116 SER N N 4 117.864 122.788 -4.924 1
1 1135 . 11 1 1 A 116 116 SER H H 4 8.366 8.306 0.060 1
1 1136 . 11 1 1 A 116 116 SER CA C 4 57.218 58.012 -0.794 1
1 1137 . 11 1 1 A 116 116 SER HA H 4 4.345 4.673 -0.328 1
1 1138 . 11 1 1 A 116 116 SER CB C 4 61.526 39.334 22.192 1
1 1141 . 11 1 1 A 116 116 SER C C 4 175.309 176.340 -1.031 1
1 1142 . 11 1 1 A 117 117 GLY N N 5 110.356 126.984 -16.628 1
1 1143 . 11 1 1 A 117 117 GLY H H 5 8.280 9.111 -0.831 1
1 1144 . 11 1 1 A 117 117 GLY CA C 5 43.301 49.980 -6.679 1
1 1147 . 11 1 1 A 117 117 GLY C C 5 173.950 175.776 -1.826 1
1 1148 . 11 1 1 A 118 118 ARG N N 6 120.552 119.767 0.785 1
1 1149 . 11 1 1 A 118 118 ARG H H 6 7.896 8.524 -0.628 1
1 1150 . 11 1 1 A 118 118 ARG CA C 6 53.974 51.819 2.155 1
1 1151 . 11 1 1 A 118 118 ARG HA H 6 4.276 5.056 -0.780 1
1 1152 . 11 1 1 A 118 118 ARG CB C 6 28.501 40.504 -12.003 1
1 1157 . 11 1 1 A 118 118 ARG C C 6 176.000 174.170 1.830 1
1 1158 . 11 1 1 A 119 119 ILE N N 7 123.548 136.432 -12.884 1
1 1160 . 11 1 1 A 119 119 ILE CA C 7 58.678 62.688 -4.010 1
1 1161 . 11 1 1 A 119 119 ILE HA H 7 4.044 4.716 -0.672 1
1 1162 . 11 1 1 A 119 119 ILE CB C 7 36.336 31.857 4.479 1
1 1175 . 11 1 1 A 119 119 ILE C C 7 176.188 177.009 -0.821 1
1 1176 . 11 1 1 A 120 120 VAL N N 8 125.619 118.425 7.194 1
1 1177 . 11 1 1 A 120 120 VAL H H 8 8.270 8.441 -0.171 1
1 1178 . 11 1 1 A 120 120 VAL CA C 8 60.094 52.191 7.903 1
1 1179 . 11 1 1 A 120 120 VAL HA H 8 4.147 4.881 -0.734 1
1 1180 . 11 1 1 A 120 120 VAL CB C 8 30.545 39.682 -9.137 1
1 1186 . 11 1 1 A 120 120 VAL C C 8 176.208 174.535 1.673 1
1 1187 . 11 1 1 A 121 121 THR N N 9 118.036 115.013 3.023 1
1 1188 . 11 1 1 A 121 121 THR H H 9 8.207 8.682 -0.475 1
1 1189 . 11 1 1 A 121 121 THR CA C 9 59.152 57.919 1.233 1
1 1190 . 11 1 1 A 121 121 THR HA H 9 4.355 5.029 -0.674 1
1 1191 . 11 1 1 A 121 121 THR CB C 9 67.781 65.285 2.496 1
1 1196 . 11 1 1 A 121 121 THR C C 9 173.524 172.512 1.012 1
1 1197 . 11 1 1 A 122 122 LEU N N 10 128.102 129.950 -1.848 1
1 1198 . 11 1 1 A 122 122 LEU H H 10 7.877 9.120 -1.243 1
1 1199 . 11 1 1 A 122 122 LEU CA C 10 53.760 53.427 0.333 1
1 1118 . 12 1 1 A 114 114 ASP N N 2 123.201 120.660 2.541 1
1 1119 . 12 1 1 A 114 114 ASP H H 2 8.265 8.992 -0.727 1
1 1120 . 12 1 1 A 114 114 ASP CA C 2 52.187 56.083 -3.896 1
1 1121 . 12 1 1 A 114 114 ASP HA H 2 4.580 4.973 -0.393 1
1 1122 . 12 1 1 A 114 114 ASP CB C 2 39.357 63.361 -24.004 1
1 1125 . 12 1 1 A 114 114 ASP C C 2 176.910 172.208 4.702 1
1 1126 . 12 1 1 A 115 115 SER N N 3 116.588 138.875 -22.287 1
1 1128 . 12 1 1 A 115 115 SER CA C 3 56.867 62.850 -5.983 1
1 1129 . 12 1 1 A 115 115 SER HA H 3 4.344 4.504 -0.160 1
1 1130 . 12 1 1 A 115 115 SER CB C 3 61.566 32.295 29.271 1
1 1133 . 12 1 1 A 115 115 SER C C 3 175.355 177.095 -1.740 1
1 1134 . 12 1 1 A 116 116 SER N N 4 117.864 118.447 -0.583 1
1 1135 . 12 1 1 A 116 116 SER H H 4 8.366 8.443 -0.077 1
1 1136 . 12 1 1 A 116 116 SER CA C 4 57.218 56.926 0.292 1
1 1137 . 12 1 1 A 116 116 SER HA H 4 4.345 4.517 -0.172 1
1 1138 . 12 1 1 A 116 116 SER CB C 4 61.526 39.528 21.998 1
1 1141 . 12 1 1 A 116 116 SER C C 4 175.309 175.562 -0.253 1
1 1142 . 12 1 1 A 117 117 GLY N N 5 110.356 123.165 -12.809 1
1 1143 . 12 1 1 A 117 117 GLY H H 5 8.280 8.626 -0.346 1
1 1144 . 12 1 1 A 117 117 GLY CA C 5 43.301 50.619 -7.318 1
1 1147 . 12 1 1 A 117 117 GLY C C 5 173.950 175.833 -1.883 1
1 1148 . 12 1 1 A 118 118 ARG N N 6 120.552 122.590 -2.038 1
1 1149 . 12 1 1 A 118 118 ARG H H 6 7.896 8.809 -0.913 1
1 1150 . 12 1 1 A 118 118 ARG CA C 6 53.974 51.658 2.316 1
1 1151 . 12 1 1 A 118 118 ARG HA H 6 4.276 5.134 -0.858 1
1 1152 . 12 1 1 A 118 118 ARG CB C 6 28.501 41.237 -12.736 1
1 1157 . 12 1 1 A 118 118 ARG C C 6 176.000 174.112 1.888 1
1 1158 . 12 1 1 A 119 119 ILE N N 7 123.548 134.568 -11.020 1
1 1160 . 12 1 1 A 119 119 ILE CA C 7 58.678 62.739 -4.061 1
1 1161 . 12 1 1 A 119 119 ILE HA H 7 4.044 4.445 -0.401 1
1 1162 . 12 1 1 A 119 119 ILE CB C 7 36.336 32.658 3.678 1
1 1175 . 12 1 1 A 119 119 ILE C C 7 176.188 176.671 -0.483 1
1 1176 . 12 1 1 A 120 120 VAL N N 8 125.619 114.956 10.663 1
1 1177 . 12 1 1 A 120 120 VAL H H 8 8.270 8.868 -0.598 1
1 1178 . 12 1 1 A 120 120 VAL CA C 8 60.094 53.991 6.103 1
1 1179 . 12 1 1 A 120 120 VAL HA H 8 4.147 4.291 -0.144 1
1 1180 . 12 1 1 A 120 120 VAL CB C 8 30.545 36.767 -6.222 1
1 1186 . 12 1 1 A 120 120 VAL C C 8 176.208 175.960 0.248 1
1 1187 . 12 1 1 A 121 121 THR N N 9 118.036 111.223 6.813 1
1 1188 . 12 1 1 A 121 121 THR H H 9 8.207 8.232 -0.025 1
1 1189 . 12 1 1 A 121 121 THR CA C 9 59.152 60.697 -1.545 1
1 1190 . 12 1 1 A 121 121 THR HA H 9 4.355 4.371 -0.016 1
1 1191 . 12 1 1 A 121 121 THR CB C 9 67.781 63.130 4.651 1
1 1196 . 12 1 1 A 121 121 THR C C 9 173.524 174.547 -1.023 1
1 1197 . 12 1 1 A 122 122 LEU N N 10 128.102 121.880 6.222 1
1 1198 . 12 1 1 A 122 122 LEU H H 10 7.877 7.467 0.410 1
1 1199 . 12 1 1 A 122 122 LEU CA C 10 53.760 55.950 -2.190 1
1 1118 . 13 1 1 A 114 114 ASP N N 2 123.201 114.707 8.494 1
1 1119 . 13 1 1 A 114 114 ASP H H 2 8.265 7.918 0.347 1
1 1120 . 13 1 1 A 114 114 ASP CA C 2 52.187 56.373 -4.186 1
1 1121 . 13 1 1 A 114 114 ASP HA H 2 4.580 4.760 -0.180 1
1 1122 . 13 1 1 A 114 114 ASP CB C 2 39.357 63.101 -23.744 1
1 1125 . 13 1 1 A 114 114 ASP C C 2 176.910 171.798 5.112 1
1 1126 . 13 1 1 A 115 115 SER N N 3 116.588 139.140 -22.552 1
1 1128 . 13 1 1 A 115 115 SER CA C 3 56.867 62.612 -5.745 1
1 1129 . 13 1 1 A 115 115 SER HA H 3 4.344 4.769 -0.425 1
1 1130 . 13 1 1 A 115 115 SER CB C 3 61.566 32.887 28.679 1
1 1133 . 13 1 1 A 115 115 SER C C 3 175.355 176.687 -1.332 1
1 1134 . 13 1 1 A 116 116 SER N N 4 117.864 117.991 -0.127 1
1 1135 . 13 1 1 A 116 116 SER H H 4 8.366 8.603 -0.237 1
1 1136 . 13 1 1 A 116 116 SER CA C 4 57.218 55.142 2.076 1
1 1137 . 13 1 1 A 116 116 SER HA H 4 4.345 5.430 -1.085 1
1 1138 . 13 1 1 A 116 116 SER CB C 4 61.526 42.117 19.409 1
1 1141 . 13 1 1 A 116 116 SER C C 4 175.309 173.237 2.072 1
1 1142 . 13 1 1 A 117 117 GLY N N 5 110.356 121.865 -11.509 1
1 1143 . 13 1 1 A 117 117 GLY H H 5 8.280 8.960 -0.680 1
1 1144 . 13 1 1 A 117 117 GLY CA C 5 43.301 49.913 -6.612 1
1 1147 . 13 1 1 A 117 117 GLY C C 5 173.950 176.206 -2.256 1
1 1148 . 13 1 1 A 118 118 ARG N N 6 120.552 119.252 1.300 1
1 1149 . 13 1 1 A 118 118 ARG H H 6 7.896 8.545 -0.649 1
1 1150 . 13 1 1 A 118 118 ARG CA C 6 53.974 52.865 1.109 1
1 1151 . 13 1 1 A 118 118 ARG HA H 6 4.276 4.987 -0.711 1
1 1152 . 13 1 1 A 118 118 ARG CB C 6 28.501 39.786 -11.285 1
1 1157 . 13 1 1 A 118 118 ARG C C 6 176.000 174.239 1.761 1
1 1158 . 13 1 1 A 119 119 ILE N N 7 123.548 135.722 -12.174 1
1 1160 . 13 1 1 A 119 119 ILE CA C 7 58.678 62.642 -3.964 1
1 1161 . 13 1 1 A 119 119 ILE HA H 7 4.044 4.659 -0.615 1
1 1162 . 13 1 1 A 119 119 ILE CB C 7 36.336 32.991 3.345 1
1 1175 . 13 1 1 A 119 119 ILE C C 7 176.188 175.307 0.881 1
1 1176 . 13 1 1 A 120 120 VAL N N 8 125.619 119.439 6.180 1
1 1177 . 13 1 1 A 120 120 VAL H H 8 8.270 8.813 -0.543 1
1 1178 . 13 1 1 A 120 120 VAL CA C 8 60.094 52.265 7.829 1
1 1179 . 13 1 1 A 120 120 VAL HA H 8 4.147 5.137 -0.990 1
1 1180 . 13 1 1 A 120 120 VAL CB C 8 30.545 42.794 -12.249 1
1 1186 . 13 1 1 A 120 120 VAL C C 8 176.208 172.948 3.260 1
1 1187 . 13 1 1 A 121 121 THR N N 9 118.036 118.079 -0.043 1
1 1188 . 13 1 1 A 121 121 THR H H 9 8.207 8.582 -0.375 1
1 1189 . 13 1 1 A 121 121 THR CA C 9 59.152 57.135 2.017 1
1 1190 . 13 1 1 A 121 121 THR HA H 9 4.355 4.733 -0.378 1
1 1191 . 13 1 1 A 121 121 THR CB C 9 67.781 63.177 4.604 1
1 1196 . 13 1 1 A 121 121 THR C C 9 173.524 173.513 0.011 1
1 1197 . 13 1 1 A 122 122 LEU N N 10 128.102 123.875 4.227 1
1 1198 . 13 1 1 A 122 122 LEU H H 10 7.877 8.156 -0.279 1
1 1199 . 13 1 1 A 122 122 LEU CA C 10 53.760 53.495 0.265 1
1 1118 . 14 1 1 A 114 114 ASP N N 2 123.201 114.304 8.897 1
1 1119 . 14 1 1 A 114 114 ASP H H 2 8.265 8.612 -0.347 1
1 1120 . 14 1 1 A 114 114 ASP CA C 2 52.187 55.380 -3.193 1
1 1121 . 14 1 1 A 114 114 ASP HA H 2 4.580 5.409 -0.829 1
1 1122 . 14 1 1 A 114 114 ASP CB C 2 39.357 65.282 -25.925 1
1 1125 . 14 1 1 A 114 114 ASP C C 2 176.910 171.406 5.504 1
1 1126 . 14 1 1 A 115 115 SER N N 3 116.588 136.085 -19.497 1
1 1128 . 14 1 1 A 115 115 SER CA C 3 56.867 63.078 -6.211 1
1 1129 . 14 1 1 A 115 115 SER HA H 3 4.344 4.844 -0.500 1
1 1130 . 14 1 1 A 115 115 SER CB C 3 61.566 31.858 29.708 1
1 1133 . 14 1 1 A 115 115 SER C C 3 175.355 177.074 -1.719 1
1 1134 . 14 1 1 A 116 116 SER N N 4 117.864 123.045 -5.181 1
1 1135 . 14 1 1 A 116 116 SER H H 4 8.366 8.746 -0.380 1
1 1136 . 14 1 1 A 116 116 SER CA C 4 57.218 57.833 -0.615 1
1 1137 . 14 1 1 A 116 116 SER HA H 4 4.345 4.924 -0.579 1
1 1138 . 14 1 1 A 116 116 SER CB C 4 61.526 40.276 21.250 1
1 1141 . 14 1 1 A 116 116 SER C C 4 175.309 176.077 -0.768 1
1 1142 . 14 1 1 A 117 117 GLY N N 5 110.356 121.951 -11.595 1
1 1143 . 14 1 1 A 117 117 GLY H H 5 8.280 8.754 -0.474 1
1 1144 . 14 1 1 A 117 117 GLY CA C 5 43.301 51.046 -7.745 1
1 1147 . 14 1 1 A 117 117 GLY C C 5 173.950 175.496 -1.546 1
1 1148 . 14 1 1 A 118 118 ARG N N 6 120.552 117.773 2.779 1
1 1149 . 14 1 1 A 118 118 ARG H H 6 7.896 8.741 -0.845 1
1 1150 . 14 1 1 A 118 118 ARG CA C 6 53.974 51.391 2.583 1
1 1151 . 14 1 1 A 118 118 ARG HA H 6 4.276 5.306 -1.030 1
1 1152 . 14 1 1 A 118 118 ARG CB C 6 28.501 42.642 -14.141 1
1 1157 . 14 1 1 A 118 118 ARG C C 6 176.000 173.897 2.103 1
1 1158 . 14 1 1 A 119 119 ILE N N 7 123.548 134.811 -11.263 1
1 1160 . 14 1 1 A 119 119 ILE CA C 7 58.678 62.579 -3.901 1
1 1161 . 14 1 1 A 119 119 ILE HA H 7 4.044 4.448 -0.404 1
1 1162 . 14 1 1 A 119 119 ILE CB C 7 36.336 32.076 4.260 1
1 1175 . 14 1 1 A 119 119 ILE C C 7 176.188 176.410 -0.222 1
1 1176 . 14 1 1 A 120 120 VAL N N 8 125.619 121.122 4.497 1
1 1177 . 14 1 1 A 120 120 VAL H H 8 8.270 8.552 -0.282 1
1 1178 . 14 1 1 A 120 120 VAL CA C 8 60.094 53.175 6.919 1
1 1179 . 14 1 1 A 120 120 VAL HA H 8 4.147 4.953 -0.806 1
1 1180 . 14 1 1 A 120 120 VAL CB C 8 30.545 39.460 -8.915 1
1 1186 . 14 1 1 A 120 120 VAL C C 8 176.208 174.083 2.125 1
1 1187 . 14 1 1 A 121 121 THR N N 9 118.036 120.198 -2.162 1
1 1188 . 14 1 1 A 121 121 THR H H 9 8.207 8.785 -0.578 1
1 1189 . 14 1 1 A 121 121 THR CA C 9 59.152 56.547 2.605 1
1 1190 . 14 1 1 A 121 121 THR HA H 9 4.355 5.063 -0.708 1
1 1191 . 14 1 1 A 121 121 THR CB C 9 67.781 65.836 1.945 1
1 1196 . 14 1 1 A 121 121 THR C C 9 173.524 171.891 1.633 1
1 1197 . 14 1 1 A 122 122 LEU N N 10 128.102 123.423 4.679 1
1 1198 . 14 1 1 A 122 122 LEU H H 10 7.877 8.725 -0.848 1
1 1199 . 14 1 1 A 122 122 LEU CA C 10 53.760 53.548 0.212 1
1 1118 . 15 1 1 A 114 114 ASP N N 2 123.201 116.596 6.605 1
1 1119 . 15 1 1 A 114 114 ASP H H 2 8.265 8.537 -0.272 1
1 1120 . 15 1 1 A 114 114 ASP CA C 2 52.187 55.358 -3.171 1
1 1121 . 15 1 1 A 114 114 ASP HA H 2 4.580 4.917 -0.337 1
1 1122 . 15 1 1 A 114 114 ASP CB C 2 39.357 63.075 -23.718 1
1 1125 . 15 1 1 A 114 114 ASP C C 2 176.910 173.159 3.751 1
1 1126 . 15 1 1 A 115 115 SER N N 3 116.588 137.329 -20.741 1
1 1128 . 15 1 1 A 115 115 SER CA C 3 56.867 62.474 -5.607 1
1 1129 . 15 1 1 A 115 115 SER HA H 3 4.344 4.807 -0.463 1
1 1130 . 15 1 1 A 115 115 SER CB C 3 61.566 33.184 28.382 1
1 1133 . 15 1 1 A 115 115 SER C C 3 175.355 176.169 -0.814 1
1 1134 . 15 1 1 A 116 116 SER N N 4 117.864 116.707 1.157 1
1 1135 . 15 1 1 A 116 116 SER H H 4 8.366 8.701 -0.335 1
1 1136 . 15 1 1 A 116 116 SER CA C 4 57.218 55.592 1.626 1
1 1137 . 15 1 1 A 116 116 SER HA H 4 4.345 5.227 -0.882 1
1 1138 . 15 1 1 A 116 116 SER CB C 4 61.526 42.619 18.907 1
1 1141 . 15 1 1 A 116 116 SER C C 4 175.309 172.622 2.687 1
1 1142 . 15 1 1 A 117 117 GLY N N 5 110.356 122.014 -11.658 1
1 1143 . 15 1 1 A 117 117 GLY H H 5 8.280 8.817 -0.537 1
1 1144 . 15 1 1 A 117 117 GLY CA C 5 43.301 50.343 -7.042 1
1 1147 . 15 1 1 A 117 117 GLY C C 5 173.950 175.657 -1.707 1
1 1148 . 15 1 1 A 118 118 ARG N N 6 120.552 117.338 3.214 1
1 1149 . 15 1 1 A 118 118 ARG H H 6 7.896 8.725 -0.829 1
1 1150 . 15 1 1 A 118 118 ARG CA C 6 53.974 51.490 2.484 1
1 1151 . 15 1 1 A 118 118 ARG HA H 6 4.276 5.258 -0.982 1
1 1152 . 15 1 1 A 118 118 ARG CB C 6 28.501 42.398 -13.897 1
1 1157 . 15 1 1 A 118 118 ARG C C 6 176.000 174.047 1.953 1
1 1158 . 15 1 1 A 119 119 ILE N N 7 123.548 135.675 -12.127 1
1 1160 . 15 1 1 A 119 119 ILE CA C 7 58.678 62.286 -3.608 1
1 1161 . 15 1 1 A 119 119 ILE HA H 7 4.044 4.757 -0.713 1
1 1162 . 15 1 1 A 119 119 ILE CB C 7 36.336 29.551 6.785 1
1 1175 . 15 1 1 A 119 119 ILE C C 7 176.188 174.985 1.203 1
1 1176 . 15 1 1 A 120 120 VAL N N 8 125.619 122.384 3.235 1
1 1177 . 15 1 1 A 120 120 VAL H H 8 8.270 8.250 0.020 1
1 1178 . 15 1 1 A 120 120 VAL CA C 8 60.094 52.050 8.044 1
1 1179 . 15 1 1 A 120 120 VAL HA H 8 4.147 5.176 -1.029 1
1 1180 . 15 1 1 A 120 120 VAL CB C 8 30.545 41.672 -11.127 1
1 1186 . 15 1 1 A 120 120 VAL C C 8 176.208 173.822 2.386 1
1 1187 . 15 1 1 A 121 121 THR N N 9 118.036 123.940 -5.904 1
1 1188 . 15 1 1 A 121 121 THR H H 9 8.207 9.009 -0.802 1
1 1189 . 15 1 1 A 121 121 THR CA C 9 59.152 57.908 1.244 1
1 1190 . 15 1 1 A 121 121 THR HA H 9 4.355 5.112 -0.757 1
1 1191 . 15 1 1 A 121 121 THR CB C 9 67.781 64.186 3.595 1
1 1196 . 15 1 1 A 121 121 THR C C 9 173.524 173.512 0.012 1
1 1197 . 15 1 1 A 122 122 LEU N N 10 128.102 127.359 0.743 1
1 1198 . 15 1 1 A 122 122 LEU H H 10 7.877 8.949 -1.072 1
1 1199 . 15 1 1 A 122 122 LEU CA C 10 53.760 53.728 0.032 1
1 1118 . 16 1 1 A 114 114 ASP N N 2 123.201 120.743 2.458 1
1 1119 . 16 1 1 A 114 114 ASP H H 2 8.265 8.775 -0.510 1
1 1120 . 16 1 1 A 114 114 ASP CA C 2 52.187 55.905 -3.718 1
1 1121 . 16 1 1 A 114 114 ASP HA H 2 4.580 4.795 -0.215 1
1 1122 . 16 1 1 A 114 114 ASP CB C 2 39.357 63.236 -23.879 1
1 1125 . 16 1 1 A 114 114 ASP C C 2 176.910 171.699 5.211 1
1 1126 . 16 1 1 A 115 115 SER N N 3 116.588 138.253 -21.665 1
1 1128 . 16 1 1 A 115 115 SER CA C 3 56.867 62.349 -5.482 1
1 1129 . 16 1 1 A 115 115 SER HA H 3 4.344 4.655 -0.311 1
1 1130 . 16 1 1 A 115 115 SER CB C 3 61.566 32.609 28.957 1
1 1133 . 16 1 1 A 115 115 SER C C 3 175.355 175.422 -0.067 1
1 1134 . 16 1 1 A 116 116 SER N N 4 117.864 121.818 -3.954 1
1 1135 . 16 1 1 A 116 116 SER H H 4 8.366 8.690 -0.324 1
1 1136 . 16 1 1 A 116 116 SER CA C 4 57.218 56.640 0.578 1
1 1137 . 16 1 1 A 116 116 SER HA H 4 4.345 5.325 -0.980 1
1 1138 . 16 1 1 A 116 116 SER CB C 4 61.526 42.925 18.601 1
1 1141 . 16 1 1 A 116 116 SER C C 4 175.309 175.049 0.260 1
1 1142 . 16 1 1 A 117 117 GLY N N 5 110.356 121.367 -11.011 1
1 1143 . 16 1 1 A 117 117 GLY H H 5 8.280 8.661 -0.381 1
1 1144 . 16 1 1 A 117 117 GLY CA C 5 43.301 51.929 -8.628 1
1 1147 . 16 1 1 A 117 117 GLY C C 5 173.950 175.553 -1.603 1
1 1148 . 16 1 1 A 118 118 ARG N N 6 120.552 123.449 -2.897 1
1 1149 . 16 1 1 A 118 118 ARG H H 6 7.896 8.834 -0.938 1
1 1150 . 16 1 1 A 118 118 ARG CA C 6 53.974 51.167 2.807 1
1 1151 . 16 1 1 A 118 118 ARG HA H 6 4.276 5.103 -0.827 1
1 1152 . 16 1 1 A 118 118 ARG CB C 6 28.501 41.538 -13.037 1
1 1157 . 16 1 1 A 118 118 ARG C C 6 176.000 173.886 2.114 1
1 1158 . 16 1 1 A 119 119 ILE N N 7 123.548 136.421 -12.873 1
1 1160 . 16 1 1 A 119 119 ILE CA C 7 58.678 62.738 -4.060 1
1 1161 . 16 1 1 A 119 119 ILE HA H 7 4.044 4.650 -0.606 1
1 1162 . 16 1 1 A 119 119 ILE CB C 7 36.336 32.191 4.145 1
1 1175 . 16 1 1 A 119 119 ILE C C 7 176.188 176.226 -0.038 1
1 1176 . 16 1 1 A 120 120 VAL N N 8 125.619 116.860 8.759 1
1 1177 . 16 1 1 A 120 120 VAL H H 8 8.270 8.437 -0.167 1
1 1178 . 16 1 1 A 120 120 VAL CA C 8 60.094 51.515 8.579 1
1 1179 . 16 1 1 A 120 120 VAL HA H 8 4.147 5.571 -1.424 1
1 1180 . 16 1 1 A 120 120 VAL CB C 8 30.545 41.865 -11.320 1
1 1186 . 16 1 1 A 120 120 VAL C C 8 176.208 173.799 2.409 1
1 1187 . 16 1 1 A 121 121 THR N N 9 118.036 114.557 3.479 1
1 1188 . 16 1 1 A 121 121 THR H H 9 8.207 8.786 -0.579 1
1 1189 . 16 1 1 A 121 121 THR CA C 9 59.152 57.506 1.646 1
1 1190 . 16 1 1 A 121 121 THR HA H 9 4.355 5.017 -0.662 1
1 1191 . 16 1 1 A 121 121 THR CB C 9 67.781 66.512 1.269 1
1 1196 . 16 1 1 A 121 121 THR C C 9 173.524 172.565 0.959 1
1 1197 . 16 1 1 A 122 122 LEU N N 10 128.102 120.982 7.120 1
1 1198 . 16 1 1 A 122 122 LEU H H 10 7.877 8.472 -0.595 1
1 1199 . 16 1 1 A 122 122 LEU CA C 10 53.760 53.896 -0.136 1
1 1118 . 17 1 1 A 114 114 ASP N N 2 123.201 119.855 3.346 1
1 1119 . 17 1 1 A 114 114 ASP H H 2 8.265 8.173 0.092 1
1 1120 . 17 1 1 A 114 114 ASP CA C 2 52.187 59.401 -7.214 1
1 1121 . 17 1 1 A 114 114 ASP HA H 2 4.580 4.704 -0.124 1
1 1122 . 17 1 1 A 114 114 ASP CB C 2 39.357 65.472 -26.115 1
1 1125 . 17 1 1 A 114 114 ASP C C 2 176.910 173.857 3.053 1
1 1126 . 17 1 1 A 115 115 SER N N 3 116.588 133.844 -17.256 1
1 1128 . 17 1 1 A 115 115 SER CA C 3 56.867 63.084 -6.217 1
1 1129 . 17 1 1 A 115 115 SER HA H 3 4.344 4.663 -0.319 1
1 1130 . 17 1 1 A 115 115 SER CB C 3 61.566 31.645 29.921 1
1 1133 . 17 1 1 A 115 115 SER C C 3 175.355 177.229 -1.874 1
1 1134 . 17 1 1 A 116 116 SER N N 4 117.864 124.087 -6.223 1
1 1135 . 17 1 1 A 116 116 SER H H 4 8.366 8.798 -0.432 1
1 1136 . 17 1 1 A 116 116 SER CA C 4 57.218 61.085 -3.867 1
1 1137 . 17 1 1 A 116 116 SER HA H 4 4.345 4.396 -0.051 1
1 1138 . 17 1 1 A 116 116 SER CB C 4 61.526 40.295 21.231 1
1 1141 . 17 1 1 A 116 116 SER C C 4 175.309 175.167 0.142 1
1 1142 . 17 1 1 A 117 117 GLY N N 5 110.356 118.611 -8.255 1
1 1143 . 17 1 1 A 117 117 GLY H H 5 8.280 7.935 0.345 1
1 1144 . 17 1 1 A 117 117 GLY CA C 5 43.301 50.615 -7.314 1
1 1147 . 17 1 1 A 117 117 GLY C C 5 173.950 175.819 -1.869 1
1 1148 . 17 1 1 A 118 118 ARG N N 6 120.552 116.664 3.888 1
1 1149 . 17 1 1 A 118 118 ARG H H 6 7.896 8.713 -0.817 1
1 1150 . 17 1 1 A 118 118 ARG CA C 6 53.974 51.354 2.620 1
1 1151 . 17 1 1 A 118 118 ARG HA H 6 4.276 5.264 -0.988 1
1 1152 . 17 1 1 A 118 118 ARG CB C 6 28.501 42.581 -14.080 1
1 1157 . 17 1 1 A 118 118 ARG C C 6 176.000 173.923 2.077 1
1 1158 . 17 1 1 A 119 119 ILE N N 7 123.548 135.205 -11.657 1
1 1160 . 17 1 1 A 119 119 ILE CA C 7 58.678 62.690 -4.012 1
1 1161 . 17 1 1 A 119 119 ILE HA H 7 4.044 4.737 -0.693 1
1 1162 . 17 1 1 A 119 119 ILE CB C 7 36.336 32.047 4.289 1
1 1175 . 17 1 1 A 119 119 ILE C C 7 176.188 175.296 0.892 1
1 1176 . 17 1 1 A 120 120 VAL N N 8 125.619 120.774 4.845 1
1 1177 . 17 1 1 A 120 120 VAL H H 8 8.270 8.801 -0.531 1
1 1178 . 17 1 1 A 120 120 VAL CA C 8 60.094 52.230 7.864 1
1 1179 . 17 1 1 A 120 120 VAL HA H 8 4.147 5.202 -1.055 1
1 1180 . 17 1 1 A 120 120 VAL CB C 8 30.545 41.471 -10.926 1
1 1186 . 17 1 1 A 120 120 VAL C C 8 176.208 173.487 2.721 1
1 1187 . 17 1 1 A 121 121 THR N N 9 118.036 120.350 -2.314 1
1 1188 . 17 1 1 A 121 121 THR H H 9 8.207 8.955 -0.748 1
1 1189 . 17 1 1 A 121 121 THR CA C 9 59.152 56.747 2.405 1
1 1190 . 17 1 1 A 121 121 THR HA H 9 4.355 5.409 -1.054 1
1 1191 . 17 1 1 A 121 121 THR CB C 9 67.781 64.948 2.833 1
1 1196 . 17 1 1 A 121 121 THR C C 9 173.524 173.052 0.472 1
1 1197 . 17 1 1 A 122 122 LEU N N 10 128.102 125.510 2.592 1
1 1198 . 17 1 1 A 122 122 LEU H H 10 7.877 8.743 -0.866 1
1 1199 . 17 1 1 A 122 122 LEU CA C 10 53.760 54.327 -0.567 1
1 1118 . 18 1 1 A 114 114 ASP N N 2 123.201 120.849 2.352 1
1 1119 . 18 1 1 A 114 114 ASP H H 2 8.265 8.912 -0.647 1
1 1120 . 18 1 1 A 114 114 ASP CA C 2 52.187 55.686 -3.499 1
1 1121 . 18 1 1 A 114 114 ASP HA H 2 4.580 4.970 -0.390 1
1 1122 . 18 1 1 A 114 114 ASP CB C 2 39.357 63.412 -24.055 1
1 1125 . 18 1 1 A 114 114 ASP C C 2 176.910 171.167 5.743 1
1 1126 . 18 1 1 A 115 115 SER N N 3 116.588 137.993 -21.405 1
1 1128 . 18 1 1 A 115 115 SER CA C 3 56.867 62.228 -5.361 1
1 1129 . 18 1 1 A 115 115 SER HA H 3 4.344 4.602 -0.258 1
1 1130 . 18 1 1 A 115 115 SER CB C 3 61.566 32.978 28.588 1
1 1133 . 18 1 1 A 115 115 SER C C 3 175.355 174.986 0.369 1
1 1134 . 18 1 1 A 116 116 SER N N 4 117.864 119.252 -1.388 1
1 1135 . 18 1 1 A 116 116 SER H H 4 8.366 8.534 -0.168 1
1 1136 . 18 1 1 A 116 116 SER CA C 4 57.218 56.635 0.583 1
1 1137 . 18 1 1 A 116 116 SER HA H 4 4.345 5.265 -0.920 1
1 1138 . 18 1 1 A 116 116 SER CB C 4 61.526 43.070 18.456 1
1 1141 . 18 1 1 A 116 116 SER C C 4 175.309 174.748 0.561 1
1 1142 . 18 1 1 A 117 117 GLY N N 5 110.356 122.044 -11.688 1
1 1143 . 18 1 1 A 117 117 GLY H H 5 8.280 8.975 -0.695 1
1 1144 . 18 1 1 A 117 117 GLY CA C 5 43.301 50.556 -7.255 1
1 1147 . 18 1 1 A 117 117 GLY C C 5 173.950 174.845 -0.895 1
1 1148 . 18 1 1 A 118 118 ARG N N 6 120.552 119.014 1.538 1
1 1149 . 18 1 1 A 118 118 ARG H H 6 7.896 8.850 -0.954 1
1 1150 . 18 1 1 A 118 118 ARG CA C 6 53.974 51.697 2.277 1
1 1151 . 18 1 1 A 118 118 ARG HA H 6 4.276 5.361 -1.085 1
1 1152 . 18 1 1 A 118 118 ARG CB C 6 28.501 42.027 -13.526 1
1 1157 . 18 1 1 A 118 118 ARG C C 6 176.000 174.766 1.234 1
1 1158 . 18 1 1 A 119 119 ILE N N 7 123.548 138.243 -14.695 1
1 1160 . 18 1 1 A 119 119 ILE CA C 7 58.678 62.591 -3.913 1
1 1161 . 18 1 1 A 119 119 ILE HA H 7 4.044 4.640 -0.596 1
1 1162 . 18 1 1 A 119 119 ILE CB C 7 36.336 31.667 4.669 1
1 1175 . 18 1 1 A 119 119 ILE C C 7 176.188 176.653 -0.465 1
1 1176 . 18 1 1 A 120 120 VAL N N 8 125.619 121.460 4.159 1
1 1177 . 18 1 1 A 120 120 VAL H H 8 8.270 8.674 -0.404 1
1 1178 . 18 1 1 A 120 120 VAL CA C 8 60.094 53.059 7.035 1
1 1179 . 18 1 1 A 120 120 VAL HA H 8 4.147 4.853 -0.706 1
1 1180 . 18 1 1 A 120 120 VAL CB C 8 30.545 39.424 -8.879 1
1 1186 . 18 1 1 A 120 120 VAL C C 8 176.208 175.227 0.981 1
1 1187 . 18 1 1 A 121 121 THR N N 9 118.036 115.687 2.349 1
1 1188 . 18 1 1 A 121 121 THR H H 9 8.207 8.725 -0.518 1
1 1189 . 18 1 1 A 121 121 THR CA C 9 59.152 56.141 3.011 1
1 1190 . 18 1 1 A 121 121 THR HA H 9 4.355 5.368 -1.013 1
1 1191 . 18 1 1 A 121 121 THR CB C 9 67.781 66.100 1.681 1
1 1196 . 18 1 1 A 121 121 THR C C 9 173.524 173.625 -0.101 1
1 1197 . 18 1 1 A 122 122 LEU N N 10 128.102 122.789 5.313 1
1 1198 . 18 1 1 A 122 122 LEU H H 10 7.877 8.991 -1.114 1
1 1199 . 18 1 1 A 122 122 LEU CA C 10 53.760 53.709 0.051 1
1 1118 . 19 1 1 A 114 114 ASP N N 2 123.201 117.709 5.492 1
1 1119 . 19 1 1 A 114 114 ASP H H 2 8.265 8.747 -0.482 1
1 1120 . 19 1 1 A 114 114 ASP CA C 2 52.187 55.424 -3.237 1
1 1121 . 19 1 1 A 114 114 ASP HA H 2 4.580 4.943 -0.363 1
1 1122 . 19 1 1 A 114 114 ASP CB C 2 39.357 63.026 -23.669 1
1 1125 . 19 1 1 A 114 114 ASP C C 2 176.910 173.160 3.750 1
1 1126 . 19 1 1 A 115 115 SER N N 3 116.588 136.875 -20.287 1
1 1128 . 19 1 1 A 115 115 SER CA C 3 56.867 62.424 -5.557 1
1 1129 . 19 1 1 A 115 115 SER HA H 3 4.344 4.765 -0.421 1
1 1130 . 19 1 1 A 115 115 SER CB C 3 61.566 33.025 28.541 1
1 1133 . 19 1 1 A 115 115 SER C C 3 175.355 176.038 -0.683 1
1 1134 . 19 1 1 A 116 116 SER N N 4 117.864 116.488 1.376 1
1 1135 . 19 1 1 A 116 116 SER H H 4 8.366 8.483 -0.117 1
1 1136 . 19 1 1 A 116 116 SER CA C 4 57.218 55.671 1.547 1
1 1137 . 19 1 1 A 116 116 SER HA H 4 4.345 5.265 -0.920 1
1 1138 . 19 1 1 A 116 116 SER CB C 4 61.526 41.894 19.632 1
1 1141 . 19 1 1 A 116 116 SER C C 4 175.309 172.825 2.484 1
1 1142 . 19 1 1 A 117 117 GLY N N 5 110.356 121.007 -10.651 1
1 1143 . 19 1 1 A 117 117 GLY H H 5 8.280 8.784 -0.504 1
1 1144 . 19 1 1 A 117 117 GLY CA C 5 43.301 51.681 -8.380 1
1 1147 . 19 1 1 A 117 117 GLY C C 5 173.950 175.498 -1.548 1
1 1148 . 19 1 1 A 118 118 ARG N N 6 120.552 122.175 -1.623 1
1 1149 . 19 1 1 A 118 118 ARG H H 6 7.896 8.896 -1.000 1
1 1150 . 19 1 1 A 118 118 ARG CA C 6 53.974 50.889 3.085 1
1 1151 . 19 1 1 A 118 118 ARG HA H 6 4.276 5.333 -1.057 1
1 1152 . 19 1 1 A 118 118 ARG CB C 6 28.501 41.584 -13.083 1
1 1157 . 19 1 1 A 118 118 ARG C C 6 176.000 174.360 1.640 1
1 1158 . 19 1 1 A 119 119 ILE N N 7 123.548 141.356 -17.808 1
1 1160 . 19 1 1 A 119 119 ILE CA C 7 58.678 62.421 -3.743 1
1 1161 . 19 1 1 A 119 119 ILE HA H 7 4.044 4.747 -0.703 1
1 1162 . 19 1 1 A 119 119 ILE CB C 7 36.336 30.551 5.785 1
1 1175 . 19 1 1 A 119 119 ILE C C 7 176.188 175.702 0.486 1
1 1176 . 19 1 1 A 120 120 VAL N N 8 125.619 122.058 3.561 1
1 1177 . 19 1 1 A 120 120 VAL H H 8 8.270 8.394 -0.124 1
1 1178 . 19 1 1 A 120 120 VAL CA C 8 60.094 52.329 7.765 1
1 1179 . 19 1 1 A 120 120 VAL HA H 8 4.147 5.238 -1.091 1
1 1180 . 19 1 1 A 120 120 VAL CB C 8 30.545 40.923 -10.378 1
1 1186 . 19 1 1 A 120 120 VAL C C 8 176.208 174.027 2.181 1
1 1187 . 19 1 1 A 121 121 THR N N 9 118.036 117.808 0.228 1
1 1188 . 19 1 1 A 121 121 THR H H 9 8.207 8.935 -0.728 1
1 1189 . 19 1 1 A 121 121 THR CA C 9 59.152 57.526 1.626 1
1 1190 . 19 1 1 A 121 121 THR HA H 9 4.355 5.137 -0.782 1
1 1191 . 19 1 1 A 121 121 THR CB C 9 67.781 66.200 1.581 1
1 1196 . 19 1 1 A 121 121 THR C C 9 173.524 172.336 1.188 1
1 1197 . 19 1 1 A 122 122 LEU N N 10 128.102 124.213 3.889 1
1 1198 . 19 1 1 A 122 122 LEU H H 10 7.877 8.496 -0.619 1
1 1199 . 19 1 1 A 122 122 LEU CA C 10 53.760 53.573 0.187 1
1 1118 . 20 1 1 A 114 114 ASP N N 2 123.201 122.766 0.435 1
1 1119 . 20 1 1 A 114 114 ASP H H 2 8.265 8.961 -0.696 1
1 1120 . 20 1 1 A 114 114 ASP CA C 2 52.187 55.905 -3.718 1
1 1121 . 20 1 1 A 114 114 ASP HA H 2 4.580 4.863 -0.283 1
1 1122 . 20 1 1 A 114 114 ASP CB C 2 39.357 64.242 -24.885 1
1 1125 . 20 1 1 A 114 114 ASP C C 2 176.910 171.925 4.985 1
1 1126 . 20 1 1 A 115 115 SER N N 3 116.588 137.300 -20.712 1
1 1128 . 20 1 1 A 115 115 SER CA C 3 56.867 62.438 -5.571 1
1 1129 . 20 1 1 A 115 115 SER HA H 3 4.344 4.784 -0.440 1
1 1130 . 20 1 1 A 115 115 SER CB C 3 61.566 32.945 28.621 1
1 1133 . 20 1 1 A 115 115 SER C C 3 175.355 175.490 -0.135 1
1 1134 . 20 1 1 A 116 116 SER N N 4 117.864 122.050 -4.186 1
1 1135 . 20 1 1 A 116 116 SER H H 4 8.366 8.677 -0.311 1
1 1136 . 20 1 1 A 116 116 SER CA C 4 57.218 56.334 0.884 1
1 1137 . 20 1 1 A 116 116 SER HA H 4 4.345 5.293 -0.948 1
1 1138 . 20 1 1 A 116 116 SER CB C 4 61.526 44.391 17.135 1
1 1141 . 20 1 1 A 116 116 SER C C 4 175.309 174.226 1.083 1
1 1142 . 20 1 1 A 117 117 GLY N N 5 110.356 122.453 -12.097 1
1 1143 . 20 1 1 A 117 117 GLY H H 5 8.280 9.094 -0.814 1
1 1144 . 20 1 1 A 117 117 GLY CA C 5 43.301 50.321 -7.020 1
1 1147 . 20 1 1 A 117 117 GLY C C 5 173.950 175.884 -1.934 1
1 1148 . 20 1 1 A 118 118 ARG N N 6 120.552 121.514 -0.962 1
1 1149 . 20 1 1 A 118 118 ARG H H 6 7.896 9.000 -1.104 1
1 1150 . 20 1 1 A 118 118 ARG CA C 6 53.974 51.431 2.543 1
1 1151 . 20 1 1 A 118 118 ARG HA H 6 4.276 5.208 -0.932 1
1 1152 . 20 1 1 A 118 118 ARG CB C 6 28.501 42.372 -13.871 1
1 1157 . 20 1 1 A 118 118 ARG C C 6 176.000 173.961 2.039 1
1 1158 . 20 1 1 A 119 119 ILE N N 7 123.548 135.330 -11.782 1
1 1160 . 20 1 1 A 119 119 ILE CA C 7 58.678 62.255 -3.577 1
1 1161 . 20 1 1 A 119 119 ILE HA H 7 4.044 4.746 -0.702 1
1 1162 . 20 1 1 A 119 119 ILE CB C 7 36.336 29.546 6.790 1
1 1175 . 20 1 1 A 119 119 ILE C C 7 176.188 175.742 0.446 1
1 1176 . 20 1 1 A 120 120 VAL N N 8 125.619 122.027 3.592 1
1 1177 . 20 1 1 A 120 120 VAL H H 8 8.270 8.430 -0.160 1
1 1178 . 20 1 1 A 120 120 VAL CA C 8 60.094 52.385 7.709 1
1 1179 . 20 1 1 A 120 120 VAL HA H 8 4.147 4.869 -0.722 1
1 1180 . 20 1 1 A 120 120 VAL CB C 8 30.545 39.893 -9.348 1
1 1186 . 20 1 1 A 120 120 VAL C C 8 176.208 175.159 1.049 1
1 1187 . 20 1 1 A 121 121 THR N N 9 118.036 119.685 -1.649 1
1 1188 . 20 1 1 A 121 121 THR H H 9 8.207 8.724 -0.517 1
1 1189 . 20 1 1 A 121 121 THR CA C 9 59.152 59.190 -0.038 1
1 1190 . 20 1 1 A 121 121 THR HA H 9 4.355 4.446 -0.091 1
1 1191 . 20 1 1 A 121 121 THR CB C 9 67.781 61.731 6.050 1
1 1196 . 20 1 1 A 121 121 THR C C 9 173.524 173.035 0.489 1
1 1197 . 20 1 1 A 122 122 LEU N N 10 128.102 127.708 0.394 1
1 1198 . 20 1 1 A 122 122 LEU H H 10 7.877 8.456 -0.579 1
1 1199 . 20 1 1 A 122 122 LEU CA C 10 53.760 53.150 0.610 1
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Assigned_chem_shift_list_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Entity_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Entity_delta_chem_shifts_ID
1 1 1 1 "RMS(OBS, PRED)" C 8 2.084 1
2 1 1 1 "RMS(OBS, PRED)" CA 9 5.248 1
3 1 1 1 "RMS(OBS, PRED)" CB 7 18.409 1
4 1 1 1 "RMS(OBS, PRED)" H 7 0.437 1
5 1 1 1 "RMS(OBS, PRED)" HA 7 0.504 1
6 1 1 1 "RMS(OBS, PRED)" N 9 10.266 1
7 1 2 1 "RMS(OBS, PRED)" C 8 1.786 1
8 1 2 1 "RMS(OBS, PRED)" CA 9 5.192 1
9 1 2 1 "RMS(OBS, PRED)" CB 7 19.934 1
10 1 2 1 "RMS(OBS, PRED)" H 7 0.830 1
11 1 2 1 "RMS(OBS, PRED)" HA 7 0.790 1
12 1 2 1 "RMS(OBS, PRED)" N 9 10.760 1
13 1 3 1 "RMS(OBS, PRED)" C 8 2.532 1
14 1 3 1 "RMS(OBS, PRED)" CA 9 5.539 1
15 1 3 1 "RMS(OBS, PRED)" CB 7 19.579 1
16 1 3 1 "RMS(OBS, PRED)" H 7 0.610 1
17 1 3 1 "RMS(OBS, PRED)" HA 7 0.690 1
18 1 3 1 "RMS(OBS, PRED)" N 9 10.336 1
19 1 4 1 "RMS(OBS, PRED)" C 8 2.318 1
20 1 4 1 "RMS(OBS, PRED)" CA 9 4.783 1
21 1 4 1 "RMS(OBS, PRED)" CB 7 18.361 1
22 1 4 1 "RMS(OBS, PRED)" H 7 0.429 1
23 1 4 1 "RMS(OBS, PRED)" HA 7 0.681 1
24 1 4 1 "RMS(OBS, PRED)" N 9 12.084 1
25 1 5 1 "RMS(OBS, PRED)" C 8 1.899 1
26 1 5 1 "RMS(OBS, PRED)" CA 9 5.495 1
27 1 5 1 "RMS(OBS, PRED)" CB 7 20.299 1
28 1 5 1 "RMS(OBS, PRED)" H 7 0.535 1
29 1 5 1 "RMS(OBS, PRED)" HA 7 0.613 1
30 1 5 1 "RMS(OBS, PRED)" N 9 11.561 1
31 1 6 1 "RMS(OBS, PRED)" C 8 2.350 1
32 1 6 1 "RMS(OBS, PRED)" CA 9 4.165 1
33 1 6 1 "RMS(OBS, PRED)" CB 7 18.346 1
34 1 6 1 "RMS(OBS, PRED)" H 7 0.534 1
35 1 6 1 "RMS(OBS, PRED)" HA 7 0.573 1
36 1 6 1 "RMS(OBS, PRED)" N 9 11.368 1
37 1 7 1 "RMS(OBS, PRED)" C 8 2.343 1
38 1 7 1 "RMS(OBS, PRED)" CA 9 4.690 1
39 1 7 1 "RMS(OBS, PRED)" CB 7 19.985 1
40 1 7 1 "RMS(OBS, PRED)" H 7 0.585 1
41 1 7 1 "RMS(OBS, PRED)" HA 7 0.613 1
42 1 7 1 "RMS(OBS, PRED)" N 9 11.354 1
43 1 8 1 "RMS(OBS, PRED)" C 8 2.449 1
44 1 8 1 "RMS(OBS, PRED)" CA 9 4.859 1
45 1 8 1 "RMS(OBS, PRED)" CB 7 18.446 1
46 1 8 1 "RMS(OBS, PRED)" H 7 0.556 1
47 1 8 1 "RMS(OBS, PRED)" HA 7 0.624 1
48 1 8 1 "RMS(OBS, PRED)" N 9 11.723 1
49 1 9 1 "RMS(OBS, PRED)" C 8 2.726 1
50 1 9 1 "RMS(OBS, PRED)" CA 9 5.413 1
51 1 9 1 "RMS(OBS, PRED)" CB 7 19.341 1
52 1 9 1 "RMS(OBS, PRED)" H 7 0.443 1
53 1 9 1 "RMS(OBS, PRED)" HA 7 0.798 1
54 1 9 1 "RMS(OBS, PRED)" N 9 10.161 1
55 1 10 1 "RMS(OBS, PRED)" C 8 2.133 1
56 1 10 1 "RMS(OBS, PRED)" CA 9 5.655 1
57 1 10 1 "RMS(OBS, PRED)" CB 7 18.902 1
58 1 10 1 "RMS(OBS, PRED)" H 7 0.508 1
59 1 10 1 "RMS(OBS, PRED)" HA 7 0.650 1
60 1 10 1 "RMS(OBS, PRED)" N 9 10.428 1
61 1 11 1 "RMS(OBS, PRED)" C 8 2.270 1
62 1 11 1 "RMS(OBS, PRED)" CA 9 4.893 1
63 1 11 1 "RMS(OBS, PRED)" CB 7 19.020 1
64 1 11 1 "RMS(OBS, PRED)" H 7 0.695 1
65 1 11 1 "RMS(OBS, PRED)" HA 7 0.604 1
66 1 11 1 "RMS(OBS, PRED)" N 9 11.403 1
67 1 12 1 "RMS(OBS, PRED)" C 8 2.193 1
68 1 12 1 "RMS(OBS, PRED)" CA 9 4.622 1
69 1 12 1 "RMS(OBS, PRED)" CB 7 18.943 1
70 1 12 1 "RMS(OBS, PRED)" H 7 0.579 1
71 1 12 1 "RMS(OBS, PRED)" HA 7 0.434 1
72 1 12 1 "RMS(OBS, PRED)" N 9 11.136 1
73 1 13 1 "RMS(OBS, PRED)" C 8 2.720 1
74 1 13 1 "RMS(OBS, PRED)" CA 9 4.756 1
75 1 13 1 "RMS(OBS, PRED)" CB 7 18.587 1
76 1 13 1 "RMS(OBS, PRED)" H 7 0.512 1
77 1 13 1 "RMS(OBS, PRED)" HA 7 0.752 1
78 1 13 1 "RMS(OBS, PRED)" N 9 10.719 1
79 1 14 1 "RMS(OBS, PRED)" C 8 2.615 1
80 1 14 1 "RMS(OBS, PRED)" CA 9 4.818 1
81 1 14 1 "RMS(OBS, PRED)" CB 7 19.611 1
82 1 14 1 "RMS(OBS, PRED)" H 7 0.624 1
83 1 14 1 "RMS(OBS, PRED)" HA 7 0.780 1
84 1 14 1 "RMS(OBS, PRED)" N 9 10.012 1
85 1 15 1 "RMS(OBS, PRED)" C 8 2.262 1
86 1 15 1 "RMS(OBS, PRED)" CA 9 4.733 1
87 1 15 1 "RMS(OBS, PRED)" CB 7 18.715 1
88 1 15 1 "RMS(OBS, PRED)" H 7 0.702 1
89 1 15 1 "RMS(OBS, PRED)" HA 7 0.838 1
90 1 15 1 "RMS(OBS, PRED)" N 9 10.089 1
91 1 16 1 "RMS(OBS, PRED)" C 8 2.420 1
92 1 16 1 "RMS(OBS, PRED)" CA 9 5.236 1
93 1 16 1 "RMS(OBS, PRED)" CB 7 18.581 1
94 1 16 1 "RMS(OBS, PRED)" H 7 0.593 1
95 1 16 1 "RMS(OBS, PRED)" HA 7 0.878 1
96 1 16 1 "RMS(OBS, PRED)" N 9 10.758 1
97 1 17 1 "RMS(OBS, PRED)" C 8 2.038 1
98 1 17 1 "RMS(OBS, PRED)" CA 9 5.591 1
99 1 17 1 "RMS(OBS, PRED)" CB 7 19.883 1
100 1 17 1 "RMS(OBS, PRED)" H 7 0.655 1
101 1 17 1 "RMS(OBS, PRED)" HA 7 0.796 1
102 1 17 1 "RMS(OBS, PRED)" N 9 8.677 1
103 1 18 1 "RMS(OBS, PRED)" C 8 2.297 1
104 1 18 1 "RMS(OBS, PRED)" CA 9 4.651 1
105 1 18 1 "RMS(OBS, PRED)" CB 7 18.362 1
106 1 18 1 "RMS(OBS, PRED)" H 7 0.765 1
107 1 18 1 "RMS(OBS, PRED)" HA 7 0.829 1
108 1 18 1 "RMS(OBS, PRED)" N 9 10.438 1
109 1 19 1 "RMS(OBS, PRED)" C 8 2.144 1
110 1 19 1 "RMS(OBS, PRED)" CA 9 5.006 1
111 1 19 1 "RMS(OBS, PRED)" CB 7 18.597 1
112 1 19 1 "RMS(OBS, PRED)" H 7 0.636 1
113 1 19 1 "RMS(OBS, PRED)" HA 7 0.873 1
114 1 19 1 "RMS(OBS, PRED)" N 9 10.634 1
115 1 20 1 "RMS(OBS, PRED)" C 8 2.251 1
116 1 20 1 "RMS(OBS, PRED)" CA 9 4.664 1
117 1 20 1 "RMS(OBS, PRED)" CB 7 18.684 1
118 1 20 1 "RMS(OBS, PRED)" H 7 0.718 1
119 1 20 1 "RMS(OBS, PRED)" HA 7 0.714 1
120 1 20 1 "RMS(OBS, PRED)" N 9 9.673 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1118 . 1 1 A 114 114 ASP N N 2 123.201 117.032 6.169 2
1 1119 . 1 1 A 114 114 ASP H H 2 8.265 8.406 -0.141 2
1 1120 . 1 1 A 114 114 ASP CA C 2 52.187 56.383 -4.196 2
1 1121 . 1 1 A 114 114 ASP HA H 2 4.580 4.866 -0.286 2
1 1122 . 1 1 A 114 114 ASP CB C 2 39.357 63.751 -24.394 2
1 1125 . 1 1 A 114 114 ASP C C 2 176.910 172.449 4.461 2
1 1126 . 1 1 A 115 115 SER N N 3 116.588 137.237 -20.649 2
1 1128 . 1 1 A 115 115 SER CA C 3 56.867 62.719 -5.852 2
1 1129 . 1 1 A 115 115 SER HA H 3 4.344 4.662 -0.318 2
1 1130 . 1 1 A 115 115 SER CB C 3 61.566 32.365 29.201 2
1 1133 . 1 1 A 115 115 SER C C 3 175.355 176.213 -0.858 2
1 1134 . 1 1 A 116 116 SER N N 4 117.864 121.167 -3.303 2
1 1135 . 1 1 A 116 116 SER H H 4 8.366 8.603 -0.237 2
1 1136 . 1 1 A 116 116 SER CA C 4 57.218 57.322 -0.104 2
1 1137 . 1 1 A 116 116 SER HA H 4 4.345 4.876 -0.531 2
1 1138 . 1 1 A 116 116 SER CB C 4 61.526 40.814 20.712 2
1 1141 . 1 1 A 116 116 SER C C 4 175.309 174.563 0.746 2
1 1142 . 1 1 A 117 117 GLY N N 5 110.356 123.469 -13.113 2
1 1143 . 1 1 A 117 117 GLY H H 5 8.280 8.509 -0.229 2
1 1144 . 1 1 A 117 117 GLY CA C 5 43.301 51.074 -7.773 2
1 1147 . 1 1 A 117 117 GLY C C 5 173.950 175.907 -1.957 2
1 1148 . 1 1 A 118 118 ARG N N 6 120.552 119.852 0.700 2
1 1149 . 1 1 A 118 118 ARG H H 6 7.896 8.587 -0.691 2
1 1150 . 1 1 A 118 118 ARG CA C 6 53.974 51.763 2.211 2
1 1151 . 1 1 A 118 118 ARG HA H 6 4.276 5.084 -0.808 2
1 1152 . 1 1 A 118 118 ARG CB C 6 28.501 41.304 -12.803 2
1 1157 . 1 1 A 118 118 ARG C C 6 176.000 174.324 1.676 2
1 1158 . 1 1 A 119 119 ILE N N 7 123.548 136.337 -12.789 2
1 1160 . 1 1 A 119 119 ILE CA C 7 58.678 62.764 -4.086 2
1 1161 . 1 1 A 119 119 ILE HA H 7 4.044 4.624 -0.580 2
1 1162 . 1 1 A 119 119 ILE CB C 7 36.336 31.767 4.569 2
1 1175 . 1 1 A 119 119 ILE C C 7 176.188 176.117 0.071 2
1 1176 . 1 1 A 120 120 VAL N N 8 125.619 119.688 5.931 2
1 1177 . 1 1 A 120 120 VAL H H 8 8.270 8.501 -0.231 2
1 1178 . 1 1 A 120 120 VAL CA C 8 60.094 52.649 7.445 2
1 1179 . 1 1 A 120 120 VAL HA H 8 4.147 4.997 -0.850 2
1 1180 . 1 1 A 120 120 VAL CB C 8 30.545 40.065 -9.520 2
1 1186 . 1 1 A 120 120 VAL C C 8 176.208 174.131 2.077 2
1 1187 . 1 1 A 121 121 THR N N 9 118.036 117.826 0.210 2
1 1188 . 1 1 A 121 121 THR H H 9 8.207 8.557 -0.350 2
1 1189 . 1 1 A 121 121 THR CA C 9 59.152 57.677 1.475 2
1 1190 . 1 1 A 121 121 THR HA H 9 4.355 4.941 -0.585 2
1 1191 . 1 1 A 121 121 THR CB C 9 67.781 64.775 3.006 2
1 1196 . 1 1 A 121 121 THR C C 9 173.524 173.108 0.416 2
1 1197 . 1 1 A 122 122 LEU N N 10 128.102 124.866 3.236 2
1 1198 . 1 1 A 122 122 LEU H H 10 7.877 8.525 -0.648 2
1 1199 . 1 1 A 122 122 LEU CA C 10 53.760 54.076 -0.316 2
stop_
save_