Content for NMR-STAR saveframe, "spectral_peak_list_7"
save_spectral_peak_list_7
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_7
_Spectral_peak_list.Entry_ID 30093
_Spectral_peak_list.ID 7
_Spectral_peak_list.Name .
_Spectral_peak_list.Sample_ID 16
_Spectral_peak_list.Sample_label $sample_16
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
_Spectral_peak_list.Chem_shift_reference_ID .
_Spectral_peak_list.Chem_shift_reference_label .
_Spectral_peak_list.Experiment_ID 36
_Spectral_peak_list.Experiment_name '13C-edited, 12C-filtered 3D NOESY-HSQC'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 3
_Spectral_peak_list.Chemical_shift_list .
_Spectral_peak_list.Assigned_chem_shift_list_ID .
_Spectral_peak_list.Assigned_chem_shift_list_label .
_Spectral_peak_list.Details
;
Residue numbering for CikA is offset by 612.
For example, residues 613 to 729 in CikA is residue 1 to 117 in this peak list.
Residue numbering for KaiB is offset by 200.
For example, residue 1 to 106 in KaiB is residue 201 to 306 in this peak list.
;
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
# Peak Pick Table, File: c12c13internoesy_v9.PCK
#
# Input Parameters:
DATA DIMCOUNT 3
DATA X_AXIS 256 3606.79 601.13 3607.393 PPM 0.00
DATA Y_AXIS 1024 7211.54 601.13 5409.766 PPM 0.00
DATA Z_AXIS 256 3023.20 151.16 7830.250 PPM 0.00
#
FORMAT %4d %4d %9.4f %9.4f %9.4f %+8.2e %10s
VARS PkID Sl.Z X Y Z Intensity Assign
934 1 2.3693 1.8781 51.8384 +7.48e+06 ****
1369 8 1.9979 4.8972 51.2925 +9.00e+06 A241.CA,HA; V28.HB
1203 8 0.9832 4.9004 51.2693 +8.63e+06 A241.CA,HA; V28.HG1#
905 11 1.3127 1.8233 51.0286 +9.65e+06 R205.CB,HB2|HB1; T23.HG2#
904 11 1.3107 1.7386 51.0242 +1.23e+07 R205.CB,HB1|HB2; T23.HG2#
1132 16 4.4204 3.9491 50.6288 +4.08e+07 T207.CB,HB; S19.HA
1133 16 4.2749 3.9478 50.6065 +2.56e+07 T207.CB,HB; T22.HB
1134 17 4.0677 3.9477 50.5870 +2.55e+07 T207.CB,HB; S19.HB1|HB2
1135 17 1.1439 3.9495 50.5580 +2.94e+07 T207.CB,HB; T22.HG2#
315 28 1.4866 1.6857 49.6814 +2.41e+07 K226.CD,HD1|HD2; A41.HB#
1179 28 0.7587 1.6976 49.6714 +7.78e+06 K226.CD,HD1|HD2; L42.HD2#
316 28 4.1463 1.6847 49.6631 +1.41e+07 K226.CD,HD1|HD2; A41.HA
950 38 3.0156 1.6596 48.9094 +2.83e+07 ****
951 40 2.8703 1.6773 48.7927 +1.36e+07 ****
388 53 0.7626 0.8974 47.7202 +1.43e+07 I245.CG1,HG12|HG11; V32.HG1#|HG2#
389 54 0.7507 0.7226 47.6987 +1.47e+07 I245.CG1,HG11|HG12; V32.HG1#|HG2#
935 55 4.0841 2.0213 47.5691 +8.67e+06 ****
1106 59 3.0383 1.6213 47.2983 +9.55e+06 ****
1104 59 4.0335 1.6257 47.2939 +1.23e+07 R205.CG,HG1|HG2; S19.HB1|HB2
1103 59 4.3747 1.6251 47.2742 +9.44e+06 R205.CG,HG1|HG2; T23.HB
906 59 1.3122 1.6210 47.2636 +2.32e+07 R205.CG,HG1|HG2; T23.HG2#
294 61 0.7546 1.5090 47.1491 +1.33e+07 L225.CG,HG; L42.HD2#
760 61 0.8812 1.5123 47.1057 +1.15e+07 L225.CG,HG; I29.HG2#|HD1#
362 62 0.8728 1.3175 47.0573 +1.02e+07 L242.CG,HG; I29.HG2#
1190 65 0.8947 0.6984 46.8166 +1.90e+07 L232.CD2,HD2#; I29.HD1#
1176 72 0.7729 0.8550 46.2560 +5.78e+07 L225.CD2,HD2#; L42.HD2#
1165 72 3.0314 0.8571 46.2523 +1.34e+07 ****
1297 72 1.8432 0.8565 46.2480 +3.63e+07 ****
1172 72 1.5071 0.8555 46.2475 +3.95e+07 L225.CD2,HD2#; R38.HG2
1299 72 0.8828 0.8556 46.2474 +7.27e+07 ****
1163 72 3.1922 0.8557 46.2449 +1.87e+07 L225.CD2,HD2#; R38.HD1
1162 72 3.8782 0.8552 46.2276 +1.87e+07 ****
1212 74 0.8951 1.0333 46.0829 +8.78e+06 L242.CB,HB2|HB1; I29.HD1#
1210 82 1.5611 0.6596 45.4871 +9.95e+06 L242.CD1,HD1#; I29.HG12
1206 82 5.1241 0.6561 45.4823 +1.80e+07 L242.CD1,HD1#; I29.HA
1211 82 1.3259 0.6589 45.4731 +1.28e+07 L242.CD1,HD1#; I29.HG11
1219 82 0.7619 0.6556 45.4667 +1.61e+07 L242.CD1,HD1#; L42.HD2#
1220 82 0.8909 0.6588 45.4552 +8.36e+07 L242.CD1,HD1#; I29.HG2#
1209 82 1.8992 0.6612 45.4511 +8.65e+06 L242.CD1,HD1#; I29.HB
946 86 0.7262 0.8950 45.1979 +3.38e+07 ****
1124 86 4.3964 0.8954 45.1536 +1.63e+07 L204.CD2,HD2#; A24.HA
1119 86 3.7236 0.8927 45.1519 +2.61e+07 L204.CD2,HD2#; I20.HA
945 86 0.8716 0.8926 45.1454 +5.69e+07 ****
1121 86 1.3168 0.8923 45.1344 +2.52e+07 L204.CD2,HD2#; T23.HG2#
1118 86 4.0726 0.8934 45.1309 +4.54e+07 L204.CD2,HD2#; S19.HB1|HB2
1120 87 1.0959 0.8934 45.1110 +2.29e+07 L204.CD2,HD2#; I20.HG2#
1175 94 0.7714 0.8502 44.5270 +5.84e+07 L225.CD1,HD1#; L42.HD2#
1164 94 3.0660 0.8587 44.5004 +8.54e+06 ****
1173 94 0.8864 0.8516 44.4984 +9.24e+07 L225.CD1,HD1#; L42.HD1#
1166 95 1.8562 0.8531 44.4954 +1.92e+07 L225.CD1,HD1#; R38.HB1
1161 95 3.8676 0.8466 44.4933 +1.03e+07 L225.CD1,HD1#; R38.HA
1171 95 1.5258 0.8466 44.4798 +1.50e+07 L225.CD1,HD1#; R38.HG2
1208 97 3.5904 0.7189 44.3245 +1.03e+07 ****
1296 98 1.8562 0.8556 44.2229 +1.29e+07 ****
1298 98 0.8845 0.7165 44.2229 +3.04e+07 ****
1207 98 5.1349 0.7160 44.1922 +9.87e+06 ****
1115 99 1.3174 0.8588 44.1755 +5.02e+07 L204.CD1,HD1#; T23.HG2#
1113 99 3.7251 0.8602 44.1662 +4.31e+07 L204.CD1,HD1#; I20.HA
1123 99 4.3648 0.8579 44.1656 +3.28e+07 L204.CD1,HD1#; T23.HB
1116 99 1.1159 0.8586 44.1458 +2.56e+07 L204.CD1,HD1#; I20.HG2#
1071 109 1.3165 3.1959 43.3803 +2.80e+07 R205.CD,HD1|HD2; T23.HG2#
1100 109 4.3717 3.1962 43.3776 +1.01e+07 R205.CD,HD1|HD2; T23.HB
1101 109 4.0339 3.1945 43.3756 +1.70e+07 R205.CD,HD1|HD2; S19.HB1|HB2
923 109 3.0793 3.1968 43.3671 +1.21e+08 ****
922 109 3.3122 3.1961 43.3649 +1.11e+08 ****
1154 113 3.8846 0.9137 43.0694 +1.56e+07 V222.CG1,HG1#|HG2#; R38.HA
739 113 2.0171 0.9101 43.0692 +8.24e+06 V222.CG1,HG1#|HG2#; E37.HB1
1156 113 1.4891 0.9153 43.0395 +4.86e+07 V222.CG1,HG1#|HG2#; A41.HB#
1152 113 4.1468 0.9154 43.0298 +1.37e+07 V222.CG1,HG2#|HG1#; A41.HA
926 114 4.2657 4.3879 42.9740 +3.69e+07 ****
927 114 4.5081 4.3900 42.9486 +3.50e+07 ****
954 126 1.4334 1.1280 42.0639 +2.46e+07 ****
952 126 2.8815 2.9992 42.0631 +1.33e+09 ****
953 126 3.1192 2.9990 42.0630 +1.32e+09 ****
1138 126 4.2800 1.1282 42.0602 +8.49e+07 T207.CG2,HG2#; T22.HB
1137 126 4.4120 1.1275 42.0590 +8.04e+07 T207.CG2,HG2#; S19.HA
1141 126 1.3115 1.1277 42.0554 +5.77e+07 T207.CG2,HG2#; T23.HG2#
1142 126 1.1523 1.1281 42.0518 +1.03e+08 T207.CG2,HG2#; T22.HG2#
1140 126 3.9003 1.1362 42.0518 +1.45e+07 T207.CG2,HG2#; C18.HA
1136 126 4.6939 1.1278 42.0509 +2.30e+07 T207.CG2,HG2#; T22.HA
1139 126 4.0497 1.1274 42.0491 +6.03e+07 T207.CG2,HG2#; S19.HB1|HB2
1224 126 3.2020 0.7009 42.0286 +6.75e+06 V244.CG1,HG1#; R38.HD1
1241 126 1.1478 4.4285 42.0268 +9.02e+06 T207.CA,HA; T22.HG2#
974 126 0.8731 0.7139 42.0013 +9.18e+07 V244.CG1,HG1#; L31.HD2#
376 127 4.7980 0.7131 41.9602 +1.29e+07 V244.CG1,HG1#; L31.HA
1191 128 4.1536 3.0579 41.8738 +2.67e+07 K237.CE,HE1|HE2; G25.HA1
784 129 1.8649 3.0125 41.7822 +1.03e+07 K226.CE,HE2|HE1; L42.HG
778 130 1.2169 2.9469 41.7251 +7.14e+06 K226.CE,HE1|HE2; T43.HG2#
1177 130 4.1461 3.0102 41.6874 +1.99e+07 K226.CE,HE2|HE1; A41.HA
317 131 1.4921 2.9468 41.6687 +3.16e+07 K226.CE,HE1|HE2; A41.HB#
318 131 4.1495 2.9471 41.6681 +2.41e+07 K226.CE,HE1|HE2; A41.HA
776 131 1.4916 3.0069 41.6622 +3.27e+07 K226.CE,HE2|HE1; A41.HB#
1178 131 1.2141 3.0009 41.6199 +9.05e+06 K226.CE,HE2|HE1; T43.HG2#
957 132 0.8856 1.0414 41.5959 +1.98e+07 ****
1146 132 3.4765 1.0452 41.5809 +1.84e+07 V209.CG2|CG1,HG2#|HG1#; T15.HA
1148 132 1.2218 1.0420 41.5584 +5.57e+07 V209.CG2|CG1,HG2#|HG1#; T15.HG2#
1144 132 3.9055 1.0417 41.5547 +8.73e+06 V209.CG2|CG1,HG2#|HG1#; C18.HA
958 132 1.0156 1.0375 41.5520 +8.14e+06 ****
1143 133 4.1195 1.0416 41.4922 +1.04e+07 V209.CG2|CG1,HG2#|HG1#; T15.HB
1153 134 4.1526 0.9082 41.3891 +2.50e+07 V222.CG2,HG2#|HG1#; A41.HA
1225 134 3.1938 0.7382 41.3812 +1.94e+07 V244.CG2,HG2#; R38.HD1
380 135 4.7900 0.7315 41.3687 +9.81e+06 V244.CG2,HG2#; L31.HA
1155 135 3.8818 0.9093 41.3672 +1.44e+07 V222.CG2,HG2#|HG1#; R38.HA
959 135 3.6103 0.8894 41.3666 +1.05e+07 ****
1157 135 1.4888 0.9104 41.3636 +8.52e+07 V222.CG2,HG2#|HG1#; A41.HB#
1226 135 3.0292 0.7369 41.3634 +1.24e+07 V244.CG2,HG2#; R38.HD2
975 135 0.8088 0.7372 41.3576 +6.25e+07 V244.CG2,HG2#; L31.HD1#
962 135 0.8822 0.9000 41.3226 +3.11e+07 ****
963 136 0.7749 0.9078 41.2772 +3.33e+07 ****
961 136 1.0243 0.9053 41.2522 +2.43e+07 ****
1194 138 4.2675 1.4884 41.1054 +9.65e+06 A241.CB,HB#; T22.HB
1196 138 3.4727 1.4870 41.0982 +1.43e+07 A241.CB,HB#; T15.HA
1198 138 2.3472 1.4818 41.0803 +2.13e+07 A241.CB,HB#; C18.HB2
1192 138 5.0886 1.4858 41.0760 +7.90e+06 A241.CB,HB#; V28.HA
1199 138 2.0053 1.4837 41.0713 +5.15e+07 A241.CB,HB#; V28.HB
1197 138 3.1508 1.4871 41.0683 +1.99e+07 A241.CB,HB#; C18.HB1
1201 139 1.1712 1.4820 41.0567 +2.02e+07 A241.CB,HB#; T22.HG2#
1195 139 3.9022 1.4863 41.0495 +3.58e+07 A241.CB,HB#; C18.HA
845 139 0.9838 1.4855 41.0198 +4.21e+07 A241.CB,HB#; V28.HG1#
847 139 0.9128 1.4855 41.0198 +4.57e+07 A241.CB,HB#; V28.HG2#
1193 139 4.4267 1.4836 40.9823 +7.21e+06 A241.CB,HB#; S19.HA
385 154 0.7626 4.0089 39.8428 +2.46e+07 I245.CA,HA; V32.HG1#|HG2#
390 161 0.7621 0.7599 39.2746 +4.38e+07 I245.CG2,HG2#; V32.HG1#|HG2#
391 162 2.3526 0.7696 39.2596 +6.59e+06 I245.CG2,HG2#; V32.HB
979 174 1.5210 1.4239 38.2920 +3.19e+07 ****
1184 187 1.8719 1.2566 37.2771 +1.28e+07 A229.CB,HB#; L42.HG
1185 187 0.7553 1.2552 37.2534 +7.13e+07 A229.CB,HB#; L42.HD2#
1182 187 1.5444 1.2582 37.2489 +1.09e+07 A229.CB,HB#; I29.HG12
1181 187 4.1082 1.2515 37.2472 +1.44e+07 A229.CB,HB#; L42.HA
1186 187 0.8893 1.2557 37.2461 +1.31e+08 A229.CB,HB#; I29.HD1#
1183 188 1.3618 1.2553 37.2225 +2.16e+07 A229.CB,HB#; I29.HG11
1127 202 4.0765 4.3297 36.0874 +1.12e+07 K206.CA,HA; S19.HB1|HB2
978 205 1.3162 4.3344 35.8991 +8.35e+06 ****
903 207 1.3286 4.3681 35.7101 +7.81e+06 R205.CA,HA; T23.HG2#
977 207 4.2158 4.3312 35.7078 +3.89e+07 ****
976 208 4.4478 4.3306 35.6291 +3.90e+07 ****
1109 211 4.4443 4.3279 35.3948 +3.10e+07 R205.CA,HA; S19.HA
924 213 4.1823 4.3006 35.2606 +1.65e+07 ****
200 215 1.3144 4.2934 35.0999 +3.55e+07 L204.CA,HA; T23.HG2#
1228 227 0.7528 0.2609 34.1598 +7.45e+07 I245.CD1,HD1#; V32.HG1#
392 227 2.3612 0.2623 34.1337 +7.40e+06 I245.CD1,HD1#; V32.HB
1222 237 4.7820 1.8993 33.3346 +8.42e+06 V244.CB,HB; L31.HA
1227 237 0.8074 1.8935 33.3337 +2.00e+07 V244.CB,HB; L31.HD1#
930 255 1.7564 1.8655 31.9630 +1.32e+07 ****
928 256 2.3719 2.2589 31.9123 +1.45e+07 ****
929 256 1.9800 1.8680 31.9025 +1.27e+07 ****
931 256 2.1405 1.8604 31.8923 +9.88e+06 ****
933 256 1.9870 2.2526 31.8846 +9.04e+06 ****
932 256 1.7591 2.2568 31.8826 +6.46e+06 ****
;
loop_
_Spectral_dim.ID
_Spectral_dim.Axis_code
_Spectral_dim.Spectrometer_frequency
_Spectral_dim.Atom_type
_Spectral_dim.Atom_isotope_number
_Spectral_dim.Spectral_region
_Spectral_dim.Magnetization_linkage_ID
_Spectral_dim.Under_sampling_type
_Spectral_dim.Sweep_width
_Spectral_dim.Sweep_width_units
_Spectral_dim.Value_first_point
_Spectral_dim.Absolute_peak_positions
_Spectral_dim.Acquisition
_Spectral_dim.Center_frequency_offset
_Spectral_dim.Encoding_code
_Spectral_dim.Encoded_reduced_dimension_ID
_Spectral_dim.Entry_ID
_Spectral_dim.Spectral_peak_list_ID
1 . . H 1 H-aliphatic . 'not observed' 7211.539 Hz . . . 1918.60 . . 30093 7
2 . . C 13 C-aliphatic . folded 3023.204 Hz . . . 5944.17 . . 30093 7
3 . . H 1 H-aliphatic . 'not observed' 3606.792 Hz . . . 1918.60 . . 30093 7
stop_
loop_
_Spectral_peak_software.Software_ID
_Spectral_peak_software.Software_label
_Spectral_peak_software.Method_ID
_Spectral_peak_software.Method_label
_Spectral_peak_software.Entry_ID
_Spectral_peak_software.Spectral_peak_list_ID
3 $software_3 . . 30093 7
5 $software_5 . . 30093 7
stop_
save_