Content for NMR-STAR saveframe, "spectral_peak_list_4"
save_spectral_peak_list_4
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_4
_Spectral_peak_list.Entry_ID 30093
_Spectral_peak_list.ID 4
_Spectral_peak_list.Name .
_Spectral_peak_list.Sample_ID 15
_Spectral_peak_list.Sample_label $sample_15
_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 3606.191 PPM 0.00
DATA Y_AXIS 1024 7211.54 601.13 5408.564 PPM 0.00
DATA Z_AXIS 256 3023.20 151.16 7829.947 PPM 0.00
#
FORMAT %4d %4d %9.4f %9.4f %9.4f %+8.2e %10s
VARS PkID Sl.Z X Y Z Intensity Assign
1320 3 0.8872 2.3755 51.6442 +7.27e+06 V32.CB,HB; I245.HG12|HG11
560 25 0.8870 1.8124 49.9513 +6.57e+06 R38.CB,HB1; L225.HD1#|HD2#
507 37 0.6927 1.5456 49.0119 +1.18e+07 I29.CG1,HG12; L242.HD1#|HD2#
1014 37 1.6573 1.5513 49.0102 +6.95e+06 ****
508 37 0.6860 1.3251 48.9909 +1.36e+07 I29.CG1,HG11; L242.HD1#|HD2#
1128 37 1.7797 1.6566 48.9494 +5.49e+06 ****
1289 38 1.2746 1.5388 48.9315 +8.58e+06 I29.CG1,HG12; A229.HB#
1261 40 0.8689 4.3538 48.7277 +1.24e+07 T23.CB,HB; L204.HD1#
1260 40 4.3069 4.3545 48.7138 +6.98e+06 T23.CB,HB; L204.HA
1246 41 0.8857 1.8768 48.6434 +7.44e+06 I20.CG1,HG11; L204.HD2#
1324 44 0.8634 1.5405 48.4414 +1.30e+07 R38.CG,HG2; L225.HD2#
1248 44 3.9630 4.2693 48.4297 +9.11e+06 T22.CB,HB; T207.HB
550 44 0.8603 1.4159 48.4224 +1.30e+07 R38.CG,HG1; L225.HD1#
1249 44 1.1313 4.2746 48.4097 +2.22e+07 T22.CB,HB; T207.HG2#
1023 54 0.8808 1.7659 47.6385 +8.26e+06 ****
1346 63 1.2383 1.8264 46.9641 +6.83e+06 L42.CG,HG; A229.HB#
1347 63 0.8671 1.8340 46.9177 +1.16e+07 L42.CG,HG; L225.HD2#
1351 64 0.7239 0.8924 46.9032 +1.80e+07 L42.CD1,HD1#; V244.HG2#
1350 64 0.8569 0.8937 46.8825 +5.77e+07 L42.CD1,HD1#; L225.HD2#
1349 64 1.2572 0.8973 46.8736 +1.40e+07 L42.CD1,HD1#; A229.HB#
1348 64 1.4993 0.8925 46.8725 +1.28e+07 L42.CD1,HD1#; L225.HG
1039 65 2.4008 0.9159 46.8222 +5.70e+06 ****
1258 70 3.9293 4.0190 46.4433 +7.08e+06 T23.CA,HA; T207.HB
446 70 1.1177 3.1436 46.4272 +5.41e+06 C18.CB,HB1; T207.HG2#
1236 70 1.4807 3.1526 46.4218 +1.58e+07 C18.CB,HB1; A241.HB#
1237 70 1.4870 2.3452 46.4118 +1.37e+07 C18.CB,HB2; A241.HB#
1259 70 1.1286 4.0202 46.3979 +9.47e+06 T23.CA,HA; T207.HG2#
1238 70 1.1285 2.3611 46.3820 +6.10e+06 C18.CB,HB2; T207.HG2#
1299 73 0.8595 0.8478 46.1487 +2.44e+07 L31.CD2,HD2#; L225.HD2#
1021 74 3.6542 0.8584 46.1342 +8.50e+06 ****
1297 74 1.9001 0.8542 46.0959 +1.36e+07 L31.CD2,HD2#; V244.HB
526 74 0.7271 0.8535 46.0717 +2.26e+07 L31.CD2,HD2#; V244.HG1#|HG2#
997 81 0.8654 0.7622 45.5781 +3.04e+07 ****
996 81 2.9833 0.7611 45.5320 +9.66e+06 ****
74 83 3.0663 3.5371 45.3741 +9.91e+06 G25.CA,HA2; K237.HE1|HE2
1235 84 1.4843 3.8891 45.3324 +1.22e+07 C18.CA,HA; A241.HB#
1273 84 3.0465 4.1579 45.3224 +6.23e+06 G25.CA,HA1; K237.HE1|HE2
1321 94 1.6991 2.5850 44.5001 +1.27e+07 ****
1322 95 3.0225 2.5786 44.4757 +1.21e+07 ****
88 99 4.9106 0.9265 44.1474 +1.50e+07 V28.CG2,HG2#; A241.HA
89 99 1.4864 0.9258 44.1145 +2.01e+07 V28.CG2,HG2#; A241.HB#
1022 101 1.6998 0.8163 43.9568 +6.98e+06 ****
523 101 0.7252 0.8073 43.9563 +1.00e+08 L31.CD1,HD1#; V244.HG1#|HG2#
1296 101 1.9038 0.8071 43.9561 +7.69e+07 L31.CD1,HD1#; V244.HB
1298 101 0.8519 0.8077 43.9537 +5.40e+07 L31.CD1,HD1#; L225.HD1#
1328 108 0.8627 3.2101 43.4179 +1.47e+07 R38.CD,HD1; L225.HD2#
1326 108 0.7258 3.0323 43.4124 +1.13e+07 R38.CD,HD2; V244.HG1#
1325 109 0.7342 3.1975 43.3888 +1.05e+07 R38.CD,HD1; V244.HG2#
1329 109 0.8601 3.0311 43.3871 +1.43e+07 R38.CD,HD2; L225.HD1#
987 112 4.3553 0.8611 43.1598 +5.69e+06 ****
923 112 3.0244 3.1439 43.1271 +2.06e+07 ****
1034 114 1.2583 0.9816 42.9620 +6.63e+06 ****
1010 115 1.0924 0.9870 42.8620 +1.99e+07 ****
1242 115 1.6256 4.0629 42.8617 +1.19e+07 S19.CB,HB1|HB2; R205.HG1|HG2
1244 116 0.8880 4.0640 42.8536 +2.53e+07 S19.CB,HB1|HB2; L204.HD2#
1360 116 2.9924 0.7511 42.8270 +1.20e+07 ****
1240 116 4.3307 4.0626 42.8167 +1.99e+07 S19.CB,HB1|HB2; R205.HA
1243 116 1.1253 4.0580 42.8149 +1.46e+07 S19.CB,HB1|HB2; T207.HG2#
1008 116 0.8715 0.9921 42.8022 +2.90e+07 ****
1355 116 1.2615 0.7511 42.7994 +8.15e+07 L42.CD2,HD2#; A229.HB#
1358 116 1.6877 0.7522 42.7968 +2.33e+07 L42.CD2,HD2#; K226.HG2|HG1
1353 116 0.8588 0.7511 42.7967 +1.23e+08 L42.CD2,HD2#; L225.HD2#
1363 116 3.7996 0.7532 42.7842 +4.04e+07 L42.CD2,HD2#; K226.HA
1354 116 0.7070 0.7506 42.7799 +2.49e+07 L42.CD2,HD2#; V244.HG2#
25 117 3.9521 4.0638 42.7736 +1.99e+07 S19.CB,HB1|HB2; T207.HB
1043 117 2.0279 0.7507 42.7613 +1.06e+07 ****
1281 117 1.4854 0.9871 42.7529 +4.16e+07 V28.CG1,HG1#; A241.HB#
1359 117 1.8639 0.7585 42.7309 +1.03e+07 L42.CD2,HD2#; K226.HB1|HB2
1009 117 0.7239 0.9918 42.7214 +1.50e+07 ****
82 117 4.9047 0.9850 42.7179 +2.16e+07 V28.CG1,HG1#; A241.HA
1270 128 1.1282 1.3105 41.8822 +6.56e+07 T23.CG2,HG2#; T207.HG2#
1365 128 1.6252 1.3103 41.8772 +5.80e+07 T23.CG2,HG2#; L204.HG
1266 128 1.7745 1.3096 41.8761 +2.59e+07 T23.CG2,HG2#; K206.HB1|HB2
1306 128 4.0173 0.7259 41.8752 +9.92e+06 V32.CG2,HG2#; I245.HA
1309 128 0.7492 0.7245 41.8748 +2.17e+07 V32.CG2,HG2#; I245.HG2#
1029 128 3.5791 0.7140 41.8649 +1.69e+07 ****
1269 128 0.8723 1.3101 41.8638 +6.32e+07 T23.CG2,HG2#; L204.HD2#
1263 128 3.1983 1.3097 41.8560 +2.99e+07 T23.CG2,HG2#; R205.HD1|HD2
1262 129 3.9611 1.3088 41.8325 +1.43e+07 T23.CG2,HG2#; T207.HB
1308 129 0.9148 0.7243 41.8313 +6.03e+07 V32.CG2,HG2#; I245.HG12|HG11
1241 129 1.1359 4.4206 41.8232 +1.46e+07 S19.CA,HA; T207.HG2#
1239 129 3.9507 4.4215 41.8230 +1.59e+07 S19.CA,HA; T207.HB
1027 129 0.5910 0.7255 41.8062 +1.17e+07 ****
992 132 1.5784 1.2285 41.5899 +1.78e+07 ****
1231 132 0.9816 1.2298 41.5852 +1.26e+08 T15.CG2,HG2#; L269.HD1#
1026 132 0.4168 0.7227 41.5646 +1.26e+07 ****
995 132 4.1345 1.2389 41.5307 +8.02e+06 ****
1229 133 2.0174 1.2291 41.5238 +1.04e+07 T15.CG2,HG2#; V209.HB
1250 140 5.4864 1.1558 40.9447 +5.70e+06 T22.CG2,HG2#; Y240.HA
1251 140 4.8966 1.1471 40.9403 +7.86e+06 T22.CG2,HG2#; A241.HA
1256 140 0.7771 1.1430 40.9363 +1.11e+07 T22.CG2,HG2#; V239.HG2#
1035 140 0.7659 0.8667 40.9231 +2.01e+07 ****
1253 140 3.9620 1.1479 40.9179 +7.83e+07 T22.CG2,HG2#; T207.HB
1255 140 1.1281 1.1475 40.9167 +1.01e+08 T22.CG2,HG2#; T207.HG2#
1254 141 1.4997 1.1451 40.8934 +1.41e+07 T22.CG2,HG2#; A241.HB#
1036 141 0.9687 0.8654 40.8891 +2.05e+07 ****
1252 141 4.4216 1.1453 40.8839 +1.95e+07 T22.CG2,HG2#; T207.HA
1000 141 3.0591 1.1445 40.8596 +5.63e+06 ****
1283 147 0.6955 5.1150 40.4020 +8.12e+06 I29.CA,HA; L242.HD1#
1007 150 4.2863 1.6904 40.1604 +6.69e+06 ****
1271 152 1.5877 1.6949 40.0288 +1.17e+07 A24.CB,HB#; L204.HB1|HB2
1272 152 1.7944 1.6971 40.0051 +1.11e+07 ****
1317 153 1.3082 0.7707 39.9228 +1.30e+07 V32.CG1,HG1#; I245.HB
1311 153 0.2638 0.7708 39.9038 +3.43e+07 V32.CG1,HG1#; I245.HD1#
1319 153 4.0155 0.7702 39.8881 +6.52e+07 V32.CG1,HG1#; I245.HA
1314 154 0.9121 0.7706 39.8822 +8.86e+07 V32.CG1,HG1#; L253.HD1#
1312 154 0.7469 0.7713 39.8729 +6.83e+07 V32.CG1,HG1#; I245.HG2#
1024 154 0.4273 0.7807 39.8116 +1.58e+07 ****
1291 155 1.9029 0.8836 39.7834 +9.80e+06 I29.CG2,HG2#; V244.HB
1294 155 0.8533 0.8839 39.7674 +4.44e+07 I29.CG2,HG2#; L225.HD2#
1292 155 1.2897 0.8825 39.7583 +1.77e+07 I29.CG2,HG2#; L242.HG
517 155 0.7031 0.8838 39.7492 +8.35e+07 I29.CG2,HG2#; L242.HD1#|HD2#
1012 156 1.4933 0.8791 39.6526 +8.58e+06 ****
518 158 0.7155 1.8955 39.5721 +6.96e+06 I29.CB,HB; L242.HD2#
1046 171 1.2840 1.1768 38.5264 +7.38e+06 ****
1045 171 1.0716 1.1708 38.4837 +1.01e+07 ****
1343 176 1.3807 1.4917 38.1295 +4.84e+07 A41.CB,HB#; L225.HB2|HB1
989 176 1.6099 1.4934 38.1044 +4.32e+07 ****
1247 178 0.8770 1.0914 37.9822 +2.63e+07 I20.CG2,HG2#; L204.HD2#
1337 178 3.5657 1.4775 37.9746 +1.99e+07 A41.CB,HB#; V222.HA
1339 178 1.8322 1.4746 37.9463 +7.19e+06 A41.CB,HB#; K226.HB1|HB2
1344 179 0.9085 1.4808 37.9306 +1.34e+08 A41.CB,HB#; V222.HG2#|HG1#
1338 179 2.0096 1.4776 37.9242 +1.04e+07 A41.CB,HB#; V222.HB
1335 179 4.0323 1.4761 37.9230 +9.60e+06 A41.CB,HB#; R223.HA
1340 179 1.6817 1.4808 37.9161 +5.39e+07 A41.CB,HB#; K226.HG2|HG1
1334 179 4.2753 1.4804 37.8965 +7.56e+06 ****
881 179 2.9445 1.4831 37.8928 +3.68e+07 A41.CB,HB#; K226.HE1|HE2
882 179 3.0244 1.4814 37.8928 +3.58e+07 A41.CB,HB#; K226.HE2|HE1
1336 179 3.8036 1.4855 37.8830 +1.09e+07 A41.CB,HB#; K226.HA
1285 217 1.0260 0.8938 34.9288 +1.64e+07 I29.CD1,HD1#; L242.HB2|HB1
1015 217 4.2145 0.8943 34.9032 +7.30e+06 ****
1047 217 1.1337 1.0332 34.8938 +9.59e+06 ****
1286 217 1.4792 0.8941 34.8917 +1.74e+07 I29.CD1,HD1#; L225.HB1|HB2
1017 217 1.6644 0.8923 34.8884 +8.50e+06 ****
1019 217 1.2611 0.8965 34.8863 +9.53e+07 ****
1287 217 3.7271 0.8954 34.8855 +3.38e+07 I29.CD1,HD1#; A229.HA
499 218 0.6836 0.8959 34.8847 +7.52e+07 I29.CD1,HD1#; L242.HD1#|HD2#
1284 218 0.8433 0.8963 34.8789 +4.96e+07 I29.CD1,HD1#; L225.HD2#
1245 218 0.8803 0.6994 34.8398 +3.14e+07 ****
1016 218 1.9757 0.8971 34.8194 +1.20e+07 ****
1288 219 5.0881 0.8990 34.7660 +6.25e+06 I29.CD1,HD1#; L242.HA
1333 226 0.8888 4.1523 34.2182 +8.22e+06 A41.CA,HA; V222.HG2#|HG1#
1330 227 4.0163 4.1575 34.1808 +7.00e+06 A41.CA,HA; R223.HA
1332 229 2.9912 4.1591 33.9921 +7.97e+06 A41.CA,HA; K226.HE2|HE1
1276 231 4.2049 5.0037 33.8064 +8.82e+06 Q27.CA,HA; K237.HA
1300 237 0.7235 4.8043 33.3932 +6.35e+06 L31.CA,HA; V244.HG1#
1278 237 1.4902 2.0035 33.3495 +1.48e+07 V28.CB,HB; A241.HB#
1277 239 4.9040 2.0019 33.1813 +1.01e+07 V28.CB,HB; A241.HA
1005 248 4.5148 4.3970 32.5120 +9.67e+07 ****
;
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 4
2 . . C 13 C-aliphatic . folded 3023.204 Hz . . . 5944.17 . . 30093 4
3 . . H 1 H-aliphatic . 'not observed' 3606.792 Hz . . . 1918.60 . . 30093 4
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 4
5 $software_5 . . 30093 4
stop_
save_