Content for NMR-STAR saveframe, "spectral_peak_list_14"
save_spectral_peak_list_14
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_14
_Spectral_peak_list.Entry_ID 31080
_Spectral_peak_list.ID 11
_Spectral_peak_list.Name .
_Spectral_peak_list.Sample_ID 7
_Spectral_peak_list.Sample_label $sample_7
_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 1
_Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1
_Spectral_peak_list.Experiment_ID 41
_Spectral_peak_list.Experiment_name '2D CT [13C, 1H] HSQC'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 2
_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 .
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
REMARK File written by CcpNmrFormat converter.
DATA X_AXIS 13C 1 256 82.673ppm 3.087ppm
DATA Y_AXIS 1H 1 1763 5.998ppm -0.001ppm
VARS INDEX X_AXIS Y_AXIS DX DY X_PPM Y_PPM X_HZ Y_HZ XW YW XW_HZ YW_HZ X1 X3 Y1 Y3 HEIGHT DHEIGHT VOL PCHI2 TYPE ASS CLUSTID MEMCNT TROUBLE
FORMAT %5d %9.3f %9.3f %6.3f %6.3f %8.3f %8.3f %9.3f %9.3f %7.3f %7.3f %8.3f %8.3f %4d %4d %4d %4d %13e %13e %13e %.5f %d %s %4d %4d %4d
1 225.428 1523.771 2.000 2.000 12.629 0.813 14157.180 4151.946 3.129 7.327 196.510 19.963 224 226 1522 1524 2.864095e+08 0.000000e+00 2.101242e+09 0.00000 1 648.CD1;648.HD1* 0 0 0
2 210.028 1506.990 2.000 2.000 17.435 0.870 13190.092 4106.220 3.016 6.403 189.424 17.448 209 211 1505 1507 3.502795e+08 0.000000e+00 2.498065e+09 0.00000 1 648.CG2;648.HG2* 0 0 0
3 199.113 1498.459 2.000 2.000 20.841 0.899 12504.610 4082.977 3.027 6.628 190.123 18.060 198 200 1497 1499 3.456279e+08 0.000000e+00 2.474945e+09 0.00000 1 647.CG1;647.HG1* 0 0 0
4 198.307 1513.199 2.000 2.000 21.093 0.849 12453.955 4123.141 3.081 7.234 193.489 19.712 197 199 1512 1514 2.604882e+08 0.000000e+00 1.888854e+09 0.00000 1 647.CG2;647.HG2* 0 0 0
5 178.183 1416.592 2.000 2.000 27.374 1.178 11190.179 3859.906 3.025 12.502 189.992 34.065 177 179 1415 1417 -4.606712e+07 0.000000e+00 -3.397027e+08 0.00000 1 648.CG1;648.HG12 0 0 0
6 178.258 1331.382 2.000 2.000 27.351 1.468 11194.841 3627.729 3.054 11.847 191.791 32.281 177 179 1330 1332 -5.030186e+07 0.000000e+00 -3.719185e+08 0.00000 1 648.CG1;648.HG13 0 0 0
7 177.860 1172.355 2.000 2.000 27.475 2.010 11169.856 3194.414 3.004 12.741 188.672 34.716 176 178 1171 1173 -1.895284e+07 0.000000e+00 -1.395903e+08 0.00000 1 643.CG;643.HG3 0 0 0
8 161.185 1170.770 2.000 2.000 32.679 2.015 10122.672 3190.095 2.989 11.611 187.704 31.638 160 162 1169 1171 4.484638e+07 0.000000e+00 3.288164e+08 0.00000 1 647.CB;647.HB 0 0 0
9 162.965 1195.338 2.000 2.000 32.124 1.932 10234.416 3257.039 2.943 12.882 184.838 35.100 161 163 1194 1196 -9.997638e+06 0.000000e+00 -7.304666e+07 0.00000 1 643.CB;643.HB3 0 0 0
10 143.077 1221.400 2.000 2.000 38.331 1.843 8985.414 3328.050 2.984 11.028 187.405 30.049 142 144 1220 1222 5.412132e+07 0.000000e+00 3.958600e+08 0.00000 1 648.CB;648.HB 0 0 0
11 162.983 1081.674 2.000 2.000 32.118 2.319 10235.569 2947.326 3.013 13.535 189.251 36.881 161 163 1080 1082 -1.199466e+07 0.000000e+00 -8.836126e+07 0.00000 1 643.CB;643.HB2 0 0 0
14 105.413 673.513 2.000 2.000 50.086 3.708 6620.068 1835.177 3.102 13.469 194.807 36.701 104 106 672 674 7.457690e+06 0.000000e+00 5.563843e+07 0.00000 1 643.CD;643.HD3 0 0 0
15 105.385 724.252 2.000 2.000 50.094 3.536 6618.353 1973.430 3.041 13.877 190.991 37.811 104 106 723 725 7.985340e+06 0.000000e+00 5.941296e+07 0.00000 1 643.CD;643.HD2 0 0 0
16 65.020 452.541 2.000 2.000 62.692 4.461 4083.335 1233.076 2.962 9.910 186.013 27.002 64 66 451 453 1.006309e+07 0.000000e+00 7.314709e+07 0.00000 1 643.CA;643.HA 0 0 0
17 69.576 489.554 2.000 2.000 61.270 4.335 4369.484 1333.928 3.117 12.138 195.732 33.073 68 70 488 490 8.470566e+06 0.000000e+00 6.334454e+07 0.00000 1 642.CA;642.HA 0 0 0
18 70.054 550.292 2.000 2.000 61.121 4.128 4399.491 1499.426 3.001 8.859 188.481 24.139 69 71 549 551 7.700134e+07 0.000000e+00 5.598482e+08 0.00000 1 648.CA;648.HA 0 0 0
19 65.133 576.534 2.000 2.000 62.657 4.039 4090.468 1570.931 3.010 8.559 189.053 23.320 64 66 575 577 8.225102e+07 0.000000e+00 5.978548e+08 0.00000 1 647.CA;647.HA 0 0 0
20 171.407 1442.101 2.000 2.000 29.489 1.091 10764.589 3929.414 3.155 22.414 198.113 61.074 170 172 1441 1443 -1.836828e+06 0.000000e+00 -1.369301e+07 0.00000 1 642.CB;642.HB3 0 0 0
37 171.067 1185.385 2.000 2.000 29.595 1.966 10743.264 3229.918 3.501 19.054 219.863 51.919 170 172 1184 1186 -4.151060e+06 0.000000e+00 -3.200169e+07 0.00000 1 642.CB;642.HB2 0 0 0
39 182.757 1491.212 2.000 2.000 25.946 0.924 11477.375 4063.230 2.900 25.428 182.122 69.286 181 183 1490 1492 -1.235206e+06 0.000000e+00 -8.839372e+06 0.00000 1 642.CG;642.HG2 0 0 0
40 182.196 1719.153 2.000 2.000 26.121 0.148 11442.164 4684.320 3.420 10.834 214.771 29.521 181 183 1718 1720 -1.352312e+06 0.000000e+00 -1.012652e+07 0.00000 1 642.CG;642.HG3 0 0 0
41 105.411 681.086 2.000 2.000 50.086 3.683 6619.970 1855.811 3.018 23.794 189.549 64.834 104 106 680 682 3.280271e+06 0.000000e+00 2.482803e+07 0.00000 1 642.CD;642.HD3 0 0 0
42 105.406 725.987 2.000 2.000 50.088 3.530 6619.636 1978.158 3.066 14.448 192.525 39.368 104 106 724 726 7.603652e+06 0.000000e+00 5.679855e+07 0.00000 1 642.CD;642.HD2 0 0 0
;
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 . 'not observed' 14 ppm . . . 4.76 . . 31080 11
2 . . C 13 C . 'not observed' 79.9 ppm . . . 42.7 . . 31080 11
stop_
save_