Content for NMR-STAR saveframe, "spectral_peak_list_2"
save_spectral_peak_list_2
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_2
_Spectral_peak_list.Entry_ID 15337
_Spectral_peak_list.ID 2
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $sample_1
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
_Spectral_peak_list.Experiment_ID 5
_Spectral_peak_list.Experiment_name '3D 1H-13C NOESY_aromatic'
_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 .
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
?-?-? 6.456 130.312 7.067 910577.000
?-?-? 3.024 137.752 7.992 832071.000
?-?-? 2.914 139.581 7.243 891700.000
?-?-? 2.573 139.606 7.235 936038.000
?-?-? 1.576 139.609 7.235 782583.000
?-?-? 1.209 139.588 7.236 953885.000
?-?-? 0.838 139.641 7.235 518339.000
?-?-? 6.452 127.819 7.079 1016020.000
?-?-? 3.697 127.903 7.079 676674.000
R31HA-W25CD1-W25HD1 4.723 126.15 6.936 464161.000
?-?-? 1.976 120.264 7.474 623257.000
V3HG2-W25CE3-W25HE3 0.904 120.288 7.473 1862276.000
?-?-? 0.911 122.301 7.091 688320.000
?-?-? 1.748 139.597 7.237 1297893.000
L56HG-Y7QCE-Y7QE 2.13 117.662 6.524 1297714.000
V26HG2-Y7QCD-Y7QD 0.829 132.67 6.791 1488348.000
L56HD2-Y7QCE-Y7QE 0.497 117.616 6.525 3686786.000
I60HG12-F39QCD-F39QD 2.108 132.316 7.229 623488.000
?-?-? 2.31 114.575 7.513 424721.000
?-?-? 2.842 119.646 7.209 309010.000
?-?-? 2.441 119.877 7.202 422896.000
?-?-? 3.775 122.236 7.094 357741.000
?-?-? 2.287 124.901 7.271 303542.000
?-?-? 0.893 124.887 7.272 271783.000
?-?-? 3.78 124.653 7.271 538142.000
?-?-? 1.484 124.727 7.272 383457.000
R31QB-W25CH2-W25HH2 1.728 124.499 7.273 530042.000
?-?-? 1.823 124.499 7.275 454731.000
L56HD1-Y7QCD-Y7QD -0.197 132.462 6.787 406573.000
R2HB2-F4CZ-F4HZ 1.776 128.467 6.801 357995.000
?-?-? 2.573 128.375 6.786 578190.000
F4HZ-F4CZ-F4HZ 6.794 128.44 6.789 22880050.000
F4QD-F4CZ-F4HZ 7.367 128.448 6.79 682531.000
F4QE-F4CZ-F4HZ 6.904 128.311 6.788 3332587.000
F4QE-F4CZ-F4HZ 6.884 128.546 6.789 7960718.000
I12HA-F4CZ-F4HZ 3.149 128.551 6.788 871900.000
I12HG12-F4CZ-F4HZ 0.927 128.671 6.79 610647.000
H15HB2-F4CZ-F4HZ 3.524 128.414 6.789 1039549.000
H15HB3-F4CZ-F4HZ 3.301 128.406 6.789 1556663.000
I24HD1-F4CZ-F4HZ 0.734 128.81 6.792 412421.000
R2HG2-F4CZ-F4HZ 1.212 128.587 6.787 690183.000
R2HB2-F4QCD-F4QD 1.777 132.086 7.345 616267.000
I24HG12-F4QCD-F4QD 1.561 131.89 7.349 503877.000
F4H-F4QCD-F4QD 9.708 132.017 7.347 1570572.000
F4HA-F4QCD-F4QD 4.96 132.017 7.348 1614427.000
F4HB2-F4QCD-F4QD 3.228 131.997 7.346 3317607.000
F4HB3-F4QCD-F4QD 3.058 132.03 7.347 2342375.000
F4QD/F19QE/F19HZ-F4QCD/F19QCE/F19QCE-F4QD/F19QE/F19QE 7.346 131.922 7.347 70340544.000
F4QE-F4QCD-F4QD 6.872 131.991 7.347 7094404.000
P5HD2-F4QCD-F4QD 4.24 132.252 7.34 307604.000
P5HD3-F4QCD-F4QD 3.827 132.076 7.344 367366.000
V6HG1-F4QCD-F4QD 0.925 132.18 7.346 1685874.000
L11HB2-F4QCD-F4QD 1.962 132.018 7.347 344852.000
I12HD1-F4QCD-F4QD 0.386 132.066 7.353 390081.000
I24HB-F4QCD-F4QD 2.24 132.049 7.348 1324093.000
I24HD1-F4QCD-F4QD 0.712 132.015 7.348 1005442.000
?-?-? 1.23 132.032 7.347 1172600.000
W25H-F4QCD-F4QD 8.883 132.104 7.346 476089.000
R2HB3-F4QCE-F4QE 1.575 130.891 6.877 653634.000
R2HD2-F4QCE-F4QE 2.57 130.982 6.88 502223.000
F4HZ-F4QCE-F4QE 6.775 130.939 6.88 10918334.000
F4QD-F4QCE-F4QE 7.347 131.001 6.879 6298440.000
F4QE-F4QCE-F4QE 6.876 130.976 6.879 40156920.000
L11HB2-F4QCE-F4QE 1.953 131.032 6.883 964682.000
I12HA-F4QCE-F4QE 3.184 130.912 6.879 583517.000
I12HG12-F4QCE-F4QE 0.971 130.978 6.878 1104047.000
I12HG2-F4QCE-F4QE 0.449 131.048 6.882 478363.000
I24HB-F4QCE-F4QE 2.238 130.977 6.877 1200206.000
I24HD1-F4QCE-F4QE 0.734 130.982 6.879 1390542.000
R2HG2-F4QCE-F4QE 1.203 130.99 6.879 3018070.000
R2HB2-F4QCE-F4QE 1.785 130.939 6.879 2162068.000
Y7H-Y7QCD-Y7QD 9.059 132.446 6.788 587320.000
Y7HA-Y7QCD-Y7QD 4.02 132.532 6.788 4781173.000
Y7HB2-Y7QCD-Y7QD 2.938 132.513 6.787 5227950.000
Y7HB3/D28HB3-Y7QCD/Y7QCD-Y7QD/Y7QD 2.816 132.495 6.787 3777865.000
Y7QD-Y7QCD-Y7QD 6.788 132.65 6.79 95498144.000
Y7QE-Y7QCD-Y7QD 6.523 132.517 6.787 12479768.000
A8H-Y7QCD-Y7QD 5.87 132.443 6.787 1269843.000
P9HD2-Y7QCD-Y7QD 2.295 132.443 6.789 940959.000
I12HD1-Y7QCD-Y7QD 0.376 132.5 6.787 6127508.000
V26HG1-Y7QCD-Y7QD 0.945 132.521 6.787 5098987.000
Y7HA-Y7QCE-Y7QE 4.027 117.586 6.524 602139.000
Y7HB2-Y7QCE-Y7QE 2.94 117.555 6.523 704248.000
Y7HB3/D28HB3-Y7QCE/Y7QCE-Y7QE/Y7QE 2.809 117.658 6.521 572632.000
Y7QD-Y7QCE-Y7QE 6.784 117.623 6.525 11900207.000
Y7QE-Y7QCE-Y7QE 6.522 117.619 6.525 59694036.000
P9HB3-Y7QCE-Y7QE 1.666 117.626 6.523 607025.000
P9HD2-Y7QCE-Y7QE 2.296 117.596 6.523 872986.000
P9HD3-Y7QCE-Y7QE 3.532 117.561 6.524 497452.000
P9HG2-Y7QCE-Y7QE 1.471 117.627 6.524 1213522.000
P9HG3-Y7QCE-Y7QE 1.852 117.617 6.525 984845.000
V26HG1-Y7QCE-Y7QE 0.917 117.614 6.524 1161046.000
L29HD1-Y7QCE-Y7QE 0.38 117.717 6.524 2419149.000
A52HB-Y7QCE-Y7QE 1.159 117.611 6.525 2501496.000
L56HD1-Y7QCE-Y7QE -0.19 117.628 6.526 2690964.000
H15HE1-H15CE1-H15HE1 7.238 139.587 7.238 34215524.000
I18HG2-F19CZ-F19HZ 0.145 129.585 7.346 525097.000
F19QE/F19HZ-F19CZ/F19CZ-F19HZ/F19HZ 7.347 129.644 7.347 50271416.000
F19QD-F19CZ-F19HZ 7.052 129.76 7.348 1953830.000
I18HB-F19QCD-F19QD 1.566 131.617 7.05 613276.000
I18HG2-F19QCD-F19QD 0.147 131.617 7.048 458305.000
F19H-F19QCD-F19QD 8.086 131.462 7.049 599616.000
F19HA-F19QCD-F19QD 4.223 131.613 7.049 641584.000
F19HB3-F19QCD-F19QD 2.559 131.576 7.053 691121.000
F19QD-F19QCD-F19QD 7.052 131.479 7.05 25514126.000
F19QE-F19QCD-F19QD 7.347 131.476 7.049 7765007.000
F19HB2/H15HB3-F19QCD/F19QCD-F19QD/F19QD 3.288 131.576 7.053 873580.000
F19QD-F19QCE-F19QE 7.048 131.569 7.351 4395036.000
V3HA-W25CD1-W25HD1 5.023 126.084 6.932 374686.000
V3HG2-W25CD1-W25HD1 0.9 126.061 6.936 3797820.000
W25HA-W25CD1-W25HD1 5.149 126.205 6.936 632882.000
W25HB2-W25CD1-W25HD1 3.26 126.055 6.936 1836561.000
W25HB3-W25CD1-W25HD1 3.179 126.112 6.938 1779347.000
W25HD1-W25CD1-W25HD1 6.933 126.047 6.936 56779988.000
W25HE1-W25CD1-W25HD1 10.337 126.07 6.935 4816286.000
V26H-W25CD1-W25HD1 8.243 126.075 6.935 640940.000
?-?-? 4.863 125.972 6.938 653819.000
?-?-? 7.995 126.109 6.937 622568.000
?-?-? 3.777 126.023 6.938 737898.000
R31QB-W25CD1-W25HD1 1.704 126.042 6.937 966380.000
?-?-? 2.302 126.04 6.938 543334.000
W25HA-W25CE3-W25HE3 5.14 120.288 7.474 610786.000
W25HB2-W25CE3-W25HE3 3.282 120.29 7.472 1809168.000
W25HB3-W25CE3-W25HE3 3.186 120.359 7.474 1233877.000
W25HE3-W25CE3-W25HE3 7.474 120.281 7.473 29650732.000
W25HH2-W25CE3-W25HE3 7.285 120.239 7.47 778711.000
W25HZ3-W25CE3-W25HE3 7.092 120.283 7.472 3293594.000
R31HA-W25CE3-W25HE3 4.715 120.309 7.474 448894.000
R31QB-W25CE3-W25HE3 1.701 120.318 7.472 1234482.000
W25HH2-W25CH2-W25HH2 7.268 124.738 7.27 35737468.000
W25HZ2-W25CH2-W25HH2 7.504 124.733 7.27 5674078.000
W25HZ3-W25CH2-W25HH2 7.096 124.776 7.27 7213190.000
W25HE1-W25CZ2-W25HZ2 10.338 114.617 7.514 1667819.000
W25HH2-W25CZ2-W25HZ2 7.272 114.601 7.513 5951360.000
W25HZ2-W25CZ2-W25HZ2 7.513 114.595 7.513 43183092.000
W25HZ3-W25CZ2-W25HZ2 7.093 114.583 7.511 678820.000
W25HE3-W25CZ3-W25HZ3 7.481 122.332 7.095 3418056.000
W25HH2-W25CZ3-W25HZ3 7.265 122.245 7.094 6164094.000
W25HZ3-W25CZ3-W25HZ3 7.095 122.274 7.096 25989000.000
W25HB2-W25CZ3-W25HZ3 3.283 122.424 7.09 334554.000
R31QB-W25CZ3-W25HZ3 1.703 122.273 7.095 1427334.000
F19HB2-F34CZ-F34HZ 3.258 127.81 7.079 1040206.000
F19HB3-F34CZ-F34HZ 2.565 127.8 7.08 753069.000
I24HG2-F34CZ-F34HZ 1.205 127.832 7.08 957952.000
F34QD-F34CZ-F34HZ 6.798 127.901 7.078 1274837.000
F34QE/F34HZ-F34CZ/F34CZ-F34HZ/F34HZ 7.071 127.874 7.079 15632761.000
A16HA-F34QCD-F34QD 3.218 132.895 6.797 752281.000
A16HB-F34QCD-F34QD 0.593 132.974 6.8 1477447.000
T21HA-F34QCD-F34QD 4.618 133.007 6.8 1650678.000
G22H-F34QCD-F34QD 7.506 133.01 6.802 873560.000
I24HG2-F34QCD-F34QD 1.213 132.797 6.794 1547487.000
E33HA-F34QCD-F34QD 5.11 132.973 6.8 1493979.000
F34H-F34QCD-F34QD 8.538 132.993 6.8 2018739.000
F34HA-F34QCD-F34QD 5.304 133.014 6.798 760399.000
F34HB2-F34QCD-F34QD 1.81 132.96 6.798 3611794.000
F34HB3-F34QCD-F34QD 1.498 132.966 6.798 3480260.000
F34QE-F34QCD-F34QD 7.065 132.996 6.8 7301700.000
E35H-F34QCD-F34QD 9.176 133.031 6.798 580855.000
E35HA-F34QCD-F34QD 4.842 132.928 6.802 551508.000
G37H-F34QCD-F34QD 10.128 132.967 6.8 584062.000
A16HB-F34QCE-F34QE 0.625 130.249 7.063 586894.000
F19HB2-F34QCE-F34QE 3.236 130.257 7.064 2371903.000
F19HB3-F34QCE-F34QE 2.56 130.266 7.064 1349102.000
L20H-F34QCE-F34QE 8.19 130.265 7.065 1081605.000
L20HA-F34QCE-F34QE 3.936 130.379 7.068 609275.000
T21H-F34QCE-F34QE 9.278 130.193 7.064 706263.000
G22HA3-F34QCE-F34QE 3.702 130.24 7.066 921891.000
V23H-F34QCE-F34QE 8.092 130.332 7.064 810217.000
V23HA-F34QCE-F34QE 5.086 130.218 7.065 641988.000
I24HD1-F34QCE-F34QE 0.722 130.235 7.063 447394.000
I24HG2-F34QCE-F34QE 1.201 130.223 7.065 3098006.000
F34HB2-F34QCE-F34QE 1.817 130.125 7.068 321441.000
F34HB3/I24HG13-F34QCE/F34QCE-F34QE/F34QE 1.485 130.28 7.064 767062.000
F34QD-F34QCE-F34QE 6.798 130.239 7.065 5886039.000
F34QE/F34HZ-F34QCE/F34QCE-F34QE/F34QE 7.065 130.268 7.064 37158560.000
I12HG2-F39CZ-F39HZ 0.461 129.522 6.578 1349497.000
A16HB-F39CZ-F39HZ 0.592 129.5 6.579 726796.000
F39HZ-F39CZ-F39HZ 6.578 129.576 6.578 4978536.000
F39QD-F39CZ-F39HZ 7.224 129.703 6.579 405440.000
F39QE/F34QD-F39CZ/F39CZ-F39HZ/F39HZ 6.801 129.661 6.577 2307486.000
L32HB2-F39QCD-F39QD 1.758 132.317 7.234 1451364.000
L32HB3-F39QCD-F39QD 1.575 132.287 7.231 3126370.000
L32HD2-F39QCD-F39QD 0.691 132.291 7.232 822968.000
F34HA-F39QCD-F39QD 5.329 132.115 7.232 294725.000
F34HB3-F39QCD-F39QD 1.498 132.425 7.231 1380229.000
F39H-F39QCD-F39QD 9.914 132.285 7.234 1972286.000
F39HA-F39QCD-F39QD 4.632 132.29 7.232 1706065.000
F39HZ-F39QCD-F39QD 6.582 132.258 7.231 992447.000
F39QB-F39QCD-F39QD 3.054 132.299 7.234 4798988.000
F39QD-F39QCD-F39QD 7.232 132.293 7.233 28302448.000
F39QE-F39QCD-F39QD 6.802 132.329 7.234 5347293.000
L40H-F39QCD-F39QD 8.754 132.331 7.231 553159.000
I53HA-F39QCD-F39QD 3.263 132.362 7.235 450953.000
I53HD1-F39QCD-F39QD 1.047 132.296 7.228 1114451.000
L56HB3-F39QCD-F39QD 0.875 132.29 7.231 1557547.000
L56HD1-F39QCD-F39QD -0.194 132.334 7.23 726452.000
I60HD1-F39QCD-F39QD 1.237 132.285 7.233 2824573.000
L32HD1-F39QCD-F39QD 0.5 132.34 7.23 1233381.000
V13HA-F39QCE-F39QE 3.598 130.116 6.805 551601.000
A16HB-F39QCE-F39QE 0.597 130.202 6.806 1521476.000
L32HB2-F39QCE-F39QE 1.774 130.179 6.803 954589.000
L32HB3-F39QCE-F39QE 1.549 130.253 6.804 1182394.000
F39HZ-F39QCE-F39QE 6.573 130.016 6.804 2981587.000
F39QD-F39QCE-F39QE 7.231 130.217 6.807 2349360.000
L56HD1-F39QCE-F39QE -0.187 130.136 6.801 496941.000
I60HD1-F39QCE-F39QE 1.236 130.263 6.806 1399602.000
I12HG2/L32HD1-F39QCE/F39QCE-F39QE/F39QE 0.472 130.154 6.804 1695789.000
F39QE/F34QD-F39QCE/F39QCE-F39QE/F39QE 6.8 130.294 6.802 19215356.000
H65HA-H65CD2-H65HD2 4.591 119.953 7.203 535858.000
H65HB2-H65CD2-H65HD2 3.312 119.919 7.207 853932.000
H65HB3-H65CD2-H65HD2 3.209 120.038 7.203 613957.000
H73QB-H73CD2-H73HD2 3.078 119.937 7.085 533344.000
;
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 All . . 9606.147 . . . . . . . 15337 2
2 . . C 13 Aromatic . . 6038.647 . . . . . . . 15337 2
3 . . H 1 Aromatic . . 11160.714 . . . . . . . 15337 2
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 $SPARKY . . 15337 2
stop_
save_