Content for NMR-STAR saveframe, "spectral_peak_list_5"
save_spectral_peak_list_5
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_5
_Spectral_peak_list.Entry_ID 31014
_Spectral_peak_list.ID 5
_Spectral_peak_list.Name .
_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.Chem_shift_reference_ID 1
_Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1
_Spectral_peak_list.Experiment_ID 6
_Spectral_peak_list.Experiment_name '3D 1H-13C NOESY'
_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 1
_Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1
_Spectral_peak_list.Details
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Accessed via the Ponderosa Web client Automatic NOE assignments via CYANA.
Structure calculation and refinement via simulated annealing carried out using X-PLOR NIH.
Lee W, Stark JL, Markley JL. (2014)
PONDEROSA-C/S: Client-server based software package for automated protein 3D structure determination.
Journal of Biomolecular NMR 60(2-3):73-5.
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_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
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NOESYTYPE 1 13C-NOESY
AXISORDER 1 ChH
36.159 2.302 2.302 190773249.57 E26CG E26HG2 E26HG2
43.311 3.216 3.216 172340441.43 R53CD R53HD2 R53HD2
33.878 2.420 2.420 53895804.44 Q29CG Q29HG2 Q29HG2
42.120 2.957 2.957 40992834.23 K52CE K52HE2 K52HE2
33.708 2.479 2.479 37763541.71 Q17CG Q17HG2 Q17HG2
45.177 4.061 4.061 32194778.80 G1CA G1HA2 G1HA2
41.194 2.676 2.676 31114296.63 D3CB D3HB2 D3HB2
33.802 2.551 2.551 30696658.06 Q21CG Q21HG2 Q21HG2
50.646 3.743 3.743 28102589.03 P10CD P10HD2 P10HD2
54.612 4.626 4.626 24019478.00 D55CA D55HA D55HA
45.424 3.981 3.981 17689626.54 G47CA G47HA2 G47HA2
36.069 2.470 2.470 17212298.61 E23CG E23HG2 E23HG2
33.190 1.745 1.745 16274027.33 K52CB K52HB2 K52HB2
32.156 2.291 2.291 14850990.00 P5CB P5HB2 P5HB2
33.674 2.373 2.373 14152622.29 Q32CG Q32HG2 Q32HG2
43.536 3.143 3.143 12519877.90 R41CD R41HD2 R41HD2
32.783 1.900 1.900 10894326.00 K44CB K44HB2 K44HB2
36.634 1.923 1.923 8051228.76 E40CG E40HG2 E40HG2
32.675 1.765 1.765 7320304.73 K31CB K31HB2 K31HB2
41.194 2.594 2.594 6837306.66 D3CB D3HB3 D3HB3
42.954 2.908 2.908 6117230.81 R46CD R46HD2 R46HD2
38.807 2.987 2.987 5082743.70 Y51CB Y51HB2 Y51HB2
36.656 2.396 2.396 4150728.00 E12CG E12HG2 E12HG2
34.638 2.540 2.540 3883731.50 Q30CG Q30HG2 Q30HG2
33.236 2.719 2.719 3590460.23 M19CG M19HG2 M19HG2
62.387 4.162 4.162 3041313.31 V2CA V2HA V2HA
35.945 3.171 3.171 2920166.55 C22CB C22HB2 C22HB2
54.947 4.202 4.202 2786548.90 A11CA A11HA A11HA
63.428 4.426 4.426 2732376.51 P5CA P5HA P5HA
45.088 3.928 3.928 2499290.80 G27CA G27HA3 G27HA3
36.850 3.504 3.504 2374046.68 C18CB C18HB2 C18HB2
42.407 1.685 1.685 2224104.00 D56CB D56HB2 D56HB2
38.650 3.347 3.347 1920473.11 F36CB F36HB2 F36HB2
58.120 4.047 4.047 1656767.59 E23CA E23HA E23HA
56.942 4.088 4.088 1630187.63 R46CA R46HA R46HA
56.660 4.265 4.265 1594640.43 R53CA R53HA R53HA
39.054 3.085 3.085 1485499.62 Y42CB Y42HB2 Y42HB2
60.219 4.149 4.149 1033554.30 R35CA R35HA R35HA
59.824 4.023 4.023 999285.61 R37CA R37HA R37HA
59.468 4.113 4.113 968825.14 R20CA R20HA R20HA
69.775 4.232 4.232 923800.94 T7CB T7HB T7HB
41.187 1.846 1.846 810019.58 L15CB L15HB2 L15HB2
57.121 4.261 4.261 768134.41 E54CA E54HA E54HA
61.472 4.117 4.117 606171.30 S16CA S16HA S16HA
58.531 4.490 4.490 568962.48 S6CA S6HA S6HA
56.231 4.567 4.567 520707.81 H49CA H49HA H49HA
39.054 3.225 3.225 483920.72 Y42CB Y42HB3 Y42HB3
42.407 1.581 1.581 470306.41 D56CB D56HB3 D56HB3
36.850 3.144 3.144 444839.91 C18CB C18HB3 C18HB3
62.041 4.305 4.305 441997.51 T7CA T7HA T7HA
64.748 4.181 4.181 435661.80 P10CA P10HA P10HA
35.350 3.049 3.049 431815.47 C34CB C34HB2 C34HB2
42.245 3.108 3.108 321814.09 R35CD R35HD2 R35HD2
37.464 3.454 3.454 314582.16 C38CB C38HB2 C38HB2
58.003 4.679 4.679 286257.53 M19CA M19HA M19HA
60.933 4.249 4.249 146375.53 C18CA C18HA C18HA
35.350 3.518 3.518 130753.87 C34CB C34HB3 C34HB3
61.019 3.846 3.846 119143.11 K31CA K31HA K31HA
58.087 4.604 4.604 104705.94 H14CA H14HA H14HA
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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' 6303.663 Hz . . . 4.788 . . 31014 5
2 . . H 1 H . 'not observed' 6595.218 Hz . . . 4.788 . . 31014 5
3 . . C 13 C . aliased 3618.763 Hz . . . 67.147 . . 31014 5
stop_
save_