Content for NMR-STAR saveframe, "peak_list_1_2_3_4_5_6_7_8_9_10_11_12_13_14_15_16"
save_peak_list_1_2_3_4_5_6_7_8_9_10_11_12_13_14_15_16
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode peak_list_1_2_3_4_5_6_7_8_9_10_11_12_13_14_15_16
_Spectral_peak_list.Entry_ID 25839
_Spectral_peak_list.ID 16
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $CN1
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $298K
_Spectral_peak_list.Experiment_ID 19
_Spectral_peak_list.Experiment_name 'HBCBCGHD (hbCBcgcdHD)'
_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 'Default list'
_Spectral_peak_list.Text_data_format .
_Spectral_peak_list.Text_data .
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 1H . . 10000.00 Hz . . . . . . 25839 16
2 . . C 13 13C . . 5999.86 Hz . . . . . . 25839 16
stop_
loop_
_Peak.ID
_Peak.Figure_of_merit
_Peak.Restraint
_Peak.Details
_Peak.Entry_ID
_Peak.Spectral_peak_list_ID
1 1.0 . . 25839 16
2 1.0 . . 25839 16
3 1.0 . . 25839 16
4 1.0 . . 25839 16
5 1.0 . . 25839 16
6 1.0 . . 25839 16
7 1.0 . . 25839 16
8 1.0 . . 25839 16
9 1.0 . . 25839 16
10 1.0 . . 25839 16
11 1.0 . . 25839 16
12 1.0 . . 25839 16
13 1.0 . . 25839 16
14 1.0 . . 25839 16
15 1.0 . . 25839 16
16 1.0 . . 25839 16
17 1.0 . . 25839 16
18 1.0 . . 25839 16
19 1.0 . . 25839 16
stop_
loop_
_Peak_general_char.Peak_ID
_Peak_general_char.Intensity_val
_Peak_general_char.Intensity_val_err
_Peak_general_char.Measurement_method
_Peak_general_char.Entry_ID
_Peak_general_char.Spectral_peak_list_ID
1 2389982.75000 . height 25839 16
1 19066989.00000 . volume 25839 16
2 2067956.37500 . height 25839 16
2 15777142.12500 . volume 25839 16
3 2057789.00000 . height 25839 16
3 13920985.81250 . volume 25839 16
4 2252096.00000 . height 25839 16
4 15603654.12500 . volume 25839 16
5 3209943.00000 . height 25839 16
5 21951187.00000 . volume 25839 16
6 2083953.75000 . height 25839 16
6 13065017.18750 . volume 25839 16
7 903981.93750 . height 25839 16
7 5891150.71875 . volume 25839 16
8 550119.75000 . height 25839 16
8 3734731.35938 . volume 25839 16
9 1988516.75000 . height 25839 16
9 14512175.12500 . volume 25839 16
10 436761.87500 . height 25839 16
10 2741441.25000 . volume 25839 16
11 536959.81250 . height 25839 16
11 3452555.71875 . volume 25839 16
12 740457.31250 . height 25839 16
12 6019304.06250 . volume 25839 16
13 3966340.75000 . height 25839 16
13 26574793.62500 . volume 25839 16
14 2198131.00000 . height 25839 16
14 14109043.87500 . volume 25839 16
15 1424552.75000 . height 25839 16
15 10243735.50000 . volume 25839 16
16 1700427.00000 . height 25839 16
16 8506743.92188 . volume 25839 16
17 651426.37500 . height 25839 16
17 4145235.12500 . volume 25839 16
18 1072229.50000 . height 25839 16
18 7303624.40625 . volume 25839 16
19 395852.25000 . height 25839 16
19 3430667.50000 . volume 25839 16
stop_
loop_
_Peak_char.Peak_ID
_Peak_char.Spectral_dim_ID
_Peak_char.Chem_shift_val
_Peak_char.Chem_shift_val_err
_Peak_char.Line_width_val
_Peak_char.Line_width_val_err
_Peak_char.Phase_val
_Peak_char.Phase_val_err
_Peak_char.Decay_rate_val
_Peak_char.Decay_rate_val_err
_Peak_char.Coupling_pattern
_Peak_char.Bounding_box_upper_val
_Peak_char.Bounding_box_lower_val
_Peak_char.Bounding_box_range_val
_Peak_char.Details
_Peak_char.Derivation_method_ID
_Peak_char.Entry_ID
_Peak_char.Spectral_peak_list_ID
1 1 7.109 . 40.5335426331 . . . . . . . . . . 1 25839 16
1 2 41.784 . 180.4714411190 . . . . . . . . . . 1 25839 16
2 1 7.132 . 40.4790043831 . . . . . . . . . . 1 25839 16
2 2 42.304 . 180.5038056860 . . . . . . . . . . 1 25839 16
3 1 6.727 . 38.4992361069 . . . . . . . . . . 1 25839 16
3 2 43.109 . 119.9098263980 . . . . . . . . . . 1 25839 16
4 1 7.220 . 36.1156463623 . . . . . . . . . . 1 25839 16
4 2 40.490 . 132.5416632250 . . . . . . . . . . 1 25839 16
5 1 7.154 . 33.8873267174 . . . . . . . . . . 1 25839 16
5 2 37.358 . 141.4174221910 . . . . . . . . . . 1 25839 16
6 1 6.883 . 30.4713845253 . . . . . . . . . . 1 25839 16
6 2 38.055 . 128.7505386510 . . . . . . . . . . 1 25839 16
8 1 6.612 . 29.8610329628 . . . . . . . . . . 1 25839 16
8 2 39.088 . 120.0940004530 . . . . . . . . . . 1 25839 16
13 1 6.550 . 31.7624211311 . . . . . . . . . . 1 25839 16
13 2 32.000 . 117.7025986960 . . . . . . . . . . 1 25839 16
15 1 6.910 . 25.5584716797 . . . . . . . . . . 1 25839 16
15 2 39.098 . 263.8280819200 . . . . . . . . . . 1 25839 16
16 1 6.912 . 20.5606222153 . . . . . . . . . . 1 25839 16
16 2 29.186 . 102.7644735590 . . . . . . . . . . 1 25839 16
18 1 7.210 . 78.1330466270 . . . . . . . . . . 1 25839 16
18 2 38.567 . 122.5075746200 . . . . . . . . . . 1 25839 16
stop_
loop_
_Assigned_peak_chem_shift.Peak_ID
_Assigned_peak_chem_shift.Spectral_dim_ID
_Assigned_peak_chem_shift.Set_ID
_Assigned_peak_chem_shift.Magnetization_linkage_ID
_Assigned_peak_chem_shift.Assembly_atom_ID
_Assigned_peak_chem_shift.Val
_Assigned_peak_chem_shift.Contribution_fractional_val
_Assigned_peak_chem_shift.Figure_of_merit
_Assigned_peak_chem_shift.Assigned_chem_shift_list_ID
_Assigned_peak_chem_shift.Atom_chem_shift_ID
_Assigned_peak_chem_shift.Entity_assembly_ID
_Assigned_peak_chem_shift.Entity_ID
_Assigned_peak_chem_shift.Comp_index_ID
_Assigned_peak_chem_shift.Comp_ID
_Assigned_peak_chem_shift.Atom_ID
_Assigned_peak_chem_shift.Ambiguity_code
_Assigned_peak_chem_shift.Ambiguity_set_ID
_Assigned_peak_chem_shift.Auth_atom_peak_num
_Assigned_peak_chem_shift.Auth_entity_ID
_Assigned_peak_chem_shift.Auth_seq_ID
_Assigned_peak_chem_shift.Auth_comp_ID
_Assigned_peak_chem_shift.Auth_atom_ID
_Assigned_peak_chem_shift.Auth_ambiguity_code
_Assigned_peak_chem_shift.Auth_ambiguity_set_ID
_Assigned_peak_chem_shift.Auth_amb_atom_grp_ID
_Assigned_peak_chem_shift.Resonance_ID
_Assigned_peak_chem_shift.Details
_Assigned_peak_chem_shift.Entry_ID
_Assigned_peak_chem_shift.Spectral_peak_list_ID
1 1 1 . . 7.109 . . 1 . 1 1 6 PHE QD . . . . . . . . . . 1558 . 25839 16
1 2 1 . . 41.784 . . 1 . 1 1 6 PHE CB . . . . . . . . . . 484 . 25839 16
2 1 1 . . 7.132 . . 1 . 1 1 4 PHE QD . . . . . . . . . . 1543 . 25839 16
2 2 1 . . 42.304 . . 1 . 1 1 4 PHE CB . . . . . . . . . . 406 . 25839 16
3 1 1 . . 6.727 . . 1 . 1 1 99 TYR QD . . . . . . . . . . 1544 . 25839 16
3 2 1 . . 43.109 . . 1 . 1 1 99 TYR CB . . . . . . . . . . 427 . 25839 16
4 1 2 . . 7.220 . . 1 . 1 1 115 TYR QD . . . . . . . . . . 1548 . 25839 16
4 2 1 . . 40.490 . . 1 . 1 1 115 TYR CB . . . . . . . . . . 372 . 25839 16
5 1 2 . . 7.154 . . 1 . 1 1 121 TYR QD . . . . . . . . . . 1552 . 25839 16
5 2 1 . . 37.358 . . 1 . 1 1 121 TYR CB . . . . . . . . . . 409 . 25839 16
6 1 2 . . 6.883 . . 1 . 1 1 139 TYR QD . . . . . . . . . . 1554 . 25839 16
6 2 1 . . 38.055 . . 1 . 1 1 139 TYR CB . . . . . . . . . . 344 . 25839 16
8 1 1 . . 6.612 . . 1 . 1 1 98 PHE QE . . . . . . . . . . 1579 . 25839 16
8 2 1 . . 39.088 . . 1 . 1 1 98 PHE CB . . . . . . . . . . 430 . 25839 16
13 1 1 . . 6.550 . . 1 . 1 1 34 HIS HD2 . . . . . . . . . . 1564 . 25839 16
13 2 1 . . 32.000 . . 1 . 1 1 34 HIS CB . . . . . . . . . . 657 . 25839 16
15 1 1 . . 6.910 . . 1 . 1 1 98 PHE QD . . . . . . . . . . 1578 . 25839 16
15 2 1 . . 39.098 . . 1 . 1 1 98 PHE CB . . . . . . . . . . 430 . 25839 16
16 1 1 . . 6.912 . . 1 . 1 1 15 TRP HD1 . . . . . . . . . . 1566 . 25839 16
16 2 1 . . 29.186 . . 1 . 1 1 15 TRP CB . . . . . . . . . . 617 . 25839 16
18 1 1 . . 7.210 . . 1 . 1 1 125 PHE QD . . . . . . . . . . 1583 . 25839 16
18 2 1 . . 38.567 . . 1 . 1 1 125 PHE CB . . . . . . . . . . 551 . 25839 16
stop_
save_