Content for NMR-STAR saveframe, "peak_list_1_2_3_4_5_6_7"
save_peak_list_1_2_3_4_5_6_7
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode peak_list_1_2_3_4_5_6_7
_Spectral_peak_list.Entry_ID 18037
_Spectral_peak_list.ID 7
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $YkuD_imip_MES
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $condition1
_Spectral_peak_list.Experiment_ID 8
_Spectral_peak_list.Experiment_name '2D 1H-13C HSQC/HMQC'
_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 . . 2400.16625977 . . . . . . . 18037 7
2 . . C 13 13C . . 4523.70019531 . . . . . . . 18037 7
stop_
loop_
_Peak.ID
_Peak.Figure_of_merit
_Peak.Restraint
_Peak.Details
_Peak.Entry_ID
_Peak.Spectral_peak_list_ID
1 1.0 . . 18037 7
2 1.0 . . 18037 7
3 1.0 . . 18037 7
4 1.0 . . 18037 7
5 1.0 . . 18037 7
6 1.0 . . 18037 7
7 1.0 . . 18037 7
8 1.0 . . 18037 7
9 1.0 . . 18037 7
10 1.0 . . 18037 7
11 1.0 . . 18037 7
12 1.0 . . 18037 7
13 1.0 . . 18037 7
14 1.0 . . 18037 7
15 1.0 . . 18037 7
16 1.0 . . 18037 7
17 1.0 . . 18037 7
18 1.0 . . 18037 7
19 1.0 . . 18037 7
20 1.0 . . 18037 7
21 1.0 . . 18037 7
22 1.0 . . 18037 7
23 1.0 . . 18037 7
24 1.0 . . 18037 7
25 1.0 . . 18037 7
26 1.0 . . 18037 7
27 1.0 . . 18037 7
28 1.0 . . 18037 7
29 1.0 . . 18037 7
30 1.0 . . 18037 7
31 1.0 . . 18037 7
32 1.0 . . 18037 7
33 1.0 . . 18037 7
34 1.0 . . 18037 7
35 1.0 . . 18037 7
36 1.0 . . 18037 7
37 1.0 . . 18037 7
38 1.0 . . 18037 7
39 1.0 . . 18037 7
40 1.0 . . 18037 7
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 21825.97070310 . height 18037 7
1 187145.95312500 . volume 18037 7
2 -79226.80468750 . height 18037 7
2 -667207.86718800 . volume 18037 7
3 17856.57812500 . height 18037 7
3 151005.75488300 . volume 18037 7
4 81945.48437500 . height 18037 7
4 702050.25781200 . volume 18037 7
5 48298.75390620 . height 18037 7
5 414782.30859400 . volume 18037 7
6 87100.48437500 . height 18037 7
6 742023.52343800 . volume 18037 7
7 18823.54101560 . height 18037 7
7 158985.88574200 . volume 18037 7
8 55806.16015620 . height 18037 7
8 478657.51953100 . volume 18037 7
9 131964.60937500 . height 18037 7
9 1109116.78906000 . volume 18037 7
10 42493.50781250 . height 18037 7
10 364861.87109400 . volume 18037 7
11 127111.54687500 . height 18037 7
11 1087307.62500000 . volume 18037 7
12 60575.11328120 . height 18037 7
12 524901.37890600 . volume 18037 7
13 215764.68750000 . height 18037 7
13 1849556.82812000 . volume 18037 7
14 162877.10937500 . height 18037 7
14 1362762.42188000 . volume 18037 7
15 192753.67187500 . height 18037 7
15 1658806.00000000 . volume 18037 7
16 90728.91406250 . height 18037 7
16 753040.53906200 . volume 18037 7
17 609648.00000000 . height 18037 7
17 5064847.84375000 . volume 18037 7
18 189400.10937500 . height 18037 7
18 1547825.76562000 . volume 18037 7
19 88979.81250000 . height 18037 7
19 762095.82031200 . volume 18037 7
20 12120.79394530 . height 18037 7
20 103073.63085900 . volume 18037 7
21 88059.82031250 . height 18037 7
21 747053.67968800 . volume 18037 7
22 28913.79492190 . height 18037 7
22 246411.45117200 . volume 18037 7
23 31632.54882810 . height 18037 7
23 281128.12890600 . volume 18037 7
24 66795.74218750 . height 18037 7
24 571314.06640600 . volume 18037 7
25 154334.95312500 . height 18037 7
25 1305537.57812000 . volume 18037 7
26 56126.85156250 . height 18037 7
26 459796.09765600 . volume 18037 7
27 -235308.62500000 . height 18037 7
27 -2024102.03125000 . volume 18037 7
28 350329.56250000 . height 18037 7
28 3141763.75000000 . volume 18037 7
29 33775.62109380 . height 18037 7
29 289917.68750000 . volume 18037 7
30 304588.78125000 . height 18037 7
30 2597987.21875000 . volume 18037 7
31 177710.23437500 . height 18037 7
31 1542060.37500000 . volume 18037 7
32 -971679.18750000 . height 18037 7
32 -8377940.53125000 . volume 18037 7
33 50013.52734380 . height 18037 7
33 444012.44140600 . volume 18037 7
34 35342.56640620 . height 18037 7
34 301354.35937500 . volume 18037 7
35 -14997.80957030 . height 18037 7
35 -127813.46093800 . volume 18037 7
36 323031.21875000 . height 18037 7
36 3183684.43750000 . volume 18037 7
37 -149632.65625000 . height 18037 7
37 -1587581.92188000 . volume 18037 7
38 -1436.51354980 . height 18037 7
38 -14277.22290040 . volume 18037 7
39 6015.79492188 . height 18037 7
39 51417.68505860 . volume 18037 7
40 10242.58789060 . height 18037 7
40 86767.53906250 . volume 18037 7
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 6.635 . 65.9966634530 . . . . . . . . . . 1 18037 7
1 2 119.298 . 66.6900820439 . . . . . . . . . . 1 18037 7
2 1 7.045 . 31.4354088485 . . . . . . . . . . 1 18037 7
2 2 128.572 . 66.7557378116 . . . . . . . . . . 1 18037 7
3 1 7.055 . 34.3275429820 . . . . . . . . . . 1 18037 7
3 2 129.651 . 65.2638554171 . . . . . . . . . . 1 18037 7
4 1 6.929 . 124.7816180240 . . . . . . . . . . 1 18037 7
4 2 131.478 . 71.8702816761 . . . . . . . . . . 1 18037 7
6 1 7.230 . 40.8483112034 . . . . . . . . . . 1 18037 7
6 2 131.997 . 68.8641373028 . . . . . . . . . . 1 18037 7
7 1 7.294 . 35.0445984313 . . . . . . . . . . 1 18037 7
7 2 129.348 . 64.8347336330 . . . . . . . . . . 1 18037 7
8 1 6.782 . 39.4247720744 . . . . . . . . . . 1 18037 7
8 2 131.015 . 77.5517300651 . . . . . . . . . . 1 18037 7
9 1 6.650 . 30.7532779954 . . . . . . . . . . 1 18037 7
9 2 117.629 . 68.0994565742 . . . . . . . . . . 1 18037 7
10 1 6.859 . 39.9395165742 . . . . . . . . . . 1 18037 7
10 2 132.728 . 74.5398559790 . . . . . . . . . . 1 18037 7
11 1 7.123 . 44.6196641818 . . . . . . . . . . 1 18037 7
11 2 134.029 . 67.1074747688 . . . . . . . . . . 1 18037 7
12 1 7.041 . 63.4536494277 . . . . . . . . . . 1 18037 7
12 2 133.670 . 83.0027765914 . . . . . . . . . . 1 18037 7
13 1 6.968 . 56.9533954737 . . . . . . . . . . 1 18037 7
13 2 132.207 . 68.0083204366 . . . . . . . . . . 1 18037 7
14 1 7.350 . 26.4449042881 . . . . . . . . . . 1 18037 7
14 2 133.254 . 72.1578458499 . . . . . . . . . . 1 18037 7
15 1 7.007 . 59.3042298288 . . . . . . . . . . 1 18037 7
15 2 132.308 . 68.2502491333 . . . . . . . . . . 1 18037 7
16 1 6.316 . 28.4863885257 . . . . . . . . . . 1 18037 7
16 2 130.084 . 61.5051638247 . . . . . . . . . . 1 18037 7
17 1 6.868 . 28.7834049119 . . . . . . . . . . 1 18037 7
17 2 118.164 . 64.7322728866 . . . . . . . . . . 1 18037 7
18 1 6.837 . 24.0175504572 . . . . . . . . . . 1 18037 7
18 2 119.875 . 59.0036386275 . . . . . . . . . . 1 18037 7
19 1 6.849 . 47.2626066015 . . . . . . . . . . 1 18037 7
19 2 131.697 . 74.4080725848 . . . . . . . . . . 1 18037 7
20 1 6.823 . 36.6632748090 . . . . . . . . . . 1 18037 7
20 2 129.052 . 70.1477277853 . . . . . . . . . . 1 18037 7
21 1 7.008 . 122.5795435700 . . . . . . . . . . 1 18037 7
21 2 131.489 . 69.0923820971 . . . . . . . . . . 1 18037 7
23 1 7.045 . 68.8054819731 . . . . . . . . . . 1 18037 7
23 2 114.174 . 71.5437554552 . . . . . . . . . . 1 18037 7
24 1 6.519 . 46.6732304419 . . . . . . . . . . 1 18037 7
24 2 117.044 . 63.9109691140 . . . . . . . . . . 1 18037 7
25 1 6.962 . 39.3735493332 . . . . . . . . . . 1 18037 7
25 2 118.792 . 60.5079241651 . . . . . . . . . . 1 18037 7
27 1 6.888 . 45.0427866778 . . . . . . . . . . 1 18037 7
27 2 119.656 . 62.7377935675 . . . . . . . . . . 1 18037 7
28 1 6.846 . 48.6047179331 . . . . . . . . . . 1 18037 7
28 2 118.079 . 65.1102991142 . . . . . . . . . . 1 18037 7
31 1 7.858 . 102.2395216360 . . . . . . . . . . 1 18037 7
31 2 138.028 . 72.6897822744 . . . . . . . . . . 1 18037 7
32 1 7.060 . 25.6162789123 . . . . . . . . . . 1 18037 7
32 2 119.837 . 67.6324512774 . . . . . . . . . . 1 18037 7
33 1 8.085 . 289.1121320240 . . . . . . . . . . 1 18037 7
33 2 137.715 . 79.5261890936 . . . . . . . . . . 1 18037 7
34 1 7.708 . 36.7346342543 . . . . . . . . . . 1 18037 7
34 2 139.774 . 69.3741070195 . . . . . . . . . . 1 18037 7
35 1 6.480 . 88.2682358060 . . . . . . . . . . 1 18037 7
35 2 130.436 . 57.6328216938 . . . . . . . . . . 1 18037 7
36 1 8.243 . 45.7703509696 . . . . . . . . . . 1 18037 7
36 2 136.873 . 62.5086724641 . . . . . . . . . . 1 18037 7
37 1 7.093 . 78.9863478825 . . . . . . . . . . 1 18037 7
37 2 119.840 . 78.6949762883 . . . . . . . . . . 1 18037 7
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 . . 6.635 . . 1 . . . . TRP HE3 . . . . . . . . . . 3078 . 18037 7
1 2 1 . . 119.298 . . 1 . . . . TRP CE3 . . . . . . . . . . 3079 . 18037 7
2 1 1 . . 7.045 . . 1 . . . . TRP HD1 . . . . . . . . . . 3080 . 18037 7
2 2 1 . . 128.572 . . 1 . . . . TRP CD1 . . . . . . . . . . 3081 . 18037 7
3 1 1 . . 7.055 . . 1 . . . . PHE HZ . . . . . . . . . . 3090 . 18037 7
3 2 1 . . 129.651 . . 1 . . . . PHE CZ . . . . . . . . . . 3091 . 18037 7
4 1 1 . . 6.929 . . 1 . . . . . . . . . . . . . . . . 3092 . 18037 7
4 2 1 . . 131.478 . . 1 . . . . . . . . . . . . . . . . 3093 . 18037 7
6 1 1 . . 7.230 . . 1 . . . . PHE QD . . . . . . . . . . 3150 . 18037 7
6 2 1 . . 131.997 . . 1 . . . . PHE CD1 . . . . . . . . . . 3151 . 18037 7
7 1 1 . . 7.294 . . 1 . . . . PHE HZ . . . . . . . . . . 3152 . 18037 7
7 2 1 . . 129.348 . . 1 . . . . PHE CZ . . . . . . . . . . 3153 . 18037 7
8 1 1 . . 6.782 . . 1 . . . . PHE QE . . . . . . . . . . 3154 . 18037 7
8 2 1 . . 131.015 . . 1 . . . . PHE CE1 . . . . . . . . . . 3155 . 18037 7
9 1 1 . . 6.650 . . 1 . . . . TYR QE . . . . . . . . . . 3160 . 18037 7
9 2 1 . . 117.629 . . 1 . . . . TYR CE1 . . . . . . . . . . 3161 . 18037 7
10 1 1 . . 6.859 . . 1 . . . . TYR QD . . . . . . . . . . 3162 . 18037 7
10 2 1 . . 132.728 . . 1 . . . . TYR CD1 . . . . . . . . . . 3163 . 18037 7
11 1 1 . . 7.123 . . 1 . . . . TYR QD . . . . . . . . . . 3167 . 18037 7
11 2 1 . . 134.029 . . 1 . . . . TYR CD1 . . . . . . . . . . 3168 . 18037 7
12 1 1 . . 7.041 . . 1 . . . . TYR QD . . . . . . . . . . 3172 . 18037 7
12 2 1 . . 133.670 . . 1 . . . . TYR CD1 . . . . . . . . . . 3173 . 18037 7
13 1 1 . . 6.968 . . 1 . . . . TYR QD . . . . . . . . . . 3177 . 18037 7
13 2 1 . . 132.207 . . 1 . . . . TYR CD1 . . . . . . . . . . 3178 . 18037 7
14 1 1 . . 7.350 . . 1 . . . . TYR QD . . . . . . . . . . 3182 . 18037 7
14 2 1 . . 133.254 . . 1 . . . . TYR CD1 . . . . . . . . . . 3183 . 18037 7
15 1 1 . . 7.007 . . 1 . . . . TYR QD . . . . . . . . . . 3187 . 18037 7
15 2 1 . . 132.308 . . 1 . . . . TYR CD1 . . . . . . . . . . 3188 . 18037 7
16 1 1 . . 6.316 . . 1 . . . . PHE QD . . . . . . . . . . 3395 . 18037 7
16 2 1 . . 130.084 . . 1 . . . . PHE CD1 . . . . . . . . . . 3396 . 18037 7
17 1 1 . . 6.868 . . 1 . . . . TYR QE . . . . . . . . . . 3388 . 18037 7
17 2 1 . . 118.164 . . 1 . . . . TYR CE1 . . . . . . . . . . 3389 . 18037 7
18 1 1 . . 6.837 . . 1 . . . . TYR QE . . . . . . . . . . 3390 . 18037 7
18 2 1 . . 119.875 . . 1 . . . . TYR CE1 . . . . . . . . . . 3391 . 18037 7
19 1 1 . . 6.849 . . 1 . . . . PHE QD . . . . . . . . . . 3404 . 18037 7
19 2 1 . . 131.697 . . 1 . . . . PHE CD1 . . . . . . . . . . 3405 . 18037 7
20 1 1 . . 6.823 . . 1 . . . . PHE HZ . . . . . . . . . . 3392 . 18037 7
20 2 1 . . 129.052 . . 1 . . . . PHE CZ . . . . . . . . . . 3393 . 18037 7
21 1 1 . . 7.008 . . 1 . . . . PHE QE . . . . . . . . . . 3397 . 18037 7
21 2 1 . . 131.489 . . 1 . . . . PHE CE1 . . . . . . . . . . 3398 . 18037 7
23 1 1 . . 7.045 . . 1 . . . . TRP HZ2 . . . . . . . . . . 3400 . 18037 7
23 2 1 . . 114.174 . . 1 . . . . TRP CZ2 . . . . . . . . . . 3401 . 18037 7
24 1 1 . . 6.519 . . 1 . . . . TYR QE . . . . . . . . . . 3633 . 18037 7
24 2 1 . . 117.044 . . 1 . . . . TYR CE1 . . . . . . . . . . 3634 . 18037 7
25 1 1 . . 6.962 . . 1 . . . . TYR QE . . . . . . . . . . 3402 . 18037 7
25 2 1 . . 118.792 . . 1 . . . . TYR CE1 . . . . . . . . . . 3403 . 18037 7
27 1 1 . . 6.888 . . 1 . . . . HIS HD2 . . . . . . . . . . 3406 . 18037 7
27 2 1 . . 119.656 . . 1 . . . . HIS CD2 . . . . . . . . . . 3399 . 18037 7
28 1 1 . . 6.846 . . 1 . . . . TYR QE . . . . . . . . . . 3385 . 18037 7
28 2 1 . . 118.079 . . 1 . . . . TYR CE1 . . . . . . . . . . 3386 . 18037 7
31 1 2 . . 7.858 . . 1 . . . . HIS HE1 . . . . . . . . . . 3647 . 18037 7
31 2 1 . . 138.028 . . 1 . . . . HIS CE1 . . . . . . . . . . 3408 . 18037 7
32 1 1 . . 7.060 . . 1 . . . . HIS HD2 . . . . . . . . . . 3442 . 18037 7
32 2 1 . . 119.837 . . 1 . . . . HIS CD2 . . . . . . . . . . 3444 . 18037 7
33 1 1 . . 8.085 . . 1 . . . . HIS HE1 . . . . . . . . . . 3440 . 18037 7
33 2 1 . . 137.715 . . 1 . . . . HIS CE1 . . . . . . . . . . 3445 . 18037 7
34 1 1 . . 7.708 . . 1 . . . . HIS HE1 . . . . . . . . . . 3606 . 18037 7
34 2 1 . . 139.774 . . 1 . . . . HIS CE1 . . . . . . . . . . 3607 . 18037 7
35 1 1 . . 6.480 . . 1 . . . . HIS HD2 . . . . . . . . . . 3603 . 18037 7
35 2 1 . . 130.436 . . 1 . . . . HIS CD2 . . . . . . . . . . 3604 . 18037 7
36 1 1 . . 8.243 . . 1 . . . . HIS HE1 . . . . . . . . . . 3640 . 18037 7
36 2 1 . . 136.873 . . 1 . . . . HIS CE1 . . . . . . . . . . 3644 . 18037 7
37 1 1 . . 7.093 . . 1 . . . . HIS HD2 . . . . . . . . . . 3642 . 18037 7
37 2 1 . . 119.840 . . 1 . . . . HIS CD2 . . . . . . . . . . 3645 . 18037 7
stop_
save_