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 30870
_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 C(CO)NH'
_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
;
Accessed via the Ponderosa Web client.
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.
;
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
label dataset sw sf
H1 N15
HSQC-2.nv
4194.63085937 1800.0
599.607971191 60.7649993896
H1.L H1.P H1.W H1.B H1.E H1.J H1.U N15.L N15.P N15.W N15.B N15.E N15.J N15.U vol int stat comment flag0 flag8 flag9
0 {} 8.06063 0.03877 0.02081 ++ {0.0} {} {} 127.50385 0.18765 0.08157 ++ {0.0} {} 0.0 0.0126 0 {} 0 0 0
1 {} 7.74828 0.04331 0.02512 ++ {0.0} {} {} 127.49986 0.17834 0.09576 ++ {0.0} {} 0.0 0.0134 0 {} 0 0 0
2 {} 7.90423 0.03103 0.07438 ++ {0.0} {} {} 127.49216 0.16714 0.47762 ++ {0.0} {} 0.0 0.6298 0 {} 0 0 0
3 {} 8.35531 0.03860 0.05416 ++ {0.0} {} {} 124.15162 0.27503 0.40732 ++ {0.0} {} 0.0 0.0308 0 {} 0 0 0
4 {} 8.72759 0.04292 0.03934 ++ {0.0} {} {} 123.76434 0.26251 0.23524 ++ {0.0} {} 0.0 0.0180 0 {} 0 0 0
5 {} 8.41375 0.04599 0.16876 ++ {0.0} {} {} 123.04209 0.31655 0.88416 ++ {0.0} {} 0.0 0.1654 0 {} 0 0 0
6 {} 8.27362 0.06147 0.00002 ++ {0.0} {} {} 122.93600 0.54339 0.00027 ++ {0.0} {} 0.0 0.0098 0 {} 0 0 0
7 {} 8.23598 0.05877 0.03735 ++ {0.0} {} {} 122.69470 0.29248 0.36777 ++ {0.0} {} 0.0 0.0143 0 {} 0 0 0
8 {} 8.10944 0.05786 0.08266 ++ {0.0} {} {} 122.43008 0.21186 0.02767 ++ {0.0} {} 0.0 0.0100 0 {} 0 0 0
9 {} 7.95395 0.04261 0.16349 ++ {0.0} {} {} 122.48338 0.25664 0.96711 ++ {0.0} {} 0.0 0.2369 0 {} 0 0 0
10 {} 8.65635 0.10957 0.04168 ++ {0.0} {} {} 122.36531 0.52886 0.20341 ++ {0.0} {} 0.0 0.0117 0 {} 0 0 0
11 {} 8.38065 0.04571 0.12775 ++ {0.0} {} {} 121.97588 0.33281 1.14555 ++ {0.0} {} 0.0 0.2507 0 {} 0 0 0
12 {} 8.27815 0.03708 0.05453 ++ {0.0} {} {} 121.96585 0.22152 1.20045 ++ {0.0} {} 0.0 0.4120 0 {} 0 0 0
13 {} 8.12004 0.07891 0.11272 ++ {0.0} {} {} 121.96201 0.22829 0.35851 ++ {0.0} {} 0.0 0.0168 0 {} 0 0 0
14 {} 8.34405 0.03819 0.18787 ++ {0.0} {} {} 121.29369 0.36449 2.67295 ++ {0.0} {} 0.0 0.5624 0 {} 0 0 0
15 {} 8.05847 0.04839 0.24799 ++ {0.0} {} {} 121.35922 0.29667 0.63642 ++ {0.0} {} 0.0 0.2188 0 {} 0 0 0
16 {} 8.47943 0.04730 0.12775 ++ {0.0} {} {} 121.20988 0.31432 1.99732 ++ {0.0} {} 0.0 0.2540 0 {} 0 0 0
17 {} 8.21146 0.04201 0.17079 ++ {0.0} {} {} 121.19164 0.31414 0.89098 ++ {0.0} {} 0.0 0.2715 0 {} 0 0 0
18 {} 4.80472 0.03158 0.01083 ++ {0.0} {} {} 121.16928 0.17885 0.12977 ++ {0.0} {} 0.0 0.0115 0 {} 0 0 0
19 {} 8.38783 0.04404 0.21861 ++ {0.0} {} {} 121.00842 0.23233 0.89098 ++ {0.0} {} 0.0 0.5691 0 {} 0 0 0
20 {} 8.67092 0.03882 0.18971 ++ {0.0} {} {} 120.81464 0.28629 0.83459 ++ {0.0} {} 0.0 0.2812 0 {} 0 0 0
21 {} 8.25889 0.03809 0.19812 ++ {0.0} {} {} 120.80778 0.23940 1.90925 ++ {0.0} {} 0.0 0.5666 0 {} 0 0 0
22 {} 8.06830 0.04861 0.32314 ++ {0.0} {} {} 120.87042 0.34230 0.89098 ++ {0.0} {} 0.0 0.2609 0 {} 0 0 0
23 {} 7.90740 0.04734 0.06763 ++ {0.0} {} {} 120.83730 0.41886 0.59838 ++ {0.0} {} 0.0 0.0206 0 {} 0 0 0
24 {} 7.74708 0.03828 0.21494 ++ {0.0} {} {} 120.80537 0.23300 1.06591 ++ {0.0} {} 0.0 0.2332 0 {} 0 0 0
25 {} 7.59442 0.03972 0.01839 ++ {0.0} {} {} 120.79714 0.48818 0.03729 ++ {0.0} {} 0.0 0.0103 0 {} 0 0 0
26 {} 4.79976 0.03153 0.01547 ++ {0.0} {} {} 120.85519 0.68303 0.28439 ++ {0.0} {} 0.0 0.0115 0 {} 0 0 0
27 {} 8.51807 0.04162 0.23228 ++ {0.0} {} {} 120.66440 0.25424 0.88364 ++ {0.0} {} 0.0 0.3108 0 {} 0 0 0
28 {} 8.14745 0.04033 0.15781 ++ {0.0} {} {} 120.57969 0.50836 2.16382 ++ {0.0} {} 0.0 0.3695 0 {} 0 0 0
29 {} 8.38124 0.04132 0.23911 ++ {0.0} {} {} 120.38049 0.32798 0.89098 ++ {0.0} {} 0.0 0.2364 0 {} 0 0 0
30 {} 7.96730 0.04289 0.33817 ++ {0.0} {} {} 120.29766 0.23232 0.89098 ++ {0.0} {} 0.0 0.4749 0 {} 0 0 0
31 {} 7.80994 0.06838 0.09769 ++ {0.0} {} {} 120.25742 0.44137 0.62935 ++ {0.0} {} 0.0 0.0217 0 {} 0 0 0
32 {} 8.19790 0.03901 0.33817 ++ {0.0} {} {} 120.14133 0.29246 1.14555 ++ {0.0} {} 0.0 0.5296 0 {} 0 0 0
33 {} 8.34057 0.04441 0.21646 ++ {0.0} {} {} 119.88524 0.29215 1.50426 ++ {0.0} {} 0.0 0.2305 0 {} 0 0 0
34 {} 7.68980 0.04228 0.20506 ++ {0.0} {} {} 119.89322 0.26699 1.12707 ++ {0.0} {} 0.0 0.1926 0 {} 0 0 0
35 {} 7.98805 0.04052 0.21793 ++ {0.0} {} {} 119.74573 0.21688 0.63642 ++ {0.0} {} 0.0 0.2726 0 {} 0 0 0
36 {} 8.09872 0.05786 0.08266 ++ {0.0} {} {} 119.65813 0.20575 0.57856 ++ {0.0} {} 0.0 0.0610 0 {} 0 0 0
37 {} 8.29506 0.05505 0.18787 ++ {0.0} {} {} 119.62405 0.36453 0.89098 ++ {0.0} {} 0.0 0.1778 0 {} 0 0 0
38 {} 8.16790 0.03824 0.17284 ++ {0.0} {} {} 119.44823 0.30689 1.14555 ++ {0.0} {} 0.0 0.4499 0 {} 0 0 0
39 {} 7.87425 0.04845 0.26605 ++ {0.0} {} {} 119.46825 0.35149 1.65468 ++ {0.0} {} 0.0 0.2751 0 {} 0 0 0
40 {} 8.26533 0.06240 0.11272 ++ {0.0} {} {} 119.28322 0.56434 1.42685 ++ {0.0} {} 0.0 0.1347 0 {} 0 0 0
41 {} 8.09176 0.04212 0.12775 ++ {0.0} {} {} 119.19824 0.30110 1.23435 ++ {0.0} {} 0.0 0.2647 0 {} 0 0 0
42 {} 8.51189 0.05047 0.07055 ++ {0.0} {} {} 119.07352 0.36282 0.47238 ++ {0.0} {} 0.0 0.0301 0 {} 0 0 0
43 {} 8.31414 0.04137 0.15713 ++ {0.0} {} {} 118.97126 0.29306 0.89098 ++ {0.0} {} 0.0 0.2911 0 {} 0 0 0
44 {} 8.40491 0.03957 0.15781 ++ {0.0} {} {} 118.80324 0.21688 0.70615 ++ {0.0} {} 0.0 0.2266 0 {} 0 0 0
45 {} 7.85679 0.03663 0.20153 ++ {0.0} {} {} 118.51381 0.28633 0.84803 ++ {0.0} {} 0.0 0.2659 0 {} 0 0 0
46 {} 8.14899 0.04323 0.21793 ++ {0.0} {} {} 118.42760 0.30496 1.01379 ++ {0.0} {} 0.0 0.2509 0 {} 0 0 0
47 {} 8.03964 0.04122 0.12679 ++ {0.0} {} {} 118.11190 0.22491 0.74986 ++ {0.0} {} 0.0 0.2001 0 {} 0 0 0
48 {} 7.65460 0.07560 0.19777 ++ {0.0} {} {} 117.91907 0.33436 0.92015 ++ {0.0} {} 0.0 0.1844 0 {} 0 0 0
49 {} 8.50687 0.03876 0.15470 ++ {0.0} {} {} 117.82257 0.28828 0.75590 ++ {0.0} {} 0.0 0.2361 0 {} 0 0 0
50 {} 7.62124 0.04836 0.18952 ++ {0.0} {} {} 117.82745 0.30258 0.78135 ++ {0.0} {} 0.0 0.2409 0 {} 0 0 0
51 {} 8.15975 0.03983 0.11758 ++ {0.0} {} {} 117.29538 0.22619 0.75642 ++ {0.0} {} 0.0 0.1972 0 {} 0 0 0
52 {} 8.39626 0.03569 0.11102 ++ {0.0} {} {} 116.73984 0.21708 0.78466 ++ {0.0} {} 0.0 0.2183 0 {} 0 0 0
53 {} 8.20739 0.04413 0.11684 ++ {0.0} {} {} 115.44968 0.23354 0.68302 ++ {0.0} {} 0.0 0.1474 0 {} 0 0 0
54 {} 7.72069 0.02879 0.11990 ++ {0.0} {} {} 113.64132 0.22994 0.97526 ++ {0.0} {} 0.0 0.4271 0 {} 0 0 0
55 {} 7.64328 0.03072 0.00375 ++ {0.0} {} {} 113.64387 0.22805 0.01060 ++ {0.0} {} 0.0 0.0101 0 {} 0 0 0
56 {} 7.56488 0.05057 0.02346 ++ {0.0} {} {} 113.63391 0.11828 0.10903 ++ {0.0} {} 0.0 0.0125 0 {} 0 0 0
57 {} 7.33476 0.03886 0.02247 ++ {0.0} {} {} 113.64330 0.22484 0.09608 ++ {0.0} {} 0.0 0.0125 0 {} 0 0 0
58 {} 7.10282 0.02271 0.01681 ++ {0.0} {} {} 113.64927 0.24268 0.04031 ++ {0.0} {} 0.0 0.0107 0 {} 0 0 0
59 {} 6.94928 0.03561 0.10364 ++ {0.0} {} {} 113.64254 0.23426 1.24773 ++ {0.0} {} 0.0 0.4524 0 {} 0 0 0
60 {} 6.87114 0.03540 0.03248 ++ {0.0} {} {} 113.63913 0.14740 0.14381 ++ {0.0} {} 0.0 0.0129 0 {} 0 0 0
61 {} 6.79578 0.02343 0.00084 ++ {0.0} {} {} 113.64590 0.21733 0.00179 ++ {0.0} {} 0.0 0.0099 0 {} 0 0 0
62 {} 6.95245 0.03688 0.05071 ++ {0.0} {} {} 113.12427 0.44549 0.63642 ++ {0.0} {} 0.0 0.0301 0 {} 0 0 0
63 {} 7.70365 0.03682 0.05260 ++ {0.0} {} {} 112.36411 0.18208 0.17641 ++ {0.0} {} 0.0 0.0133 0 {} 0 0 0
64 {} 7.56629 0.04167 0.36468 ++ {0.0} {} {} 112.35984 0.29770 0.89098 ++ {0.0} {} 0.0 0.7679 0 {} 0 0 0
65 {} 6.86497 0.05244 0.32109 ++ {0.0} {} {} 112.33802 0.35591 1.14555 ++ {0.0} {} 0.0 0.9496 0 {} 0 0 0
66 {} 7.24854 0.05786 0.08266 ++ {0.0} {} {} 112.31316 0.47822 0.48185 ++ {0.0} {} 0.0 0.0200 0 {} 0 0 0
67 {} 7.04137 0.03628 0.05912 ++ {0.0} {} {} 112.29865 0.28089 1.16447 ++ {0.0} {} 0.0 0.3297 0 {} 0 0 0
68 {} 6.66350 0.03688 0.21201 ++ {0.0} {} {} 112.29916 0.28340 1.26612 ++ {0.0} {} 0.0 0.3401 0 {} 0 0 0
69 {} 6.58291 0.03682 0.05260 ++ {0.0} {} {} 112.27936 0.20146 0.17935 ++ {0.0} {} 0.0 0.0112 0 {} 0 0 0
70 {} 6.50439 0.04684 0.09975 ++ {0.0} {} {} 112.32176 0.41598 0.33870 ++ {0.0} {} 0.0 0.0181 0 {} 0 0 0
71 {} 7.46992 0.03910 0.09769 ++ {0.0} {} {} 112.04077 0.34013 1.14555 ++ {0.0} {} 0.0 0.6293 0 {} 0 0 0
72 {} 7.31192 0.03129 0.07140 ++ {0.0} {} {} 112.05326 0.47832 0.49211 ++ {0.0} {} 0.0 0.0204 0 {} 0 0 0
73 {} 6.74177 0.03644 0.11272 ++ {0.0} {} {} 111.97758 0.20915 1.40012 ++ {0.0} {} 0.0 0.3366 0 {} 0 0 0
74 {} 7.55947 0.04342 0.08266 ++ {0.0} {} {} 111.85032 0.44549 0.63642 ++ {0.0} {} 0.0 0.2971 0 {} 0 0 0
75 {} 6.86719 0.05065 0.11272 ++ {0.0} {} {} 111.84547 0.40499 0.57856 ++ {0.0} {} 0.0 0.4239 0 {} 0 0 0
76 {} 7.62307 0.03244 0.09769 ++ {0.0} {} {} 111.74531 0.19690 1.44957 ++ {0.0} {} 0.0 0.4073 0 {} 0 0 0
77 {} 6.80226 0.03994 0.08266 ++ {0.0} {} {} 111.73741 0.20592 1.14555 ++ {0.0} {} 0.0 0.3627 0 {} 0 0 0
78 {} 7.45094 0.03513 0.15781 ++ {0.0} {} {} 111.37031 0.29170 0.89098 ++ {0.0} {} 0.0 0.3466 0 {} 0 0 0
79 {} 6.85283 0.03888 0.24770 ++ {0.0} {} {} 111.37148 0.41301 0.57856 ++ {0.0} {} 0.0 0.3685 0 {} 0 0 0
80 {} 7.13831 0.05041 0.02233 ++ {0.0} {} {} 111.06985 0.23166 0.08153 ++ {0.0} {} 0.0 0.0119 0 {} 0 0 0
81 {} 6.75594 0.03210 0.13663 ++ {0.0} {} {} 111.08420 0.27814 0.89098 ++ {0.0} {} 0.0 0.4438 0 {} 0 0 0
82 {} 7.75612 0.04090 0.00028 ++ {0.0} {} {} 111.00530 0.31576 0.00168 ++ {0.0} {} 0.0 0.0099 0 {} 0 0 0
83 {} 7.36405 0.03773 0.19025 ++ {0.0} {} {} 111.02717 0.27013 1.64795 ++ {0.0} {} 0.0 0.6619 0 {} 0 0 0
84 {} 7.21087 0.02646 0.04326 ++ {0.0} {} {} 111.02489 0.28414 0.18878 ++ {0.0} {} 0.0 0.0148 0 {} 0 0 0
85 {} 6.98170 0.05524 0.07892 ++ {0.0} {} {} 111.02464 0.34662 0.33747 ++ {0.0} {} 0.0 0.0193 0 {} 0 0 0
86 {} 6.84636 0.03428 0.11272 ++ {0.0} {} {} 110.97202 0.24704 0.63642 ++ {0.0} {} 0.0 0.3543 0 {} 0 0 0
87 {} 6.51700 0.06838 0.09769 ++ {0.0} {} {} 110.99273 0.39158 0.07900 ++ {0.0} {} 0.0 0.0109 0 {} 0 0 0
88 {} 7.85063 0.02928 0.08842 ++ {0.0} {} {} 110.93407 0.27850 1.15635 ++ {0.0} {} 0.0 0.3030 0 {} 0 0 0
89 {} 8.55341 0.06245 0.10405 ++ {0.0} {} {} 110.77051 0.37096 0.59979 ++ {0.0} {} 0.0 0.0439 0 {} 0 0 0
90 {} 6.67267 0.03915 0.14470 ++ {0.0} {} {} 110.79045 0.45461 1.73771 ++ {0.0} {} 0.0 0.3211 0 {} 0 0 0
91 {} 6.77528 0.04111 0.12775 ++ {0.0} {} {} 110.69392 0.30264 0.63642 ++ {0.0} {} 0.0 0.2607 0 {} 0 0 0
92 {} 8.42232 0.06109 0.11162 ++ {0.0} {} {} 109.47095 0.35007 0.61376 ++ {0.0} {} 0.0 0.0466 0 {} 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 HN . . 2404.53930664 Hz . . . 4.78299999237 . . 30870 5
2 . . C 13 C-aliphatic . . 9649.31054687 Hz . . . 46.0750007629 . . 30870 5
3 . . N 15 N . . 1800 Hz . . . 120.15599823 . . 30870 5
stop_
save_