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 31057
_Spectral_peak_list.ID 2
_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 10
_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 .
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
label dataset sw sf
HN C13 N15
AbdA_cconh.nv
2580.9921875 10500.0 1300.01000977
599.664978027 150.792007446 60.7700004578
HN.L HN.P HN.W HN.B HN.E HN.J HN.U C13.L C13.P C13.W C13.B C13.E C13.J C13.U N15.L N15.P N15.W N15.B N15.E N15.J N15.U vol int stat comment flag0
0 {} 7.79686 0.02682 0.04849 ++ {0.0} {} {} 56.63702 0.72440 1.22372 ++ {0.0} {} {} 128.34036 0.32663 0.62614 ++ {0.0} {} 0.0 0.3229 0 {} 0
1 {} 7.79695 0.02610 0.04993 ++ {0.0} {} {61.CG} 36.39878 0.65811 1.24597 ++ {0.0} {} {} 128.33949 0.32109 0.63231 ++ {0.0} {} 0.0 0.8732 0 {} 0
2 {} 8.25389 0.02580 0.04129 ++ {0.0} {} {60.CG} 24.81302 0.66347 1.11750 ++ {0.0} {} {} 122.00698 0.28725 0.50361 ++ {0.0} {} 0.0 0.2655 0 {} 0
3 {} 8.25474 0.02019 0.04110 ++ {0.0} {} {60.CD} 29.06536 0.50549 0.89653 ++ {0.0} {} {} 122.00153 0.27757 0.50157 ++ {0.0} {} 0.0 0.3396 0 {} 0
4 {} 8.25433 0.02579 0.03102 ++ {0.0} {} {60.CE} 42.11049 0.61467 0.78423 ++ {0.0} {} {} 122.00231 0.28668 0.38336 ++ {0.0} {} 0.0 0.0989 0 {} 0
5 {} 8.19237 0.02432 0.05392 ++ {0.0} {} {} 29.16859 0.74736 1.32749 ++ {0.0} {} {} 121.67403 0.29776 0.57727 ++ {0.0} {} 0.0 0.4379 -1 {} 0
6 {} 8.19237 0.02432 0.05392 ++ {0.0} {} {} 29.16859 0.74736 1.32749 ++ {0.0} {} {} 121.67403 0.29776 0.57727 ++ {0.0} {} 0.0 0.4379 -1 {} 0
7 {} 8.16955 0.02186 0.03558 ++ {0.0} {} {49.CD1} 13.01149 0.57501 0.84912 ++ {0.0} {} {} 122.33564 0.28628 0.44046 ++ {0.0} {} 0.0 0.0581 0 {} 0
8 {} 8.16349 0.01818 0.03236 ++ {0.0} {} {49.CG1} 29.15412 0.56390 0.87523 ++ {0.0} {} {} 122.34458 0.29549 0.50770 ++ {0.0} {} 0.0 0.0952 0 {} 0
9 {} 8.16878 0.01818 0.03236 ++ {0.0} {} {49.CG2} 17.39501 0.56390 0.87523 ++ {0.0} {} {} 122.34458 0.29549 0.50770 ++ {0.0} {} 0.0 0.0952 0 {} 0
10 {} 7.37135 0.02649 0.06279 ++ {0.0} {} {56.CG} 32.12759 0.69625 1.23735 ++ {0.0} {} {} 118.32940 0.29939 0.58722 ++ {0.0} {} 0.0 0.4448 0 {} 0
11 {} 8.17018 0.02994 0.03745 ++ {0.0} {} {9.CG2} 21.46172 0.57309 0.73084 ++ {0.0} {} {} 120.67594 0.30539 0.41249 ++ {0.0} {} 0.0 0.1577 0 {} 0
12 {} 9.09988 0.01185 0.01693 ++ {0.0} {} {11.CG2} 21.73396 0.59083 0.61706 ++ {0.0} {} {} 123.31377 0.28666 0.30244 ++ {0.0} {} 0.0 0.0145 0 {} 0
13 {} 9.09393 0.02920 0.05400 ++ {0.0} {} {} 71.25449 0.69372 0.91359 ++ {0.0} {} {} 123.33315 0.29615 0.43279 ++ {0.0} {} 0.0 0.0255 0 {} 0
14 {} 8.24097 0.02621 0.05146 ++ {0.0} {} {15.CG2} 22.26279 0.57673 1.09746 ++ {0.0} {} {} 121.01159 0.29390 0.55791 ++ {0.0} {} 0.0 0.1350 0 {} 0
15 {} 9.14664 0.02136 0.03170 ++ {0.0} {} {43.CG2} 21.96252 0.69632 1.01171 ++ {0.0} {} {} 120.63745 0.36272 0.60909 ++ {0.0} {} 0.0 0.0428 0 {} 0
16 {} 9.06321 0.02594 0.05202 ++ {0.0} {} {21.CG} 35.75829 0.68438 1.21693 ++ {0.0} {} {} 121.33890 0.29625 0.56827 ++ {0.0} {} 0.0 0.1678 0 {} 0
17 {} 8.86413 0.02418 0.05028 ++ {0.0} {} {29.CG2} 22.08174 0.60724 1.03283 ++ {0.0} {} {} 122.68420 0.28702 0.51059 ++ {0.0} {} 0.0 0.0621 0 {} 0
18 {} 8.67616 0.02667 0.06028 ++ {0.0} {} {35.CG} 36.43515 0.68460 1.24147 ++ {0.0} {} {} 120.68107 0.30963 0.60548 ++ {0.0} {} 0.0 0.3085 0 {} 0
19 {} 8.35103 0.02550 0.06085 ++ {0.0} {} {44.CG} 37.98863 0.70313 1.26756 ++ {0.0} {} {} 118.67467 0.31355 0.61277 ++ {0.0} {} 0.0 0.3004 0 {} 0
20 {} 8.56419 0.01455 0.02151 ++ {0.0} {} {47.CD1} 13.13661 0.65502 1.03865 ++ {0.0} {} {} 121.66431 0.31347 0.51818 ++ {0.0} {} 0.0 0.0396 0 {} 0
21 {} 8.56632 0.02165 0.04271 ++ {0.0} {} {47.CG2} 19.16810 0.66303 1.13954 ++ {0.0} {} {} 121.64828 0.30974 0.57103 ++ {0.0} {} 0.0 0.0878 0 {} 0
22 {} 8.57258 0.01961 0.02954 ++ {0.0} {} {47.CG1} 28.29028 0.56582 0.85375 ++ {0.0} {} {} 121.64825 0.27133 0.45189 ++ {0.0} {} 0.0 0.0410 0 {} 0
23 {} 8.59887 0.02144 0.04850 ++ {0.0} {} {48.CG} 25.31160 0.80568 1.20565 ++ {0.0} {} {} 119.49397 0.31898 0.53559 ++ {0.0} {} 0.0 0.0428 0 {} 0
24 {} 8.60297 0.02293 0.04364 ++ {0.0} {} {48.CD} 29.96939 0.85844 1.25428 ++ {0.0} {} {} 119.57227 0.33981 0.59371 ++ {0.0} {} 0.0 0.0543 0 {} 0
25 {} 8.61254 0.01100 0.01529 ++ {0.0} {} {} 41.84232 0.78565 1.05587 ++ {0.0} {} {} 119.62868 0.24661 0.32292 ++ {0.0} {} 0.0 0.0199 -1 {} 0
26 {} 7.89246 0.01958 0.03024 ++ {0.0} {} {58.CG} 27.12238 0.69697 0.89975 ++ {0.0} {} {} 119.74342 0.35283 0.53356 ++ {0.0} {} 0.0 0.0282 0 {} 0
27 {} 7.90727 0.03090 0.06234 ++ {0.0} {} {20.CG} 24.94850 0.83507 1.23952 ++ {0.0} {} {} 119.97836 0.33119 0.62864 ++ {0.0} {} 0.0 0.1348 0 {} 0
28 {} 8.09951 0.02554 0.04986 ++ {0.0} {} {59.CG} 24.82381 0.71517 1.23466 ++ {0.0} {} {} 121.00864 0.29420 0.56434 ++ {0.0} {} 0.0 0.1680 0 {} 0
29 {} 8.09924 0.02506 0.05275 ++ {0.0} {} {59.CD} 29.16532 0.65944 1.09871 ++ {0.0} {} {} 121.00825 0.29091 0.56339 ++ {0.0} {} 0.0 0.2168 0 {} 0
30 {} 8.10137 0.02055 0.04175 ++ {0.0} {} {59.CE} 42.25655 0.63384 1.08497 ++ {0.0} {} {} 121.00610 0.27541 0.49778 ++ {0.0} {} 0.0 0.0713 0 {} 0
31 {} 7.49964 0.02178 0.03741 ++ {0.0} {} {55.CD} 43.40014 0.67070 1.18685 ++ {0.0} {} {} 117.99834 0.30952 0.55387 ++ {0.0} {} 0.0 0.0652 0 {} 0
32 {} 8.37885 0.02375 0.04304 ++ {0.0} {} {36.CG1} 28.53004 0.71162 1.29344 ++ {0.0} {} {} 124.33295 0.30868 0.55613 ++ {0.0} {} 0.0 0.0692 0 {} 0
33 {} 8.37716 0.02336 0.04795 ++ {0.0} {} {36.CG2} 18.05020 0.61372 1.16743 ++ {0.0} {} {} 124.34435 0.29367 0.55252 ++ {0.0} {} 0.0 0.1158 0 {} 0
34 {} 8.37621 0.02037 0.03569 ++ {0.0} {} {36.CD1} 14.34950 0.65809 1.16734 ++ {0.0} {} {} 124.33324 0.29255 0.52935 ++ {0.0} {} 0.0 0.0721 0 {} 0
35 {} 7.79532 0.02238 0.04879 ++ {0.0} {} {34.CD1} 13.68081 0.76112 1.20335 ++ {0.0} {} {} 120.34636 0.29615 0.52104 ++ {0.0} {} 0.0 0.0571 0 {} 0
36 {} 7.79367 0.02225 0.05194 ++ {0.0} {} {34.CG2} 17.21091 0.74898 1.29550 ++ {0.0} {} {} 120.34429 0.29162 0.54445 ++ {0.0} {} 0.0 0.1033 0 {} 0
37 {} 7.98311 0.01993 0.04035 ++ {0.0} {} {33.CG} 28.67757 0.57561 0.90484 ++ {0.0} {} {} 118.28104 0.30190 0.55094 ++ {0.0} {} 0.0 0.0784 0 {} 0
38 {} 7.99096 0.01351 0.02069 ++ {0.0} {} {33.CD} 43.84656 0.49358 0.76947 ++ {0.0} {} {} 118.31286 0.27679 0.45032 ++ {0.0} {} 0.0 0.0368 0 {} 0
39 {} 8.48486 0.02082 0.04493 ++ {0.0} {} {32.CG} 26.73027 0.55360 0.97385 ++ {0.0} {} {} 119.33339 0.29609 0.56204 ++ {0.0} {} 0.0 0.1348 0 {} 0
40 {} 8.48558 0.02812 0.04558 ++ {0.0} {} {32.CD} 42.89079 0.74015 1.37338 ++ {0.0} {} {} 119.33954 0.29962 0.53673 ++ {0.0} {} 0.0 0.0658 0 {} 0
41 {} 7.71377 0.02755 0.04198 ++ {0.0} {} {31.CG} 26.93701 0.71507 1.14761 ++ {0.0} {} {} 119.21809 0.34610 0.64208 ++ {0.0} {} 0.0 0.0948 0 {} 0
42 {} 7.71262 0.02254 0.04320 ++ {0.0} {} {31.CD} 43.29105 0.85804 1.31281 ++ {0.0} {} {} 119.20346 0.29918 0.53483 ++ {0.0} {} 0.0 0.0647 0 {} 0
43 {} 8.33709 0.02286 0.05430 ++ {0.0} {} {30.CG} 27.71705 0.55383 0.99918 ++ {0.0} {} {} 115.99089 0.28569 0.55317 ++ {0.0} {} 0.0 0.2154 0 {} 0
44 {} 8.33687 0.02537 0.05091 ++ {0.0} {} {30.CD} 43.37770 0.70262 1.26183 ++ {0.0} {} {} 115.98977 0.29669 0.56365 ++ {0.0} {} 0.0 0.1371 0 {} 0
45 {} 7.64997 0.02296 0.04296 ++ {0.0} {} {28.CD2} 23.85350 0.65813 0.98688 ++ {0.0} {} {} 111.70038 0.29150 0.48450 ++ {0.0} {} 0.0 0.0406 0 {} 0
46 {} 7.64798 0.01989 0.04088 ++ {0.0} {} {28.CD1} 26.67023 0.58256 0.90470 ++ {0.0} {} {} 111.92205 0.30141 0.52383 ++ {0.0} {} 0.0 0.0524 0 {} 0
47 {} 7.89427 0.02620 0.04753 ++ {0.0} {} {20.CE} 42.27497 0.75630 1.27567 ++ {0.0} {} {} 119.76278 0.34441 0.65573 ++ {0.0} {} 0.0 0.1429 0 {} 0
48 {} 7.79661 0.02456 0.04618 ++ {0.0} {} {34.CG1} 29.47018 0.61401 1.14219 ++ {0.0} {} {} 120.34792 0.32399 0.62466 ++ {0.0} {} 0.0 0.1907 0 {} 0
49 {} 8.19354 0.02645 0.05094 ++ {0.0} {} {17.CG} 36.10984 0.69504 1.23184 ++ {0.0} {} {} 123.36077 0.33050 0.63632 ++ {0.0} {} 0.0 0.1638 0 {} 0
50 {} 8.42337 0.02543 0.05468 ++ {0.0} {} {12.CG} 27.19876 0.66961 1.16539 ++ {0.0} {} {} 118.01569 0.32318 0.61987 ++ {0.0} {} 0.0 0.1677 0 {} 0
51 {} 8.42325 0.02855 0.05151 ++ {0.0} {} {12.CD} 43.30805 0.85881 1.56069 ++ {0.0} {} {} 118.01758 0.32623 0.60578 ++ {0.0} {} 0.0 0.0961 0 {} 0
52 {} 7.50136 0.01952 0.03803 ++ {0.0} {} {57.CD} 29.08601 0.57140 0.92517 ++ {0.0} {} {} 119.69405 0.31011 0.55971 ++ {0.0} {} 0.0 0.1374 0 {} 0
53 {} 7.50361 0.02482 0.03972 ++ {0.0} {} {57.CG} 24.87684 0.85469 1.26002 ++ {0.0} {} {} 119.69941 0.34226 0.58710 ++ {0.0} {} 0.0 0.0942 0 {} 0
54 {} 7.50121 0.01667 0.02245 ++ {0.0} {} {57.CE} 42.06428 0.92178 1.13013 ++ {0.0} {} {} 119.72366 0.32247 0.44667 ++ {0.0} {} 0.0 0.0436 0 {} 0
55 {} 7.97119 0.02447 0.03730 ++ {0.0} {} {} 23.54086 0.67568 0.97277 ++ {0.0} {} {} 117.67496 0.30443 0.48343 ++ {0.0} {} 0.0 0.0651 -1 {} 0
56 {} 7.97234 0.02213 0.02759 ++ {0.0} {} {54.CD} 40.60413 0.58046 0.75041 ++ {0.0} {} {} 117.64927 0.27528 0.36529 ++ {0.0} {} 0.0 0.0399 0 {} 0
57 {} 7.97119 0.02447 0.03730 ++ {0.0} {} {54.CG} 23.54086 0.67568 0.97277 ++ {0.0} {} {} 117.67496 0.30443 0.48343 ++ {0.0} {} 0.0 0.0651 0 {} 0
58 {} 8.57054 0.01734 0.03368 ++ {0.0} {} {7.CG} 27.20839 0.56167 0.78838 ++ {0.0} {} {} 122.41434 0.31314 0.51167 ++ {0.0} {} 0.0 0.0733 0 {} 0
59 {} 8.56310 0.02135 0.04241 ++ {0.0} {} {7.CD} 43.40549 0.66983 0.98626 ++ {0.0} {} {} 122.39802 0.31667 0.48783 ++ {0.0} {} 0.0 0.0584 0 {} 0
60 {} 8.47421 0.02607 0.07665 ++ {0.0} {} {5.CG} 27.22425 0.64273 0.99436 ++ {0.0} {} {} 110.36012 0.32380 0.56495 ++ {0.0} {} 0.0 0.1051 0 {} 0
61 {} 8.47283 0.02839 0.05201 ++ {0.0} {} {5.CD} 43.43267 0.80478 1.11163 ++ {0.0} {} {} 110.37379 0.33167 0.50508 ++ {0.0} {} 0.0 0.0562 0 {} 0
62 {} 8.50884 0.02799 0.05958 ++ {0.0} {} {4.CG} 27.26584 0.68898 1.06259 ++ {0.0} {} {} 123.40803 0.45443 0.95773 ++ {0.0} {} 0.0 0.1156 0 {} 0
63 {} 8.49975 0.03245 0.06012 ++ {0.0} {} {4.CD} 43.31580 0.69488 1.09271 ++ {0.0} {} {} 123.41243 0.47474 0.87724 ++ {0.0} {} 0.0 0.0732 0 {} 0
64 {} 8.19602 0.02533 0.04416 ++ {0.0} {} {18.CD2} 23.02956 0.64033 1.03190 ++ {0.0} {} {} 119.01376 0.30879 0.55140 ++ {0.0} {} 0.0 0.1251 0 {} 0
65 {} 7.90759 0.02350 0.04408 ++ {0.0} {} {20.CD} 29.84078 0.76041 1.13799 ++ {0.0} {} {} 119.99846 0.31321 0.55171 ++ {0.0} {} 0.0 0.1124 0 {} 0
66 {} 8.62263 0.01603 0.02063 ++ {0.0} {} {3.CG} 26.97502 0.61079 0.76750 ++ {0.0} {} {} 123.69588 0.28191 0.38637 ++ {0.0} {} 0.0 0.0341 0 {} 0
67 {} 8.19724 0.01656 0.01694 ++ {0.0} {} {18.CG} 25.94580 0.60118 0.61777 ++ {0.0} {} {} 119.02877 0.33485 0.34655 ++ {0.0} {} 0.0 0.0222 0 {} 0
68 {} 8.60098 0.01100 0.01285 ++ {0.0} {} {48.CE} 42.14660 0.78565 0.88191 ++ {0.0} {} {} 119.62868 0.24661 0.28035 ++ {0.0} {} 0.0 0.0199 0 {} 0
69 {} 7.74293 0.02540 0.05217 ++ {0.0} {} {16.CD2} 23.51507 0.60091 0.84848 ++ {0.0} {} {} 118.98834 0.31567 0.54782 ++ {0.0} {} 0.0 0.0649 0 {} 0
70 {} 7.74402 0.02505 0.05088 ++ {0.0} {} {16.CD1} 25.19625 0.79094 1.13469 ++ {0.0} {} {} 118.97569 0.31312 0.55525 ++ {0.0} {} 0.0 0.0757 0 {} 0
71 {} 7.74361 0.01975 0.02821 ++ {0.0} {} {16.CG} 27.06947 0.59520 0.80608 ++ {0.0} {} {} 118.97591 0.30534 0.48372 ++ {0.0} {} 0.0 0.0413 0 {} 0
72 {} 8.02177 0.03054 0.04604 ++ {0.0} {} {40.CD2} 22.98232 0.74615 1.06473 ++ {0.0} {} {} 117.35348 0.30142 0.49866 ++ {0.0} {} 0.0 0.0621 0 {} 0
73 {} 8.02036 0.01730 0.03339 ++ {0.0} {} {40.CD1} 26.31748 0.63905 1.02044 ++ {0.0} {} {} 117.34682 0.33303 0.58741 ++ {0.0} {} 0.0 0.0909 0 {} 0
74 {} 8.61998 0.01185 0.01693 ++ {0.0} {} {3.CD} 43.35763 0.68032 0.67514 ++ {0.0} {} {} 123.72621 0.27642 0.27323 ++ {0.0} {} 0.0 0.0170 0 {} 0
75 {} 8.77275 0.02809 0.03347 ++ {0.0} {} {42.CD2} 23.75177 0.62359 0.82758 ++ {0.0} {} {} 109.31553 0.31141 0.43747 ++ {0.0} {} 0.0 0.0451 0 {} 0
76 {} 8.76759 0.02878 0.04826 ++ {0.0} {} {42.CD1} 26.98817 0.79015 1.17729 ++ {0.0} {} {} 130.70782 0.31201 0.51386 ++ {0.0} {} 0.0 0.0760 0 {} 0
77 {} 7.99999 0.02039 0.04843 ++ {0.0} {} {45.CD} 43.39365 0.68739 1.18652 ++ {0.0} {} {} 117.33076 0.28821 0.52467 ++ {0.0} {} 0.0 0.1494 0 {} 0
78 {} 8.00156 0.02467 0.04449 ++ {0.0} {} {45.CG} 27.52401 0.66769 1.07593 ++ {0.0} {} {} 117.32970 0.28978 0.54050 ++ {0.0} {} 0.0 0.1990 0 {} 0
79 {} 7.49605 0.02139 0.04777 ++ {0.0} {} {55.CG} 31.07244 0.84389 1.47227 ++ {0.0} {} {} 118.01773 0.32163 0.59936 ++ {0.0} {} 0.0 0.0805 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 . 'not observed' 6300 Hz . . . 4.777 . . 31057 2
2 . . C 13 C-aliphatic . 'not observed' 10500 Hz . . . 46.000 . . 31057 2
3 . . N 15 N . 'not observed' 1300 Hz . . . 119.001 . . 31057 2
stop_
save_