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 52649
_Spectral_peak_list.ID 5
_Spectral_peak_list.Name HN(COCA)NH
_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 5
_Spectral_peak_list.Experiment_name '5D HN(CA)CONH'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 4
_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 '4D HN(COCA)NH'
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
# Number of dimensions 4
#FORMAT xeasy4D H
#INAME 1 HN
#INAME 2 N
#INAME 3 N
#INAME 4 HN
#SPECTRUM HNcocaNH H1 N1 N2 H2
1 8.233975762 107.6543642 123.5747093 8.128985559 1 U 127681760 1 e 0 0 0 0 0 0
2 8.248 119.9850001 114.2416936 8.234359708 1 U 52670604 1 e 0 0 0 0 0 0
3 8.219 113.6789999 116.4311582 8.206199634 1 U 46263788 1 e 0 0 0 0 0 0
4 7.422227211 116.582268 107.8009963 9.200019371 1 U 26180056 1 e 0 0 0 0 0 0
5 8.285122889 125.16726 120.1111342 8.520999978 1 U 67151944 1 e 0 0 0 0 0 0
6 8.091086523 121.3993728 124.6157113 8.495725249 1 U 74276744 1 e 0 0 0 0 0 0
7 8.517257156 121.7001983 110.2999052 8.495246404 1 U 25301538 1 e 0 0 0 0 0 0
8 8.507014578 122.8509528 110.4042174 8.4856549 1 U 27091300 1 e 0 0 0 0 0 0
9 8.265151478 125.1515351 125.6025011 8.463352623 1 U 90584528 1 e 0 0 0 0 0 0
10 8.45066794 116.191907 123.164328 8.467205969 1 U 49002016 1 e 0 0 0 0 0 0
11 8.397665511 122.3106113 110.0484283 8.460070728 1 U 38446888 1 e 0 0 0 0 0 0
12 8.331231128 122.7219226 123.9187999 8.448157579 1 U 49435544 1 e 0 0 0 0 0 0
13 8.374194265 125.1228229 123.7751348 8.443137688 1 U 114346664 1 e 0 0 0 0 0 0
14 8.464227591 120.6004797 121.602645 8.446591847 1 U 98641184 1 e 0 0 0 0 0 0
15 8.334078466 123.0456792 127.4226544 8.419704404 1 U 86358120 1 e 0 0 0 0 0 0
16 8.470356665 116.1823274 125.9891766 8.421116244 1 U 126867560 1 e 0 0 0 0 0 0
17 8.090558602 119.7352941 125.5715292 8.42637887 1 U 147990656 1 e 0 0 0 0 0 0
18 8.437335434 121.5705286 121.8009205 8.42495664 1 U 99185480 1 e 0 0 0 0 0 0
19 8.293320538 120.1763563 125.5464142 8.416137311 1 U 74420280 1 e 0 0 0 0 0 0
20 8.346123278 122.4388123 125.3647514 8.399779035 1 U 80967304 1 e 0 0 0 0 0 0
21 8.227364141 114.7935001 123.7619041 8.406378963 1 U 121135848 1 e 0 0 0 0 0 0
22 8.073511072 112.8759802 123.0127434 8.40282994 1 U 134607104 1 e 0 0 0 0 0 0
23 8.532721292 120.5474526 122.3374062 8.404328513 1 U 61210924 1 e 0 0 0 0 0 0
24 8.394132351 125.3524774 120.2180218 8.41213745 1 U 140104736 1 e 0 0 0 0 0 0
25 8.234151319 115.3776765 110.7915124 8.401721971 1 U 29686790 1 e 0 0 0 0 0 0
26 8.419375467 116.4277339 126.4380167 8.381439125 1 U 54399800 1 e 0 0 0 0 0 0
27 8.089709484 119.5411053 125.1497688 8.384185556 1 U 142131968 1 e 0 0 0 0 0 0
28 8.325035984 121.4139259 124.4100062 8.390633097 1 U 129480808 1 e 0 0 0 0 0 0
29 8.202477134 116.3832402 123.6095597 8.392979889 1 U 180628432 1 e 0 0 0 0 0 0
30 8.190441474 123.790434 119.9706382 8.390595603 1 U 79742144 1 e 0 0 0 0 0 0
31 8.465115642 121.9406429 126.9153561 8.374698253 1 U 110925040 1 e 0 0 0 0 0 0
32 8.269891399 116.7068036 123.020567 8.373650667 1 U 53386404 1 e 0 0 0 0 0 0
33 8.321012988 120.7689345 121.4340952 8.361205066 1 U 136696320 1 e 0 0 0 0 0 0
34 8.507376083 120.0890168 116.5246423 8.364417543 1 U 66741600 1 e 0 0 0 0 0 0
35 8.335012327 123.5735091 125.2516077 8.343303946 1 U 38829120 1 e 0 0 0 0 0 0
36 8.384738309 123.5879822 124.202869 8.342048409 1 U 211869952 1 e 0 0 0 0 0 0
37 8.17298536 115.278997 123.6043444 8.350448222 1 U 77722024 1 e 0 0 0 0 0 0
38 8.276666411 121.0170447 123.0481553 8.340867258 1 U 103181824 1 e 0 0 0 0 0 0
39 8.234396183 115.7065787 122.7234865 8.339216297 1 U 31217880 1 e 0 0 0 0 0 0
40 8.365653203 123.0047895 122.4860025 8.35313397 1 U 65245408 1 e 0 0 0 0 0 0
41 8.216901454 126.4672032 121.0969352 8.351432414 1 U 25055532 1 e 0 0 0 0 0 0
42 8.362013242 116.5322317 120.5646041 8.35674955 1 U 37549608 1 e 0 0 0 0 0 0
43 8.149270572 116.5539419 128.1678422 8.331750383 1 U 102103344 1 e 0 0 0 0 0 0
44 8.409027199 121.5916722 125.6007335 8.324853962 1 U 140922240 1 e 0 0 0 0 0 0
45 8.060023574 114.6958764 123.3680917 8.330094904 1 U 152458592 1 e 0 0 0 0 0 0
46 8.302127307 125.5627147 121.4202192 8.332747073 1 U 134156992 1 e 0 0 0 0 0 0
47 8.405313339 120.1987665 120.7694974 8.327863758 1 U 138963440 1 e 0 0 0 0 0 0
48 8.335202389 125.1950037 118.5215387 8.322981498 1 U 42765868 1 e 0 0 0 0 0 0
49 8.453427891 125.555779 110.4671048 8.326838006 1 U 69026536 1 e 0 0 0 0 0 0
50 8.351641275 121.4203645 109.1193647 8.326178615 1 U 160364816 1 e 0 0 0 0 0 0
51 8.490960842 120.6828353 121.7741315 8.312806344 1 U 27667542 1 e 0 0 0 0 0 0
52 8.323339546 123.3507816 120.9089336 8.303008244 1 U 152982256 1 e 0 0 0 0 0 0
53 8.102289041 123.8247647 120.5163364 8.312634683 1 U 225393920 1 e 0 0 0 0 0 0
54 8.610834222 124.6291135 120.1954027 8.301109579 1 U 109433744 1 e 0 0 0 0 0 0
55 8.115587798 120.4430197 126.7958771 8.279539423 1 U 144136448 1 e 0 0 0 0 0 0
56 8.31568627 118.4630266 125.1969848 8.29340891 1 U 22928154 1 e 0 0 0 0 0 0
57 8.18448802 126.4772198 121.6269369 8.283360093 1 U 175873776 1 e 0 0 0 0 0 0
58 8.369160443 126.4062657 121.0260814 8.281653869 1 U 81329704 1 e 0 0 0 0 0 0
59 8.357576267 124.300069 120.7808271 8.289957462 1 U 136878080 1 e 0 0 0 0 0 0
60 8.346389513 120.5464231 110.8091695 8.292643059 1 U 42728952 1 e 0 0 0 0 0 0
61 8.064928061 121.7388613 125.1767139 8.271960874 1 U 114558944 1 e 0 0 0 0 0 0
62 8.271425704 126.7732749 122.9320585 8.269441819 1 U 145273968 1 e 0 0 0 0 0 0
63 8.393037893 122.9944343 122.8992743 8.269245462 1 U 155554320 1 e 0 0 0 0 0 0
64 8.412053544 125.955493 118.7406645 8.27442286 1 U 137384192 1 e 0 0 0 0 0 0
65 8.389689346 119.9491763 116.7663744 8.274265353 1 U 48401732 1 e 0 0 0 0 0 0
66 8.203519805 121.9889724 115.5741033 8.26538805 1 U 64867224 1 e 0 0 0 0 0 0
67 8.41967487 125.5462024 123.4346623 8.256142579 1 U 110484776 1 e 0 0 0 0 0 0
68 8.194468277 124.4435627 122.3851359 8.239993911 1 U 217793312 1 e 0 0 0 0 0 0
69 8.319458688 109.1239303 120.5600156 8.25063255 1 U 130003736 1 e 0 0 0 0 0 0
70 8.490294645 110.3963876 115.7083276 8.239322323 1 U 24604534 1 e 0 0 0 0 0 0
71 8.231422472 122.3751101 107.645545 8.240941662 1 U 196059584 1 e 0 0 0 0 0 0
72 8.397377429 110.8257998 120.8307031 8.225590768 1 U 36650724 1 e 0 0 0 0 0 0
73 7.410825057 115.4769181 120.4754181 8.227459016 1 U 23349934 1 e 0 0 0 0 0 0
74 8.244493927 120.5423087 114.2384793 8.228787434 1 U 185649936 1 e 0 0 0 0 0 0
75 8.194984985 121.2211908 124.463971 8.20133381 1 U 190989040 1 e 0 0 0 0 0 0
76 7.960204815 120.1877437 121.9938292 8.210673394 1 U 110761208 1 e 0 0 0 0 0 0
77 8.268132331 118.7258295 121.2322249 8.202556973 1 U 175810208 1 e 0 0 0 0 0 0
78 8.507551175 125.4989326 120.675105 8.206428841 1 U 26011478 1 e 0 0 0 0 0 0
79 8.222192625 114.2269562 116.3963092 8.21064644 1 U 161624496 1 e 0 0 0 0 0 0
80 8.061637491 112.7126095 126.5056866 8.19087903 1 U 148881680 1 e 0 0 0 0 0 0
81 8.45887162 110.188193 123.8179413 8.197048299 1 U 57565320 1 e 0 0 0 0 0 0
82 8.462084589 123.1178604 115.3136849 8.171684426 1 U 24115302 1 e 0 0 0 0 0 0
83 8.258251204 115.5525856 116.5570079 8.157522513 1 U 80959152 1 e 0 0 0 0 0 0
84 8.335983269 125.5957283 120.4451471 8.122491695 1 U 145393824 1 e 0 0 0 0 0 0
85 8.295597214 120.9013896 123.8424716 8.11051997 1 U 189437744 1 e 0 0 0 0 0 0
86 8.04386145 118.6273573 121.8620286 8.105475234 1 U 87647064 1 e 0 0 0 0 0 0
87 8.440636478 121.3213451 121.4384861 8.103270891 1 U 93140472 1 e 0 0 0 0 0 0
88 8.404675813 124.6283295 119.7495129 8.096971671 1 U 219087776 1 e 0 0 0 0 0 0
89 8.315893736 124.1714902 119.5514043 8.097873044 1 U 184366480 1 e 0 0 0 0 0 0
90 8.407930201 125.5189532 112.8610385 8.081607978 1 U 108733288 1 e 0 0 0 0 0 0
91 8.097637935 121.8364577 121.7664466 8.073819068 1 U 118122376 1 e 0 0 0 0 0 0
92 8.2620141 122.8708843 114.6945527 8.067582038 1 U 130652200 1 e 0 0 0 0 0 0
93 8.119314459 123.5518402 112.7056227 8.068437333 1 U 158769616 1 e 0 0 0 0 0 0
94 8.431184936 119.915174 124.2629467 8.058546476 1 U 171797296 1 e 0 0 0 0 0 0
95 7.913448947 123.5453516 118.6284037 8.052195306 1 U 128216944 1 e 0 0 0 0 0 0
96 8.496860816 123.3135442 116.5965599 8.048676247 1 U 29099392 1 e 0 0 0 0 0 0
97 8.438117689 123.8947052 127.6560751 8.033803144 1 U 126285456 1 e 0 0 0 0 0 0
98 8.266760263 125.9823628 125.648825 8.009921582 1 U 35900368 1 e 0 0 0 0 0 0
99 8.39954688 118.9258007 120.1953365 7.970957912 1 U 152925392 1 e 0 0 0 0 0 0
100 8.407478347 118.5922711 123.5759403 7.923733565 1 U 140860784 1 e 0 0 0 0 0 0
101 8.400784669 117.176762 115.4303351 8.24587579 1 U 17314124 1 e 0 0 0 0 0 0
102 8.392047996 119.9418051 117.2276209 8.404899852 1 U 22887274 1 e 0 0 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 1H . 'not observed' 11363.637 Hz . . . . . . 52649 5
2 . . N 15 15N . 'not observed' 2838.505 Hz . . . . . . 52649 5
3 . . N 15 15N . 'not observed' 2838.505 Hz . . . . . . 52649 5
4 . . H 1 1H . 'not observed' 4801.643 Hz . . . . . . 52649 5
stop_
loop_
_Spectral_peak_software.Software_ID
_Spectral_peak_software.Software_label
_Spectral_peak_software.Method_ID
_Spectral_peak_software.Method_label
_Spectral_peak_software.Entry_ID
_Spectral_peak_software.Spectral_peak_list_ID
1 $software_1 . . 52649 5
2 $software_2 . . 52649 5
stop_
save_