Content for NMR-STAR saveframe, "spectral_peak_list_1"
save_spectral_peak_list_1
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_1
_Spectral_peak_list.Entry_ID 51351
_Spectral_peak_list.ID 1
_Spectral_peak_list.Name tsr3nc2_nhsqc
_Spectral_peak_list.Sample_ID 2
_Spectral_peak_list.Sample_label $sample_2
_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 14
_Spectral_peak_list.Experiment_name '2D 1H-15N HSQC'
_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 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
;
# Number of dimensions 2
#INAME 1 H1
#INAME 2 N15
1 8.489 117.622 0 U 0.000e+00 0.00e+00 - 0 164 165 0
# H/N L37
2 7.466 110.383 0 U 0.000e+00 0.00e+00 - 0 984 986 0
# HE21/NE2 Q63
3 8.983 120.497 0 U 0.000e+00 0.00e+00 - 0 45 46 0
# H/N C65
4 8.931 117.621 0 U 0.000e+00 0.00e+00 - 0 77 78 0
# H/N N61
5 8.594 104.543 0 U 0.000e+00 0.00e+00 - 0 109 110 0
# H/N G46
6 8.494 123.607 0 U 0.000e+00 0.00e+00 - 0 15 16 0
# H/N S24
7 8.213 121.953 0 U 0.000e+00 0.00e+00 - 0 27 28 0
# H/N W14
8 6.962 113.406 0 U 0.000e+00 0.00e+00 - 0 970 971 0
# HD22/ND2 N61
9 7.976 119.415 0 U 0.000e+00 0.00e+00 - 0 63 64 0
# H/N A42
10 8.478 112.566 0 U 0.000e+00 0.00e+00 - 0 95 96 0
# H/N G4
11 5.437 107.945 0 U 0.000e+00 0.00e+00 - 0 988 989 0
# HE22/NE2 Q58
12 8.696 120.411 0 U 0.000e+00 0.00e+00 - 0 49 50 0
# H/N Q44
13 8.469 117.554 0 U 0.000e+00 0.00e+00 - 0 81 82 0
# H/N R34
14 7.554 114.112 0 U 0.000e+00 0.00e+00 - 0 113 114 0
# H/N C27
15 8.677 125.366 0 U 0.000e+00 0.00e+00 - 0 5 6 0
# H/N N11
16 8.412 121.837 0 U 0.000e+00 0.00e+00 - 0 31 32 0
# H/N E56
17 8.598 118.574 0 U 0.000e+00 0.00e+00 - 0 67 68 0
# H/N D53
18 9.270 111.425 0 U 0.000e+00 0.00e+00 - 0 99 100 0
# H/N G15
19 9.796 128.954 0 U 0.000e+00 0.00e+00 - 0 1016 1017 0
# HE1/NE1 W17
20 6.798 110.994 0 U 0.000e+00 0.00e+00 - 0 992 991 0
# HE22/NE2 Q32
21 8.499 120.230 0 U 0.000e+00 0.00e+00 - 0 53 54 0
# H/N K48
22 7.856 116.717 0 U 0.000e+00 0.00e+00 - 0 85 86 0
# H/N S7
23 7.345 109.577 0 U 0.000e+00 0.00e+00 - 0 117 118 0
# H/N T55
24 7.973 113.411 0 U 0.000e+00 0.00e+00 - 0 969 971 0
# HD21/ND2 N61
25 8.305 126.982 0 U 0.000e+00 0.00e+00 - 0 1 2 0
# H/N L68
26 8.180 124.082 0 U 0.000e+00 0.00e+00 - 0 11 12 0
# H/N W20
27 8.752 121.302 0 U 0.000e+00 0.00e+00 - 0 35 36 0
# H/N Q63
28 6.592 108.299 0 U 0.000e+00 0.00e+00 - 0 978 979 0
# HD21/ND2 N39
29 9.077 120.919 0 U 0.000e+00 0.00e+00 - 0 39 40 0
# H/N F45
30 9.007 117.902 0 U 0.000e+00 0.00e+00 - 0 71 72 0
# H/N G52
31 8.414 109.623 0 U 0.000e+00 0.00e+00 - 0 103 104 0
# H/N G29
32 6.213 107.947 0 U 0.000e+00 0.00e+00 - 0 987 989 0
# HE21/NE2 Q58
33 8.405 122.689 0 U 0.000e+00 0.00e+00 - 0 21 22 0
# H/N N6
34 7.008 114.376 0 U 0.000e+00 0.00e+00 - 0 964 965 0
# HD22/ND2 N11
35 8.629 120.088 0 U 0.000e+00 0.00e+00 - 0 57 58 0
# H/N N40
36 8.572 115.838 0 U 0.000e+00 0.00e+00 - 0 89 90 0
# H/N G30
37 6.870 113.156 0 U 0.000e+00 0.00e+00 - 0 973 974 0
# HD22/ND2 N6
38 8.204 120.382 0 U 0.000e+00 0.00e+00 - 0 226 227 0
# H/N W17
39 8.206 123.590 0 U 0.000e+00 0.00e+00 - 0 17 18 0
# H/N I10
40 6.802 111.724 0 U 0.000e+00 0.00e+00 - 0 982 983 0
# HE22/NE2 Q44
41 8.614 120.650 0 U 0.000e+00 0.00e+00 - 0 43 44 0
# H/N Q32
42 8.499 117.788 0 U 0.000e+00 0.00e+00 - 0 75 76 0
# H/N N57
43 8.967 107.024 0 U 0.000e+00 0.00e+00 - 0 107 108 0
# H/N G12
44 8.083 122.195 0 U 0.000e+00 0.00e+00 - 0 25 26 0
# H/N I59
45 7.879 119.495 0 U 0.000e+00 0.00e+00 - 0 61 62 0
# H/N I5
46 8.576 113.138 0 U 0.000e+00 0.00e+00 - 0 93 94 0
# H/N S35
47 9.135 124.285 0 U 0.000e+00 0.00e+00 - 0 7 8 0
# H/N C38
48 7.945 120.470 0 U 0.000e+00 0.00e+00 - 0 47 48 0
# H/N C60
49 8.780 117.597 0 U 0.000e+00 0.00e+00 - 0 79 80 0
# H/N V31
50 7.508 121.181 0 U 0.000e+00 0.00e+00 - 0 111 112 0
# H/N N39
51 7.733 114.373 0 U 0.000e+00 0.00e+00 - 0 963 965 0
# HD21/ND2 N11
52 9.888 128.891 0 U 0.000e+00 0.00e+00 - 0 1029 1030 0
# HE1/NE1 W20
53 8.306 122.178 0 U 0.000e+00 0.00e+00 - 0 29 30 0
# H/N I67
54 7.530 113.155 0 U 0.000e+00 0.00e+00 - 0 972 974 0
# HD21/ND2 N6
55 8.309 121.351 0 U 0.000e+00 0.00e+00 - 0 37 38 0
# H/N I3
56 8.259 119.289 0 U 0.000e+00 0.00e+00 - 0 65 66 0
# H/N C50
57 8.815 111.838 0 U 0.000e+00 0.00e+00 - 0 97 98 0
# H/N G13
58 7.458 111.726 0 U 0.000e+00 0.00e+00 - 0 981 983 0
# HE21/NE2 Q44
59 9.009 123.690 0 U 0.000e+00 0.00e+00 - 0 13 14 0
# H/N D21
60 7.797 110.998 0 U 0.000e+00 0.00e+00 - 0 990 991 0
# HE21/NE2 Q32
61 8.199 120.362 0 U 0.000e+00 0.00e+00 - 0 51 52 0
# H/N 26
62 7.970 117.395 0 U 0.000e+00 0.00e+00 - 0 83 84 0
# H/N I22
63 7.495 106.491 0 U 0.000e+00 0.00e+00 - 0 115 116 0
# H/N G47
64 6.667 111.750 0 U 0.000e+00 0.00e+00 - 0 967 968 0
# HD22/ND2 N57
65 8.436 121.559 0 U 0.000e+00 0.00e+00 - 0 33 34 0
# H/N D64
66 6.806 110.400 0 U 0.000e+00 0.00e+00 - 0 976 977 0
# HD22/ND2 N40
67 8.505 118.082 0 U 0.000e+00 0.00e+00 - 0 69 70 0
# H/N R36
68 8.743 110.868 0 U 0.000e+00 0.00e+00 - 0 101 102 0
# H/N X26
69 6.496 110.385 0 U 0.000e+00 0.00e+00 - 0 985 986 0
# HE22/NE2 Q63
70 8.126 125.395 0 U 0.000e+00 0.00e+00 - 0 3 4 0
# H/N 2
71 7.872 123.383 0 U 0.000e+00 0.00e+00 - 0 19 20 0
# H/N D8
72 8.815 120.190 0 U 0.000e+00 0.00e+00 - 0 55 56 0
# H/N K33
73 8.474 116.411 0 U 0.000e+00 0.00e+00 - 0 87 88 0
# H/N V54
74 6.947 111.618 0 U 0.000e+00 0.00e+00 - 0 119 120 0
# H/N V25
75 9.494 127.280 0 U 0.000e+00 0.00e+00 - 0 1004 1005 0
# HE1/NE1 W14
76 7.505 108.298 0 U 0.000e+00 0.00e+00 - 0 980 979 0
# HD22/ND2 N39
77 8.189 120.690 0 U 0.000e+00 0.00e+00 - 0 41 42 0
# H/N D49
78 8.769 117.836 0 U 0.000e+00 0.00e+00 - 0 73 74 0
# H/N Q58
79 9.075 108.986 0 U 0.000e+00 0.00e+00 - 0 105 106 0
# H/N G28
80 8.252 121.882 0 U 0.000e+00 0.00e+00 - 0 137 138 0
# H/N E69
81 8.640 124.197 0 U 0.000e+00 0.00e+00 - 0 9 10 0
# H/N C23
82 8.357 122.425 0 U 0.000e+00 0.00e+00 - 0 23 24 0
# H/N V51
83 7.266 111.750 0 U 0.000e+00 0.00e+00 - 0 966 968 0
# HD21/ND2 N57
84 9.367 119.834 0 U 0.000e+00 0.00e+00 - 0 59 60 0
# H/N S18
85 8.274 115.143 0 U 0.000e+00 0.00e+00 - 0 91 92 0
# H/N K62
86 7.063 110.396 0 U 0.000e+00 0.00e+00 - 0 975 977 0
# HD21/ND2 N40
;
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 amide . aliased 6.61525 ppm . . . . . . 51351 1
2 . . N 15 amide . aliased 35 ppm . . . . . . 51351 1
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
5 $software_5 . . 51351 1
stop_
save_