#########################
# Spectral peak lists #
#########################
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 51406
_Spectral_peak_list.ID 1
_Spectral_peak_list.Name 'peak list 1'
_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 1
_Spectral_peak_list.Experiment_name '2D 1H-15N 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 1
_Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1
_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 . aliased 4208.75420875 Hz . . . . . . 51406 1
2 . . N 15 15N . aliased 2837.68444949 Hz . . . . . . 51406 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
1 $software_1 . . 51406 1
stop_
loop_
_Peak.ID
_Peak.Figure_of_merit
_Peak.Type
_Peak.Restraint
_Peak.Details
_Peak.Entry_ID
_Peak.Spectral_peak_list_ID
1 1.0 . . . 51406 1
2 1.0 . . . 51406 1
3 1.0 . . . 51406 1
4 1.0 . . . 51406 1
5 1.0 . . . 51406 1
6 1.0 . . . 51406 1
7 1.0 . . . 51406 1
8 1.0 . . . 51406 1
9 1.0 . . . 51406 1
10 1.0 . . . 51406 1
11 1.0 . . . 51406 1
12 1.0 . . . 51406 1
13 1.0 . . . 51406 1
14 1.0 . . . 51406 1
15 1.0 . . . 51406 1
16 1.0 . . . 51406 1
17 1.0 . . . 51406 1
18 1.0 . . . 51406 1
19 1.0 . . . 51406 1
20 1.0 . . . 51406 1
21 1.0 . . . 51406 1
22 1.0 . . . 51406 1
23 1.0 . . . 51406 1
24 1.0 . . . 51406 1
25 1.0 . . . 51406 1
26 1.0 . . . 51406 1
27 1.0 . . . 51406 1
28 1.0 . . . 51406 1
29 1.0 . . . 51406 1
30 1.0 . . . 51406 1
31 1.0 . . . 51406 1
32 1.0 . . . 51406 1
33 1.0 . . . 51406 1
34 1.0 . . . 51406 1
35 1.0 . . . 51406 1
36 1.0 . . . 51406 1
37 1.0 . . . 51406 1
38 1.0 . . . 51406 1
39 1.0 . . . 51406 1
40 1.0 . . . 51406 1
41 1.0 . . . 51406 1
42 1.0 . . . 51406 1
43 1.0 . . . 51406 1
44 1.0 . . . 51406 1
45 1.0 . . . 51406 1
46 1.0 . . . 51406 1
47 1.0 . . . 51406 1
48 1.0 . . . 51406 1
49 1.0 . . . 51406 1
50 1.0 . . . 51406 1
51 1.0 . . . 51406 1
52 1.0 . . . 51406 1
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 7988.96289062 . height 51406 1
1 59994.10742190 . volume 51406 1
2 130032.64062500 . height 51406 1
2 944908.07812500 . volume 51406 1
3 77442.47656250 . height 51406 1
3 574736.68359400 . volume 51406 1
4 401514.96875000 . height 51406 1
4 2924086.60938000 . volume 51406 1
5 141670.71875000 . height 51406 1
5 1037776.06250000 . volume 51406 1
6 49985.42187500 . height 51406 1
6 370202.27343800 . volume 51406 1
7 67002.79687500 . height 51406 1
7 504665.41015600 . volume 51406 1
8 27726.15625000 . height 51406 1
8 208066.18359400 . volume 51406 1
9 9527.84765625 . height 51406 1
9 71903.17187500 . volume 51406 1
10 98475.17187500 . height 51406 1
10 743041.73437500 . volume 51406 1
11 14358.24023440 . height 51406 1
11 113340.19531200 . volume 51406 1
12 57085.24609380 . height 51406 1
12 429920.06640600 . volume 51406 1
13 74427.40625000 . height 51406 1
13 556385.51171900 . volume 51406 1
14 38099.54687500 . height 51406 1
14 285937.14648400 . volume 51406 1
15 11281.57812500 . height 51406 1
15 84589.46289060 . volume 51406 1
16 67652.50000000 . height 51406 1
16 501691.68750000 . volume 51406 1
17 105799.35156200 . height 51406 1
17 773309.95312500 . volume 51406 1
18 10655.75000000 . height 51406 1
18 90472.76953120 . volume 51406 1
19 11975.68554690 . height 51406 1
19 94760.05859380 . volume 51406 1
20 20934.09765620 . height 51406 1
20 171134.51367200 . volume 51406 1
21 36435.97656250 . height 51406 1
21 261757.39257800 . volume 51406 1
22 6799.32617188 . height 51406 1
22 57357.35937500 . volume 51406 1
23 35091.13281250 . height 51406 1
23 254003.59375000 . volume 51406 1
24 78252.96875000 . height 51406 1
24 619938.19531200 . volume 51406 1
25 19550.98242190 . height 51406 1
25 156778.74609400 . volume 51406 1
26 11688.39843750 . height 51406 1
26 87746.04687500 . volume 51406 1
27 112379.60156200 . height 51406 1
27 830049.59375000 . volume 51406 1
28 19031.40429690 . height 51406 1
28 149565.92773400 . volume 51406 1
29 33605.89062500 . height 51406 1
29 268881.05664100 . volume 51406 1
30 12491.50585940 . height 51406 1
30 92973.63867190 . volume 51406 1
31 62756.34375000 . height 51406 1
31 464657.35546900 . volume 51406 1
32 57215.75000000 . height 51406 1
32 454488.22656200 . volume 51406 1
33 55693.53906250 . height 51406 1
33 415492.75000000 . volume 51406 1
34 33762.28125000 . height 51406 1
34 245445.30664100 . volume 51406 1
35 8240.17773438 . height 51406 1
35 69638.73828120 . volume 51406 1
36 152058.09375000 . height 51406 1
36 1190063.23438000 . volume 51406 1
37 31864.53710940 . height 51406 1
37 244334.69921900 . volume 51406 1
38 20206.17578120 . height 51406 1
38 167495.77148400 . volume 51406 1
39 20974.34960940 . height 51406 1
39 174244.30273400 . volume 51406 1
40 138783.59375000 . height 51406 1
40 1017605.07812000 . volume 51406 1
41 9796.84375000 . height 51406 1
41 82368.58789060 . volume 51406 1
42 9862.73828125 . height 51406 1
42 85761.26953120 . volume 51406 1
43 9967.75390625 . height 51406 1
43 86346.66796880 . volume 51406 1
44 60781.36718750 . height 51406 1
44 445171.18750000 . volume 51406 1
45 14246.66796880 . height 51406 1
45 89410.54296880 . volume 51406 1
46 10475.06250000 . height 51406 1
46 87317.61328120 . volume 51406 1
47 24572.79882810 . height 51406 1
47 205952.66406200 . volume 51406 1
48 75950.89843750 . height 51406 1
48 609829.89062500 . volume 51406 1
49 7392.52148438 . height 51406 1
49 64269.62109380 . volume 51406 1
50 12483.78515620 . height 51406 1
50 92160.04882810 . volume 51406 1
51 146230.60937500 . height 51406 1
51 1159776.48438000 . volume 51406 1
52 69007.30468750 . height 51406 1
52 564150.88281200 . volume 51406 1
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 7.945 . 21.5977781549 . . . . . . . . . . . 51406 1
1 2 129.292 . 22.0287705388 . . . . . . . . . . . 51406 1
2 1 7.441 . 20.1210831151 . . . . . . . . . . . 51406 1
2 2 129.106 . 19.2261767171 . . . . . . . . . . . 51406 1
3 1 7.878 . 21.3731318612 . . . . . . . . . . . 51406 1
3 2 128.805 . 20.2364450010 . . . . . . . . . . . 51406 1
4 1 7.653 . 19.9040880910 . . . . . . . . . . . 51406 1
4 2 128.709 . 19.3445741386 . . . . . . . . . . . 51406 1
5 1 7.736 . 21.6214845478 . . . . . . . . . . . 51406 1
5 2 127.920 . 19.0142876174 . . . . . . . . . . . 51406 1
6 1 7.843 . 21.3179423753 . . . . . . . . . . . 51406 1
6 2 127.483 . 20.1179630099 . . . . . . . . . . . 51406 1
7 1 7.538 . 25.2173304156 . . . . . . . . . . . 51406 1
7 2 127.482 . 19.9057779166 . . . . . . . . . . . 51406 1
8 1 7.593 . 21.0713457178 . . . . . . . . . . . 51406 1
8 2 127.462 . 54.4703405913 . . . . . . . . . . . 51406 1
9 1 7.668 . 25.8607896490 . . . . . . . . . . . 51406 1
9 2 127.328 . 20.1120008540 . . . . . . . . . . . 51406 1
10 1 7.619 . 27.0491196250 . . . . . . . . . . . 51406 1
10 2 127.080 . 20.3216488597 . . . . . . . . . . . 51406 1
11 1 8.269 . 29.9771727135 . . . . . . . . . . . 51406 1
11 2 126.783 . 24.1556956468 . . . . . . . . . . . 51406 1
12 1 7.883 . 24.0328887898 . . . . . . . . . . . 51406 1
12 2 126.808 . 20.4313778986 . . . . . . . . . . . 51406 1
13 1 7.567 . 24.8703892384 . . . . . . . . . . . 51406 1
13 2 126.830 . 19.4420405874 . . . . . . . . . . . 51406 1
14 1 7.534 . 38.3569435640 . . . . . . . . . . . 51406 1
14 2 126.683 . 18.7684438285 . . . . . . . . . . . 51406 1
15 1 7.789 . 25.0315676233 . . . . . . . . . . . 51406 1
15 2 126.614 . 20.3232979666 . . . . . . . . . . . 51406 1
16 1 7.645 . 20.9165642960 . . . . . . . . . . . 51406 1
16 2 126.533 . 20.1400356720 . . . . . . . . . . . 51406 1
17 1 7.594 . 20.7118614755 . . . . . . . . . . . 51406 1
17 2 126.290 . 19.2135335639 . . . . . . . . . . . 51406 1
18 1 7.573 . 22.2870195755 . . . . . . . . . . . 51406 1
18 2 126.043 . 43.0465962370 . . . . . . . . . . . 51406 1
19 1 8.071 . 31.7328255185 . . . . . . . . . . . 51406 1
19 2 125.500 . 25.0173751667 . . . . . . . . . . . 51406 1
20 1 8.158 . 42.8866206195 . . . . . . . . . . . 51406 1
20 2 125.203 . 28.0161281449 . . . . . . . . . . . 51406 1
21 1 7.488 . 20.2239362479 . . . . . . . . . . . 51406 1
21 2 125.019 . 18.4781164371 . . . . . . . . . . . 51406 1
22 1 8.101 . 88.4501821666 . . . . . . . . . . . 51406 1
22 2 124.681 . 32.2219428356 . . . . . . . . . . . 51406 1
23 1 7.501 . 20.1143098600 . . . . . . . . . . . 51406 1
23 2 124.581 . 19.1369980878 . . . . . . . . . . . 51406 1
24 1 8.379 . 32.0198108452 . . . . . . . . . . . 51406 1
24 2 124.478 . 24.5799812637 . . . . . . . . . . . 51406 1
25 1 8.154 . 34.9245338328 . . . . . . . . . . . 51406 1
25 2 124.471 . 26.2865955253 . . . . . . . . . . . 51406 1
26 1 7.889 . 20.3794702536 . . . . . . . . . . . 51406 1
26 2 124.369 . 21.7383585777 . . . . . . . . . . . 51406 1
27 1 7.813 . 22.2167784116 . . . . . . . . . . . 51406 1
27 2 124.291 . 19.5342214370 . . . . . . . . . . . 51406 1
28 1 8.458 . 30.4048912292 . . . . . . . . . . . 51406 1
28 2 123.874 . 23.2454731841 . . . . . . . . . . . 51406 1
29 1 8.116 . 37.0229886036 . . . . . . . . . . . 51406 1
29 2 123.698 . 25.9089923203 . . . . . . . . . . . 51406 1
30 1 7.488 . 20.5663619218 . . . . . . . . . . . 51406 1
30 2 123.709 . 20.4096857995 . . . . . . . . . . . 51406 1
31 1 7.951 . 21.5366934285 . . . . . . . . . . . 51406 1
31 2 123.644 . 20.0740291095 . . . . . . . . . . . 51406 1
32 1 8.072 . 30.7599853988 . . . . . . . . . . . 51406 1
32 2 123.454 . 25.2250780718 . . . . . . . . . . . 51406 1
33 1 7.880 . 22.6516464744 . . . . . . . . . . . 51406 1
33 2 123.472 . 21.0448879660 . . . . . . . . . . . 51406 1
34 1 7.886 . 20.8293899944 . . . . . . . . . . . 51406 1
34 2 123.058 . 20.0919578619 . . . . . . . . . . . 51406 1
35 1 7.669 . 126.3933300170 . . . . . . . . . . . 51406 1
35 2 123.081 . 34.8845317063 . . . . . . . . . . . 51406 1
36 1 7.770 . 27.8507469078 . . . . . . . . . . . 51406 1
36 2 123.021 . 23.4178260020 . . . . . . . . . . . 51406 1
37 1 7.827 . 75.5502669900 . . . . . . . . . . . 51406 1
37 2 122.805 . 22.1101264813 . . . . . . . . . . . 51406 1
38 1 7.969 . 42.2878146974 . . . . . . . . . . . 51406 1
38 2 122.573 . 35.8712050755 . . . . . . . . . . . 51406 1
39 1 7.954 . 44.4049586351 . . . . . . . . . . . 51406 1
39 2 122.494 . 33.3381768117 . . . . . . . . . . . 51406 1
40 1 7.613 . 21.4912875333 . . . . . . . . . . . 51406 1
40 2 121.189 . 19.0233365632 . . . . . . . . . . . 51406 1
41 1 8.029 . 126.1249084260 . . . . . . . . . . . 51406 1
41 2 121.002 . 40.0606132663 . . . . . . . . . . . 51406 1
42 1 7.930 . 125.5333774820 . . . . . . . . . . . 51406 1
42 2 121.026 . 107.3696319690 . . . . . . . . . . . 51406 1
43 1 7.919 . 136.9464377360 . . . . . . . . . . . 51406 1
43 2 120.894 . 103.9975042650 . . . . . . . . . . . 51406 1
44 1 7.655 . 21.1245283133 . . . . . . . . . . . 51406 1
44 2 120.886 . 18.9860413754 . . . . . . . . . . . 51406 1
45 1 7.611 . 53.7563152988 . . . . . . . . . . . 51406 1
45 2 120.720 . 13.4790390222 . . . . . . . . . . . 51406 1
46 1 7.987 . 44.0191339563 . . . . . . . . . . . 51406 1
46 2 120.658 . 54.9346276228 . . . . . . . . . . . 51406 1
47 1 7.923 . 114.9457763340 . . . . . . . . . . . 51406 1
47 2 120.132 . 34.7140394194 . . . . . . . . . . . 51406 1
48 1 7.809 . 38.5177456570 . . . . . . . . . . . 51406 1
48 2 119.871 . 24.5413329626 . . . . . . . . . . . 51406 1
49 1 7.888 . 151.7924094440 . . . . . . . . . . . 51406 1
49 2 119.806 . 112.1787660910 . . . . . . . . . . . 51406 1
50 1 7.575 . 21.8166546388 . . . . . . . . . . . 51406 1
50 2 115.129 . 19.5628059573 . . . . . . . . . . . 51406 1
51 1 7.509 . 34.2247562376 . . . . . . . . . . . 51406 1
51 2 113.846 . 25.4040273175 . . . . . . . . . . . 51406 1
52 1 7.817 . 39.9733683477 . . . . . . . . . . . 51406 1
52 2 119.905 . 26.2762780357 . . . . . . . . . . . 51406 1
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 . . 7.945 . . 1 . . . . . . . . . . . . . . . . 23 . 51406 1
1 2 1 . . 129.292 . . 1 . . . . . . . . . . . . . . . . 24 . 51406 1
2 1 1 . . 7.441 . . 1 . 1 1 26 ALA H . . . . . . . . . . 39 . 51406 1
2 2 2 . . 129.106 . . 1 . 1 1 26 ALA N . . . . . . . . . . 40 . 51406 1
3 1 1 . . 7.878 . . 1 . 1 1 32 LYS H . . . . . . . . . . 72 . 51406 1
3 2 1 . . 128.805 . . 1 . 1 1 32 LYS N . . . . . . . . . . 73 . 51406 1
4 1 1 . . 7.653 . . 1 . 1 1 44 LEU H . . . . . . . . . . 19 . 51406 1
4 2 1 . . 128.709 . . 1 . 1 1 44 LEU N . . . . . . . . . . 20 . 51406 1
5 1 1 . . 7.736 . . 1 . 1 1 18 LYS H . . . . . . . . . . 9 . 51406 1
5 2 1 . . 127.920 . . 1 . 1 1 18 LYS N . . . . . . . . . . 10 . 51406 1
6 1 1 . . 7.843 . . 1 . 1 1 35 ARG H . . . . . . . . . . 27 . 51406 1
6 2 1 . . 127.483 . . 1 . 1 1 35 ARG N . . . . . . . . . . 28 . 51406 1
7 1 1 . . 7.538 . . 1 . . . . . . . . . . . . . . . . 45 . 51406 1
7 2 1 . . 127.482 . . 1 . . . . . . . . . . . . . . . . 46 . 51406 1
8 1 1 . . 7.593 . . 1 . . . . . . . . . . . . . . . . 66 . 51406 1
8 2 1 . . 127.462 . . 1 . . . . . . . . . . . . . . . . 67 . 51406 1
9 1 1 . . 7.668 . . 1 . . . . . . . . . . . . . . . . 80 . 51406 1
9 2 1 . . 127.328 . . 1 . . . . . . . . . . . . . . . . 81 . 51406 1
10 1 1 . . 7.619 . . 1 . . . . . . . . . . . . . . . . 25 . 51406 1
10 2 1 . . 127.080 . . 1 . . . . . . . . . . . . . . . . 26 . 51406 1
11 1 1 . . 8.269 . . 1 . 1 1 12 ASP H . . . . . . . . . . 41 . 51406 1
11 2 1 . . 126.783 . . 1 . 1 1 12 ASP N . . . . . . . . . . 42 . 51406 1
12 1 1 . . 7.883 . . 1 . 1 1 20 GLN H . . . . . . . . . . 55 . 51406 1
12 2 1 . . 126.808 . . 1 . 1 1 20 GLN N . . . . . . . . . . 56 . 51406 1
13 1 1 . . 7.567 . . 1 . 1 1 6 TYR H . . . . . . . . . . 64 . 51406 1
13 2 1 . . 126.830 . . 1 . 1 1 6 TYR N . . . . . . . . . . 65 . 51406 1
14 1 1 . . 7.534 . . 1 . . . . . . . . . . . . . . . . 76 . 51406 1
14 2 1 . . 126.683 . . 1 . . . . . . . . . . . . . . . . 77 . 51406 1
15 1 1 . . 7.789 . . 1 . . . . . . . . . . . . . . . . 96 . 51406 1
15 2 1 . . 126.614 . . 1 . . . . . . . . . . . . . . . . 97 . 51406 1
16 1 1 . . 7.645 . . 1 . . . . . . . . . . . . . . . . 11 . 51406 1
16 2 1 . . 126.533 . . 1 . . . . . . . . . . . . . . . . 12 . 51406 1
17 1 1 . . 7.594 . . 1 . 1 1 22 TYR H . . . . . . . . . . 62 . 51406 1
17 2 1 . . 126.290 . . 1 . 1 1 22 TYR N . . . . . . . . . . 63 . 51406 1
18 1 1 . . 7.573 . . 1 . . . . . . . . . . . . . . . . 100 . 51406 1
18 2 1 . . 126.043 . . 1 . . . . . . . . . . . . . . . . 101 . 51406 1
19 1 1 . . 8.071 . . 1 . . . . . . . . . . . . . . . . 33 . 51406 1
19 2 1 . . 125.500 . . 1 . . . . . . . . . . . . . . . . 34 . 51406 1
20 1 1 . . 8.158 . . 1 . 1 1 10 ALA H . . . . . . . . . . 49 . 51406 1
20 2 1 . . 125.203 . . 1 . 1 1 10 ALA N . . . . . . . . . . 50 . 51406 1
21 1 1 . . 7.488 . . 1 . 1 1 28 HIS H . . . . . . . . . . 60 . 51406 1
21 2 1 . . 125.019 . . 1 . 1 1 28 HIS N . . . . . . . . . . 61 . 51406 1
22 1 1 . . 8.101 . . 1 . . . . . . . . . . . . . . . . 70 . 51406 1
22 2 1 . . 124.681 . . 1 . . . . . . . . . . . . . . . . 71 . 51406 1
23 1 1 . . 7.501 . . 1 . . . . . . . . . . . . . . . . 88 . 51406 1
23 2 1 . . 124.581 . . 1 . . . . . . . . . . . . . . . . 89 . 51406 1
24 1 1 . . 8.379 . . 1 . 1 1 9 ASP H . . . . . . . . . . 31 . 51406 1
24 2 1 . . 124.478 . . 1 . 1 1 9 ASP N . . . . . . . . . . 32 . 51406 1
25 1 1 . . 8.154 . . 1 . 1 1 43 LEU H . . . . . . . . . . 78 . 51406 1
25 2 1 . . 124.471 . . 1 . 1 1 43 LEU N . . . . . . . . . . 79 . 51406 1
26 1 1 . . 7.889 . . 1 . . . . . . . . . . . . . . . . 15 . 51406 1
26 2 1 . . 124.369 . . 1 . . . . . . . . . . . . . . . . 16 . 51406 1
27 1 1 . . 7.813 . . 1 . 1 1 25 ASN H . . . . . . . . . . 7 . 51406 1
27 2 1 . . 124.291 . . 1 . 1 1 25 ASN N . . . . . . . . . . 8 . 51406 1
28 1 1 . . 8.458 . . 1 . . . . . . . . . . . . . . . . 92 . 51406 1
28 2 1 . . 123.874 . . 1 . . . . . . . . . . . . . . . . 93 . 51406 1
29 1 1 . . 8.116 . . 1 . . . . . . . . . . . . . . . . 94 . 51406 1
29 2 1 . . 123.698 . . 1 . . . . . . . . . . . . . . . . 95 . 51406 1
30 1 1 . . 7.488 . . 1 . . . . . . . . . . . . . . . . 84 . 51406 1
30 2 1 . . 123.709 . . 1 . . . . . . . . . . . . . . . . 85 . 51406 1
31 1 1 . . 7.951 . . 1 . . . . . . . . . . . . . . . . 90 . 51406 1
31 2 1 . . 123.644 . . 1 . . . . . . . . . . . . . . . . 91 . 51406 1
32 1 1 . . 8.072 . . 1 . . . . . . . . . . . . . . . . 1 . 51406 1
32 2 1 . . 123.454 . . 1 . . . . . . . . . . . . . . . . 2 . 51406 1
33 1 1 . . 7.880 . . 1 . . . . . . . . . . . . . . . . 5 . 51406 1
33 2 1 . . 123.472 . . 1 . . . . . . . . . . . . . . . . 6 . 51406 1
34 1 1 . . 7.886 . . 1 . . . . . . . . . . . . . . . . 98 . 51406 1
34 2 1 . . 123.058 . . 1 . . . . . . . . . . . . . . . . 99 . 51406 1
35 1 1 . . 7.669 . . 1 . . . . . . . . . . . . . . . . 47 . 51406 1
35 2 1 . . 123.081 . . 1 . . . . . . . . . . . . . . . . 48 . 51406 1
36 1 1 . . 7.770 . . 1 . 1 1 8 VAL H . . . . . . . . . . 43 . 51406 1
36 2 1 . . 123.021 . . 1 . 1 1 8 VAL N . . . . . . . . . . 44 . 51406 1
37 1 1 . . 7.827 . . 1 . . . . . . . . . . . . . . . . 68 . 51406 1
37 2 1 . . 122.805 . . 1 . . . . . . . . . . . . . . . . 69 . 51406 1
38 1 1 . . 7.969 . . 1 . . . . . . . . . . . . . . . . 17 . 51406 1
38 2 1 . . 122.573 . . 1 . . . . . . . . . . . . . . . . 18 . 51406 1
39 1 1 . . 7.954 . . 1 . 1 1 24 LEU H . . . . . . . . . . 59 . 51406 1
39 2 1 . . 122.494 . . 1 . 1 1 24 LEU N . . . . . . . . . . 328 . 51406 1
40 1 1 . . 7.613 . . 1 . 1 1 31 THR H . . . . . . . . . . 51 . 51406 1
40 2 1 . . 121.189 . . 1 . 1 1 31 THR N . . . . . . . . . . 52 . 51406 1
41 1 1 . . 8.029 . . 1 . 1 1 14 ASP H . . . . . . . . . . 37 . 51406 1
41 2 1 . . 121.002 . . 1 . 1 1 14 ASP N . . . . . . . . . . 38 . 51406 1
42 1 1 . . 7.930 . . 1 . . . . . . . . . . . . . . . . 74 . 51406 1
42 2 1 . . 121.026 . . 1 . . . . . . . . . . . . . . . . 75 . 51406 1
43 1 1 . . 7.919 . . 1 . . . . . . . . . . . . . . . . 53 . 51406 1
43 2 1 . . 120.894 . . 1 . . . . . . . . . . . . . . . . 54 . 51406 1
44 1 1 . . 7.655 . . 1 . 1 1 30 THR H . . . . . . . . . . 86 . 51406 1
44 2 1 . . 120.886 . . 1 . 1 1 30 THR N . . . . . . . . . . 87 . 51406 1
45 1 1 . . 7.611 . . 1 . . . . . . . . . . . . . . . . 82 . 51406 1
45 2 1 . . 120.720 . . 1 . . . . . . . . . . . . . . . . 83 . 51406 1
46 1 1 . . 7.987 . . 1 . . . . . . . . . . . . . . . . 57 . 51406 1
46 2 1 . . 120.658 . . 1 . . . . . . . . . . . . . . . . 58 . 51406 1
47 1 1 . . 7.923 . . 1 . 1 1 13 HIS H . . . . . . . . . . 35 . 51406 1
47 2 1 . . 120.132 . . 1 . 1 1 13 HIS N . . . . . . . . . . 36 . 51406 1
48 1 1 . . 7.809 . . 1 . 1 1 11 ASN H . . . . . . . . . . 21 . 51406 1
48 2 1 . . 119.871 . . 1 . 1 1 11 ASN N . . . . . . . . . . 22 . 51406 1
49 1 1 . . 7.888 . . 1 . . . . . . . . . . . . . . . . 13 . 51406 1
49 2 1 . . 119.806 . . 1 . . . . . . . . . . . . . . . . 14 . 51406 1
50 1 1 . . 7.575 . . 1 . 1 1 38 GLY H . . . . . . . . . . 3 . 51406 1
50 2 1 . . 115.129 . . 1 . 1 1 38 GLY N . . . . . . . . . . 4 . 51406 1
51 1 1 . . 7.509 . . 1 . . . . . . . . . . . . . . . . 29 . 51406 1
51 2 1 . . 113.846 . . 1 . . . . . . . . . . . . . . . . 30 . 51406 1
52 1 1 . . 7.817 . . 1 . . . . . . . . . . . . . . . . 247 . 51406 1
52 2 1 . . 119.905 . . 1 . . . . . . . . . . . . . . . . 248 . 51406 1
stop_
save_
#########################
# Spectral peak lists #
#########################
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 51406
_Spectral_peak_list.ID 2
_Spectral_peak_list.Name 'peak list 1 2'
_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 2
_Spectral_peak_list.Experiment_name '3D HNCACB'
_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 '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 . aliased 5252.10084034 Hz . . . . . . 51406 2
2 . . N 15 15N . aliased 2483.85494287 Hz . . . . . . 51406 2
3 . . C 13 13C . aliased 13192.61213720 Hz . . . . . . 51406 2
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 . . 51406 2
stop_
loop_
_Peak.ID
_Peak.Figure_of_merit
_Peak.Type
_Peak.Restraint
_Peak.Details
_Peak.Entry_ID
_Peak.Spectral_peak_list_ID
1 1.0 . . . 51406 2
2 1.0 . . . 51406 2
3 1.0 . . . 51406 2
4 1.0 . . . 51406 2
5 1.0 . . . 51406 2
6 1.0 . . . 51406 2
7 1.0 . . . 51406 2
8 1.0 . . . 51406 2
9 1.0 . . . 51406 2
10 1.0 . . . 51406 2
11 1.0 . . . 51406 2
12 1.0 . . . 51406 2
13 1.0 . . . 51406 2
14 1.0 . . . 51406 2
15 1.0 . . . 51406 2
16 1.0 . . . 51406 2
17 1.0 . . . 51406 2
18 1.0 . . . 51406 2
19 1.0 . . . 51406 2
20 1.0 . . . 51406 2
21 1.0 . . . 51406 2
22 1.0 . . . 51406 2
23 1.0 . . . 51406 2
24 1.0 . . . 51406 2
25 1.0 . . . 51406 2
26 1.0 . . . 51406 2
27 1.0 . . . 51406 2
28 1.0 . . . 51406 2
29 1.0 . . . 51406 2
30 1.0 . . . 51406 2
31 1.0 . . . 51406 2
32 1.0 . . . 51406 2
33 1.0 . . . 51406 2
34 1.0 . . . 51406 2
35 1.0 . . . 51406 2
36 1.0 . . . 51406 2
37 1.0 . . . 51406 2
38 1.0 . . . 51406 2
39 1.0 . . . 51406 2
40 1.0 . . . 51406 2
41 1.0 . . . 51406 2
42 1.0 . . . 51406 2
43 1.0 . . . 51406 2
44 1.0 . . . 51406 2
45 1.0 . . . 51406 2
46 1.0 . . . 51406 2
47 1.0 . . . 51406 2
48 1.0 . . . 51406 2
49 1.0 . . . 51406 2
50 1.0 . . . 51406 2
51 1.0 . . . 51406 2
52 1.0 . . . 51406 2
53 1.0 . . . 51406 2
54 1.0 . . . 51406 2
55 1.0 . . . 51406 2
56 1.0 . . . 51406 2
57 1.0 . . . 51406 2
58 1.0 . . . 51406 2
59 1.0 . . . 51406 2
60 1.0 . . . 51406 2
61 1.0 . . . 51406 2
62 1.0 . . . 51406 2
63 1.0 . . . 51406 2
64 1.0 . . . 51406 2
65 1.0 . . . 51406 2
66 1.0 . . . 51406 2
67 1.0 . . . 51406 2
68 1.0 . . . 51406 2
69 1.0 . . . 51406 2
70 1.0 . . . 51406 2
71 1.0 . . . 51406 2
72 1.0 . . . 51406 2
73 1.0 . . . 51406 2
74 1.0 . . . 51406 2
75 1.0 . . . 51406 2
76 1.0 . . . 51406 2
77 1.0 . . . 51406 2
78 1.0 . . . 51406 2
79 1.0 . . . 51406 2
80 1.0 . . . 51406 2
81 1.0 . . . 51406 2
82 1.0 . . . 51406 2
83 1.0 . . . 51406 2
84 1.0 . . . 51406 2
85 1.0 . . . 51406 2
86 1.0 . . . 51406 2
87 1.0 . . . 51406 2
88 1.0 . . . 51406 2
89 1.0 . . . 51406 2
90 1.0 . . . 51406 2
91 1.0 . . . 51406 2
92 1.0 . . . 51406 2
93 1.0 . . . 51406 2
94 1.0 . . . 51406 2
95 1.0 . . . 51406 2
96 1.0 . . . 51406 2
97 1.0 . . . 51406 2
98 1.0 . . . 51406 2
99 1.0 . . . 51406 2
100 1.0 . . . 51406 2
101 1.0 . . . 51406 2
102 1.0 . . . 51406 2
103 1.0 . . . 51406 2
104 1.0 . . . 51406 2
105 1.0 . . . 51406 2
106 1.0 . . . 51406 2
107 1.0 . . . 51406 2
108 1.0 . . . 51406 2
109 1.0 . . . 51406 2
110 1.0 . . . 51406 2
111 1.0 . . . 51406 2
112 1.0 . . . 51406 2
113 1.0 . . . 51406 2
114 1.0 . . . 51406 2
115 1.0 . . . 51406 2
116 1.0 . . . 51406 2
117 1.0 . . . 51406 2
118 1.0 . . . 51406 2
119 1.0 . . . 51406 2
120 1.0 . . . 51406 2
121 1.0 . . . 51406 2
122 1.0 . . . 51406 2
123 1.0 . . . 51406 2
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 307113.8437500 . height 51406 2
1 6948929.3437500 . volume 51406 2
2 205256.0937500 . height 51406 2
2 4578980.3906200 . volume 51406 2
3 -282787.0625000 . height 51406 2
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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
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1 2 123.434 . 56.8607732306 . . . . . . . . . . . 51406 2
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6 3 54.989 . 82.0314821279 . . . . . . . . . . . 51406 2
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7 2 115.070 . 44.9366612157 . . . . . . . . . . . 51406 2
7 3 42.192 . 271.5785773890 . . . . . . . . . . . 51406 2
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8 2 123.277 . 62.9199865856 . . . . . . . . . . . 51406 2
8 3 59.937 . 124.4380637650 . . . . . . . . . . . 51406 2
9 1 7.884 . 21.8993851117 . . . . . . . . . . . 51406 2
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9 3 64.479 . 109.1181760100 . . . . . . . . . . . 51406 2
10 1 7.884 . 24.9253225928 . . . . . . . . . . . 51406 2
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13 2 124.283 . 51.6372241017 . . . . . . . . . . . 51406 2
13 3 40.067 . 116.3784620940 . . . . . . . . . . . 51406 2
14 1 7.813 . 21.6085620287 . . . . . . . . . . . 51406 2
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14 3 41.874 . 125.6926707670 . . . . . . . . . . . 51406 2
15 1 7.738 . 21.2610769673 . . . . . . . . . . . 51406 2
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15 3 57.437 . 112.8587999570 . . . . . . . . . . . 51406 2
16 1 7.738 . 20.5394976279 . . . . . . . . . . . 51406 2
16 2 127.880 . 46.3003802525 . . . . . . . . . . . 51406 2
16 3 55.793 . 111.0930713310 . . . . . . . . . . . 51406 2
17 1 7.738 . 21.2566942728 . . . . . . . . . . . 51406 2
17 2 127.930 . 53.2568093265 . . . . . . . . . . . 51406 2
17 3 33.227 . 115.6927727770 . . . . . . . . . . . 51406 2
18 1 7.737 . 21.5666133817 . . . . . . . . . . . 51406 2
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18 3 30.206 . 122.5331527890 . . . . . . . . . . . 51406 2
19 1 7.970 . 37.0766560571 . . . . . . . . . . . 51406 2
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19 3 52.376 . 106.0251038430 . . . . . . . . . . . 51406 2
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21 3 56.363 . 112.1396911490 . . . . . . . . . . . 51406 2
22 1 7.653 . 20.3501026170 . . . . . . . . . . . 51406 2
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32 3 55.590 . 102.4240554170 . . . . . . . . . . . 51406 2
33 1 7.846 . 19.9907216705 . . . . . . . . . . . 51406 2
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33 3 57.330 . 111.3734018830 . . . . . . . . . . . 51406 2
34 1 7.845 . 20.3663811964 . . . . . . . . . . . 51406 2
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34 3 30.967 . 112.3067886030 . . . . . . . . . . . 51406 2
35 1 7.844 . 19.3589875678 . . . . . . . . . . . 51406 2
35 2 127.426 . 50.5621641711 . . . . . . . . . . . 51406 2
35 3 29.288 . 123.9399167670 . . . . . . . . . . . 51406 2
36 1 8.386 . 33.2083020891 . . . . . . . . . . . 51406 2
36 2 124.486 . 51.9308058468 . . . . . . . . . . . 51406 2
36 3 53.952 . 110.5497097280 . . . . . . . . . . . 51406 2
37 1 8.386 . 33.2856253416 . . . . . . . . . . . 51406 2
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38 1 8.386 . 32.9337575856 . . . . . . . . . . . 51406 2
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40 1 7.933 . 44.4614962369 . . . . . . . . . . . 51406 2
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44 1 7.441 . 20.2687097197 . . . . . . . . . . . 51406 2
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48 1 7.773 . 27.1492269861 . . . . . . . . . . . 51406 2
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49 1 7.773 . 28.1509857218 . . . . . . . . . . . 51406 2
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50 1 7.773 . 26.2642357530 . . . . . . . . . . . 51406 2
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88 3 54.036 . 141.1191077220 . . . . . . . . . . . 51406 2
89 1 8.160 . 39.2658119442 . . . . . . . . . . . 51406 2
89 2 125.189 . 54.9875425570 . . . . . . . . . . . 51406 2
89 3 52.752 . 114.3528477810 . . . . . . . . . . . 51406 2
90 1 8.161 . 41.9107680561 . . . . . . . . . . . 51406 2
90 2 125.210 . 55.9000073531 . . . . . . . . . . . 51406 2
90 3 18.811 . 114.2553415020 . . . . . . . . . . . 51406 2
91 1 8.160 . 39.2460898191 . . . . . . . . . . . 51406 2
91 2 125.242 . 54.4143697248 . . . . . . . . . . . 51406 2
91 3 41.058 . 121.1263888110 . . . . . . . . . . . 51406 2
92 1 8.114 . 71.6924291699 . . . . . . . . . . . 51406 2
92 2 123.597 . 71.5313476528 . . . . . . . . . . . 51406 2
92 3 56.048 . 123.5133267960 . . . . . . . . . . . 51406 2
93 1 8.117 . 70.2426964495 . . . . . . . . . . . 51406 2
93 2 123.698 . 71.1429403365 . . . . . . . . . . . 51406 2
93 3 53.653 . 108.5064027430 . . . . . . . . . . . 51406 2
94 1 8.116 . 81.7982965157 . . . . . . . . . . . 51406 2
94 2 123.698 . 77.6186903732 . . . . . . . . . . . 51406 2
94 3 41.602 . 273.3737938010 . . . . . . . . . . . 51406 2
95 1 8.116 . 77.4944905473 . . . . . . . . . . . 51406 2
95 2 123.698 . 70.5243903964 . . . . . . . . . . . 51406 2
95 3 40.711 . 292.8892037480 . . . . . . . . . . . 51406 2
96 1 8.156 . 30.0111264742 . . . . . . . . . . . 51406 2
96 2 124.450 . 60.8004389032 . . . . . . . . . . . 51406 2
96 3 54.960 . 219.3498108190 . . . . . . . . . . . 51406 2
97 1 8.155 . 28.9790019268 . . . . . . . . . . . 51406 2
97 2 124.471 . 67.3095740552 . . . . . . . . . . . 51406 2
97 3 55.542 . 262.9925204460 . . . . . . . . . . . 51406 2
98 1 8.154 . 35.2021150228 . . . . . . . . . . . 51406 2
98 2 124.437 . 73.8312933970 . . . . . . . . . . . 51406 2
98 3 41.784 . 113.6176189840 . . . . . . . . . . . 51406 2
99 1 8.154 . 36.7122663169 . . . . . . . . . . . 51406 2
99 2 124.416 . 66.2117145337 . . . . . . . . . . . 51406 2
99 3 29.191 . 117.7278231820 . . . . . . . . . . . 51406 2
100 1 7.920 . 40.9979154082 . . . . . . . . . . . 51406 2
100 2 120.603 . 70.5480042584 . . . . . . . . . . . 51406 2
100 3 57.915 . 293.8768479940 . . . . . . . . . . . 51406 2
102 1 7.915 . 51.2731425902 . . . . . . . . . . . 51406 2
102 2 120.641 . 80.4621990913 . . . . . . . . . . . 51406 2
102 3 38.582 . 117.8905957610 . . . . . . . . . . . 51406 2
103 1 7.916 . 43.0358683362 . . . . . . . . . . . 51406 2
103 2 120.972 . 69.9199051390 . . . . . . . . . . . 51406 2
103 3 28.881 . 131.1380819150 . . . . . . . . . . . 51406 2
104 1 8.270 . 23.2852557126 . . . . . . . . . . . 51406 2
104 2 126.819 . 60.8072121583 . . . . . . . . . . . 51406 2
104 3 54.138 . 108.0169054950 . . . . . . . . . . . 51406 2
105 1 8.274 . 27.3120127806 . . . . . . . . . . . 51406 2
105 2 126.900 . 66.9162440999 . . . . . . . . . . . 51406 2
105 3 40.752 . 108.9184454060 . . . . . . . . . . . 51406 2
106 1 8.263 . 26.5049708992 . . . . . . . . . . . 51406 2
106 2 126.844 . 55.1023547826 . . . . . . . . . . . 51406 2
106 3 40.052 . 69.5951066734 . . . . . . . . . . . 51406 2
107 1 7.619 . 64.7624500659 . . . . . . . . . . . 51406 2
107 2 127.028 . 58.0604166399 . . . . . . . . . . . 51406 2
107 3 39.108 . 111.6391851280 . . . . . . . . . . . 51406 2
108 1 7.644 . 94.2401400133 . . . . . . . . . . . 51406 2
108 2 126.533 . 71.7946163055 . . . . . . . . . . . 51406 2
108 3 58.904 . 96.3920339116 . . . . . . . . . . . 51406 2
110 1 7.645 . 81.5829183875 . . . . . . . . . . . 51406 2
110 2 126.533 . 75.8475766985 . . . . . . . . . . . 51406 2
110 3 39.108 . 103.8779998520 . . . . . . . . . . . 51406 2
112 1 8.037 . 61.7831569760 . . . . . . . . . . . 51406 2
112 2 120.750 . 92.9902041663 . . . . . . . . . . . 51406 2
112 3 40.618 . 124.3802677040 . . . . . . . . . . . 51406 2
113 1 8.031 . 51.0652776526 . . . . . . . . . . . 51406 2
113 2 120.747 . 63.4773181436 . . . . . . . . . . . 51406 2
113 3 54.399 . 115.6164977040 . . . . . . . . . . . 51406 2
114 1 8.036 . 40.9284183959 . . . . . . . . . . . 51406 2
114 2 120.815 . 79.9840739042 . . . . . . . . . . . 51406 2
114 3 30.746 . 126.3940869030 . . . . . . . . . . . 51406 2
115 1 7.907 . 53.0853867531 . . . . . . . . . . . 51406 2
115 2 120.809 . 90.8494114106 . . . . . . . . . . . 51406 2
115 3 55.858 . 135.8191696510 . . . . . . . . . . . 51406 2
116 1 7.945 . 31.9376337428 . . . . . . . . . . . 51406 2
116 2 122.316 . 52.4838439754 . . . . . . . . . . . 51406 2
116 3 54.750 . 165.1587303840 . . . . . . . . . . . 51406 2
117 1 7.948 . 26.9563884294 . . . . . . . . . . . 51406 2
117 2 122.370 . 46.5638709791 . . . . . . . . . . . 51406 2
117 3 53.948 . 330.5942527850 . . . . . . . . . . . 51406 2
118 1 7.945 . 27.4450588627 . . . . . . . . . . . 51406 2
118 2 122.391 . 48.8573025544 . . . . . . . . . . . 51406 2
118 3 42.000 . 121.6956996670 . . . . . . . . . . . 51406 2
119 1 7.948 . 34.7845068499 . . . . . . . . . . . 51406 2
119 2 122.273 . 58.6318128807 . . . . . . . . . . . 51406 2
119 3 40.722 . 150.8492907620 . . . . . . . . . . . 51406 2
120 1 7.836 . 46.4800400894 . . . . . . . . . . . 51406 2
120 2 119.656 . 60.8278280221 . . . . . . . . . . . 51406 2
120 3 56.144 . 302.2922689490 . . . . . . . . . . . 51406 2
121 1 7.844 . 44.1578381202 . . . . . . . . . . . 51406 2
121 2 119.628 . 61.7466219254 . . . . . . . . . . . 51406 2
121 3 30.812 . 113.1811997510 . . . . . . . . . . . 51406 2
122 1 7.970 . 28.8252945708 . . . . . . . . . . . 51406 2
122 2 122.697 . 53.9155546493 . . . . . . . . . . . 51406 2
122 3 47.338 . 120.5531462520 . . . . . . . . . . . 51406 2
123 1 7.884 . 24.5621850511 . . . . . . . . . . . 51406 2
123 2 123.501 . 59.9347946955 . . . . . . . . . . . 51406 2
123 3 56.120 . 115.3550393350 . . . . . . . . . . . 51406 2
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 . . 8.071 . . 1 . . . . . . . . . . . . . . . . 1 . 51406 2
1 2 1 . . 123.434 . . 1 . . . . . . . . . . . . . . . . 2 . 51406 2
1 3 1 . . 56.123 . . 1 . . . . . . . . . . . . . . . . 102 . 51406 2
2 1 1 . . 8.068 . . 1 . . . . . . . . . . . . . . . . 1 . 51406 2
2 2 1 . . 123.391 . . 1 . . . . . . . . . . . . . . . . 2 . 51406 2
2 3 1 . . 53.822 . . 1 . . . . . . . . . . . . . . . . 103 . 51406 2
3 1 1 . . 8.070 . . 1 . . . . . . . . . . . . . . . . 1 . 51406 2
3 2 1 . . 123.436 . . 1 . . . . . . . . . . . . . . . . 2 . 51406 2
3 3 1 . . 41.615 . . 1 . . . . . . . . . . . . . . . . 104 . 51406 2
4 1 1 . . 8.071 . . 1 . . . . . . . . . . . . . . . . 1 . 51406 2
4 2 1 . . 123.424 . . 1 . . . . . . . . . . . . . . . . 2 . 51406 2
4 3 1 . . 40.700 . . 1 . . . . . . . . . . . . . . . . 105 . 51406 2
5 1 1 . . 7.575 . . 1 . 1 1 38 GLY H . . . . . . . . . . 3 . 51406 2
5 2 1 . . 115.139 . . 1 . 1 1 38 GLY N . . . . . . . . . . 4 . 51406 2
5 3 1 . . 45.767 . . 1 . 1 1 38 GLY CA . . . . . . . . . . 107 . 51406 2
6 1 1 . . 7.581 . . 1 . 1 1 38 GLY H . . . . . . . . . . 3 . 51406 2
6 2 1 . . 114.733 . . 1 . 1 1 38 GLY N . . . . . . . . . . 4 . 51406 2
6 3 1 . . 54.989 . . 1 . 1 1 37 LEU CA . . . . . . . . . . 108 . 51406 2
7 1 1 . . 7.574 . . 1 . 1 1 38 GLY H . . . . . . . . . . 3 . 51406 2
7 2 1 . . 115.070 . . 1 . 1 1 38 GLY N . . . . . . . . . . 4 . 51406 2
7 3 1 . . 42.192 . . 1 . 1 1 37 LEU CB . . . . . . . . . . 240 . 51406 2
8 1 1 . . 7.884 . . 1 . . . . . . . . . . . . . . . . 5 . 51406 2
8 2 1 . . 123.277 . . 1 . . . . . . . . . . . . . . . . 6 . 51406 2
8 3 1 . . 59.937 . . 1 . . . . . . . . . . . . . . . . 109 . 51406 2
9 1 1 . . 7.884 . . 1 . . . . . . . . . . . . . . . . 5 . 51406 2
9 2 1 . . 123.274 . . 1 . . . . . . . . . . . . . . . . 6 . 51406 2
9 3 1 . . 64.479 . . 1 . . . . . . . . . . . . . . . . 110 . 51406 2
10 1 1 . . 7.884 . . 1 . . . . . . . . . . . . . . . . 5 . 51406 2
10 2 1 . . 123.320 . . 1 . . . . . . . . . . . . . . . . 6 . 51406 2
10 3 1 . . 32.842 . . 1 . . . . . . . . . . . . . . . . 112 . 51406 2
11 1 1 . . 7.814 . . 1 . 1 1 25 ASN H . . . . . . . . . . 7 . 51406 2
11 2 1 . . 124.291 . . 1 . 1 1 25 ASN N . . . . . . . . . . 8 . 51406 2
11 3 2 . . 54.557 . . 1 . 1 1 25 ASN CA . . . . . . . . . . 114 . 51406 2
12 1 1 . . 7.813 . . 1 . 1 1 25 ASN H . . . . . . . . . . 7 . 51406 2
12 2 1 . . 124.291 . . 1 . 1 1 25 ASN N . . . . . . . . . . 8 . 51406 2
12 3 2 . . 54.782 . . 1 . 1 1 24 LEU CA . . . . . . . . . . 115 . 51406 2
13 1 1 . . 7.813 . . 1 . 1 1 25 ASN H . . . . . . . . . . 7 . 51406 2
13 2 1 . . 124.283 . . 1 . 1 1 25 ASN N . . . . . . . . . . 8 . 51406 2
13 3 1 . . 40.067 . . 1 . 1 1 25 ASN CB . . . . . . . . . . 116 . 51406 2
14 1 1 . . 7.813 . . 1 . 1 1 25 ASN H . . . . . . . . . . 7 . 51406 2
14 2 1 . . 124.263 . . 1 . 1 1 25 ASN N . . . . . . . . . . 8 . 51406 2
14 3 1 . . 41.874 . . 1 . 1 1 24 LEU CB . . . . . . . . . . 117 . 51406 2
15 1 1 . . 7.738 . . 1 . 1 1 18 LYS H . . . . . . . . . . 9 . 51406 2
15 2 1 . . 127.929 . . 1 . 1 1 18 LYS N . . . . . . . . . . 10 . 51406 2
15 3 1 . . 57.437 . . 1 . 1 1 18 LYS CA . . . . . . . . . . 122 . 51406 2
16 1 1 . . 7.738 . . 1 . 1 1 18 LYS H . . . . . . . . . . 9 . 51406 2
16 2 1 . . 127.880 . . 1 . 1 1 18 LYS N . . . . . . . . . . 10 . 51406 2
16 3 1 . . 55.793 . . 1 . 1 1 17 ARG CA . . . . . . . . . . 123 . 51406 2
17 1 1 . . 7.738 . . 1 . 1 1 18 LYS H . . . . . . . . . . 9 . 51406 2
17 2 1 . . 127.930 . . 1 . 1 1 18 LYS N . . . . . . . . . . 10 . 51406 2
17 3 1 . . 33.227 . . 1 . 1 1 18 LYS CB . . . . . . . . . . 124 . 51406 2
18 1 1 . . 7.737 . . 1 . 1 1 18 LYS H . . . . . . . . . . 9 . 51406 2
18 2 1 . . 127.872 . . 1 . 1 1 18 LYS N . . . . . . . . . . 10 . 51406 2
18 3 1 . . 30.206 . . 1 . 1 1 17 ARG CB . . . . . . . . . . 125 . 51406 2
19 1 1 . . 7.970 . . 1 . . . . . . . . . . . . . . . . 17 . 51406 2
19 2 1 . . 122.724 . . 1 . . . . . . . . . . . . . . . . 18 . 51406 2
19 3 1 . . 52.376 . . 1 . . . . . . . . . . . . . . . . 129 . 51406 2
20 1 1 . . 7.964 . . 1 . . . . . . . . . . . . . . . . 17 . 51406 2
20 2 1 . . 122.701 . . 1 . . . . . . . . . . . . . . . . 18 . 51406 2
20 3 1 . . 18.839 . . 1 . . . . . . . . . . . . . . . . 130 . 51406 2
21 1 1 . . 7.653 . . 1 . 1 1 44 LEU H . . . . . . . . . . 19 . 51406 2
21 2 1 . . 128.684 . . 1 . 1 1 44 LEU N . . . . . . . . . . 20 . 51406 2
21 3 1 . . 56.363 . . 1 . 1 1 44 LEU CA . . . . . . . . . . 131 . 51406 2
22 1 1 . . 7.653 . . 1 . 1 1 44 LEU H . . . . . . . . . . 19 . 51406 2
22 2 1 . . 128.690 . . 1 . 1 1 44 LEU N . . . . . . . . . . 20 . 51406 2
22 3 1 . . 54.880 . . 1 . 1 1 43 LEU CA . . . . . . . . . . 132 . 51406 2
23 1 1 . . 7.653 . . 1 . 1 1 44 LEU H . . . . . . . . . . 19 . 51406 2
23 2 1 . . 128.692 . . 1 . 1 1 44 LEU N . . . . . . . . . . 20 . 51406 2
23 3 1 . . 43.000 . . 1 . 1 1 44 LEU CB . . . . . . . . . . 133 . 51406 2
24 1 1 . . 7.653 . . 1 . 1 1 44 LEU H . . . . . . . . . . 19 . 51406 2
24 2 1 . . 128.675 . . 1 . 1 1 44 LEU N . . . . . . . . . . 20 . 51406 2
24 3 1 . . 41.788 . . 1 . 1 1 43 LEU CB . . . . . . . . . . 134 . 51406 2
25 1 1 . . 7.806 . . 1 . 1 1 11 ASN H . . . . . . . . . . 21 . 51406 2
25 2 1 . . 119.847 . . 1 . 1 1 11 ASN N . . . . . . . . . . 22 . 51406 2
25 3 1 . . 55.400 . . 1 . 1 1 11 ASN CA . . . . . . . . . . 140 . 51406 2
26 1 1 . . 7.806 . . 1 . 1 1 11 ASN H . . . . . . . . . . 21 . 51406 2
26 2 1 . . 119.875 . . 1 . 1 1 11 ASN N . . . . . . . . . . 22 . 51406 2
26 3 1 . . 52.777 . . 1 . 1 1 10 ALA CA . . . . . . . . . . 216 . 51406 2
27 1 1 . . 7.806 . . 1 . 1 1 11 ASN H . . . . . . . . . . 21 . 51406 2
27 2 1 . . 119.823 . . 1 . 1 1 11 ASN N . . . . . . . . . . 22 . 51406 2
27 3 1 . . 41.775 . . 1 . 1 1 11 ASN CB . . . . . . . . . . 141 . 51406 2
28 1 1 . . 7.806 . . 1 . 1 1 11 ASN H . . . . . . . . . . 21 . 51406 2
28 2 1 . . 119.863 . . 1 . 1 1 11 ASN N . . . . . . . . . . 22 . 51406 2
28 3 1 . . 18.655 . . 1 . . . . . . . . . . . . . . . . 142 . 51406 2
29 1 1 . . 7.621 . . 1 . . . . . . . . . . . . . . . . 25 . 51406 2
29 2 1 . . 127.025 . . 1 . . . . . . . . . . . . . . . . 26 . 51406 2
29 3 1 . . 58.959 . . 1 . . . . . . . . . . . . . . . . 143 . 51406 2
30 1 1 . . 7.623 . . 1 . . . . . . . . . . . . . . . . 25 . 51406 2
30 2 1 . . 127.031 . . 1 . . . . . . . . . . . . . . . . 26 . 51406 2
30 3 1 . . 61.407 . . 1 . . . . . . . . . . . . . . . . 144 . 51406 2
31 1 1 . . 7.617 . . 1 . . . . . . . . . . . . . . . . 25 . 51406 2
31 2 1 . . 127.081 . . 1 . . . . . . . . . . . . . . . . 26 . 51406 2
31 3 1 . . 69.738 . . 1 . . . . . . . . . . . . . . . . 145 . 51406 2
32 1 1 . . 7.847 . . 1 . 1 1 35 ARG H . . . . . . . . . . 27 . 51406 2
32 2 1 . . 127.430 . . 1 . 1 1 35 ARG N . . . . . . . . . . 28 . 51406 2
32 3 1 . . 55.590 . . 1 . 1 1 34 GLN CA . . . . . . . . . . 148 . 51406 2
33 1 1 . . 7.846 . . 1 . 1 1 35 ARG H . . . . . . . . . . 27 . 51406 2
33 2 1 . . 127.464 . . 1 . 1 1 35 ARG N . . . . . . . . . . 28 . 51406 2
33 3 1 . . 57.330 . . 1 . 1 1 35 ARG CA . . . . . . . . . . 147 . 51406 2
34 1 1 . . 7.845 . . 1 . 1 1 35 ARG H . . . . . . . . . . 27 . 51406 2
34 2 1 . . 127.460 . . 1 . 1 1 35 ARG N . . . . . . . . . . 28 . 51406 2
34 3 1 . . 30.967 . . 1 . 1 1 35 ARG CB . . . . . . . . . . 149 . 51406 2
35 1 1 . . 7.844 . . 1 . 1 1 35 ARG H . . . . . . . . . . 27 . 51406 2
35 2 1 . . 127.426 . . 1 . 1 1 35 ARG N . . . . . . . . . . 28 . 51406 2
35 3 1 . . 29.288 . . 1 . 1 1 34 GLN CB . . . . . . . . . . 150 . 51406 2
36 1 1 . . 8.386 . . 1 . 1 1 9 ASP H . . . . . . . . . . 31 . 51406 2
36 2 1 . . 124.486 . . 1 . 1 1 9 ASP N . . . . . . . . . . 32 . 51406 2
36 3 1 . . 53.952 . . 1 . 1 1 9 ASP CA . . . . . . . . . . 153 . 51406 2
37 1 1 . . 8.386 . . 1 . 1 1 9 ASP H . . . . . . . . . . 31 . 51406 2
37 2 1 . . 124.481 . . 1 . 1 1 9 ASP N . . . . . . . . . . 32 . 51406 2
37 3 1 . . 61.995 . . 1 . 1 1 8 VAL CA . . . . . . . . . . 154 . 51406 2
38 1 1 . . 8.386 . . 1 . 1 1 9 ASP H . . . . . . . . . . 31 . 51406 2
38 2 1 . . 124.471 . . 1 . 1 1 9 ASP N . . . . . . . . . . 32 . 51406 2
38 3 1 . . 41.090 . . 1 . 1 1 9 ASP CB . . . . . . . . . . 155 . 51406 2
39 1 1 . . 8.387 . . 1 . 1 1 9 ASP H . . . . . . . . . . 31 . 51406 2
39 2 1 . . 124.464 . . 1 . 1 1 9 ASP N . . . . . . . . . . 32 . 51406 2
39 3 1 . . 32.638 . . 1 . 1 1 8 VAL CB . . . . . . . . . . 156 . 51406 2
40 1 1 . . 7.933 . . 1 . 1 1 13 HIS H . . . . . . . . . . 35 . 51406 2
40 2 1 . . 120.104 . . 1 . 1 1 13 HIS N . . . . . . . . . . 36 . 51406 2
40 3 5 . . 56.791 . . 1 . 1 1 13 HIS CA . . . . . . . . . . 242 . 51406 2
41 1 1 . . 7.931 . . 1 . 1 1 13 HIS H . . . . . . . . . . 35 . 51406 2
41 2 1 . . 120.134 . . 1 . 1 1 13 HIS N . . . . . . . . . . 36 . 51406 2
41 3 1 . . 54.223 . . 1 . 1 1 12 ASP CA . . . . . . . . . . 159 . 51406 2
42 1 1 . . 7.930 . . 1 . 1 1 13 HIS H . . . . . . . . . . 35 . 51406 2
42 2 1 . . 120.164 . . 1 . 1 1 13 HIS N . . . . . . . . . . 36 . 51406 2
42 3 1 . . 40.650 . . 1 . 1 1 12 ASP CB . . . . . . . . . . 160 . 51406 2
43 1 1 . . 7.932 . . 1 . 1 1 13 HIS H . . . . . . . . . . 35 . 51406 2
43 2 1 . . 120.127 . . 1 . 1 1 13 HIS N . . . . . . . . . . 36 . 51406 2
43 3 3 . . 30.772 . . 1 . 1 1 13 HIS CB . . . . . . . . . . 244 . 51406 2
44 1 1 . . 7.441 . . 1 . 1 1 26 ALA H . . . . . . . . . . 39 . 51406 2
44 2 1 . . 129.096 . . 1 . 1 1 26 ALA N . . . . . . . . . . 40 . 51406 2
44 3 1 . . 53.799 . . 1 . 1 1 26 ALA CA . . . . . . . . . . 161 . 51406 2
45 1 1 . . 7.441 . . 1 . 1 1 26 ALA H . . . . . . . . . . 39 . 51406 2
45 2 1 . . 129.079 . . 1 . 1 1 26 ALA N . . . . . . . . . . 40 . 51406 2
45 3 1 . . 52.956 . . 1 . . . . . . . . . . . . . . . . 162 . 51406 2
46 1 1 . . 7.441 . . 1 . 1 1 26 ALA H . . . . . . . . . . 39 . 51406 2
46 2 1 . . 129.094 . . 1 . 1 1 26 ALA N . . . . . . . . . . 40 . 51406 2
46 3 1 . . 19.645 . . 1 . 1 1 26 ALA CB . . . . . . . . . . 163 . 51406 2
47 1 1 . . 7.442 . . 1 . 1 1 26 ALA H . . . . . . . . . . 39 . 51406 2
47 2 1 . . 129.083 . . 1 . 1 1 26 ALA N . . . . . . . . . . 40 . 51406 2
47 3 1 . . 38.751 . . 1 . . . . . . . . . . . . . . . . 164 . 51406 2
48 1 1 . . 7.773 . . 1 . 1 1 8 VAL H . . . . . . . . . . 43 . 51406 2
48 2 1 . . 123.000 . . 1 . 1 1 8 VAL N . . . . . . . . . . 44 . 51406 2
48 3 1 . . 61.962 . . 1 . 1 1 8 VAL CA . . . . . . . . . . 154 . 51406 2
49 1 1 . . 7.773 . . 1 . 1 1 8 VAL H . . . . . . . . . . 43 . 51406 2
49 2 1 . . 122.985 . . 1 . 1 1 8 VAL N . . . . . . . . . . 44 . 51406 2
49 3 1 . . 56.346 . . 1 . 1 1 7 HIS CA . . . . . . . . . . 166 . 51406 2
50 1 1 . . 7.773 . . 1 . 1 1 8 VAL H . . . . . . . . . . 43 . 51406 2
50 2 1 . . 123.012 . . 1 . 1 1 8 VAL N . . . . . . . . . . 44 . 51406 2
50 3 1 . . 32.717 . . 1 . 1 1 8 VAL CB . . . . . . . . . . 156 . 51406 2
51 1 1 . . 7.774 . . 1 . 1 1 8 VAL H . . . . . . . . . . 43 . 51406 2
51 2 1 . . 122.992 . . 1 . 1 1 8 VAL N . . . . . . . . . . 44 . 51406 2
51 3 1 . . 31.295 . . 1 . 1 1 7 HIS CB . . . . . . . . . . 167 . 51406 2
52 1 1 . . 7.533 . . 1 . . . . . . . . . . . . . . . . 45 . 51406 2
52 2 1 . . 127.463 . . 1 . . . . . . . . . . . . . . . . 46 . 51406 2
52 3 1 . . 54.032 . . 1 . . . . . . . . . . . . . . . . 171 . 51406 2
53 1 1 . . 7.532 . . 1 . . . . . . . . . . . . . . . . 45 . 51406 2
53 2 1 . . 127.466 . . 1 . . . . . . . . . . . . . . . . 46 . 51406 2
53 3 1 . . 56.528 . . 1 . . . . . . . . . . . . . . . . 170 . 51406 2
54 1 1 . . 7.532 . . 1 . . . . . . . . . . . . . . . . 45 . 51406 2
54 2 1 . . 127.484 . . 1 . . . . . . . . . . . . . . . . 46 . 51406 2
54 3 1 . . 43.009 . . 1 . . . . . . . . . . . . . . . . 172 . 51406 2
55 1 1 . . 7.533 . . 1 . . . . . . . . . . . . . . . . 45 . 51406 2
55 2 1 . . 127.454 . . 1 . . . . . . . . . . . . . . . . 46 . 51406 2
55 3 1 . . 40.610 . . 1 . . . . . . . . . . . . . . . . 173 . 51406 2
56 1 1 . . 7.613 . . 1 . 1 1 31 THR H . . . . . . . . . . 51 . 51406 2
56 2 1 . . 121.183 . . 1 . 1 1 31 THR N . . . . . . . . . . 52 . 51406 2
56 3 1 . . 63.060 . . 1 . 1 1 30 THR CA . . . . . . . . . . 205 . 51406 2
57 1 1 . . 7.612 . . 1 . 1 1 31 THR H . . . . . . . . . . 51 . 51406 2
57 2 1 . . 121.136 . . 1 . 1 1 31 THR N . . . . . . . . . . 52 . 51406 2
57 3 1 . . 61.599 . . 1 . 1 1 31 THR CA . . . . . . . . . . 174 . 51406 2
58 1 1 . . 7.613 . . 1 . 1 1 31 THR H . . . . . . . . . . 51 . 51406 2
58 2 1 . . 121.173 . . 1 . 1 1 31 THR N . . . . . . . . . . 52 . 51406 2
58 3 1 . . 70.495 . . 1 . . . . . . . . . . . . . . . . 175 . 51406 2
59 1 1 . . 7.613 . . 1 . 1 1 31 THR H . . . . . . . . . . 51 . 51406 2
59 2 1 . . 121.189 . . 1 . 1 1 31 THR N . . . . . . . . . . 52 . 51406 2
59 3 1 . . 69.703 . . 1 . 1 1 31 THR CB . . . . . . . . . . 176 . 51406 2
60 1 1 . . 7.884 . . 1 . 1 1 20 GLN H . . . . . . . . . . 55 . 51406 2
60 2 1 . . 126.785 . . 1 . 1 1 20 GLN N . . . . . . . . . . 56 . 51406 2
60 3 1 . . 57.139 . . 1 . 1 1 20 GLN CA . . . . . . . . . . 179 . 51406 2
61 1 1 . . 7.887 . . 1 . 1 1 20 GLN H . . . . . . . . . . 55 . 51406 2
61 2 1 . . 126.789 . . 1 . 1 1 20 GLN N . . . . . . . . . . 56 . 51406 2
61 3 1 . . 58.220 . . 1 . 1 1 19 SER CA . . . . . . . . . . 180 . 51406 2
62 1 1 . . 7.883 . . 1 . 1 1 20 GLN H . . . . . . . . . . 55 . 51406 2
62 2 1 . . 126.746 . . 1 . 1 1 20 GLN N . . . . . . . . . . 56 . 51406 2
62 3 1 . . 63.571 . . 1 . 1 1 19 SER CB . . . . . . . . . . 181 . 51406 2
63 1 1 . . 7.883 . . 1 . 1 1 20 GLN H . . . . . . . . . . 55 . 51406 2
63 2 1 . . 126.808 . . 1 . 1 1 20 GLN N . . . . . . . . . . 56 . 51406 2
63 3 1 . . 30.020 . . 1 . 1 1 20 GLN CB . . . . . . . . . . 182 . 51406 2
64 1 1 . . 7.491 . . 1 . 1 1 28 HIS H . . . . . . . . . . 60 . 51406 2
64 2 1 . . 124.867 . . 1 . 1 1 28 HIS N . . . . . . . . . . 61 . 51406 2
64 3 1 . . 57.420 . . 1 . 1 1 28 HIS CA . . . . . . . . . . 184 . 51406 2
65 1 1 . . 7.483 . . 1 . 1 1 28 HIS H . . . . . . . . . . 60 . 51406 2
65 2 1 . . 125.023 . . 1 . 1 1 28 HIS N . . . . . . . . . . 61 . 51406 2
65 3 1 . . 54.975 . . 1 . 1 1 27 LEU CA . . . . . . . . . . 185 . 51406 2
66 1 1 . . 7.488 . . 1 . 1 1 28 HIS H . . . . . . . . . . 60 . 51406 2
66 2 1 . . 125.231 . . 1 . 1 1 28 HIS N . . . . . . . . . . 61 . 51406 2
66 3 1 . . 41.840 . . 1 . 1 1 27 LEU CB . . . . . . . . . . 186 . 51406 2
67 1 1 . . 7.489 . . 1 . 1 1 28 HIS H . . . . . . . . . . 60 . 51406 2
67 2 1 . . 124.974 . . 1 . 1 1 28 HIS N . . . . . . . . . . 61 . 51406 2
67 3 1 . . 31.450 . . 1 . 1 1 28 HIS CB . . . . . . . . . . 187 . 51406 2
68 1 1 . . 7.593 . . 1 . 1 1 22 TYR H . . . . . . . . . . 62 . 51406 2
68 2 1 . . 126.276 . . 1 . 1 1 22 TYR N . . . . . . . . . . 63 . 51406 2
68 3 1 . . 55.418 . . 1 . 1 1 21 GLN CA . . . . . . . . . . 190 . 51406 2
69 1 1 . . 7.591 . . 1 . 1 1 22 TYR H . . . . . . . . . . 62 . 51406 2
69 2 1 . . 126.395 . . 1 . 1 1 22 TYR N . . . . . . . . . . 63 . 51406 2
69 3 1 . . 58.903 . . 1 . 1 1 22 TYR CA . . . . . . . . . . 189 . 51406 2
70 1 1 . . 7.591 . . 1 . 1 1 22 TYR H . . . . . . . . . . 62 . 51406 2
70 2 1 . . 126.383 . . 1 . 1 1 22 TYR N . . . . . . . . . . 63 . 51406 2
70 3 1 . . 39.121 . . 1 . 1 1 22 TYR CB . . . . . . . . . . 191 . 51406 2
71 1 1 . . 7.594 . . 1 . 1 1 22 TYR H . . . . . . . . . . 62 . 51406 2
71 2 1 . . 126.261 . . 1 . 1 1 22 TYR N . . . . . . . . . . 63 . 51406 2
71 3 1 . . 29.327 . . 1 . 1 1 21 GLN CB . . . . . . . . . . 192 . 51406 2
72 1 1 . . 7.573 . . 1 . 1 1 6 TYR H . . . . . . . . . . 64 . 51406 2
72 2 1 . . 126.748 . . 1 . 1 1 6 TYR N . . . . . . . . . . 65 . 51406 2
72 3 1 . . 58.915 . . 1 . 1 1 6 TYR CA . . . . . . . . . . 195 . 51406 2
73 1 1 . . 7.569 . . 1 . 1 1 6 TYR H . . . . . . . . . . 64 . 51406 2
73 2 1 . . 126.783 . . 1 . 1 1 6 TYR N . . . . . . . . . . 65 . 51406 2
73 3 1 . . 61.464 . . 1 . 1 1 5 THR CA . . . . . . . . . . 196 . 51406 2
74 1 1 . . 7.569 . . 1 . 1 1 6 TYR H . . . . . . . . . . 64 . 51406 2
74 2 1 . . 126.835 . . 1 . 1 1 6 TYR N . . . . . . . . . . 65 . 51406 2
74 3 1 . . 69.704 . . 1 . 1 1 5 THR CB . . . . . . . . . . 197 . 51406 2
75 1 1 . . 7.575 . . 1 . 1 1 6 TYR H . . . . . . . . . . 64 . 51406 2
75 2 1 . . 126.716 . . 1 . 1 1 6 TYR N . . . . . . . . . . 65 . 51406 2
75 3 1 . . 39.091 . . 1 . 1 1 6 TYR CB . . . . . . . . . . 198 . 51406 2
76 1 1 . . 7.953 . . 1 . . . . . . . . . . . . . . . . 90 . 51406 2
76 2 1 . . 123.597 . . 1 . . . . . . . . . . . . . . . . 91 . 51406 2
76 3 1 . . 54.815 . . 1 . . . . . . . . . . . . . . . . 201 . 51406 2
77 1 1 . . 7.953 . . 1 . . . . . . . . . . . . . . . . 90 . 51406 2
77 2 1 . . 123.501 . . 1 . . . . . . . . . . . . . . . . 91 . 51406 2
77 3 1 . . 52.194 . . 1 . . . . . . . . . . . . . . . . 202 . 51406 2
78 1 1 . . 7.952 . . 1 . . . . . . . . . . . . . . . . 90 . 51406 2
78 2 1 . . 123.629 . . 1 . . . . . . . . . . . . . . . . 91 . 51406 2
78 3 1 . . 40.226 . . 1 . . . . . . . . . . . . . . . . 203 . 51406 2
79 1 1 . . 7.954 . . 1 . . . . . . . . . . . . . . . . 90 . 51406 2
79 2 1 . . 123.723 . . 1 . . . . . . . . . . . . . . . . 91 . 51406 2
79 3 1 . . 19.229 . . 1 . . . . . . . . . . . . . . . . 204 . 51406 2
80 1 1 . . 7.655 . . 1 . 1 1 30 THR H . . . . . . . . . . 86 . 51406 2
80 2 1 . . 120.869 . . 1 . 1 1 30 THR N . . . . . . . . . . 87 . 51406 2
80 3 1 . . 63.103 . . 1 . 1 1 30 THR CA . . . . . . . . . . 205 . 51406 2
81 1 1 . . 7.655 . . 1 . 1 1 30 THR H . . . . . . . . . . 86 . 51406 2
81 2 1 . . 120.860 . . 1 . 1 1 30 THR N . . . . . . . . . . 87 . 51406 2
81 3 1 . . 70.425 . . 1 . 1 1 30 THR CB . . . . . . . . . . 206 . 51406 2
82 1 1 . . 7.656 . . 1 . 1 1 30 THR H . . . . . . . . . . 86 . 51406 2
82 2 1 . . 120.914 . . 1 . 1 1 30 THR N . . . . . . . . . . 87 . 51406 2
82 3 1 . . 55.955 . . 1 . 1 1 29 LYS CA . . . . . . . . . . 207 . 51406 2
83 1 1 . . 7.654 . . 1 . 1 1 30 THR H . . . . . . . . . . 86 . 51406 2
83 2 1 . . 120.895 . . 1 . 1 1 30 THR N . . . . . . . . . . 87 . 51406 2
83 3 1 . . 32.851 . . 1 . 1 1 29 LYS CB . . . . . . . . . . 208 . 51406 2
84 1 1 . . 7.879 . . 1 . 1 1 32 LYS H . . . . . . . . . . 72 . 51406 2
84 2 1 . . 128.802 . . 1 . 1 1 32 LYS N . . . . . . . . . . 73 . 51406 2
84 3 1 . . 57.656 . . 1 . 1 1 32 LYS CA . . . . . . . . . . 212 . 51406 2
85 1 1 . . 7.880 . . 1 . 1 1 32 LYS H . . . . . . . . . . 72 . 51406 2
85 2 1 . . 128.818 . . 1 . 1 1 32 LYS N . . . . . . . . . . 73 . 51406 2
85 3 1 . . 61.528 . . 1 . 1 1 31 THR CA . . . . . . . . . . 174 . 51406 2
86 1 1 . . 7.880 . . 1 . 1 1 32 LYS H . . . . . . . . . . 72 . 51406 2
86 2 1 . . 128.803 . . 1 . 1 1 32 LYS N . . . . . . . . . . 73 . 51406 2
86 3 1 . . 69.820 . . 1 . 1 1 31 THR CB . . . . . . . . . . 176 . 51406 2
87 1 1 . . 7.880 . . 1 . 1 1 32 LYS H . . . . . . . . . . 72 . 51406 2
87 2 1 . . 128.797 . . 1 . 1 1 32 LYS N . . . . . . . . . . 73 . 51406 2
87 3 1 . . 33.204 . . 1 . 1 1 32 LYS CB . . . . . . . . . . 213 . 51406 2
88 1 1 . . 8.166 . . 1 . 1 1 10 ALA H . . . . . . . . . . 49 . 51406 2
88 2 1 . . 125.262 . . 1 . 1 1 10 ALA N . . . . . . . . . . 50 . 51406 2
88 3 1 . . 54.036 . . 1 . . . . . . . . . . . . . . . . 217 . 51406 2
89 1 1 . . 8.160 . . 1 . 1 1 10 ALA H . . . . . . . . . . 49 . 51406 2
89 2 1 . . 125.189 . . 1 . 1 1 10 ALA N . . . . . . . . . . 50 . 51406 2
89 3 1 . . 52.752 . . 1 . 1 1 10 ALA CA . . . . . . . . . . 216 . 51406 2
90 1 1 . . 8.161 . . 1 . 1 1 10 ALA H . . . . . . . . . . 49 . 51406 2
90 2 1 . . 125.210 . . 1 . 1 1 10 ALA N . . . . . . . . . . 50 . 51406 2
90 3 1 . . 18.811 . . 1 . 1 1 10 ALA CB . . . . . . . . . . 218 . 51406 2
91 1 1 . . 8.160 . . 1 . 1 1 10 ALA H . . . . . . . . . . 49 . 51406 2
91 2 1 . . 125.242 . . 1 . 1 1 10 ALA N . . . . . . . . . . 50 . 51406 2
91 3 1 . . 41.058 . . 1 . . . . . . . . . . . . . . . . 219 . 51406 2
92 1 1 . . 8.114 . . 1 . . . . . . . . . . . . . . . . 94 . 51406 2
92 2 1 . . 123.597 . . 1 . . . . . . . . . . . . . . . . 95 . 51406 2
92 3 1 . . 56.048 . . 1 . . . . . . . . . . . . . . . . 220 . 51406 2
93 1 1 . . 8.117 . . 1 . . . . . . . . . . . . . . . . 94 . 51406 2
93 2 1 . . 123.698 . . 1 . . . . . . . . . . . . . . . . 95 . 51406 2
93 3 1 . . 53.653 . . 1 . . . . . . . . . . . . . . . . 221 . 51406 2
94 1 1 . . 8.116 . . 1 . . . . . . . . . . . . . . . . 94 . 51406 2
94 2 1 . . 123.698 . . 1 . . . . . . . . . . . . . . . . 95 . 51406 2
94 3 1 . . 41.602 . . 1 . . . . . . . . . . . . . . . . 222 . 51406 2
95 1 1 . . 8.116 . . 1 . . . . . . . . . . . . . . . . 94 . 51406 2
95 2 1 . . 123.698 . . 1 . . . . . . . . . . . . . . . . 95 . 51406 2
95 3 1 . . 40.711 . . 1 . . . . . . . . . . . . . . . . 223 . 51406 2
96 1 1 . . 8.156 . . 1 . 1 1 43 LEU H . . . . . . . . . . 78 . 51406 2
96 2 1 . . 124.450 . . 1 . 1 1 43 LEU N . . . . . . . . . . 79 . 51406 2
96 3 1 . . 54.960 . . 1 . 1 1 43 LEU CA . . . . . . . . . . 132 . 51406 2
97 1 1 . . 8.155 . . 1 . 1 1 43 LEU H . . . . . . . . . . 78 . 51406 2
97 2 1 . . 124.471 . . 1 . 1 1 43 LEU N . . . . . . . . . . 79 . 51406 2
97 3 1 . . 55.542 . . 1 . 1 1 42 GLN CA . . . . . . . . . . 225 . 51406 2
98 1 1 . . 8.154 . . 1 . 1 1 43 LEU H . . . . . . . . . . 78 . 51406 2
98 2 1 . . 124.437 . . 1 . 1 1 43 LEU N . . . . . . . . . . 79 . 51406 2
98 3 1 . . 41.784 . . 1 . 1 1 43 LEU CB . . . . . . . . . . 134 . 51406 2
99 1 1 . . 8.154 . . 1 . 1 1 43 LEU H . . . . . . . . . . 78 . 51406 2
99 2 1 . . 124.416 . . 1 . 1 1 43 LEU N . . . . . . . . . . 79 . 51406 2
99 3 1 . . 29.191 . . 1 . 1 1 42 GLN CB . . . . . . . . . . 227 . 51406 2
100 1 1 . . 7.920 . . 1 . . . . . . . . . . . . . . . . 53 . 51406 2
100 2 1 . . 120.603 . . 1 . . . . . . . . . . . . . . . . 54 . 51406 2
100 3 1 . . 57.915 . . 1 . . . . . . . . . . . . . . . . 229 . 51406 2
102 1 1 . . 7.915 . . 1 . . . . . . . . . . . . . . . . 53 . 51406 2
102 2 1 . . 120.641 . . 1 . . . . . . . . . . . . . . . . 54 . 51406 2
102 3 1 . . 38.582 . . 1 . . . . . . . . . . . . . . . . 231 . 51406 2
103 1 1 . . 7.916 . . 1 . . . . . . . . . . . . . . . . 53 . 51406 2
103 2 1 . . 120.972 . . 1 . . . . . . . . . . . . . . . . 54 . 51406 2
103 3 1 . . 28.881 . . 1 . . . . . . . . . . . . . . . . 232 . 51406 2
104 1 1 . . 8.270 . . 1 . 1 1 12 ASP H . . . . . . . . . . 41 . 51406 2
104 2 1 . . 126.819 . . 1 . 1 1 12 ASP N . . . . . . . . . . 42 . 51406 2
104 3 2 . . 54.138 . . 1 . 1 1 12 ASP CA . . . . . . . . . . 159 . 51406 2
105 1 1 . . 8.274 . . 1 . 1 1 12 ASP H . . . . . . . . . . 41 . 51406 2
105 2 1 . . 126.900 . . 1 . 1 1 12 ASP N . . . . . . . . . . 42 . 51406 2
105 3 2 . . 40.752 . . 1 . 1 1 12 ASP CB . . . . . . . . . . 160 . 51406 2
106 1 1 . . 8.263 . . 1 . 1 1 12 ASP H . . . . . . . . . . 41 . 51406 2
106 2 1 . . 126.844 . . 1 . 1 1 12 ASP N . . . . . . . . . . 42 . 51406 2
106 3 1 . . 40.052 . . 1 . . . . . . . . . . . . . . . . 236 . 51406 2
107 1 1 . . 7.619 . . 1 . . . . . . . . . . . . . . . . 25 . 51406 2
107 2 1 . . 127.028 . . 1 . . . . . . . . . . . . . . . . 26 . 51406 2
107 3 1 . . 39.108 . . 1 . . . . . . . . . . . . . . . . 237 . 51406 2
108 1 1 . . 7.644 . . 1 . . . . . . . . . . . . . . . . 11 . 51406 2
108 2 1 . . 126.533 . . 1 . . . . . . . . . . . . . . . . 12 . 51406 2
108 3 1 . . 58.904 . . 1 . . . . . . . . . . . . . . . . 238 . 51406 2
110 1 1 . . 7.645 . . 1 . . . . . . . . . . . . . . . . 11 . 51406 2
110 2 1 . . 126.533 . . 1 . . . . . . . . . . . . . . . . 12 . 51406 2
110 3 1 . . 39.108 . . 1 . . . . . . . . . . . . . . . . 239 . 51406 2
112 1 1 . . 8.037 . . 1 . 1 1 14 ASP H . . . . . . . . . . 37 . 51406 2
112 2 1 . . 120.750 . . 1 . 1 1 14 ASP N . . . . . . . . . . 38 . 51406 2
112 3 1 . . 40.618 . . 1 . 1 1 14 ASP CB . . . . . . . . . . 243 . 51406 2
113 1 1 . . 8.031 . . 1 . 1 1 14 ASP H . . . . . . . . . . 37 . 51406 2
113 2 1 . . 120.747 . . 1 . 1 1 14 ASP N . . . . . . . . . . 38 . 51406 2
113 3 1 . . 54.399 . . 1 . 1 1 14 ASP CA . . . . . . . . . . 241 . 51406 2
114 1 1 . . 8.036 . . 1 . 1 1 14 ASP H . . . . . . . . . . 37 . 51406 2
114 2 1 . . 120.815 . . 1 . 1 1 14 ASP N . . . . . . . . . . 38 . 51406 2
114 3 3 . . 30.746 . . 1 . 1 1 13 HIS CB . . . . . . . . . . 244 . 51406 2
115 1 1 . . 7.907 . . 1 . . . . . . . . . . . . . . . . 53 . 51406 2
115 2 1 . . 120.809 . . 1 . . . . . . . . . . . . . . . . 54 . 51406 2
115 3 1 . . 55.858 . . 1 . . . . . . . . . . . . . . . . 230 . 51406 2
116 1 1 . . 7.945 . . 1 . 1 1 24 LEU H . . . . . . . . . . 59 . 51406 2
116 2 1 . . 122.316 . . 1 . 1 1 24 LEU N . . . . . . . . . . 328 . 51406 2
116 3 2 . . 54.750 . . 1 . 1 1 24 LEU CA . . . . . . . . . . 115 . 51406 2
117 1 1 . . 7.948 . . 1 . 1 1 24 LEU H . . . . . . . . . . 59 . 51406 2
117 2 1 . . 122.370 . . 1 . 1 1 24 LEU N . . . . . . . . . . 328 . 51406 2
117 3 1 . . 53.948 . . 1 . 1 1 23 ASP CA . . . . . . . . . . 245 . 51406 2
118 1 1 . . 7.945 . . 1 . 1 1 24 LEU H . . . . . . . . . . 59 . 51406 2
118 2 1 . . 122.391 . . 1 . 1 1 24 LEU N . . . . . . . . . . 328 . 51406 2
118 3 2 . . 42.000 . . 1 . 1 1 24 LEU CB . . . . . . . . . . 117 . 51406 2
119 1 1 . . 7.948 . . 1 . 1 1 24 LEU H . . . . . . . . . . 59 . 51406 2
119 2 1 . . 122.273 . . 1 . 1 1 24 LEU N . . . . . . . . . . 328 . 51406 2
119 3 1 . . 40.722 . . 1 . 1 1 23 ASP CB . . . . . . . . . . 246 . 51406 2
120 1 1 . . 7.836 . . 1 . . . . . . . . . . . . . . . . 247 . 51406 2
120 2 1 . . 119.656 . . 1 . . . . . . . . . . . . . . . . 248 . 51406 2
120 3 1 . . 56.144 . . 1 . . . . . . . . . . . . . . . . 250 . 51406 2
121 1 1 . . 7.844 . . 1 . . . . . . . . . . . . . . . . 247 . 51406 2
121 2 1 . . 119.628 . . 1 . . . . . . . . . . . . . . . . 248 . 51406 2
121 3 1 . . 30.812 . . 1 . . . . . . . . . . . . . . . . 249 . 51406 2
122 1 1 . . 7.970 . . 1 . . . . . . . . . . . . . . . . 17 . 51406 2
122 2 1 . . 122.697 . . 1 . . . . . . . . . . . . . . . . 18 . 51406 2
122 3 1 . . 47.338 . . 1 . . . . . . . . . . . . . . . . 253 . 51406 2
123 1 1 . . 7.884 . . 1 . . . . . . . . . . . . . . . . 5 . 51406 2
123 2 1 . . 123.501 . . 1 . . . . . . . . . . . . . . . . 6 . 51406 2
123 3 1 . . 56.120 . . 1 . . . . . . . . . . . . . . . . 111 . 51406 2
stop_
save_
#########################
# Spectral peak lists #
#########################
save_spectral_peak_list_3
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_3
_Spectral_peak_list.Entry_ID 51406
_Spectral_peak_list.ID 3
_Spectral_peak_list.Name 'peak list 1 2 3'
_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 3
_Spectral_peak_list.Experiment_name '3D HNCA'
_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 '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 . aliased 4545.45454545 Hz . . . . . . 51406 3
2 . . N 15 15N . aliased 2483.85494287 Hz . . . . . . 51406 3
3 . . C 13 13C . aliased 8802.81690141 Hz . . . . . . 51406 3
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 . . 51406 3
stop_
loop_
_Peak.ID
_Peak.Figure_of_merit
_Peak.Type
_Peak.Restraint
_Peak.Details
_Peak.Entry_ID
_Peak.Spectral_peak_list_ID
1 1.0 . . . 51406 3
2 1.0 . . . 51406 3
3 1.0 . . . 51406 3
4 1.0 . . . 51406 3
5 1.0 . . . 51406 3
6 1.0 . . . 51406 3
7 1.0 . . . 51406 3
8 1.0 . . . 51406 3
9 1.0 . . . 51406 3
10 1.0 . . . 51406 3
11 1.0 . . . 51406 3
12 1.0 . . . 51406 3
13 1.0 . . . 51406 3
14 1.0 . . . 51406 3
15 1.0 . . . 51406 3
16 1.0 . . . 51406 3
17 1.0 . . . 51406 3
18 1.0 . . . 51406 3
19 1.0 . . . 51406 3
20 1.0 . . . 51406 3
21 1.0 . . . 51406 3
22 1.0 . . . 51406 3
23 1.0 . . . 51406 3
24 1.0 . . . 51406 3
25 1.0 . . . 51406 3
26 1.0 . . . 51406 3
27 1.0 . . . 51406 3
28 1.0 . . . 51406 3
29 1.0 . . . 51406 3
30 1.0 . . . 51406 3
31 1.0 . . . 51406 3
32 1.0 . . . 51406 3
33 1.0 . . . 51406 3
34 1.0 . . . 51406 3
35 1.0 . . . 51406 3
36 1.0 . . . 51406 3
37 1.0 . . . 51406 3
38 1.0 . . . 51406 3
39 1.0 . . . 51406 3
40 1.0 . . . 51406 3
41 1.0 . . . 51406 3
42 1.0 . . . 51406 3
43 1.0 . . . 51406 3
44 1.0 . . . 51406 3
45 1.0 . . . 51406 3
46 1.0 . . . 51406 3
47 1.0 . . . 51406 3
48 1.0 . . . 51406 3
49 1.0 . . . 51406 3
50 1.0 . . . 51406 3
51 1.0 . . . 51406 3
52 1.0 . . . 51406 3
53 1.0 . . . 51406 3
54 1.0 . . . 51406 3
55 1.0 . . . 51406 3
56 1.0 . . . 51406 3
57 1.0 . . . 51406 3
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 371605.5937500 . height 51406 3
1 8401155.3125000 . volume 51406 3
2 286651.1875000 . height 51406 3
2 6407182.8437500 . volume 51406 3
3 106027.0937500 . height 51406 3
3 2263188.5625000 . volume 51406 3
4 21488.0351562 . height 51406 3
4 448803.3203120 . volume 51406 3
5 320758.4687500 . height 51406 3
5 7264414.9218800 . volume 51406 3
6 78487.8750000 . height 51406 3
6 1701830.8125000 . volume 51406 3
7 702938.3750000 . height 51406 3
7 15481529.6875000 . volume 51406 3
8 675049.9375000 . height 51406 3
8 14968797.8438000 . volume 51406 3
9 419395.3125000 . height 51406 3
9 8986942.6562500 . volume 51406 3
10 83110.1562500 . height 51406 3
10 1785331.8671900 . volume 51406 3
11 92798.4140625 . height 51406 3
11 2111868.2382800 . volume 51406 3
12 1489648.1250000 . height 51406 3
12 31916390.0000000 . volume 51406 3
13 528711.8125000 . height 51406 3
13 11144270.7812000 . volume 51406 3
14 455267.3750000 . height 51406 3
14 10396042.3438000 . volume 51406 3
15 229982.7031250 . height 51406 3
15 5292098.7968800 . volume 51406 3
16 182693.0937500 . height 51406 3
16 4090601.8750000 . volume 51406 3
17 197346.1250000 . height 51406 3
17 4258224.6640600 . volume 51406 3
18 77016.8437500 . height 51406 3
18 1647356.8398400 . volume 51406 3
19 919851.9375000 . height 51406 3
19 20931979.9375000 . volume 51406 3
20 277824.3437500 . height 51406 3
20 6155259.4531200 . volume 51406 3
21 205664.5156250 . height 51406 3
21 4665506.4375000 . volume 51406 3
22 163991.7031250 . height 51406 3
22 3753342.0859400 . volume 51406 3
23 806331.7500000 . height 51406 3
23 17147826.8125000 . volume 51406 3
24 205727.4218750 . height 51406 3
24 4470677.8515600 . volume 51406 3
25 1262206.7500000 . height 51406 3
25 27906587.4375000 . volume 51406 3
26 569297.1875000 . height 51406 3
26 12506032.7812000 . volume 51406 3
27 142465.8750000 . height 51406 3
27 3085190.4062500 . volume 51406 3
28 269209.6562500 . height 51406 3
28 5826336.2187500 . volume 51406 3
29 745379.5000000 . height 51406 3
29 16152078.4688000 . volume 51406 3
30 230740.1875000 . height 51406 3
30 4977012.2968800 . volume 51406 3
31 287972.5312500 . height 51406 3
31 6321179.4375000 . volume 51406 3
32 88895.3203125 . height 51406 3
32 1909226.6640600 . volume 51406 3
33 170183.0937500 . height 51406 3
33 3784615.0859400 . volume 51406 3
34 35348.0117188 . height 51406 3
34 737548.3242190 . volume 51406 3
35 162228.0312500 . height 51406 3
35 3364190.5625000 . volume 51406 3
36 377267.5312500 . height 51406 3
36 8227038.5781200 . volume 51406 3
37 309480.7187500 . height 51406 3
37 6980649.8437500 . volume 51406 3
38 89447.5625000 . height 51406 3
38 1965589.7539100 . volume 51406 3
39 223434.7500000 . height 51406 3
39 4861530.6406200 . volume 51406 3
40 75087.4609375 . height 51406 3
40 1613747.9609400 . volume 51406 3
41 358498.2187500 . height 51406 3
41 7992285.2343800 . volume 51406 3
42 97931.2031250 . height 51406 3
42 2147171.7734400 . volume 51406 3
43 373894.3750000 . height 51406 3
43 8030955.0781200 . volume 51406 3
44 128902.8593750 . height 51406 3
44 2760428.7031200 . volume 51406 3
45 249365.9687500 . height 51406 3
45 5711286.2656200 . volume 51406 3
46 109999.8750000 . height 51406 3
46 2518628.9765600 . volume 51406 3
47 151597.6562500 . height 51406 3
47 3621616.8750000 . volume 51406 3
48 97142.5937500 . height 51406 3
48 2295502.9375000 . volume 51406 3
49 72108.2343750 . height 51406 3
49 1648197.9765600 . volume 51406 3
50 119018.7812500 . height 51406 3
50 2774551.0703100 . volume 51406 3
51 97427.2734375 . height 51406 3
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52 56092.6132812 . height 51406 3
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53 69411.8281250 . height 51406 3
53 1553597.1171900 . volume 51406 3
54 108141.8906250 . height 51406 3
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55 115776.3281250 . height 51406 3
55 2613151.4531200 . volume 51406 3
56 75816.3750000 . height 51406 3
56 1690841.0390600 . volume 51406 3
57 26956.8789062 . height 51406 3
57 599678.1757810 . volume 51406 3
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 8.077 . 36.3925641233 . . . . . . . . . . . 51406 3
1 2 123.437 . 49.4538671747 . . . . . . . . . . . 51406 3
1 3 56.117 . 90.4324713727 . . . . . . . . . . . 51406 3
2 1 8.077 . 35.7919118621 . . . . . . . . . . . 51406 3
2 2 123.439 . 47.2280201009 . . . . . . . . . . . 51406 3
2 3 53.807 . 82.0332534716 . . . . . . . . . . . 51406 3
3 1 7.580 . 21.5053558350 . . . . . . . . . . . 51406 3
3 2 115.131 . 53.4554174511 . . . . . . . . . . . 51406 3
3 3 45.748 . 68.6954024812 . . . . . . . . . . . 51406 3
4 1 7.577 . 18.9786607569 . . . . . . . . . . . 51406 3
4 2 115.230 . 43.6823876178 . . . . . . . . . . . 51406 3
4 3 54.677 . 68.8575313125 . . . . . . . . . . . 51406 3
5 1 7.888 . 22.8101556951 . . . . . . . . . . . 51406 3
5 2 123.368 . 53.4816221757 . . . . . . . . . . . 51406 3
5 3 59.845 . 106.0377649020 . . . . . . . . . . . 51406 3
6 1 7.886 . 20.8253210241 . . . . . . . . . . . 51406 3
6 2 123.429 . 57.9245814150 . . . . . . . . . . . 51406 3
6 3 56.090 . 82.2507369686 . . . . . . . . . . . 51406 3
7 1 7.817 . 21.6481360522 . . . . . . . . . . . 51406 3
7 2 124.291 . 49.6431481939 . . . . . . . . . . . 51406 3
7 3 54.501 . 93.3048800683 . . . . . . . . . . . 51406 3
8 1 7.815 . 22.1512534402 . . . . . . . . . . . 51406 3
8 2 124.291 . 48.7706196942 . . . . . . . . . . . 51406 3
8 3 54.703 . 95.5867515483 . . . . . . . . . . . 51406 3
9 1 7.742 . 21.5530395508 . . . . . . . . . . . 51406 3
9 2 127.927 . 47.6318985683 . . . . . . . . . . . 51406 3
9 3 57.427 . 76.0885296573 . . . . . . . . . . . 51406 3
10 1 7.743 . 21.6139988466 . . . . . . . . . . . 51406 3
10 2 127.916 . 47.0778240947 . . . . . . . . . . . 51406 3
10 3 55.718 . 82.0880834485 . . . . . . . . . . . 51406 3
11 1 7.977 . 34.6882776781 . . . . . . . . . . . 51406 3
11 2 122.845 . 56.0554591092 . . . . . . . . . . . 51406 3
11 3 52.347 . 79.5475404027 . . . . . . . . . . . 51406 3
12 1 7.657 . 20.9128314799 . . . . . . . . . . . 51406 3
12 2 128.703 . 48.3429423032 . . . . . . . . . . . 51406 3
12 3 56.313 . 79.6477559587 . . . . . . . . . . . 51406 3
13 1 7.657 . 20.5568291924 . . . . . . . . . . . 51406 3
13 2 128.679 . 47.1765729721 . . . . . . . . . . . 51406 3
13 3 54.810 . 78.7660164732 . . . . . . . . . . . 51406 3
14 1 7.814 . 35.4623252695 . . . . . . . . . . . 51406 3
14 2 119.848 . 48.5796361081 . . . . . . . . . . . 51406 3
14 3 55.383 . 94.2805388444 . . . . . . . . . . . 51406 3
15 1 7.815 . 37.1326099743 . . . . . . . . . . . 51406 3
15 2 119.854 . 49.1163888146 . . . . . . . . . . . 51406 3
15 3 52.766 . 88.8224638684 . . . . . . . . . . . 51406 3
16 1 7.626 . 62.4139200557 . . . . . . . . . . . 51406 3
16 2 126.985 . 63.1551628852 . . . . . . . . . . . 51406 3
16 3 58.921 . 75.4649370489 . . . . . . . . . . . 51406 3
17 1 7.849 . 21.5774232691 . . . . . . . . . . . 51406 3
17 2 127.543 . 51.7417098892 . . . . . . . . . . . 51406 3
17 3 57.332 . 76.3472012231 . . . . . . . . . . . 51406 3
18 1 7.849 . 22.0997767015 . . . . . . . . . . . 51406 3
18 2 127.486 . 48.4832560193 . . . . . . . . . . . 51406 3
18 3 55.561 . 75.3492431741 . . . . . . . . . . . 51406 3
19 1 8.392 . 34.7963788293 . . . . . . . . . . . 51406 3
19 2 124.493 . 49.0466575983 . . . . . . . . . . . 51406 3
19 3 53.952 . 86.3939418759 . . . . . . . . . . . 51406 3
20 1 8.390 . 33.5605307059 . . . . . . . . . . . 51406 3
20 2 124.475 . 47.0632412395 . . . . . . . . . . . 51406 3
20 3 61.971 . 77.4196650780 . . . . . . . . . . . 51406 3
21 1 7.938 . 49.5107336478 . . . . . . . . . . . 51406 3
21 2 120.144 . 50.1083190679 . . . . . . . . . . . 51406 3
21 3 56.767 . 84.5423151909 . . . . . . . . . . . 51406 3
22 1 7.940 . 57.5486909259 . . . . . . . . . . . 51406 3
22 2 120.159 . 49.9550140265 . . . . . . . . . . . 51406 3
22 3 54.170 . 79.3817387500 . . . . . . . . . . . 51406 3
23 1 7.446 . 20.5552036112 . . . . . . . . . . . 51406 3
23 2 129.108 . 47.6434094007 . . . . . . . . . . . 51406 3
23 3 53.788 . 77.1292498414 . . . . . . . . . . . 51406 3
24 1 7.446 . 21.3300639933 . . . . . . . . . . . 51406 3
24 2 129.104 . 48.2610340327 . . . . . . . . . . . 51406 3
24 3 52.898 . 96.4813459087 . . . . . . . . . . . 51406 3
25 1 7.778 . 28.3008271998 . . . . . . . . . . . 51406 3
25 2 123.031 . 48.2850180179 . . . . . . . . . . . 51406 3
25 3 61.965 . 81.6759404162 . . . . . . . . . . . 51406 3
26 1 7.779 . 27.9545783997 . . . . . . . . . . . 51406 3
26 2 123.024 . 47.4104908528 . . . . . . . . . . . 51406 3
26 3 56.288 . 79.5257658186 . . . . . . . . . . . 51406 3
27 1 7.537 . 23.2173637910 . . . . . . . . . . . 51406 3
27 2 127.473 . 49.5778214440 . . . . . . . . . . . 51406 3
27 3 54.016 . 78.6280233256 . . . . . . . . . . . 51406 3
28 1 7.537 . 22.1496278589 . . . . . . . . . . . 51406 3
28 2 127.480 . 49.5503212881 . . . . . . . . . . . 51406 3
28 3 56.450 . 79.3762295179 . . . . . . . . . . . 51406 3
29 1 7.617 . 23.3100219206 . . . . . . . . . . . 51406 3
29 2 121.206 . 48.0305212858 . . . . . . . . . . . 51406 3
29 3 63.026 . 80.3878294750 . . . . . . . . . . . 51406 3
30 1 7.617 . 22.3140824925 . . . . . . . . . . . 51406 3
30 2 121.175 . 47.4973217623 . . . . . . . . . . . 51406 3
30 3 61.574 . 83.6752669912 . . . . . . . . . . . 51406 3
31 1 7.889 . 25.6760553880 . . . . . . . . . . . 51406 3
31 2 126.809 . 51.6965918676 . . . . . . . . . . . 51406 3
31 3 57.170 . 76.0237305937 . . . . . . . . . . . 51406 3
32 1 7.887 . 23.6771323464 . . . . . . . . . . . 51406 3
32 2 126.827 . 47.4961003556 . . . . . . . . . . . 51406 3
32 3 58.248 . 82.4293934963 . . . . . . . . . . . 51406 3
33 1 7.495 . 22.5660475818 . . . . . . . . . . . 51406 3
33 2 124.883 . 55.9208082786 . . . . . . . . . . . 51406 3
33 3 57.414 . 83.5559002950 . . . . . . . . . . . 51406 3
34 1 7.492 . 18.8361514698 . . . . . . . . . . . 51406 3
34 2 125.008 . 41.8929158309 . . . . . . . . . . . 51406 3
34 3 54.794 . 80.7461919079 . . . . . . . . . . . 51406 3
35 1 7.598 . 19.4164839658 . . . . . . . . . . . 51406 3
35 2 126.309 . 46.8611539565 . . . . . . . . . . . 51406 3
35 3 55.392 . 70.4601931740 . . . . . . . . . . . 51406 3
36 1 7.597 . 21.8778848648 . . . . . . . . . . . 51406 3
36 2 126.368 . 60.3021790125 . . . . . . . . . . . 51406 3
36 3 58.901 . 75.5861401558 . . . . . . . . . . . 51406 3
37 1 7.580 . 44.0126115626 . . . . . . . . . . . 51406 3
37 2 126.745 . 57.3136560134 . . . . . . . . . . . 51406 3
37 3 58.903 . 75.2621448376 . . . . . . . . . . . 51406 3
38 1 7.573 . 24.8955054717 . . . . . . . . . . . 51406 3
38 2 126.824 . 47.6881572991 . . . . . . . . . . . 51406 3
38 3 61.408 . 89.8012707771 . . . . . . . . . . . 51406 3
39 1 7.957 . 22.6138667627 . . . . . . . . . . . 51406 3
39 2 123.707 . 51.8563370532 . . . . . . . . . . . 51406 3
39 3 54.740 . 79.5745618746 . . . . . . . . . . . 51406 3
40 1 7.956 . 20.2933495695 . . . . . . . . . . . 51406 3
40 2 123.626 . 57.6701587074 . . . . . . . . . . . 51406 3
40 3 52.083 . 78.3307871348 . . . . . . . . . . . 51406 3
41 1 7.658 . 51.8433072350 . . . . . . . . . . . 51406 3
41 2 120.916 . 49.9625645404 . . . . . . . . . . . 51406 3
41 3 63.064 . 82.2953355144 . . . . . . . . . . . 51406 3
42 1 7.660 . 22.0924615860 . . . . . . . . . . . 51406 3
42 2 120.883 . 48.6161302585 . . . . . . . . . . . 51406 3
42 3 55.943 . 83.6277826571 . . . . . . . . . . . 51406 3
43 1 7.884 . 21.4262442155 . . . . . . . . . . . 51406 3
43 2 128.816 . 49.4066024383 . . . . . . . . . . . 51406 3
43 3 57.636 . 78.2785806018 . . . . . . . . . . . 51406 3
44 1 7.884 . 21.3241035288 . . . . . . . . . . . 51406 3
44 2 128.821 . 48.6928568038 . . . . . . . . . . . 51406 3
44 3 61.449 . 78.7387326570 . . . . . . . . . . . 51406 3
45 1 8.170 . 44.1846522418 . . . . . . . . . . . 51406 3
45 2 125.205 . 50.5335906579 . . . . . . . . . . . 51406 3
45 3 52.755 . 81.8391186251 . . . . . . . . . . . 51406 3
46 1 8.170 . 42.5023111430 . . . . . . . . . . . 51406 3
46 2 125.205 . 47.0302262474 . . . . . . . . . . . 51406 3
46 3 53.920 . 80.1493584270 . . . . . . . . . . . 51406 3
47 1 8.117 . 69.7275454348 . . . . . . . . . . . 51406 3
47 2 123.698 . 58.6897001537 . . . . . . . . . . . 51406 3
47 3 56.060 . 90.1769479396 . . . . . . . . . . . 51406 3
48 1 8.118 . 70.1457262039 . . . . . . . . . . . 51406 3
48 2 123.698 . 55.0246659168 . . . . . . . . . . . 51406 3
48 3 53.735 . 80.9442619203 . . . . . . . . . . . 51406 3
49 1 8.162 . 34.0667637912 . . . . . . . . . . . 51406 3
49 2 124.457 . 54.4521593065 . . . . . . . . . . . 51406 3
49 3 55.558 . 227.0441135050 . . . . . . . . . . . 51406 3
50 1 8.160 . 35.0070270625 . . . . . . . . . . . 51406 3
50 2 124.423 . 58.5237368978 . . . . . . . . . . . 51406 3
50 3 54.810 . 91.3228682229 . . . . . . . . . . . 51406 3
51 1 7.923 . 47.5813042034 . . . . . . . . . . . 51406 3
51 2 120.767 . 53.5178942522 . . . . . . . . . . . 51406 3
51 3 57.845 . 108.9253895720 . . . . . . . . . . . 51406 3
52 1 7.923 . 44.1436063160 . . . . . . . . . . . 51406 3
52 2 120.746 . 49.1162407653 . . . . . . . . . . . 51406 3
52 3 55.826 . 88.7463839961 . . . . . . . . . . . 51406 3
53 1 8.280 . 29.5922160149 . . . . . . . . . . . 51406 3
53 2 126.789 . 52.5794838177 . . . . . . . . . . . 51406 3
53 3 54.145 . 82.4703192207 . . . . . . . . . . . 51406 3
54 1 7.645 . 73.6166130413 . . . . . . . . . . . 51406 3
54 2 126.533 . 70.7870298396 . . . . . . . . . . . 51406 3
54 3 58.910 . 73.8536178226 . . . . . . . . . . . 51406 3
55 1 7.954 . 30.5060635914 . . . . . . . . . . . 51406 3
55 2 122.432 . 57.1597587748 . . . . . . . . . . . 51406 3
55 3 54.779 . 79.6322776398 . . . . . . . . . . . 51406 3
56 1 7.954 . 35.4208729484 . . . . . . . . . . . 51406 3
56 2 122.480 . 53.3135122052 . . . . . . . . . . . 51406 3
56 3 54.044 . 77.9858042657 . . . . . . . . . . . 51406 3
57 1 7.969 . 38.6335633018 . . . . . . . . . . . 51406 3
57 2 122.860 . 59.3357872619 . . . . . . . . . . . 51406 3
57 3 47.269 . 67.6019510753 . . . . . . . . . . . 51406 3
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 . . 8.077 . . 1 . . . . . . . . . . . . . . . . 1 . 51406 3
1 2 1 . . 123.437 . . 1 . . . . . . . . . . . . . . . . 2 . 51406 3
1 3 1 . . 56.117 . . 1 . . . . . . . . . . . . . . . . 102 . 51406 3
2 1 1 . . 8.077 . . 1 . . . . . . . . . . . . . . . . 1 . 51406 3
2 2 1 . . 123.439 . . 1 . . . . . . . . . . . . . . . . 2 . 51406 3
2 3 1 . . 53.807 . . 1 . . . . . . . . . . . . . . . . 103 . 51406 3
3 1 1 . . 7.580 . . 1 . 1 1 38 GLY H . . . . . . . . . . 3 . 51406 3
3 2 1 . . 115.131 . . 1 . 1 1 38 GLY N . . . . . . . . . . 4 . 51406 3
3 3 1 . . 45.748 . . 1 . 1 1 38 GLY CA . . . . . . . . . . 107 . 51406 3
4 1 1 . . 7.577 . . 1 . 1 1 38 GLY H . . . . . . . . . . 3 . 51406 3
4 2 1 . . 115.230 . . 1 . 1 1 38 GLY N . . . . . . . . . . 4 . 51406 3
4 3 1 . . 54.677 . . 1 . 1 1 37 LEU CA . . . . . . . . . . 108 . 51406 3
5 1 1 . . 7.888 . . 1 . . . . . . . . . . . . . . . . 5 . 51406 3
5 2 1 . . 123.368 . . 1 . . . . . . . . . . . . . . . . 6 . 51406 3
5 3 1 . . 59.845 . . 1 . . . . . . . . . . . . . . . . 109 . 51406 3
6 1 1 . . 7.886 . . 1 . . . . . . . . . . . . . . . . 5 . 51406 3
6 2 1 . . 123.429 . . 1 . . . . . . . . . . . . . . . . 6 . 51406 3
6 3 1 . . 56.090 . . 1 . . . . . . . . . . . . . . . . 111 . 51406 3
7 1 1 . . 7.817 . . 1 . 1 1 25 ASN H . . . . . . . . . . 7 . 51406 3
7 2 1 . . 124.291 . . 1 . 1 1 25 ASN N . . . . . . . . . . 8 . 51406 3
7 3 1 . . 54.501 . . 1 . 1 1 25 ASN CA . . . . . . . . . . 114 . 51406 3
8 1 1 . . 7.815 . . 1 . 1 1 25 ASN H . . . . . . . . . . 7 . 51406 3
8 2 1 . . 124.291 . . 1 . 1 1 25 ASN N . . . . . . . . . . 8 . 51406 3
8 3 1 . . 54.703 . . 1 . 1 1 24 LEU CA . . . . . . . . . . 115 . 51406 3
9 1 1 . . 7.742 . . 1 . 1 1 18 LYS H . . . . . . . . . . 9 . 51406 3
9 2 1 . . 127.927 . . 1 . 1 1 18 LYS N . . . . . . . . . . 10 . 51406 3
9 3 1 . . 57.427 . . 1 . 1 1 18 LYS CA . . . . . . . . . . 122 . 51406 3
10 1 1 . . 7.743 . . 1 . 1 1 18 LYS H . . . . . . . . . . 9 . 51406 3
10 2 1 . . 127.916 . . 1 . 1 1 18 LYS N . . . . . . . . . . 10 . 51406 3
10 3 1 . . 55.718 . . 1 . 1 1 17 ARG CA . . . . . . . . . . 123 . 51406 3
11 1 1 . . 7.977 . . 1 . . . . . . . . . . . . . . . . 17 . 51406 3
11 2 1 . . 122.845 . . 1 . . . . . . . . . . . . . . . . 18 . 51406 3
11 3 1 . . 52.347 . . 1 . . . . . . . . . . . . . . . . 129 . 51406 3
12 1 1 . . 7.657 . . 1 . 1 1 44 LEU H . . . . . . . . . . 19 . 51406 3
12 2 1 . . 128.703 . . 1 . 1 1 44 LEU N . . . . . . . . . . 20 . 51406 3
12 3 1 . . 56.313 . . 1 . 1 1 44 LEU CA . . . . . . . . . . 131 . 51406 3
13 1 1 . . 7.657 . . 1 . 1 1 44 LEU H . . . . . . . . . . 19 . 51406 3
13 2 1 . . 128.679 . . 1 . 1 1 44 LEU N . . . . . . . . . . 20 . 51406 3
13 3 1 . . 54.810 . . 1 . 1 1 43 LEU CA . . . . . . . . . . 132 . 51406 3
14 1 1 . . 7.814 . . 1 . 1 1 11 ASN H . . . . . . . . . . 21 . 51406 3
14 2 1 . . 119.848 . . 1 . 1 1 11 ASN N . . . . . . . . . . 22 . 51406 3
14 3 1 . . 55.383 . . 1 . 1 1 11 ASN CA . . . . . . . . . . 140 . 51406 3
15 1 1 . . 7.815 . . 1 . 1 1 11 ASN H . . . . . . . . . . 21 . 51406 3
15 2 1 . . 119.854 . . 1 . 1 1 11 ASN N . . . . . . . . . . 22 . 51406 3
15 3 1 . . 52.766 . . 1 . 1 1 10 ALA CA . . . . . . . . . . 216 . 51406 3
16 1 1 . . 7.626 . . 1 . . . . . . . . . . . . . . . . 25 . 51406 3
16 2 1 . . 126.985 . . 1 . . . . . . . . . . . . . . . . 26 . 51406 3
16 3 1 . . 58.921 . . 1 . . . . . . . . . . . . . . . . 143 . 51406 3
17 1 1 . . 7.849 . . 1 . 1 1 35 ARG H . . . . . . . . . . 27 . 51406 3
17 2 1 . . 127.543 . . 1 . 1 1 35 ARG N . . . . . . . . . . 28 . 51406 3
17 3 1 . . 57.332 . . 1 . 1 1 35 ARG CA . . . . . . . . . . 147 . 51406 3
18 1 1 . . 7.849 . . 1 . 1 1 35 ARG H . . . . . . . . . . 27 . 51406 3
18 2 1 . . 127.486 . . 1 . 1 1 35 ARG N . . . . . . . . . . 28 . 51406 3
18 3 1 . . 55.561 . . 1 . 1 1 34 GLN CA . . . . . . . . . . 148 . 51406 3
19 1 1 . . 8.392 . . 1 . 1 1 9 ASP H . . . . . . . . . . 31 . 51406 3
19 2 1 . . 124.493 . . 1 . 1 1 9 ASP N . . . . . . . . . . 32 . 51406 3
19 3 1 . . 53.952 . . 1 . 1 1 9 ASP CA . . . . . . . . . . 153 . 51406 3
20 1 1 . . 8.390 . . 1 . 1 1 9 ASP H . . . . . . . . . . 31 . 51406 3
20 2 1 . . 124.475 . . 1 . 1 1 9 ASP N . . . . . . . . . . 32 . 51406 3
20 3 1 . . 61.971 . . 1 . 1 1 8 VAL CA . . . . . . . . . . 154 . 51406 3
21 1 1 . . 7.938 . . 1 . 1 1 13 HIS H . . . . . . . . . . 35 . 51406 3
21 2 1 . . 120.144 . . 1 . 1 1 13 HIS N . . . . . . . . . . 36 . 51406 3
21 3 2 . . 56.767 . . 1 . 1 1 13 HIS CA . . . . . . . . . . 242 . 51406 3
22 1 1 . . 7.940 . . 1 . 1 1 13 HIS H . . . . . . . . . . 35 . 51406 3
22 2 1 . . 120.159 . . 1 . 1 1 13 HIS N . . . . . . . . . . 36 . 51406 3
22 3 1 . . 54.170 . . 1 . 1 1 12 ASP CA . . . . . . . . . . 159 . 51406 3
23 1 1 . . 7.446 . . 1 . 1 1 26 ALA H . . . . . . . . . . 39 . 51406 3
23 2 1 . . 129.108 . . 1 . 1 1 26 ALA N . . . . . . . . . . 40 . 51406 3
23 3 1 . . 53.788 . . 1 . 1 1 26 ALA CA . . . . . . . . . . 161 . 51406 3
24 1 1 . . 7.446 . . 1 . 1 1 26 ALA H . . . . . . . . . . 39 . 51406 3
24 2 1 . . 129.104 . . 1 . 1 1 26 ALA N . . . . . . . . . . 40 . 51406 3
24 3 1 . . 52.898 . . 1 . . . . . . . . . . . . . . . . 162 . 51406 3
25 1 1 . . 7.778 . . 1 . 1 1 8 VAL H . . . . . . . . . . 43 . 51406 3
25 2 1 . . 123.031 . . 1 . 1 1 8 VAL N . . . . . . . . . . 44 . 51406 3
25 3 1 . . 61.965 . . 1 . 1 1 8 VAL CA . . . . . . . . . . 154 . 51406 3
26 1 1 . . 7.779 . . 1 . 1 1 8 VAL H . . . . . . . . . . 43 . 51406 3
26 2 1 . . 123.024 . . 1 . 1 1 8 VAL N . . . . . . . . . . 44 . 51406 3
26 3 1 . . 56.288 . . 1 . 1 1 7 HIS CA . . . . . . . . . . 166 . 51406 3
27 1 1 . . 7.537 . . 1 . . . . . . . . . . . . . . . . 45 . 51406 3
27 2 1 . . 127.473 . . 1 . . . . . . . . . . . . . . . . 46 . 51406 3
27 3 1 . . 54.016 . . 1 . . . . . . . . . . . . . . . . 171 . 51406 3
28 1 1 . . 7.537 . . 1 . . . . . . . . . . . . . . . . 45 . 51406 3
28 2 1 . . 127.480 . . 1 . . . . . . . . . . . . . . . . 46 . 51406 3
28 3 1 . . 56.450 . . 1 . . . . . . . . . . . . . . . . 170 . 51406 3
29 1 1 . . 7.617 . . 1 . 1 1 31 THR H . . . . . . . . . . 51 . 51406 3
29 2 1 . . 121.206 . . 1 . 1 1 31 THR N . . . . . . . . . . 52 . 51406 3
29 3 1 . . 63.026 . . 1 . 1 1 30 THR CA . . . . . . . . . . 205 . 51406 3
30 1 1 . . 7.617 . . 1 . 1 1 31 THR H . . . . . . . . . . 51 . 51406 3
30 2 1 . . 121.175 . . 1 . 1 1 31 THR N . . . . . . . . . . 52 . 51406 3
30 3 1 . . 61.574 . . 1 . 1 1 31 THR CA . . . . . . . . . . 174 . 51406 3
31 1 1 . . 7.889 . . 1 . 1 1 20 GLN H . . . . . . . . . . 55 . 51406 3
31 2 1 . . 126.809 . . 1 . 1 1 20 GLN N . . . . . . . . . . 56 . 51406 3
31 3 1 . . 57.170 . . 1 . 1 1 20 GLN CA . . . . . . . . . . 179 . 51406 3
32 1 1 . . 7.887 . . 1 . 1 1 20 GLN H . . . . . . . . . . 55 . 51406 3
32 2 1 . . 126.827 . . 1 . 1 1 20 GLN N . . . . . . . . . . 56 . 51406 3
32 3 1 . . 58.248 . . 1 . 1 1 19 SER CA . . . . . . . . . . 180 . 51406 3
33 1 1 . . 7.495 . . 1 . 1 1 28 HIS H . . . . . . . . . . 60 . 51406 3
33 2 1 . . 124.883 . . 1 . 1 1 28 HIS N . . . . . . . . . . 61 . 51406 3
33 3 1 . . 57.414 . . 1 . 1 1 28 HIS CA . . . . . . . . . . 184 . 51406 3
34 1 1 . . 7.492 . . 1 . 1 1 28 HIS H . . . . . . . . . . 60 . 51406 3
34 2 1 . . 125.008 . . 1 . 1 1 28 HIS N . . . . . . . . . . 61 . 51406 3
34 3 1 . . 54.794 . . 1 . 1 1 27 LEU CA . . . . . . . . . . 185 . 51406 3
35 1 1 . . 7.598 . . 1 . 1 1 22 TYR H . . . . . . . . . . 62 . 51406 3
35 2 1 . . 126.309 . . 1 . 1 1 22 TYR N . . . . . . . . . . 63 . 51406 3
35 3 1 . . 55.392 . . 1 . 1 1 21 GLN CA . . . . . . . . . . 190 . 51406 3
36 1 1 . . 7.597 . . 1 . 1 1 22 TYR H . . . . . . . . . . 62 . 51406 3
36 2 1 . . 126.368 . . 1 . 1 1 22 TYR N . . . . . . . . . . 63 . 51406 3
36 3 1 . . 58.901 . . 1 . 1 1 22 TYR CA . . . . . . . . . . 189 . 51406 3
37 1 1 . . 7.580 . . 1 . 1 1 6 TYR H . . . . . . . . . . 64 . 51406 3
37 2 1 . . 126.745 . . 1 . 1 1 6 TYR N . . . . . . . . . . 65 . 51406 3
37 3 1 . . 58.903 . . 1 . 1 1 6 TYR CA . . . . . . . . . . 195 . 51406 3
38 1 1 . . 7.573 . . 1 . 1 1 6 TYR H . . . . . . . . . . 64 . 51406 3
38 2 1 . . 126.824 . . 1 . 1 1 6 TYR N . . . . . . . . . . 65 . 51406 3
38 3 1 . . 61.408 . . 1 . 1 1 5 THR CA . . . . . . . . . . 196 . 51406 3
39 1 1 . . 7.957 . . 1 . . . . . . . . . . . . . . . . 90 . 51406 3
39 2 1 . . 123.707 . . 1 . . . . . . . . . . . . . . . . 91 . 51406 3
39 3 1 . . 54.740 . . 1 . . . . . . . . . . . . . . . . 201 . 51406 3
40 1 1 . . 7.956 . . 1 . . . . . . . . . . . . . . . . 90 . 51406 3
40 2 1 . . 123.626 . . 1 . . . . . . . . . . . . . . . . 91 . 51406 3
40 3 1 . . 52.083 . . 1 . . . . . . . . . . . . . . . . 202 . 51406 3
41 1 1 . . 7.658 . . 1 . 1 1 30 THR H . . . . . . . . . . 86 . 51406 3
41 2 1 . . 120.916 . . 1 . 1 1 30 THR N . . . . . . . . . . 87 . 51406 3
41 3 2 . . 63.064 . . 1 . 1 1 30 THR CA . . . . . . . . . . 205 . 51406 3
42 1 1 . . 7.660 . . 1 . 1 1 30 THR H . . . . . . . . . . 86 . 51406 3
42 2 1 . . 120.883 . . 1 . 1 1 30 THR N . . . . . . . . . . 87 . 51406 3
42 3 1 . . 55.943 . . 1 . 1 1 29 LYS CA . . . . . . . . . . 207 . 51406 3
43 1 1 . . 7.884 . . 1 . 1 1 32 LYS H . . . . . . . . . . 72 . 51406 3
43 2 1 . . 128.816 . . 1 . 1 1 32 LYS N . . . . . . . . . . 73 . 51406 3
43 3 1 . . 57.636 . . 1 . 1 1 32 LYS CA . . . . . . . . . . 212 . 51406 3
44 1 1 . . 7.884 . . 1 . 1 1 32 LYS H . . . . . . . . . . 72 . 51406 3
44 2 1 . . 128.821 . . 1 . 1 1 32 LYS N . . . . . . . . . . 73 . 51406 3
44 3 1 . . 61.449 . . 1 . 1 1 31 THR CA . . . . . . . . . . 174 . 51406 3
45 1 1 . . 8.170 . . 1 . 1 1 10 ALA H . . . . . . . . . . 49 . 51406 3
45 2 1 . . 125.205 . . 1 . 1 1 10 ALA N . . . . . . . . . . 50 . 51406 3
45 3 1 . . 52.755 . . 1 . 1 1 10 ALA CA . . . . . . . . . . 216 . 51406 3
46 1 1 . . 8.170 . . 1 . 1 1 10 ALA H . . . . . . . . . . 49 . 51406 3
46 2 1 . . 125.205 . . 1 . 1 1 10 ALA N . . . . . . . . . . 50 . 51406 3
46 3 1 . . 53.920 . . 1 . . . . . . . . . . . . . . . . 217 . 51406 3
47 1 1 . . 8.117 . . 1 . . . . . . . . . . . . . . . . 94 . 51406 3
47 2 1 . . 123.698 . . 1 . . . . . . . . . . . . . . . . 95 . 51406 3
47 3 1 . . 56.060 . . 1 . . . . . . . . . . . . . . . . 220 . 51406 3
48 1 1 . . 8.118 . . 1 . . . . . . . . . . . . . . . . 94 . 51406 3
48 2 1 . . 123.698 . . 1 . . . . . . . . . . . . . . . . 95 . 51406 3
48 3 1 . . 53.735 . . 1 . . . . . . . . . . . . . . . . 221 . 51406 3
49 1 1 . . 8.162 . . 1 . 1 1 43 LEU H . . . . . . . . . . 78 . 51406 3
49 2 1 . . 124.457 . . 1 . 1 1 43 LEU N . . . . . . . . . . 79 . 51406 3
49 3 1 . . 55.558 . . 1 . 1 1 42 GLN CA . . . . . . . . . . 225 . 51406 3
50 1 1 . . 8.160 . . 1 . 1 1 43 LEU H . . . . . . . . . . 78 . 51406 3
50 2 1 . . 124.423 . . 1 . 1 1 43 LEU N . . . . . . . . . . 79 . 51406 3
50 3 1 . . 54.810 . . 1 . 1 1 43 LEU CA . . . . . . . . . . 132 . 51406 3
51 1 1 . . 7.923 . . 1 . . . . . . . . . . . . . . . . 53 . 51406 3
51 2 1 . . 120.767 . . 1 . . . . . . . . . . . . . . . . 54 . 51406 3
51 3 1 . . 57.845 . . 1 . . . . . . . . . . . . . . . . 229 . 51406 3
52 1 1 . . 7.923 . . 1 . . . . . . . . . . . . . . . . 53 . 51406 3
52 2 1 . . 120.746 . . 1 . . . . . . . . . . . . . . . . 54 . 51406 3
52 3 1 . . 55.826 . . 1 . . . . . . . . . . . . . . . . 230 . 51406 3
53 1 1 . . 8.280 . . 1 . 1 1 12 ASP H . . . . . . . . . . 41 . 51406 3
53 2 1 . . 126.789 . . 1 . 1 1 12 ASP N . . . . . . . . . . 42 . 51406 3
53 3 2 . . 54.145 . . 1 . 1 1 12 ASP CA . . . . . . . . . . 159 . 51406 3
54 1 1 . . 7.645 . . 1 . . . . . . . . . . . . . . . . 11 . 51406 3
54 2 1 . . 126.533 . . 1 . . . . . . . . . . . . . . . . 12 . 51406 3
54 3 1 . . 58.910 . . 1 . . . . . . . . . . . . . . . . 238 . 51406 3
55 1 1 . . 7.954 . . 1 . 1 1 24 LEU H . . . . . . . . . . 59 . 51406 3
55 2 1 . . 122.432 . . 1 . 1 1 24 LEU N . . . . . . . . . . 328 . 51406 3
55 3 1 . . 54.779 . . 1 . 1 1 24 LEU CA . . . . . . . . . . 115 . 51406 3
56 1 1 . . 7.954 . . 1 . 1 1 24 LEU H . . . . . . . . . . 59 . 51406 3
56 2 1 . . 122.480 . . 1 . 1 1 24 LEU N . . . . . . . . . . 328 . 51406 3
56 3 1 . . 54.044 . . 1 . 1 1 23 ASP CA . . . . . . . . . . 245 . 51406 3
57 1 1 . . 7.969 . . 1 . . . . . . . . . . . . . . . . 17 . 51406 3
57 2 1 . . 122.860 . . 1 . . . . . . . . . . . . . . . . 18 . 51406 3
57 3 1 . . 47.269 . . 1 . . . . . . . . . . . . . . . . 253 . 51406 3
stop_
save_
#########################
# Spectral peak lists #
#########################
save_spectral_peak_list_4
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_4
_Spectral_peak_list.Entry_ID 51406
_Spectral_peak_list.ID 4
_Spectral_peak_list.Name 'peak list 1 2 3 4'
_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 4
_Spectral_peak_list.Experiment_name 'CC(CO)NH (HNco_C.relayed)'
_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 '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 . aliased 5252.10084034 Hz . . . . . . 51406 4
2 . . N 15 15N . aliased 2483.85494287 Hz . . . . . . 51406 4
3 . . C 13 13C . aliased 13192.61213720 Hz . . . . . . 51406 4
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 . . 51406 4
stop_
loop_
_Peak.ID
_Peak.Figure_of_merit
_Peak.Type
_Peak.Restraint
_Peak.Details
_Peak.Entry_ID
_Peak.Spectral_peak_list_ID
1 1.0 . . . 51406 4
2 1.0 . . . 51406 4
3 1.0 . . . 51406 4
4 1.0 . . . 51406 4
5 1.0 . . . 51406 4
6 1.0 . . . 51406 4
7 1.0 . . . 51406 4
8 1.0 . . . 51406 4
9 1.0 . . . 51406 4
10 1.0 . . . 51406 4
11 1.0 . . . 51406 4
12 1.0 . . . 51406 4
13 1.0 . . . 51406 4
14 1.0 . . . 51406 4
15 1.0 . . . 51406 4
16 1.0 . . . 51406 4
17 1.0 . . . 51406 4
18 1.0 . . . 51406 4
19 1.0 . . . 51406 4
20 1.0 . . . 51406 4
21 1.0 . . . 51406 4
22 1.0 . . . 51406 4
23 1.0 . . . 51406 4
24 1.0 . . . 51406 4
25 1.0 . . . 51406 4
26 1.0 . . . 51406 4
27 1.0 . . . 51406 4
28 1.0 . . . 51406 4
29 1.0 . . . 51406 4
30 1.0 . . . 51406 4
31 1.0 . . . 51406 4
32 1.0 . . . 51406 4
33 1.0 . . . 51406 4
34 1.0 . . . 51406 4
35 1.0 . . . 51406 4
36 1.0 . . . 51406 4
37 1.0 . . . 51406 4
38 1.0 . . . 51406 4
39 1.0 . . . 51406 4
40 1.0 . . . 51406 4
41 1.0 . . . 51406 4
42 1.0 . . . 51406 4
43 1.0 . . . 51406 4
44 1.0 . . . 51406 4
45 1.0 . . . 51406 4
46 1.0 . . . 51406 4
47 1.0 . . . 51406 4
48 1.0 . . . 51406 4
49 1.0 . . . 51406 4
50 1.0 . . . 51406 4
51 1.0 . . . 51406 4
52 1.0 . . . 51406 4
53 1.0 . . . 51406 4
54 1.0 . . . 51406 4
55 1.0 . . . 51406 4
56 1.0 . . . 51406 4
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 811507.37500 . height 51406 4
1 17523993.68750 . volume 51406 4
2 333552.87500 . height 51406 4
2 6885770.93750 . volume 51406 4
3 183642.06250 . height 51406 4
3 4063148.28125 . volume 51406 4
4 259680.46875 . height 51406 4
4 5318840.65625 . volume 51406 4
5 238246.56250 . height 51406 4
5 4749627.87500 . volume 51406 4
6 320555.65625 . height 51406 4
6 6633583.65625 . volume 51406 4
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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 8.074 . 54.8475429791 . . . . . . . . . . . 51406 4
1 2 123.451 . 45.1531092800 . . . . . . . . . . . 51406 4
1 3 40.645 . 125.8790335740 . . . . . . . . . . . 51406 4
2 1 7.818 . 18.3907251398 . . . . . . . . . . . 51406 4
2 2 124.268 . 49.2540746557 . . . . . . . . . . . 51406 4
2 3 41.854 . 146.2625639420 . . . . . . . . . . . 51406 4
3 1 7.818 . 22.8159943549 . . . . . . . . . . . 51406 4
3 2 124.266 . 53.7951165506 . . . . . . . . . . . 51406 4
3 3 26.454 . 165.6490139720 . . . . . . . . . . . 51406 4
4 1 7.818 . 21.1778057723 . . . . . . . . . . . 51406 4
4 2 124.333 . 44.0811583845 . . . . . . . . . . . 51406 4
4 3 24.785 . 121.4346344680 . . . . . . . . . . . 51406 4
5 1 7.818 . 19.7074117781 . . . . . . . . . . . 51406 4
5 2 124.338 . 41.6556668412 . . . . . . . . . . . 51406 4
5 3 22.907 . 124.5571944200 . . . . . . . . . . . 51406 4
6 1 7.740 . 20.2596312811 . . . . . . . . . . . 51406 4
6 2 127.856 . 41.8328448308 . . . . . . . . . . . 51406 4
6 3 30.273 . 153.2507760540 . . . . . . . . . . . 51406 4
7 1 7.741 . 20.5354279831 . . . . . . . . . . . 51406 4
7 2 127.828 . 46.8198111918 . . . . . . . . . . . 51406 4
7 3 26.742 . 121.9835004580 . . . . . . . . . . . 51406 4
8 1 7.740 . 22.9891107864 . . . . . . . . . . . 51406 4
8 2 127.870 . 43.2711807105 . . . . . . . . . . . 51406 4
8 3 42.974 . 84.5520980754 . . . . . . . . . . . 51406 4
9 1 7.654 . 16.8583473238 . . . . . . . . . . . 51406 4
9 2 128.668 . 43.0315629321 . . . . . . . . . . . 51406 4
9 3 41.647 . 150.2705438160 . . . . . . . . . . . 51406 4
10 1 7.654 . 17.8610452083 . . . . . . . . . . . 51406 4
10 2 128.672 . 37.8715269493 . . . . . . . . . . . 51406 4
10 3 26.565 . 115.6164977040 . . . . . . . . . . . 51406 4
11 1 7.654 . 17.1416572162 . . . . . . . . . . . 51406 4
11 2 128.678 . 38.8145639241 . . . . . . . . . . . 51406 4
11 3 24.693 . 114.0681923540 . . . . . . . . . . . 51406 4
12 1 7.654 . 16.5083578655 . . . . . . . . . . . 51406 4
12 2 128.643 . 36.7970592160 . . . . . . . . . . . 51406 4
12 3 22.939 . 106.0860452680 . . . . . . . . . . . 51406 4
13 1 7.825 . 41.0805605039 . . . . . . . . . . . 51406 4
13 2 119.912 . 41.9117921156 . . . . . . . . . . . 51406 4
13 3 18.685 . 99.0593024483 . . . . . . . . . . . 51406 4
15 1 7.624 . 19.4663635823 . . . . . . . . . . . 51406 4
15 2 127.017 . 42.5705374383 . . . . . . . . . . . 51406 4
15 3 21.183 . 84.1597139364 . . . . . . . . . . . 51406 4
16 1 7.847 . 19.2347068747 . . . . . . . . . . . 51406 4
16 2 127.450 . 47.5696438412 . . . . . . . . . . . 51406 4
16 3 33.525 . 91.0370519734 . . . . . . . . . . . 51406 4
17 1 8.384 . 33.7786784693 . . . . . . . . . . . 51406 4
17 2 124.456 . 43.1702851183 . . . . . . . . . . . 51406 4
17 3 61.824 . 127.5769402920 . . . . . . . . . . . 51406 4
18 1 8.384 . 33.3153650540 . . . . . . . . . . . 51406 4
18 2 124.499 . 45.0685731345 . . . . . . . . . . . 51406 4
18 3 20.440 . 131.8953282600 . . . . . . . . . . . 51406 4
19 1 7.927 . 39.1568706817 . . . . . . . . . . . 51406 4
19 2 120.074 . 43.1604398404 . . . . . . . . . . . 51406 4
19 3 40.514 . 149.6178808190 . . . . . . . . . . . 51406 4
20 1 7.443 . 16.5537500582 . . . . . . . . . . . 51406 4
20 2 129.095 . 42.1779107171 . . . . . . . . . . . 51406 4
20 3 38.686 . 130.8510674650 . . . . . . . . . . . 51406 4
21 1 7.775 . 27.7252382591 . . . . . . . . . . . 51406 4
21 2 122.995 . 41.8576800995 . . . . . . . . . . . 51406 4
21 3 31.308 . 112.2839847150 . . . . . . . . . . . 51406 4
22 1 7.542 . 27.0493641621 . . . . . . . . . . . 51406 4
22 2 127.523 . 46.7570382922 . . . . . . . . . . . 51406 4
22 3 40.483 . 148.1780905210 . . . . . . . . . . . 51406 4
23 1 7.615 . 22.0699971464 . . . . . . . . . . . 51406 4
23 2 121.201 . 39.4432922530 . . . . . . . . . . . 51406 4
23 3 61.558 . 102.6825650070 . . . . . . . . . . . 51406 4
24 1 7.613 . 25.0377074009 . . . . . . . . . . . 51406 4
24 2 121.130 . 42.4840026274 . . . . . . . . . . . 51406 4
24 3 69.839 . 311.1130486690 . . . . . . . . . . . 51406 4
25 1 7.615 . 19.9425120314 . . . . . . . . . . . 51406 4
25 2 121.165 . 42.1888663647 . . . . . . . . . . . 51406 4
25 3 21.311 . 86.4212305376 . . . . . . . . . . . 51406 4
26 1 7.886 . 22.1003629580 . . . . . . . . . . . 51406 4
26 2 126.798 . 49.2950102848 . . . . . . . . . . . 51406 4
26 3 63.362 . 176.2744461960 . . . . . . . . . . . 51406 4
27 1 7.487 . 19.4961032948 . . . . . . . . . . . 51406 4
27 2 125.118 . 43.2743637703 . . . . . . . . . . . 51406 4
27 3 41.586 . 147.2753710990 . . . . . . . . . . . 51406 4
28 1 7.595 . 18.7510452351 . . . . . . . . . . . 51406 4
28 2 126.401 . 42.1183949019 . . . . . . . . . . . 51406 4
28 3 55.357 . 110.1042475740 . . . . . . . . . . . 51406 4
29 1 7.595 . 17.9133244923 . . . . . . . . . . . 51406 4
29 2 126.315 . 43.1892354276 . . . . . . . . . . . 51406 4
29 3 33.456 . 85.5476057309 . . . . . . . . . . . 51406 4
30 1 7.572 . 88.8378429814 . . . . . . . . . . . 51406 4
30 2 126.846 . 47.5783787494 . . . . . . . . . . . 51406 4
30 3 61.421 . 112.7170619990 . . . . . . . . . . . 51406 4
31 1 7.571 . 49.3341133374 . . . . . . . . . . . 51406 4
31 2 126.751 . 36.2484625661 . . . . . . . . . . . 51406 4
31 3 69.989 . 249.4694217840 . . . . . . . . . . . 51406 4
32 1 7.569 . 45.7255905416 . . . . . . . . . . . 51406 4
32 2 126.802 . 43.2393131005 . . . . . . . . . . . 51406 4
32 3 21.164 . 83.7563210238 . . . . . . . . . . . 51406 4
33 1 7.952 . 19.0559555503 . . . . . . . . . . . 51406 4
33 2 123.637 . 42.5937811770 . . . . . . . . . . . 51406 4
33 3 51.932 . 89.1160210078 . . . . . . . . . . . 51406 4
34 1 7.953 . 19.7130466710 . . . . . . . . . . . 51406 4
34 2 123.617 . 42.8628607644 . . . . . . . . . . . 51406 4
34 3 19.292 . 104.6572637430 . . . . . . . . . . . 51406 4
35 1 7.656 . 25.7095118531 . . . . . . . . . . . 51406 4
35 2 120.859 . 39.5458904120 . . . . . . . . . . . 51406 4
35 3 33.087 . 136.5433896750 . . . . . . . . . . . 51406 4
36 1 7.658 . 29.8599235150 . . . . . . . . . . . 51406 4
36 2 120.804 . 40.4438093653 . . . . . . . . . . . 51406 4
36 3 28.744 . 125.1666086640 . . . . . . . . . . . 51406 4
37 1 7.659 . 17.7981222377 . . . . . . . . . . . 51406 4
37 2 120.900 . 50.0964011000 . . . . . . . . . . . 51406 4
37 3 24.333 . 104.6124423080 . . . . . . . . . . . 51406 4
38 1 7.882 . 18.9551535775 . . . . . . . . . . . 51406 4
38 2 128.748 . 44.6705056019 . . . . . . . . . . . 51406 4
38 3 21.282 . 87.2555382963 . . . . . . . . . . . 51406 4
39 1 8.157 . 51.9436948440 . . . . . . . . . . . 51406 4
39 2 125.219 . 47.3350597387 . . . . . . . . . . . 51406 4
39 3 41.000 . 133.4876687040 . . . . . . . . . . . 51406 4
40 1 8.116 . 50.5712853760 . . . . . . . . . . . 51406 4
40 2 123.704 . 40.4487690165 . . . . . . . . . . . 51406 4
40 3 53.444 . 106.4882586690 . . . . . . . . . . . 51406 4
41 1 8.115 . 56.6147079989 . . . . . . . . . . . 51406 4
41 2 123.673 . 43.6357520909 . . . . . . . . . . . 51406 4
41 3 40.659 . 123.4020595500 . . . . . . . . . . . 51406 4
42 1 8.159 . 39.3071344921 . . . . . . . . . . . 51406 4
42 2 124.436 . 49.2689536095 . . . . . . . . . . . 51406 4
42 3 55.565 . 114.1283474370 . . . . . . . . . . . 51406 4
43 1 8.157 . 30.1613902845 . . . . . . . . . . . 51406 4
43 2 124.516 . 47.2226163018 . . . . . . . . . . . 51406 4
43 3 33.458 . 87.2854192527 . . . . . . . . . . . 51406 4
44 1 7.918 . 89.2363551284 . . . . . . . . . . . 51406 4
44 2 120.792 . 51.6592094215 . . . . . . . . . . . 51406 4
44 3 33.284 . 91.7927256360 . . . . . . . . . . . 51406 4
45 1 8.273 . 37.5975705996 . . . . . . . . . . . 51406 4
45 2 126.873 . 42.6531489430 . . . . . . . . . . . 51406 4
45 3 54.581 . 107.9598957760 . . . . . . . . . . . 51406 4
46 1 7.624 . 23.0060154650 . . . . . . . . . . . 51406 4
46 2 126.993 . 42.7997917662 . . . . . . . . . . . 51406 4
46 3 61.365 . 85.8344235961 . . . . . . . . . . . 51406 4
49 1 7.965 . 39.8725020785 . . . . . . . . . . . 51406 4
49 2 122.892 . 48.7422682548 . . . . . . . . . . . 51406 4
49 3 47.307 . 98.0724445434 . . . . . . . . . . . 51406 4
50 1 7.884 . 14.0052132246 . . . . . . . . . . . 51406 4
50 2 123.464 . 36.9286750361 . . . . . . . . . . . 51406 4
50 3 28.716 . 289.5213054160 . . . . . . . . . . . 51406 4
51 1 7.885 . 22.3232542767 . . . . . . . . . . . 51406 4
51 2 123.332 . 45.5310791213 . . . . . . . . . . . 51406 4
51 3 24.289 . 106.7670165390 . . . . . . . . . . . 51406 4
52 1 7.878 . 96.4183391643 . . . . . . . . . . . 51406 4
52 2 123.904 . 49.8510834239 . . . . . . . . . . . 51406 4
52 3 41.844 . 334.0211266890 . . . . . . . . . . . 51406 4
53 1 7.489 . 27.4068668109 . . . . . . . . . . . 51406 4
53 2 125.100 . 89.7955225287 . . . . . . . . . . . 51406 4
53 3 26.299 . 139.6164101470 . . . . . . . . . . . 51406 4
54 1 7.499 . 62.8303079044 . . . . . . . . . . . 51406 4
54 2 124.677 . 52.3998260024 . . . . . . . . . . . 51406 4
54 3 24.631 . 110.2725245390 . . . . . . . . . . . 51406 4
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 . . 8.074 . . 1 . . . . . . . . . . . . . . . . 1 . 51406 4
1 2 1 . . 123.451 . . 1 . . . . . . . . . . . . . . . . 2 . 51406 4
1 3 1 . . 40.645 . . 1 . . . . . . . . . . . . . . . . 105 . 51406 4
2 1 1 . . 7.818 . . 1 . 1 1 25 ASN H . . . . . . . . . . 7 . 51406 4
2 2 1 . . 124.268 . . 1 . 1 1 25 ASN N . . . . . . . . . . 8 . 51406 4
2 3 1 . . 41.854 . . 1 . 1 1 24 LEU CB . . . . . . . . . . 117 . 51406 4
3 1 1 . . 7.818 . . 1 . 1 1 25 ASN H . . . . . . . . . . 7 . 51406 4
3 2 1 . . 124.266 . . 1 . 1 1 25 ASN N . . . . . . . . . . 8 . 51406 4
3 3 1 . . 26.454 . . 1 . 1 1 24 LEU CG . . . . . . . . . . 118 . 51406 4
4 1 1 . . 7.818 . . 1 . 1 1 25 ASN H . . . . . . . . . . 7 . 51406 4
4 2 1 . . 124.333 . . 1 . 1 1 25 ASN N . . . . . . . . . . 8 . 51406 4
4 3 1 . . 24.785 . . 1 . 1 1 24 LEU CD1 . . . . . . . . . . 119 . 51406 4
5 1 1 . . 7.818 . . 1 . 1 1 25 ASN H . . . . . . . . . . 7 . 51406 4
5 2 1 . . 124.338 . . 1 . 1 1 25 ASN N . . . . . . . . . . 8 . 51406 4
5 3 1 . . 22.907 . . 1 . 1 1 24 LEU CD2 . . . . . . . . . . 120 . 51406 4
6 1 1 . . 7.740 . . 1 . 1 1 18 LYS H . . . . . . . . . . 9 . 51406 4
6 2 1 . . 127.856 . . 1 . 1 1 18 LYS N . . . . . . . . . . 10 . 51406 4
6 3 1 . . 30.273 . . 1 . 1 1 17 ARG CB . . . . . . . . . . 125 . 51406 4
7 1 1 . . 7.741 . . 1 . 1 1 18 LYS H . . . . . . . . . . 9 . 51406 4
7 2 1 . . 127.828 . . 1 . 1 1 18 LYS N . . . . . . . . . . 10 . 51406 4
7 3 1 . . 26.742 . . 1 . 1 1 17 ARG CG . . . . . . . . . . 126 . 51406 4
8 1 1 . . 7.740 . . 1 . 1 1 18 LYS H . . . . . . . . . . 9 . 51406 4
8 2 1 . . 127.870 . . 1 . 1 1 18 LYS N . . . . . . . . . . 10 . 51406 4
8 3 1 . . 42.974 . . 1 . 1 1 17 ARG CD . . . . . . . . . . 127 . 51406 4
9 1 1 . . 7.654 . . 1 . 1 1 44 LEU H . . . . . . . . . . 19 . 51406 4
9 2 1 . . 128.668 . . 1 . 1 1 44 LEU N . . . . . . . . . . 20 . 51406 4
9 3 1 . . 41.647 . . 1 . 1 1 43 LEU CB . . . . . . . . . . 134 . 51406 4
10 1 1 . . 7.654 . . 1 . 1 1 44 LEU H . . . . . . . . . . 19 . 51406 4
10 2 1 . . 128.672 . . 1 . 1 1 44 LEU N . . . . . . . . . . 20 . 51406 4
10 3 1 . . 26.565 . . 1 . 1 1 43 LEU CG . . . . . . . . . . 135 . 51406 4
11 1 1 . . 7.654 . . 1 . 1 1 44 LEU H . . . . . . . . . . 19 . 51406 4
11 2 1 . . 128.678 . . 1 . 1 1 44 LEU N . . . . . . . . . . 20 . 51406 4
11 3 1 . . 24.693 . . 1 . 1 1 43 LEU CD1 . . . . . . . . . . 136 . 51406 4
12 1 1 . . 7.654 . . 1 . 1 1 44 LEU H . . . . . . . . . . 19 . 51406 4
12 2 1 . . 128.643 . . 1 . 1 1 44 LEU N . . . . . . . . . . 20 . 51406 4
12 3 1 . . 22.939 . . 1 . 1 1 43 LEU CD2 . . . . . . . . . . 137 . 51406 4
13 1 1 . . 7.825 . . 1 . 1 1 11 ASN H . . . . . . . . . . 21 . 51406 4
13 2 1 . . 119.912 . . 1 . 1 1 11 ASN N . . . . . . . . . . 22 . 51406 4
13 3 1 . . 18.685 . . 1 . . . . . . . . . . . . . . . . 142 . 51406 4
15 1 1 . . 7.624 . . 1 . . . . . . . . . . . . . . . . 25 . 51406 4
15 2 1 . . 127.017 . . 1 . . . . . . . . . . . . . . . . 26 . 51406 4
15 3 1 . . 21.183 . . 1 . . . . . . . . . . . . . . . . 146 . 51406 4
16 1 1 . . 7.847 . . 1 . 1 1 35 ARG H . . . . . . . . . . 27 . 51406 4
16 2 1 . . 127.450 . . 1 . 1 1 35 ARG N . . . . . . . . . . 28 . 51406 4
16 3 1 . . 33.525 . . 1 . 1 1 34 GLN CG . . . . . . . . . . 151 . 51406 4
17 1 1 . . 8.384 . . 1 . 1 1 9 ASP H . . . . . . . . . . 31 . 51406 4
17 2 1 . . 124.456 . . 1 . 1 1 9 ASP N . . . . . . . . . . 32 . 51406 4
17 3 1 . . 61.824 . . 1 . 1 1 8 VAL CA . . . . . . . . . . 154 . 51406 4
18 1 1 . . 8.384 . . 1 . 1 1 9 ASP H . . . . . . . . . . 31 . 51406 4
18 2 1 . . 124.499 . . 1 . 1 1 9 ASP N . . . . . . . . . . 32 . 51406 4
18 3 1 . . 20.440 . . 1 . 1 1 8 VAL CG1 . . . . . . . . . . 157 . 51406 4
19 1 1 . . 7.927 . . 1 . 1 1 13 HIS H . . . . . . . . . . 35 . 51406 4
19 2 1 . . 120.074 . . 1 . 1 1 13 HIS N . . . . . . . . . . 36 . 51406 4
19 3 1 . . 40.514 . . 1 . 1 1 12 ASP CB . . . . . . . . . . 160 . 51406 4
20 1 1 . . 7.443 . . 1 . 1 1 26 ALA H . . . . . . . . . . 39 . 51406 4
20 2 1 . . 129.095 . . 1 . 1 1 26 ALA N . . . . . . . . . . 40 . 51406 4
20 3 1 . . 38.686 . . 1 . . . . . . . . . . . . . . . . 164 . 51406 4
21 1 1 . . 7.775 . . 1 . 1 1 8 VAL H . . . . . . . . . . 43 . 51406 4
21 2 1 . . 122.995 . . 1 . 1 1 8 VAL N . . . . . . . . . . 44 . 51406 4
21 3 1 . . 31.308 . . 1 . 1 1 7 HIS CB . . . . . . . . . . 167 . 51406 4
22 1 1 . . 7.542 . . 1 . . . . . . . . . . . . . . . . 45 . 51406 4
22 2 1 . . 127.523 . . 1 . . . . . . . . . . . . . . . . 46 . 51406 4
22 3 2 . . 40.483 . . 1 . . . . . . . . . . . . . . . . 173 . 51406 4
23 1 1 . . 7.615 . . 1 . 1 1 31 THR H . . . . . . . . . . 51 . 51406 4
23 2 1 . . 121.201 . . 1 . 1 1 31 THR N . . . . . . . . . . 52 . 51406 4
23 3 1 . . 61.558 . . 1 . 1 1 31 THR CA . . . . . . . . . . 174 . 51406 4
24 1 1 . . 7.613 . . 1 . 1 1 31 THR H . . . . . . . . . . 51 . 51406 4
24 2 1 . . 121.130 . . 1 . 1 1 31 THR N . . . . . . . . . . 52 . 51406 4
24 3 1 . . 69.839 . . 1 . 1 1 31 THR CB . . . . . . . . . . 176 . 51406 4
25 1 1 . . 7.615 . . 1 . 1 1 31 THR H . . . . . . . . . . 51 . 51406 4
25 2 1 . . 121.165 . . 1 . 1 1 31 THR N . . . . . . . . . . 52 . 51406 4
25 3 1 . . 21.311 . . 1 . 1 1 30 THR CG2 . . . . . . . . . . 177 . 51406 4
26 1 1 . . 7.886 . . 1 . 1 1 20 GLN H . . . . . . . . . . 55 . 51406 4
26 2 1 . . 126.798 . . 1 . 1 1 20 GLN N . . . . . . . . . . 56 . 51406 4
26 3 1 . . 63.362 . . 1 . 1 1 19 SER CB . . . . . . . . . . 181 . 51406 4
27 1 1 . . 7.487 . . 1 . 1 1 28 HIS H . . . . . . . . . . 60 . 51406 4
27 2 1 . . 125.118 . . 1 . 1 1 28 HIS N . . . . . . . . . . 61 . 51406 4
27 3 1 . . 41.586 . . 1 . 1 1 27 LEU CB . . . . . . . . . . 186 . 51406 4
28 1 1 . . 7.595 . . 1 . 1 1 22 TYR H . . . . . . . . . . 62 . 51406 4
28 2 1 . . 126.401 . . 1 . 1 1 22 TYR N . . . . . . . . . . 63 . 51406 4
28 3 1 . . 55.357 . . 1 . 1 1 21 GLN CA . . . . . . . . . . 190 . 51406 4
29 1 1 . . 7.595 . . 1 . 1 1 22 TYR H . . . . . . . . . . 62 . 51406 4
29 2 1 . . 126.315 . . 1 . 1 1 22 TYR N . . . . . . . . . . 63 . 51406 4
29 3 1 . . 33.456 . . 1 . 1 1 21 GLN CG . . . . . . . . . . 193 . 51406 4
30 1 1 . . 7.572 . . 1 . 1 1 6 TYR H . . . . . . . . . . 64 . 51406 4
30 2 1 . . 126.846 . . 1 . 1 1 6 TYR N . . . . . . . . . . 65 . 51406 4
30 3 1 . . 61.421 . . 1 . 1 1 5 THR CA . . . . . . . . . . 196 . 51406 4
31 1 1 . . 7.571 . . 1 . 1 1 6 TYR H . . . . . . . . . . 64 . 51406 4
31 2 1 . . 126.751 . . 1 . 1 1 6 TYR N . . . . . . . . . . 65 . 51406 4
31 3 1 . . 69.989 . . 1 . 1 1 5 THR CB . . . . . . . . . . 197 . 51406 4
32 1 1 . . 7.569 . . 1 . 1 1 6 TYR H . . . . . . . . . . 64 . 51406 4
32 2 1 . . 126.802 . . 1 . 1 1 6 TYR N . . . . . . . . . . 65 . 51406 4
32 3 1 . . 21.164 . . 1 . 1 1 5 THR CG2 . . . . . . . . . . 199 . 51406 4
33 1 1 . . 7.952 . . 1 . . . . . . . . . . . . . . . . 90 . 51406 4
33 2 1 . . 123.637 . . 1 . . . . . . . . . . . . . . . . 91 . 51406 4
33 3 1 . . 51.932 . . 1 . . . . . . . . . . . . . . . . 202 . 51406 4
34 1 1 . . 7.953 . . 1 . . . . . . . . . . . . . . . . 90 . 51406 4
34 2 1 . . 123.617 . . 1 . . . . . . . . . . . . . . . . 91 . 51406 4
34 3 1 . . 19.292 . . 1 . . . . . . . . . . . . . . . . 204 . 51406 4
35 1 1 . . 7.656 . . 1 . 1 1 30 THR H . . . . . . . . . . 86 . 51406 4
35 2 1 . . 120.859 . . 1 . 1 1 30 THR N . . . . . . . . . . 87 . 51406 4
35 3 1 . . 33.087 . . 1 . 1 1 29 LYS CB . . . . . . . . . . 208 . 51406 4
36 1 1 . . 7.658 . . 1 . 1 1 30 THR H . . . . . . . . . . 86 . 51406 4
36 2 1 . . 120.804 . . 1 . 1 1 30 THR N . . . . . . . . . . 87 . 51406 4
36 3 1 . . 28.744 . . 1 . 1 1 29 LYS CD . . . . . . . . . . 209 . 51406 4
37 1 1 . . 7.659 . . 1 . 1 1 30 THR H . . . . . . . . . . 86 . 51406 4
37 2 1 . . 120.900 . . 1 . 1 1 30 THR N . . . . . . . . . . 87 . 51406 4
37 3 1 . . 24.333 . . 1 . 1 1 29 LYS CG . . . . . . . . . . 210 . 51406 4
38 1 1 . . 7.882 . . 1 . 1 1 32 LYS H . . . . . . . . . . 72 . 51406 4
38 2 1 . . 128.748 . . 1 . 1 1 32 LYS N . . . . . . . . . . 73 . 51406 4
38 3 1 . . 21.282 . . 1 . 1 1 31 THR CG2 . . . . . . . . . . 214 . 51406 4
39 1 1 . . 8.157 . . 1 . 1 1 10 ALA H . . . . . . . . . . 49 . 51406 4
39 2 1 . . 125.219 . . 1 . 1 1 10 ALA N . . . . . . . . . . 50 . 51406 4
39 3 1 . . 41.000 . . 1 . . . . . . . . . . . . . . . . 219 . 51406 4
40 1 1 . . 8.116 . . 1 . . . . . . . . . . . . . . . . 94 . 51406 4
40 2 1 . . 123.704 . . 1 . . . . . . . . . . . . . . . . 95 . 51406 4
40 3 1 . . 53.444 . . 1 . . . . . . . . . . . . . . . . 221 . 51406 4
41 1 1 . . 8.115 . . 1 . . . . . . . . . . . . . . . . 94 . 51406 4
41 2 1 . . 123.673 . . 1 . . . . . . . . . . . . . . . . 95 . 51406 4
41 3 1 . . 40.659 . . 1 . . . . . . . . . . . . . . . . 223 . 51406 4
42 1 1 . . 8.159 . . 1 . 1 1 43 LEU H . . . . . . . . . . 78 . 51406 4
42 2 1 . . 124.436 . . 1 . 1 1 43 LEU N . . . . . . . . . . 79 . 51406 4
42 3 1 . . 55.565 . . 1 . 1 1 42 GLN CA . . . . . . . . . . 225 . 51406 4
43 1 1 . . 8.157 . . 1 . 1 1 43 LEU H . . . . . . . . . . 78 . 51406 4
43 2 1 . . 124.516 . . 1 . 1 1 43 LEU N . . . . . . . . . . 79 . 51406 4
43 3 1 . . 33.458 . . 1 . 1 1 42 GLN CG . . . . . . . . . . 228 . 51406 4
44 1 1 . . 7.918 . . 1 . . . . . . . . . . . . . . . . 53 . 51406 4
44 2 1 . . 120.792 . . 1 . . . . . . . . . . . . . . . . 54 . 51406 4
44 3 1 . . 33.284 . . 1 . . . . . . . . . . . . . . . . 233 . 51406 4
45 1 1 . . 8.273 . . 1 . 1 1 12 ASP H . . . . . . . . . . 41 . 51406 4
45 2 1 . . 126.873 . . 1 . 1 1 12 ASP N . . . . . . . . . . 42 . 51406 4
45 3 1 . . 54.581 . . 1 . . . . . . . . . . . . . . . . 235 . 51406 4
46 1 1 . . 7.624 . . 1 . . . . . . . . . . . . . . . . 25 . 51406 4
46 2 1 . . 126.993 . . 1 . . . . . . . . . . . . . . . . 26 . 51406 4
46 3 1 . . 61.365 . . 1 . . . . . . . . . . . . . . . . 144 . 51406 4
49 1 1 . . 7.965 . . 1 . . . . . . . . . . . . . . . . 17 . 51406 4
49 2 1 . . 122.892 . . 1 . . . . . . . . . . . . . . . . 18 . 51406 4
49 3 1 . . 47.307 . . 1 . . . . . . . . . . . . . . . . 253 . 51406 4
50 1 1 . . 7.884 . . 1 . . . . . . . . . . . . . . . . 5 . 51406 4
50 2 1 . . 123.464 . . 1 . . . . . . . . . . . . . . . . 6 . 51406 4
50 3 1 . . 28.716 . . 1 . . . . . . . . . . . . . . . . 308 . 51406 4
51 1 1 . . 7.885 . . 1 . . . . . . . . . . . . . . . . 5 . 51406 4
51 2 1 . . 123.332 . . 1 . . . . . . . . . . . . . . . . 6 . 51406 4
51 3 1 . . 24.289 . . 1 . . . . . . . . . . . . . . . . 309 . 51406 4
52 1 1 . . 7.878 . . 1 . . . . . . . . . . . . . . . . 5 . 51406 4
52 2 1 . . 123.904 . . 1 . . . . . . . . . . . . . . . . 6 . 51406 4
52 3 1 . . 41.844 . . 1 . . . . . . . . . . . . . . . . 310 . 51406 4
53 1 1 . . 7.489 . . 1 . 1 1 28 HIS H . . . . . . . . . . 60 . 51406 4
53 2 1 . . 125.100 . . 1 . 1 1 28 HIS N . . . . . . . . . . 61 . 51406 4
53 3 1 . . 26.299 . . 1 . 1 1 27 LEU CG . . . . . . . . . . 314 . 51406 4
54 1 1 . . 7.499 . . 1 . 1 1 28 HIS H . . . . . . . . . . 60 . 51406 4
54 2 1 . . 124.677 . . 1 . 1 1 28 HIS N . . . . . . . . . . 61 . 51406 4
54 3 1 . . 24.631 . . 1 . 1 1 27 LEU CD1 . . . . . . . . . . 315 . 51406 4
stop_
save_
#########################
# Spectral peak lists #
#########################
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 51406
_Spectral_peak_list.ID 5
_Spectral_peak_list.Name 'peak list 1 2 3 4 5'
_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 '3D HNCO'
_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 '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 . aliased 5252.10084034 Hz . . . . . . 51406 5
2 . . N 15 15N . aliased 2553.62614913 Hz . . . . . . 51406 5
3 . . C 13 13C . aliased 3872.96669249 Hz . . . . . . 51406 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 . . 51406 5
stop_
loop_
_Peak.ID
_Peak.Figure_of_merit
_Peak.Type
_Peak.Restraint
_Peak.Details
_Peak.Entry_ID
_Peak.Spectral_peak_list_ID
1 1.0 . . . 51406 5
2 1.0 . . . 51406 5
3 1.0 . . . 51406 5
4 1.0 . . . 51406 5
5 1.0 . . . 51406 5
6 1.0 . . . 51406 5
7 1.0 . . . 51406 5
8 1.0 . . . 51406 5
9 1.0 . . . 51406 5
10 1.0 . . . 51406 5
11 1.0 . . . 51406 5
12 1.0 . . . 51406 5
13 1.0 . . . 51406 5
14 1.0 . . . 51406 5
15 1.0 . . . 51406 5
16 1.0 . . . 51406 5
17 1.0 . . . 51406 5
18 1.0 . . . 51406 5
19 1.0 . . . 51406 5
20 1.0 . . . 51406 5
21 1.0 . . . 51406 5
22 1.0 . . . 51406 5
23 1.0 . . . 51406 5
24 1.0 . . . 51406 5
25 1.0 . . . 51406 5
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 153779.781250 . height 51406 5
1 3300184.359380 . volume 51406 5
2 88468.328125 . height 51406 5
2 1742317.421880 . volume 51406 5
3 167982.265625 . height 51406 5
3 3279131.968750 . volume 51406 5
4 56939.093750 . height 51406 5
4 1116890.218750 . volume 51406 5
5 657565.750000 . height 51406 5
5 12739038.687500 . volume 51406 5
6 56530.328125 . height 51406 5
6 1126793.078120 . volume 51406 5
7 210606.781250 . height 51406 5
7 4524016.687500 . volume 51406 5
8 275492.937500 . height 51406 5
8 5162161.406250 . volume 51406 5
9 465060.250000 . height 51406 5
9 9639264.718750 . volume 51406 5
10 251204.187500 . height 51406 5
10 5102158.296880 . volume 51406 5
11 80292.140625 . height 51406 5
11 1641112.703120 . volume 51406 5
12 42459.250000 . height 51406 5
12 845964.421875 . volume 51406 5
13 120550.421875 . height 51406 5
13 2357769.281250 . volume 51406 5
14 39086.453125 . height 51406 5
14 809805.937500 . volume 51406 5
15 90127.500000 . height 51406 5
15 1811630.812500 . volume 51406 5
16 123775.312500 . height 51406 5
16 2377444.171880 . volume 51406 5
17 44117.093750 . height 51406 5
17 873109.828125 . volume 51406 5
18 50721.468750 . height 51406 5
18 1082749.250000 . volume 51406 5
19 58751.109375 . height 51406 5
19 1363493.234380 . volume 51406 5
20 178825.468750 . height 51406 5
20 3419825.984380 . volume 51406 5
21 67293.625000 . height 51406 5
21 1506039.437500 . volume 51406 5
22 48900.359375 . height 51406 5
22 1130142.078120 . volume 51406 5
23 61504.031250 . height 51406 5
23 1216149.421880 . volume 51406 5
24 30560.156250 . height 51406 5
24 665257.609375 . volume 51406 5
25 53359.796875 . height 51406 5
25 1131237.062500 . volume 51406 5
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 8.069 . 23.1997931705 . . . . . . . . . . . 51406 5
1 2 123.459 . 58.5343182635 . . . . . . . . . . . 51406 5
1 3 176.469 . 36.1372203812 . . . . . . . . . . . 51406 5
2 1 7.881 . 16.6536128821 . . . . . . . . . . . 51406 5
2 2 123.400 . 65.2382426169 . . . . . . . . . . . 51406 5
2 3 175.538 . 29.7598465758 . . . . . . . . . . . 51406 5
3 1 7.810 . 15.3763704941 . . . . . . . . . . . 51406 5
3 2 124.274 . 66.5410668175 . . . . . . . . . . . 51406 5
3 3 176.257 . 31.1107620724 . . . . . . . . . . . 51406 5
4 1 7.736 . 14.6641826429 . . . . . . . . . . . 51406 5
4 2 127.883 . 68.9395601586 . . . . . . . . . . . 51406 5
4 3 175.202 . 33.0194034473 . . . . . . . . . . . 51406 5
5 1 7.653 . 15.9232681539 . . . . . . . . . . . 51406 5
5 2 128.669 . 54.1927378560 . . . . . . . . . . . 51406 5
5 3 176.041 . 30.6977771402 . . . . . . . . . . . 51406 5
6 1 7.841 . 16.4667222680 . . . . . . . . . . . 51406 5
6 2 127.462 . 62.6045118435 . . . . . . . . . . . 51406 5
6 3 174.806 . 33.7982805638 . . . . . . . . . . . 51406 5
7 1 8.384 . 26.4573873592 . . . . . . . . . . . 51406 5
7 2 124.463 . 59.0945958361 . . . . . . . . . . . 51406 5
7 3 175.239 . 30.8847630513 . . . . . . . . . . . 51406 5
8 1 7.441 . 13.9989522325 . . . . . . . . . . . 51406 5
8 2 129.082 . 57.5002553027 . . . . . . . . . . . 51406 5
8 3 173.704 . 32.2776926663 . . . . . . . . . . . 51406 5
9 1 7.773 . 20.9317487829 . . . . . . . . . . . 51406 5
9 2 123.023 . 55.1850577784 . . . . . . . . . . . 51406 5
9 3 174.892 . 31.7231986432 . . . . . . . . . . . 51406 5
10 1 7.612 . 17.2590508181 . . . . . . . . . . . 51406 5
10 2 121.154 . 58.9573803425 . . . . . . . . . . . 51406 5
10 3 173.898 . 31.1643185309 . . . . . . . . . . . 51406 5
11 1 7.883 . 16.8993568220 . . . . . . . . . . . 51406 5
11 2 126.830 . 58.9277758905 . . . . . . . . . . . 51406 5
11 3 173.398 . 33.8929277534 . . . . . . . . . . . 51406 5
12 1 7.482 . 18.7986287750 . . . . . . . . . . . 51406 5
12 2 124.977 . 62.0573241572 . . . . . . . . . . . 51406 5
12 3 176.113 . 33.2961887652 . . . . . . . . . . . 51406 5
13 1 7.592 . 16.0478618966 . . . . . . . . . . . 51406 5
13 2 126.300 . 64.1265155346 . . . . . . . . . . . 51406 5
13 3 174.370 . 29.1836529532 . . . . . . . . . . . 51406 5
14 1 7.568 . 17.8244184045 . . . . . . . . . . . 51406 5
14 2 126.778 . 69.1897139729 . . . . . . . . . . . 51406 5
14 3 173.111 . 30.1437448107 . . . . . . . . . . . 51406 5
15 1 7.654 . 16.4091211407 . . . . . . . . . . . 51406 5
15 2 120.863 . 64.4084047127 . . . . . . . . . . . 51406 5
15 3 175.586 . 30.0645643570 . . . . . . . . . . . 51406 5
16 1 7.877 . 14.9931977777 . . . . . . . . . . . 51406 5
16 2 128.789 . 60.1891234167 . . . . . . . . . . . 51406 5
16 3 173.423 . 30.4251470647 . . . . . . . . . . . 51406 5
17 1 7.950 . 15.9104331201 . . . . . . . . . . . 51406 5
17 2 123.668 . 54.7734874018 . . . . . . . . . . . 51406 5
17 3 176.451 . 40.0048277343 . . . . . . . . . . . 51406 5
18 1 8.150 . 27.8958502938 . . . . . . . . . . . 51406 5
18 2 124.505 . 64.2017062765 . . . . . . . . . . . 51406 5
18 3 175.276 . 29.6820512028 . . . . . . . . . . . 51406 5
19 1 8.157 . 36.2837014078 . . . . . . . . . . . 51406 5
19 2 125.304 . 77.5175452598 . . . . . . . . . . . 51406 5
19 3 175.946 . 39.9792037391 . . . . . . . . . . . 51406 5
20 1 7.530 . 15.0786603198 . . . . . . . . . . . 51406 5
20 2 127.499 . 60.3469630915 . . . . . . . . . . . 51406 5
20 3 174.748 . 30.1105028709 . . . . . . . . . . . 51406 5
21 1 7.804 . 21.4006970910 . . . . . . . . . . . 51406 5
21 2 119.881 . 60.8567837188 . . . . . . . . . . . 51406 5
21 3 177.664 . 89.9736960667 . . . . . . . . . . . 51406 5
22 1 7.935 . 34.5537892911 . . . . . . . . . . . 51406 5
22 2 120.124 . 59.8456661109 . . . . . . . . . . . 51406 5
22 3 176.095 . 33.6870124043 . . . . . . . . . . . 51406 5
23 1 7.888 . 16.4626526232 . . . . . . . . . . . 51406 5
23 2 122.990 . 60.9261905575 . . . . . . . . . . . 51406 5
23 3 175.142 . 31.4711139333 . . . . . . . . . . . 51406 5
24 1 7.574 . 17.3235390367 . . . . . . . . . . . 51406 5
24 2 115.087 . 87.0036031667 . . . . . . . . . . . 51406 5
24 3 176.482 . 58.4287111562 . . . . . . . . . . . 51406 5
25 1 7.944 . 20.4465218953 . . . . . . . . . . . 51406 5
25 2 122.545 . 77.0447872754 . . . . . . . . . . . 51406 5
25 3 175.618 . 33.1486776575 . . . . . . . . . . . 51406 5
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 . . 8.069 . . 1 . . . . . . . . . . . . . . . . 1 . 51406 5
1 2 1 . . 123.459 . . 1 . . . . . . . . . . . . . . . . 2 . 51406 5
1 3 1 . . 176.469 . . 1 . . . . . . . . . . . . . . . . 106 . 51406 5
2 1 1 . . 7.881 . . 1 . . . . . . . . . . . . . . . . 5 . 51406 5
2 2 1 . . 123.400 . . 1 . . . . . . . . . . . . . . . . 6 . 51406 5
2 3 1 . . 175.538 . . 1 . . . . . . . . . . . . . . . . 113 . 51406 5
3 1 1 . . 7.810 . . 1 . 1 1 25 ASN H . . . . . . . . . . 7 . 51406 5
3 2 1 . . 124.274 . . 1 . 1 1 25 ASN N . . . . . . . . . . 8 . 51406 5
3 3 2 . . 176.257 . . 1 . 1 1 24 LEU C . . . . . . . . . . 121 . 51406 5
4 1 1 . . 7.736 . . 1 . 1 1 18 LYS H . . . . . . . . . . 9 . 51406 5
4 2 1 . . 127.883 . . 1 . 1 1 18 LYS N . . . . . . . . . . 10 . 51406 5
4 3 1 . . 175.202 . . 1 . 1 1 17 ARG C . . . . . . . . . . 128 . 51406 5
5 1 1 . . 7.653 . . 1 . 1 1 44 LEU H . . . . . . . . . . 19 . 51406 5
5 2 1 . . 128.669 . . 1 . 1 1 44 LEU N . . . . . . . . . . 20 . 51406 5
5 3 1 . . 176.041 . . 1 . 1 1 43 LEU C . . . . . . . . . . 139 . 51406 5
6 1 1 . . 7.841 . . 1 . 1 1 35 ARG H . . . . . . . . . . 27 . 51406 5
6 2 1 . . 127.462 . . 1 . 1 1 35 ARG N . . . . . . . . . . 28 . 51406 5
6 3 2 . . 174.806 . . 1 . 1 1 34 GLN C . . . . . . . . . . 152 . 51406 5
7 1 1 . . 8.384 . . 1 . 1 1 9 ASP H . . . . . . . . . . 31 . 51406 5
7 2 1 . . 124.463 . . 1 . 1 1 9 ASP N . . . . . . . . . . 32 . 51406 5
7 3 2 . . 175.239 . . 1 . 1 1 8 VAL C . . . . . . . . . . 169 . 51406 5
8 1 1 . . 7.441 . . 1 . 1 1 26 ALA H . . . . . . . . . . 39 . 51406 5
8 2 1 . . 129.082 . . 1 . 1 1 26 ALA N . . . . . . . . . . 40 . 51406 5
8 3 2 . . 173.704 . . 1 . 1 1 25 ASN C . . . . . . . . . . 165 . 51406 5
9 1 1 . . 7.773 . . 1 . 1 1 8 VAL H . . . . . . . . . . 43 . 51406 5
9 2 1 . . 123.023 . . 1 . 1 1 8 VAL N . . . . . . . . . . 44 . 51406 5
9 3 1 . . 174.892 . . 1 . 1 1 7 HIS C . . . . . . . . . . 168 . 51406 5
10 1 1 . . 7.612 . . 1 . 1 1 31 THR H . . . . . . . . . . 51 . 51406 5
10 2 1 . . 121.154 . . 1 . 1 1 31 THR N . . . . . . . . . . 52 . 51406 5
10 3 2 . . 173.898 . . 1 . 1 1 30 THR C . . . . . . . . . . 178 . 51406 5
11 1 1 . . 7.883 . . 1 . 1 1 20 GLN H . . . . . . . . . . 55 . 51406 5
11 2 1 . . 126.830 . . 1 . 1 1 20 GLN N . . . . . . . . . . 56 . 51406 5
11 3 1 . . 173.398 . . 1 . 1 1 19 SER C . . . . . . . . . . 183 . 51406 5
12 1 1 . . 7.482 . . 1 . 1 1 28 HIS H . . . . . . . . . . 60 . 51406 5
12 2 1 . . 124.977 . . 1 . 1 1 28 HIS N . . . . . . . . . . 61 . 51406 5
12 3 1 . . 176.113 . . 1 . 1 1 27 LEU C . . . . . . . . . . 188 . 51406 5
13 1 1 . . 7.592 . . 1 . 1 1 22 TYR H . . . . . . . . . . 62 . 51406 5
13 2 1 . . 126.300 . . 1 . 1 1 22 TYR N . . . . . . . . . . 63 . 51406 5
13 3 2 . . 174.370 . . 1 . 1 1 21 GLN C . . . . . . . . . . 194 . 51406 5
14 1 1 . . 7.568 . . 1 . 1 1 6 TYR H . . . . . . . . . . 64 . 51406 5
14 2 1 . . 126.778 . . 1 . 1 1 6 TYR N . . . . . . . . . . 65 . 51406 5
14 3 2 . . 173.111 . . 1 . 1 1 5 THR C . . . . . . . . . . 200 . 51406 5
15 1 1 . . 7.654 . . 1 . 1 1 30 THR H . . . . . . . . . . 86 . 51406 5
15 2 1 . . 120.863 . . 1 . 1 1 30 THR N . . . . . . . . . . 87 . 51406 5
15 3 2 . . 175.586 . . 1 . 1 1 29 LYS C . . . . . . . . . . 211 . 51406 5
16 1 1 . . 7.877 . . 1 . 1 1 32 LYS H . . . . . . . . . . 72 . 51406 5
16 2 1 . . 128.789 . . 1 . 1 1 32 LYS N . . . . . . . . . . 73 . 51406 5
16 3 2 . . 173.423 . . 1 . 1 1 31 THR C . . . . . . . . . . 215 . 51406 5
17 1 1 . . 7.950 . . 1 . . . . . . . . . . . . . . . . 90 . 51406 5
17 2 1 . . 123.668 . . 1 . . . . . . . . . . . . . . . . 91 . 51406 5
17 3 1 . . 176.451 . . 1 . . . . . . . . . . . . . . . . 224 . 51406 5
18 1 1 . . 8.150 . . 1 . 1 1 43 LEU H . . . . . . . . . . 78 . 51406 5
18 2 1 . . 124.505 . . 1 . 1 1 43 LEU N . . . . . . . . . . 79 . 51406 5
18 3 1 . . 175.276 . . 1 . 1 1 42 GLN C . . . . . . . . . . 226 . 51406 5
19 1 1 . . 8.157 . . 1 . 1 1 10 ALA H . . . . . . . . . . 49 . 51406 5
19 2 1 . . 125.304 . . 1 . 1 1 10 ALA N . . . . . . . . . . 50 . 51406 5
19 3 2 . . 175.946 . . 1 . 1 1 9 ASP C . . . . . . . . . . 158 . 51406 5
20 1 1 . . 7.530 . . 1 . . . . . . . . . . . . . . . . 45 . 51406 5
20 2 1 . . 127.499 . . 1 . . . . . . . . . . . . . . . . 46 . 51406 5
20 3 1 . . 174.748 . . 1 . . . . . . . . . . . . . . . . 234 . 51406 5
21 1 1 . . 7.804 . . 1 . 1 1 11 ASN H . . . . . . . . . . 21 . 51406 5
21 2 1 . . 119.881 . . 1 . 1 1 11 ASN N . . . . . . . . . . 22 . 51406 5
21 3 1 . . 177.664 . . 1 . 1 1 10 ALA C . . . . . . . . . . 294 . 51406 5
22 1 1 . . 7.935 . . 1 . 1 1 13 HIS H . . . . . . . . . . 35 . 51406 5
22 2 1 . . 120.124 . . 1 . 1 1 13 HIS N . . . . . . . . . . 36 . 51406 5
22 3 1 . . 176.095 . . 1 . 1 1 12 ASP C . . . . . . . . . . 295 . 51406 5
23 1 1 . . 7.888 . . 1 . . . . . . . . . . . . . . . . 98 . 51406 5
23 2 1 . . 122.990 . . 1 . . . . . . . . . . . . . . . . 99 . 51406 5
23 3 1 . . 175.142 . . 1 . . . . . . . . . . . . . . . . 301 . 51406 5
24 1 1 . . 7.574 . . 1 . 1 1 38 GLY H . . . . . . . . . . 3 . 51406 5
24 2 1 . . 115.087 . . 1 . 1 1 38 GLY N . . . . . . . . . . 4 . 51406 5
24 3 1 . . 176.482 . . 1 . 1 1 37 LEU C . . . . . . . . . . 339 . 51406 5
25 1 1 . . 7.944 . . 1 . 1 1 24 LEU H . . . . . . . . . . 59 . 51406 5
25 2 1 . . 122.545 . . 1 . 1 1 24 LEU N . . . . . . . . . . 328 . 51406 5
25 3 1 . . 175.618 . . 1 . 1 1 23 ASP C . . . . . . . . . . 345 . 51406 5
stop_
save_
#########################
# Spectral peak lists #
#########################
save_spectral_peak_list_6
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_6
_Spectral_peak_list.Entry_ID 51406
_Spectral_peak_list.ID 6
_Spectral_peak_list.Name 'peak list 1 2 3 4 5 6'
_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 'HN(CA)CO (H[N[ca[CO]]])'
_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 '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 . aliased 5252.10084034 Hz . . . . . . 51406 6
2 . . N 15 15N . aliased 2553.62614913 Hz . . . . . . 51406 6
3 . . C 13 13C . aliased 3872.96669249 Hz . . . . . . 51406 6
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 . . 51406 6
stop_
loop_
_Peak.ID
_Peak.Figure_of_merit
_Peak.Type
_Peak.Restraint
_Peak.Details
_Peak.Entry_ID
_Peak.Spectral_peak_list_ID
1 1.0 . . . 51406 6
2 1.0 . . . 51406 6
3 1.0 . . . 51406 6
4 1.0 . . . 51406 6
5 1.0 . . . 51406 6
6 1.0 . . . 51406 6
7 1.0 . . . 51406 6
8 1.0 . . . 51406 6
9 1.0 . . . 51406 6
10 1.0 . . . 51406 6
11 1.0 . . . 51406 6
12 1.0 . . . 51406 6
13 1.0 . . . 51406 6
14 1.0 . . . 51406 6
15 1.0 . . . 51406 6
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 23381.90625 . height 51406 6
1 510319.34375 . volume 51406 6
2 291277.65625 . height 51406 6
2 5556513.56250 . volume 51406 6
3 100127.15625 . height 51406 6
3 1909017.75000 . volume 51406 6
4 27614.46875 . height 51406 6
4 553214.78125 . volume 51406 6
5 90908.59375 . height 51406 6
5 2007228.25000 . volume 51406 6
6 36358.18750 . height 51406 6
6 739980.65625 . volume 51406 6
7 225900.43750 . height 51406 6
7 4741143.34375 . volume 51406 6
8 37230.21875 . height 51406 6
8 842660.06250 . volume 51406 6
9 27140.15625 . height 51406 6
9 601911.18750 . volume 51406 6
10 41397.31250 . height 51406 6
10 959472.12500 . volume 51406 6
11 38972.93750 . height 51406 6
11 917076.50000 . volume 51406 6
12 31671.40625 . height 51406 6
12 630191.28125 . volume 51406 6
13 45494.00000 . height 51406 6
13 819969.65625 . volume 51406 6
14 49588.37500 . height 51406 6
14 966501.12500 . volume 51406 6
15 29413.25000 . height 51406 6
15 655448.31250 . volume 51406 6
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 7.736 . 27.7728217990 . . . . . . . . . . . 51406 6
1 2 127.883 . 52.0090480260 . . . . . . . . . . . 51406 6
1 3 175.146 . 48.6428842907 . . . . . . . . . . . 51406 6
2 1 7.652 . 14.9625189164 . . . . . . . . . . . 51406 6
2 2 128.707 . 57.8261325868 . . . . . . . . . . . 51406 6
2 3 182.276 . 29.9574514399 . . . . . . . . . . . 51406 6
3 1 7.652 . 14.2459483708 . . . . . . . . . . . 51406 6
3 2 128.742 . 56.7722825887 . . . . . . . . . . . 51406 6
3 3 176.044 . 36.2450258387 . . . . . . . . . . . 51406 6
5 1 8.385 . 26.2229132051 . . . . . . . . . . . 51406 6
5 2 124.481 . 68.2415343646 . . . . . . . . . . . 51406 6
5 3 175.941 . 38.4985523386 . . . . . . . . . . . 51406 6
6 1 8.384 . 18.3202889787 . . . . . . . . . . . 51406 6
6 2 124.646 . 58.3553977836 . . . . . . . . . . . 51406 6
6 3 175.239 . 35.6704481437 . . . . . . . . . . . 51406 6
7 1 7.772 . 21.1111262065 . . . . . . . . . . . 51406 6
7 2 123.037 . 57.0819497230 . . . . . . . . . . . 51406 6
7 3 175.222 . 32.2518378242 . . . . . . . . . . . 51406 6
8 1 8.156 . 45.3480527181 . . . . . . . . . . . 51406 6
8 2 125.250 . 63.0361736734 . . . . . . . . . . . 51406 6
8 3 177.560 . 47.4457127655 . . . . . . . . . . . 51406 6
12 1 7.935 . 29.4564025743 . . . . . . . . . . . 51406 6
12 2 120.176 . 67.2927459243 . . . . . . . . . . . 51406 6
12 3 175.683 . 30.1887599375 . . . . . . . . . . . 51406 6
13 1 7.487 . 14.5552413804 . . . . . . . . . . . 51406 6
13 2 124.922 . 60.0374481651 . . . . . . . . . . . 51406 6
13 3 180.091 . 28.9776221806 . . . . . . . . . . . 51406 6
14 1 7.591 . 14.2343655354 . . . . . . . . . . . 51406 6
14 2 126.223 . 64.8781946414 . . . . . . . . . . . 51406 6
14 3 180.294 . 36.9826968006 . . . . . . . . . . . 51406 6
15 1 7.950 . 26.0256919540 . . . . . . . . . . . 51406 6
15 2 123.525 . 85.0834995052 . . . . . . . . . . . 51406 6
15 3 179.462 . 45.9303189210 . . . . . . . . . . . 51406 6
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 . . 7.736 . . 1 . 1 1 18 LYS H . . . . . . . . . . 9 . 51406 6
1 2 1 . . 127.883 . . 1 . 1 1 18 LYS N . . . . . . . . . . 10 . 51406 6
1 3 2 . . 175.146 . . 1 . 1 1 17 ARG C . . . . . . . . . . 128 . 51406 6
2 1 1 . . 7.652 . . 1 . 1 1 44 LEU H . . . . . . . . . . 19 . 51406 6
2 2 1 . . 128.707 . . 1 . 1 1 44 LEU N . . . . . . . . . . 20 . 51406 6
2 3 1 . . 182.276 . . 1 . 1 1 44 LEU C . . . . . . . . . . 138 . 51406 6
3 1 1 . . 7.652 . . 1 . 1 1 44 LEU H . . . . . . . . . . 19 . 51406 6
3 2 1 . . 128.742 . . 1 . 1 1 44 LEU N . . . . . . . . . . 20 . 51406 6
3 3 1 . . 176.044 . . 1 . 1 1 43 LEU C . . . . . . . . . . 139 . 51406 6
5 1 1 . . 8.385 . . 1 . 1 1 9 ASP H . . . . . . . . . . 31 . 51406 6
5 2 1 . . 124.481 . . 1 . 1 1 9 ASP N . . . . . . . . . . 32 . 51406 6
5 3 1 . . 175.941 . . 1 . 1 1 9 ASP C . . . . . . . . . . 158 . 51406 6
6 1 1 . . 8.384 . . 1 . 1 1 9 ASP H . . . . . . . . . . 31 . 51406 6
6 2 1 . . 124.646 . . 1 . 1 1 9 ASP N . . . . . . . . . . 32 . 51406 6
6 3 1 . . 175.239 . . 1 . 1 1 8 VAL C . . . . . . . . . . 169 . 51406 6
7 1 1 . . 7.772 . . 1 . 1 1 8 VAL H . . . . . . . . . . 43 . 51406 6
7 2 1 . . 123.037 . . 1 . 1 1 8 VAL N . . . . . . . . . . 44 . 51406 6
7 3 1 . . 175.222 . . 1 . 1 1 8 VAL C . . . . . . . . . . 169 . 51406 6
8 1 1 . . 8.156 . . 1 . 1 1 10 ALA H . . . . . . . . . . 49 . 51406 6
8 2 1 . . 125.250 . . 1 . 1 1 10 ALA N . . . . . . . . . . 50 . 51406 6
8 3 1 . . 177.560 . . 1 . 1 1 10 ALA C . . . . . . . . . . 294 . 51406 6
12 1 1 . . 7.935 . . 1 . 1 1 13 HIS H . . . . . . . . . . 35 . 51406 6
12 2 1 . . 120.176 . . 1 . 1 1 13 HIS N . . . . . . . . . . 36 . 51406 6
12 3 1 . . 175.683 . . 1 . 1 1 13 HIS C . . . . . . . . . . 296 . 51406 6
13 1 1 . . 7.487 . . 1 . 1 1 28 HIS H . . . . . . . . . . 60 . 51406 6
13 2 1 . . 124.922 . . 1 . 1 1 28 HIS N . . . . . . . . . . 61 . 51406 6
13 3 1 . . 180.091 . . 1 . 1 1 28 HIS C . . . . . . . . . . 298 . 51406 6
14 1 1 . . 7.591 . . 1 . 1 1 22 TYR H . . . . . . . . . . 62 . 51406 6
14 2 1 . . 126.223 . . 1 . 1 1 22 TYR N . . . . . . . . . . 63 . 51406 6
14 3 1 . . 180.294 . . 1 . 1 1 22 TYR C . . . . . . . . . . 299 . 51406 6
15 1 1 . . 7.950 . . 1 . . . . . . . . . . . . . . . . 90 . 51406 6
15 2 1 . . 123.525 . . 1 . . . . . . . . . . . . . . . . 91 . 51406 6
15 3 1 . . 179.462 . . 1 . . . . . . . . . . . . . . . . 300 . 51406 6
stop_
save_
#########################
# Spectral peak lists #
#########################
save_spectral_peak_list_7
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_7
_Spectral_peak_list.Entry_ID 51406
_Spectral_peak_list.ID 7
_Spectral_peak_list.Name 'peak list 1 2 3 4 5 6 7'
_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 7
_Spectral_peak_list.Experiment_name '3D CBCA(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 '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 . aliased 4901.96078431 Hz . . . . . . 51406 7
2 . . N 15 15N . aliased 2483.85494287 Hz . . . . . . 51406 7
3 . . C 13 13C . aliased 14084.50704230 Hz . . . . . . 51406 7
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 . . 51406 7
stop_
loop_
_Peak.ID
_Peak.Figure_of_merit
_Peak.Type
_Peak.Restraint
_Peak.Details
_Peak.Entry_ID
_Peak.Spectral_peak_list_ID
1 1.0 . . . 51406 7
2 1.0 . . . 51406 7
3 1.0 . . . 51406 7
4 1.0 . . . 51406 7
5 1.0 . . . 51406 7
6 1.0 . . . 51406 7
7 1.0 . . . 51406 7
8 1.0 . . . 51406 7
9 1.0 . . . 51406 7
10 1.0 . . . 51406 7
11 1.0 . . . 51406 7
12 1.0 . . . 51406 7
13 1.0 . . . 51406 7
14 1.0 . . . 51406 7
15 1.0 . . . 51406 7
16 1.0 . . . 51406 7
17 1.0 . . . 51406 7
18 1.0 . . . 51406 7
19 1.0 . . . 51406 7
20 1.0 . . . 51406 7
21 1.0 . . . 51406 7
22 1.0 . . . 51406 7
23 1.0 . . . 51406 7
24 1.0 . . . 51406 7
25 1.0 . . . 51406 7
26 1.0 . . . 51406 7
27 1.0 . . . 51406 7
28 1.0 . . . 51406 7
29 1.0 . . . 51406 7
30 1.0 . . . 51406 7
31 1.0 . . . 51406 7
32 1.0 . . . 51406 7
33 1.0 . . . 51406 7
34 1.0 . . . 51406 7
35 1.0 . . . 51406 7
36 1.0 . . . 51406 7
37 1.0 . . . 51406 7
38 1.0 . . . 51406 7
39 1.0 . . . 51406 7
40 1.0 . . . 51406 7
41 1.0 . . . 51406 7
42 1.0 . . . 51406 7
43 1.0 . . . 51406 7
44 1.0 . . . 51406 7
45 1.0 . . . 51406 7
46 1.0 . . . 51406 7
47 1.0 . . . 51406 7
48 1.0 . . . 51406 7
49 1.0 . . . 51406 7
50 1.0 . . . 51406 7
51 1.0 . . . 51406 7
52 1.0 . . . 51406 7
53 1.0 . . . 51406 7
54 1.0 . . . 51406 7
55 1.0 . . . 51406 7
56 1.0 . . . 51406 7
57 1.0 . . . 51406 7
58 1.0 . . . 51406 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 586320.1875000 . height 51406 7
1 12535465.8438000 . volume 51406 7
2 815986.5000000 . height 51406 7
2 17994109.8750000 . volume 51406 7
3 204915.0000000 . height 51406 7
3 4155041.6406200 . volume 51406 7
4 460714.3750000 . height 51406 7
4 9087817.8437500 . volume 51406 7
5 384090.4687500 . height 51406 7
5 7646675.8750000 . volume 51406 7
6 157519.9843750 . height 51406 7
6 3003592.4765600 . volume 51406 7
7 124619.8125000 . height 51406 7
7 2576752.5781200 . volume 51406 7
8 1329487.8750000 . height 51406 7
8 25994521.0000000 . volume 51406 7
9 1215244.7500000 . height 51406 7
9 23548549.5938000 . volume 51406 7
10 726019.8125000 . height 51406 7
10 15160019.0312000 . volume 51406 7
11 947267.8750000 . height 51406 7
11 19819523.9375000 . volume 51406 7
12 184290.3125000 . height 51406 7
12 3771099.2734400 . volume 51406 7
13 140573.8750000 . height 51406 7
13 2664073.6796900 . volume 51406 7
14 1167981.5000000 . height 51406 7
14 24452293.4375000 . volume 51406 7
15 517096.7187500 . height 51406 7
15 10594972.9688000 . volume 51406 7
16 465113.5625000 . height 51406 7
16 10073611.9688000 . volume 51406 7
17 599710.8750000 . height 51406 7
17 13290424.7812000 . volume 51406 7
18 244358.7812500 . height 51406 7
18 5414662.4687500 . volume 51406 7
19 264139.2500000 . height 51406 7
19 5853834.2968800 . volume 51406 7
20 583941.8125000 . height 51406 7
20 11845126.3438000 . volume 51406 7
21 1055666.7500000 . height 51406 7
21 20318102.4688000 . volume 51406 7
22 1455613.0000000 . height 51406 7
22 30120572.0000000 . volume 51406 7
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23 35432985.8750000 . volume 51406 7
24 555107.8750000 . height 51406 7
24 10990376.1250000 . volume 51406 7
25 353354.6250000 . height 51406 7
25 7044274.0000000 . volume 51406 7
26 435152.6875000 . height 51406 7
26 9443811.5312500 . volume 51406 7
27 635351.7500000 . height 51406 7
27 13970135.8438000 . volume 51406 7
28 319996.4062500 . height 51406 7
28 7055566.9531200 . volume 51406 7
29 241697.5937500 . height 51406 7
29 5477982.1406200 . volume 51406 7
30 243395.5937500 . height 51406 7
30 4799332.8906200 . volume 51406 7
31 351256.4375000 . height 51406 7
31 6979107.1562500 . volume 51406 7
32 229770.1562500 . height 51406 7
32 4819337.6015600 . volume 51406 7
33 345238.9375000 . height 51406 7
33 7252892.6406200 . volume 51406 7
34 106304.4921880 . height 51406 7
34 2055653.6953100 . volume 51406 7
35 108513.6875000 . height 51406 7
35 2202388.8515600 . volume 51406 7
36 83569.5468750 . height 51406 7
36 1700481.3593800 . volume 51406 7
37 123892.2187500 . height 51406 7
37 2617024.5546900 . volume 51406 7
38 140590.6718750 . height 51406 7
38 2911590.3281200 . volume 51406 7
39 232123.7500000 . height 51406 7
39 4553872.3046900 . volume 51406 7
40 184243.0937500 . height 51406 7
40 3589659.4062500 . volume 51406 7
41 178481.2187500 . height 51406 7
41 3525449.2890600 . volume 51406 7
42 246459.8281250 . height 51406 7
42 5253417.9843800 . volume 51406 7
43 217217.0781250 . height 51406 7
43 4612822.3359400 . volume 51406 7
44 269094.0312500 . height 51406 7
44 5494298.8906200 . volume 51406 7
45 260077.0468750 . height 51406 7
45 5328940.3515600 . volume 51406 7
46 195336.1875000 . height 51406 7
46 3776002.8203100 . volume 51406 7
47 194309.5937500 . height 51406 7
47 3711538.3750000 . volume 51406 7
48 251596.7500000 . height 51406 7
48 4941104.8046900 . volume 51406 7
49 316675.1250000 . height 51406 7
49 6192446.0312500 . volume 51406 7
50 54452.3515625 . height 51406 7
50 1057603.5546900 . volume 51406 7
51 74545.7343750 . height 51406 7
51 1570621.3906200 . volume 51406 7
52 221076.8125000 . height 51406 7
52 4549721.7031200 . volume 51406 7
53 183315.1718750 . height 51406 7
53 3930895.3437500 . volume 51406 7
54 601806.2500000 . height 51406 7
54 12723399.7500000 . volume 51406 7
55 49275.7187500 . height 51406 7
55 1011866.5546900 . volume 51406 7
56 56825.6562500 . height 51406 7
56 1026418.5703100 . volume 51406 7
57 -5486.2109375 . height 51406 7
57 -127076.1484380 . volume 51406 7
58 19509.4062500 . height 51406 7
58 353248.6562500 . volume 51406 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 8.058 . 27.4026510762 . . . . . . . . . . . 51406 7
1 2 123.501 . 45.8632277069 . . . . . . . . . . . 51406 7
1 3 53.724 . 111.5160928650 . . . . . . . . . . . 51406 7
2 1 8.054 . 29.2495185254 . . . . . . . . . . . 51406 7
2 2 123.471 . 49.8120724355 . . . . . . . . . . . 51406 7
2 3 40.601 . 118.5872185400 . . . . . . . . . . . 51406 7
3 1 7.867 . 18.6822578019 . . . . . . . . . . . 51406 7
3 2 123.526 . 50.2751706195 . . . . . . . . . . . 51406 7
3 3 32.717 . 113.3159852360 . . . . . . . . . . . 51406 7
4 1 7.790 . 16.9172006495 . . . . . . . . . . . 51406 7
4 2 124.284 . 47.7979358487 . . . . . . . . . . . 51406 7
4 3 54.761 . 106.0668851290 . . . . . . . . . . . 51406 7
5 1 7.791 . 18.6606365092 . . . . . . . . . . . 51406 7
5 2 124.279 . 48.8446443400 . . . . . . . . . . . 51406 7
5 3 41.830 . 122.8795924660 . . . . . . . . . . . 51406 7
6 1 7.716 . 17.5079878639 . . . . . . . . . . . 51406 7
6 2 128.021 . 46.1351942554 . . . . . . . . . . . 51406 7
6 3 55.685 . 91.6891534564 . . . . . . . . . . . 51406 7
7 1 7.720 . 18.9703469183 . . . . . . . . . . . 51406 7
7 2 128.019 . 53.6125717741 . . . . . . . . . . . 51406 7
7 3 30.154 . 106.4950311690 . . . . . . . . . . . 51406 7
8 1 7.641 . 18.0768616059 . . . . . . . . . . . 51406 7
8 2 128.725 . 45.4656413344 . . . . . . . . . . . 51406 7
8 3 54.841 . 113.4654165990 . . . . . . . . . . . 51406 7
9 1 7.640 . 18.4260162653 . . . . . . . . . . . 51406 7
9 2 128.724 . 44.9296288744 . . . . . . . . . . . 51406 7
9 3 41.732 . 111.2508102200 . . . . . . . . . . . 51406 7
10 1 7.784 . 23.2110420863 . . . . . . . . . . . 51406 7
10 2 119.841 . 44.6414509284 . . . . . . . . . . . 51406 7
10 3 52.752 . 115.9201205620 . . . . . . . . . . . 51406 7
11 1 7.784 . 24.1328688229 . . . . . . . . . . . 51406 7
11 2 119.844 . 45.2452699639 . . . . . . . . . . . 51406 7
11 3 18.554 . 113.8557850480 . . . . . . . . . . . 51406 7
12 1 7.827 . 17.2967419905 . . . . . . . . . . . 51406 7
12 2 127.513 . 56.1179359103 . . . . . . . . . . . 51406 7
12 3 55.481 . 112.3690269360 . . . . . . . . . . . 51406 7
13 1 7.829 . 14.7463059893 . . . . . . . . . . . 51406 7
13 2 127.477 . 54.3386795245 . . . . . . . . . . . 51406 7
13 3 29.181 . 100.7687877600 . . . . . . . . . . . 51406 7
14 1 8.376 . 23.5847398347 . . . . . . . . . . . 51406 7
14 2 124.540 . 45.0503630716 . . . . . . . . . . . 51406 7
14 3 61.870 . 113.6106504520 . . . . . . . . . . . 51406 7
15 1 8.376 . 22.8946115456 . . . . . . . . . . . 51406 7
15 2 124.554 . 43.1472634535 . . . . . . . . . . . 51406 7
15 3 32.568 . 112.0130780720 . . . . . . . . . . . 51406 7
16 1 7.912 . 30.1511848674 . . . . . . . . . . . 51406 7
16 2 120.209 . 46.0588748456 . . . . . . . . . . . 51406 7
16 3 54.138 . 121.6493022270 . . . . . . . . . . . 51406 7
17 1 7.912 . 30.5988040625 . . . . . . . . . . . 51406 7
17 2 120.200 . 46.7897201733 . . . . . . . . . . . 51406 7
17 3 40.470 . 113.2706521260 . . . . . . . . . . . 51406 7
18 1 8.004 . 33.6634762147 . . . . . . . . . . . 51406 7
18 2 120.792 . 48.1405219094 . . . . . . . . . . . 51406 7
18 3 56.804 . 127.0468805880 . . . . . . . . . . . 51406 7
19 1 8.005 . 34.6837674870 . . . . . . . . . . . 51406 7
19 2 120.826 . 51.2994496430 . . . . . . . . . . . 51406 7
19 3 30.650 . 110.7983186210 . . . . . . . . . . . 51406 7
20 1 7.421 . 17.8965867734 . . . . . . . . . . . 51406 7
20 2 129.088 . 46.1028084729 . . . . . . . . . . . 51406 7
20 3 52.880 . 112.2892742430 . . . . . . . . . . . 51406 7
21 1 7.421 . 17.2266188790 . . . . . . . . . . . 51406 7
21 2 129.091 . 47.1860481268 . . . . . . . . . . . 51406 7
21 3 38.665 . 113.7617608190 . . . . . . . . . . . 51406 7
22 1 7.759 . 23.4810160656 . . . . . . . . . . . 51406 7
22 2 123.138 . 44.0818246064 . . . . . . . . . . . 51406 7
22 3 56.310 . 114.2893878510 . . . . . . . . . . . 51406 7
23 1 7.759 . 23.6513567906 . . . . . . . . . . . 51406 7
23 2 123.142 . 44.3112269836 . . . . . . . . . . . 51406 7
23 3 31.273 . 113.6366750150 . . . . . . . . . . . 51406 7
24 1 7.520 . 17.3981283225 . . . . . . . . . . . 51406 7
24 2 127.476 . 49.7030341323 . . . . . . . . . . . 51406 7
24 3 40.509 . 110.4171846950 . . . . . . . . . . . 51406 7
25 1 7.521 . 16.1654224583 . . . . . . . . . . . 51406 7
25 2 127.498 . 48.6142426300 . . . . . . . . . . . 51406 7
25 3 53.910 . 122.2134475980 . . . . . . . . . . . 51406 7
26 1 8.157 . 28.2961363886 . . . . . . . . . . . 51406 7
26 2 125.303 . 44.7966806106 . . . . . . . . . . . 51406 7
26 3 53.822 . 111.7364621500 . . . . . . . . . . . 51406 7
27 1 8.157 . 28.3954774632 . . . . . . . . . . . 51406 7
27 2 125.288 . 47.4777792558 . . . . . . . . . . . 51406 7
27 3 40.991 . 115.9150835490 . . . . . . . . . . . 51406 7
28 1 7.897 . 30.3390563703 . . . . . . . . . . . 51406 7
28 2 120.791 . 52.9001585832 . . . . . . . . . . . 51406 7
28 3 55.818 . 106.8396467560 . . . . . . . . . . . 51406 7
29 1 7.897 . 26.5953587551 . . . . . . . . . . . 51406 7
29 2 120.779 . 51.4718530430 . . . . . . . . . . . 51406 7
29 3 28.832 . 129.6199543380 . . . . . . . . . . . 51406 7
30 1 7.869 . 18.4967237360 . . . . . . . . . . . 51406 7
30 2 126.821 . 46.7294270993 . . . . . . . . . . . 51406 7
30 3 58.274 . 103.2721828410 . . . . . . . . . . . 51406 7
31 1 7.868 . 18.7769240024 . . . . . . . . . . . 51406 7
31 2 126.805 . 50.4640445032 . . . . . . . . . . . 51406 7
31 3 63.465 . 107.4277179340 . . . . . . . . . . . 51406 7
32 1 7.937 . 22.9247060477 . . . . . . . . . . . 51406 7
32 2 122.597 . 43.6276093799 . . . . . . . . . . . 51406 7
32 3 53.847 . 124.3990911560 . . . . . . . . . . . 51406 7
33 1 7.937 . 23.3308357351 . . . . . . . . . . . 51406 7
33 2 122.570 . 45.5763822045 . . . . . . . . . . . 51406 7
33 3 40.661 . 119.9975819650 . . . . . . . . . . . 51406 7
34 1 7.470 . 20.4864670249 . . . . . . . . . . . 51406 7
34 2 125.119 . 48.0889267313 . . . . . . . . . . . 51406 7
34 3 54.779 . 115.4932337750 . . . . . . . . . . . 51406 7
35 1 7.470 . 19.7837750117 . . . . . . . . . . . 51406 7
35 2 125.142 . 46.3967233289 . . . . . . . . . . . 51406 7
35 3 41.765 . 97.1480154655 . . . . . . . . . . . 51406 7
36 1 8.114 . 24.9454203774 . . . . . . . . . . . 51406 7
36 2 123.892 . 58.6142690396 . . . . . . . . . . . 51406 7
36 3 53.649 . 106.7049066790 . . . . . . . . . . . 51406 7
37 1 8.109 . 32.5675104179 . . . . . . . . . . . 51406 7
37 2 123.776 . 58.3176522840 . . . . . . . . . . . 51406 7
37 3 40.573 . 107.4990756080 . . . . . . . . . . . 51406 7
38 1 7.936 . 16.8987933327 . . . . . . . . . . . 51406 7
38 2 123.591 . 46.8851379417 . . . . . . . . . . . 51406 7
38 3 51.954 . 129.4583501950 . . . . . . . . . . . 51406 7
39 1 7.937 . 17.1670142342 . . . . . . . . . . . 51406 7
39 2 123.585 . 47.9214089579 . . . . . . . . . . . 51406 7
39 3 19.264 . 105.6194305420 . . . . . . . . . . . 51406 7
40 1 7.637 . 14.4985376620 . . . . . . . . . . . 51406 7
40 2 121.016 . 56.4640011292 . . . . . . . . . . . 51406 7
40 3 55.905 . 107.0491025150 . . . . . . . . . . . 51406 7
41 1 7.638 . 15.7703955968 . . . . . . . . . . . 51406 7
41 2 120.946 . 55.2364504284 . . . . . . . . . . . 51406 7
41 3 32.631 . 107.9322586600 . . . . . . . . . . . 51406 7
42 1 8.146 . 23.0430387983 . . . . . . . . . . . 51406 7
42 2 124.555 . 47.6775717747 . . . . . . . . . . . 51406 7
42 3 55.443 . 116.9287822620 . . . . . . . . . . . 51406 7
43 1 8.142 . 22.2965198405 . . . . . . . . . . . 51406 7
43 2 124.552 . 52.7597338302 . . . . . . . . . . . 51406 7
43 3 29.070 . 119.8641011410 . . . . . . . . . . . 51406 7
44 1 7.864 . 18.0453062057 . . . . . . . . . . . 51406 7
44 2 128.816 . 49.9609730105 . . . . . . . . . . . 51406 7
44 3 61.408 . 110.1590378180 . . . . . . . . . . . 51406 7
45 1 7.864 . 17.7797149209 . . . . . . . . . . . 51406 7
45 2 128.812 . 48.3339112964 . . . . . . . . . . . 51406 7
45 3 69.737 . 109.7241757620 . . . . . . . . . . . 51406 7
46 1 7.546 . 16.8935340994 . . . . . . . . . . . 51406 7
46 2 126.873 . 52.2891221447 . . . . . . . . . . . 51406 7
46 3 61.358 . 101.0584159640 . . . . . . . . . . . 51406 7
47 1 7.547 . 16.8421104843 . . . . . . . . . . . 51406 7
47 2 126.794 . 48.8654452654 . . . . . . . . . . . 51406 7
47 3 69.690 . 107.5150261460 . . . . . . . . . . . 51406 7
48 1 7.582 . 15.9091809217 . . . . . . . . . . . 51406 7
48 2 126.363 . 48.9118587183 . . . . . . . . . . . 51406 7
48 3 29.244 . 110.6556032740 . . . . . . . . . . . 51406 7
49 1 7.581 . 16.7287447873 . . . . . . . . . . . 51406 7
49 2 126.384 . 48.8315789900 . . . . . . . . . . . 51406 7
49 3 55.308 . 110.7382942250 . . . . . . . . . . . 51406 7
50 1 8.272 . 17.0748315605 . . . . . . . . . . . 51406 7
50 2 126.948 . 58.0960224946 . . . . . . . . . . . 51406 7
50 3 54.725 . 95.2012102369 . . . . . . . . . . . 51406 7
51 1 8.273 . 22.1730739463 . . . . . . . . . . . 51406 7
51 2 127.102 . 60.2087228972 . . . . . . . . . . . 51406 7
51 3 40.098 . 122.8443333800 . . . . . . . . . . . 51406 7
52 1 7.814 . 30.3516200944 . . . . . . . . . . . 51406 7
52 2 119.723 . 47.8296183971 . . . . . . . . . . . 51406 7
52 3 55.243 . 115.8957750020 . . . . . . . . . . . 51406 7
53 1 7.819 . 28.4854687896 . . . . . . . . . . . 51406 7
53 2 119.631 . 56.4081125217 . . . . . . . . . . . 51406 7
53 3 41.639 . 120.9949103880 . . . . . . . . . . . 51406 7
54 1 7.950 . 27.2279276567 . . . . . . . . . . . 51406 7
54 2 122.892 . 49.0882594492 . . . . . . . . . . . 51406 7
54 3 47.221 . 108.9329450900 . . . . . . . . . . . 51406 7
55 1 7.553 . 14.0880252801 . . . . . . . . . . . 51406 7
55 2 115.324 . 60.6825916671 . . . . . . . . . . . 51406 7
55 3 54.790 . 341.7100704890 . . . . . . . . . . . 51406 7
56 1 7.554 . 13.2430417865 . . . . . . . . . . . 51406 7
56 2 114.954 . 60.9931990808 . . . . . . . . . . . 51406 7
56 3 41.715 . 120.9395032530 . . . . . . . . . . . 51406 7
57 1 7.615 . 15.8066258711 . . . . . . . . . . . 51406 7
57 2 121.189 . 141.4679083370 . . . . . . . . . . . 51406 7
57 3 63.183 . 159.6384485000 . . . . . . . . . . . 51406 7
58 1 7.592 . 21.3285287221 . . . . . . . . . . . 51406 7
58 2 121.189 . 38.3743763681 . . . . . . . . . . . 51406 7
58 3 70.707 . 327.3978199760 . . . . . . . . . . . 51406 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 . . 8.058 . . 1 . . . . . . . . . . . . . . . . 1 . 51406 7
1 2 1 . . 123.501 . . 1 . . . . . . . . . . . . . . . . 2 . 51406 7
1 3 1 . . 53.724 . . 1 . . . . . . . . . . . . . . . . 103 . 51406 7
2 1 1 . . 8.054 . . 1 . . . . . . . . . . . . . . . . 1 . 51406 7
2 2 1 . . 123.471 . . 1 . . . . . . . . . . . . . . . . 2 . 51406 7
2 3 1 . . 40.601 . . 1 . . . . . . . . . . . . . . . . 105 . 51406 7
3 1 1 . . 7.867 . . 1 . . . . . . . . . . . . . . . . 5 . 51406 7
3 2 1 . . 123.526 . . 1 . . . . . . . . . . . . . . . . 6 . 51406 7
3 3 1 . . 32.717 . . 1 . . . . . . . . . . . . . . . . 112 . 51406 7
4 1 1 . . 7.790 . . 1 . 1 1 25 ASN H . . . . . . . . . . 7 . 51406 7
4 2 1 . . 124.284 . . 1 . 1 1 25 ASN N . . . . . . . . . . 8 . 51406 7
4 3 1 . . 54.761 . . 1 . 1 1 24 LEU CA . . . . . . . . . . 115 . 51406 7
5 1 1 . . 7.791 . . 1 . 1 1 25 ASN H . . . . . . . . . . 7 . 51406 7
5 2 1 . . 124.279 . . 1 . 1 1 25 ASN N . . . . . . . . . . 8 . 51406 7
5 3 1 . . 41.830 . . 1 . 1 1 24 LEU CB . . . . . . . . . . 117 . 51406 7
6 1 1 . . 7.716 . . 1 . 1 1 18 LYS H . . . . . . . . . . 9 . 51406 7
6 2 1 . . 128.021 . . 1 . 1 1 18 LYS N . . . . . . . . . . 10 . 51406 7
6 3 1 . . 55.685 . . 1 . 1 1 17 ARG CA . . . . . . . . . . 123 . 51406 7
7 1 1 . . 7.720 . . 1 . 1 1 18 LYS H . . . . . . . . . . 9 . 51406 7
7 2 1 . . 128.019 . . 1 . 1 1 18 LYS N . . . . . . . . . . 10 . 51406 7
7 3 1 . . 30.154 . . 1 . 1 1 17 ARG CB . . . . . . . . . . 125 . 51406 7
8 1 1 . . 7.641 . . 1 . 1 1 44 LEU H . . . . . . . . . . 19 . 51406 7
8 2 1 . . 128.725 . . 1 . 1 1 44 LEU N . . . . . . . . . . 20 . 51406 7
8 3 1 . . 54.841 . . 1 . 1 1 43 LEU CA . . . . . . . . . . 132 . 51406 7
9 1 1 . . 7.640 . . 1 . 1 1 44 LEU H . . . . . . . . . . 19 . 51406 7
9 2 1 . . 128.724 . . 1 . 1 1 44 LEU N . . . . . . . . . . 20 . 51406 7
9 3 1 . . 41.732 . . 1 . 1 1 43 LEU CB . . . . . . . . . . 134 . 51406 7
10 1 1 . . 7.784 . . 1 . 1 1 11 ASN H . . . . . . . . . . 21 . 51406 7
10 2 1 . . 119.841 . . 1 . 1 1 11 ASN N . . . . . . . . . . 22 . 51406 7
10 3 1 . . 52.752 . . 1 . 1 1 10 ALA CA . . . . . . . . . . 216 . 51406 7
11 1 1 . . 7.784 . . 1 . 1 1 11 ASN H . . . . . . . . . . 21 . 51406 7
11 2 1 . . 119.844 . . 1 . 1 1 11 ASN N . . . . . . . . . . 22 . 51406 7
11 3 1 . . 18.554 . . 1 . . . . . . . . . . . . . . . . 142 . 51406 7
12 1 1 . . 7.827 . . 1 . 1 1 35 ARG H . . . . . . . . . . 27 . 51406 7
12 2 1 . . 127.513 . . 1 . 1 1 35 ARG N . . . . . . . . . . 28 . 51406 7
12 3 1 . . 55.481 . . 1 . 1 1 34 GLN CA . . . . . . . . . . 148 . 51406 7
13 1 1 . . 7.829 . . 1 . 1 1 35 ARG H . . . . . . . . . . 27 . 51406 7
13 2 1 . . 127.477 . . 1 . 1 1 35 ARG N . . . . . . . . . . 28 . 51406 7
13 3 1 . . 29.181 . . 1 . 1 1 34 GLN CB . . . . . . . . . . 150 . 51406 7
14 1 1 . . 8.376 . . 1 . 1 1 9 ASP H . . . . . . . . . . 31 . 51406 7
14 2 1 . . 124.540 . . 1 . 1 1 9 ASP N . . . . . . . . . . 32 . 51406 7
14 3 1 . . 61.870 . . 1 . 1 1 8 VAL CA . . . . . . . . . . 154 . 51406 7
15 1 1 . . 8.376 . . 1 . 1 1 9 ASP H . . . . . . . . . . 31 . 51406 7
15 2 1 . . 124.554 . . 1 . 1 1 9 ASP N . . . . . . . . . . 32 . 51406 7
15 3 1 . . 32.568 . . 1 . 1 1 8 VAL CB . . . . . . . . . . 156 . 51406 7
16 1 1 . . 7.912 . . 1 . 1 1 13 HIS H . . . . . . . . . . 35 . 51406 7
16 2 1 . . 120.209 . . 1 . 1 1 13 HIS N . . . . . . . . . . 36 . 51406 7
16 3 1 . . 54.138 . . 1 . 1 1 12 ASP CA . . . . . . . . . . 159 . 51406 7
17 1 1 . . 7.912 . . 1 . 1 1 13 HIS H . . . . . . . . . . 35 . 51406 7
17 2 1 . . 120.200 . . 1 . 1 1 13 HIS N . . . . . . . . . . 36 . 51406 7
17 3 1 . . 40.470 . . 1 . 1 1 12 ASP CB . . . . . . . . . . 160 . 51406 7
18 1 1 . . 8.004 . . 1 . 1 1 14 ASP H . . . . . . . . . . 37 . 51406 7
18 2 1 . . 120.792 . . 1 . 1 1 14 ASP N . . . . . . . . . . 38 . 51406 7
18 3 2 . . 56.804 . . 1 . 1 1 13 HIS CA . . . . . . . . . . 242 . 51406 7
19 1 1 . . 8.005 . . 1 . 1 1 14 ASP H . . . . . . . . . . 37 . 51406 7
19 2 1 . . 120.826 . . 1 . 1 1 14 ASP N . . . . . . . . . . 38 . 51406 7
19 3 2 . . 30.650 . . 1 . 1 1 13 HIS CB . . . . . . . . . . 244 . 51406 7
20 1 1 . . 7.421 . . 1 . 1 1 26 ALA H . . . . . . . . . . 39 . 51406 7
20 2 1 . . 129.088 . . 1 . 1 1 26 ALA N . . . . . . . . . . 40 . 51406 7
20 3 1 . . 52.880 . . 1 . . . . . . . . . . . . . . . . 162 . 51406 7
21 1 1 . . 7.421 . . 1 . 1 1 26 ALA H . . . . . . . . . . 39 . 51406 7
21 2 1 . . 129.091 . . 1 . 1 1 26 ALA N . . . . . . . . . . 40 . 51406 7
21 3 1 . . 38.665 . . 1 . . . . . . . . . . . . . . . . 164 . 51406 7
22 1 1 . . 7.759 . . 1 . 1 1 8 VAL H . . . . . . . . . . 43 . 51406 7
22 2 1 . . 123.138 . . 1 . 1 1 8 VAL N . . . . . . . . . . 44 . 51406 7
22 3 1 . . 56.310 . . 1 . 1 1 7 HIS CA . . . . . . . . . . 166 . 51406 7
23 1 1 . . 7.759 . . 1 . 1 1 8 VAL H . . . . . . . . . . 43 . 51406 7
23 2 1 . . 123.142 . . 1 . 1 1 8 VAL N . . . . . . . . . . 44 . 51406 7
23 3 1 . . 31.273 . . 1 . 1 1 7 HIS CB . . . . . . . . . . 167 . 51406 7
24 1 1 . . 7.520 . . 1 . . . . . . . . . . . . . . . . 45 . 51406 7
24 2 1 . . 127.476 . . 1 . . . . . . . . . . . . . . . . 46 . 51406 7
24 3 1 . . 40.509 . . 1 . . . . . . . . . . . . . . . . 173 . 51406 7
25 1 1 . . 7.521 . . 1 . . . . . . . . . . . . . . . . 45 . 51406 7
25 2 1 . . 127.498 . . 1 . . . . . . . . . . . . . . . . 46 . 51406 7
25 3 1 . . 53.910 . . 1 . . . . . . . . . . . . . . . . 171 . 51406 7
26 1 1 . . 8.157 . . 1 . 1 1 10 ALA H . . . . . . . . . . 49 . 51406 7
26 2 1 . . 125.303 . . 1 . 1 1 10 ALA N . . . . . . . . . . 50 . 51406 7
26 3 2 . . 53.822 . . 1 . 1 1 9 ASP CA . . . . . . . . . . 153 . 51406 7
27 1 1 . . 8.157 . . 1 . 1 1 10 ALA H . . . . . . . . . . 49 . 51406 7
27 2 1 . . 125.288 . . 1 . 1 1 10 ALA N . . . . . . . . . . 50 . 51406 7
27 3 2 . . 40.991 . . 1 . 1 1 9 ASP CB . . . . . . . . . . 155 . 51406 7
28 1 1 . . 7.897 . . 1 . . . . . . . . . . . . . . . . 53 . 51406 7
28 2 1 . . 120.791 . . 1 . . . . . . . . . . . . . . . . 54 . 51406 7
28 3 1 . . 55.818 . . 1 . . . . . . . . . . . . . . . . 230 . 51406 7
29 1 1 . . 7.897 . . 1 . . . . . . . . . . . . . . . . 53 . 51406 7
29 2 1 . . 120.779 . . 1 . . . . . . . . . . . . . . . . 54 . 51406 7
29 3 1 . . 28.832 . . 1 . . . . . . . . . . . . . . . . 232 . 51406 7
30 1 1 . . 7.869 . . 1 . 1 1 20 GLN H . . . . . . . . . . 55 . 51406 7
30 2 1 . . 126.821 . . 1 . 1 1 20 GLN N . . . . . . . . . . 56 . 51406 7
30 3 1 . . 58.274 . . 1 . 1 1 19 SER CA . . . . . . . . . . 180 . 51406 7
31 1 1 . . 7.868 . . 1 . 1 1 20 GLN H . . . . . . . . . . 55 . 51406 7
31 2 1 . . 126.805 . . 1 . 1 1 20 GLN N . . . . . . . . . . 56 . 51406 7
31 3 1 . . 63.465 . . 1 . 1 1 19 SER CB . . . . . . . . . . 181 . 51406 7
32 1 1 . . 7.937 . . 1 . 1 1 24 LEU H . . . . . . . . . . 59 . 51406 7
32 2 1 . . 122.597 . . 1 . 1 1 24 LEU N . . . . . . . . . . 328 . 51406 7
32 3 1 . . 53.847 . . 1 . 1 1 23 ASP CA . . . . . . . . . . 245 . 51406 7
33 1 1 . . 7.937 . . 1 . 1 1 24 LEU H . . . . . . . . . . 59 . 51406 7
33 2 1 . . 122.570 . . 1 . 1 1 24 LEU N . . . . . . . . . . 328 . 51406 7
33 3 1 . . 40.661 . . 1 . 1 1 23 ASP CB . . . . . . . . . . 246 . 51406 7
34 1 1 . . 7.470 . . 1 . 1 1 28 HIS H . . . . . . . . . . 60 . 51406 7
34 2 1 . . 125.119 . . 1 . 1 1 28 HIS N . . . . . . . . . . 61 . 51406 7
34 3 1 . . 54.779 . . 1 . 1 1 27 LEU CA . . . . . . . . . . 185 . 51406 7
35 1 1 . . 7.470 . . 1 . 1 1 28 HIS H . . . . . . . . . . 60 . 51406 7
35 2 1 . . 125.142 . . 1 . 1 1 28 HIS N . . . . . . . . . . 61 . 51406 7
35 3 1 . . 41.765 . . 1 . 1 1 27 LEU CB . . . . . . . . . . 186 . 51406 7
36 1 1 . . 8.114 . . 1 . . . . . . . . . . . . . . . . 94 . 51406 7
36 2 1 . . 123.892 . . 1 . . . . . . . . . . . . . . . . 95 . 51406 7
36 3 1 . . 53.649 . . 1 . . . . . . . . . . . . . . . . 221 . 51406 7
37 1 1 . . 8.109 . . 1 . . . . . . . . . . . . . . . . 94 . 51406 7
37 2 1 . . 123.776 . . 1 . . . . . . . . . . . . . . . . 95 . 51406 7
37 3 1 . . 40.573 . . 1 . . . . . . . . . . . . . . . . 223 . 51406 7
38 1 1 . . 7.936 . . 1 . . . . . . . . . . . . . . . . 90 . 51406 7
38 2 1 . . 123.591 . . 1 . . . . . . . . . . . . . . . . 91 . 51406 7
38 3 1 . . 51.954 . . 1 . . . . . . . . . . . . . . . . 202 . 51406 7
39 1 1 . . 7.937 . . 1 . . . . . . . . . . . . . . . . 90 . 51406 7
39 2 1 . . 123.585 . . 1 . . . . . . . . . . . . . . . . 91 . 51406 7
39 3 1 . . 19.264 . . 1 . . . . . . . . . . . . . . . . 204 . 51406 7
40 1 1 . . 7.637 . . 1 . 1 1 30 THR H . . . . . . . . . . 86 . 51406 7
40 2 1 . . 121.016 . . 1 . 1 1 30 THR N . . . . . . . . . . 87 . 51406 7
40 3 1 . . 55.905 . . 1 . 1 1 29 LYS CA . . . . . . . . . . 207 . 51406 7
41 1 1 . . 7.638 . . 1 . 1 1 30 THR H . . . . . . . . . . 86 . 51406 7
41 2 1 . . 120.946 . . 1 . 1 1 30 THR N . . . . . . . . . . 87 . 51406 7
41 3 1 . . 32.631 . . 1 . 1 1 29 LYS CB . . . . . . . . . . 208 . 51406 7
42 1 1 . . 8.146 . . 1 . 1 1 43 LEU H . . . . . . . . . . 78 . 51406 7
42 2 1 . . 124.555 . . 1 . 1 1 43 LEU N . . . . . . . . . . 79 . 51406 7
42 3 1 . . 55.443 . . 1 . 1 1 42 GLN CA . . . . . . . . . . 225 . 51406 7
43 1 1 . . 8.142 . . 1 . 1 1 43 LEU H . . . . . . . . . . 78 . 51406 7
43 2 1 . . 124.552 . . 1 . 1 1 43 LEU N . . . . . . . . . . 79 . 51406 7
43 3 1 . . 29.070 . . 1 . 1 1 42 GLN CB . . . . . . . . . . 227 . 51406 7
44 1 1 . . 7.864 . . 1 . 1 1 32 LYS H . . . . . . . . . . 72 . 51406 7
44 2 1 . . 128.816 . . 1 . 1 1 32 LYS N . . . . . . . . . . 73 . 51406 7
44 3 1 . . 61.408 . . 1 . 1 1 31 THR CA . . . . . . . . . . 174 . 51406 7
45 1 1 . . 7.864 . . 1 . 1 1 32 LYS H . . . . . . . . . . 72 . 51406 7
45 2 1 . . 128.812 . . 1 . 1 1 32 LYS N . . . . . . . . . . 73 . 51406 7
45 3 1 . . 69.737 . . 1 . 1 1 31 THR CB . . . . . . . . . . 176 . 51406 7
46 1 1 . . 7.546 . . 1 . 1 1 6 TYR H . . . . . . . . . . 64 . 51406 7
46 2 1 . . 126.873 . . 1 . 1 1 6 TYR N . . . . . . . . . . 65 . 51406 7
46 3 1 . . 61.358 . . 1 . 1 1 5 THR CA . . . . . . . . . . 196 . 51406 7
47 1 1 . . 7.547 . . 1 . 1 1 6 TYR H . . . . . . . . . . 64 . 51406 7
47 2 1 . . 126.794 . . 1 . 1 1 6 TYR N . . . . . . . . . . 65 . 51406 7
47 3 1 . . 69.690 . . 1 . 1 1 5 THR CB . . . . . . . . . . 197 . 51406 7
48 1 1 . . 7.582 . . 1 . 1 1 22 TYR H . . . . . . . . . . 62 . 51406 7
48 2 1 . . 126.363 . . 1 . 1 1 22 TYR N . . . . . . . . . . 63 . 51406 7
48 3 1 . . 29.244 . . 1 . 1 1 21 GLN CB . . . . . . . . . . 192 . 51406 7
49 1 1 . . 7.581 . . 1 . 1 1 22 TYR H . . . . . . . . . . 62 . 51406 7
49 2 1 . . 126.384 . . 1 . 1 1 22 TYR N . . . . . . . . . . 63 . 51406 7
49 3 1 . . 55.308 . . 1 . 1 1 21 GLN CA . . . . . . . . . . 190 . 51406 7
50 1 1 . . 8.272 . . 1 . 1 1 12 ASP H . . . . . . . . . . 41 . 51406 7
50 2 1 . . 126.948 . . 1 . 1 1 12 ASP N . . . . . . . . . . 42 . 51406 7
50 3 1 . . 54.725 . . 1 . . . . . . . . . . . . . . . . 235 . 51406 7
51 1 1 . . 8.273 . . 1 . 1 1 12 ASP H . . . . . . . . . . 41 . 51406 7
51 2 1 . . 127.102 . . 1 . 1 1 12 ASP N . . . . . . . . . . 42 . 51406 7
51 3 1 . . 40.098 . . 1 . . . . . . . . . . . . . . . . 236 . 51406 7
52 1 1 . . 7.814 . . 1 . . . . . . . . . . . . . . . . 247 . 51406 7
52 2 1 . . 119.723 . . 1 . . . . . . . . . . . . . . . . 248 . 51406 7
52 3 1 . . 55.243 . . 1 . . . . . . . . . . . . . . . . 252 . 51406 7
53 1 1 . . 7.819 . . 1 . . . . . . . . . . . . . . . . 247 . 51406 7
53 2 1 . . 119.631 . . 1 . . . . . . . . . . . . . . . . 248 . 51406 7
53 3 1 . . 41.639 . . 1 . . . . . . . . . . . . . . . . 251 . 51406 7
54 1 1 . . 7.950 . . 1 . . . . . . . . . . . . . . . . 17 . 51406 7
54 2 1 . . 122.892 . . 1 . . . . . . . . . . . . . . . . 18 . 51406 7
54 3 1 . . 47.221 . . 1 . . . . . . . . . . . . . . . . 253 . 51406 7
55 1 1 . . 7.553 . . 1 . 1 1 38 GLY H . . . . . . . . . . 3 . 51406 7
55 2 1 . . 115.324 . . 1 . 1 1 38 GLY N . . . . . . . . . . 4 . 51406 7
55 3 1 . . 54.790 . . 1 . 1 1 37 LEU CA . . . . . . . . . . 108 . 51406 7
56 1 1 . . 7.554 . . 1 . 1 1 38 GLY H . . . . . . . . . . 3 . 51406 7
56 2 1 . . 114.954 . . 1 . 1 1 38 GLY N . . . . . . . . . . 4 . 51406 7
56 3 1 . . 41.715 . . 1 . 1 1 37 LEU CB . . . . . . . . . . 240 . 51406 7
57 1 1 . . 7.615 . . 1 . 1 1 31 THR H . . . . . . . . . . 51 . 51406 7
57 2 1 . . 121.189 . . 1 . 1 1 31 THR N . . . . . . . . . . 52 . 51406 7
57 3 1 . . 63.183 . . 1 . 1 1 30 THR CA . . . . . . . . . . 205 . 51406 7
58 1 1 . . 7.592 . . 1 . 1 1 31 THR H . . . . . . . . . . 51 . 51406 7
58 2 1 . . 121.189 . . 1 . 1 1 31 THR N . . . . . . . . . . 52 . 51406 7
58 3 1 . . 70.707 . . 1 . . . . . . . . . . . . . . . . 175 . 51406 7
stop_
save_
#########################
# Spectral peak lists #
#########################
save_spectral_peak_list_8
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_8
_Spectral_peak_list.Entry_ID 51406
_Spectral_peak_list.ID 8
_Spectral_peak_list.Name 'peak list 1 2 3 4 5 6 7 8'
_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 8
_Spectral_peak_list.Experiment_name '3D 1H-15N TOCSY'
_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 '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 . aliased 4208.75420875 Hz . . . . . . 51406 8
2 . . N 15 15N . aliased 2411.96333816 Hz . . . . . . 51406 8
3 . . H 1 1H . aliased 8403.36134454 Hz . . . . . . 51406 8
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 . . 51406 8
stop_
loop_
_Peak.ID
_Peak.Figure_of_merit
_Peak.Type
_Peak.Restraint
_Peak.Details
_Peak.Entry_ID
_Peak.Spectral_peak_list_ID
1 1.0 . . . 51406 8
2 1.0 . . . 51406 8
3 1.0 . . . 51406 8
4 1.0 . . . 51406 8
5 1.0 . . . 51406 8
6 1.0 . . . 51406 8
7 1.0 . . . 51406 8
8 1.0 . . . 51406 8
9 1.0 . . . 51406 8
10 1.0 . . . 51406 8
11 1.0 . . . 51406 8
12 1.0 . . . 51406 8
13 1.0 . . . 51406 8
14 1.0 . . . 51406 8
15 1.0 . . . 51406 8
16 1.0 . . . 51406 8
17 1.0 . . . 51406 8
18 1.0 . . . 51406 8
19 1.0 . . . 51406 8
20 1.0 . . . 51406 8
21 1.0 . . . 51406 8
22 1.0 . . . 51406 8
23 1.0 . . . 51406 8
24 1.0 . . . 51406 8
25 1.0 . . . 51406 8
26 1.0 . . . 51406 8
27 1.0 . . . 51406 8
28 1.0 . . . 51406 8
29 1.0 . . . 51406 8
30 1.0 . . . 51406 8
31 1.0 . . . 51406 8
32 1.0 . . . 51406 8
33 1.0 . . . 51406 8
34 1.0 . . . 51406 8
35 1.0 . . . 51406 8
36 1.0 . . . 51406 8
37 1.0 . . . 51406 8
38 1.0 . . . 51406 8
39 1.0 . . . 51406 8
40 1.0 . . . 51406 8
41 1.0 . . . 51406 8
42 1.0 . . . 51406 8
43 1.0 . . . 51406 8
44 1.0 . . . 51406 8
45 1.0 . . . 51406 8
46 1.0 . . . 51406 8
47 1.0 . . . 51406 8
48 1.0 . . . 51406 8
49 1.0 . . . 51406 8
50 1.0 . . . 51406 8
51 1.0 . . . 51406 8
52 1.0 . . . 51406 8
53 1.0 . . . 51406 8
54 1.0 . . . 51406 8
55 1.0 . . . 51406 8
56 1.0 . . . 51406 8
57 1.0 . . . 51406 8
58 1.0 . . . 51406 8
59 1.0 . . . 51406 8
60 1.0 . . . 51406 8
61 1.0 . . . 51406 8
62 1.0 . . . 51406 8
63 1.0 . . . 51406 8
64 1.0 . . . 51406 8
65 1.0 . . . 51406 8
66 1.0 . . . 51406 8
67 1.0 . . . 51406 8
68 1.0 . . . 51406 8
69 1.0 . . . 51406 8
70 1.0 . . . 51406 8
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 46458.5 . height 51406 8
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2 19417.0 . height 51406 8
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70 -1930.0 . height 51406 8
70 31701.5 . volume 51406 8
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 7.770 . 32.46634395840 . . . . . . . . . . . 51406 8
1 2 123.021 . 64.90537525660 . . . . . . . . . . . 51406 8
1 3 3.693 . 253.09935337400 . . . . . . . . . . . 51406 8
2 1 7.771 . 22.52935159090 . . . . . . . . . . . 51406 8
2 2 123.021 . 90.53012511610 . . . . . . . . . . . 51406 8
2 3 1.659 . 222.79665249700 . . . . . . . . . . . 51406 8
3 1 7.773 . 26.91917347190 . . . . . . . . . . . 51406 8
3 2 122.947 . 57.05628024740 . . . . . . . . . . . 51406 8
3 3 0.659 . 94.37619137160 . . . . . . . . . . . 51406 8
4 1 7.773 . 27.78865873610 . . . . . . . . . . . 51406 8
4 2 122.946 . 57.02573035110 . . . . . . . . . . . 51406 8
4 3 0.502 . 193.08849543100 . . . . . . . . . . . 51406 8
5 1 8.379 . 7.66770105169 . . . . . . . . . . . 51406 8
5 2 124.478 . 50.51773984940 . . . . . . . . . . . 51406 8
5 3 4.253 . 279.43909669100 . . . . . . . . . . . 51406 8
6 1 8.383 . 22.05133538450 . . . . . . . . . . . 51406 8
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6 3 2.561 . 204.93078632500 . . . . . . . . . . . 51406 8
7 1 8.384 . 44.93941863380 . . . . . . . . . . . 51406 8
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8 1 7.655 . 55.52237884770 . . . . . . . . . . . 51406 8
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9 1 7.656 . 24.17324568690 . . . . . . . . . . . 51406 8
9 2 120.897 . 63.54227482380 . . . . . . . . . . . 51406 8
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12 1 7.613 . 23.88726380540 . . . . . . . . . . . 51406 8
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14 1 7.877 . 22.95004599020 . . . . . . . . . . . 51406 8
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14 3 3.852 . 1.40045871254 . . . . . . . . . . . 51406 8
15 1 7.878 . 19.93130654200 . . . . . . . . . . . 51406 8
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15 3 1.471 . 318.13403137600 . . . . . . . . . . . 51406 8
16 1 7.880 . 18.63761482010 . . . . . . . . . . . 51406 8
16 2 128.839 . 63.27893471750 . . . . . . . . . . . 51406 8
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17 1 7.877 . 17.35621530200 . . . . . . . . . . . 51406 8
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17 3 1.013 . 78.50783211840 . . . . . . . . . . . 51406 8
18 1 7.654 . 21.54722960310 . . . . . . . . . . . 51406 8
18 2 128.709 . 59.75987418980 . . . . . . . . . . . 51406 8
18 3 3.898 . 240.75568223200 . . . . . . . . . . . 51406 8
19 1 7.654 . 19.84538654690 . . . . . . . . . . . 51406 8
19 2 128.701 . 65.47676614100 . . . . . . . . . . . 51406 8
19 3 1.362 . 196.84008189600 . . . . . . . . . . . 51406 8
20 1 7.653 . 19.71995589710 . . . . . . . . . . . 51406 8
20 2 128.682 . 65.34705487530 . . . . . . . . . . . 51406 8
20 3 1.214 . 199.76571828400 . . . . . . . . . . . 51406 8
21 1 7.653 . 23.69711094030 . . . . . . . . . . . 51406 8
21 2 128.753 . 60.70041564480 . . . . . . . . . . . 51406 8
21 3 0.636 . 186.84653674900 . . . . . . . . . . . 51406 8
22 1 7.654 . 19.46884373620 . . . . . . . . . . . 51406 8
22 2 128.625 . 71.94612000910 . . . . . . . . . . . 51406 8
22 3 0.515 . 207.09508607400 . . . . . . . . . . . 51406 8
24 1 7.579 . 21.96140160870 . . . . . . . . . . . 51406 8
24 2 115.268 . 95.94047581350 . . . . . . . . . . . 51406 8
24 3 3.349 . 76.51232871690 . . . . . . . . . . . 51406 8
25 1 7.576 . 18.76743554270 . . . . . . . . . . . 51406 8
25 2 115.016 . 80.45275661030 . . . . . . . . . . . 51406 8
25 3 3.524 . 97.32186293400 . . . . . . . . . . . 51406 8
26 1 7.737 . 8.44311332863 . . . . . . . . . . . 51406 8
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26 3 3.842 . 272.54098603700 . . . . . . . . . . . 51406 8
27 1 7.737 . 19.39195474790 . . . . . . . . . . . 51406 8
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28 1 7.737 . 21.70313990080 . . . . . . . . . . . 51406 8
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28 3 1.479 . 273.78066247300 . . . . . . . . . . . 51406 8
29 1 7.740 . 19.67179052760 . . . . . . . . . . . 51406 8
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31 1 7.842 . 19.41114563730 . . . . . . . . . . . 51406 8
31 2 127.498 . 55.50844279450 . . . . . . . . . . . 51406 8
31 3 1.518 . 199.83283611900 . . . . . . . . . . . 51406 8
32 1 7.843 . 19.62625920170 . . . . . . . . . . . 51406 8
32 2 127.473 . 58.17667073920 . . . . . . . . . . . 51406 8
32 3 1.381 . 182.40073147900 . . . . . . . . . . . 51406 8
33 1 7.843 . 24.37581618630 . . . . . . . . . . . 51406 8
33 2 127.427 . 62.28063598790 . . . . . . . . . . . 51406 8
33 3 1.194 . 90.14225807510 . . . . . . . . . . . 51406 8
34 1 7.846 . 19.82945685430 . . . . . . . . . . . 51406 8
34 2 127.509 . 55.38203810590 . . . . . . . . . . . 51406 8
34 3 2.779 . 75.32574549440 . . . . . . . . . . . 51406 8
35 1 7.844 . 30.53032187900 . . . . . . . . . . . 51406 8
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35 3 3.840 . 8.56854334599 . . . . . . . . . . . 51406 8
36 1 7.443 . 16.14593496230 . . . . . . . . . . . 51406 8
36 2 129.106 . 43.78504587500 . . . . . . . . . . . 51406 8
36 3 3.772 . 279.38600347800 . . . . . . . . . . . 51406 8
37 1 7.442 . 20.11054694050 . . . . . . . . . . . 51406 8
37 2 129.106 . 69.21934408670 . . . . . . . . . . . 51406 8
37 3 1.042 . 247.58166625700 . . . . . . . . . . . 51406 8
38 1 7.950 . 22.57939842010 . . . . . . . . . . . 51406 8
38 2 123.644 . 36.00740168210 . . . . . . . . . . . 51406 8
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39 1 7.951 . 16.60400769530 . . . . . . . . . . . 51406 8
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40 1 7.814 . 22.82047612900 . . . . . . . . . . . 51406 8
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42 1 7.594 . 23.01853112500 . . . . . . . . . . . 51406 8
42 2 126.290 . 83.83373160670 . . . . . . . . . . . 51406 8
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43 1 7.595 . 20.55406971810 . . . . . . . . . . . 51406 8
43 2 126.290 . 122.48546043200 . . . . . . . . . . . 51406 8
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44 1 7.592 . 23.51950114020 . . . . . . . . . . . 51406 8
44 2 126.290 . 123.51179318400 . . . . . . . . . . . 51406 8
44 3 2.790 . 416.24227491700 . . . . . . . . . . . 51406 8
46 1 7.883 . 21.64368577280 . . . . . . . . . . . 51406 8
46 2 123.315 . 67.40543500730 . . . . . . . . . . . 51406 8
46 3 3.457 . 71.50052976210 . . . . . . . . . . . 51406 8
47 1 7.886 . 22.87666906010 . . . . . . . . . . . 51406 8
47 2 123.229 . 75.26725314980 . . . . . . . . . . . 51406 8
47 3 3.648 . 79.55116384170 . . . . . . . . . . . 51406 8
48 1 7.644 . 19.98938093280 . . . . . . . . . . . 51406 8
48 2 126.533 . 72.01480336430 . . . . . . . . . . . 51406 8
48 3 4.100 . 257.44949068300 . . . . . . . . . . . 51406 8
49 1 7.645 . 80.93839141250 . . . . . . . . . . . 51406 8
49 2 126.533 . 111.12751215500 . . . . . . . . . . . 51406 8
49 3 2.552 . 426.43717357100 . . . . . . . . . . . 51406 8
50 1 7.643 . 20.25679907810 . . . . . . . . . . . 51406 8
50 2 126.533 . 95.50364823720 . . . . . . . . . . . 51406 8
50 3 2.818 . 415.36874130000 . . . . . . . . . . . 51406 8
51 1 7.885 . 41.54325836030 . . . . . . . . . . . 51406 8
51 2 126.808 . 48.10142275570 . . . . . . . . . . . 51406 8
51 3 3.864 . 526.00297607300 . . . . . . . . . . . 51406 8
52 1 7.882 . 26.50036053220 . . . . . . . . . . . 51406 8
52 2 126.799 . 67.01511515550 . . . . . . . . . . . 51406 8
52 3 2.106 . 77.23259324790 . . . . . . . . . . . 51406 8
53 1 7.881 . 26.86925207320 . . . . . . . . . . . 51406 8
53 2 126.744 . 64.99141814110 . . . . . . . . . . . 51406 8
53 3 1.933 . 84.50686430730 . . . . . . . . . . . 51406 8
54 1 7.879 . 26.76740238560 . . . . . . . . . . . 51406 8
54 2 126.753 . 60.02184853600 . . . . . . . . . . . 51406 8
54 3 1.730 . 88.95767837010 . . . . . . . . . . . 51406 8
55 1 7.880 . 35.98994177200 . . . . . . . . . . . 51406 8
55 2 126.942 . 54.89392264480 . . . . . . . . . . . 51406 8
55 3 1.548 . 84.47981682140 . . . . . . . . . . . 51406 8
56 1 7.490 . 15.46911117600 . . . . . . . . . . . 51406 8
56 2 125.019 . 91.69986267570 . . . . . . . . . . . 51406 8
56 3 4.096 . 264.52891966900 . . . . . . . . . . . 51406 8
57 1 7.493 . 22.51630680330 . . . . . . . . . . . 51406 8
57 2 124.879 . 70.65774102860 . . . . . . . . . . . 51406 8
57 3 2.743 . 90.72027286560 . . . . . . . . . . . 51406 8
58 1 7.954 . 29.19724493320 . . . . . . . . . . . 51406 8
58 2 122.494 . 40.18353656820 . . . . . . . . . . . 51406 8
58 3 4.086 . 254.80785289700 . . . . . . . . . . . 51406 8
60 1 7.946 . 15.12831610060 . . . . . . . . . . . 51406 8
60 2 122.642 . 32.49610442210 . . . . . . . . . . . 51406 8
60 3 1.156 . 97.01782915770 . . . . . . . . . . . 51406 8
61 1 7.953 . 11.78257894840 . . . . . . . . . . . 51406 8
61 2 122.284 . 40.04545103680 . . . . . . . . . . . 51406 8
61 3 0.609 . 68.53031511070 . . . . . . . . . . . 51406 8
63 1 7.947 . 13.73653761060 . . . . . . . . . . . 51406 8
63 2 122.172 . 33.98370466770 . . . . . . . . . . . 51406 8
63 3 0.380 . 98.53549364230 . . . . . . . . . . . 51406 8
65 1 7.536 . 22.52308005840 . . . . . . . . . . . 51406 8
65 2 127.510 . 60.31351019320 . . . . . . . . . . . 51406 8
65 3 1.363 . 88.74630727690 . . . . . . . . . . . 51406 8
66 1 7.535 . 23.51373133030 . . . . . . . . . . . 51406 8
66 2 127.467 . 60.32551450540 . . . . . . . . . . . 51406 8
66 3 1.202 . 85.94739336930 . . . . . . . . . . . 51406 8
67 1 7.575 . 49.90910640870 . . . . . . . . . . . 51406 8
67 2 126.830 . 91.65234860160 . . . . . . . . . . . 51406 8
67 3 4.113 . 276.89412862300 . . . . . . . . . . . 51406 8
68 1 7.567 . 55.01915108070 . . . . . . . . . . . 51406 8
68 2 126.830 . 65.58228907700 . . . . . . . . . . . 51406 8
68 3 2.552 . 335.42138187800 . . . . . . . . . . . 51406 8
69 1 7.572 . 38.28870929050 . . . . . . . . . . . 51406 8
69 2 126.830 . 77.46087946990 . . . . . . . . . . . 51406 8
69 3 2.791 . 349.33180368200 . . . . . . . . . . . 51406 8
70 1 7.810 . 16.66785189600 . . . . . . . . . . . 51406 8
70 2 119.871 . 7.66536433859 . . . . . . . . . . . 51406 8
70 3 3.940 . 28.57116090150 . . . . . . . . . . . 51406 8
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 . . 7.770 . . 1 . 1 1 8 VAL H . . . . . . . . . . 43 . 51406 8
1 2 1 . . 123.021 . . 1 . 1 1 8 VAL N . . . . . . . . . . 44 . 51406 8
1 3 1 . . 3.693 . . 1 . 1 1 8 VAL HA . . . . . . . . . . 254 . 51406 8
2 1 1 . . 7.771 . . 1 . 1 1 8 VAL H . . . . . . . . . . 43 . 51406 8
2 2 1 . . 123.021 . . 1 . 1 1 8 VAL N . . . . . . . . . . 44 . 51406 8
2 3 1 . . 1.659 . . 1 . 1 1 8 VAL HB . . . . . . . . . . 255 . 51406 8
3 1 1 . . 7.773 . . 1 . 1 1 8 VAL H . . . . . . . . . . 43 . 51406 8
3 2 1 . . 122.947 . . 1 . 1 1 8 VAL N . . . . . . . . . . 44 . 51406 8
3 3 1 . . 0.659 . . 1 . 1 1 8 VAL MG1 . . . . . . . . . . 256 . 51406 8
4 1 1 . . 7.773 . . 1 . 1 1 8 VAL H . . . . . . . . . . 43 . 51406 8
4 2 1 . . 122.946 . . 1 . 1 1 8 VAL N . . . . . . . . . . 44 . 51406 8
4 3 1 . . 0.502 . . 1 . 1 1 8 VAL MG2 . . . . . . . . . . 257 . 51406 8
5 1 1 . . 8.379 . . 1 . 1 1 9 ASP H . . . . . . . . . . 31 . 51406 8
5 2 1 . . 124.478 . . 1 . 1 1 9 ASP N . . . . . . . . . . 32 . 51406 8
5 3 1 . . 4.253 . . 1 . 1 1 9 ASP HA . . . . . . . . . . 258 . 51406 8
6 1 1 . . 8.383 . . 1 . 1 1 9 ASP H . . . . . . . . . . 31 . 51406 8
6 2 1 . . 124.555 . . 1 . 1 1 9 ASP N . . . . . . . . . . 32 . 51406 8
6 3 1 . . 2.561 . . 1 . 1 1 9 ASP HB3 . . . . . . . . . . 260 . 51406 8
7 1 1 . . 8.384 . . 1 . 1 1 9 ASP H . . . . . . . . . . 31 . 51406 8
7 2 1 . . 124.600 . . 1 . 1 1 9 ASP N . . . . . . . . . . 32 . 51406 8
7 3 1 . . 2.406 . . 1 . 1 1 9 ASP HB2 . . . . . . . . . . 259 . 51406 8
8 1 1 . . 7.655 . . 1 . 1 1 30 THR H . . . . . . . . . . 86 . 51406 8
8 2 1 . . 120.886 . . 1 . 1 1 30 THR N . . . . . . . . . . 87 . 51406 8
8 3 1 . . 3.825 . . 1 . 1 1 30 THR HA . . . . . . . . . . 262 . 51406 8
9 1 1 . . 7.656 . . 1 . 1 1 30 THR H . . . . . . . . . . 86 . 51406 8
9 2 1 . . 120.897 . . 1 . 1 1 30 THR N . . . . . . . . . . 87 . 51406 8
9 3 1 . . 3.920 . . 1 . 1 1 30 THR HB . . . . . . . . . . 261 . 51406 8
10 1 1 . . 7.655 . . 1 . 1 1 30 THR H . . . . . . . . . . 86 . 51406 8
10 2 1 . . 120.886 . . 1 . 1 1 30 THR N . . . . . . . . . . 87 . 51406 8
10 3 1 . . 0.875 . . 1 . 1 1 30 THR MG . . . . . . . . . . 263 . 51406 8
11 1 1 . . 7.613 . . 1 . 1 1 31 THR H . . . . . . . . . . 51 . 51406 8
11 2 1 . . 121.189 . . 1 . 1 1 31 THR N . . . . . . . . . . 52 . 51406 8
11 3 1 . . 0.893 . . 1 . 1 1 31 THR MG . . . . . . . . . . 264 . 51406 8
12 1 1 . . 7.613 . . 1 . 1 1 31 THR H . . . . . . . . . . 51 . 51406 8
12 2 1 . . 121.189 . . 1 . 1 1 31 THR N . . . . . . . . . . 52 . 51406 8
12 3 1 . . 3.862 . . 1 . 1 1 31 THR HA . . . . . . . . . . 265 . 51406 8
13 1 1 . . 7.614 . . 1 . 1 1 31 THR H . . . . . . . . . . 51 . 51406 8
13 2 1 . . 121.197 . . 1 . 1 1 31 THR N . . . . . . . . . . 52 . 51406 8
13 3 1 . . 3.963 . . 1 . 1 1 31 THR HB . . . . . . . . . . 266 . 51406 8
14 1 1 . . 7.877 . . 1 . 1 1 32 LYS H . . . . . . . . . . 72 . 51406 8
14 2 1 . . 128.805 . . 1 . 1 1 32 LYS N . . . . . . . . . . 73 . 51406 8
14 3 3 . . 3.852 . . 1 . 1 1 32 LYS HA . . . . . . . . . . 267 . 51406 8
15 1 1 . . 7.878 . . 1 . 1 1 32 LYS H . . . . . . . . . . 72 . 51406 8
15 2 1 . . 128.764 . . 1 . 1 1 32 LYS N . . . . . . . . . . 73 . 51406 8
15 3 1 . . 1.471 . . 1 . 1 1 32 LYS HB2 . . . . . . . . . . 268 . 51406 8
16 1 1 . . 7.880 . . 1 . 1 1 32 LYS H . . . . . . . . . . 72 . 51406 8
16 2 1 . . 128.839 . . 1 . 1 1 32 LYS N . . . . . . . . . . 73 . 51406 8
16 3 1 . . 1.230 . . 1 . 1 1 32 LYS HD2 . . . . . . . . . . 269 . 51406 8
17 1 1 . . 7.877 . . 1 . 1 1 32 LYS H . . . . . . . . . . 72 . 51406 8
17 2 1 . . 128.814 . . 1 . 1 1 32 LYS N . . . . . . . . . . 73 . 51406 8
17 3 1 . . 1.013 . . 1 . 1 1 32 LYS HG2 . . . . . . . . . . 270 . 51406 8
18 1 1 . . 7.654 . . 1 . 1 1 44 LEU H . . . . . . . . . . 19 . 51406 8
18 2 1 . . 128.709 . . 1 . 1 1 44 LEU N . . . . . . . . . . 20 . 51406 8
18 3 1 . . 3.898 . . 1 . 1 1 44 LEU HA . . . . . . . . . . 271 . 51406 8
19 1 1 . . 7.654 . . 1 . 1 1 44 LEU H . . . . . . . . . . 19 . 51406 8
19 2 1 . . 128.701 . . 1 . 1 1 44 LEU N . . . . . . . . . . 20 . 51406 8
19 3 1 . . 1.362 . . 1 . 1 1 44 LEU HB3 . . . . . . . . . . 273 . 51406 8
20 1 1 . . 7.653 . . 1 . 1 1 44 LEU H . . . . . . . . . . 19 . 51406 8
20 2 1 . . 128.682 . . 1 . 1 1 44 LEU N . . . . . . . . . . 20 . 51406 8
20 3 1 . . 1.214 . . 1 . 1 1 44 LEU HB2 . . . . . . . . . . 272 . 51406 8
21 1 1 . . 7.653 . . 1 . 1 1 44 LEU H . . . . . . . . . . 19 . 51406 8
21 2 1 . . 128.753 . . 1 . 1 1 44 LEU N . . . . . . . . . . 20 . 51406 8
21 3 1 . . 0.636 . . 1 . 1 1 44 LEU MD1 . . . . . . . . . . 274 . 51406 8
22 1 1 . . 7.654 . . 1 . 1 1 44 LEU H . . . . . . . . . . 19 . 51406 8
22 2 1 . . 128.625 . . 1 . 1 1 44 LEU N . . . . . . . . . . 20 . 51406 8
22 3 1 . . 0.515 . . 1 . 1 1 44 LEU MD2 . . . . . . . . . . 275 . 51406 8
24 1 1 . . 7.579 . . 1 . 1 1 38 GLY H . . . . . . . . . . 3 . 51406 8
24 2 1 . . 115.268 . . 1 . 1 1 38 GLY N . . . . . . . . . . 4 . 51406 8
24 3 1 . . 3.349 . . 1 . 1 1 38 GLY HA3 . . . . . . . . . . 277 . 51406 8
25 1 1 . . 7.576 . . 1 . 1 1 38 GLY H . . . . . . . . . . 3 . 51406 8
25 2 1 . . 115.016 . . 1 . 1 1 38 GLY N . . . . . . . . . . 4 . 51406 8
25 3 1 . . 3.524 . . 1 . 1 1 38 GLY HA2 . . . . . . . . . . 276 . 51406 8
26 1 1 . . 7.737 . . 1 . 1 1 18 LYS H . . . . . . . . . . 9 . 51406 8
26 2 1 . . 127.920 . . 1 . 1 1 18 LYS N . . . . . . . . . . 10 . 51406 8
26 3 1 . . 3.842 . . 1 . 1 1 18 LYS HA . . . . . . . . . . 278 . 51406 8
27 1 1 . . 7.737 . . 1 . 1 1 18 LYS H . . . . . . . . . . 9 . 51406 8
27 2 1 . . 127.748 . . 1 . 1 1 18 LYS N . . . . . . . . . . 10 . 51406 8
27 3 1 . . 2.787 . . 1 . 1 1 18 LYS HE2 . . . . . . . . . . 279 . 51406 8
28 1 1 . . 7.737 . . 1 . 1 1 18 LYS H . . . . . . . . . . 9 . 51406 8
28 2 1 . . 127.890 . . 1 . 1 1 18 LYS N . . . . . . . . . . 10 . 51406 8
28 3 1 . . 1.479 . . 1 . 1 1 18 LYS HB2 . . . . . . . . . . 280 . 51406 8
29 1 1 . . 7.740 . . 1 . 1 1 18 LYS H . . . . . . . . . . 9 . 51406 8
29 2 1 . . 127.938 . . 1 . 1 1 18 LYS N . . . . . . . . . . 10 . 51406 8
29 3 1 . . 1.252 . . 1 . 1 1 18 LYS HD2 . . . . . . . . . . 281 . 51406 8
30 1 1 . . 7.739 . . 1 . 1 1 18 LYS H . . . . . . . . . . 9 . 51406 8
30 2 1 . . 127.811 . . 1 . 1 1 18 LYS N . . . . . . . . . . 10 . 51406 8
30 3 1 . . 1.039 . . 1 . 1 1 18 LYS HG2 . . . . . . . . . . 282 . 51406 8
31 1 1 . . 7.842 . . 1 . 1 1 35 ARG H . . . . . . . . . . 27 . 51406 8
31 2 1 . . 127.498 . . 1 . 1 1 35 ARG N . . . . . . . . . . 28 . 51406 8
31 3 1 . . 1.518 . . 1 . 1 1 35 ARG HB2 . . . . . . . . . . 285 . 51406 8
32 1 1 . . 7.843 . . 1 . 1 1 35 ARG H . . . . . . . . . . 27 . 51406 8
32 2 1 . . 127.473 . . 1 . 1 1 35 ARG N . . . . . . . . . . 28 . 51406 8
32 3 1 . . 1.381 . . 1 . 1 1 35 ARG HB3 . . . . . . . . . . 286 . 51406 8
33 1 1 . . 7.843 . . 1 . 1 1 35 ARG H . . . . . . . . . . 27 . 51406 8
33 2 1 . . 127.427 . . 1 . 1 1 35 ARG N . . . . . . . . . . 28 . 51406 8
33 3 1 . . 1.194 . . 1 . 1 1 35 ARG HG2 . . . . . . . . . . 287 . 51406 8
34 1 1 . . 7.846 . . 1 . 1 1 35 ARG H . . . . . . . . . . 27 . 51406 8
34 2 1 . . 127.509 . . 1 . 1 1 35 ARG N . . . . . . . . . . 28 . 51406 8
34 3 1 . . 2.779 . . 1 . 1 1 35 ARG HD2 . . . . . . . . . . 284 . 51406 8
35 1 1 . . 7.844 . . 1 . 1 1 35 ARG H . . . . . . . . . . 27 . 51406 8
35 2 1 . . 127.483 . . 1 . 1 1 35 ARG N . . . . . . . . . . 28 . 51406 8
35 3 1 . . 3.840 . . 1 . 1 1 35 ARG HA . . . . . . . . . . 283 . 51406 8
36 1 1 . . 7.443 . . 1 . 1 1 26 ALA H . . . . . . . . . . 39 . 51406 8
36 2 1 . . 129.106 . . 1 . 1 1 26 ALA N . . . . . . . . . . 40 . 51406 8
36 3 1 . . 3.772 . . 1 . 1 1 26 ALA HA . . . . . . . . . . 288 . 51406 8
37 1 1 . . 7.442 . . 1 . 1 1 26 ALA H . . . . . . . . . . 39 . 51406 8
37 2 1 . . 129.106 . . 1 . 1 1 26 ALA N . . . . . . . . . . 40 . 51406 8
37 3 1 . . 1.042 . . 1 . 1 1 26 ALA MB . . . . . . . . . . 289 . 51406 8
38 1 1 . . 7.950 . . 1 . . . . . . . . . . . . . . . . 90 . 51406 8
38 2 1 . . 123.644 . . 1 . . . . . . . . . . . . . . . . 91 . 51406 8
38 3 1 . . 4.111 . . 1 . . . . . . . . . . . . . . . . 290 . 51406 8
39 1 1 . . 7.951 . . 1 . . . . . . . . . . . . . . . . 90 . 51406 8
39 2 1 . . 123.644 . . 1 . . . . . . . . . . . . . . . . 91 . 51406 8
39 3 1 . . 2.403 . . 1 . . . . . . . . . . . . . . . . 291 . 51406 8
40 1 1 . . 7.814 . . 1 . 1 1 25 ASN H . . . . . . . . . . 7 . 51406 8
40 2 1 . . 124.291 . . 1 . 1 1 25 ASN N . . . . . . . . . . 8 . 51406 8
40 3 1 . . 4.152 . . 1 . 1 1 25 ASN HA . . . . . . . . . . 292 . 51406 8
41 1 1 . . 7.813 . . 1 . 1 1 25 ASN H . . . . . . . . . . 7 . 51406 8
41 2 1 . . 124.291 . . 1 . 1 1 25 ASN N . . . . . . . . . . 8 . 51406 8
41 3 1 . . 2.409 . . 1 . 1 1 25 ASN HB2 . . . . . . . . . . 293 . 51406 8
42 1 1 . . 7.594 . . 1 . 1 1 22 TYR H . . . . . . . . . . 62 . 51406 8
42 2 1 . . 126.290 . . 1 . 1 1 22 TYR N . . . . . . . . . . 63 . 51406 8
42 3 1 . . 4.098 . . 1 . 1 1 22 TYR HA . . . . . . . . . . 302 . 51406 8
43 1 1 . . 7.595 . . 1 . 1 1 22 TYR H . . . . . . . . . . 62 . 51406 8
43 2 1 . . 126.290 . . 1 . 1 1 22 TYR N . . . . . . . . . . 63 . 51406 8
43 3 1 . . 2.562 . . 1 . 1 1 22 TYR HB2 . . . . . . . . . . 303 . 51406 8
44 1 1 . . 7.592 . . 1 . 1 1 22 TYR H . . . . . . . . . . 62 . 51406 8
44 2 1 . . 126.290 . . 1 . 1 1 22 TYR N . . . . . . . . . . 63 . 51406 8
44 3 1 . . 2.790 . . 1 . 1 1 22 TYR HB3 . . . . . . . . . . 304 . 51406 8
46 1 1 . . 7.883 . . 1 . . . . . . . . . . . . . . . . 5 . 51406 8
46 2 1 . . 123.315 . . 1 . . . . . . . . . . . . . . . . 6 . 51406 8
46 3 1 . . 3.457 . . 1 . . . . . . . . . . . . . . . . 306 . 51406 8
47 1 1 . . 7.886 . . 1 . . . . . . . . . . . . . . . . 5 . 51406 8
47 2 1 . . 123.229 . . 1 . . . . . . . . . . . . . . . . 6 . 51406 8
47 3 1 . . 3.648 . . 1 . . . . . . . . . . . . . . . . 307 . 51406 8
48 1 1 . . 7.644 . . 1 . . . . . . . . . . . . . . . . 11 . 51406 8
48 2 1 . . 126.533 . . 1 . . . . . . . . . . . . . . . . 12 . 51406 8
48 3 1 . . 4.100 . . 1 . . . . . . . . . . . . . . . . 311 . 51406 8
49 1 1 . . 7.645 . . 1 . . . . . . . . . . . . . . . . 11 . 51406 8
49 2 1 . . 126.533 . . 1 . . . . . . . . . . . . . . . . 12 . 51406 8
49 3 1 . . 2.552 . . 1 . . . . . . . . . . . . . . . . 312 . 51406 8
50 1 1 . . 7.643 . . 1 . . . . . . . . . . . . . . . . 11 . 51406 8
50 2 1 . . 126.533 . . 1 . . . . . . . . . . . . . . . . 12 . 51406 8
50 3 2 . . 2.818 . . 1 . . . . . . . . . . . . . . . . 313 . 51406 8
51 1 1 . . 7.885 . . 1 . 1 1 20 GLN H . . . . . . . . . . 55 . 51406 8
51 2 1 . . 126.808 . . 1 . 1 1 20 GLN N . . . . . . . . . . 56 . 51406 8
51 3 1 . . 3.864 . . 1 . 1 1 20 GLN HA . . . . . . . . . . 316 . 51406 8
52 1 1 . . 7.882 . . 1 . 1 1 20 GLN H . . . . . . . . . . 55 . 51406 8
52 2 1 . . 126.799 . . 1 . 1 1 20 GLN N . . . . . . . . . . 56 . 51406 8
52 3 1 . . 2.106 . . 1 . 1 1 20 GLN HG3 . . . . . . . . . . 320 . 51406 8
53 1 1 . . 7.881 . . 1 . 1 1 20 GLN H . . . . . . . . . . 55 . 51406 8
53 2 1 . . 126.744 . . 1 . 1 1 20 GLN N . . . . . . . . . . 56 . 51406 8
53 3 1 . . 1.933 . . 1 . 1 1 20 GLN HG2 . . . . . . . . . . 319 . 51406 8
54 1 1 . . 7.879 . . 1 . 1 1 20 GLN H . . . . . . . . . . 55 . 51406 8
54 2 1 . . 126.753 . . 1 . 1 1 20 GLN N . . . . . . . . . . 56 . 51406 8
54 3 1 . . 1.730 . . 1 . 1 1 20 GLN HB3 . . . . . . . . . . 318 . 51406 8
55 1 1 . . 7.880 . . 1 . 1 1 20 GLN H . . . . . . . . . . 55 . 51406 8
55 2 1 . . 126.942 . . 1 . 1 1 20 GLN N . . . . . . . . . . 56 . 51406 8
55 3 1 . . 1.548 . . 1 . 1 1 20 GLN HB2 . . . . . . . . . . 317 . 51406 8
56 1 1 . . 7.490 . . 1 . 1 1 28 HIS H . . . . . . . . . . 60 . 51406 8
56 2 1 . . 125.019 . . 1 . 1 1 28 HIS N . . . . . . . . . . 61 . 51406 8
56 3 1 . . 4.096 . . 1 . 1 1 28 HIS HA . . . . . . . . . . 337 . 51406 8
57 1 1 . . 7.493 . . 1 . 1 1 28 HIS H . . . . . . . . . . 60 . 51406 8
57 2 1 . . 124.879 . . 1 . 1 1 28 HIS N . . . . . . . . . . 61 . 51406 8
57 3 1 . . 2.743 . . 1 . 1 1 28 HIS HB2 . . . . . . . . . . 338 . 51406 8
58 1 1 . . 7.954 . . 1 . 1 1 24 LEU H . . . . . . . . . . 59 . 51406 8
58 2 1 . . 122.494 . . 1 . 1 1 24 LEU N . . . . . . . . . . 328 . 51406 8
58 3 1 . . 4.086 . . 1 . 1 1 24 LEU HA . . . . . . . . . . 344 . 51406 8
60 1 1 . . 7.946 . . 1 . 1 1 24 LEU H . . . . . . . . . . 59 . 51406 8
60 2 1 . . 122.642 . . 1 . 1 1 24 LEU N . . . . . . . . . . 328 . 51406 8
60 3 1 . . 1.156 . . 1 . 1 1 24 LEU HG . . . . . . . . . . 343 . 51406 8
61 1 1 . . 7.953 . . 1 . 1 1 24 LEU H . . . . . . . . . . 59 . 51406 8
61 2 1 . . 122.284 . . 1 . 1 1 24 LEU N . . . . . . . . . . 328 . 51406 8
61 3 1 . . 0.609 . . 1 . 1 1 24 LEU MD1 . . . . . . . . . . 341 . 51406 8
63 1 1 . . 7.947 . . 1 . 1 1 24 LEU H . . . . . . . . . . 59 . 51406 8
63 2 1 . . 122.172 . . 1 . 1 1 24 LEU N . . . . . . . . . . 328 . 51406 8
63 3 1 . . 0.380 . . 1 . 1 1 24 LEU MD2 . . . . . . . . . . 342 . 51406 8
65 1 1 . . 7.536 . . 1 . . . . . . . . . . . . . . . . 45 . 51406 8
65 2 1 . . 127.510 . . 1 . . . . . . . . . . . . . . . . 46 . 51406 8
65 3 1 . . 1.363 . . 1 . . . . . . . . . . . . . . . . 348 . 51406 8
66 1 1 . . 7.535 . . 1 . . . . . . . . . . . . . . . . 45 . 51406 8
66 2 1 . . 127.467 . . 1 . . . . . . . . . . . . . . . . 46 . 51406 8
66 3 1 . . 1.202 . . 1 . . . . . . . . . . . . . . . . 347 . 51406 8
67 1 1 . . 7.575 . . 1 . 1 1 6 TYR H . . . . . . . . . . 64 . 51406 8
67 2 1 . . 126.830 . . 1 . 1 1 6 TYR N . . . . . . . . . . 65 . 51406 8
67 3 1 . . 4.113 . . 1 . 1 1 6 TYR HA . . . . . . . . . . 349 . 51406 8
68 1 1 . . 7.567 . . 1 . 1 1 6 TYR H . . . . . . . . . . 64 . 51406 8
68 2 1 . . 126.830 . . 1 . 1 1 6 TYR N . . . . . . . . . . 65 . 51406 8
68 3 1 . . 2.552 . . 1 . 1 1 6 TYR HB2 . . . . . . . . . . 350 . 51406 8
69 1 1 . . 7.572 . . 1 . 1 1 6 TYR H . . . . . . . . . . 64 . 51406 8
69 2 1 . . 126.830 . . 1 . 1 1 6 TYR N . . . . . . . . . . 65 . 51406 8
69 3 1 . . 2.791 . . 1 . 1 1 6 TYR HB3 . . . . . . . . . . 351 . 51406 8
70 1 1 . . 7.810 . . 1 . 1 1 11 ASN H . . . . . . . . . . 21 . 51406 8
70 2 1 . . 119.871 . . 1 . 1 1 11 ASN N . . . . . . . . . . 22 . 51406 8
70 3 1 . . 3.940 . . 1 . 1 1 11 ASN HA . . . . . . . . . . 352 . 51406 8
stop_
save_
#########################
# Spectral peak lists #
#########################
save_spectral_peak_list_9
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_9
_Spectral_peak_list.Entry_ID 51406
_Spectral_peak_list.ID 9
_Spectral_peak_list.Name 'peak list 1 2 3 4 5 6 7 8 9'
_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 9
_Spectral_peak_list.Experiment_name 'HNHA (H{[N]+[HA]})'
_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 '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 . aliased 4208.75420875 Hz . . . . . . 51406 9
2 . . H 1 1H . aliased 8403.36134454 Hz . . . . . . 51406 9
3 . . N 15 15N . aliased 2411.96333816 Hz . . . . . . 51406 9
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 . . 51406 9
stop_
loop_
_Peak.ID
_Peak.Figure_of_merit
_Peak.Type
_Peak.Restraint
_Peak.Details
_Peak.Entry_ID
_Peak.Spectral_peak_list_ID
1 1.0 . . . 51406 9
2 1.0 . . . 51406 9
3 1.0 . . . 51406 9
4 1.0 . . . 51406 9
5 1.0 . . . 51406 9
6 1.0 . . . 51406 9
7 1.0 . . . 51406 9
8 1.0 . . . 51406 9
9 1.0 . . . 51406 9
10 1.0 . . . 51406 9
11 1.0 . . . 51406 9
12 1.0 . . . 51406 9
13 1.0 . . . 51406 9
14 1.0 . . . 51406 9
15 1.0 . . . 51406 9
16 1.0 . . . 51406 9
17 1.0 . . . 51406 9
18 1.0 . . . 51406 9
19 1.0 . . . 51406 9
20 1.0 . . . 51406 9
21 1.0 . . . 51406 9
22 1.0 . . . 51406 9
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 -99608.812500 . height 51406 9
1 -2666587.218750 . volume 51406 9
2 -16396.343750 . height 51406 9
2 -540752.703125 . volume 51406 9
3 -94418.125000 . height 51406 9
3 -2926799.468750 . volume 51406 9
4 -166055.187500 . height 51406 9
4 -5468858.656250 . volume 51406 9
5 -84124.375000 . height 51406 9
5 -2572911.609380 . volume 51406 9
6 -849744.875000 . height 51406 9
6 -23449895.312500 . volume 51406 9
7 -23723.781250 . height 51406 9
7 -493203.484375 . volume 51406 9
8 -168984.406250 . height 51406 9
8 -5400627.625000 . volume 51406 9
9 -54514.906250 . height 51406 9
9 -1645283.875000 . volume 51406 9
10 -108058.421875 . height 51406 9
10 -3572658.859380 . volume 51406 9
11 -70436.390625 . height 51406 9
11 -2181030.515620 . volume 51406 9
12 -194096.093750 . height 51406 9
12 -4978045.390620 . volume 51406 9
13 -205464.750000 . height 51406 9
13 -5814628.156250 . volume 51406 9
14 -61335.281250 . height 51406 9
14 -1894256.921880 . volume 51406 9
15 -142738.812500 . height 51406 9
15 -4399094.265620 . volume 51406 9
16 -57247.062500 . height 51406 9
16 -1725882.968750 . volume 51406 9
17 -85875.140625 . height 51406 9
17 -2370788.671880 . volume 51406 9
18 -21902.890625 . height 51406 9
18 -592148.937500 . volume 51406 9
19 -146502.687500 . height 51406 9
19 -4033301.843750 . volume 51406 9
20 -166143.968750 . height 51406 9
20 -4782195.953120 . volume 51406 9
21 -41359.187500 . height 51406 9
21 -972917.531250 . volume 51406 9
22 -11507.156250 . height 51406 9
22 -264004.703125 . volume 51406 9
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 7.770 . 36.7963354194 . . . . . . . . . . . 51406 9
1 2 3.686 . 260.1592480640 . . . . . . . . . . . 51406 9
1 3 123.021 . 41.0311703974 . . . . . . . . . . . 51406 9
2 1 8.379 . 41.6290529248 . . . . . . . . . . . 51406 9
2 2 4.273 . 304.5561934720 . . . . . . . . . . . 51406 9
2 3 124.478 . 48.3794627532 . . . . . . . . . . . 51406 9
3 1 7.653 . 58.2123645628 . . . . . . . . . . . 51406 9
3 2 3.830 . 270.3611590280 . . . . . . . . . . . 51406 9
3 3 120.886 . 43.3607976677 . . . . . . . . . . . 51406 9
4 1 7.614 . 30.3301345620 . . . . . . . . . . . 51406 9
4 2 3.844 . 267.1915943880 . . . . . . . . . . . 51406 9
4 3 121.189 . 45.8960077697 . . . . . . . . . . . 51406 9
5 1 7.878 . 27.2628534523 . . . . . . . . . . . 51406 9
5 2 3.841 . 275.4205415230 . . . . . . . . . . . 51406 9
5 3 128.805 . 42.8685130443 . . . . . . . . . . . 51406 9
6 1 7.655 . 23.6747842847 . . . . . . . . . . . 51406 9
6 2 3.879 . 243.4789633550 . . . . . . . . . . . 51406 9
6 3 128.709 . 40.3401676837 . . . . . . . . . . . 51406 9
7 1 7.571 . 22.5105369934 . . . . . . . . . . . 51406 9
7 2 3.351 . 213.5203666050 . . . . . . . . . . . 51406 9
7 3 115.001 . 38.0753780757 . . . . . . . . . . . 51406 9
8 1 7.737 . 25.8964119536 . . . . . . . . . . . 51406 9
8 2 3.842 . 278.7228391950 . . . . . . . . . . . 51406 9
8 3 127.920 . 41.0813800505 . . . . . . . . . . . 51406 9
9 1 7.844 . 26.7965022964 . . . . . . . . . . . 51406 9
9 2 3.840 . 267.8717885700 . . . . . . . . . . . 51406 9
9 3 127.483 . 44.7715199977 . . . . . . . . . . . 51406 9
10 1 7.441 . 24.0247357975 . . . . . . . . . . . 51406 9
10 2 3.767 . 276.0015615900 . . . . . . . . . . . 51406 9
10 3 129.106 . 39.4351000494 . . . . . . . . . . . 51406 9
11 1 7.950 . 28.1537873576 . . . . . . . . . . . 51406 9
11 2 4.111 . 274.8856023580 . . . . . . . . . . . 51406 9
11 3 123.644 . 48.4158351004 . . . . . . . . . . . 51406 9
12 1 7.814 . 27.1450740721 . . . . . . . . . . . 51406 9
12 2 4.152 . 259.9333514690 . . . . . . . . . . . 51406 9
12 3 124.291 . 36.8097497827 . . . . . . . . . . . 51406 9
13 1 7.594 . 25.3357369490 . . . . . . . . . . . 51406 9
13 2 4.098 . 255.0362538890 . . . . . . . . . . . 51406 9
13 3 126.290 . 78.3093758844 . . . . . . . . . . . 51406 9
14 1 7.880 . 31.1675095799 . . . . . . . . . . . 51406 9
14 2 3.935 . 256.4948146080 . . . . . . . . . . . 51406 9
14 3 123.472 . 63.4192845353 . . . . . . . . . . . 51406 9
15 1 7.644 . 95.7660502456 . . . . . . . . . . . 51406 9
15 2 4.100 . 252.0860744120 . . . . . . . . . . . 51406 9
15 3 126.533 . 76.4165761904 . . . . . . . . . . . 51406 9
16 1 7.885 . 33.5005196658 . . . . . . . . . . . 51406 9
16 2 3.864 . 284.1648935270 . . . . . . . . . . . 51406 9
16 3 126.808 . 44.4431984649 . . . . . . . . . . . 51406 9
19 1 7.535 . 27.9319005382 . . . . . . . . . . . 51406 9
19 2 3.855 . 242.4436457020 . . . . . . . . . . . 51406 9
19 3 127.482 . 41.3893589465 . . . . . . . . . . . 51406 9
20 1 7.575 . 88.7993810956 . . . . . . . . . . . 51406 9
20 2 4.113 . 249.1534257140 . . . . . . . . . . . 51406 9
20 3 126.830 . 73.8397463473 . . . . . . . . . . . 51406 9
21 1 7.810 . 37.3128588352 . . . . . . . . . . . 51406 9
21 2 3.940 . 240.2052158070 . . . . . . . . . . . 51406 9
21 3 119.871 . 38.6598515039 . . . . . . . . . . . 51406 9
22 1 8.274 . 39.4998676448 . . . . . . . . . . . 51406 9
22 2 4.223 . 253.2330881650 . . . . . . . . . . . 51406 9
22 3 126.809 . 37.4807692701 . . . . . . . . . . . 51406 9
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 . . 7.770 . . 1 . 1 1 8 VAL H . . . . . . . . . . 43 . 51406 9
1 2 1 . . 3.686 . . 1 . 1 1 8 VAL HA . . . . . . . . . . 254 . 51406 9
1 3 1 . . 123.021 . . 1 . 1 1 8 VAL N . . . . . . . . . . 44 . 51406 9
2 1 1 . . 8.379 . . 1 . 1 1 9 ASP H . . . . . . . . . . 31 . 51406 9
2 2 1 . . 4.273 . . 1 . 1 1 9 ASP HA . . . . . . . . . . 258 . 51406 9
2 3 1 . . 124.478 . . 1 . 1 1 9 ASP N . . . . . . . . . . 32 . 51406 9
3 1 1 . . 7.653 . . 1 . 1 1 30 THR H . . . . . . . . . . 86 . 51406 9
3 2 1 . . 3.830 . . 1 . 1 1 30 THR HA . . . . . . . . . . 262 . 51406 9
3 3 1 . . 120.886 . . 1 . 1 1 30 THR N . . . . . . . . . . 87 . 51406 9
4 1 1 . . 7.614 . . 1 . 1 1 31 THR H . . . . . . . . . . 51 . 51406 9
4 2 1 . . 3.844 . . 1 . 1 1 31 THR HA . . . . . . . . . . 265 . 51406 9
4 3 1 . . 121.189 . . 1 . 1 1 31 THR N . . . . . . . . . . 52 . 51406 9
5 1 1 . . 7.878 . . 1 . 1 1 32 LYS H . . . . . . . . . . 72 . 51406 9
5 2 1 . . 3.841 . . 1 . 1 1 32 LYS HA . . . . . . . . . . 267 . 51406 9
5 3 1 . . 128.805 . . 1 . 1 1 32 LYS N . . . . . . . . . . 73 . 51406 9
6 1 1 . . 7.655 . . 1 . 1 1 44 LEU H . . . . . . . . . . 19 . 51406 9
6 2 1 . . 3.879 . . 1 . 1 1 44 LEU HA . . . . . . . . . . 271 . 51406 9
6 3 1 . . 128.709 . . 1 . 1 1 44 LEU N . . . . . . . . . . 20 . 51406 9
7 1 1 . . 7.571 . . 1 . 1 1 38 GLY H . . . . . . . . . . 3 . 51406 9
7 2 1 . . 3.351 . . 1 . 1 1 38 GLY HA3 . . . . . . . . . . 277 . 51406 9
7 3 1 . . 115.001 . . 1 . 1 1 38 GLY N . . . . . . . . . . 4 . 51406 9
8 1 1 . . 7.737 . . 1 . 1 1 18 LYS H . . . . . . . . . . 9 . 51406 9
8 2 1 . . 3.842 . . 1 . 1 1 18 LYS HA . . . . . . . . . . 278 . 51406 9
8 3 1 . . 127.920 . . 1 . 1 1 18 LYS N . . . . . . . . . . 10 . 51406 9
9 1 1 . . 7.844 . . 1 . 1 1 35 ARG H . . . . . . . . . . 27 . 51406 9
9 2 1 . . 3.840 . . 1 . 1 1 35 ARG HA . . . . . . . . . . 283 . 51406 9
9 3 1 . . 127.483 . . 1 . 1 1 35 ARG N . . . . . . . . . . 28 . 51406 9
10 1 1 . . 7.441 . . 1 . 1 1 26 ALA H . . . . . . . . . . 39 . 51406 9
10 2 1 . . 3.767 . . 1 . 1 1 26 ALA HA . . . . . . . . . . 288 . 51406 9
10 3 1 . . 129.106 . . 1 . 1 1 26 ALA N . . . . . . . . . . 40 . 51406 9
11 1 1 . . 7.950 . . 1 . . . . . . . . . . . . . . . . 90 . 51406 9
11 2 1 . . 4.111 . . 1 . . . . . . . . . . . . . . . . 290 . 51406 9
11 3 1 . . 123.644 . . 1 . . . . . . . . . . . . . . . . 91 . 51406 9
12 1 1 . . 7.814 . . 1 . 1 1 25 ASN H . . . . . . . . . . 7 . 51406 9
12 2 1 . . 4.152 . . 1 . 1 1 25 ASN HA . . . . . . . . . . 292 . 51406 9
12 3 1 . . 124.291 . . 1 . 1 1 25 ASN N . . . . . . . . . . 8 . 51406 9
13 1 1 . . 7.594 . . 1 . 1 1 22 TYR H . . . . . . . . . . 62 . 51406 9
13 2 1 . . 4.098 . . 1 . 1 1 22 TYR HA . . . . . . . . . . 302 . 51406 9
13 3 1 . . 126.290 . . 1 . 1 1 22 TYR N . . . . . . . . . . 63 . 51406 9
14 1 1 . . 7.880 . . 1 . . . . . . . . . . . . . . . . 5 . 51406 9
14 2 1 . . 3.935 . . 1 . . . . . . . . . . . . . . . . 305 . 51406 9
14 3 1 . . 123.472 . . 1 . . . . . . . . . . . . . . . . 6 . 51406 9
15 1 1 . . 7.644 . . 1 . . . . . . . . . . . . . . . . 11 . 51406 9
15 2 1 . . 4.100 . . 1 . . . . . . . . . . . . . . . . 311 . 51406 9
15 3 1 . . 126.533 . . 1 . . . . . . . . . . . . . . . . 12 . 51406 9
16 1 1 . . 7.885 . . 1 . 1 1 20 GLN H . . . . . . . . . . 55 . 51406 9
16 2 1 . . 3.864 . . 1 . 1 1 20 GLN HA . . . . . . . . . . 316 . 51406 9
16 3 1 . . 126.808 . . 1 . 1 1 20 GLN N . . . . . . . . . . 56 . 51406 9
19 1 1 . . 7.535 . . 1 . . . . . . . . . . . . . . . . 45 . 51406 9
19 2 1 . . 3.855 . . 1 . . . . . . . . . . . . . . . . 346 . 51406 9
19 3 1 . . 127.482 . . 1 . . . . . . . . . . . . . . . . 46 . 51406 9
20 1 1 . . 7.575 . . 1 . 1 1 6 TYR H . . . . . . . . . . 64 . 51406 9
20 2 1 . . 4.113 . . 1 . 1 1 6 TYR HA . . . . . . . . . . 349 . 51406 9
20 3 1 . . 126.830 . . 1 . 1 1 6 TYR N . . . . . . . . . . 65 . 51406 9
21 1 1 . . 7.810 . . 1 . 1 1 11 ASN H . . . . . . . . . . 21 . 51406 9
21 2 1 . . 3.940 . . 1 . 1 1 11 ASN HA . . . . . . . . . . 352 . 51406 9
21 3 1 . . 119.871 . . 1 . 1 1 11 ASN N . . . . . . . . . . 22 . 51406 9
22 1 1 . . 8.274 . . 1 . 1 1 12 ASP H . . . . . . . . . . 41 . 51406 9
22 2 1 . . 4.223 . . 1 . 1 1 12 ASP HA . . . . . . . . . . 354 . 51406 9
22 3 1 . . 126.809 . . 1 . 1 1 12 ASP N . . . . . . . . . . 42 . 51406 9
stop_
save_
#########################
# Spectral peak lists #
#########################
save_spectral_peak_list_10
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_10
_Spectral_peak_list.Entry_ID 51406
_Spectral_peak_list.ID 10
_Spectral_peak_list.Name 'peak list 1 2 3 4 5 6 7 8 9 10'
_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 HNHB'
_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 '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 . aliased 4208.75420875 Hz . . . . . . 51406 10
2 . . H 1 1H . aliased 8403.36134454 Hz . . . . . . 51406 10
3 . . N 15 15N . aliased 2411.96333816 Hz . . . . . . 51406 10
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 . . 51406 10
stop_
loop_
_Peak.ID
_Peak.Figure_of_merit
_Peak.Type
_Peak.Restraint
_Peak.Details
_Peak.Entry_ID
_Peak.Spectral_peak_list_ID
1 1.0 . . . 51406 10
2 1.0 . . . 51406 10
3 1.0 . . . 51406 10
4 1.0 . . . 51406 10
5 1.0 . . . 51406 10
6 1.0 . . . 51406 10
7 1.0 . . . 51406 10
8 1.0 . . . 51406 10
9 1.0 . . . 51406 10
10 1.0 . . . 51406 10
11 1.0 . . . 51406 10
12 1.0 . . . 51406 10
13 1.0 . . . 51406 10
14 1.0 . . . 51406 10
15 1.0 . . . 51406 10
16 1.0 . . . 51406 10
17 1.0 . . . 51406 10
18 1.0 . . . 51406 10
19 1.0 . . . 51406 10
20 1.0 . . . 51406 10
21 1.0 . . . 51406 10
22 1.0 . . . 51406 10
23 1.0 . . . 51406 10
24 1.0 . . . 51406 10
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 132777.59375 . height 51406 10
1 2649980.68750 . volume 51406 10
2 51222.25000 . height 51406 10
2 1146044.09375 . volume 51406 10
3 203720.90625 . height 51406 10
3 4205343.68750 . volume 51406 10
4 376040.71875 . height 51406 10
4 7590023.40625 . volume 51406 10
5 267117.03125 . height 51406 10
5 5844370.50000 . volume 51406 10
6 1990050.75000 . height 51406 10
6 42038735.56250 . volume 51406 10
7 582796.81250 . height 51406 10
7 12066436.75000 . volume 51406 10
8 132717.00000 . height 51406 10
8 2816304.40625 . volume 51406 10
9 1034232.50000 . height 51406 10
9 20211304.46880 . volume 51406 10
10 176502.00000 . height 51406 10
10 3781305.75000 . volume 51406 10
11 536625.18750 . height 51406 10
11 11011554.03120 . volume 51406 10
12 301530.75000 . height 51406 10
12 6052831.21875 . volume 51406 10
13 186211.75000 . height 51406 10
13 3896956.21875 . volume 51406 10
14 275896.18750 . height 51406 10
14 5775827.50000 . volume 51406 10
15 145690.75000 . height 51406 10
15 3099701.34375 . volume 51406 10
16 249082.09375 . height 51406 10
16 4945672.59375 . volume 51406 10
17 110255.59375 . height 51406 10
17 2242455.90625 . volume 51406 10
18 84657.25000 . height 51406 10
18 1805554.96875 . volume 51406 10
19 147326.43750 . height 51406 10
19 3369308.03125 . volume 51406 10
20 39481.96875 . height 51406 10
20 808123.43750 . volume 51406 10
21 304223.43750 . height 51406 10
21 6157707.59375 . volume 51406 10
22 153753.40625 . height 51406 10
22 3494719.31250 . volume 51406 10
23 109820.40625 . height 51406 10
23 2606835.68750 . volume 51406 10
24 15598.90625 . height 51406 10
24 348576.28125 . volume 51406 10
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 7.781 . 30.4733763640 . . . . . . . . . . . 51406 10
1 2 1.645 . 86.8214278662 . . . . . . . . . . . 51406 10
1 3 122.983 . 40.6882927375 . . . . . . . . . . . 51406 10
2 1 8.387 . 62.4464015768 . . . . . . . . . . . 51406 10
2 2 2.425 . 179.9975122720 . . . . . . . . . . . 51406 10
2 3 124.439 . 51.9855725150 . . . . . . . . . . . 51406 10
3 1 7.659 . 55.4463678739 . . . . . . . . . . . 51406 10
3 2 3.930 . 98.2795442854 . . . . . . . . . . . 51406 10
3 3 120.978 . 43.2532620326 . . . . . . . . . . . 51406 10
4 1 7.619 . 25.9691617304 . . . . . . . . . . . 51406 10
4 2 3.934 . 96.2880479188 . . . . . . . . . . . 51406 10
4 3 121.207 . 38.8033281934 . . . . . . . . . . . 51406 10
5 1 7.885 . 22.7402005131 . . . . . . . . . . . 51406 10
5 2 1.464 . 122.3447943940 . . . . . . . . . . . 51406 10
5 3 128.829 . 40.2858966914 . . . . . . . . . . . 51406 10
6 1 7.659 . 22.7257759884 . . . . . . . . . . . 51406 10
6 2 1.239 . 101.9339601530 . . . . . . . . . . . 51406 10
6 3 128.717 . 37.9105883408 . . . . . . . . . . . 51406 10
7 1 7.744 . 23.8219144368 . . . . . . . . . . . 51406 10
7 2 1.490 . 131.3015192500 . . . . . . . . . . . 51406 10
7 3 127.927 . 37.8592285740 . . . . . . . . . . . 51406 10
8 1 7.851 . 25.8057255938 . . . . . . . . . . . 51406 10
8 2 1.499 . 171.3914029740 . . . . . . . . . . . 51406 10
8 3 127.529 . 47.6538128630 . . . . . . . . . . . 51406 10
9 1 7.446 . 23.2234848067 . . . . . . . . . . . 51406 10
9 2 1.013 . 91.0273119181 . . . . . . . . . . . 51406 10
9 3 129.111 . 37.6175609235 . . . . . . . . . . . 51406 10
10 1 7.951 . 25.5553660168 . . . . . . . . . . . 51406 10
10 2 2.403 . 104.4403605100 . . . . . . . . . . . 51406 10
10 3 123.644 . 47.9557177207 . . . . . . . . . . . 51406 10
11 1 7.821 . 24.7044444887 . . . . . . . . . . . 51406 10
11 2 2.426 . 101.3103653400 . . . . . . . . . . . 51406 10
11 3 124.298 . 38.5556224459 . . . . . . . . . . . 51406 10
12 1 7.598 . 21.9471025146 . . . . . . . . . . . 51406 10
12 2 2.780 . 88.2379147185 . . . . . . . . . . . 51406 10
12 3 126.318 . 49.8737480349 . . . . . . . . . . . 51406 10
13 1 7.596 . 21.7060248057 . . . . . . . . . . . 51406 10
13 2 2.526 . 104.7208529560 . . . . . . . . . . . 51406 10
13 3 126.343 . 64.5206622093 . . . . . . . . . . . 51406 10
14 1 7.890 . 25.1186164943 . . . . . . . . . . . 51406 10
14 2 3.540 . 93.2116468414 . . . . . . . . . . . 51406 10
14 3 123.336 . 50.9269646959 . . . . . . . . . . . 51406 10
15 1 7.649 . 26.7365464458 . . . . . . . . . . . 51406 10
15 2 2.526 . 100.5460234250 . . . . . . . . . . . 51406 10
15 3 126.657 . 54.9982235849 . . . . . . . . . . . 51406 10
16 1 7.649 . 26.0414097847 . . . . . . . . . . . 51406 10
16 2 2.794 . 88.6571507494 . . . . . . . . . . . 51406 10
16 3 126.568 . 52.6222323543 . . . . . . . . . . . 51406 10
17 1 7.890 . 29.3007252192 . . . . . . . . . . . 51406 10
17 2 1.807 . 101.1240382150 . . . . . . . . . . . 51406 10
17 3 126.781 . 42.3928331880 . . . . . . . . . . . 51406 10
18 1 7.889 . 26.0598480902 . . . . . . . . . . . 51406 10
18 2 1.598 . 115.0630101440 . . . . . . . . . . . 51406 10
18 3 126.795 . 42.8981644142 . . . . . . . . . . . 51406 10
19 1 7.497 . 25.3487817366 . . . . . . . . . . . 51406 10
19 2 2.752 . 158.6234870080 . . . . . . . . . . . 51406 10
19 3 124.884 . 54.9172843302 . . . . . . . . . . . 51406 10
20 1 7.972 . 43.9016054375 . . . . . . . . . . . 51406 10
20 2 1.308 . 87.3718942915 . . . . . . . . . . . 51406 10
20 3 122.580 . 47.5770427706 . . . . . . . . . . . 51406 10
21 1 7.541 . 25.6447980701 . . . . . . . . . . . 51406 10
21 2 1.243 . 94.5229490264 . . . . . . . . . . . 51406 10
21 3 127.497 . 43.4980206138 . . . . . . . . . . . 51406 10
22 1 7.567 . 75.1911590396 . . . . . . . . . . . 51406 10
22 2 2.552 . 235.9968273580 . . . . . . . . . . . 51406 10
22 3 126.830 . 36.6958166399 . . . . . . . . . . . 51406 10
23 1 7.572 . 82.8471950409 . . . . . . . . . . . 51406 10
23 2 2.791 . 270.8094460620 . . . . . . . . . . . 51406 10
23 3 126.830 . 41.9917310199 . . . . . . . . . . . 51406 10
24 1 8.271 . 37.8894635323 . . . . . . . . . . . 51406 10
24 2 2.280 . 128.5582029520 . . . . . . . . . . . 51406 10
24 3 126.767 . 45.1653980139 . . . . . . . . . . . 51406 10
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 . . 7.781 . . 1 . 1 1 8 VAL H . . . . . . . . . . 43 . 51406 10
1 2 1 . . 1.645 . . 1 . 1 1 8 VAL HB . . . . . . . . . . 255 . 51406 10
1 3 1 . . 122.983 . . 1 . 1 1 8 VAL N . . . . . . . . . . 44 . 51406 10
2 1 1 . . 8.387 . . 1 . 1 1 9 ASP H . . . . . . . . . . 31 . 51406 10
2 2 1 . . 2.425 . . 1 . 1 1 9 ASP HB2 . . . . . . . . . . 259 . 51406 10
2 3 1 . . 124.439 . . 1 . 1 1 9 ASP N . . . . . . . . . . 32 . 51406 10
3 1 1 . . 7.659 . . 1 . 1 1 30 THR H . . . . . . . . . . 86 . 51406 10
3 2 1 . . 3.930 . . 1 . 1 1 30 THR HB . . . . . . . . . . 261 . 51406 10
3 3 1 . . 120.978 . . 1 . 1 1 30 THR N . . . . . . . . . . 87 . 51406 10
4 1 1 . . 7.619 . . 1 . 1 1 31 THR H . . . . . . . . . . 51 . 51406 10
4 2 1 . . 3.934 . . 1 . 1 1 31 THR HB . . . . . . . . . . 266 . 51406 10
4 3 1 . . 121.207 . . 1 . 1 1 31 THR N . . . . . . . . . . 52 . 51406 10
5 1 1 . . 7.885 . . 1 . 1 1 32 LYS H . . . . . . . . . . 72 . 51406 10
5 2 1 . . 1.464 . . 1 . 1 1 32 LYS HB2 . . . . . . . . . . 268 . 51406 10
5 3 1 . . 128.829 . . 1 . 1 1 32 LYS N . . . . . . . . . . 73 . 51406 10
6 1 1 . . 7.659 . . 1 . 1 1 44 LEU H . . . . . . . . . . 19 . 51406 10
6 2 1 . . 1.239 . . 1 . 1 1 44 LEU HB2 . . . . . . . . . . 272 . 51406 10
6 3 1 . . 128.717 . . 1 . 1 1 44 LEU N . . . . . . . . . . 20 . 51406 10
7 1 1 . . 7.744 . . 1 . 1 1 18 LYS H . . . . . . . . . . 9 . 51406 10
7 2 1 . . 1.490 . . 1 . 1 1 18 LYS HB2 . . . . . . . . . . 280 . 51406 10
7 3 1 . . 127.927 . . 1 . 1 1 18 LYS N . . . . . . . . . . 10 . 51406 10
8 1 1 . . 7.851 . . 1 . 1 1 35 ARG H . . . . . . . . . . 27 . 51406 10
8 2 1 . . 1.499 . . 1 . 1 1 35 ARG HB2 . . . . . . . . . . 285 . 51406 10
8 3 1 . . 127.529 . . 1 . 1 1 35 ARG N . . . . . . . . . . 28 . 51406 10
9 1 1 . . 7.446 . . 1 . 1 1 26 ALA H . . . . . . . . . . 39 . 51406 10
9 2 1 . . 1.013 . . 1 . 1 1 26 ALA MB . . . . . . . . . . 289 . 51406 10
9 3 1 . . 129.111 . . 1 . 1 1 26 ALA N . . . . . . . . . . 40 . 51406 10
10 1 1 . . 7.951 . . 1 . . . . . . . . . . . . . . . . 90 . 51406 10
10 2 1 . . 2.403 . . 1 . . . . . . . . . . . . . . . . 291 . 51406 10
10 3 1 . . 123.644 . . 1 . . . . . . . . . . . . . . . . 91 . 51406 10
11 1 1 . . 7.821 . . 1 . 1 1 25 ASN H . . . . . . . . . . 7 . 51406 10
11 2 1 . . 2.426 . . 1 . 1 1 25 ASN HB2 . . . . . . . . . . 293 . 51406 10
11 3 1 . . 124.298 . . 1 . 1 1 25 ASN N . . . . . . . . . . 8 . 51406 10
12 1 1 . . 7.598 . . 1 . 1 1 22 TYR H . . . . . . . . . . 62 . 51406 10
12 2 1 . . 2.780 . . 1 . 1 1 22 TYR HB3 . . . . . . . . . . 304 . 51406 10
12 3 1 . . 126.318 . . 1 . 1 1 22 TYR N . . . . . . . . . . 63 . 51406 10
13 1 1 . . 7.596 . . 1 . 1 1 22 TYR H . . . . . . . . . . 62 . 51406 10
13 2 1 . . 2.526 . . 1 . 1 1 22 TYR HB2 . . . . . . . . . . 303 . 51406 10
13 3 1 . . 126.343 . . 1 . 1 1 22 TYR N . . . . . . . . . . 63 . 51406 10
14 1 1 . . 7.890 . . 1 . . . . . . . . . . . . . . . . 5 . 51406 10
14 2 1 . . 3.540 . . 1 . . . . . . . . . . . . . . . . 306 . 51406 10
14 3 1 . . 123.336 . . 1 . . . . . . . . . . . . . . . . 6 . 51406 10
15 1 1 . . 7.649 . . 1 . . . . . . . . . . . . . . . . 11 . 51406 10
15 2 1 . . 2.526 . . 1 . . . . . . . . . . . . . . . . 312 . 51406 10
15 3 1 . . 126.657 . . 1 . . . . . . . . . . . . . . . . 12 . 51406 10
16 1 1 . . 7.649 . . 1 . . . . . . . . . . . . . . . . 11 . 51406 10
16 2 1 . . 2.794 . . 1 . . . . . . . . . . . . . . . . 313 . 51406 10
16 3 1 . . 126.568 . . 1 . . . . . . . . . . . . . . . . 12 . 51406 10
17 1 1 . . 7.890 . . 1 . 1 1 20 GLN H . . . . . . . . . . 55 . 51406 10
17 2 1 . . 1.807 . . 1 . 1 1 20 GLN HB3 . . . . . . . . . . 318 . 51406 10
17 3 1 . . 126.781 . . 1 . 1 1 20 GLN N . . . . . . . . . . 56 . 51406 10
18 1 1 . . 7.889 . . 1 . 1 1 20 GLN H . . . . . . . . . . 55 . 51406 10
18 2 1 . . 1.598 . . 1 . 1 1 20 GLN HB2 . . . . . . . . . . 317 . 51406 10
18 3 1 . . 126.795 . . 1 . 1 1 20 GLN N . . . . . . . . . . 56 . 51406 10
19 1 1 . . 7.497 . . 1 . 1 1 28 HIS H . . . . . . . . . . 60 . 51406 10
19 2 1 . . 2.752 . . 1 . 1 1 28 HIS HB2 . . . . . . . . . . 338 . 51406 10
19 3 1 . . 124.884 . . 1 . 1 1 28 HIS N . . . . . . . . . . 61 . 51406 10
20 1 1 . . 7.972 . . 1 . 1 1 24 LEU H . . . . . . . . . . 59 . 51406 10
20 2 1 . . 1.308 . . 1 . 1 1 24 LEU HB2 . . . . . . . . . . 340 . 51406 10
20 3 1 . . 122.580 . . 1 . 1 1 24 LEU N . . . . . . . . . . 328 . 51406 10
21 1 1 . . 7.541 . . 1 . . . . . . . . . . . . . . . . 45 . 51406 10
21 2 1 . . 1.243 . . 1 . . . . . . . . . . . . . . . . 347 . 51406 10
21 3 1 . . 127.497 . . 1 . . . . . . . . . . . . . . . . 46 . 51406 10
22 1 1 . . 7.567 . . 1 . 1 1 6 TYR H . . . . . . . . . . 64 . 51406 10
22 2 1 . . 2.552 . . 1 . 1 1 6 TYR HB2 . . . . . . . . . . 350 . 51406 10
22 3 1 . . 126.830 . . 1 . 1 1 6 TYR N . . . . . . . . . . 65 . 51406 10
23 1 1 . . 7.572 . . 1 . 1 1 6 TYR H . . . . . . . . . . 64 . 51406 10
23 2 1 . . 2.791 . . 1 . 1 1 6 TYR HB3 . . . . . . . . . . 351 . 51406 10
23 3 1 . . 126.830 . . 1 . 1 1 6 TYR N . . . . . . . . . . 65 . 51406 10
24 1 1 . . 8.271 . . 1 . 1 1 12 ASP H . . . . . . . . . . 41 . 51406 10
24 2 1 . . 2.280 . . 1 . 1 1 12 ASP HB2 . . . . . . . . . . 353 . 51406 10
24 3 1 . . 126.767 . . 1 . 1 1 12 ASP N . . . . . . . . . . 42 . 51406 10
stop_
save_