Content for NMR-STAR saveframe, "spectral_peak_list_1"
save_spectral_peak_list_1
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_1
_Spectral_peak_list.Entry_ID 34709
_Spectral_peak_list.ID 1
_Spectral_peak_list.Name .
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $sample_1
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
_Spectral_peak_list.Chem_shift_reference_ID 1
_Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1
_Spectral_peak_list.Experiment_ID 4
_Spectral_peak_list.Experiment_name '3D HCACO'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 3
_Spectral_peak_list.Chemical_shift_list .
_Spectral_peak_list.Assigned_chem_shift_list_ID 1
_Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1
_Spectral_peak_list.Details .
_Spectral_peak_list.Text_data_format .
_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 HN . 'not observed' 12.517 ppm . . . 6.607 . . 34709 1
2 . . N 15 N . 'not observed' 34.999 ppm . . . 118.081 . . 34709 1
3 . . C 13 CO . 'not observed' 14.002 ppm . . . 178.752 . . 34709 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 . . . 34709 1
2 1.0 . . . 34709 1
3 1.0 . . . 34709 1
4 1.0 . . . 34709 1
5 1.0 . . . 34709 1
6 1.0 . . . 34709 1
7 1.0 . . . 34709 1
8 1.0 . . . 34709 1
9 1.0 . . . 34709 1
10 1.0 . . . 34709 1
11 1.0 . . . 34709 1
12 1.0 . . . 34709 1
13 1.0 . . . 34709 1
14 1.0 . . . 34709 1
15 1.0 . . . 34709 1
16 1.0 . . . 34709 1
17 1.0 . . . 34709 1
18 1.0 . . . 34709 1
19 1.0 . . . 34709 1
20 1.0 . . . 34709 1
21 1.0 . . . 34709 1
22 1.0 . . . 34709 1
23 1.0 . . . 34709 1
24 1.0 . . . 34709 1
25 1.0 . . . 34709 1
26 1.0 . . . 34709 1
27 1.0 . . . 34709 1
28 1.0 . . . 34709 1
29 1.0 . . . 34709 1
30 1.0 . . . 34709 1
31 1.0 . . . 34709 1
32 1.0 . . . 34709 1
33 1.0 . . . 34709 1
34 1.0 . . . 34709 1
35 1.0 . . . 34709 1
36 1.0 . . . 34709 1
37 1.0 . . . 34709 1
38 1.0 . . . 34709 1
39 1.0 . . . 34709 1
40 1.0 . . . 34709 1
41 1.0 . . . 34709 1
42 1.0 . . . 34709 1
43 1.0 . . . 34709 1
44 1.0 . . . 34709 1
45 1.0 . . . 34709 1
46 1.0 . . . 34709 1
47 1.0 . . . 34709 1
48 1.0 . . . 34709 1
49 1.0 . . . 34709 1
50 1.0 . . . 34709 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 29816.5 . height 34709 1
1 303189.0 . volume 34709 1
2 92373.0 . height 34709 1
2 1600230.5 . volume 34709 1
3 193169.0 . height 34709 1
3 2223962.5 . volume 34709 1
4 300470.5 . height 34709 1
4 3469229.5 . volume 34709 1
5 195248.0 . height 34709 1
5 2033252.5 . volume 34709 1
6 281184.0 . height 34709 1
6 3400127.0 . volume 34709 1
7 250474.5 . height 34709 1
7 2709865.5 . volume 34709 1
8 224508.0 . height 34709 1
8 2189014.0 . volume 34709 1
9 22895.0 . height 34709 1
9 339660.5 . volume 34709 1
10 27563.0 . height 34709 1
10 292204.0 . volume 34709 1
11 311523.0 . height 34709 1
11 3657585.5 . volume 34709 1
12 206818.0 . height 34709 1
12 2033043.0 . volume 34709 1
13 157153.0 . height 34709 1
13 1680047.0 . volume 34709 1
14 27050.5 . height 34709 1
14 256246.0 . volume 34709 1
15 160904.5 . height 34709 1
15 2013967.5 . volume 34709 1
16 144842.0 . height 34709 1
16 1869236.0 . volume 34709 1
17 343000.5 . height 34709 1
17 3882592.5 . volume 34709 1
18 170127.0 . height 34709 1
18 1576651.0 . volume 34709 1
19 410015.0 . height 34709 1
19 5197710.5 . volume 34709 1
20 286638.5 . height 34709 1
20 3756941.5 . volume 34709 1
21 56396.5 . height 34709 1
21 463420.0 . volume 34709 1
22 51932.0 . height 34709 1
22 869013.0 . volume 34709 1
23 893426.0 . height 34709 1
23 8499776.5 . volume 34709 1
24 85604.0 . height 34709 1
24 707878.5 . volume 34709 1
25 670466.5 . height 34709 1
25 7024789.0 . volume 34709 1
26 502334.0 . height 34709 1
26 5614683.0 . volume 34709 1
27 100299.0 . height 34709 1
27 898768.5 . volume 34709 1
28 566307.5 . height 34709 1
28 7553072.5 . volume 34709 1
29 320392.5 . height 34709 1
29 4510857.0 . volume 34709 1
30 137409.0 . height 34709 1
30 1437842.0 . volume 34709 1
31 139977.0 . height 34709 1
31 1225735.5 . volume 34709 1
32 180094.5 . height 34709 1
32 1695711.5 . volume 34709 1
33 249433.5 . height 34709 1
33 3704781.0 . volume 34709 1
34 809475.0 . height 34709 1
34 8123648.5 . volume 34709 1
35 609346.0 . height 34709 1
35 6329828.5 . volume 34709 1
36 361166.5 . height 34709 1
36 4019241.5 . volume 34709 1
37 543034.5 . height 34709 1
37 7125907.0 . volume 34709 1
38 65359.5 . height 34709 1
38 846587.5 . volume 34709 1
39 599871.0 . height 34709 1
39 6430800.0 . volume 34709 1
40 112592.0 . height 34709 1
40 1100018.0 . volume 34709 1
41 296208.0 . height 34709 1
41 2839760.0 . volume 34709 1
42 211785.5 . height 34709 1
42 1066262.5 . volume 34709 1
43 471856.0 . height 34709 1
43 4778490.5 . volume 34709 1
44 104865.5 . height 34709 1
44 1270911.0 . volume 34709 1
45 166783.5 . height 34709 1
45 2879423.0 . volume 34709 1
46 584196.0 . height 34709 1
46 6664804.0 . volume 34709 1
47 617248.5 . height 34709 1
47 6335515.0 . volume 34709 1
48 447855.5 . height 34709 1
48 4796856.0 . volume 34709 1
49 1325592.0 . height 34709 1
49 10481092.5 . volume 34709 1
50 152123.0 . height 34709 1
50 1654503.0 . volume 34709 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 8.998 . 31.8797440537 . . . . . . . . . . . 34709 1
1 2 124.166 . 53.4935214241 . . . . . . . . . . . 34709 1
1 3 173.935 . 24.1138060665 . . . . . . . . . . . 34709 1
2 1 9.001 . 31.8793142125 . . . . . . . . . . . 34709 1
2 2 122.220 . 45.8971641657 . . . . . . . . . . . 34709 1
2 3 177.941 . 46.1100854337 . . . . . . . . . . . 34709 1
3 1 8.873 . 21.8289110797 . . . . . . . . . . . 34709 1
3 2 122.469 . 37.5596184265 . . . . . . . . . . . 34709 1
3 3 177.020 . 33.5306340980 . . . . . . . . . . . 34709 1
4 1 8.959 . 25.1924182939 . . . . . . . . . . . 34709 1
4 2 121.432 . 36.4262039633 . . . . . . . . . . . 34709 1
4 3 178.543 . 31.3017580678 . . . . . . . . . . . 34709 1
5 1 8.843 . 28.2748093781 . . . . . . . . . . . 34709 1
5 2 120.024 . 44.8153233276 . . . . . . . . . . . 34709 1
5 3 177.875 . 24.9450212642 . . . . . . . . . . . 34709 1
6 1 8.709 . 25.2723687530 . . . . . . . . . . . 34709 1
6 2 120.776 . 41.4181248753 . . . . . . . . . . . 34709 1
6 3 175.549 . 32.2139660481 . . . . . . . . . . . 34709 1
7 1 8.663 . 23.7553159570 . . . . . . . . . . . 34709 1
7 2 118.875 . 38.0049405024 . . . . . . . . . . . 34709 1
7 3 179.166 . 35.5373153095 . . . . . . . . . . . 34709 1
8 1 8.641 . 25.7497790208 . . . . . . . . . . . 34709 1
8 2 117.598 . 37.3346102493 . . . . . . . . . . . 34709 1
8 3 176.789 . 25.0226131056 . . . . . . . . . . . 34709 1
9 1 9.021 . 48.2383530276 . . . . . . . . . . . 34709 1
9 2 108.411 . 57.9677395638 . . . . . . . . . . . 34709 1
9 3 175.716 . 31.3658721056 . . . . . . . . . . . 34709 1
10 1 8.669 . 12.0934382496 . . . . . . . . . . . 34709 1
10 2 113.611 . 37.1727210844 . . . . . . . . . . . 34709 1
10 3 171.979 . 30.5645096132 . . . . . . . . . . . 34709 1
11 1 7.849 . 27.7651610219 . . . . . . . . . . . 34709 1
11 2 106.654 . 39.4121455753 . . . . . . . . . . . 34709 1
11 3 175.109 . 31.9043544469 . . . . . . . . . . . 34709 1
12 1 8.132 . 28.6173927966 . . . . . . . . . . . 34709 1
12 2 110.999 . 37.5486439650 . . . . . . . . . . . 34709 1
12 3 174.094 . 25.8322890097 . . . . . . . . . . . 34709 1
13 1 7.808 . 25.4070523219 . . . . . . . . . . . 34709 1
13 2 109.379 . 38.7498717187 . . . . . . . . . . . 34709 1
13 3 176.266 . 27.2827274097 . . . . . . . . . . . 34709 1
14 1 8.168 . 13.3898392411 . . . . . . . . . . . 34709 1
14 2 115.898 . 40.6076640715 . . . . . . . . . . . 34709 1
14 3 175.282 . 27.3913056034 . . . . . . . . . . . 34709 1
15 1 7.926 . 21.4817426886 . . . . . . . . . . . 34709 1
15 2 114.963 . 36.5307468096 . . . . . . . . . . . 34709 1
15 3 177.386 . 34.9063777545 . . . . . . . . . . . 34709 1
16 1 8.072 . 23.1529651869 . . . . . . . . . . . 34709 1
16 2 117.174 . 38.7082575760 . . . . . . . . . . . 34709 1
16 3 178.802 . 38.1673764290 . . . . . . . . . . . 34709 1
17 1 8.371 . 26.2286220926 . . . . . . . . . . . 34709 1
17 2 117.904 . 39.7403010025 . . . . . . . . . . . 34709 1
17 3 179.613 . 30.7053967474 . . . . . . . . . . . 34709 1
18 1 8.331 . 24.2118072876 . . . . . . . . . . . 34709 1
18 2 119.998 . 37.9304029755 . . . . . . . . . . . 34709 1
18 3 175.575 . 26.1759100218 . . . . . . . . . . . 34709 1
19 1 8.532 . 25.4291175024 . . . . . . . . . . . 34709 1
19 2 121.149 . 35.4272107934 . . . . . . . . . . . 34709 1
19 3 178.515 . 38.8162004150 . . . . . . . . . . . 34709 1
20 1 8.527 . 24.3057992251 . . . . . . . . . . . 34709 1
20 2 121.149 . 40.5462578366 . . . . . . . . . . . 34709 1
20 3 178.830 . 89.7790509201 . . . . . . . . . . . 34709 1
21 1 8.433 . 17.6355238320 . . . . . . . . . . . 34709 1
21 2 121.624 . 43.6682700829 . . . . . . . . . . . 34709 1
21 3 176.237 . 20.4252964992 . . . . . . . . . . . 34709 1
22 1 8.424 . 25.1775171331 . . . . . . . . . . . 34709 1
22 2 124.645 . 128.5195705090 . . . . . . . . . . . 34709 1
22 3 175.291 . 36.6171770900 . . . . . . . . . . . 34709 1
23 1 8.286 . 21.4330273552 . . . . . . . . . . . 34709 1
23 2 123.390 . 37.0884778199 . . . . . . . . . . . 34709 1
23 3 177.767 . 24.7124976614 . . . . . . . . . . . 34709 1
24 1 8.108 . 15.7986692000 . . . . . . . . . . . 34709 1
24 2 121.496 . 42.7913281487 . . . . . . . . . . . 34709 1
24 3 175.586 . 25.0321861250 . . . . . . . . . . . 34709 1
25 1 8.108 . 27.5141337742 . . . . . . . . . . . 34709 1
25 2 120.889 . 35.6445431912 . . . . . . . . . . . 34709 1
25 3 180.488 . 29.9413186463 . . . . . . . . . . . 34709 1
26 1 8.161 . 29.5088833988 . . . . . . . . . . . 34709 1
26 2 120.238 . 37.7853244017 . . . . . . . . . . . 34709 1
26 3 178.222 . 30.0150686839 . . . . . . . . . . . 34709 1
27 1 8.115 . 26.3349361438 . . . . . . . . . . . 34709 1
27 2 120.198 . 40.5631953001 . . . . . . . . . . . 34709 1
27 3 175.820 . 23.4117006699 . . . . . . . . . . . 34709 1
28 1 8.164 . 28.7724221813 . . . . . . . . . . . 34709 1
28 2 118.901 . 37.8469209453 . . . . . . . . . . . 34709 1
28 3 178.966 . 44.4473401363 . . . . . . . . . . . 34709 1
29 1 8.136 . 35.0475302517 . . . . . . . . . . . 34709 1
29 2 119.174 . 42.0185484436 . . . . . . . . . . . 34709 1
29 3 179.066 . 42.9251040908 . . . . . . . . . . . 34709 1
30 1 7.965 . 24.2610957426 . . . . . . . . . . . 34709 1
30 2 119.170 . 38.3058818028 . . . . . . . . . . . 34709 1
30 3 177.992 . 23.0936496964 . . . . . . . . . . . 34709 1
31 1 7.832 . 21.2404585077 . . . . . . . . . . . 34709 1
31 2 118.892 . 39.7509582829 . . . . . . . . . . . 34709 1
31 3 179.202 . 20.8757322542 . . . . . . . . . . . 34709 1
32 1 7.745 . 22.6629462445 . . . . . . . . . . . 34709 1
32 2 118.657 . 39.6144435953 . . . . . . . . . . . 34709 1
32 3 177.772 . 22.1988243040 . . . . . . . . . . . 34709 1
33 1 7.604 . 25.1437029605 . . . . . . . . . . . 34709 1
33 2 119.337 . 40.3841149269 . . . . . . . . . . . 34709 1
33 3 179.026 . 36.7323052444 . . . . . . . . . . . 34709 1
34 1 7.830 . 27.2109524637 . . . . . . . . . . . 34709 1
34 2 120.589 . 34.3405488046 . . . . . . . . . . . 34709 1
34 3 180.955 . 28.6948737320 . . . . . . . . . . . 34709 1
35 1 7.707 . 22.9156928569 . . . . . . . . . . . 34709 1
35 2 120.669 . 39.7153705786 . . . . . . . . . . . 34709 1
35 3 179.301 . 24.9450842446 . . . . . . . . . . . 34709 1
36 1 7.968 . 23.5154645800 . . . . . . . . . . . 34709 1
36 2 125.675 . 40.1259930569 . . . . . . . . . . . 34709 1
36 3 172.837 . 31.9781674649 . . . . . . . . . . . 34709 1
37 1 7.605 . 22.7374520486 . . . . . . . . . . . 34709 1
37 2 123.582 . 38.6316900908 . . . . . . . . . . . 34709 1
37 3 180.773 . 34.0374373027 . . . . . . . . . . . 34709 1
38 1 7.119 . 59.8015105446 . . . . . . . . . . . 34709 1
38 2 122.796 . 43.5061271732 . . . . . . . . . . . 34709 1
38 3 178.420 . 30.6072103181 . . . . . . . . . . . 34709 1
39 1 7.264 . 27.2909029227 . . . . . . . . . . . 34709 1
39 2 120.383 . 38.7526629112 . . . . . . . . . . . 34709 1
39 3 177.554 . 26.4134720559 . . . . . . . . . . . 34709 1
40 1 6.763 . 23.2105639047 . . . . . . . . . . . 34709 1
40 2 120.293 . 37.8958936864 . . . . . . . . . . . 34709 1
40 3 173.433 . 27.3079195660 . . . . . . . . . . . 34709 1
41 1 7.010 . 25.8646898956 . . . . . . . . . . . 34709 1
41 2 117.270 . 36.9178344603 . . . . . . . . . . . 34709 1
41 3 178.862 . 25.2432334146 . . . . . . . . . . . 34709 1
42 1 7.619 . 20.5246296667 . . . . . . . . . . . 34709 1
42 2 117.150 . 38.6401271045 . . . . . . . . . . . 34709 1
42 3 176.786 . 15.4586628812 . . . . . . . . . . . 34709 1
43 1 7.545 . 25.1543057095 . . . . . . . . . . . 34709 1
43 2 116.379 . 39.8092561445 . . . . . . . . . . . 34709 1
43 3 177.657 . 23.0847064809 . . . . . . . . . . . 34709 1
44 1 7.674 . 26.7126232585 . . . . . . . . . . . 34709 1
44 2 115.748 . 50.6626813044 . . . . . . . . . . . 34709 1
44 3 180.606 . 23.4314765126 . . . . . . . . . . . 34709 1
45 1 7.609 . 31.8374763379 . . . . . . . . . . . 34709 1
45 2 111.754 . 40.4720374906 . . . . . . . . . . . 34709 1
45 3 175.412 . 46.6412620496 . . . . . . . . . . . 34709 1
46 1 7.555 . 22.2422750121 . . . . . . . . . . . 34709 1
46 2 110.433 . 34.5599111606 . . . . . . . . . . . 34709 1
46 3 176.110 . 37.5882087553 . . . . . . . . . . . 34709 1
47 1 8.412 . 24.6341978847 . . . . . . . . . . . 34709 1
47 2 108.284 . 36.4243008775 . . . . . . . . . . . 34709 1
47 3 174.005 . 30.5898277303 . . . . . . . . . . . 34709 1
48 1 8.435 . 31.8185633261 . . . . . . . . . . . 34709 1
48 2 108.284 . 35.5274399786 . . . . . . . . . . . 34709 1
48 3 177.654 . 27.4307313280 . . . . . . . . . . . 34709 1
49 1 8.421 . 18.7711642231 . . . . . . . . . . . 34709 1
49 2 123.378 . 37.5062685880 . . . . . . . . . . . 34709 1
49 3 175.340 . 22.5755730017 . . . . . . . . . . . 34709 1
50 1 8.444 . 20.4810724273 . . . . . . . . . . . 34709 1
50 2 123.378 . 44.5655750351 . . . . . . . . . . . 34709 1
50 3 179.194 . 22.3241552817 . . . . . . . . . . . 34709 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 . . 8.998 . . . . 1 1 32 MET H . . . . . . . . . . 1 . 34709 1
1 2 1 . . 124.166 . . . . 1 1 32 MET N . . . . . . . . . . 2 . 34709 1
1 3 1 . . 173.935 . . . . 1 1 32 MET C . . . . . . . . . . 332 . 34709 1
2 1 1 . . 9.001 . . . . 1 1 67 LEU H . . . . . . . . . . 3 . 34709 1
2 2 1 . . 122.220 . . . . 1 1 67 LEU N . . . . . . . . . . 4 . 34709 1
2 3 1 . . 177.941 . . . . 1 1 67 LEU C . . . . . . . . . . 334 . 34709 1
3 1 1 . . 8.873 . . . . 1 1 45 LEU H . . . . . . . . . . 5 . 34709 1
3 2 1 . . 122.469 . . . . 1 1 45 LEU N . . . . . . . . . . 6 . 34709 1
3 3 1 . . 177.020 . . . . 1 1 45 LEU C . . . . . . . . . . 336 . 34709 1
4 1 1 . . 8.959 . . . . 1 1 78 LYS H . . . . . . . . . . 7 . 34709 1
4 2 1 . . 121.432 . . . . 1 1 78 LYS N . . . . . . . . . . 8 . 34709 1
4 3 1 . . 178.543 . . . . 1 1 78 LYS C . . . . . . . . . . 337 . 34709 1
5 1 1 . . 8.843 . . . . 1 1 46 TRP H . . . . . . . . . . 9 . 34709 1
5 2 1 . . 120.024 . . . . 1 1 46 TRP N . . . . . . . . . . 10 . 34709 1
5 3 1 . . 177.875 . . . . 1 1 46 TRP C . . . . . . . . . . 338 . 34709 1
6 1 1 . . 8.709 . . . . 1 1 62 TRP H . . . . . . . . . . 11 . 34709 1
6 2 1 . . 120.776 . . . . 1 1 62 TRP N . . . . . . . . . . 12 . 34709 1
6 3 1 . . 175.549 . . . . 1 1 62 TRP C . . . . . . . . . . 339 . 34709 1
7 1 1 . . 8.663 . . . . 1 1 41 MET H . . . . . . . . . . 13 . 34709 1
7 2 1 . . 118.875 . . . . 1 1 41 MET N . . . . . . . . . . 14 . 34709 1
7 3 1 . . 179.166 . . . . 1 1 41 MET C . . . . . . . . . . 341 . 34709 1
8 1 1 . . 8.641 . . . . 1 1 49 VAL H . . . . . . . . . . 15 . 34709 1
8 2 1 . . 117.598 . . . . 1 1 49 VAL N . . . . . . . . . . 16 . 34709 1
8 3 1 . . 176.789 . . . . 1 1 49 VAL C . . . . . . . . . . 343 . 34709 1
9 1 1 . . 9.021 . . . . 1 1 35 GLY H . . . . . . . . . . 17 . 34709 1
9 2 1 . . 108.411 . . . . 1 1 35 GLY N . . . . . . . . . . 18 . 34709 1
9 3 1 . . 175.716 . . . . 1 1 35 GLY C . . . . . . . . . . 345 . 34709 1
10 1 1 . . 8.669 . . . . 1 1 71 THR H . . . . . . . . . . 19 . 34709 1
10 2 1 . . 113.611 . . . . 1 1 71 THR N . . . . . . . . . . 20 . 34709 1
10 3 1 . . 171.979 . . . . 1 1 71 THR C . . . . . . . . . . 347 . 34709 1
11 1 1 . . 7.849 . . . . 1 1 51 GLY H . . . . . . . . . . 23 . 34709 1
11 2 1 . . 106.654 . . . . 1 1 51 GLY N . . . . . . . . . . 24 . 34709 1
11 3 1 . . 175.109 . . . . 1 1 51 GLY C . . . . . . . . . . 348 . 34709 1
12 1 1 . . 8.132 . . . . 1 1 52 THR H . . . . . . . . . . 25 . 34709 1
12 2 1 . . 110.999 . . . . 1 1 52 THR N . . . . . . . . . . 26 . 34709 1
12 3 1 . . 174.094 . . . . 1 1 52 THR C . . . . . . . . . . 349 . 34709 1
13 1 1 . . 7.808 . . . . 1 1 43 GLY H . . . . . . . . . . 27 . 34709 1
13 2 1 . . 109.379 . . . . 1 1 43 GLY N . . . . . . . . . . 28 . 34709 1
13 3 1 . . 176.266 . . . . 1 1 43 GLY C . . . . . . . . . . 351 . 34709 1
14 3 1 . . 175.282 . . . . 1 1 21 THR C . . . . . . . . . . 352 . 34709 1
15 1 1 . . 7.926 . . . . 1 1 47 HIS H . . . . . . . . . . 31 . 34709 1
15 2 1 . . 114.963 . . . . 1 1 47 HIS N . . . . . . . . . . 32 . 34709 1
15 3 1 . . 177.386 . . . . 1 1 47 HIS C . . . . . . . . . . 353 . 34709 1
16 1 1 . . 8.072 . . . . 1 1 74 LEU H . . . . . . . . . . 33 . 34709 1
16 2 1 . . 117.174 . . . . 1 1 74 LEU N . . . . . . . . . . 34 . 34709 1
16 3 1 . . 178.802 . . . . 1 1 74 LEU C . . . . . . . . . . 354 . 34709 1
17 1 1 . . 8.371 . . . . 1 1 79 ARG H . . . . . . . . . . 35 . 34709 1
17 2 1 . . 117.904 . . . . 1 1 79 ARG N . . . . . . . . . . 36 . 34709 1
17 3 1 . . 179.613 . . . . 1 1 79 ARG C . . . . . . . . . . 355 . 34709 1
18 1 1 . . 8.331 . . . . 1 1 54 ARG H . . . . . . . . . . 37 . 34709 1
18 2 1 . . 119.998 . . . . 1 1 54 ARG N . . . . . . . . . . 38 . 34709 1
18 3 1 . . 175.575 . . . . 1 1 54 ARG C . . . . . . . . . . 356 . 34709 1
19 1 1 . . 8.532 . . . . 1 1 59 LYS H . . . . . . . . . . 41 . 34709 1
19 2 1 . . 121.149 . . . . 1 1 59 LYS N . . . . . . . . . . 42 . 34709 1
19 3 1 . . 178.515 . . . . 1 1 59 LYS C . . . . . . . . . . 358 . 34709 1
20 1 1 . . 8.527 . . . . 1 1 40 ARG H . . . . . . . . . . 438 . 34709 1
20 2 1 . . 121.149 . . . . 1 1 40 ARG N . . . . . . . . . . 439 . 34709 1
20 3 1 . . 178.830 . . . . 1 1 40 ARG C . . . . . . . . . . 359 . 34709 1
21 1 1 . . 8.433 . . . . 1 1 29 ARG H . . . . . . . . . . 43 . 34709 1
21 2 1 . . 121.624 . . . . 1 1 29 ARG N . . . . . . . . . . 44 . 34709 1
21 3 1 . . 176.237 . . . . 1 1 29 ARG C . . . . . . . . . . 362 . 34709 1
22 1 1 . . 8.424 . . . . 1 1 31 GLN H . . . . . . . . . . 47 . 34709 1
22 2 1 . . 124.645 . . . . 1 1 31 GLN N . . . . . . . . . . 48 . 34709 1
22 3 1 . . 175.291 . . . . 1 1 31 GLN C . . . . . . . . . . 363 . 34709 1
23 1 1 . . 8.286 . . . . 1 1 53 ALA H . . . . . . . . . . 51 . 34709 1
23 2 1 . . 123.390 . . . . 1 1 53 ALA N . . . . . . . . . . 52 . 34709 1
23 3 1 . . 177.767 . . . . 1 1 53 ALA C . . . . . . . . . . 364 . 34709 1
24 3 1 . . 175.586 . . . . 1 1 30 VAL C . . . . . . . . . . 365 . 34709 1
25 1 1 . . 8.108 . . . . 1 1 93 LYS H . . . . . . . . . . 184 . 34709 1
25 2 1 . . 120.889 . . . . 1 1 93 LYS N . . . . . . . . . . 185 . 34709 1
25 3 1 . . 180.488 . . . . 1 1 93 LYS C . . . . . . . . . . 366 . 34709 1
26 1 1 . . 8.161 . . . . 1 1 50 ALA H . . . . . . . . . . 59 . 34709 1
26 2 1 . . 120.238 . . . . 1 1 50 ALA N . . . . . . . . . . 60 . 34709 1
26 3 1 . . 178.222 . . . . 1 1 50 ALA C . . . . . . . . . . 367 . 34709 1
27 1 1 . . 8.115 . . . . 1 1 61 PHE H . . . . . . . . . . 61 . 34709 1
27 2 1 . . 120.198 . . . . 1 1 61 PHE N . . . . . . . . . . 62 . 34709 1
27 3 1 . . 175.820 . . . . 1 1 61 PHE C . . . . . . . . . . 368 . 34709 1
28 1 1 . . 8.164 . . . . 1 1 85 MET H . . . . . . . . . . 63 . 34709 1
28 2 1 . . 118.901 . . . . 1 1 85 MET N . . . . . . . . . . 64 . 34709 1
28 3 1 . . 178.966 . . . . 1 1 85 MET C . . . . . . . . . . 370 . 34709 1
29 1 1 . . 8.136 . . . . 1 1 42 MET H . . . . . . . . . . 65 . 34709 1
29 2 1 . . 119.174 . . . . 1 1 42 MET N . . . . . . . . . . 66 . 34709 1
29 3 1 . . 179.066 . . . . 1 1 42 MET C . . . . . . . . . . 350 . 34709 1
30 1 1 . . 7.965 . . . . 1 1 38 LEU H . . . . . . . . . . 67 . 34709 1
30 2 1 . . 119.170 . . . . 1 1 38 LEU N . . . . . . . . . . 68 . 34709 1
30 3 1 . . 177.992 . . . . 1 1 38 LEU C . . . . . . . . . . 371 . 34709 1
31 1 1 . . 7.832 . . . . 1 1 57 VAL H . . . . . . . . . . 69 . 34709 1
31 2 1 . . 118.892 . . . . 1 1 57 VAL N . . . . . . . . . . 70 . 34709 1
31 3 1 . . 179.202 . . . . 1 1 57 VAL C . . . . . . . . . . 373 . 34709 1
32 1 1 . . 7.745 . . . . 1 1 37 VAL H . . . . . . . . . . 71 . 34709 1
32 2 1 . . 118.657 . . . . 1 1 37 VAL N . . . . . . . . . . 72 . 34709 1
32 3 1 . . 177.772 . . . . 1 1 37 VAL C . . . . . . . . . . 374 . 34709 1
33 1 1 . . 7.604 . . . . 1 1 86 VAL H . . . . . . . . . . 73 . 34709 1
33 2 1 . . 119.337 . . . . 1 1 86 VAL N . . . . . . . . . . 74 . 34709 1
33 3 1 . . 179.026 . . . . 1 1 86 VAL C . . . . . . . . . . 375 . 34709 1
34 1 1 . . 7.830 . . . . 1 1 60 ALA H . . . . . . . . . . 75 . 34709 1
34 2 1 . . 120.589 . . . . 1 1 60 ALA N . . . . . . . . . . 76 . 34709 1
34 3 1 . . 180.955 . . . . 1 1 60 ALA C . . . . . . . . . . 376 . 34709 1
35 1 1 . . 7.707 . . . . 1 1 73 ALA H . . . . . . . . . . 77 . 34709 1
35 2 1 . . 120.669 . . . . 1 1 73 ALA N . . . . . . . . . . 78 . 34709 1
35 3 1 . . 179.301 . . . . 1 1 73 ALA C . . . . . . . . . . 377 . 34709 1
36 1 1 . . 7.968 . . . . 1 1 65 VAL H . . . . . . . . . . 79 . 34709 1
36 2 1 . . 125.675 . . . . 1 1 65 VAL N . . . . . . . . . . 80 . 34709 1
36 3 1 . . 172.837 . . . . 1 1 65 VAL C . . . . . . . . . . 378 . 34709 1
37 1 1 . . 7.605 . . . . 1 1 72 ALA H . . . . . . . . . . 81 . 34709 1
37 2 1 . . 123.582 . . . . 1 1 72 ALA N . . . . . . . . . . 82 . 34709 1
37 3 1 . . 180.773 . . . . 1 1 72 ALA C . . . . . . . . . . 379 . 34709 1
38 1 1 . . 7.119 . . . . 1 1 36 LEU H . . . . . . . . . . 83 . 34709 1
38 2 1 . . 122.796 . . . . 1 1 36 LEU N . . . . . . . . . . 84 . 34709 1
38 3 1 . . 178.420 . . . . 1 1 36 LEU C . . . . . . . . . . 380 . 34709 1
39 1 1 . . 7.264 . . . . 1 1 91 ARG H . . . . . . . . . . 85 . 34709 1
39 2 1 . . 120.383 . . . . 1 1 91 ARG N . . . . . . . . . . 86 . 34709 1
39 3 1 . . 177.554 . . . . 1 1 91 ARG C . . . . . . . . . . 381 . 34709 1
40 1 1 . . 6.763 . . . . 1 1 55 ASN H . . . . . . . . . . 87 . 34709 1
40 2 1 . . 120.293 . . . . 1 1 55 ASN N . . . . . . . . . . 88 . 34709 1
40 3 1 . . 173.433 . . . . 1 1 55 ASN C . . . . . . . . . . 382 . 34709 1
41 1 1 . . 7.010 . . . . 1 1 69 GLN H . . . . . . . . . . 89 . 34709 1
41 2 1 . . 117.270 . . . . 1 1 69 GLN N . . . . . . . . . . 90 . 34709 1
41 3 1 . . 178.862 . . . . 1 1 69 GLN C . . . . . . . . . . 384 . 34709 1
42 1 1 . . 7.619 . . . . 1 1 90 LYS H . . . . . . . . . . 91 . 34709 1
42 2 1 . . 117.150 . . . . 1 1 90 LYS N . . . . . . . . . . 92 . 34709 1
42 3 1 . . 176.786 . . . . 1 1 90 LYS C . . . . . . . . . . 385 . 34709 1
43 1 1 . . 7.545 . . . . 1 1 89 GLN H . . . . . . . . . . 93 . 34709 1
43 2 1 . . 116.379 . . . . 1 1 89 GLN N . . . . . . . . . . 94 . 34709 1
43 3 1 . . 177.657 . . . . 1 1 89 GLN C . . . . . . . . . . 387 . 34709 1
44 1 1 . . 7.674 . . . . 1 1 75 ARG H . . . . . . . . . . 95 . 34709 1
44 2 1 . . 115.748 . . . . 1 1 75 ARG N . . . . . . . . . . 96 . 34709 1
44 3 1 . . 180.606 . . . . 1 1 75 ARG C . . . . . . . . . . 388 . 34709 1
45 1 1 . . 7.609 . . . . 1 1 64 SER H . . . . . . . . . . 97 . 34709 1
45 2 1 . . 111.754 . . . . 1 1 64 SER N . . . . . . . . . . 98 . 34709 1
45 3 1 . . 175.412 . . . . 1 1 64 SER C . . . . . . . . . . 389 . 34709 1
46 1 1 . . 7.555 . . . . 1 1 63 ASN H . . . . . . . . . . 99 . 34709 1
46 2 1 . . 110.433 . . . . 1 1 63 ASN N . . . . . . . . . . 100 . 34709 1
46 3 1 . . 176.110 . . . . 1 1 63 ASN C . . . . . . . . . . 390 . 34709 1
47 1 1 . . 8.412 . . . . 1 1 92 GLY H . . . . . . . . . . 21 . 34709 1
47 2 1 . . 108.284 . . . . 1 1 92 GLY N . . . . . . . . . . 22 . 34709 1
47 3 1 . . 174.005 . . . . 1 1 92 GLY C . . . . . . . . . . 391 . 34709 1
48 1 1 . . 8.435 . . . . 1 1 87 GLY H . . . . . . . . . . 175 . 34709 1
48 2 1 . . 108.284 . . . . 1 1 87 GLY N . . . . . . . . . . 176 . 34709 1
48 3 1 . . 177.654 . . . . 1 1 87 GLY C . . . . . . . . . . 392 . 34709 1
49 1 1 . . 8.421 . . . . 1 1 27 GLN H . . . . . . . . . . 161 . 34709 1
49 2 1 . . 123.378 . . . . 1 1 27 GLN N . . . . . . . . . . 162 . 34709 1
49 3 1 . . 175.340 . . . . 1 1 27 GLN C . . . . . . . . . . 440 . 34709 1
50 1 1 . . 8.444 . . . . 1 1 20 GLU H . . . . . . . . . . 165 . 34709 1
50 2 1 . . 123.378 . . . . 1 1 20 GLU N . . . . . . . . . . 166 . 34709 1
50 3 1 . . 179.194 . . . . 1 1 20 GLU C . . . . . . . . . . 442 . 34709 1
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