Content for NMR-STAR saveframe, "peak_list_1_2_3_4_5_6_7_8_9_10_11"
save_peak_list_1_2_3_4_5_6_7_8_9_10_11
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode peak_list_1_2_3_4_5_6_7_8_9_10_11
_Spectral_peak_list.Entry_ID 18226
_Spectral_peak_list.ID 11
_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.Experiment_ID 11
_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 .
_Spectral_peak_list.Assigned_chem_shift_list_label .
_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 . . 3491.31542969 . . . . . . . 18226 11
2 . . H 1 1H . . 5997.90087891 . . . . . . . 18226 11
3 . . N 15 15N . . 1519.55505371 . . . . . . . 18226 11
stop_
loop_
_Peak.ID
_Peak.Figure_of_merit
_Peak.Restraint
_Peak.Details
_Peak.Entry_ID
_Peak.Spectral_peak_list_ID
1 1.0 . . 18226 11
2 1.0 . . 18226 11
3 1.0 . . 18226 11
4 1.0 . . 18226 11
5 1.0 . . 18226 11
6 1.0 . . 18226 11
7 1.0 . . 18226 11
8 1.0 . . 18226 11
9 1.0 . . 18226 11
10 1.0 . . 18226 11
11 1.0 . . 18226 11
12 1.0 . . 18226 11
13 1.0 . . 18226 11
14 1.0 . . 18226 11
15 1.0 . . 18226 11
16 1.0 . . 18226 11
17 1.0 . . 18226 11
18 1.0 . . 18226 11
19 1.0 . . 18226 11
20 1.0 . . 18226 11
21 1.0 . . 18226 11
22 1.0 . . 18226 11
23 1.0 . . 18226 11
24 1.0 . . 18226 11
25 1.0 . . 18226 11
26 1.0 . . 18226 11
27 1.0 . . 18226 11
28 1.0 . . 18226 11
29 1.0 . . 18226 11
30 1.0 . . 18226 11
31 1.0 . . 18226 11
32 1.0 . . 18226 11
33 1.0 . . 18226 11
34 1.0 . . 18226 11
35 1.0 . . 18226 11
36 1.0 . . 18226 11
37 1.0 . . 18226 11
38 1.0 . . 18226 11
39 1.0 . . 18226 11
40 1.0 . . 18226 11
41 1.0 . . 18226 11
42 1.0 . . 18226 11
43 1.0 . . 18226 11
44 1.0 . . 18226 11
45 1.0 . . 18226 11
46 1.0 . . 18226 11
47 1.0 . . 18226 11
48 1.0 . . 18226 11
49 1.0 . . 18226 11
50 1.0 . . 18226 11
51 1.0 . . 18226 11
52 1.0 . . 18226 11
53 1.0 . . 18226 11
54 1.0 . . 18226 11
55 1.0 . . 18226 11
56 1.0 . . 18226 11
57 1.0 . . 18226 11
58 1.0 . . 18226 11
59 1.0 . . 18226 11
60 1.0 . . 18226 11
61 1.0 . . 18226 11
62 1.0 . . 18226 11
63 1.0 . . 18226 11
64 1.0 . . 18226 11
65 1.0 . . 18226 11
66 1.0 . . 18226 11
67 1.0 . . 18226 11
68 1.0 . . 18226 11
69 1.0 . . 18226 11
70 1.0 . . 18226 11
71 1.0 . . 18226 11
72 1.0 . . 18226 11
73 1.0 . . 18226 11
74 1.0 . . 18226 11
75 1.0 . . 18226 11
76 1.0 . . 18226 11
77 1.0 . . 18226 11
78 1.0 . . 18226 11
79 1.0 . . 18226 11
80 1.0 . . 18226 11
81 1.0 . . 18226 11
82 1.0 . . 18226 11
83 1.0 . . 18226 11
84 1.0 . . 18226 11
85 1.0 . . 18226 11
86 1.0 . . 18226 11
87 1.0 . . 18226 11
88 1.0 . . 18226 11
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 5568642.00000000 . height 18226 11
1 68975220.25000000 . volume 18226 11
2 4080386.50000000 . height 18226 11
2 52799016.37500000 . volume 18226 11
3 20968612.00000000 . height 18226 11
3 253282397.25000000 . volume 18226 11
4 1162372.75000000 . height 18226 11
4 15243465.73440000 . volume 18226 11
5 3036252.00000000 . height 18226 11
5 36915779.81250000 . volume 18226 11
6 9710656.00000000 . height 18226 11
6 110292409.37500000 . volume 18226 11
7 2137702.75000000 . height 18226 11
7 29548628.68750000 . volume 18226 11
8 2570422.75000000 . height 18226 11
8 35830443.50000000 . volume 18226 11
9 12945779.00000000 . height 18226 11
9 157038434.62500000 . volume 18226 11
10 4918471.50000000 . height 18226 11
10 62949872.62500000 . volume 18226 11
11 12255942.00000000 . height 18226 11
11 138565784.25000000 . volume 18226 11
12 2736591.75000000 . height 18226 11
12 31105442.43750000 . volume 18226 11
13 3781388.25000000 . height 18226 11
13 44978281.46880000 . volume 18226 11
14 12616756.00000000 . height 18226 11
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15 2473967.00000000 . height 18226 11
15 36080897.50000000 . volume 18226 11
16 11634338.00000000 . height 18226 11
16 150412260.87500000 . volume 18226 11
17 1426466.00000000 . height 18226 11
17 20395381.34380000 . volume 18226 11
18 1910567.12500000 . height 18226 11
18 25164048.90620000 . volume 18226 11
19 1215954.00000000 . height 18226 11
19 16734502.14060000 . volume 18226 11
20 317422.50000000 . height 18226 11
20 4487498.82422000 . volume 18226 11
21 331823.93750000 . height 18226 11
21 4750894.70117000 . volume 18226 11
22 1959210.50000000 . height 18226 11
22 27779251.28120000 . volume 18226 11
23 236441.21875000 . height 18226 11
23 3753070.85156000 . volume 18226 11
24 11468481.00000000 . height 18226 11
24 130740387.12500000 . volume 18226 11
25 3525971.00000000 . height 18226 11
25 42508290.75000000 . volume 18226 11
26 9030874.00000000 . height 18226 11
26 106573842.00000000 . volume 18226 11
27 745716.31250000 . height 18226 11
27 8486760.37500000 . volume 18226 11
28 302913.90625000 . height 18226 11
28 3844997.98047000 . volume 18226 11
29 1032988.00000000 . height 18226 11
29 14470458.48440000 . volume 18226 11
30 353480.96875000 . height 18226 11
30 5318606.18359000 . volume 18226 11
31 12084618.00000000 . height 18226 11
31 144951165.00000000 . volume 18226 11
32 4872543.00000000 . height 18226 11
32 61876615.68750000 . volume 18226 11
33 2435202.25000000 . height 18226 11
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34 6852943.00000000 . height 18226 11
34 79393305.62500000 . volume 18226 11
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36 424492.65625000 . height 18226 11
36 6085368.95312000 . volume 18226 11
37 4206728.50000000 . height 18226 11
37 61252934.75000000 . volume 18226 11
38 542013.00000000 . height 18226 11
38 8670111.65625000 . volume 18226 11
39 13465381.00000000 . height 18226 11
39 155035269.25000000 . volume 18226 11
40 4571005.00000000 . height 18226 11
40 63768636.62500000 . volume 18226 11
41 223506.45312500 . height 18226 11
41 3771062.33203000 . volume 18226 11
42 1131112.75000000 . height 18226 11
42 15165564.26560000 . volume 18226 11
43 2672628.75000000 . height 18226 11
43 39167789.31250000 . volume 18226 11
44 739629.50000000 . height 18226 11
44 10731503.84380000 . volume 18226 11
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46 5314760.00000000 . height 18226 11
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47 16507607.00000000 . height 18226 11
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48 957340.18750000 . height 18226 11
48 15837565.17190000 . volume 18226 11
49 5530067.00000000 . height 18226 11
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50 192281.56250000 . height 18226 11
50 1825044.00684000 . volume 18226 11
51 928562.00000000 . height 18226 11
51 14147669.87500000 . volume 18226 11
52 11979398.00000000 . height 18226 11
52 190064584.00000000 . volume 18226 11
53 5401352.00000000 . height 18226 11
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54 2621140.50000000 . height 18226 11
54 32172358.43750000 . volume 18226 11
55 15617227.00000000 . height 18226 11
55 213956606.00000000 . volume 18226 11
56 3637400.00000000 . height 18226 11
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57 3119687.25000000 . height 18226 11
57 44010067.12500000 . volume 18226 11
58 938922.87500000 . height 18226 11
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59 2753742.50000000 . height 18226 11
59 40889346.50000000 . volume 18226 11
60 8623064.00000000 . height 18226 11
60 107469501.12500000 . volume 18226 11
61 1542250.50000000 . height 18226 11
61 19119620.84380000 . volume 18226 11
62 1094666.25000000 . height 18226 11
62 16610786.82810000 . volume 18226 11
63 1373877.25000000 . height 18226 11
63 19634736.37500000 . volume 18226 11
64 192322.40625000 . height 18226 11
64 1959890.96875000 . volume 18226 11
65 265457.03125000 . height 18226 11
65 3801256.40820000 . volume 18226 11
66 429280.50000000 . height 18226 11
66 5121151.77734000 . volume 18226 11
67 2350154.50000000 . height 18226 11
67 35503899.25000000 . volume 18226 11
68 1018200.25000000 . height 18226 11
68 11314352.21480000 . volume 18226 11
69 355355.50000000 . height 18226 11
69 5782393.82812000 . volume 18226 11
70 271936.18750000 . height 18226 11
70 4387449.44141000 . volume 18226 11
71 990059.62500000 . height 18226 11
71 9730020.90625000 . volume 18226 11
72 6449794.00000000 . height 18226 11
72 88007622.18750000 . volume 18226 11
73 20224.53515620 . height 18226 11
73 221645.95263700 . volume 18226 11
74 122323.43750000 . height 18226 11
74 1868743.53516000 . volume 18226 11
75 810546.12500000 . height 18226 11
75 12235525.07420000 . volume 18226 11
76 824534.50000000 . height 18226 11
76 11741149.42380000 . volume 18226 11
77 13670262.00000000 . height 18226 11
77 174506479.00000000 . volume 18226 11
78 3454460.50000000 . height 18226 11
78 52338062.78120000 . volume 18226 11
79 5745342.00000000 . height 18226 11
79 96395683.37500000 . volume 18226 11
80 1522133.50000000 . height 18226 11
80 19820775.62500000 . volume 18226 11
81 2297990.00000000 . height 18226 11
81 40954637.96880000 . volume 18226 11
82 122764.28125000 . height 18226 11
82 1706490.74219000 . volume 18226 11
83 157924.51562500 . height 18226 11
83 2231955.70508000 . volume 18226 11
84 257891.59375000 . height 18226 11
84 4291685.31250000 . volume 18226 11
85 175343.98437500 . height 18226 11
85 2545589.43555000 . volume 18226 11
86 9813952.00000000 . height 18226 11
86 127428496.12500000 . volume 18226 11
87 70991.46093750 . height 18226 11
87 660711.81640600 . volume 18226 11
88 7785.14599609 . height 18226 11
88 -219198.38769500 . volume 18226 11
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 7.961 . 21.15613769550 . . . . . . . . . . . 18226 11
1 2 2.887 . 53.73695355120 . . . . . . . . . . . 18226 11
1 3 120.292 . 58.88650622300 . . . . . . . . . . . 18226 11
2 1 8.406 . 21.09818223100 . . . . . . . . . . . 18226 11
2 2 4.297 . 58.50067771210 . . . . . . . . . . . 18226 11
2 3 123.441 . 56.03360709720 . . . . . . . . . . . 18226 11
3 1 7.760 . 20.50624571780 . . . . . . . . . . . 18226 11
3 2 3.852 . 58.27402096770 . . . . . . . . . . . 18226 11
3 3 109.954 . 52.44901771360 . . . . . . . . . . . 18226 11
4 1 7.868 . 26.86407463340 . . . . . . . . . . . 18226 11
4 2 4.291 . 55.62278056420 . . . . . . . . . . . 18226 11
4 3 118.324 . 57.81222533560 . . . . . . . . . . . 18226 11
5 1 7.818 . 23.45937317730 . . . . . . . . . . . 18226 11
5 2 4.462 . 53.59681247270 . . . . . . . . . . . 18226 11
5 3 114.184 . 54.43971155250 . . . . . . . . . . . 18226 11
6 1 8.344 . 19.34807287050 . . . . . . . . . . . 18226 11
6 2 4.462 . 56.53691509920 . . . . . . . . . . . 18226 11
6 3 125.077 . 51.84920107270 . . . . . . . . . . . 18226 11
7 1 8.345 . 19.16224080650 . . . . . . . . . . . 18226 11
7 2 3.248 . 131.68149090000 . . . . . . . . . . . 18226 11
7 3 125.075 . 51.86437197310 . . . . . . . . . . . 18226 11
8 1 8.345 . 19.35452392760 . . . . . . . . . . . 18226 11
8 2 3.137 . 123.82572544300 . . . . . . . . . . . 18226 11
8 3 125.078 . 51.83624919960 . . . . . . . . . . . 18226 11
9 1 8.219 . 20.21241047200 . . . . . . . . . . . 18226 11
9 2 4.674 . 55.95722438800 . . . . . . . . . . . 18226 11
9 3 118.889 . 53.57320407000 . . . . . . . . . . . 18226 11
10 1 8.221 . 19.97434565540 . . . . . . . . . . . 18226 11
10 2 2.729 . 69.02019616860 . . . . . . . . . . . 18226 11
10 3 118.891 . 52.59954927370 . . . . . . . . . . . 18226 11
11 1 8.096 . 19.43557833860 . . . . . . . . . . . 18226 11
11 2 4.563 . 55.90842526250 . . . . . . . . . . . 18226 11
11 3 119.938 . 53.22314120600 . . . . . . . . . . . 18226 11
12 1 8.096 . 18.97359941110 . . . . . . . . . . . 18226 11
12 2 3.170 . 55.70786621900 . . . . . . . . . . . 18226 11
12 3 119.938 . 53.03434274810 . . . . . . . . . . . 18226 11
13 1 8.095 . 18.93218778650 . . . . . . . . . . . 18226 11
13 2 2.995 . 60.14662037900 . . . . . . . . . . . 18226 11
13 3 119.934 . 52.57735900160 . . . . . . . . . . . 18226 11
14 1 6.764 . 43.15611527890 . . . . . . . . . . . 18226 11
14 2 7.470 . 57.36364021160 . . . . . . . . . . . 18226 11
14 3 112.257 . 53.85189577310 . . . . . . . . . . . 18226 11
15 1 8.069 . 24.04267359790 . . . . . . . . . . . 18226 11
15 2 4.678 . 58.30673246950 . . . . . . . . . . . 18226 11
15 3 116.981 . 133.53639302600 . . . . . . . . . . . 18226 11
16 1 8.291 . 18.62191275010 . . . . . . . . . . . 18226 11
16 2 4.350 . 76.07229544050 . . . . . . . . . . . 18226 11
16 3 120.471 . 55.58626932610 . . . . . . . . . . . 18226 11
17 1 8.291 . 18.19416604490 . . . . . . . . . . . 18226 11
17 2 2.121 . 144.91123771400 . . . . . . . . . . . 18226 11
17 3 120.483 . 54.42675967940 . . . . . . . . . . . 18226 11
18 1 8.292 . 18.21299896970 . . . . . . . . . . . 18226 11
18 2 2.000 . 130.78773402200 . . . . . . . . . . . 18226 11
18 3 120.491 . 54.87423330930 . . . . . . . . . . . 18226 11
19 1 8.181 . 26.12886222310 . . . . . . . . . . . 18226 11
19 2 4.288 . 58.71374935180 . . . . . . . . . . . 18226 11
19 3 117.374 . 57.94586511720 . . . . . . . . . . . 18226 11
20 1 8.056 . 21.58149126660 . . . . . . . . . . . 18226 11
20 2 3.875 . 78.02747798730 . . . . . . . . . . . 18226 11
20 3 107.391 . 103.34317664700 . . . . . . . . . . . 18226 11
21 1 8.062 . 25.31644522630 . . . . . . . . . . . 18226 11
21 2 3.672 . 64.64936753140 . . . . . . . . . . . 18226 11
21 3 107.387 . 59.09767609810 . . . . . . . . . . . 18226 11
22 1 8.109 . 27.46152575990 . . . . . . . . . . . 18226 11
22 2 4.680 . 58.23737693570 . . . . . . . . . . . 18226 11
22 3 122.009 . 57.57515171430 . . . . . . . . . . . 18226 11
23 1 8.107 . 29.15940236770 . . . . . . . . . . . 18226 11
23 2 2.740 . 78.94232752780 . . . . . . . . . . . 18226 11
23 3 121.966 . 53.52415904000 . . . . . . . . . . . 18226 11
24 1 8.264 . 19.30083448470 . . . . . . . . . . . 18226 11
24 2 4.426 . 53.21642954530 . . . . . . . . . . . 18226 11
24 3 116.705 . 53.57302292490 . . . . . . . . . . . 18226 11
25 1 8.263 . 19.12093323120 . . . . . . . . . . . 18226 11
25 2 3.862 . 60.74293496810 . . . . . . . . . . . 18226 11
25 3 116.710 . 54.14634709800 . . . . . . . . . . . 18226 11
26 1 8.331 . 19.81847979200 . . . . . . . . . . . 18226 11
26 2 4.364 . 56.62378826780 . . . . . . . . . . . 18226 11
26 3 122.203 . 53.84573684040 . . . . . . . . . . . 18226 11
27 1 8.331 . 19.29188624420 . . . . . . . . . . . 18226 11
27 2 2.361 . 56.93910569440 . . . . . . . . . . . 18226 11
27 3 122.231 . 53.00060447720 . . . . . . . . . . . 18226 11
28 1 7.452 . 31.55961180450 . . . . . . . . . . . 18226 11
28 2 4.191 . 52.07635327150 . . . . . . . . . . . 18226 11
28 3 119.032 . 56.21991481030 . . . . . . . . . . . 18226 11
29 1 7.582 . 29.94788802370 . . . . . . . . . . . 18226 11
29 2 3.981 . 55.29816806600 . . . . . . . . . . . 18226 11
29 3 119.698 . 57.67124917830 . . . . . . . . . . . 18226 11
30 1 7.932 . 31.86197909350 . . . . . . . . . . . 18226 11
30 2 4.208 . 59.72369462420 . . . . . . . . . . . 18226 11
30 3 117.497 . 67.79907051090 . . . . . . . . . . . 18226 11
31 1 8.059 . 19.22310965160 . . . . . . . . . . . 18226 11
31 2 4.583 . 56.97986100810 . . . . . . . . . . . 18226 11
31 3 118.387 . 54.05591041760 . . . . . . . . . . . 18226 11
32 1 8.059 . 19.04164765850 . . . . . . . . . . . 18226 11
32 2 2.596 . 68.88541763140 . . . . . . . . . . . 18226 11
32 3 118.300 . 53.49354552180 . . . . . . . . . . . 18226 11
33 1 8.602 . 50.07955623270 . . . . . . . . . . . 18226 11
33 2 4.340 . 60.68823704720 . . . . . . . . . . . 18226 11
33 3 122.409 . 55.09627188910 . . . . . . . . . . . 18226 11
34 1 8.551 . 18.49185111510 . . . . . . . . . . . 18226 11
34 2 4.326 . 59.10843238920 . . . . . . . . . . . 18226 11
34 3 122.279 . 52.52224561150 . . . . . . . . . . . 18226 11
35 1 8.551 . 20.34101541670 . . . . . . . . . . . 18226 11
35 2 2.318 . 52.99084530930 . . . . . . . . . . . 18226 11
35 3 122.249 . 56.08052367250 . . . . . . . . . . . 18226 11
36 1 8.602 . 49.51779401890 . . . . . . . . . . . 18226 11
36 2 1.968 . 117.94516268800 . . . . . . . . . . . 18226 11
36 3 122.378 . 54.10178540870 . . . . . . . . . . . 18226 11
37 1 8.654 . 49.43361812870 . . . . . . . . . . . 18226 11
37 2 4.665 . 58.66566523180 . . . . . . . . . . . 18226 11
37 3 120.036 . 58.52285747810 . . . . . . . . . . . 18226 11
38 1 8.659 . 36.24474404480 . . . . . . . . . . . 18226 11
38 2 3.201 . 82.80049721970 . . . . . . . . . . . 18226 11
38 3 120.000 . 58.11242801680 . . . . . . . . . . . 18226 11
39 1 8.302 . 17.96171989090 . . . . . . . . . . . 18226 11
39 2 4.631 . 56.33724981270 . . . . . . . . . . . 18226 11
39 3 118.619 . 56.17236422720 . . . . . . . . . . . 18226 11
40 1 8.301 . 17.80314874550 . . . . . . . . . . . 18226 11
40 2 2.665 . 87.88490134840 . . . . . . . . . . . 18226 11
40 3 118.652 . 55.77443377630 . . . . . . . . . . . 18226 11
41 1 7.722 . 33.31471553170 . . . . . . . . . . . 18226 11
41 2 4.047 . 65.91063723790 . . . . . . . . . . . 18226 11
41 3 119.213 . 77.95261444460 . . . . . . . . . . . 18226 11
42 1 7.783 . 25.75886288390 . . . . . . . . . . . 18226 11
42 2 4.355 . 58.01483147310 . . . . . . . . . . . 18226 11
42 3 111.940 . 56.70429674990 . . . . . . . . . . . 18226 11
43 1 8.544 . 25.62921744610 . . . . . . . . . . . 18226 11
43 2 4.670 . 60.14215159460 . . . . . . . . . . . 18226 11
43 3 119.200 . 61.48969685820 . . . . . . . . . . . 18226 11
44 1 7.710 . 27.03658838610 . . . . . . . . . . . 18226 11
44 2 4.158 . 58.42131210130 . . . . . . . . . . . 18226 11
44 3 118.297 . 58.51130947940 . . . . . . . . . . . 18226 11
45 1 7.973 . 17.17313018560 . . . . . . . . . . . 18226 11
45 2 4.303 . 55.22309248830 . . . . . . . . . . . 18226 11
45 3 123.433 . 55.56222231700 . . . . . . . . . . . 18226 11
46 1 7.973 . 17.01830481530 . . . . . . . . . . . 18226 11
46 2 1.363 . 57.78638721500 . . . . . . . . . . . 18226 11
46 3 123.432 . 55.31849161400 . . . . . . . . . . . 18226 11
47 1 8.163 . 20.15601574710 . . . . . . . . . . . 18226 11
47 2 3.910 . 72.74394482600 . . . . . . . . . . . 18226 11
47 3 108.554 . 51.58314423890 . . . . . . . . . . . 18226 11
48 1 7.832 . 27.62925324440 . . . . . . . . . . . 18226 11
48 2 4.297 . 115.12160595800 . . . . . . . . . . . 18226 11
48 3 113.290 . 61.68678270350 . . . . . . . . . . . 18226 11
49 1 8.724 . 24.60495605830 . . . . . . . . . . . 18226 11
49 2 4.661 . 56.77429692610 . . . . . . . . . . . 18226 11
49 3 120.444 . 54.77890571180 . . . . . . . . . . . 18226 11
50 1 8.600 . 49.29648114080 . . . . . . . . . . . 18226 11
50 2 2.309 . 53.39768344020 . . . . . . . . . . . 18226 11
50 3 122.428 . 53.27929618030 . . . . . . . . . . . 18226 11
51 1 7.931 . 29.54396861010 . . . . . . . . . . . 18226 11
51 2 4.334 . 56.59769056700 . . . . . . . . . . . 18226 11
51 3 121.996 . 65.07215778720 . . . . . . . . . . . 18226 11
52 1 8.176 . 18.93718215330 . . . . . . . . . . . 18226 11
52 2 4.534 . 72.07326966460 . . . . . . . . . . . 18226 11
52 3 120.672 . 75.36581743900 . . . . . . . . . . . 18226 11
53 1 8.280 . 22.81957398240 . . . . . . . . . . . 18226 11
53 2 4.422 . 78.48722652540 . . . . . . . . . . . 18226 11
53 3 120.100 . 62.74865515300 . . . . . . . . . . . 18226 11
54 1 8.277 . 21.12783628380 . . . . . . . . . . . 18226 11
54 2 2.846 . 53.94752267170 . . . . . . . . . . . 18226 11
54 3 120.177 . 55.44583660410 . . . . . . . . . . . 18226 11
55 1 8.185 . 18.93000275100 . . . . . . . . . . . 18226 11
55 2 4.562 . 59.78018005890 . . . . . . . . . . . 18226 11
55 3 119.900 . 77.30742096170 . . . . . . . . . . . 18226 11
56 1 8.185 . 21.43103596730 . . . . . . . . . . . 18226 11
56 2 2.627 . 112.01240453000 . . . . . . . . . . . 18226 11
56 3 119.900 . 81.89510121690 . . . . . . . . . . . 18226 11
57 1 8.186 . 20.51332107080 . . . . . . . . . . . 18226 11
57 2 2.501 . 119.29294806000 . . . . . . . . . . . 18226 11
57 3 119.900 . 53.50061017990 . . . . . . . . . . . 18226 11
58 1 8.234 . 90.49917471140 . . . . . . . . . . . 18226 11
58 2 4.611 . 80.55645244980 . . . . . . . . . . . 18226 11
58 3 118.056 . 112.63057538800 . . . . . . . . . . . 18226 11
59 1 7.833 . 31.46784031480 . . . . . . . . . . . 18226 11
59 2 4.172 . 59.69044686830 . . . . . . . . . . . 18226 11
59 3 114.191 . 60.92470535870 . . . . . . . . . . . 18226 11
60 1 8.613 . 25.16619802560 . . . . . . . . . . . 18226 11
60 2 4.652 . 57.24673681190 . . . . . . . . . . . 18226 11
60 3 120.353 . 55.11243908730 . . . . . . . . . . . 18226 11
61 1 8.614 . 22.98137065630 . . . . . . . . . . . 18226 11
61 2 3.226 . 58.35231407030 . . . . . . . . . . . 18226 11
61 3 120.356 . 54.31648761290 . . . . . . . . . . . 18226 11
62 1 8.331 . 19.81494211550 . . . . . . . . . . . 18226 11
62 2 2.093 . 137.68288958600 . . . . . . . . . . . 18226 11
62 3 122.195 . 53.39328172090 . . . . . . . . . . . 18226 11
63 1 8.332 . 20.48814113820 . . . . . . . . . . . 18226 11
63 2 1.981 . 125.87636122500 . . . . . . . . . . . 18226 11
63 3 122.195 . 54.42060074670 . . . . . . . . . . . 18226 11
64 1 8.408 . 17.78598060970 . . . . . . . . . . . 18226 11
64 2 2.274 . 49.89236896390 . . . . . . . . . . . 18226 11
64 3 123.429 . 50.84864623230 . . . . . . . . . . . 18226 11
65 1 7.930 . 27.94618743650 . . . . . . . . . . . 18226 11
65 2 1.461 . 74.34877467650 . . . . . . . . . . . 18226 11
65 3 121.984 . 54.97042134590 . . . . . . . . . . . 18226 11
66 1 8.762 . 25.33090808010 . . . . . . . . . . . 18226 11
66 2 4.379 . 55.89055012490 . . . . . . . . . . . 18226 11
66 3 123.640 . 54.51398103460 . . . . . . . . . . . 18226 11
67 1 8.006 . 29.25908160480 . . . . . . . . . . . 18226 11
67 2 4.542 . 66.92237002410 . . . . . . . . . . . 18226 11
67 3 120.106 . 60.03233941630 . . . . . . . . . . . 18226 11
68 1 8.289 . 17.30579305330 . . . . . . . . . . . 18226 11
68 2 2.342 . 54.71794110070 . . . . . . . . . . . 18226 11
68 3 120.493 . 54.54332653730 . . . . . . . . . . . 18226 11
69 1 8.541 . 25.49124806370 . . . . . . . . . . . 18226 11
69 2 3.092 . 97.50923291580 . . . . . . . . . . . 18226 11
69 3 119.161 . 59.79503936360 . . . . . . . . . . . 18226 11
70 1 8.542 . 24.97870117260 . . . . . . . . . . . 18226 11
70 2 3.190 . 110.25384849600 . . . . . . . . . . . 18226 11
70 3 119.161 . 68.36071082650 . . . . . . . . . . . 18226 11
71 1 8.344 . 19.06994907030 . . . . . . . . . . . 18226 11
71 2 4.662 . 43.67253609700 . . . . . . . . . . . 18226 11
71 3 125.073 . 53.43227319900 . . . . . . . . . . . 18226 11
72 1 7.999 . 25.77322168840 . . . . . . . . . . . 18226 11
72 2 4.478 . 55.16195951780 . . . . . . . . . . . 18226 11
72 3 121.966 . 59.49791614880 . . . . . . . . . . . 18226 11
73 1 7.839 . 7.74043612019 . . . . . . . . . . . 18226 11
73 2 3.984 . 311.43673426800 . . . . . . . . . . . 18226 11
73 3 113.260 . 90.12963947640 . . . . . . . . . . . 18226 11
74 1 8.177 . 49.65295407000 . . . . . . . . . . . 18226 11
74 2 3.708 . 52.86071430780 . . . . . . . . . . . 18226 11
74 3 117.996 . 62.22528173520 . . . . . . . . . . . 18226 11
75 1 8.555 . 20.24383336310 . . . . . . . . . . . 18226 11
75 2 2.067 . 122.42824718900 . . . . . . . . . . . 18226 11
75 3 122.314 . 52.37642382340 . . . . . . . . . . . 18226 11
76 1 8.555 . 19.90494476690 . . . . . . . . . . . 18226 11
76 2 1.959 . 121.54414288500 . . . . . . . . . . . 18226 11
76 3 122.314 . 51.86917231760 . . . . . . . . . . . 18226 11
77 1 8.453 . 19.25546898640 . . . . . . . . . . . 18226 11
77 2 3.981 . 70.01727134200 . . . . . . . . . . . 18226 11
77 3 110.138 . 52.37972972110 . . . . . . . . . . . 18226 11
78 1 8.059 . 19.07390294400 . . . . . . . . . . . 18226 11
78 2 2.663 . 68.67520601360 . . . . . . . . . . . 18226 11
78 3 118.300 . 66.66673262590 . . . . . . . . . . . 18226 11
79 1 7.977 . 25.16515753250 . . . . . . . . . . . 18226 11
79 2 4.503 . 61.92662657760 . . . . . . . . . . . 18226 11
79 3 121.379 . 77.78550810980 . . . . . . . . . . . 18226 11
80 1 7.977 . 25.72057273860 . . . . . . . . . . . 18226 11
80 2 3.056 . 51.18688642630 . . . . . . . . . . . 18226 11
80 3 121.379 . 56.70896123570 . . . . . . . . . . . 18226 11
81 1 7.977 . 25.14830154460 . . . . . . . . . . . 18226 11
81 2 2.875 . 52.08600584570 . . . . . . . . . . . 18226 11
81 3 121.379 . 122.03417869700 . . . . . . . . . . . 18226 11
82 1 8.105 . 23.45146542990 . . . . . . . . . . . 18226 11
82 2 3.733 . 63.82961372270 . . . . . . . . . . . 18226 11
82 3 113.125 . 57.40632450120 . . . . . . . . . . . 18226 11
83 1 7.897 . 27.75536100570 . . . . . . . . . . . 18226 11
83 2 3.653 . 79.57117486730 . . . . . . . . . . . 18226 11
83 3 120.349 . 57.34518803730 . . . . . . . . . . . 18226 11
84 1 8.028 . 38.67387918920 . . . . . . . . . . . 18226 11
84 2 4.230 . 77.90163701880 . . . . . . . . . . . 18226 11
84 3 118.600 . 64.51364222420 . . . . . . . . . . . 18226 11
85 1 7.922 . 24.03351725880 . . . . . . . . . . . 18226 11
85 2 3.859 . 77.37825299090 . . . . . . . . . . . 18226 11
85 3 120.120 . 61.15367273780 . . . . . . . . . . . 18226 11
86 1 7.960 . 21.03689718860 . . . . . . . . . . . 18226 11
86 2 4.444 . 57.12572213060 . . . . . . . . . . . 18226 11
86 3 120.271 . 56.41392118930 . . . . . . . . . . . 18226 11
87 1 7.731 . 24.51047928660 . . . . . . . . . . . 18226 11
87 2 1.878 . 56.79217206370 . . . . . . . . . . . 18226 11
87 3 119.280 . 68.87249095920 . . . . . . . . . . . 18226 11
88 1 7.732 . 18.31954546100 . . . . . . . . . . . 18226 11
88 2 0.879 . 7.31522129680 . . . . . . . . . . . 18226 11
88 3 119.280 . 49.36099227600 . . . . . . . . . . . 18226 11
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 . . 7.961 . . 1 . 1 1 10 TYR H . . . . . . . . . . 72 . 18226 11
1 2 1 . . 2.887 . . 1 . 1 1 10 TYR HB3 . . . . . . . . . . 193 . 18226 11
1 3 1 . . 120.292 . . 1 . 1 1 10 TYR N . . . . . . . . . . 161 . 18226 11
2 1 1 . . 8.406 . . 1 . 1 1 20 GLU H . . . . . . . . . . 162 . 18226 11
2 2 1 . . 4.297 . . 1 . 1 1 20 GLU HA . . . . . . . . . . 209 . 18226 11
2 3 1 . . 123.441 . . 1 . 1 1 20 GLU N . . . . . . . . . . 163 . 18226 11
3 1 1 . . 7.760 . . 1 . 1 1 12 GLY H . . . . . . . . . . 164 . 18226 11
3 2 1 . . 3.852 . . 1 . 1 1 12 GLY HA3 . . . . . . . . . . 210 . 18226 11
3 3 1 . . 109.954 . . 1 . 1 1 12 GLY N . . . . . . . . . . 63 . 18226 11
4 1 1 . . 7.868 . . 1 . 1 1 57 LYS H . . . . . . . . . . 35 . 18226 11
4 2 1 . . 4.291 . . 1 . 1 1 57 LYS HA . . . . . . . . . . 211 . 18226 11
4 3 1 . . 118.324 . . 1 . 1 1 57 LYS N . . . . . . . . . . 36 . 18226 11
5 1 1 . . 7.818 . . 1 . 1 1 26 SER H . . . . . . . . . . 165 . 18226 11
5 2 1 . . 4.462 . . 1 . 1 1 26 SER HA . . . . . . . . . . 212 . 18226 11
5 3 1 . . 114.184 . . 1 . 1 1 26 SER N . . . . . . . . . . 15 . 18226 11
6 1 1 . . 8.344 . . 1 . 1 1 64 HIS H . . . . . . . . . . 170 . 18226 11
6 2 1 . . 4.462 . . 1 . 1 1 64 HIS HA . . . . . . . . . . 213 . 18226 11
6 3 1 . . 125.077 . . 1 . 1 1 64 HIS N . . . . . . . . . . 76 . 18226 11
7 1 1 . . 8.345 . . 1 . 1 1 64 HIS H . . . . . . . . . . 170 . 18226 11
7 2 1 . . 3.248 . . 1 . 1 1 64 HIS HB2 . . . . . . . . . . 214 . 18226 11
7 3 1 . . 125.075 . . 1 . 1 1 64 HIS N . . . . . . . . . . 76 . 18226 11
8 1 1 . . 8.345 . . 1 . 1 1 64 HIS H . . . . . . . . . . 170 . 18226 11
8 2 1 . . 3.137 . . 1 . 1 1 64 HIS HB3 . . . . . . . . . . 215 . 18226 11
8 3 1 . . 125.078 . . 1 . 1 1 64 HIS N . . . . . . . . . . 76 . 18226 11
9 1 1 . . 8.219 . . 1 . 1 1 15 ASN H . . . . . . . . . . 66 . 18226 11
9 2 1 . . 4.674 . . 1 . 1 1 15 ASN HA . . . . . . . . . . 216 . 18226 11
9 3 1 . . 118.889 . . 1 . 1 1 15 ASN N . . . . . . . . . . 67 . 18226 11
10 1 1 . . 8.221 . . 1 . 1 1 15 ASN H . . . . . . . . . . 66 . 18226 11
10 2 1 . . 2.729 . . 1 . 1 1 15 ASN HB3 . . . . . . . . . . 197 . 18226 11
10 3 1 . . 118.891 . . 1 . 1 1 15 ASN N . . . . . . . . . . 67 . 18226 11
11 1 1 . . 8.096 . . 1 . 1 1 7 PHE H . . . . . . . . . . 59 . 18226 11
11 2 1 . . 4.563 . . 1 . 1 1 7 PHE HA . . . . . . . . . . 217 . 18226 11
11 3 1 . . 119.938 . . 1 . 1 1 7 PHE N . . . . . . . . . . 60 . 18226 11
12 1 1 . . 8.096 . . 1 . 1 1 7 PHE H . . . . . . . . . . 59 . 18226 11
12 2 1 . . 3.170 . . 1 . 1 1 7 PHE HB3 . . . . . . . . . . 198 . 18226 11
12 3 1 . . 119.938 . . 1 . 1 1 7 PHE N . . . . . . . . . . 60 . 18226 11
13 1 1 . . 8.095 . . 1 . 1 1 7 PHE H . . . . . . . . . . 59 . 18226 11
13 2 1 . . 2.995 . . 1 . 1 1 7 PHE HB2 . . . . . . . . . . 199 . 18226 11
13 3 1 . . 119.934 . . 1 . 1 1 7 PHE N . . . . . . . . . . 60 . 18226 11
14 1 1 . . 6.764 . . 1 . 1 1 16 GLN HE22 . . . . . . . . . . 171 . 18226 11
14 2 1 . . 7.470 . . 1 . 1 1 16 GLN HE21 . . . . . . . . . . 218 . 18226 11
14 3 1 . . 112.257 . . 1 . 1 1 16 GLN NE2 . . . . . . . . . . 172 . 18226 11
15 1 1 . . 8.069 . . 1 . 1 1 59 HIS H . . . . . . . . . . 2 . 18226 11
15 2 1 . . 4.678 . . 1 . 1 1 59 HIS HA . . . . . . . . . . 219 . 18226 11
15 3 1 . . 116.981 . . 1 . 1 1 59 HIS N . . . . . . . . . . 3 . 18226 11
16 1 1 . . 8.291 . . 1 . 1 1 16 GLN H . . . . . . . . . . 173 . 18226 11
16 2 1 . . 4.350 . . 1 . 1 1 16 GLN HA . . . . . . . . . . 220 . 18226 11
16 3 1 . . 120.471 . . 1 . 1 1 16 GLN N . . . . . . . . . . 174 . 18226 11
17 1 1 . . 8.291 . . 1 . 1 1 16 GLN H . . . . . . . . . . 173 . 18226 11
17 2 1 . . 2.121 . . 1 . 1 1 16 GLN HB3 . . . . . . . . . . 200 . 18226 11
17 3 1 . . 120.483 . . 1 . 1 1 16 GLN N . . . . . . . . . . 174 . 18226 11
18 1 1 . . 8.292 . . 1 . 1 1 16 GLN H . . . . . . . . . . 173 . 18226 11
18 2 1 . . 2.000 . . 1 . 1 1 16 GLN HB2 . . . . . . . . . . 221 . 18226 11
18 3 1 . . 120.491 . . 1 . 1 1 16 GLN N . . . . . . . . . . 174 . 18226 11
19 1 1 . . 8.181 . . 1 . 1 1 27 SER H . . . . . . . . . . 175 . 18226 11
19 2 1 . . 4.288 . . 1 . 1 1 27 SER HA . . . . . . . . . . 223 . 18226 11
19 3 1 . . 117.374 . . 1 . 1 1 27 SER N . . . . . . . . . . 23 . 18226 11
20 1 1 . . 8.056 . . 1 . 1 1 58 GLY H . . . . . . . . . . 176 . 18226 11
20 2 1 . . 3.875 . . 1 . 1 1 58 GLY HA2 . . . . . . . . . . 224 . 18226 11
20 3 1 . . 107.391 . . 1 . 1 1 58 GLY N . . . . . . . . . . 4 . 18226 11
21 1 1 . . 8.062 . . 1 . 1 1 58 GLY H . . . . . . . . . . 176 . 18226 11
21 2 1 . . 3.672 . . 1 . 1 1 58 GLY HA3 . . . . . . . . . . 225 . 18226 11
21 3 1 . . 107.387 . . 1 . 1 1 58 GLY N . . . . . . . . . . 4 . 18226 11
22 1 1 . . 8.109 . . 1 . 1 1 23 ASP H . . . . . . . . . . 177 . 18226 11
22 2 1 . . 4.680 . . 1 . 1 1 23 ASP HA . . . . . . . . . . 246 . 18226 11
22 3 1 . . 122.009 . . 1 . 1 1 23 ASP N . . . . . . . . . . 178 . 18226 11
23 1 1 . . 8.107 . . 1 . 1 1 23 ASP H . . . . . . . . . . 177 . 18226 11
23 2 1 . . 2.740 . . 1 . 1 1 23 ASP HB2 . . . . . . . . . . 201 . 18226 11
23 3 1 . . 121.966 . . 1 . 1 1 23 ASP N . . . . . . . . . . 178 . 18226 11
24 1 1 . . 8.264 . . 1 . 1 1 17 SER H . . . . . . . . . . 179 . 18226 11
24 2 1 . . 4.426 . . 1 . 1 1 17 SER HA . . . . . . . . . . 226 . 18226 11
24 3 1 . . 116.705 . . 1 . 1 1 17 SER N . . . . . . . . . . 180 . 18226 11
25 1 1 . . 8.263 . . 1 . 1 1 17 SER H . . . . . . . . . . 179 . 18226 11
25 2 1 . . 3.862 . . 1 . 1 1 17 SER HB2 . . . . . . . . . . 202 . 18226 11
25 3 1 . . 116.710 . . 1 . 1 1 17 SER N . . . . . . . . . . 180 . 18226 11
26 1 1 . . 8.331 . . 1 . 1 1 18 GLU H . . . . . . . . . . 7 . 18226 11
26 2 1 . . 4.364 . . 1 . 1 1 18 GLU HA . . . . . . . . . . 247 . 18226 11
26 3 1 . . 122.203 . . 1 . 1 1 18 GLU N . . . . . . . . . . 8 . 18226 11
27 1 1 . . 8.331 . . 1 . 1 1 18 GLU H . . . . . . . . . . 7 . 18226 11
27 2 1 . . 2.361 . . 1 . 1 1 18 GLU HG3 . . . . . . . . . . 227 . 18226 11
27 3 1 . . 122.231 . . 1 . 1 1 18 GLU N . . . . . . . . . . 8 . 18226 11
28 1 1 . . 7.452 . . 1 . 1 1 33 ALA H . . . . . . . . . . 284 . 18226 11
28 2 1 . . 4.191 . . 1 . 1 1 33 ALA HA . . . . . . . . . . 229 . 18226 11
28 3 1 . . 119.032 . . 1 . 1 1 33 ALA N . . . . . . . . . . 285 . 18226 11
29 1 1 . . 7.582 . . 1 . 1 1 25 LYS H . . . . . . . . . . 11 . 18226 11
29 2 1 . . 3.981 . . 1 . 1 1 25 LYS HA . . . . . . . . . . 230 . 18226 11
29 3 1 . . 119.698 . . 1 . 1 1 25 LYS N . . . . . . . . . . 12 . 18226 11
30 1 1 . . 7.932 . . 1 . 1 1 30 LEU H . . . . . . . . . . 9 . 18226 11
30 2 1 . . 4.208 . . 1 . 1 1 30 LEU HA . . . . . . . . . . 401 . 18226 11
30 3 1 . . 117.497 . . 1 . 1 1 30 LEU N . . . . . . . . . . 10 . 18226 11
31 1 1 . . 8.059 . . 1 . 1 1 9 ASN H . . . . . . . . . . 68 . 18226 11
31 2 1 . . 4.583 . . 1 . 1 1 9 ASN HA . . . . . . . . . . 231 . 18226 11
31 3 1 . . 118.387 . . 1 . 1 1 9 ASN N . . . . . . . . . . 69 . 18226 11
32 1 1 . . 8.059 . . 1 . 1 1 9 ASN H . . . . . . . . . . 68 . 18226 11
32 2 1 . . 2.596 . . 1 . 1 1 9 ASN HB3 . . . . . . . . . . 232 . 18226 11
32 3 1 . . 118.300 . . 1 . 1 1 9 ASN N . . . . . . . . . . 69 . 18226 11
33 1 2 . . 8.602 . . 1 . . . . . . . . . . . . . . . . 78 . 18226 11
33 2 2 . . 4.340 . . 1 . . . . . . . . . . . . . . . . 248 . 18226 11
33 3 2 . . 122.409 . . 1 . . . . . . . . . . . . . . . . 79 . 18226 11
34 1 1 . . 8.551 . . 1 . 1 1 3 GLU H . . . . . . . . . . 61 . 18226 11
34 2 1 . . 4.326 . . 1 . 1 1 3 GLU HA . . . . . . . . . . 233 . 18226 11
34 3 1 . . 122.279 . . 1 . 1 1 3 GLU N . . . . . . . . . . 62 . 18226 11
35 1 1 . . 8.551 . . 1 . 1 1 3 GLU H . . . . . . . . . . 61 . 18226 11
35 2 1 . . 2.318 . . 1 . 1 1 3 GLU HG3 . . . . . . . . . . 234 . 18226 11
35 3 1 . . 122.249 . . 1 . 1 1 3 GLU N . . . . . . . . . . 62 . 18226 11
36 1 2 . . 8.602 . . 1 . . . . . . . . . . . . . . . . 78 . 18226 11
36 2 2 . . 1.968 . . 1 . . . . . . . . . . . . . . . . 205 . 18226 11
36 3 2 . . 122.378 . . 1 . . . . . . . . . . . . . . . . 79 . 18226 11
37 1 1 . . 8.654 . . 1 . 1 1 61 HIS H . . . . . . . . . . 37 . 18226 11
37 2 1 . . 4.665 . . 1 . 1 1 61 HIS HA . . . . . . . . . . 235 . 18226 11
37 3 1 . . 120.036 . . 1 . 1 1 61 HIS N . . . . . . . . . . 38 . 18226 11
38 1 1 . . 8.659 . . 1 . 1 1 61 HIS H . . . . . . . . . . 37 . 18226 11
38 2 1 . . 3.201 . . 1 . 1 1 61 HIS HB2 . . . . . . . . . . 203 . 18226 11
38 3 1 . . 120.000 . . 1 . 1 1 61 HIS N . . . . . . . . . . 38 . 18226 11
39 1 1 . . 8.302 . . 1 . 1 1 14 ASP H . . . . . . . . . . 1 . 18226 11
39 2 1 . . 4.631 . . 1 . 1 1 14 ASP HA . . . . . . . . . . 236 . 18226 11
39 3 1 . . 118.619 . . 1 . 1 1 14 ASP N . . . . . . . . . . 186 . 18226 11
40 1 1 . . 8.301 . . 1 . 1 1 14 ASP H . . . . . . . . . . 1 . 18226 11
40 2 1 . . 2.665 . . 1 . 1 1 14 ASP HB3 . . . . . . . . . . 237 . 18226 11
40 3 1 . . 118.652 . . 1 . 1 1 14 ASP N . . . . . . . . . . 186 . 18226 11
41 1 1 . . 7.722 . . 1 . 1 1 50 LEU H . . . . . . . . . . 187 . 18226 11
41 2 1 . . 4.047 . . 1 . 1 1 50 LEU HA . . . . . . . . . . 238 . 18226 11
41 3 1 . . 119.213 . . 1 . 1 1 50 LEU N . . . . . . . . . . 22 . 18226 11
42 1 1 . . 7.783 . . 1 . 1 1 43 THR H . . . . . . . . . . 51 . 18226 11
42 2 1 . . 4.355 . . 1 . 1 1 43 THR HA . . . . . . . . . . 239 . 18226 11
42 3 1 . . 111.940 . . 1 . 1 1 43 THR N . . . . . . . . . . 188 . 18226 11
43 1 1 . . 8.544 . . 1 . 1 1 60 HIS H . . . . . . . . . . 53 . 18226 11
43 2 1 . . 4.670 . . 1 . 1 1 60 HIS HA . . . . . . . . . . 240 . 18226 11
43 3 1 . . 119.200 . . 1 . 1 1 60 HIS N . . . . . . . . . . 54 . 18226 11
44 1 1 . . 7.710 . . 1 . 1 1 56 LYS H . . . . . . . . . . 189 . 18226 11
44 2 1 . . 4.158 . . 1 . 1 1 56 LYS HA . . . . . . . . . . 242 . 18226 11
44 3 1 . . 118.297 . . 1 . 1 1 56 LYS N . . . . . . . . . . 28 . 18226 11
45 1 1 . . 7.973 . . 1 . 1 1 13 ALA H . . . . . . . . . . 33 . 18226 11
45 2 1 . . 4.303 . . 1 . 1 1 13 ALA HA . . . . . . . . . . 376 . 18226 11
45 3 1 . . 123.433 . . 1 . 1 1 13 ALA N . . . . . . . . . . 34 . 18226 11
46 1 1 . . 7.973 . . 1 . 1 1 13 ALA H . . . . . . . . . . 33 . 18226 11
46 2 1 . . 1.363 . . 1 . 1 1 13 ALA MB . . . . . . . . . . 243 . 18226 11
46 3 1 . . 123.432 . . 1 . 1 1 13 ALA N . . . . . . . . . . 34 . 18226 11
47 1 1 . . 8.163 . . 1 . 1 1 5 GLY H . . . . . . . . . . 191 . 18226 11
47 2 2 . . 3.910 . . 1 . 1 1 5 GLY HA3 . . . . . . . . . . 258 . 18226 11
47 3 1 . . 108.554 . . 1 . 1 1 5 GLY N . . . . . . . . . . 192 . 18226 11
48 1 1 . . 7.832 . . 1 . 1 1 44 THR H . . . . . . . . . . 20 . 18226 11
48 2 1 . . 4.297 . . 1 . 1 1 44 THR HA . . . . . . . . . . 244 . 18226 11
48 3 1 . . 113.290 . . 1 . 1 1 44 THR N . . . . . . . . . . 21 . 18226 11
49 1 1 . . 8.724 . . 1 . 1 1 62 HIS H . . . . . . . . . . 55 . 18226 11
49 2 1 . . 4.661 . . 1 . 1 1 62 HIS HA . . . . . . . . . . 245 . 18226 11
49 3 1 . . 120.444 . . 1 . 1 1 62 HIS N . . . . . . . . . . 56 . 18226 11
50 1 1 . . 8.600 . . 1 . . . . . . . . . . . . . . . . 78 . 18226 11
50 2 1 . . 2.309 . . 1 . . . . . . . . . . . . . . . . 249 . 18226 11
50 3 1 . . 122.428 . . 1 . . . . . . . . . . . . . . . . 79 . 18226 11
51 1 2 . . 7.931 . . 1 . 1 1 29 ALA H . . . . . . . . . . 379 . 18226 11
51 2 2 . . 4.334 . . 1 . 1 1 29 ALA HA . . . . . . . . . . 261 . 18226 11
51 3 2 . . 121.996 . . 1 . 1 1 29 ALA N . . . . . . . . . . 260 . 18226 11
52 1 1 . . 8.176 . . 1 . 1 1 8 ASP H . . . . . . . . . . 31 . 18226 11
52 2 1 . . 4.534 . . 1 . 1 1 8 ASP HA . . . . . . . . . . 195 . 18226 11
52 3 1 . . 120.672 . . 1 . 1 1 8 ASP N . . . . . . . . . . 32 . 18226 11
53 1 1 . . 8.280 . . 1 . 1 1 19 CYS H . . . . . . . . . . 181 . 18226 11
53 2 1 . . 4.422 . . 1 . 1 1 19 CYS HA . . . . . . . . . . 388 . 18226 11
53 3 1 . . 120.100 . . 1 . 1 1 19 CYS N . . . . . . . . . . 182 . 18226 11
54 1 1 . . 8.277 . . 1 . 1 1 19 CYS H . . . . . . . . . . 181 . 18226 11
54 2 1 . . 2.846 . . 1 . 1 1 19 CYS HB2 . . . . . . . . . . 389 . 18226 11
54 3 1 . . 120.177 . . 1 . 1 1 19 CYS N . . . . . . . . . . 182 . 18226 11
55 1 2 . . 8.185 . . 1 . 1 1 6 ASP H . . . . . . . . . . 47 . 18226 11
55 2 1 . . 4.562 . . 1 . 1 1 6 ASP HA . . . . . . . . . . 255 . 18226 11
55 3 1 . . 119.900 . . 1 . 1 1 6 ASP N . . . . . . . . . . 190 . 18226 11
56 1 1 . . 8.185 . . 1 . 1 1 6 ASP H . . . . . . . . . . 47 . 18226 11
56 2 1 . . 2.627 . . 1 . 1 1 6 ASP HB2 . . . . . . . . . . 250 . 18226 11
56 3 1 . . 119.900 . . 1 . 1 1 6 ASP N . . . . . . . . . . 190 . 18226 11
57 1 1 . . 8.186 . . 1 . 1 1 6 ASP H . . . . . . . . . . 47 . 18226 11
57 2 1 . . 2.501 . . 1 . 1 1 6 ASP HB3 . . . . . . . . . . 206 . 18226 11
57 3 1 . . 119.900 . . 1 . 1 1 6 ASP N . . . . . . . . . . 190 . 18226 11
58 1 1 . . 8.234 . . 1 . 1 1 46 ASN H . . . . . . . . . . 49 . 18226 11
58 2 1 . . 4.611 . . 1 . 1 1 46 ASN HA . . . . . . . . . . 251 . 18226 11
58 3 1 . . 118.056 . . 1 . 1 1 46 ASN N . . . . . . . . . . 50 . 18226 11
59 1 1 . . 7.833 . . 1 . 1 1 22 THR H . . . . . . . . . . 5 . 18226 11
59 2 1 . . 4.172 . . 1 . 1 1 22 THR HA . . . . . . . . . . 479 . 18226 11
59 3 1 . . 114.191 . . 1 . 1 1 22 THR N . . . . . . . . . . 6 . 18226 11
60 1 1 . . 8.613 . . 1 . 1 1 63 HIS H . . . . . . . . . . 80 . 18226 11
60 2 1 . . 4.652 . . 1 . 1 1 63 HIS HA . . . . . . . . . . 253 . 18226 11
60 3 1 . . 120.353 . . 1 . 1 1 63 HIS N . . . . . . . . . . 81 . 18226 11
61 1 1 . . 8.614 . . 1 . 1 1 63 HIS H . . . . . . . . . . 80 . 18226 11
61 2 1 . . 3.226 . . 1 . 1 1 63 HIS HB3 . . . . . . . . . . 254 . 18226 11
61 3 1 . . 120.356 . . 1 . 1 1 63 HIS N . . . . . . . . . . 81 . 18226 11
62 1 1 . . 8.331 . . 1 . 1 1 18 GLU H . . . . . . . . . . 7 . 18226 11
62 2 1 . . 2.093 . . 1 . 1 1 18 GLU HB2 . . . . . . . . . . 256 . 18226 11
62 3 1 . . 122.195 . . 1 . 1 1 18 GLU N . . . . . . . . . . 8 . 18226 11
63 1 1 . . 8.332 . . 1 . 1 1 18 GLU H . . . . . . . . . . 7 . 18226 11
63 2 1 . . 1.981 . . 1 . 1 1 18 GLU HB3 . . . . . . . . . . 257 . 18226 11
63 3 1 . . 122.195 . . 1 . 1 1 18 GLU N . . . . . . . . . . 8 . 18226 11
64 1 1 . . 8.408 . . 1 . 1 1 20 GLU H . . . . . . . . . . 162 . 18226 11
64 2 1 . . 2.274 . . 1 . 1 1 20 GLU HG3 . . . . . . . . . . 386 . 18226 11
64 3 1 . . 123.429 . . 1 . 1 1 20 GLU N . . . . . . . . . . 163 . 18226 11
65 1 2 . . 7.930 . . 1 . 1 1 29 ALA H . . . . . . . . . . 379 . 18226 11
65 2 2 . . 1.461 . . 1 . 1 1 29 ALA MB . . . . . . . . . . 262 . 18226 11
65 3 2 . . 121.984 . . 1 . 1 1 29 ALA N . . . . . . . . . . 260 . 18226 11
66 1 1 . . 8.762 . . 1 . 1 1 2 GLU H . . . . . . . . . . 64 . 18226 11
66 2 1 . . 4.379 . . 1 . 1 1 2 GLU HA . . . . . . . . . . 264 . 18226 11
66 3 1 . . 123.640 . . 1 . 1 1 2 GLU N . . . . . . . . . . 65 . 18226 11
67 1 1 . . 8.006 . . 1 . 1 1 21 TYR H . . . . . . . . . . 265 . 18226 11
67 2 1 . . 4.542 . . 1 . 1 1 21 TYR HA . . . . . . . . . . 267 . 18226 11
67 3 1 . . 120.106 . . 1 . 1 1 21 TYR N . . . . . . . . . . 266 . 18226 11
68 1 1 . . 8.289 . . 1 . 1 1 16 GLN H . . . . . . . . . . 173 . 18226 11
68 2 2 . . 2.342 . . 1 . 1 1 16 GLN HG2 . . . . . . . . . . 471 . 18226 11
68 3 1 . . 120.493 . . 1 . 1 1 16 GLN N . . . . . . . . . . 174 . 18226 11
69 1 1 . . 8.541 . . 1 . 1 1 60 HIS H . . . . . . . . . . 53 . 18226 11
69 2 1 . . 3.092 . . 1 . 1 1 60 HIS HB2 . . . . . . . . . . 241 . 18226 11
69 3 1 . . 119.161 . . 1 . 1 1 60 HIS N . . . . . . . . . . 54 . 18226 11
70 1 1 . . 8.542 . . 1 . 1 1 60 HIS H . . . . . . . . . . 53 . 18226 11
70 2 1 . . 3.190 . . 1 . 1 1 60 HIS HB3 . . . . . . . . . . 271 . 18226 11
70 3 1 . . 119.161 . . 1 . 1 1 60 HIS N . . . . . . . . . . 54 . 18226 11
71 1 1 . . 8.344 . . 1 . 1 1 64 HIS H . . . . . . . . . . 170 . 18226 11
71 2 1 . . 4.662 . . 1 . 1 1 63 HIS HA . . . . . . . . . . 253 . 18226 11
71 3 1 . . 125.073 . . 1 . 1 1 64 HIS N . . . . . . . . . . 76 . 18226 11
72 1 1 . . 7.999 . . 1 . 1 1 24 TRP H . . . . . . . . . . 77 . 18226 11
72 2 1 . . 4.478 . . 1 . 1 1 24 TRP HA . . . . . . . . . . 274 . 18226 11
72 3 2 . . 121.966 . . 1 . 1 1 24 TRP N . . . . . . . . . . 183 . 18226 11
73 1 1 . . 7.839 . . 1 . 1 1 44 THR H . . . . . . . . . . 20 . 18226 11
73 2 3 . . 3.984 . . 1 . 1 1 45 GLY HA3 . . . . . . . . . . 252 . 18226 11
73 3 1 . . 113.260 . . 1 . 1 1 44 THR N . . . . . . . . . . 21 . 18226 11
74 1 1 . . 8.177 . . 1 . 1 1 34 ILE H . . . . . . . . . . 323 . 18226 11
74 2 1 . . 3.708 . . 1 . 1 1 34 ILE HA . . . . . . . . . . 359 . 18226 11
74 3 1 . . 117.996 . . 1 . 1 1 34 ILE N . . . . . . . . . . 324 . 18226 11
75 1 1 . . 8.555 . . 1 . 1 1 3 GLU H . . . . . . . . . . 61 . 18226 11
75 2 1 . . 2.067 . . 1 . 1 1 3 GLU HB3 . . . . . . . . . . 424 . 18226 11
75 3 1 . . 122.314 . . 1 . 1 1 3 GLU N . . . . . . . . . . 62 . 18226 11
76 1 1 . . 8.555 . . 1 . 1 1 3 GLU H . . . . . . . . . . 61 . 18226 11
76 2 1 . . 1.959 . . 1 . 1 1 3 GLU HB2 . . . . . . . . . . 425 . 18226 11
76 3 1 . . 122.314 . . 1 . 1 1 3 GLU N . . . . . . . . . . 62 . 18226 11
77 1 1 . . 8.453 . . 1 . 1 1 4 GLY H . . . . . . . . . . 70 . 18226 11
77 2 1 . . 3.981 . . 1 . 1 1 4 GLY HA3 . . . . . . . . . . 196 . 18226 11
77 3 1 . . 110.138 . . 1 . 1 1 4 GLY N . . . . . . . . . . 71 . 18226 11
78 1 1 . . 8.059 . . 1 . 1 1 9 ASN H . . . . . . . . . . 68 . 18226 11
78 2 2 . . 2.663 . . 1 . 1 1 9 ASN HB2 . . . . . . . . . . 432 . 18226 11
78 3 1 . . 118.300 . . 1 . 1 1 9 ASN N . . . . . . . . . . 69 . 18226 11
79 1 1 . . 7.977 . . 1 . 1 1 11 TYR H . . . . . . . . . . 45 . 18226 11
79 2 1 . . 4.503 . . 1 . 1 1 11 TYR HA . . . . . . . . . . 434 . 18226 11
79 3 1 . . 121.379 . . 1 . 1 1 11 TYR N . . . . . . . . . . 46 . 18226 11
80 1 2 . . 7.977 . . 1 . 1 1 11 TYR H . . . . . . . . . . 45 . 18226 11
80 2 1 . . 3.056 . . 1 . 1 1 11 TYR HB2 . . . . . . . . . . 435 . 18226 11
80 3 1 . . 121.379 . . 1 . 1 1 11 TYR N . . . . . . . . . . 46 . 18226 11
81 1 2 . . 7.977 . . 1 . 1 1 11 TYR H . . . . . . . . . . 45 . 18226 11
81 2 1 . . 2.875 . . 1 . 1 1 11 TYR HB3 . . . . . . . . . . 436 . 18226 11
81 3 1 . . 121.379 . . 1 . 1 1 11 TYR N . . . . . . . . . . 46 . 18226 11
82 1 1 . . 8.105 . . 1 . 1 1 52 THR H . . . . . . . . . . 13 . 18226 11
82 2 1 . . 3.733 . . 1 . 1 1 52 THR HA . . . . . . . . . . 460 . 18226 11
82 3 1 . . 113.125 . . 1 . 1 1 52 THR N . . . . . . . . . . 14 . 18226 11
83 1 1 . . 7.897 . . 1 . 1 1 53 VAL H . . . . . . . . . . 457 . 18226 11
83 2 1 . . 3.653 . . 1 . 1 1 53 VAL HA . . . . . . . . . . 462 . 18226 11
83 3 1 . . 120.349 . . 1 . 1 1 53 VAL N . . . . . . . . . . 458 . 18226 11
84 1 1 . . 8.028 . . 1 . 1 1 54 PHE H . . . . . . . . . . 29 . 18226 11
84 2 1 . . 4.230 . . 1 . 1 1 54 PHE HA . . . . . . . . . . 544 . 18226 11
84 3 2 . . 118.600 . . 1 . 1 1 54 PHE N . . . . . . . . . . 30 . 18226 11
85 1 1 . . 7.922 . . 1 . 1 1 49 VAL H . . . . . . . . . . 357 . 18226 11
85 2 1 . . 3.859 . . 1 . 1 1 49 VAL HA . . . . . . . . . . 350 . 18226 11
85 3 1 . . 120.120 . . 1 . 1 1 49 VAL N . . . . . . . . . . 280 . 18226 11
86 1 1 . . 7.960 . . 1 . 1 1 10 TYR H . . . . . . . . . . 72 . 18226 11
86 2 1 . . 4.444 . . 1 . 1 1 10 TYR HA . . . . . . . . . . 208 . 18226 11
86 3 1 . . 120.271 . . 1 . 1 1 10 TYR N . . . . . . . . . . 161 . 18226 11
87 1 1 . . 7.731 . . 1 . 1 1 50 LEU H . . . . . . . . . . 187 . 18226 11
87 2 1 . . 1.878 . . 1 . 1 1 50 LEU HB2 . . . . . . . . . . 639 . 18226 11
87 3 1 . . 119.280 . . 1 . 1 1 50 LEU N . . . . . . . . . . 22 . 18226 11
88 1 1 . . 7.732 . . 1 . 1 1 50 LEU H . . . . . . . . . . 187 . 18226 11
88 2 1 . . 0.879 . . 1 . 1 1 50 LEU MD2 . . . . . . . . . . 493 . 18226 11
88 3 1 . . 119.280 . . 1 . 1 1 50 LEU N . . . . . . . . . . 22 . 18226 11
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