Content for NMR-STAR saveframe, "peak_list_1_2_3"
save_peak_list_1_2_3
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode peak_list_1_2_3
_Spectral_peak_list.Entry_ID 18226
_Spectral_peak_list.ID 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.Experiment_ID 3
_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 .
_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 . . 5630.63037109 . . . . . . . 18226 3
2 . . N 15 15N . . 1490.09094238 . . . . . . . 18226 3
stop_
loop_
_Peak.ID
_Peak.Figure_of_merit
_Peak.Restraint
_Peak.Details
_Peak.Entry_ID
_Peak.Spectral_peak_list_ID
1 1.0 . . 18226 3
2 1.0 . . 18226 3
3 1.0 . . 18226 3
4 1.0 . . 18226 3
5 1.0 . . 18226 3
6 1.0 . . 18226 3
7 1.0 . . 18226 3
8 1.0 . . 18226 3
9 1.0 . . 18226 3
10 1.0 . . 18226 3
11 1.0 . . 18226 3
12 1.0 . . 18226 3
13 1.0 . . 18226 3
14 1.0 . . 18226 3
15 1.0 . . 18226 3
16 1.0 . . 18226 3
17 1.0 . . 18226 3
18 1.0 . . 18226 3
19 1.0 . . 18226 3
20 1.0 . . 18226 3
21 1.0 . . 18226 3
22 1.0 . . 18226 3
23 1.0 . . 18226 3
24 1.0 . . 18226 3
25 1.0 . . 18226 3
26 1.0 . . 18226 3
27 1.0 . . 18226 3
28 1.0 . . 18226 3
29 1.0 . . 18226 3
30 1.0 . . 18226 3
31 1.0 . . 18226 3
32 1.0 . . 18226 3
33 1.0 . . 18226 3
34 1.0 . . 18226 3
35 1.0 . . 18226 3
36 1.0 . . 18226 3
37 1.0 . . 18226 3
38 1.0 . . 18226 3
39 1.0 . . 18226 3
40 1.0 . . 18226 3
41 1.0 . . 18226 3
42 1.0 . . 18226 3
43 1.0 . . 18226 3
44 1.0 . . 18226 3
45 1.0 . . 18226 3
46 1.0 . . 18226 3
47 1.0 . . 18226 3
48 1.0 . . 18226 3
49 1.0 . . 18226 3
50 1.0 . . 18226 3
51 1.0 . . 18226 3
52 1.0 . . 18226 3
53 1.0 . . 18226 3
54 1.0 . . 18226 3
55 1.0 . . 18226 3
56 1.0 . . 18226 3
57 1.0 . . 18226 3
58 1.0 . . 18226 3
59 1.0 . . 18226 3
60 1.0 . . 18226 3
61 1.0 . . 18226 3
62 1.0 . . 18226 3
63 1.0 . . 18226 3
64 1.0 . . 18226 3
65 1.0 . . 18226 3
66 1.0 . . 18226 3
67 1.0 . . 18226 3
68 1.0 . . 18226 3
69 1.0 . . 18226 3
70 1.0 . . 18226 3
71 1.0 . . 18226 3
72 1.0 . . 18226 3
73 1.0 . . 18226 3
74 1.0 . . 18226 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 7258721.00000 . height 18226 3
1 30854359.68750 . volume 18226 3
2 1583749.25000 . height 18226 3
2 6725311.00000 . volume 18226 3
3 11446380.00000 . height 18226 3
3 41261416.62500 . volume 18226 3
4 6813147.50000 . height 18226 3
4 30344827.50000 . volume 18226 3
5 10142770.00000 . height 18226 3
5 42843517.93750 . volume 18226 3
6 9821866.00000 . height 18226 3
6 43499954.12500 . volume 18226 3
7 2591307.25000 . height 18226 3
7 16946767.50000 . volume 18226 3
8 2621790.00000 . height 18226 3
8 14838232.31250 . volume 18226 3
9 3368980.00000 . height 18226 3
9 17485784.93750 . volume 18226 3
10 1636084.50000 . height 18226 3
10 8508350.87500 . volume 18226 3
11 2848943.00000 . height 18226 3
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12 3445848.50000 . height 18226 3
12 16188677.43750 . volume 18226 3
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13 55375931.75000 . volume 18226 3
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14 42937908.25000 . volume 18226 3
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18 11818717.00000 . height 18226 3
18 50341049.75000 . volume 18226 3
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21 9527775.12500 . volume 18226 3
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23 1345606.25000 . height 18226 3
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25 10263606.00000 . height 18226 3
25 54335452.25000 . volume 18226 3
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29 1461213.50000 . height 18226 3
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30 1870965.00000 . height 18226 3
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31 2945440.50000 . height 18226 3
31 15196752.93750 . volume 18226 3
32 1406497.87500 . height 18226 3
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33 1673078.25000 . height 18226 3
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40 9128141.00000 . height 18226 3
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41 8900021.00000 . height 18226 3
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43 10180666.00000 . height 18226 3
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48 1759825.75000 . height 18226 3
48 10323236.00000 . volume 18226 3
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50 12335243.00000 . height 18226 3
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51 3673286.75000 . height 18226 3
51 18975052.50000 . volume 18226 3
52 2992026.00000 . height 18226 3
52 14143626.43750 . volume 18226 3
53 1334196.12500 . height 18226 3
53 7216413.90625 . volume 18226 3
54 1367264.87500 . height 18226 3
54 7989244.84375 . volume 18226 3
55 1015437.12500 . height 18226 3
55 6878848.25000 . volume 18226 3
56 9122517.00000 . height 18226 3
56 52406605.00000 . volume 18226 3
57 10159765.00000 . height 18226 3
57 59484096.62500 . volume 18226 3
58 1382511.25000 . height 18226 3
58 12957438.18750 . volume 18226 3
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59 31875457.87500 . volume 18226 3
60 3095872.25000 . height 18226 3
60 24527389.50000 . volume 18226 3
61 3980484.00000 . height 18226 3
61 34462851.62500 . volume 18226 3
62 1854287.87500 . height 18226 3
62 26443072.31250 . volume 18226 3
63 3307676.50000 . height 18226 3
63 16357426.65620 . volume 18226 3
64 1509633.00000 . height 18226 3
64 8175832.46875 . volume 18226 3
65 1592274.62500 . height 18226 3
65 15625964.87500 . volume 18226 3
66 2264725.50000 . height 18226 3
66 25787738.06250 . volume 18226 3
67 7900176.50000 . height 18226 3
67 47148516.50000 . volume 18226 3
68 2674896.25000 . height 18226 3
68 27217642.53120 . volume 18226 3
69 890630.62500 . height 18226 3
69 7905321.25000 . volume 18226 3
70 779347.31250 . height 18226 3
70 4965007.75000 . volume 18226 3
71 4505290.50000 . height 18226 3
71 17814725.93750 . volume 18226 3
72 8786328.00000 . height 18226 3
72 52476992.75000 . volume 18226 3
73 5572621.00000 . height 18226 3
73 33091455.62500 . volume 18226 3
74 1106129.50000 . height 18226 3
74 3766705.01172 . volume 18226 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 8.357 . 25.6427493175 . . . . . . . . . . . 18226 3
1 2 125.011 . 21.9514749982 . . . . . . . . . . . 18226 3
2 1 8.769 . 31.7992107666 . . . . . . . . . . . 18226 3
2 2 123.534 . 20.0674639093 . . . . . . . . . . . 18226 3
3 1 7.974 . 24.3805136268 . . . . . . . . . . . 18226 3
3 2 123.346 . 17.6775160832 . . . . . . . . . . . 18226 3
4 1 8.395 . 26.3042400238 . . . . . . . . . . . 18226 3
4 2 123.215 . 23.3230046957 . . . . . . . . . . . 18226 3
5 1 8.546 . 25.7407479407 . . . . . . . . . . . 18226 3
5 2 122.161 . 22.2661679485 . . . . . . . . . . . 18226 3
6 1 8.323 . 26.8019522092 . . . . . . . . . . . 18226 3
6 2 122.016 . 22.0418178704 . . . . . . . . . . . 18226 3
7 1 7.982 . 78.2871398195 . . . . . . . . . . . 18226 3
7 2 121.858 . 84.7487971170 . . . . . . . . . . . 18226 3
8 1 7.925 . 77.9270284406 . . . . . . . . . . . 18226 3
8 2 121.897 . 25.5683817223 . . . . . . . . . . . 18226 3
9 1 8.097 . 35.9527414521 . . . . . . . . . . . 18226 3
9 2 121.681 . 24.2957101636 . . . . . . . . . . . 18226 3
10 1 8.457 . 33.1141374978 . . . . . . . . . . . 18226 3
10 2 120.738 . 26.1917392137 . . . . . . . . . . . 18226 3
11 1 8.737 . 27.7673393308 . . . . . . . . . . . 18226 3
11 2 120.471 . 25.6597959416 . . . . . . . . . . . 18226 3
12 1 8.623 . 27.8312733640 . . . . . . . . . . . 18226 3
12 2 120.379 . 22.6321356829 . . . . . . . . . . . 18226 3
13 1 8.299 . 23.8039326865 . . . . . . . . . . . 18226 3
13 2 120.401 . 22.9978369682 . . . . . . . . . . . 18226 3
14 1 8.177 . 26.6891866702 . . . . . . . . . . . 18226 3
14 2 120.239 . 41.3728277797 . . . . . . . . . . . 18226 3
15 1 7.900 . 34.0578776633 . . . . . . . . . . . 18226 3
15 2 120.165 . 28.9392505279 . . . . . . . . . . . 18226 3
16 1 8.667 . 28.9736956696 . . . . . . . . . . . 18226 3
16 2 119.968 . 27.1653661512 . . . . . . . . . . . 18226 3
17 1 8.269 . 28.5682767080 . . . . . . . . . . . 18226 3
17 2 119.962 . 32.8598258739 . . . . . . . . . . . 18226 3
18 1 8.113 . 25.5712640205 . . . . . . . . . . . 18226 3
18 2 119.888 . 22.3081780779 . . . . . . . . . . . 18226 3
19 1 7.609 . 34.2911278109 . . . . . . . . . . . 18226 3
19 2 119.658 . 26.1664931687 . . . . . . . . . . . 18226 3
20 1 8.192 . 20.8773984608 . . . . . . . . . . . 18226 3
20 2 119.612 . 26.2980745783 . . . . . . . . . . . 18226 3
21 1 7.735 . 35.1261297780 . . . . . . . . . . . 18226 3
21 2 119.234 . 23.6065397633 . . . . . . . . . . . 18226 3
22 1 8.548 . 30.0792006856 . . . . . . . . . . . 18226 3
22 2 119.098 . 21.8893202124 . . . . . . . . . . . 18226 3
23 1 8.437 . 37.3760707699 . . . . . . . . . . . 18226 3
23 2 119.147 . 31.2033567004 . . . . . . . . . . . 18226 3
24 1 8.219 . 24.9523960030 . . . . . . . . . . . 18226 3
24 2 118.774 . 19.8703915500 . . . . . . . . . . . 18226 3
25 1 8.310 . 25.9357383518 . . . . . . . . . . . 18226 3
25 2 118.390 . 31.0834990478 . . . . . . . . . . . 18226 3
26 1 8.060 . 29.2804447845 . . . . . . . . . . . 18226 3
26 2 118.196 . 27.9118230917 . . . . . . . . . . . 18226 3
27 1 7.868 . 36.8474823060 . . . . . . . . . . . 18226 3
27 2 118.218 . 33.4044476787 . . . . . . . . . . . 18226 3
28 1 7.716 . 35.6872725791 . . . . . . . . . . . 18226 3
28 2 118.234 . 27.9172852966 . . . . . . . . . . . 18226 3
29 1 8.182 . 81.8570417184 . . . . . . . . . . . 18226 3
29 2 118.090 . 40.2633784523 . . . . . . . . . . . 18226 3
30 1 8.237 . 68.0268182200 . . . . . . . . . . . 18226 3
30 2 118.004 . 34.2463377779 . . . . . . . . . . . 18226 3
31 1 8.177 . 34.0233096558 . . . . . . . . . . . 18226 3
31 2 117.288 . 25.2269050940 . . . . . . . . . . . 18226 3
32 1 8.029 . 86.5052640838 . . . . . . . . . . . 18226 3
32 2 117.254 . 42.8675623956 . . . . . . . . . . . 18226 3
33 1 7.914 . 37.2455178096 . . . . . . . . . . . 18226 3
33 2 117.293 . 27.3602292040 . . . . . . . . . . . 18226 3
34 1 8.070 . 32.0851519547 . . . . . . . . . . . 18226 3
34 2 116.905 . 26.8676093669 . . . . . . . . . . . 18226 3
35 1 8.268 . 24.5553673346 . . . . . . . . . . . 18226 3
35 2 116.610 . 20.1767635193 . . . . . . . . . . . 18226 3
36 1 7.823 . 30.4050796687 . . . . . . . . . . . 18226 3
36 2 114.117 . 27.9092030096 . . . . . . . . . . . 18226 3
37 1 7.796 . 40.4106719704 . . . . . . . . . . . 18226 3
37 2 113.423 . 90.2110243112 . . . . . . . . . . . 18226 3
38 1 7.834 . 50.9461951829 . . . . . . . . . . . 18226 3
38 2 113.202 . 35.5114377435 . . . . . . . . . . . 18226 3
39 1 8.115 . 34.3505310859 . . . . . . . . . . . 18226 3
39 2 113.033 . 27.2797615988 . . . . . . . . . . . 18226 3
40 1 7.497 . 23.2954809259 . . . . . . . . . . . 18226 3
40 2 112.505 . 18.8162748032 . . . . . . . . . . . 18226 3
41 1 6.816 . 27.3281913911 . . . . . . . . . . . 18226 3
41 2 112.501 . 27.4120979473 . . . . . . . . . . . 18226 3
42 1 7.444 . 54.7949904238 . . . . . . . . . . . 18226 3
42 2 112.298 . 24.3858587501 . . . . . . . . . . . 18226 3
43 1 6.772 . 36.0071105512 . . . . . . . . . . . 18226 3
43 2 112.237 . 23.9405336148 . . . . . . . . . . . 18226 3
44 1 7.792 . 32.8191347932 . . . . . . . . . . . 18226 3
44 2 111.928 . 28.8156625889 . . . . . . . . . . . 18226 3
45 1 6.903 . 33.4715639830 . . . . . . . . . . . 18226 3
45 2 111.167 . 23.6183967449 . . . . . . . . . . . 18226 3
46 1 8.363 . 32.8825654089 . . . . . . . . . . . 18226 3
46 2 110.209 . 26.5122995936 . . . . . . . . . . . 18226 3
47 1 8.450 . 26.3193425513 . . . . . . . . . . . 18226 3
47 2 110.044 . 19.4942099364 . . . . . . . . . . . 18226 3
48 1 8.265 . 37.3676804768 . . . . . . . . . . . 18226 3
48 2 109.822 . 28.8630905152 . . . . . . . . . . . 18226 3
49 1 7.771 . 25.4782995732 . . . . . . . . . . . 18226 3
49 2 109.845 . 22.9934849674 . . . . . . . . . . . 18226 3
50 1 8.171 . 25.1373180625 . . . . . . . . . . . 18226 3
50 2 108.441 . 20.3408073017 . . . . . . . . . . . 18226 3
51 1 10.167 . 30.6306107467 . . . . . . . . . . . 18226 3
51 2 129.176 . 25.4781221154 . . . . . . . . . . . 18226 3
52 1 8.063 . 31.0266325800 . . . . . . . . . . . 18226 3
52 2 107.391 . 23.6832326740 . . . . . . . . . . . 18226 3
53 1 8.431 . 37.3317700224 . . . . . . . . . . . 18226 3
53 2 106.954 . 26.2477157128 . . . . . . . . . . . 18226 3
54 1 8.214 . 35.1083423567 . . . . . . . . . . . 18226 3
54 2 105.715 . 27.6587409271 . . . . . . . . . . . 18226 3
55 1 8.111 . 183.5933726330 . . . . . . . . . . . 18226 3
55 2 120.287 . 67.9341984018 . . . . . . . . . . . 18226 3
56 1 7.469 . 40.8318646830 . . . . . . . . . . . 18226 3
56 2 112.229 . 25.5918070323 . . . . . . . . . . . 18226 3
57 1 6.794 . 41.4725474624 . . . . . . . . . . . 18226 3
57 2 112.293 . 24.0316591809 . . . . . . . . . . . 18226 3
58 1 8.035 . 44.8232949061 . . . . . . . . . . . 18226 3
58 2 118.680 . 74.4798739395 . . . . . . . . . . . 18226 3
59 1 7.919 . 62.7771796467 . . . . . . . . . . . 18226 3
59 2 120.047 . 51.5826214779 . . . . . . . . . . . 18226 3
60 1 7.975 . 60.1516891367 . . . . . . . . . . . 18226 3
60 2 119.737 . 62.1443943367 . . . . . . . . . . . 18226 3
61 1 8.083 . 53.1082059034 . . . . . . . . . . . 18226 3
61 2 118.109 . 32.4494055607 . . . . . . . . . . . 18226 3
62 1 8.198 . 104.5309697330 . . . . . . . . . . . 18226 3
62 2 120.192 . 87.6850431564 . . . . . . . . . . . 18226 3
63 1 10.271 . 28.1897066844 . . . . . . . . . . . 18226 3
63 2 128.684 . 25.1655774104 . . . . . . . . . . . 18226 3
64 1 7.456 . 35.2002999688 . . . . . . . . . . . 18226 3
64 2 119.020 . 26.2291975057 . . . . . . . . . . . 18226 3
65 1 7.959 . 41.6893526356 . . . . . . . . . . . 18226 3
65 2 120.570 . 139.5393760260 . . . . . . . . . . . 18226 3
66 1 8.313 . 36.4276320403 . . . . . . . . . . . 18226 3
66 2 118.759 . 66.5790830743 . . . . . . . . . . . 18226 3
67 1 8.064 . 31.7189995648 . . . . . . . . . . . 18226 3
67 2 118.134 . 29.4173488931 . . . . . . . . . . . 18226 3
68 1 8.320 . 32.3200801609 . . . . . . . . . . . 18226 3
68 2 118.134 . 65.7699217969 . . . . . . . . . . . 18226 3
69 1 8.091 . 245.3942577770 . . . . . . . . . . . 18226 3
69 2 117.322 . 130.9605834160 . . . . . . . . . . . 18226 3
70 1 6.727 . 51.9201404035 . . . . . . . . . . . 18226 3
70 2 72.173 . 32.0715808448 . . . . . . . . . . . 18226 3
71 1 7.135 . 26.3529037237 . . . . . . . . . . . 18226 3
71 2 84.603 . 19.7701623089 . . . . . . . . . . . 18226 3
72 1 7.940 . 33.7242796105 . . . . . . . . . . . 18226 3
72 2 119.970 . 29.8267034102 . . . . . . . . . . . 18226 3
73 1 7.959 . 30.0305369857 . . . . . . . . . . . 18226 3
73 2 120.974 . 36.1534244625 . . . . . . . . . . . 18226 3
74 1 8.603 . 23.0763264707 . . . . . . . . . . . 18226 3
74 2 122.330 . 20.9358767885 . . . . . . . . . . . 18226 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 . . 8.357 . . 1 . 1 1 64 HIS H . . . . . . . . . . 170 . 18226 3
1 2 1 . . 125.011 . . 1 . 1 1 64 HIS N . . . . . . . . . . 76 . 18226 3
2 1 1 . . 8.769 . . 1 . 1 1 2 GLU H . . . . . . . . . . 64 . 18226 3
2 2 1 . . 123.534 . . 1 . 1 1 2 GLU N . . . . . . . . . . 65 . 18226 3
3 1 1 . . 7.974 . . 1 . 1 1 13 ALA H . . . . . . . . . . 33 . 18226 3
3 2 1 . . 123.346 . . 1 . 1 1 13 ALA N . . . . . . . . . . 34 . 18226 3
4 1 1 . . 8.395 . . 1 . 1 1 20 GLU H . . . . . . . . . . 162 . 18226 3
4 2 1 . . 123.215 . . 1 . 1 1 20 GLU N . . . . . . . . . . 163 . 18226 3
5 1 1 . . 8.546 . . 1 . 1 1 3 GLU H . . . . . . . . . . 61 . 18226 3
5 2 1 . . 122.161 . . 1 . 1 1 3 GLU N . . . . . . . . . . 62 . 18226 3
6 1 1 . . 8.323 . . 1 . 1 1 18 GLU H . . . . . . . . . . 7 . 18226 3
6 2 1 . . 122.016 . . 1 . 1 1 18 GLU N . . . . . . . . . . 8 . 18226 3
7 1 1 . . 7.982 . . 1 . 1 1 24 TRP H . . . . . . . . . . 77 . 18226 3
7 2 1 . . 121.858 . . 1 . 1 1 24 TRP N . . . . . . . . . . 183 . 18226 3
8 1 1 . . 7.925 . . 1 . 1 1 29 ALA H . . . . . . . . . . 379 . 18226 3
8 2 1 . . 121.897 . . 1 . 1 1 29 ALA N . . . . . . . . . . 260 . 18226 3
9 1 1 . . 8.097 . . 1 . 1 1 23 ASP H . . . . . . . . . . 177 . 18226 3
9 2 1 . . 121.681 . . 1 . 1 1 23 ASP N . . . . . . . . . . 178 . 18226 3
10 1 1 . . 8.457 . . 1 . 1 1 40 LEU H . . . . . . . . . . 26 . 18226 3
10 2 1 . . 120.738 . . 1 . 1 1 40 LEU N . . . . . . . . . . 27 . 18226 3
11 1 1 . . 8.737 . . 1 . 1 1 62 HIS H . . . . . . . . . . 55 . 18226 3
11 2 1 . . 120.471 . . 1 . 1 1 62 HIS N . . . . . . . . . . 56 . 18226 3
12 1 1 . . 8.623 . . 1 . 1 1 63 HIS H . . . . . . . . . . 80 . 18226 3
12 2 1 . . 120.379 . . 1 . 1 1 63 HIS N . . . . . . . . . . 81 . 18226 3
13 1 1 . . 8.299 . . 1 . 1 1 16 GLN H . . . . . . . . . . 173 . 18226 3
13 2 1 . . 120.401 . . 1 . 1 1 16 GLN N . . . . . . . . . . 174 . 18226 3
14 1 1 . . 8.177 . . 1 . 1 1 8 ASP H . . . . . . . . . . 31 . 18226 3
14 2 1 . . 120.239 . . 1 . 1 1 8 ASP N . . . . . . . . . . 32 . 18226 3
15 1 2 . . 7.900 . . 1 . 1 1 53 VAL H . . . . . . . . . . 457 . 18226 3
15 2 2 . . 120.165 . . 1 . 1 1 53 VAL N . . . . . . . . . . 458 . 18226 3
16 1 1 . . 8.667 . . 1 . 1 1 61 HIS H . . . . . . . . . . 37 . 18226 3
16 2 1 . . 119.968 . . 1 . 1 1 61 HIS N . . . . . . . . . . 38 . 18226 3
17 1 1 . . 8.269 . . 1 . 1 1 19 CYS H . . . . . . . . . . 181 . 18226 3
17 2 1 . . 119.962 . . 1 . 1 1 19 CYS N . . . . . . . . . . 182 . 18226 3
18 1 1 . . 8.113 . . 1 . 1 1 7 PHE H . . . . . . . . . . 59 . 18226 3
18 2 1 . . 119.888 . . 1 . 1 1 7 PHE N . . . . . . . . . . 60 . 18226 3
19 1 1 . . 7.609 . . 1 . 1 1 25 LYS H . . . . . . . . . . 11 . 18226 3
19 2 1 . . 119.658 . . 1 . 1 1 25 LYS N . . . . . . . . . . 12 . 18226 3
20 1 1 . . 8.192 . . 1 . 1 1 6 ASP H . . . . . . . . . . 47 . 18226 3
20 2 1 . . 119.612 . . 1 . 1 1 6 ASP N . . . . . . . . . . 190 . 18226 3
21 1 1 . . 7.735 . . 1 . 1 1 50 LEU H . . . . . . . . . . 187 . 18226 3
21 2 1 . . 119.234 . . 1 . 1 1 50 LEU N . . . . . . . . . . 22 . 18226 3
22 1 1 . . 8.548 . . 1 . 1 1 60 HIS H . . . . . . . . . . 53 . 18226 3
22 2 1 . . 119.098 . . 1 . 1 1 60 HIS N . . . . . . . . . . 54 . 18226 3
23 1 1 . . 8.437 . . 1 . 1 1 41 LEU H . . . . . . . . . . 168 . 18226 3
23 2 1 . . 119.147 . . 1 . 1 1 41 LEU N . . . . . . . . . . 169 . 18226 3
24 1 1 . . 8.219 . . 1 . 1 1 15 ASN H . . . . . . . . . . 66 . 18226 3
24 2 1 . . 118.774 . . 1 . 1 1 15 ASN N . . . . . . . . . . 67 . 18226 3
25 1 1 . . 8.310 . . 1 . 1 1 14 ASP H . . . . . . . . . . 1 . 18226 3
25 2 1 . . 118.390 . . 1 . 1 1 14 ASP N . . . . . . . . . . 186 . 18226 3
26 1 1 . . 8.060 . . 1 . 1 1 9 ASN H . . . . . . . . . . 68 . 18226 3
26 2 1 . . 118.196 . . 1 . 1 1 9 ASN N . . . . . . . . . . 69 . 18226 3
27 1 1 . . 7.868 . . 1 . 1 1 57 LYS H . . . . . . . . . . 35 . 18226 3
27 2 1 . . 118.218 . . 1 . 1 1 57 LYS N . . . . . . . . . . 36 . 18226 3
28 1 1 . . 7.716 . . 1 . 1 1 56 LYS H . . . . . . . . . . 189 . 18226 3
28 2 1 . . 118.234 . . 1 . 1 1 56 LYS N . . . . . . . . . . 28 . 18226 3
29 1 1 . . 8.182 . . 1 . 1 1 34 ILE H . . . . . . . . . . 323 . 18226 3
29 2 1 . . 118.090 . . 1 . 1 1 34 ILE N . . . . . . . . . . 324 . 18226 3
30 1 1 . . 8.237 . . 1 . 1 1 46 ASN H . . . . . . . . . . 49 . 18226 3
30 2 1 . . 118.004 . . 1 . 1 1 46 ASN N . . . . . . . . . . 50 . 18226 3
31 1 1 . . 8.177 . . 1 . 1 1 27 SER H . . . . . . . . . . 175 . 18226 3
31 2 1 . . 117.288 . . 1 . 1 1 27 SER N . . . . . . . . . . 23 . 18226 3
32 1 1 . . 8.029 . . 1 . 1 1 55 ARG H . . . . . . . . . . 43 . 18226 3
32 2 1 . . 117.254 . . 1 . 1 1 55 ARG N . . . . . . . . . . 44 . 18226 3
33 1 1 . . 7.914 . . 1 . 1 1 30 LEU H . . . . . . . . . . 9 . 18226 3
33 2 1 . . 117.293 . . 1 . 1 1 30 LEU N . . . . . . . . . . 10 . 18226 3
34 1 1 . . 8.070 . . 1 . 1 1 59 HIS H . . . . . . . . . . 2 . 18226 3
34 2 1 . . 116.905 . . 1 . 1 1 59 HIS N . . . . . . . . . . 3 . 18226 3
35 1 1 . . 8.268 . . 1 . 1 1 17 SER H . . . . . . . . . . 179 . 18226 3
35 2 1 . . 116.610 . . 1 . 1 1 17 SER N . . . . . . . . . . 180 . 18226 3
36 1 1 . . 7.823 . . 1 . 1 1 26 SER H . . . . . . . . . . 165 . 18226 3
36 2 1 . . 114.117 . . 1 . 1 1 26 SER N . . . . . . . . . . 15 . 18226 3
37 1 1 . . 7.796 . . 1 . 1 1 22 THR H . . . . . . . . . . 5 . 18226 3
37 2 1 . . 113.423 . . 1 . 1 1 22 THR N . . . . . . . . . . 6 . 18226 3
38 1 1 . . 7.834 . . 1 . 1 1 44 THR H . . . . . . . . . . 20 . 18226 3
38 2 1 . . 113.202 . . 1 . 1 1 44 THR N . . . . . . . . . . 21 . 18226 3
39 1 1 . . 8.115 . . 1 . 1 1 52 THR H . . . . . . . . . . 13 . 18226 3
39 2 1 . . 113.033 . . 1 . 1 1 52 THR N . . . . . . . . . . 14 . 18226 3
40 1 1 . . 7.497 . . 1 . 1 1 15 ASN HD21 . . . . . . . . . . 18 . 18226 3
40 2 1 . . 112.505 . . 1 . 1 1 15 ASN ND2 . . . . . . . . . . 19 . 18226 3
41 1 1 . . 6.816 . . 1 . 1 1 15 ASN HD22 . . . . . . . . . . 52 . 18226 3
41 2 1 . . 112.501 . . 1 . 1 1 15 ASN ND2 . . . . . . . . . . 19 . 18226 3
42 1 1 . . 7.444 . . 1 . 1 1 9 ASN HD21 . . . . . . . . . . 73 . 18226 3
42 2 1 . . 112.298 . . 1 . 1 1 9 ASN ND2 . . . . . . . . . . 58 . 18226 3
43 1 2 . . 6.772 . . 1 . 1 1 16 GLN HE22 . . . . . . . . . . 171 . 18226 3
43 2 2 . . 112.237 . . 1 . 1 1 16 GLN NE2 . . . . . . . . . . 172 . 18226 3
44 1 1 . . 7.792 . . 1 . 1 1 43 THR H . . . . . . . . . . 51 . 18226 3
44 2 1 . . 111.928 . . 1 . 1 1 43 THR N . . . . . . . . . . 188 . 18226 3
45 1 1 . . 6.903 . . 1 . 1 1 46 ASN HD22 . . . . . . . . . . 48 . 18226 3
45 2 1 . . 111.167 . . 1 . 1 1 46 ASN ND2 . . . . . . . . . . 25 . 18226 3
46 1 1 . . 8.363 . . 1 . 1 1 28 GLY H . . . . . . . . . . 41 . 18226 3
46 2 1 . . 110.209 . . 1 . 1 1 28 GLY N . . . . . . . . . . 42 . 18226 3
47 1 1 . . 8.450 . . 1 . 1 1 4 GLY H . . . . . . . . . . 70 . 18226 3
47 2 1 . . 110.044 . . 1 . 1 1 4 GLY N . . . . . . . . . . 71 . 18226 3
48 1 1 . . 8.265 . . 1 . 1 1 45 GLY H . . . . . . . . . . 39 . 18226 3
48 2 1 . . 109.822 . . 1 . 1 1 45 GLY N . . . . . . . . . . 40 . 18226 3
49 1 1 . . 7.771 . . 1 . 1 1 12 GLY H . . . . . . . . . . 164 . 18226 3
49 2 1 . . 109.845 . . 1 . 1 1 12 GLY N . . . . . . . . . . 63 . 18226 3
50 1 1 . . 8.171 . . 1 . 1 1 5 GLY H . . . . . . . . . . 191 . 18226 3
50 2 1 . . 108.441 . . 1 . 1 1 5 GLY N . . . . . . . . . . 192 . 18226 3
51 1 2 . . 10.167 . . 1 . 1 1 24 TRP HE1 . . . . . . . . . . 589 . 18226 3
51 2 3 . . 129.176 . . 1 . 1 1 24 TRP NE1 . . . . . . . . . . 590 . 18226 3
52 1 1 . . 8.063 . . 1 . 1 1 58 GLY H . . . . . . . . . . 176 . 18226 3
52 2 1 . . 107.391 . . 1 . 1 1 58 GLY N . . . . . . . . . . 4 . 18226 3
53 1 1 . . 8.431 . . 1 . 1 1 47 GLY H . . . . . . . . . . 166 . 18226 3
53 2 1 . . 106.954 . . 1 . 1 1 47 GLY N . . . . . . . . . . 167 . 18226 3
54 1 1 . . 8.214 . . 1 . 1 1 42 GLY H . . . . . . . . . . 16 . 18226 3
54 2 1 . . 105.715 . . 1 . 1 1 42 GLY N . . . . . . . . . . 17 . 18226 3
55 1 2 . . 8.111 . . 1 . 1 1 37 LEU H . . . . . . . . . . 446 . 18226 3
55 2 2 . . 120.287 . . 1 . 1 1 37 LEU N . . . . . . . . . . 448 . 18226 3
56 1 2 . . 7.469 . . 1 . 1 1 16 GLN HE21 . . . . . . . . . . 218 . 18226 3
56 2 2 . . 112.229 . . 1 . 1 1 16 GLN NE2 . . . . . . . . . . 172 . 18226 3
57 1 1 . . 6.794 . . 1 . 1 1 9 ASN HD22 . . . . . . . . . . 57 . 18226 3
57 2 1 . . 112.293 . . 1 . 1 1 9 ASN ND2 . . . . . . . . . . 58 . 18226 3
58 1 1 . . 8.035 . . 1 . 1 1 54 PHE H . . . . . . . . . . 29 . 18226 3
58 2 1 . . 118.680 . . 1 . 1 1 54 PHE N . . . . . . . . . . 30 . 18226 3
59 1 1 . . 7.919 . . 1 . 1 1 49 VAL H . . . . . . . . . . 357 . 18226 3
59 2 1 . . 120.047 . . 1 . 1 1 49 VAL N . . . . . . . . . . 280 . 18226 3
60 1 1 . . 7.975 . . 1 . 1 1 21 TYR H . . . . . . . . . . 265 . 18226 3
60 2 1 . . 119.737 . . 1 . 1 1 21 TYR N . . . . . . . . . . 266 . 18226 3
61 1 2 . . 8.083 . . 1 . 1 1 36 MET H . . . . . . . . . . 449 . 18226 3
61 2 2 . . 118.109 . . 1 . 1 1 36 MET N . . . . . . . . . . 450 . 18226 3
62 1 1 . . 8.198 . . 1 . 1 1 39 PHE H . . . . . . . . . . 74 . 18226 3
62 2 1 . . 120.192 . . 1 . 1 1 39 PHE N . . . . . . . . . . 75 . 18226 3
63 1 3 . . 10.271 . . 1 . 1 1 51 TRP HE1 . . . . . . . . . . 580 . 18226 3
63 2 4 . . 128.684 . . 1 . 1 1 51 TRP NE1 . . . . . . . . . . 581 . 18226 3
64 1 1 . . 7.456 . . 1 . 1 1 33 ALA H . . . . . . . . . . 284 . 18226 3
64 2 1 . . 119.020 . . 1 . 1 1 33 ALA N . . . . . . . . . . 285 . 18226 3
65 1 3 . . 7.959 . . 1 . 1 1 48 LEU H . . . . . . . . . . 184 . 18226 3
65 2 1 . . 120.570 . . 1 . 1 1 48 LEU N . . . . . . . . . . 185 . 18226 3
66 1 1 . . 8.313 . . 1 . 1 1 35 TYR H . . . . . . . . . . 453 . 18226 3
66 2 1 . . 118.759 . . 1 . 1 1 35 TYR N . . . . . . . . . . 452 . 18226 3
67 1 1 . . 8.064 . . 1 . 1 1 51 TRP H . . . . . . . . . . 463 . 18226 3
67 2 2 . . 118.134 . . 1 . 1 1 51 TRP N . . . . . . . . . . 588 . 18226 3
68 1 1 . . 8.320 . . 1 . 1 1 38 VAL H . . . . . . . . . . 443 . 18226 3
68 2 1 . . 118.134 . . 1 . 1 1 38 VAL N . . . . . . . . . . 444 . 18226 3
69 1 1 . . 8.091 . . 1 . 1 1 31 ILE H . . . . . . . . . . 465 . 18226 3
69 2 2 . . 117.322 . . 1 . 1 1 31 ILE N . . . . . . . . . . 466 . 18226 3
70 1 1 . . 6.727 . . 1 . 1 1 55 ARG HH11 . . . . . . . . . . 539 . 18226 3
70 2 1 . . 72.173 . . 1 . 1 1 55 ARG NH1 . . . . . . . . . . 542 . 18226 3
71 1 1 . . 7.135 . . 1 . 1 1 55 ARG HE . . . . . . . . . . 540 . 18226 3
71 2 1 . . 84.603 . . 1 . 1 1 55 ARG NE . . . . . . . . . . 541 . 18226 3
72 1 1 . . 7.940 . . 1 . 1 1 10 TYR H . . . . . . . . . . 72 . 18226 3
72 2 1 . . 119.970 . . 1 . 1 1 10 TYR N . . . . . . . . . . 161 . 18226 3
73 1 1 . . 7.959 . . 1 . 1 1 11 TYR H . . . . . . . . . . 45 . 18226 3
73 2 1 . . 120.974 . . 1 . 1 1 11 TYR N . . . . . . . . . . 46 . 18226 3
74 1 1 . . 8.603 . . 1 . . . . . . . . . . . . . . . . 78 . 18226 3
74 2 1 . . 122.330 . . 1 . . . . . . . . . . . . . . . . 79 . 18226 3
stop_
save_