Content for NMR-STAR saveframe, "peak_list_1_2_3_4_5_6_7_8_9_10_11_12_13_14"
save_peak_list_1_2_3_4_5_6_7_8_9_10_11_12_13_14
_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_12_13_14
_Spectral_peak_list.Entry_ID 25839
_Spectral_peak_list.ID 14
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $CN1
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $298K
_Spectral_peak_list.Experiment_ID 16
_Spectral_peak_list.Experiment_name 'hCccoNH (hC_cacoNH.relayed)'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 3
_Spectral_peak_list.Chemical_shift_list .
_Spectral_peak_list.Assigned_chem_shift_list_ID .
_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 . . 5000.000 Hz . . . . . . 25839 14
2 . . C 13 13C . . 11318.152 Hz . . . . . . 25839 14
3 . . N 15 15N . . 1538.694 Hz . . . . . . 25839 14
stop_
loop_
_Peak.ID
_Peak.Figure_of_merit
_Peak.Restraint
_Peak.Details
_Peak.Entry_ID
_Peak.Spectral_peak_list_ID
1 1.0 . . 25839 14
2 1.0 . . 25839 14
3 1.0 . . 25839 14
4 1.0 . . 25839 14
5 1.0 . . 25839 14
6 1.0 . . 25839 14
7 1.0 . . 25839 14
8 1.0 . . 25839 14
9 1.0 . . 25839 14
10 1.0 . . 25839 14
11 1.0 . . 25839 14
12 1.0 . . 25839 14
13 1.0 . . 25839 14
14 1.0 . . 25839 14
15 1.0 . . 25839 14
16 1.0 . . 25839 14
17 1.0 . . 25839 14
18 1.0 . . 25839 14
19 1.0 . . 25839 14
20 1.0 . . 25839 14
21 1.0 . . 25839 14
22 1.0 . . 25839 14
23 1.0 . . 25839 14
24 1.0 . . 25839 14
25 1.0 . . 25839 14
26 1.0 . . 25839 14
27 1.0 . . 25839 14
28 1.0 . . 25839 14
29 1.0 . . 25839 14
30 1.0 . . 25839 14
31 1.0 . . 25839 14
32 1.0 . . 25839 14
33 1.0 . . 25839 14
34 1.0 . . 25839 14
35 1.0 . . 25839 14
36 1.0 . . 25839 14
37 1.0 . . 25839 14
38 1.0 . . 25839 14
39 1.0 . . 25839 14
40 1.0 . . 25839 14
41 1.0 . . 25839 14
42 1.0 . . 25839 14
43 1.0 . . 25839 14
44 1.0 . . 25839 14
45 1.0 . . 25839 14
46 1.0 . . 25839 14
47 1.0 . . 25839 14
48 1.0 . . 25839 14
49 1.0 . . 25839 14
50 1.0 . . 25839 14
51 1.0 . . 25839 14
52 1.0 . . 25839 14
53 1.0 . . 25839 14
54 1.0 . . 25839 14
55 1.0 . . 25839 14
56 1.0 . . 25839 14
57 1.0 . . 25839 14
58 1.0 . . 25839 14
59 1.0 . . 25839 14
60 1.0 . . 25839 14
61 1.0 . . 25839 14
62 1.0 . . 25839 14
63 1.0 . . 25839 14
64 1.0 . . 25839 14
65 1.0 . . 25839 14
66 1.0 . . 25839 14
67 1.0 . . 25839 14
68 1.0 . . 25839 14
69 1.0 . . 25839 14
70 1.0 . . 25839 14
71 1.0 . . 25839 14
72 1.0 . . 25839 14
73 1.0 . . 25839 14
74 1.0 . . 25839 14
75 1.0 . . 25839 14
76 1.0 . . 25839 14
77 1.0 . . 25839 14
78 1.0 . . 25839 14
79 1.0 . . 25839 14
80 1.0 . . 25839 14
81 1.0 . . 25839 14
82 1.0 . . 25839 14
83 1.0 . . 25839 14
84 1.0 . . 25839 14
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
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stop_
loop_
_Peak_char.Peak_ID
_Peak_char.Spectral_dim_ID
_Peak_char.Chem_shift_val
_Peak_char.Chem_shift_val_err
_Peak_char.Line_width_val
_Peak_char.Line_width_val_err
_Peak_char.Phase_val
_Peak_char.Phase_val_err
_Peak_char.Decay_rate_val
_Peak_char.Decay_rate_val_err
_Peak_char.Coupling_pattern
_Peak_char.Bounding_box_upper_val
_Peak_char.Bounding_box_lower_val
_Peak_char.Bounding_box_range_val
_Peak_char.Details
_Peak_char.Derivation_method_ID
_Peak_char.Entry_ID
_Peak_char.Spectral_peak_list_ID
1 1 8.575 . 16.72536134720 . . . . . . . . . . 1 25839 14
1 2 24.747 . 65.74724768210 . . . . . . . . . . 1 25839 14
1 3 113.928 . 16.32964643200 . . . . . . . . . . 1 25839 14
2 1 8.579 . 17.65757799150 . . . . . . . . . . 1 25839 14
2 2 29.745 . 71.00451793100 . . . . . . . . . . 1 25839 14
2 3 113.962 . 24.15380056070 . . . . . . . . . . 1 25839 14
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3 2 25.096 . 82.30633346800 . . . . . . . . . . 1 25839 14
3 3 125.972 . 13.36107003700 . . . . . . . . . . 1 25839 14
4 1 8.221 . 26.07017755510 . . . . . . . . . . 1 25839 14
4 2 29.404 . 57.41778332140 . . . . . . . . . . 1 25839 14
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44 1 8.316 . 30.27468919750 . . . . . . . . . . 1 25839 14
44 2 21.106 . 91.42307286790 . . . . . . . . . . 1 25839 14
44 3 114.849 . 20.94410987560 . . . . . . . . . . 1 25839 14
45 1 8.275 . 37.23472356800 . . . . . . . . . . 1 25839 14
45 2 21.813 . 61.33257085560 . . . . . . . . . . 1 25839 14
45 3 111.003 . 22.00367373780 . . . . . . . . . . 1 25839 14
46 1 8.485 . 24.72460269930 . . . . . . . . . . 1 25839 14
46 2 26.722 . 94.97694168230 . . . . . . . . . . 1 25839 14
46 3 121.027 . 14.34153117000 . . . . . . . . . . 1 25839 14
47 1 8.490 . 19.80423927310 . . . . . . . . . . 1 25839 14
47 2 29.457 . 58.48030104780 . . . . . . . . . . 1 25839 14
47 3 121.019 . 15.44342072440 . . . . . . . . . . 1 25839 14
48 1 7.900 . 22.87179231640 . . . . . . . . . . 1 25839 14
48 2 58.450 . 52.89044588520 . . . . . . . . . . 1 25839 14
48 3 116.866 . 13.84861798920 . . . . . . . . . . 1 25839 14
49 1 7.902 . 21.42310142520 . . . . . . . . . . 1 25839 14
49 2 41.624 . 90.08261399650 . . . . . . . . . . 1 25839 14
49 3 116.815 . 22.33778532350 . . . . . . . . . . 1 25839 14
50 1 7.900 . 21.81679010390 . . . . . . . . . . 1 25839 14
50 2 25.374 . 62.99617003870 . . . . . . . . . . 1 25839 14
50 3 116.868 . 15.11407823070 . . . . . . . . . . 1 25839 14
51 1 9.023 . 21.10749483110 . . . . . . . . . . 1 25839 14
51 2 32.666 . 43.67791123630 . . . . . . . . . . 1 25839 14
51 3 123.193 . 16.62629313090 . . . . . . . . . . 1 25839 14
52 1 9.024 . 22.83170819280 . . . . . . . . . . 1 25839 14
52 2 54.585 . 64.85641932800 . . . . . . . . . . 1 25839 14
52 3 123.200 . 12.92456054150 . . . . . . . . . . 1 25839 14
53 1 9.024 . 26.34242177010 . . . . . . . . . . 1 25839 14
53 2 34.119 . 47.16566783670 . . . . . . . . . . 1 25839 14
53 3 123.200 . 12.50763183740 . . . . . . . . . . 1 25839 14
54 1 8.469 . 28.27733755110 . . . . . . . . . . 1 25839 14
54 2 21.174 . 73.48035288720 . . . . . . . . . . 1 25839 14
54 3 128.526 . 13.49192200100 . . . . . . . . . . 1 25839 14
55 1 8.518 . 25.55906772610 . . . . . . . . . . 1 25839 14
55 2 25.433 . 138.46393703500 . . . . . . . . . . 1 25839 14
55 3 115.883 . 13.39371997510 . . . . . . . . . . 1 25839 14
56 1 8.518 . 20.72602510450 . . . . . . . . . . 1 25839 14
56 2 29.700 . 63.15065674310 . . . . . . . . . . 1 25839 14
56 3 115.880 . 13.58943617710 . . . . . . . . . . 1 25839 14
57 1 8.462 . 23.72860908510 . . . . . . . . . . 1 25839 14
57 2 59.343 . 56.19099698140 . . . . . . . . . . 1 25839 14
57 3 118.067 . 13.31732278850 . . . . . . . . . . 1 25839 14
58 1 8.464 . 17.46237277980 . . . . . . . . . . 1 25839 14
58 2 27.626 . 102.23107064200 . . . . . . . . . . 1 25839 14
58 3 118.073 . 16.96439424560 . . . . . . . . . . 1 25839 14
59 1 8.462 . 24.27488565440 . . . . . . . . . . 1 25839 14
59 2 31.743 . 58.83784669540 . . . . . . . . . . 1 25839 14
59 3 118.068 . 13.54302924260 . . . . . . . . . . 1 25839 14
60 1 7.084 . 8.56071710587 . . . . . . . . . . 1 25839 14
60 2 54.314 . 54.30882272320 . . . . . . . . . . 1 25839 14
60 3 114.325 . 15.64353916530 . . . . . . . . . . 1 25839 14
61 1 7.088 . 17.18312501910 . . . . . . . . . . 1 25839 14
61 2 43.736 . 89.71292528920 . . . . . . . . . . 1 25839 14
61 3 114.349 . 22.44490646870 . . . . . . . . . . 1 25839 14
62 1 7.089 . 14.30004835130 . . . . . . . . . . 1 25839 14
62 2 22.038 . 81.60540907570 . . . . . . . . . . 1 25839 14
62 3 114.344 . 21.17467713510 . . . . . . . . . . 1 25839 14
63 1 7.085 . 13.71443271640 . . . . . . . . . . 1 25839 14
63 2 26.265 . 76.08976150040 . . . . . . . . . . 1 25839 14
63 3 114.332 . 17.54778260600 . . . . . . . . . . 1 25839 14
64 1 8.983 . 23.09754490850 . . . . . . . . . . 1 25839 14
64 2 57.246 . 55.01143365140 . . . . . . . . . . 1 25839 14
64 3 122.868 . 22.74114045770 . . . . . . . . . . 1 25839 14
65 1 8.044 . 24.67572689060 . . . . . . . . . . 1 25839 14
65 2 60.529 . 63.38795236860 . . . . . . . . . . 1 25839 14
65 3 116.067 . 14.82453931330 . . . . . . . . . . 1 25839 14
66 1 8.051 . 32.51165151600 . . . . . . . . . . 1 25839 14
66 2 30.851 . 97.84472762200 . . . . . . . . . . 1 25839 14
66 3 116.075 . 17.88409531120 . . . . . . . . . . 1 25839 14
67 1 8.039 . 24.71357584000 . . . . . . . . . . 1 25839 14
67 2 36.787 . 56.01660915140 . . . . . . . . . . 1 25839 14
67 3 116.069 . 14.41879963300 . . . . . . . . . . 1 25839 14
68 1 8.028 . 20.89321613310 . . . . . . . . . . 1 25839 14
68 2 60.790 . 53.78211750730 . . . . . . . . . . 1 25839 14
68 3 119.979 . 22.23502056040 . . . . . . . . . . 1 25839 14
69 1 8.026 . 18.65386962890 . . . . . . . . . . 1 25839 14
69 2 32.996 . 90.04888327500 . . . . . . . . . . 1 25839 14
69 3 119.991 . 21.81254320120 . . . . . . . . . . 1 25839 14
70 1 8.020 . 25.78169107440 . . . . . . . . . . 1 25839 14
70 2 27.708 . 85.21392165900 . . . . . . . . . . 1 25839 14
70 3 120.008 . 20.71459731910 . . . . . . . . . . 1 25839 14
71 1 9.536 . 22.20675349240 . . . . . . . . . . 1 25839 14
71 2 18.553 . 72.10616329430 . . . . . . . . . . 1 25839 14
71 3 128.393 . 23.14146905280 . . . . . . . . . . 1 25839 14
72 1 7.178 . 11.78443431850 . . . . . . . . . . 1 25839 14
72 2 22.955 . 73.62134730290 . . . . . . . . . . 1 25839 14
72 3 116.195 . 25.69403387690 . . . . . . . . . . 1 25839 14
73 1 7.177 . 11.29955053330 . . . . . . . . . . 1 25839 14
73 2 25.297 . 70.38724572800 . . . . . . . . . . 1 25839 14
73 3 116.210 . 24.41738461160 . . . . . . . . . . 1 25839 14
74 1 8.588 . 29.14547920230 . . . . . . . . . . 1 25839 14
74 2 60.272 . 78.93950150410 . . . . . . . . . . 1 25839 14
74 3 118.879 . 17.01236030640 . . . . . . . . . . 1 25839 14
75 1 8.578 . 26.69513225560 . . . . . . . . . . 1 25839 14
75 2 32.067 . 45.96283030890 . . . . . . . . . . 1 25839 14
75 3 118.925 . 23.15953657470 . . . . . . . . . . 1 25839 14
76 1 9.249 . 12.93003559110 . . . . . . . . . . 1 25839 14
76 2 34.103 . 52.56663095900 . . . . . . . . . . 1 25839 14
76 3 127.543 . 13.25452209990 . . . . . . . . . . 1 25839 14
77 1 9.557 . 8.17358493805 . . . . . . . . . . 1 25839 14
77 2 26.787 . 60.78478393890 . . . . . . . . . . 1 25839 14
77 3 119.731 . 25.02342615940 . . . . . . . . . . 1 25839 14
78 1 9.540 . 32.30497241020 . . . . . . . . . . 1 25839 14
78 2 10.506 . 91.75228470950 . . . . . . . . . . 1 25839 14
78 3 128.422 . 28.96904736660 . . . . . . . . . . 1 25839 14
80 1 8.198 . 23.37306737900 . . . . . . . . . . 1 25839 14
80 2 33.577 . 89.53820015190 . . . . . . . . . . 1 25839 14
80 3 112.430 . 24.23670939230 . . . . . . . . . . 1 25839 14
81 1 8.200 . 18.39488744740 . . . . . . . . . . 1 25839 14
81 2 42.339 . 56.27970877890 . . . . . . . . . . 1 25839 14
81 3 112.417 . 25.37505498720 . . . . . . . . . . 1 25839 14
82 1 8.261 . 31.77970647810 . . . . . . . . . . 1 25839 14
82 2 30.349 . 60.77264087920 . . . . . . . . . . 1 25839 14
82 3 120.033 . 12.97202217900 . . . . . . . . . . 1 25839 14
83 1 8.263 . 36.14634275440 . . . . . . . . . . 1 25839 14
83 2 36.400 . 74.12730812500 . . . . . . . . . . 1 25839 14
83 3 120.027 . 13.21336575240 . . . . . . . . . . 1 25839 14
84 1 8.263 . 33.49334001540 . . . . . . . . . . 1 25839 14
84 2 56.933 . 61.44995376630 . . . . . . . . . . 1 25839 14
84 3 120.028 . 13.32410957340 . . . . . . . . . . 1 25839 14
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 . . 8.575 . . 1 . 1 1 9 ASP H . . . . . . . . . . 37 . 25839 14
1 2 1 . . 24.747 . . 1 . 1 1 8 LYS CG . . . . . . . . . . 1437 . 25839 14
1 3 1 . . 113.928 . . 1 . 1 1 9 ASP N . . . . . . . . . . 38 . 25839 14
2 1 1 . . 8.579 . . 1 . 1 1 9 ASP H . . . . . . . . . . 37 . 25839 14
2 2 1 . . 29.745 . . 1 . 1 1 8 LYS CD . . . . . . . . . . 1441 . 25839 14
2 3 1 . . 113.962 . . 1 . 1 1 9 ASP N . . . . . . . . . . 38 . 25839 14
3 1 1 . . 8.221 . . 1 . 1 1 14 LEU H . . . . . . . . . . 122 . 25839 14
3 2 1 . . 25.096 . . 1 . 1 1 13 LYS CG . . . . . . . . . . 1442 . 25839 14
3 3 1 . . 125.972 . . 1 . 1 1 14 LEU N . . . . . . . . . . 123 . 25839 14
4 1 1 . . 8.221 . . 1 . 1 1 14 LEU H . . . . . . . . . . 122 . 25839 14
4 2 1 . . 29.404 . . 1 . 1 1 13 LYS CD . . . . . . . . . . 1443 . 25839 14
4 3 1 . . 125.970 . . 1 . 1 1 14 LEU N . . . . . . . . . . 123 . 25839 14
5 1 1 . . 8.244 . . 1 . 1 1 25 ASP H . . . . . . . . . . 182 . 25839 14
5 2 3 . . 24.495 . . 1 . 1 1 24 LYS CG . . . . . . . . . . 1415 . 25839 14
5 3 1 . . 121.604 . . 1 . 1 1 25 ASP N . . . . . . . . . . 183 . 25839 14
6 1 1 . . 8.246 . . 1 . 1 1 25 ASP H . . . . . . . . . . 182 . 25839 14
6 2 1 . . 29.151 . . 1 . 1 1 24 LYS CD . . . . . . . . . . 1447 . 25839 14
6 3 1 . . 121.614 . . 1 . 1 1 25 ASP N . . . . . . . . . . 183 . 25839 14
7 1 1 . . 7.793 . . 1 . 1 1 38 THR H . . . . . . . . . . 17 . 25839 14
7 2 1 . . 25.324 . . 1 . 1 1 37 LYS CG . . . . . . . . . . 1450 . 25839 14
7 3 1 . . 111.146 . . 1 . 1 1 38 THR N . . . . . . . . . . 18 . 25839 14
8 1 1 . . 7.794 . . 1 . 1 1 38 THR H . . . . . . . . . . 17 . 25839 14
8 2 2 . . 29.295 . . 1 . 1 1 37 LYS CD . . . . . . . . . . 1451 . 25839 14
8 3 1 . . 111.142 . . 1 . 1 1 38 THR N . . . . . . . . . . 18 . 25839 14
9 1 1 . . 7.009 . . 1 . 1 1 46 VAL H . . . . . . . . . . 266 . 25839 14
9 2 1 . . 25.404 . . 1 . 1 1 45 LYS CG . . . . . . . . . . 1336 . 25839 14
9 3 1 . . 108.191 . . 1 . 1 1 46 VAL N . . . . . . . . . . 539 . 25839 14
10 1 1 . . 7.010 . . 1 . 1 1 46 VAL H . . . . . . . . . . 266 . 25839 14
10 2 1 . . 28.820 . . 1 . 1 1 45 LYS CD . . . . . . . . . . 1189 . 25839 14
10 3 1 . . 108.195 . . 1 . 1 1 46 VAL N . . . . . . . . . . 539 . 25839 14
11 1 1 . . 8.389 . . 1 . 1 1 68 GLU H . . . . . . . . . . 60 . 25839 14
11 2 1 . . 25.875 . . 1 . 1 1 67 LYS CG . . . . . . . . . . 1457 . 25839 14
11 3 1 . . 116.919 . . 1 . 1 1 68 GLU N . . . . . . . . . . 61 . 25839 14
12 1 1 . . 8.388 . . 1 . 1 1 68 GLU H . . . . . . . . . . 60 . 25839 14
12 2 1 . . 29.663 . . 1 . 1 1 67 LYS CD . . . . . . . . . . 1458 . 25839 14
12 3 1 . . 117.049 . . 1 . 1 1 68 GLU N . . . . . . . . . . 61 . 25839 14
13 1 1 . . 8.203 . . 1 . 1 1 89 THR H . . . . . . . . . . 72 . 25839 14
13 2 1 . . 25.353 . . 1 . 1 1 88 LYS CG . . . . . . . . . . 1459 . 25839 14
13 3 1 . . 112.369 . . 1 . 1 1 89 THR N . . . . . . . . . . 73 . 25839 14
14 1 1 . . 8.204 . . 1 . 1 1 89 THR H . . . . . . . . . . 72 . 25839 14
14 2 1 . . 29.169 . . 1 . 1 1 88 LYS CD . . . . . . . . . . 1460 . 25839 14
14 3 1 . . 112.396 . . 1 . 1 1 89 THR N . . . . . . . . . . 73 . 25839 14
15 1 1 . . 8.745 . . 1 . 1 1 103 SER H . . . . . . . . . . 54 . 25839 14
15 2 1 . . 24.204 . . 1 . 1 1 102 LYS CG . . . . . . . . . . 1464 . 25839 14
15 3 1 . . 116.217 . . 1 . 1 1 103 SER N . . . . . . . . . . 55 . 25839 14
16 1 1 . . 8.750 . . 1 . 1 1 103 SER H . . . . . . . . . . 54 . 25839 14
16 2 1 . . 28.601 . . 1 . 1 1 102 LYS CD . . . . . . . . . . 1465 . 25839 14
16 3 1 . . 116.102 . . 1 . 1 1 103 SER N . . . . . . . . . . 55 . 25839 14
17 1 1 . . 8.744 . . 1 . 1 1 103 SER H . . . . . . . . . . 54 . 25839 14
17 2 2 . . 42.262 . . 1 . 1 1 102 LYS CE . . . . . . . . . . 1466 . 25839 14
17 3 1 . . 116.214 . . 1 . 1 1 103 SER N . . . . . . . . . . 55 . 25839 14
18 1 1 . . 7.387 . . 1 . 1 1 134 SER H . . . . . . . . . . 284 . 25839 14
18 2 1 . . 42.586 . . 1 . 1 1 133 LYS CE . . . . . . . . . . 1110 . 25839 14
18 3 1 . . 111.170 . . 1 . 1 1 134 SER N . . . . . . . . . . 285 . 25839 14
19 1 1 . . 7.388 . . 1 . 1 1 134 SER H . . . . . . . . . . 284 . 25839 14
19 2 1 . . 25.550 . . 1 . 1 1 133 LYS CG . . . . . . . . . . 1107 . 25839 14
19 3 1 . . 111.157 . . 1 . 1 1 134 SER N . . . . . . . . . . 285 . 25839 14
20 1 1 . . 7.390 . . 1 . 1 1 134 SER H . . . . . . . . . . 284 . 25839 14
20 2 1 . . 28.849 . . 1 . 1 1 133 LYS CD . . . . . . . . . . 1105 . 25839 14
20 3 1 . . 111.160 . . 1 . 1 1 134 SER N . . . . . . . . . . 285 . 25839 14
21 1 1 . . 6.747 . . 1 . 1 1 138 ILE H . . . . . . . . . . 89 . 25839 14
21 2 1 . . 25.012 . . 1 . 1 1 137 LYS CG . . . . . . . . . . 1469 . 25839 14
21 3 1 . . 113.128 . . 1 . 1 1 138 ILE N . . . . . . . . . . 90 . 25839 14
22 1 1 . . 6.746 . . 1 . 1 1 138 ILE H . . . . . . . . . . 89 . 25839 14
22 2 1 . . 28.475 . . 1 . 1 1 137 LYS CD . . . . . . . . . . 1472 . 25839 14
22 3 1 . . 113.141 . . 1 . 1 1 138 ILE N . . . . . . . . . . 90 . 25839 14
23 1 1 . . 8.445 . . 1 . 1 1 42 ASP H . . . . . . . . . . 161 . 25839 14
23 2 1 . . 27.964 . . 1 . 1 1 41 PRO CG . . . . . . . . . . 1474 . 25839 14
23 3 1 . . 111.743 . . 1 . 1 1 42 ASP N . . . . . . . . . . 162 . 25839 14
24 1 1 . . 8.458 . . 1 . 1 1 42 ASP H . . . . . . . . . . 161 . 25839 14
24 2 1 . . 32.046 . . 1 . 1 1 41 PRO CB . . . . . . . . . . 543 . 25839 14
24 3 1 . . 111.748 . . 1 . 1 1 42 ASP N . . . . . . . . . . 162 . 25839 14
25 1 1 . . 8.364 . . 1 . 1 1 93 ALA H . . . . . . . . . . 9 . 25839 14
25 2 1 . . 27.430 . . 1 . 1 1 92 PRO CG . . . . . . . . . . 1370 . 25839 14
25 3 1 . . 125.381 . . 1 . 1 1 93 ALA N . . . . . . . . . . 10 . 25839 14
26 1 1 . . 8.364 . . 1 . 1 1 93 ALA H . . . . . . . . . . 9 . 25839 14
26 2 1 . . 51.094 . . 1 . 1 1 92 PRO CD . . . . . . . . . . 1272 . 25839 14
26 3 1 . . 125.388 . . 1 . 1 1 93 ALA N . . . . . . . . . . 10 . 25839 14
27 1 1 . . 8.363 . . 1 . 1 1 93 ALA H . . . . . . . . . . 9 . 25839 14
27 2 1 . . 32.010 . . 1 . 1 1 92 PRO CB . . . . . . . . . . 636 . 25839 14
27 3 1 . . 125.382 . . 1 . 1 1 93 ALA N . . . . . . . . . . 10 . 25839 14
28 1 1 . . 8.364 . . 1 . 1 1 93 ALA H . . . . . . . . . . 9 . 25839 14
28 2 1 . . 63.396 . . 1 . 1 1 92 PRO CA . . . . . . . . . . 637 . 25839 14
28 3 1 . . 125.384 . . 1 . 1 1 93 ALA N . . . . . . . . . . 10 . 25839 14
29 1 1 . . 9.013 . . 1 . 1 1 141 GLY H . . . . . . . . . . 78 . 25839 14
29 2 1 . . 28.593 . . 1 . 1 1 140 PRO CG . . . . . . . . . . 1476 . 25839 14
29 3 1 . . 113.457 . . 1 . 1 1 141 GLY N . . . . . . . . . . 79 . 25839 14
30 1 1 . . 9.176 . . 1 . 1 1 4 PHE H . . . . . . . . . . 136 . 25839 14
30 2 1 . . 44.349 . . 1 . 1 1 3 LEU CB . . . . . . . . . . 1195 . 25839 14
30 3 1 . . 123.570 . . 1 . 1 1 4 PHE N . . . . . . . . . . 137 . 25839 14
31 1 1 . . 9.176 . . 1 . 1 1 4 PHE H . . . . . . . . . . 136 . 25839 14
31 2 1 . . 54.660 . . 1 . 1 1 3 LEU CA . . . . . . . . . . 727 . 25839 14
31 3 1 . . 123.568 . . 1 . 1 1 4 PHE N . . . . . . . . . . 137 . 25839 14
32 1 1 . . 9.175 . . 1 . 1 1 4 PHE H . . . . . . . . . . 136 . 25839 14
32 2 1 . . 27.585 . . 1 . 1 1 3 LEU CG . . . . . . . . . . 1477 . 25839 14
32 3 1 . . 123.572 . . 1 . 1 1 4 PHE N . . . . . . . . . . 137 . 25839 14
33 1 1 . . 9.174 . . 1 . 1 1 4 PHE H . . . . . . . . . . 136 . 25839 14
33 2 1 . . 24.482 . . 1 . 1 1 3 LEU CD2 . . . . . . . . . . 1120 . 25839 14
33 3 1 . . 123.569 . . 1 . 1 1 4 PHE N . . . . . . . . . . 137 . 25839 14
34 1 1 . . 8.758 . . 1 . 1 1 148 GLU H . . . . . . . . . . 598 . 25839 14
34 2 1 . . 32.519 . . 1 . 1 1 147 PRO CB . . . . . . . . . . 633 . 25839 14
34 3 1 . . 122.666 . . 1 . 1 1 148 GLU N . . . . . . . . . . 599 . 25839 14
35 1 1 . . 8.757 . . 1 . 1 1 148 GLU H . . . . . . . . . . 598 . 25839 14
35 2 1 . . 62.485 . . 1 . 1 1 147 PRO CA . . . . . . . . . . 634 . 25839 14
35 3 1 . . 122.594 . . 1 . 1 1 148 GLU N . . . . . . . . . . 599 . 25839 14
37 1 1 . . 8.505 . . 1 . 1 1 131 MET H . . . . . . . . . . 186 . 25839 14
37 2 1 . . 62.928 . . 1 . 1 1 130 PRO CA . . . . . . . . . . 607 . 25839 14
37 3 1 . . 124.942 . . 1 . 1 1 131 MET N . . . . . . . . . . 187 . 25839 14
38 1 1 . . 8.503 . . 1 . 1 1 131 MET H . . . . . . . . . . 186 . 25839 14
38 2 1 . . 34.130 . . 1 . 1 1 130 PRO CB . . . . . . . . . . 606 . 25839 14
38 3 1 . . 124.936 . . 1 . 1 1 131 MET N . . . . . . . . . . 187 . 25839 14
39 1 1 . . 8.501 . . 1 . 1 1 131 MET H . . . . . . . . . . 186 . 25839 14
39 2 1 . . 24.284 . . 1 . 1 1 130 PRO CG . . . . . . . . . . 1181 . 25839 14
39 3 1 . . 124.968 . . 1 . 1 1 131 MET N . . . . . . . . . . 187 . 25839 14
40 1 1 . . 8.455 . . 1 . 1 1 42 ASP H . . . . . . . . . . 161 . 25839 14
40 2 1 . . 63.652 . . 1 . 1 1 41 PRO CA . . . . . . . . . . 542 . 25839 14
40 3 1 . . 111.755 . . 1 . 1 1 42 ASP N . . . . . . . . . . 162 . 25839 14
41 1 1 . . 8.639 . . 1 . 1 1 13 LYS H . . . . . . . . . . 107 . 25839 14
41 2 1 . . 30.245 . . 1 . 1 1 12 GLU CB . . . . . . . . . . 305 . 25839 14
41 3 1 . . 126.537 . . 1 . 1 1 13 LYS N . . . . . . . . . . 108 . 25839 14
42 1 1 . . 8.641 . . 1 . 1 1 13 LYS H . . . . . . . . . . 107 . 25839 14
42 2 1 . . 56.625 . . 1 . 1 1 12 GLU CA . . . . . . . . . . 1062 . 25839 14
42 3 1 . . 126.494 . . 1 . 1 1 13 LYS N . . . . . . . . . . 108 . 25839 14
43 1 1 . . 8.640 . . 1 . 1 1 13 LYS H . . . . . . . . . . 107 . 25839 14
43 2 1 . . 35.595 . . 1 . 1 1 12 GLU CG . . . . . . . . . . 1060 . 25839 14
43 3 1 . . 126.494 . . 1 . 1 1 13 LYS N . . . . . . . . . . 108 . 25839 14
44 1 1 . . 8.316 . . 1 . 1 1 19 THR H . . . . . . . . . . 275 . 25839 14
44 2 1 . . 21.106 . . 1 . 1 1 18 VAL CG1 . . . . . . . . . . 1596 . 25839 14
44 3 1 . . 114.849 . . 1 . 1 1 19 THR N . . . . . . . . . . 86 . 25839 14
45 1 1 . . 8.275 . . 1 . 1 1 20 GLY H . . . . . . . . . . 180 . 25839 14
45 2 2 . . 21.813 . . 1 . 1 1 19 THR CG2 . . . . . . . . . . 993 . 25839 14
45 3 1 . . 111.003 . . 1 . 1 1 20 GLY N . . . . . . . . . . 181 . 25839 14
46 1 1 . . 8.485 . . 1 . 1 1 31 VAL H . . . . . . . . . . 35 . 25839 14
46 3 1 . . 121.027 . . 1 . 1 1 31 VAL N . . . . . . . . . . 36 . 25839 14
47 1 1 . . 8.490 . . 1 . 1 1 31 VAL H . . . . . . . . . . 35 . 25839 14
47 3 1 . . 121.019 . . 1 . 1 1 31 VAL N . . . . . . . . . . 36 . 25839 14
48 1 1 . . 7.900 . . 1 . 1 1 36 ASN H . . . . . . . . . . 176 . 25839 14
48 2 1 . . 58.450 . . 1 . 1 1 35 LEU CA . . . . . . . . . . 486 . 25839 14
48 3 1 . . 116.866 . . 1 . 1 1 36 ASN N . . . . . . . . . . 177 . 25839 14
49 1 1 . . 7.902 . . 1 . 1 1 36 ASN H . . . . . . . . . . 176 . 25839 14
49 2 1 . . 41.624 . . 1 . 1 1 35 LEU CB . . . . . . . . . . 387 . 25839 14
49 3 1 . . 116.815 . . 1 . 1 1 36 ASN N . . . . . . . . . . 177 . 25839 14
50 1 1 . . 7.900 . . 1 . 1 1 36 ASN H . . . . . . . . . . 176 . 25839 14
50 2 1 . . 25.374 . . 1 . 1 1 35 LEU CD1 . . . . . . . . . . 1170 . 25839 14
50 3 1 . . 116.868 . . 1 . 1 1 36 ASN N . . . . . . . . . . 177 . 25839 14
51 1 1 . . 9.023 . . 1 . 1 1 50 ILE H . . . . . . . . . . 212 . 25839 14
51 2 1 . . 32.666 . . 1 . 1 1 49 GLN CB . . . . . . . . . . 520 . 25839 14
51 3 1 . . 123.193 . . 1 . 1 1 50 ILE N . . . . . . . . . . 213 . 25839 14
52 1 1 . . 9.024 . . 1 . 1 1 50 ILE H . . . . . . . . . . 212 . 25839 14
52 2 1 . . 54.585 . . 1 . 1 1 49 GLN CA . . . . . . . . . . 519 . 25839 14
52 3 1 . . 123.200 . . 1 . 1 1 50 ILE N . . . . . . . . . . 213 . 25839 14
53 1 1 . . 9.024 . . 1 . 1 1 50 ILE H . . . . . . . . . . 212 . 25839 14
53 2 1 . . 34.119 . . 1 . 1 1 49 GLN CG . . . . . . . . . . 1237 . 25839 14
53 3 1 . . 123.200 . . 1 . 1 1 50 ILE N . . . . . . . . . . 213 . 25839 14
54 1 1 . . 8.469 . . 1 . 1 1 57 VAL H . . . . . . . . . . 132 . 25839 14
54 2 1 . . 21.174 . . 1 . 1 1 56 THR CG2 . . . . . . . . . . 1072 . 25839 14
54 3 1 . . 128.526 . . 1 . 1 1 57 VAL N . . . . . . . . . . 133 . 25839 14
55 1 1 . . 8.518 . . 1 . 1 1 63 SER H . . . . . . . . . . 447 . 25839 14
55 3 1 . . 115.883 . . 1 . 1 1 63 SER N . . . . . . . . . . 448 . 25839 14
56 1 1 . . 8.518 . . 1 . 1 1 63 SER H . . . . . . . . . . 447 . 25839 14
56 2 2 . . 29.700 . . 1 . 1 1 62 LEU CG . . . . . . . . . . 1489 . 25839 14
56 3 1 . . 115.880 . . 1 . 1 1 63 SER N . . . . . . . . . . 448 . 25839 14
57 1 1 . . 8.462 . . 1 . 1 1 65 GLU H . . . . . . . . . . 280 . 25839 14
57 2 1 . . 59.343 . . 1 . 1 1 64 GLN CA . . . . . . . . . . 316 . 25839 14
57 3 1 . . 118.067 . . 1 . 1 1 65 GLU N . . . . . . . . . . 281 . 25839 14
58 1 1 . . 8.464 . . 1 . 1 1 65 GLU H . . . . . . . . . . 280 . 25839 14
58 2 1 . . 27.626 . . 1 . 1 1 64 GLN CB . . . . . . . . . . 458 . 25839 14
58 3 1 . . 118.073 . . 1 . 1 1 65 GLU N . . . . . . . . . . 281 . 25839 14
59 1 1 . . 8.462 . . 1 . 1 1 65 GLU H . . . . . . . . . . 280 . 25839 14
59 2 1 . . 31.743 . . 1 . 1 1 64 GLN CG . . . . . . . . . . 1493 . 25839 14
59 3 1 . . 118.068 . . 1 . 1 1 65 GLU N . . . . . . . . . . 281 . 25839 14
60 1 1 . . 7.084 . . 1 . 1 1 15 TRP H . . . . . . . . . . 3 . 25839 14
60 2 1 . . 54.314 . . 1 . 1 1 14 LEU CA . . . . . . . . . . 301 . 25839 14
60 3 1 . . 114.325 . . 1 . 1 1 15 TRP N . . . . . . . . . . 4 . 25839 14
61 1 1 . . 7.088 . . 1 . 1 1 15 TRP H . . . . . . . . . . 3 . 25839 14
61 3 1 . . 114.349 . . 1 . 1 1 15 TRP N . . . . . . . . . . 4 . 25839 14
62 1 1 . . 7.089 . . 1 . 1 1 15 TRP H . . . . . . . . . . 3 . 25839 14
62 2 1 . . 22.038 . . 1 . 1 1 14 LEU CD1 . . . . . . . . . . 1055 . 25839 14
62 3 1 . . 114.344 . . 1 . 1 1 15 TRP N . . . . . . . . . . 4 . 25839 14
63 1 1 . . 7.085 . . 1 . 1 1 15 TRP H . . . . . . . . . . 3 . 25839 14
63 2 1 . . 26.265 . . 1 . 1 1 14 LEU CD2 . . . . . . . . . . 1052 . 25839 14
63 3 1 . . 114.332 . . 1 . 1 1 15 TRP N . . . . . . . . . . 4 . 25839 14
64 1 1 . . 8.983 . . 1 . 1 1 64 GLN H . . . . . . . . . . 140 . 25839 14
64 2 1 . . 57.246 . . 1 . 1 1 63 SER CA . . . . . . . . . . 450 . 25839 14
64 3 1 . . 122.868 . . 1 . 1 1 64 GLN N . . . . . . . . . . 141 . 25839 14
65 1 1 . . 8.044 . . 1 . 1 1 69 LYS H . . . . . . . . . . 210 . 25839 14
65 2 1 . . 60.529 . . 1 . 1 1 68 GLU CA . . . . . . . . . . 352 . 25839 14
65 3 1 . . 116.067 . . 1 . 1 1 69 LYS N . . . . . . . . . . 211 . 25839 14
66 1 1 . . 8.051 . . 1 . 1 1 69 LYS H . . . . . . . . . . 210 . 25839 14
66 2 1 . . 30.851 . . 1 . 1 1 68 GLU CB . . . . . . . . . . 351 . 25839 14
66 3 1 . . 116.075 . . 1 . 1 1 69 LYS N . . . . . . . . . . 211 . 25839 14
67 1 1 . . 8.039 . . 1 . 1 1 69 LYS H . . . . . . . . . . 210 . 25839 14
67 2 1 . . 36.787 . . 1 . 1 1 68 GLU CG . . . . . . . . . . 1499 . 25839 14
67 3 2 . . 116.069 . . 1 . 1 1 69 LYS N . . . . . . . . . . 211 . 25839 14
68 1 1 . . 8.028 . . 1 . 1 1 70 ILE H . . . . . . . . . . 248 . 25839 14
68 2 1 . . 60.790 . . 1 . 1 1 69 LYS CA . . . . . . . . . . 377 . 25839 14
68 3 1 . . 119.979 . . 1 . 1 1 70 ILE N . . . . . . . . . . 249 . 25839 14
69 1 1 . . 8.026 . . 1 . 1 1 70 ILE H . . . . . . . . . . 248 . 25839 14
69 2 1 . . 32.996 . . 1 . 1 1 69 LYS CB . . . . . . . . . . 378 . 25839 14
69 3 1 . . 119.991 . . 1 . 1 1 70 ILE N . . . . . . . . . . 249 . 25839 14
70 1 1 . . 8.020 . . 1 . 1 1 70 ILE H . . . . . . . . . . 248 . 25839 14
70 3 1 . . 120.008 . . 1 . 1 1 70 ILE N . . . . . . . . . . 249 . 25839 14
71 1 1 . . 9.536 . . 1 . 1 1 81 ALA H . . . . . . . . . . 111 . 25839 14
71 2 1 . . 18.553 . . 1 . 1 1 80 ILE CG2 . . . . . . . . . . 1159 . 25839 14
71 3 1 . . 128.393 . . 1 . 1 1 81 ALA N . . . . . . . . . . 112 . 25839 14
72 1 1 . . 7.178 . . 1 . 1 1 121 TYR H . . . . . . . . . . 144 . 25839 14
72 2 1 . . 22.955 . . 1 . 1 1 120 LEU CD2 . . . . . . . . . . 1167 . 25839 14
72 3 1 . . 116.195 . . 1 . 1 1 121 TYR N . . . . . . . . . . 145 . 25839 14
73 1 1 . . 7.177 . . 1 . 1 1 121 TYR H . . . . . . . . . . 144 . 25839 14
73 2 1 . . 25.297 . . 1 . 1 1 120 LEU CD1 . . . . . . . . . . 1099 . 25839 14
73 3 1 . . 116.210 . . 1 . 1 1 121 TYR N . . . . . . . . . . 145 . 25839 14
74 1 2 . . 8.588 . . 1 . 1 1 132 LEU H . . . . . . . . . . 465 . 25839 14
74 2 1 . . 60.272 . . 1 . 1 1 131 MET CA . . . . . . . . . . 609 . 25839 14
74 3 1 . . 118.879 . . 1 . 1 1 132 LEU N . . . . . . . . . . 466 . 25839 14
75 1 1 . . 8.578 . . 1 . 1 1 132 LEU H . . . . . . . . . . 465 . 25839 14
75 3 1 . . 118.925 . . 1 . 1 1 132 LEU N . . . . . . . . . . 466 . 25839 14
76 1 1 . . 9.249 . . 1 . 1 1 143 VAL H . . . . . . . . . . 13 . 25839 14
76 2 1 . . 34.103 . . 1 . 1 1 142 GLN CG . . . . . . . . . . 1515 . 25839 14
76 3 1 . . 127.543 . . 1 . 1 1 143 VAL N . . . . . . . . . . 14 . 25839 14
77 1 1 . . 9.557 . . 1 . 1 1 145 ARG H . . . . . . . . . . 119 . 25839 14
77 3 1 . . 119.731 . . 1 . 1 1 145 ARG N . . . . . . . . . . 120 . 25839 14
78 1 1 . . 9.540 . . 1 . 1 1 81 ALA H . . . . . . . . . . 111 . 25839 14
78 2 1 . . 10.506 . . 1 . 1 1 80 ILE CD1 . . . . . . . . . . 1143 . 25839 14
78 3 1 . . 128.422 . . 1 . 1 1 81 ALA N . . . . . . . . . . 112 . 25839 14
80 1 1 . . 8.198 . . 1 . 1 1 89 THR H . . . . . . . . . . 72 . 25839 14
80 2 1 . . 33.577 . . 1 . 1 1 88 LYS CB . . . . . . . . . . 414 . 25839 14
80 3 1 . . 112.430 . . 1 . 1 1 89 THR N . . . . . . . . . . 73 . 25839 14
81 1 1 . . 8.200 . . 1 . 1 1 89 THR H . . . . . . . . . . 72 . 25839 14
81 3 1 . . 112.417 . . 1 . 1 1 89 THR N . . . . . . . . . . 73 . 25839 14
82 1 1 . . 8.261 . . 1 . 1 1 152 HIS H . . . . . . . . . . 689 . 25839 14
82 2 1 . . 30.349 . . 1 . 1 1 152 HIS CB . . . . . . . . . . 1755 . 25839 14
82 3 1 . . 120.033 . . 1 . 1 1 152 HIS N . . . . . . . . . . 690 . 25839 14
83 1 1 . . 8.263 . . 1 . 1 1 152 HIS H . . . . . . . . . . 689 . 25839 14
83 2 1 . . 36.400 . . 1 . 1 1 151 GLU CG . . . . . . . . . . 1049 . 25839 14
83 3 1 . . 120.027 . . 1 . 1 1 152 HIS N . . . . . . . . . . 690 . 25839 14
84 1 1 . . 8.263 . . 1 . 1 1 152 HIS H . . . . . . . . . . 689 . 25839 14
84 2 1 . . 56.933 . . 1 . 1 1 151 GLU CA . . . . . . . . . . 675 . 25839 14
84 3 1 . . 120.028 . . 1 . 1 1 152 HIS N . . . . . . . . . . 690 . 25839 14
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