Content for NMR-STAR saveframe, "spectral_peak_list_1"
save_spectral_peak_list_1
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_1
_Spectral_peak_list.Entry_ID 27927
_Spectral_peak_list.ID 1
_Spectral_peak_list.Name .
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $sample_1
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
_Spectral_peak_list.Chem_shift_reference_ID .
_Spectral_peak_list.Chem_shift_reference_label .
_Spectral_peak_list.Experiment_ID 1
_Spectral_peak_list.Experiment_name '2D 1H-1H TOCSY'
_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 .
_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 . . 9803.92156863 . . . . . . . 27927 1
2 . . H 1 1H . . 9803.40625225 . . . . . . . 27927 1
stop_
loop_
_Peak.ID
_Peak.Figure_of_merit
_Peak.Restraint
_Peak.Details
_Peak.Entry_ID
_Peak.Spectral_peak_list_ID
1 1.0 . . 27927 1
2 1.0 . . 27927 1
3 1.0 . . 27927 1
4 1.0 . . 27927 1
5 1.0 . . 27927 1
6 1.0 . . 27927 1
7 1.0 . . 27927 1
8 1.0 . . 27927 1
9 1.0 . . 27927 1
10 1.0 . . 27927 1
11 1.0 . . 27927 1
12 1.0 . . 27927 1
13 1.0 . . 27927 1
14 1.0 . . 27927 1
15 1.0 . . 27927 1
16 1.0 . . 27927 1
17 1.0 . . 27927 1
18 1.0 . . 27927 1
19 1.0 . . 27927 1
20 1.0 . . 27927 1
21 1.0 . . 27927 1
22 1.0 . . 27927 1
23 1.0 . . 27927 1
24 1.0 . . 27927 1
25 1.0 . . 27927 1
26 1.0 . . 27927 1
27 1.0 . . 27927 1
28 1.0 . . 27927 1
29 1.0 . . 27927 1
30 1.0 . . 27927 1
31 1.0 . . 27927 1
32 1.0 . . 27927 1
33 1.0 . . 27927 1
34 1.0 . . 27927 1
35 1.0 . . 27927 1
36 1.0 . . 27927 1
37 1.0 . . 27927 1
38 1.0 . . 27927 1
39 1.0 . . 27927 1
40 1.0 . . 27927 1
41 1.0 . . 27927 1
42 1.0 . . 27927 1
43 1.0 . . 27927 1
44 1.0 . . 27927 1
45 1.0 . . 27927 1
46 1.0 . . 27927 1
47 1.0 . . 27927 1
48 1.0 . . 27927 1
49 1.0 . . 27927 1
50 1.0 . . 27927 1
51 1.0 . . 27927 1
52 1.0 . . 27927 1
53 1.0 . . 27927 1
54 1.0 . . 27927 1
55 1.0 . . 27927 1
56 1.0 . . 27927 1
57 1.0 . . 27927 1
58 1.0 . . 27927 1
59 1.0 . . 27927 1
60 1.0 . . 27927 1
61 1.0 . . 27927 1
62 1.0 . . 27927 1
63 1.0 . . 27927 1
64 1.0 . . 27927 1
stop_
loop_
_Peak_general_char.Peak_ID
_Peak_general_char.Intensity_val
_Peak_general_char.Intensity_val_err
_Peak_general_char.Measurement_method
_Peak_general_char.Entry_ID
_Peak_general_char.Spectral_peak_list_ID
1 63525.500 . height 27927 1
1 503556.500 . volume 27927 1
2 25591.000 . height 27927 1
2 207704.500 . volume 27927 1
3 49448.125 . height 27927 1
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4 30724.625 . height 27927 1
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5 59187.000 . height 27927 1
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6 13186.875 . height 27927 1
6 103435.500 . volume 27927 1
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7 134563.500 . volume 27927 1
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8 1101633.875 . volume 27927 1
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27 1000924.000 . volume 27927 1
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30 31438.500 . height 27927 1
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31 26840.375 . height 27927 1
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32 52745.000 . height 27927 1
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51 441297.000 . height 27927 1
51 3479574.500 . volume 27927 1
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53 320611.500 . height 27927 1
53 2675122.875 . volume 27927 1
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57 354455.500 . height 27927 1
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64 1552367.250 . volume 27927 1
stop_
loop_
_Peak_char.Peak_ID
_Peak_char.Spectral_dim_ID
_Peak_char.Chem_shift_val
_Peak_char.Chem_shift_val_err
_Peak_char.Line_width_val
_Peak_char.Line_width_val_err
_Peak_char.Phase_val
_Peak_char.Phase_val_err
_Peak_char.Decay_rate_val
_Peak_char.Decay_rate_val_err
_Peak_char.Coupling_pattern
_Peak_char.Bounding_box_upper_val
_Peak_char.Bounding_box_lower_val
_Peak_char.Bounding_box_range_val
_Peak_char.Details
_Peak_char.Derivation_method_ID
_Peak_char.Entry_ID
_Peak_char.Spectral_peak_list_ID
1 1 8.942 . 21.2816338913 . . . . . . . . . . . 27927 1
1 2 4.247 . 77.6899863287 . . . . . . . . . . . 27927 1
2 1 8.943 . 21.2984342201 . . . . . . . . . . . 27927 1
2 2 3.040 . 88.6549115180 . . . . . . . . . . . 27927 1
3 1 8.941 . 22.3442912102 . . . . . . . . . . . 27927 1
3 2 1.816 . 98.0228667876 . . . . . . . . . . . 27927 1
4 1 8.941 . 22.3945461068 . . . . . . . . . . . 27927 1
4 2 1.548 . 88.6706883888 . . . . . . . . . . . 27927 1
5 1 8.754 . 23.8532529158 . . . . . . . . . . . 27927 1
5 2 4.237 . 80.8669806402 . . . . . . . . . . . 27927 1
6 1 8.754 . 25.0107225250 . . . . . . . . . . . 27927 1
6 2 1.820 . 72.1020524314 . . . . . . . . . . . 27927 1
7 1 8.751 . 18.3665577103 . . . . . . . . . . . 27927 1
7 2 1.004 . 92.8013068893 . . . . . . . . . . . 27927 1
8 1 8.338 . 23.4503372043 . . . . . . . . . . . 27927 1
8 2 4.387 . 92.3268321089 . . . . . . . . . . . 27927 1
9 1 8.325 . 48.8170806099 . . . . . . . . . . . 27927 1
9 2 4.015 . 84.1053294491 . . . . . . . . . . . 27927 1
10 1 8.337 . 26.2348090901 . . . . . . . . . . . 27927 1
10 2 2.651 . 99.2306738947 . . . . . . . . . . . 27927 1
11 1 8.346 . 137.1356786470 . . . . . . . . . . . 27927 1
11 2 1.661 . 115.9979815580 . . . . . . . . . . . 27927 1
12 1 8.310 . 67.6365167487 . . . . . . . . . . . 27927 1
12 2 4.280 . 173.9633734460 . . . . . . . . . . . 27927 1
13 1 8.310 . 57.1487288849 . . . . . . . . . . . 27927 1
13 2 2.394 . 333.7351594640 . . . . . . . . . . . 27927 1
14 1 8.310 . 64.5765194706 . . . . . . . . . . . 27927 1
14 2 2.046 . 365.1480778360 . . . . . . . . . . . 27927 1
15 1 8.246 . 29.0886736384 . . . . . . . . . . . 27927 1
15 2 3.020 . 156.3768371590 . . . . . . . . . . . 27927 1
16 1 8.247 . 403.9579162410 . . . . . . . . . . . 27927 1
16 2 4.141 . 551.1603059270 . . . . . . . . . . . 27927 1
17 1 8.213 . 232.7920759430 . . . . . . . . . . . 27927 1
17 2 4.040 . 272.3146328770 . . . . . . . . . . . 27927 1
18 1 8.223 . 39.2064159992 . . . . . . . . . . . 27927 1
18 2 2.695 . 84.5044258468 . . . . . . . . . . . 27927 1
19 1 8.205 . 76.6826903119 . . . . . . . . . . . 27927 1
19 2 1.702 . 105.2860706300 . . . . . . . . . . . 27927 1
20 1 8.161 . 24.6433066387 . . . . . . . . . . . 27927 1
20 2 3.752 . 85.7011307116 . . . . . . . . . . . 27927 1
21 1 8.158 . 38.4292181800 . . . . . . . . . . . 27927 1
21 2 2.028 . 200.8202821350 . . . . . . . . . . . 27927 1
22 1 8.159 . 26.8133247600 . . . . . . . . . . . 27927 1
22 2 1.019 . 141.8597787310 . . . . . . . . . . . 27927 1
23 1 8.115 . 70.3720485463 . . . . . . . . . . . 27927 1
23 2 3.913 . 83.3240821814 . . . . . . . . . . . 27927 1
24 1 8.022 . 30.4991708082 . . . . . . . . . . . 27927 1
24 2 4.067 . 87.4745678525 . . . . . . . . . . . 27927 1
25 1 8.022 . 27.3754783705 . . . . . . . . . . . 27927 1
25 2 1.924 . 204.3303437180 . . . . . . . . . . . 27927 1
26 1 8.024 . 25.6282441756 . . . . . . . . . . . 27927 1
26 2 1.582 . 94.3579581392 . . . . . . . . . . . 27927 1
27 1 8.013 . 40.9031031178 . . . . . . . . . . . 27927 1
27 2 0.916 . 82.4505110032 . . . . . . . . . . . 27927 1
28 1 7.977 . 56.1230322894 . . . . . . . . . . . 27927 1
28 2 4.002 . 166.5336359670 . . . . . . . . . . . 27927 1
29 1 7.973 . 40.8949220882 . . . . . . . . . . . 27927 1
29 2 2.239 . 140.4597275320 . . . . . . . . . . . 27927 1
30 1 7.941 . 64.1173591801 . . . . . . . . . . . 27927 1
30 2 4.442 . 76.6919531700 . . . . . . . . . . . 27927 1
31 1 7.943 . 21.9610976238 . . . . . . . . . . . 27927 1
31 2 3.350 . 129.5514822120 . . . . . . . . . . . 27927 1
32 1 7.886 . 22.9264591254 . . . . . . . . . . . 27927 1
32 2 4.461 . 83.3182388959 . . . . . . . . . . . 27927 1
33 1 7.883 . 29.5136489120 . . . . . . . . . . . 27927 1
33 2 1.878 . 170.2376946290 . . . . . . . . . . . 27927 1
34 1 7.888 . 29.8473180509 . . . . . . . . . . . 27927 1
34 2 0.960 . 89.6844984182 . . . . . . . . . . . 27927 1
35 1 7.873 . 80.5644428029 . . . . . . . . . . . 27927 1
35 2 4.107 . 84.2391406864 . . . . . . . . . . . 27927 1
36 1 7.872 . 24.8472480213 . . . . . . . . . . . 27927 1
36 2 2.956 . 83.5940419702 . . . . . . . . . . . 27927 1
37 1 7.872 . 30.9251687106 . . . . . . . . . . . 27927 1
37 2 1.637 . 275.4051465630 . . . . . . . . . . . 27927 1
38 1 7.872 . 22.5025064805 . . . . . . . . . . . 27927 1
38 2 1.406 . 116.5747138340 . . . . . . . . . . . 27927 1
39 1 7.852 . 32.9114058438 . . . . . . . . . . . 27927 1
39 2 4.555 . 78.1872499225 . . . . . . . . . . . 27927 1
40 1 7.855 . 25.4608252469 . . . . . . . . . . . 27927 1
40 2 3.353 . 81.1053866875 . . . . . . . . . . . 27927 1
41 1 7.854 . 40.8952142678 . . . . . . . . . . . 27927 1
41 2 3.138 . 76.8199211219 . . . . . . . . . . . 27927 1
42 1 7.844 . 61.1721884971 . . . . . . . . . . . 27927 1
42 2 3.880 . 79.6124272492 . . . . . . . . . . . 27927 1
43 1 7.810 . 22.9805123572 . . . . . . . . . . . 27927 1
43 2 2.750 . 95.6726973705 . . . . . . . . . . . 27927 1
44 1 7.811 . 23.2642187792 . . . . . . . . . . . 27927 1
44 2 3.211 . 77.8056833811 . . . . . . . . . . . 27927 1
45 1 7.797 . 54.4660816006 . . . . . . . . . . . 27927 1
45 2 3.881 . 86.2766943307 . . . . . . . . . . . 27927 1
46 1 7.796 . 28.2023467270 . . . . . . . . . . . 27927 1
46 2 4.324 . 78.5828403490 . . . . . . . . . . . 27927 1
47 1 3.979 . 19.0565399095 . . . . . . . . . . . 27927 1
47 2 3.481 . 68.8344871951 . . . . . . . . . . . 27927 1
48 1 3.482 . 19.3411228704 . . . . . . . . . . . 27927 1
48 2 3.971 . 136.0129872870 . . . . . . . . . . . 27927 1
49 1 4.007 . 37.6245554756 . . . . . . . . . . . 27927 1
49 2 2.239 . 116.2235323770 . . . . . . . . . . . 27927 1
50 1 2.241 . 40.1343785080 . . . . . . . . . . . 27927 1
50 2 4.012 . 90.0946970584 . . . . . . . . . . . 27927 1
51 1 10.626 . 19.5003607694 . . . . . . . . . . . 27927 1
51 2 7.182 . 77.3332537507 . . . . . . . . . . . 27927 1
52 1 7.183 . 18.3374858370 . . . . . . . . . . . 27927 1
52 2 10.625 . 78.7709941412 . . . . . . . . . . . 27927 1
53 1 7.006 . 32.6443536609 . . . . . . . . . . . 27927 1
53 2 7.496 . 108.7803553430 . . . . . . . . . . . 27927 1
54 1 6.847 . 22.5521770178 . . . . . . . . . . . 27927 1
54 2 7.642 . 158.8003398090 . . . . . . . . . . . 27927 1
55 1 7.654 . 24.2833413330 . . . . . . . . . . . 27927 1
55 2 6.848 . 79.5224406529 . . . . . . . . . . . 27927 1
56 1 7.511 . 28.8693928251 . . . . . . . . . . . 27927 1
56 2 7.025 . 139.6112824810 . . . . . . . . . . . 27927 1
57 1 7.506 . 48.0188458574 . . . . . . . . . . . 27927 1
57 2 6.824 . 91.2624776601 . . . . . . . . . . . 27927 1
58 1 7.365 . 309.9777534900 . . . . . . . . . . . 27927 1
58 2 6.836 . 103.2663390060 . . . . . . . . . . . 27927 1
60 1 6.825 . 39.5500192455 . . . . . . . . . . . 27927 1
60 2 7.509 . 110.8012556230 . . . . . . . . . . . 27927 1
61 1 6.791 . 67.0581471686 . . . . . . . . . . . 27927 1
61 2 7.141 . 94.0108669821 . . . . . . . . . . . 27927 1
62 1 7.144 . 33.3940865947 . . . . . . . . . . . 27927 1
62 2 6.807 . 96.1121124380 . . . . . . . . . . . 27927 1
63 1 8.400 . 21.9768753239 . . . . . . . . . . . 27927 1
63 2 7.306 . 81.2500080029 . . . . . . . . . . . 27927 1
64 1 7.310 . 21.9727848090 . . . . . . . . . . . 27927 1
64 2 8.400 . 81.1391316611 . . . . . . . . . . . 27927 1
stop_
loop_
_Assigned_peak_chem_shift.Peak_ID
_Assigned_peak_chem_shift.Spectral_dim_ID
_Assigned_peak_chem_shift.Set_ID
_Assigned_peak_chem_shift.Magnetization_linkage_ID
_Assigned_peak_chem_shift.Assembly_atom_ID
_Assigned_peak_chem_shift.Val
_Assigned_peak_chem_shift.Contribution_fractional_val
_Assigned_peak_chem_shift.Figure_of_merit
_Assigned_peak_chem_shift.Assigned_chem_shift_list_ID
_Assigned_peak_chem_shift.Atom_chem_shift_ID
_Assigned_peak_chem_shift.Entity_assembly_ID
_Assigned_peak_chem_shift.Entity_ID
_Assigned_peak_chem_shift.Comp_index_ID
_Assigned_peak_chem_shift.Comp_ID
_Assigned_peak_chem_shift.Atom_ID
_Assigned_peak_chem_shift.Ambiguity_code
_Assigned_peak_chem_shift.Ambiguity_set_ID
_Assigned_peak_chem_shift.Auth_atom_peak_num
_Assigned_peak_chem_shift.Auth_entity_ID
_Assigned_peak_chem_shift.Auth_seq_ID
_Assigned_peak_chem_shift.Auth_comp_ID
_Assigned_peak_chem_shift.Auth_atom_ID
_Assigned_peak_chem_shift.Auth_ambiguity_code
_Assigned_peak_chem_shift.Auth_ambiguity_set_ID
_Assigned_peak_chem_shift.Auth_amb_atom_grp_ID
_Assigned_peak_chem_shift.Resonance_ID
_Assigned_peak_chem_shift.Details
_Assigned_peak_chem_shift.Entry_ID
_Assigned_peak_chem_shift.Spectral_peak_list_ID
1 1 1 . . 8.942 . . 1 . 1 1 3 LYS H . . . . . . . . . . 1 . 27927 1
1 2 1 . . 4.247 . . 1 . 1 1 3 LYS HA . . . . . . . . . . 2 . 27927 1
2 1 2 . . 8.943 . . 1 . 1 1 3 LYS H . . . . . . . . . . 1 . 27927 1
2 2 1 . . 3.040 . . 1 . 1 1 3 LYS HE2 . . . . . . . . . . 3 . 27927 1
3 1 1 . . 8.941 . . 1 . 1 1 3 LYS H . . . . . . . . . . 1 . 27927 1
3 2 1 . . 1.816 . . 1 . 1 1 3 LYS HB2 . . . . . . . . . . 4 . 27927 1
4 1 1 . . 8.941 . . 1 . 1 1 3 LYS H . . . . . . . . . . 1 . 27927 1
4 2 1 . . 1.548 . . 1 . 1 1 3 LYS HG2 . . . . . . . . . . 5 . 27927 1
5 1 1 . . 8.754 . . 1 . 1 1 4 LEU H . . . . . . . . . . 6 . 27927 1
5 2 1 . . 4.237 . . 1 . 1 1 4 LEU HA . . . . . . . . . . 7 . 27927 1
6 1 1 . . 8.754 . . 1 . 1 1 4 LEU H . . . . . . . . . . 6 . 27927 1
6 2 1 . . 1.820 . . 1 . 1 1 4 LEU HB2 . . . . . . . . . . 8 . 27927 1
7 1 1 . . 8.751 . . 1 . 1 1 4 LEU H . . . . . . . . . . 6 . 27927 1
7 2 1 . . 1.004 . . 1 . 1 1 4 LEU MD1 . . . . . . . . . . 9 . 27927 1
8 1 1 . . 8.338 . . 1 . 1 1 6 GLU H . . . . . . . . . . 12 . 27927 1
8 2 1 . . 4.387 . . 1 . 1 1 6 GLU HA . . . . . . . . . . 13 . 27927 1
9 1 1 . . 8.325 . . 1 . 1 1 17 GLY H . . . . . . . . . . 10 . 27927 1
9 2 1 . . 4.015 . . 1 . 1 1 17 GLY HA2 . . . . . . . . . . 11 . 27927 1
10 1 1 . . 8.337 . . 1 . 1 1 6 GLU H . . . . . . . . . . 12 . 27927 1
10 2 1 . . 2.651 . . 1 . 1 1 6 GLU HG2 . . . . . . . . . . 14 . 27927 1
11 1 1 . . 8.346 . . 1 . 1 1 6 GLU H . . . . . . . . . . 12 . 27927 1
11 2 1 . . 1.661 . . 1 . 1 1 6 GLU HB2 . . . . . . . . . . 15 . 27927 1
12 1 1 . . 8.310 . . 1 . 1 1 11 GLN H . . . . . . . . . . 16 . 27927 1
12 2 1 . . 4.280 . . 1 . 1 1 11 GLN HA . . . . . . . . . . 17 . 27927 1
13 1 1 . . 8.310 . . 1 . 1 1 11 GLN H . . . . . . . . . . 16 . 27927 1
13 2 1 . . 2.394 . . 1 . 1 1 11 GLN HG2 . . . . . . . . . . 18 . 27927 1
14 1 1 . . 8.310 . . 1 . 1 1 11 GLN H . . . . . . . . . . 16 . 27927 1
14 2 1 . . 2.046 . . 1 . 1 1 11 GLN HB2 . . . . . . . . . . 19 . 27927 1
15 1 1 . . 8.246 . . 1 . 1 1 15 HIS H . . . . . . . . . . 20 . 27927 1
15 2 1 . . 3.020 . . 1 . 1 1 15 HIS HB2 . . . . . . . . . . 22 . 27927 1
16 1 1 . . 8.247 . . 1 . 1 1 15 HIS H . . . . . . . . . . 20 . 27927 1
16 2 1 . . 4.141 . . 1 . 1 1 15 HIS HA . . . . . . . . . . 21 . 27927 1
17 1 1 . . 8.213 . . 1 . 1 1 7 GLU H . . . . . . . . . . 23 . 27927 1
17 2 1 . . 4.040 . . 1 . 1 1 7 GLU HA . . . . . . . . . . 24 . 27927 1
18 1 1 . . 8.223 . . 1 . 1 1 7 GLU H . . . . . . . . . . 23 . 27927 1
18 2 1 . . 2.695 . . 1 . 1 1 7 GLU HG2 . . . . . . . . . . 25 . 27927 1
19 1 1 . . 8.205 . . 1 . 1 1 7 GLU H . . . . . . . . . . 23 . 27927 1
19 2 1 . . 1.702 . . 1 . 1 1 7 GLU HB2 . . . . . . . . . . 26 . 27927 1
20 1 1 . . 8.161 . . 1 . 1 1 1 VAL H3 . . . . . . . . . . 27 . 27927 1
20 2 1 . . 3.752 . . 1 . 1 1 1 VAL HA . . . . . . . . . . 28 . 27927 1
21 1 1 . . 8.158 . . 1 . 1 1 1 VAL H3 . . . . . . . . . . 27 . 27927 1
21 2 1 . . 2.028 . . 1 . 1 1 1 VAL HB . . . . . . . . . . 29 . 27927 1
22 1 1 . . 8.159 . . 1 . 1 1 1 VAL H3 . . . . . . . . . . 27 . 27927 1
22 2 1 . . 1.019 . . 1 . 1 1 1 VAL MG1 . . . . . . . . . . 30 . 27927 1
23 1 1 . . 8.115 . . 1 . 1 1 9 GLY H . . . . . . . . . . 31 . 27927 1
23 2 1 . . 3.913 . . 1 . 1 1 9 GLY HA2 . . . . . . . . . . 32 . 27927 1
24 1 1 . . 8.022 . . 1 . 1 1 12 ILE H . . . . . . . . . . 33 . 27927 1
24 2 1 . . 4.067 . . 1 . 1 1 12 ILE HA . . . . . . . . . . 34 . 27927 1
25 1 2 . . 8.022 . . 1 . 1 1 12 ILE H . . . . . . . . . . 33 . 27927 1
25 2 1 . . 1.924 . . 1 . 1 1 12 ILE HB . . . . . . . . . . 36 . 27927 1
26 1 1 . . 8.024 . . 1 . 1 1 12 ILE H . . . . . . . . . . 33 . 27927 1
26 2 1 . . 1.582 . . 1 . 1 1 12 ILE HG12 . . . . . . . . . . 37 . 27927 1
27 1 1 . . 8.013 . . 1 . 1 1 12 ILE H . . . . . . . . . . 33 . 27927 1
27 2 1 . . 0.916 . . 1 . 1 1 12 ILE MG . . . . . . . . . . 38 . 27927 1
28 1 1 . . 7.977 . . 1 . 1 1 10 ASP H . . . . . . . . . . 39 . 27927 1
28 2 1 . . 4.002 . . 1 . 1 1 10 ASP HA . . . . . . . . . . 40 . 27927 1
29 1 1 . . 7.973 . . 1 . 1 1 10 ASP H . . . . . . . . . . 39 . 27927 1
29 2 1 . . 2.239 . . 1 . 1 1 10 ASP HB2 . . . . . . . . . . 41 . 27927 1
30 1 1 . . 7.941 . . 1 . 1 1 5 TRP H . . . . . . . . . . 42 . 27927 1
30 2 1 . . 4.442 . . 1 . 1 1 5 TRP HA . . . . . . . . . . 43 . 27927 1
31 1 1 . . 7.943 . . 1 . 1 1 5 TRP H . . . . . . . . . . 42 . 27927 1
31 2 1 . . 3.350 . . 1 . 1 1 5 TRP HB2 . . . . . . . . . . 44 . 27927 1
32 1 1 . . 7.886 . . 1 . 1 1 16 LEU H . . . . . . . . . . 45 . 27927 1
32 2 1 . . 4.461 . . 1 . 1 1 16 LEU HA . . . . . . . . . . 46 . 27927 1
33 1 1 . . 7.883 . . 1 . 1 1 16 LEU H . . . . . . . . . . 45 . 27927 1
33 2 1 . . 1.878 . . 1 . 1 1 16 LEU HB2 . . . . . . . . . . 47 . 27927 1
34 1 1 . . 7.888 . . 1 . 1 1 16 LEU H . . . . . . . . . . 45 . 27927 1
34 2 1 . . 0.960 . . 1 . 1 1 16 LEU MD1 . . . . . . . . . . 48 . 27927 1
35 1 1 . . 7.873 . . 1 . 1 1 14 LYS H . . . . . . . . . . 49 . 27927 1
35 2 1 . . 4.107 . . 1 . 1 1 14 LYS HA . . . . . . . . . . 50 . 27927 1
36 1 1 . . 7.872 . . 1 . 1 1 14 LYS H . . . . . . . . . . 49 . 27927 1
36 2 1 . . 2.956 . . 1 . 1 1 14 LYS HE2 . . . . . . . . . . 51 . 27927 1
37 1 1 . . 7.872 . . 1 . 1 1 14 LYS H . . . . . . . . . . 49 . 27927 1
37 2 1 . . 1.637 . . 1 . 1 1 14 LYS HB2 . . . . . . . . . . 52 . 27927 1
38 1 1 . . 7.872 . . 1 . 1 1 14 LYS H . . . . . . . . . . 49 . 27927 1
38 2 1 . . 1.406 . . 1 . 1 1 14 LYS HG2 . . . . . . . . . . 53 . 27927 1
39 1 1 . . 7.852 . . 1 . 1 1 8 TYR H . . . . . . . . . . 56 . 27927 1
39 2 1 . . 4.555 . . 1 . 1 1 8 TYR HA . . . . . . . . . . 57 . 27927 1
40 1 1 . . 7.855 . . 1 . 1 1 8 TYR H . . . . . . . . . . 56 . 27927 1
40 2 1 . . 3.353 . . 1 . 1 1 8 TYR HB2 . . . . . . . . . . 58 . 27927 1
41 1 1 . . 7.854 . . 1 . 1 1 8 TYR H . . . . . . . . . . 56 . 27927 1
41 2 1 . . 3.138 . . 1 . 1 1 8 TYR HB3 . . . . . . . . . . 59 . 27927 1
42 1 1 . . 7.844 . . 1 . 1 1 13 GLN H . . . . . . . . . . 60 . 27927 1
42 2 1 . . 3.880 . . 1 . 1 1 13 GLN HA . . . . . . . . . . 63 . 27927 1
43 1 1 . . 7.810 . . 1 . 1 1 13 GLN H . . . . . . . . . . 60 . 27927 1
43 2 1 . . 2.750 . . 1 . 1 1 13 GLN HB2 . . . . . . . . . . 61 . 27927 1
44 1 2 . . 7.811 . . 1 . 1 1 13 GLN H . . . . . . . . . . 60 . 27927 1
44 2 2 . . 3.211 . . 1 . 1 1 13 GLN HG2 . . . . . . . . . . 62 . 27927 1
45 1 1 . . 7.797 . . 1 . 1 1 18 SER H . . . . . . . . . . 64 . 27927 1
45 2 1 . . 3.881 . . 1 . 1 1 18 SER HB2 . . . . . . . . . . 66 . 27927 1
46 1 1 . . 7.796 . . 1 . 1 1 18 SER H . . . . . . . . . . 64 . 27927 1
46 2 1 . . 4.324 . . 1 . 1 1 18 SER HA . . . . . . . . . . 65 . 27927 1
47 1 1 . . 3.979 . . 1 . 1 1 2 PRO HA . . . . . . . . . . 67 . 27927 1
47 2 1 . . 3.481 . . 1 . 1 1 2 PRO HD2 . . . . . . . . . . 68 . 27927 1
48 1 1 . . 3.482 . . 1 . 1 1 2 PRO HD2 . . . . . . . . . . 68 . 27927 1
48 2 1 . . 3.971 . . 1 . 1 1 2 PRO HA . . . . . . . . . . 67 . 27927 1
49 1 1 . . 4.007 . . 1 . 1 1 2 PRO HA . . . . . . . . . . 67 . 27927 1
49 2 1 . . 2.239 . . 1 . 1 1 2 PRO HB3 . . . . . . . . . . 70 . 27927 1
50 1 1 . . 2.241 . . 1 . 1 1 2 PRO HB3 . . . . . . . . . . 70 . 27927 1
50 2 1 . . 4.012 . . 1 . 1 1 2 PRO HA . . . . . . . . . . 67 . 27927 1
51 1 1 . . 10.626 . . 1 . 1 1 5 TRP HE1 . . . . . . . . . . 71 . 27927 1
51 2 1 . . 7.182 . . 1 . 1 1 5 TRP HD1 . . . . . . . . . . 72 . 27927 1
52 1 1 . . 7.183 . . 1 . 1 1 5 TRP HD1 . . . . . . . . . . 72 . 27927 1
52 2 1 . . 10.625 . . 1 . 1 1 5 TRP HE1 . . . . . . . . . . 71 . 27927 1
53 1 1 . . 7.006 . . 1 . 1 1 5 TRP HZ3 . . . . . . . . . . 81 . 27927 1
53 2 1 . . 7.496 . . 1 . 1 1 5 TRP HE3 . . . . . . . . . . 80 . 27927 1
54 1 2 . . 6.847 . . 1 . . . . . . . . . . . . . . . . 79 . 27927 1
54 2 2 . . 7.642 . . 1 . . . . . . . . . . . . . . . . 78 . 27927 1
55 1 1 . . 7.654 . . 1 . . . . . . . . . . . . . . . . 78 . 27927 1
55 2 1 . . 6.848 . . 1 . . . . . . . . . . . . . . . . 79 . 27927 1
56 1 1 . . 7.511 . . 1 . 1 1 5 TRP HE3 . . . . . . . . . . 80 . 27927 1
56 2 1 . . 7.025 . . 1 . 1 1 5 TRP HZ3 . . . . . . . . . . 81 . 27927 1
57 1 2 . . 7.506 . . 1 . 1 1 5 TRP HE3 . . . . . . . . . . 80 . 27927 1
57 2 4 . . 6.824 . . 1 . 1 1 5 TRP HH2 . . . . . . . . . . 77 . 27927 1
58 1 1 . . 7.365 . . 1 . 1 1 5 TRP HZ2 . . . . . . . . . . 83 . 27927 1
58 2 1 . . 6.836 . . 1 . 1 1 5 TRP HH2 . . . . . . . . . . 77 . 27927 1
60 1 1 . . 6.825 . . 1 . 1 1 5 TRP HH2 . . . . . . . . . . 77 . 27927 1
60 2 1 . . 7.509 . . 1 . 1 1 5 TRP HE3 . . . . . . . . . . 80 . 27927 1
61 1 1 . . 6.791 . . 1 . 1 1 8 TYR QE . . . . . . . . . . 84 . 27927 1
61 2 1 . . 7.141 . . 1 . 1 1 8 TYR QD . . . . . . . . . . 85 . 27927 1
62 1 1 . . 7.144 . . 1 . 1 1 8 TYR QD . . . . . . . . . . 85 . 27927 1
62 2 1 . . 6.807 . . 1 . 1 1 8 TYR QE . . . . . . . . . . 84 . 27927 1
63 1 1 . . 8.400 . . 1 . 1 1 15 HIS HE1 . . . . . . . . . . 88 . 27927 1
63 2 1 . . 7.306 . . 1 . 1 1 15 HIS HD1 . . . . . . . . . . 89 . 27927 1
64 1 1 . . 7.310 . . 1 . 1 1 15 HIS HD1 . . . . . . . . . . 89 . 27927 1
64 2 1 . . 8.400 . . 1 . 1 1 15 HIS HE1 . . . . . . . . . . 88 . 27927 1
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