Content for NMR-STAR saveframe, "peak_list_1_2_3_4_5_6_7_8_9"
save_peak_list_1_2_3_4_5_6_7_8_9
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode peak_list_1_2_3_4_5_6_7_8_9
_Spectral_peak_list.Entry_ID 18226
_Spectral_peak_list.ID 9
_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 9
_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 . . 6982.63085938 . . . . . . . 18226 9
2 . . N 15 15N . . 2026.00000000 . . . . . . . 18226 9
stop_
loop_
_Peak.ID
_Peak.Figure_of_merit
_Peak.Restraint
_Peak.Details
_Peak.Entry_ID
_Peak.Spectral_peak_list_ID
1 1.0 . . 18226 9
2 1.0 . . 18226 9
3 1.0 . . 18226 9
4 1.0 . . 18226 9
5 1.0 . . 18226 9
6 1.0 . . 18226 9
7 1.0 . . 18226 9
8 1.0 . . 18226 9
9 1.0 . . 18226 9
10 1.0 . . 18226 9
11 1.0 . . 18226 9
12 1.0 . . 18226 9
13 1.0 . . 18226 9
14 1.0 . . 18226 9
15 1.0 . . 18226 9
16 1.0 . . 18226 9
17 1.0 . . 18226 9
18 1.0 . . 18226 9
19 1.0 . . 18226 9
20 1.0 . . 18226 9
21 1.0 . . 18226 9
22 1.0 . . 18226 9
23 1.0 . . 18226 9
24 1.0 . . 18226 9
25 1.0 . . 18226 9
26 1.0 . . 18226 9
27 1.0 . . 18226 9
28 1.0 . . 18226 9
29 1.0 . . 18226 9
30 1.0 . . 18226 9
31 1.0 . . 18226 9
32 1.0 . . 18226 9
33 1.0 . . 18226 9
34 1.0 . . 18226 9
35 1.0 . . 18226 9
36 1.0 . . 18226 9
37 1.0 . . 18226 9
38 1.0 . . 18226 9
39 1.0 . . 18226 9
40 1.0 . . 18226 9
41 1.0 . . 18226 9
42 1.0 . . 18226 9
43 1.0 . . 18226 9
44 1.0 . . 18226 9
45 1.0 . . 18226 9
46 1.0 . . 18226 9
47 1.0 . . 18226 9
48 1.0 . . 18226 9
49 1.0 . . 18226 9
50 1.0 . . 18226 9
51 1.0 . . 18226 9
52 1.0 . . 18226 9
53 1.0 . . 18226 9
54 1.0 . . 18226 9
55 1.0 . . 18226 9
56 1.0 . . 18226 9
57 1.0 . . 18226 9
58 1.0 . . 18226 9
59 1.0 . . 18226 9
60 1.0 . . 18226 9
61 1.0 . . 18226 9
62 1.0 . . 18226 9
63 1.0 . . 18226 9
64 1.0 . . 18226 9
65 1.0 . . 18226 9
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 869083.750000 . height 18226 9
1 4870371.062500 . volume 18226 9
2 874513.562500 . height 18226 9
2 4582857.500000 . volume 18226 9
3 2026916.875000 . height 18226 9
3 10861801.687500 . volume 18226 9
4 283522.718750 . height 18226 9
4 1689557.664060 . volume 18226 9
5 1399334.750000 . height 18226 9
5 7615160.812500 . volume 18226 9
6 3032868.750000 . height 18226 9
6 14005639.812500 . volume 18226 9
7 764970.312500 . height 18226 9
7 4179123.031250 . volume 18226 9
8 1767890.500000 . height 18226 9
8 9024589.656250 . volume 18226 9
9 1932245.500000 . height 18226 9
9 10301319.875000 . volume 18226 9
10 760142.375000 . height 18226 9
10 4684645.468750 . volume 18226 9
11 512031.437500 . height 18226 9
11 3395900.484380 . volume 18226 9
12 319295.406250 . height 18226 9
12 2130789.015620 . volume 18226 9
13 492996.156250 . height 18226 9
13 3430261.187500 . volume 18226 9
14 1817501.250000 . height 18226 9
14 11382625.687500 . volume 18226 9
15 1077769.750000 . height 18226 9
15 6166431.937500 . volume 18226 9
16 1107678.500000 . height 18226 9
16 6510301.718750 . volume 18226 9
17 2530103.250000 . height 18226 9
17 15616000.250000 . volume 18226 9
18 1634299.250000 . height 18226 9
18 10783397.625000 . volume 18226 9
19 1958674.250000 . height 18226 9
19 12441460.812500 . volume 18226 9
20 930114.250000 . height 18226 9
20 5452834.781250 . volume 18226 9
21 2625518.000000 . height 18226 9
21 14095821.687500 . volume 18226 9
22 2817005.500000 . height 18226 9
22 15084175.000000 . volume 18226 9
23 458337.625000 . height 18226 9
23 2737790.468750 . volume 18226 9
24 800771.375000 . height 18226 9
24 4796488.906250 . volume 18226 9
25 291286.500000 . height 18226 9
25 1968827.203120 . volume 18226 9
26 303953.375000 . height 18226 9
26 1993730.234380 . volume 18226 9
27 353707.156250 . height 18226 9
27 2162012.109380 . volume 18226 9
28 2511305.750000 . height 18226 9
28 12925310.437500 . volume 18226 9
29 2101309.250000 . height 18226 9
29 12932075.625000 . volume 18226 9
30 466820.281250 . height 18226 9
30 2892296.875000 . volume 18226 9
31 402364.968750 . height 18226 9
31 2478065.828120 . volume 18226 9
32 532211.687500 . height 18226 9
32 3466363.718750 . volume 18226 9
33 275696.875000 . height 18226 9
33 1925196.296880 . volume 18226 9
34 695076.812500 . height 18226 9
34 4330820.468750 . volume 18226 9
35 382699.156250 . height 18226 9
35 2742490.312500 . volume 18226 9
36 829984.125000 . height 18226 9
36 5445278.687500 . volume 18226 9
37 2074037.250000 . height 18226 9
37 11239297.812500 . volume 18226 9
38 381428.000000 . height 18226 9
38 2458815.781250 . volume 18226 9
39 281354.031250 . height 18226 9
39 1730000.484380 . volume 18226 9
40 2078508.125000 . height 18226 9
40 12245406.312500 . volume 18226 9
41 2161796.000000 . height 18226 9
41 13942213.500000 . volume 18226 9
42 370592.187500 . height 18226 9
42 2437809.109380 . volume 18226 9
43 231962.187500 . height 18226 9
43 1494355.414060 . volume 18226 9
44 266483.750000 . height 18226 9
44 1632688.468750 . volume 18226 9
45 649097.000000 . height 18226 9
45 3906791.937500 . volume 18226 9
46 2395282.250000 . height 18226 9
46 11823754.562500 . volume 18226 9
47 2097982.750000 . height 18226 9
47 11175658.000000 . volume 18226 9
48 444648.906250 . height 18226 9
48 2793558.218750 . volume 18226 9
49 2603264.500000 . height 18226 9
49 13187943.312500 . volume 18226 9
50 536386.812500 . height 18226 9
50 3257820.484380 . volume 18226 9
51 269874.875000 . height 18226 9
51 1742005.507810 . volume 18226 9
52 258008.140625 . height 18226 9
52 1651206.429690 . volume 18226 9
53 1771379.750000 . height 18226 9
53 10723376.218800 . volume 18226 9
54 2017302.750000 . height 18226 9
54 12789231.812500 . volume 18226 9
55 1689818.250000 . height 18226 9
55 11956468.156200 . volume 18226 9
56 1750869.250000 . height 18226 9
56 10365731.750000 . volume 18226 9
57 643421.250000 . height 18226 9
57 4597354.343750 . volume 18226 9
58 1055531.750000 . height 18226 9
58 6743359.906250 . volume 18226 9
59 698137.687500 . height 18226 9
59 4965519.500000 . volume 18226 9
60 2510028.750000 . height 18226 9
60 14166661.312500 . volume 18226 9
61 1055531.750000 . height 18226 9
61 6743359.906250 . volume 18226 9
62 577392.937500 . height 18226 9
62 5035127.656250 . volume 18226 9
63 337978.031250 . height 18226 9
63 2654902.250000 . volume 18226 9
64 1030383.312500 . height 18226 9
64 7181495.625000 . volume 18226 9
65 1036726.625000 . height 18226 9
65 8841324.375000 . volume 18226 9
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 10.173 . 20.8487760397 . . . . . . . . . . . 18226 9
1 2 129.271 . 19.3023617268 . . . . . . . . . . . 18226 9
2 1 10.264 . 20.0806840481 . . . . . . . . . . . 18226 9
2 2 128.737 . 18.7198806405 . . . . . . . . . . . 18226 9
3 1 8.347 . 19.5622063464 . . . . . . . . . . . 18226 9
3 2 125.103 . 18.1543058157 . . . . . . . . . . . 18226 9
4 1 8.764 . 25.7767593649 . . . . . . . . . . . 18226 9
4 2 123.626 . 20.1230399609 . . . . . . . . . . . 18226 9
5 1 8.408 . 20.8182895925 . . . . . . . . . . . 18226 9
5 2 123.428 . 19.2745871544 . . . . . . . . . . . 18226 9
6 1 7.975 . 16.9810551630 . . . . . . . . . . . 18226 9
6 2 123.428 . 16.5530413389 . . . . . . . . . . . 18226 9
7 1 8.604 . 48.2803355989 . . . . . . . . . . . 18226 9
7 2 122.399 . 18.2008584142 . . . . . . . . . . . 18226 9
8 1 8.554 . 17.9039725249 . . . . . . . . . . . 18226 9
8 2 122.314 . 17.6178942919 . . . . . . . . . . . 18226 9
9 1 8.334 . 19.3280954034 . . . . . . . . . . . 18226 9
9 2 122.197 . 18.7282130122 . . . . . . . . . . . 18226 9
10 1 8.111 . 28.7344649939 . . . . . . . . . . . 18226 9
10 2 121.999 . 20.3364815116 . . . . . . . . . . . 18226 9
11 1 7.939 . 66.8227546777 . . . . . . . . . . . 18226 9
11 2 121.960 . 21.4887639880 . . . . . . . . . . . 18226 9
12 1 8.454 . 32.9980934875 . . . . . . . . . . . 18226 9
12 2 120.770 . 25.0399845839 . . . . . . . . . . . 18226 9
13 1 7.961 . 29.0258030563 . . . . . . . . . . . 18226 9
13 2 120.758 . 87.1281693578 . . . . . . . . . . . 18226 9
14 1 8.176 . 18.3111174671 . . . . . . . . . . . 18226 9
14 2 120.643 . 29.1139105558 . . . . . . . . . . . 18226 9
15 1 8.726 . 23.8171987474 . . . . . . . . . . . 18226 9
15 2 120.477 . 19.6480947733 . . . . . . . . . . . 18226 9
16 1 8.615 . 22.1281663308 . . . . . . . . . . . 18226 9
16 2 120.392 . 20.4181146026 . . . . . . . . . . . 18226 9
17 1 8.294 . 19.4740765825 . . . . . . . . . . . 18226 9
17 2 120.464 . 31.1972450018 . . . . . . . . . . . 18226 9
18 1 8.279 . 22.8127067281 . . . . . . . . . . . 18226 9
18 2 120.176 . 33.9951105118 . . . . . . . . . . . 18226 9
19 1 7.958 . 25.7318100638 . . . . . . . . . . . 18226 9
19 2 120.223 . 22.3144537210 . . . . . . . . . . . 18226 9
20 1 8.659 . 24.8546743974 . . . . . . . . . . . 18226 9
20 2 119.997 . 20.6704405546 . . . . . . . . . . . 18226 9
21 1 8.097 . 19.4372431275 . . . . . . . . . . . 18226 9
21 2 119.963 . 18.6759847403 . . . . . . . . . . . 18226 9
22 1 8.185 . 19.1146902727 . . . . . . . . . . . 18226 9
22 2 119.854 . 19.1241818070 . . . . . . . . . . . 18226 9
23 1 7.583 . 27.5012725955 . . . . . . . . . . . 18226 9
23 2 119.661 . 20.1259381771 . . . . . . . . . . . 18226 9
24 1 8.543 . 24.8523853127 . . . . . . . . . . . 18226 9
24 2 119.161 . 19.7140291929 . . . . . . . . . . . 18226 9
25 1 8.434 . 37.4926073955 . . . . . . . . . . . 18226 9
25 2 119.178 . 25.3585468531 . . . . . . . . . . . 18226 9
26 1 7.728 . 27.5647426734 . . . . . . . . . . . 18226 9
26 2 119.273 . 23.4861783981 . . . . . . . . . . . 18226 9
27 1 7.459 . 27.7511990333 . . . . . . . . . . . 18226 9
27 2 119.057 . 21.1684507132 . . . . . . . . . . . 18226 9
28 1 8.221 . 19.7086037227 . . . . . . . . . . . 18226 9
28 2 118.891 . 17.6333514452 . . . . . . . . . . . 18226 9
29 1 8.062 . 20.4438161330 . . . . . . . . . . . 18226 9
29 2 118.387 . 23.5527166128 . . . . . . . . . . . 18226 9
30 1 7.868 . 27.3934775125 . . . . . . . . . . . 18226 9
30 2 118.287 . 22.0132807493 . . . . . . . . . . . 18226 9
31 1 7.712 . 27.5761880973 . . . . . . . . . . . 18226 9
31 2 118.269 . 21.4592384100 . . . . . . . . . . . 18226 9
32 1 8.232 . 51.4944187228 . . . . . . . . . . . 18226 9
32 2 117.976 . 24.0629234314 . . . . . . . . . . . 18226 9
33 1 7.927 . 34.8071988056 . . . . . . . . . . . 18226 9
33 2 117.446 . 26.5145728588 . . . . . . . . . . . 18226 9
34 1 8.182 . 29.4904872657 . . . . . . . . . . . 18226 9
34 2 117.358 . 21.6040284634 . . . . . . . . . . . 18226 9
35 1 8.026 . 117.0725355780 . . . . . . . . . . . 18226 9
35 2 117.270 . 32.3261002302 . . . . . . . . . . . 18226 9
36 1 8.069 . 27.6030328188 . . . . . . . . . . . 18226 9
36 2 116.953 . 21.4149198532 . . . . . . . . . . . 18226 9
37 1 8.267 . 18.8156525615 . . . . . . . . . . . 18226 9
37 2 116.749 . 18.9162951708 . . . . . . . . . . . 18226 9
38 1 7.835 . 27.9801075109 . . . . . . . . . . . 18226 9
38 2 113.260 . 24.5259134769 . . . . . . . . . . . 18226 9
39 1 8.109 . 25.2973001536 . . . . . . . . . . . 18226 9
39 2 113.092 . 21.7354142666 . . . . . . . . . . . 18226 9
40 1 6.809 . 25.1689033076 . . . . . . . . . . . 18226 9
40 2 112.493 . 21.4319468737 . . . . . . . . . . . 18226 9
41 1 6.788 . 36.2674267939 . . . . . . . . . . . 18226 9
41 2 112.342 . 19.0651910305 . . . . . . . . . . . 18226 9
42 1 7.786 . 27.9274585611 . . . . . . . . . . . 18226 9
42 2 111.975 . 23.3377655745 . . . . . . . . . . . 18226 9
43 1 7.423 . 34.6711023107 . . . . . . . . . . . 18226 9
43 2 111.203 . 21.1779906750 . . . . . . . . . . . 18226 9
44 1 6.897 . 27.8658613708 . . . . . . . . . . . 18226 9
44 2 111.204 . 21.0486577749 . . . . . . . . . . . 18226 9
45 1 8.361 . 25.5459779997 . . . . . . . . . . . 18226 9
45 2 110.276 . 21.4634649754 . . . . . . . . . . . 18226 9
46 1 8.455 . 18.4475261099 . . . . . . . . . . . 18226 9
46 2 110.160 . 16.6936048269 . . . . . . . . . . . 18226 9
47 1 7.762 . 19.1717092935 . . . . . . . . . . . 18226 9
47 2 109.947 . 18.0636157990 . . . . . . . . . . . 18226 9
48 1 8.263 . 28.2017325370 . . . . . . . . . . . 18226 9
48 2 109.860 . 22.7979727983 . . . . . . . . . . . 18226 9
49 1 8.166 . 19.2292485608 . . . . . . . . . . . 18226 9
49 2 108.550 . 17.3494470119 . . . . . . . . . . . 18226 9
50 1 8.061 . 25.9661291054 . . . . . . . . . . . 18226 9
50 2 107.405 . 19.8367203474 . . . . . . . . . . . 18226 9
51 1 8.427 . 31.1961675717 . . . . . . . . . . . 18226 9
51 2 106.985 . 21.3611820936 . . . . . . . . . . . 18226 9
52 1 8.205 . 31.0467527654 . . . . . . . . . . . 18226 9
52 2 105.752 . 21.6080135107 . . . . . . . . . . . 18226 9
53 1 7.490 . 33.5009637930 . . . . . . . . . . . 18226 9
53 2 112.495 . 21.5044022799 . . . . . . . . . . . 18226 9
54 1 7.452 . 33.1480285403 . . . . . . . . . . . 18226 9
54 2 112.352 . 18.8176350594 . . . . . . . . . . . 18226 9
55 1 7.475 . 25.7744702801 . . . . . . . . . . . 18226 9
55 2 112.256 . 24.5796512365 . . . . . . . . . . . 18226 9
56 1 6.763 . 32.8340077288 . . . . . . . . . . . 18226 9
56 2 112.256 . 19.1668701172 . . . . . . . . . . . 18226 9
57 1 8.000 . 59.9311528121 . . . . . . . . . . . 18226 9
57 2 121.966 . 52.8661210537 . . . . . . . . . . . 18226 9
58 1 7.839 . 25.9771583321 . . . . . . . . . . . 18226 9
58 2 114.224 . 23.2224407196 . . . . . . . . . . . 18226 9
59 1 8.009 . 73.3915955899 . . . . . . . . . . . 18226 9
59 2 120.106 . 24.5568277836 . . . . . . . . . . . 18226 9
60 1 8.303 . 18.2049871729 . . . . . . . . . . . 18226 9
60 2 118.652 . 21.4158859253 . . . . . . . . . . . 18226 9
61 1 7.823 . 25.9771583321 . . . . . . . . . . . 18226 9
61 2 114.154 . 23.2224407196 . . . . . . . . . . . 18226 9
62 1 7.925 . 80.6026288310 . . . . . . . . . . . 18226 9
62 2 120.174 . 30.9092951417 . . . . . . . . . . . 18226 9
63 1 8.173 . 162.2652079630 . . . . . . . . . . . 18226 9
63 2 118.122 . 37.7962418795 . . . . . . . . . . . 18226 9
64 1 7.977 . 22.8927206459 . . . . . . . . . . . 18226 9
64 2 121.355 . 41.5193629265 . . . . . . . . . . . 18226 9
65 1 8.038 . 23.2219326564 . . . . . . . . . . . 18226 9
65 2 118.631 . 34.6229366064 . . . . . . . . . . . 18226 9
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 2 . . 10.173 . . 1 . 1 1 24 TRP HE1 . . . . . . . . . . 589 . 18226 9
1 2 2 . . 129.271 . . 1 . 1 1 24 TRP NE1 . . . . . . . . . . 590 . 18226 9
2 1 2 . . 10.264 . . 1 . 1 1 51 TRP HE1 . . . . . . . . . . 580 . 18226 9
2 2 1 . . 128.737 . . 1 . 1 1 51 TRP NE1 . . . . . . . . . . 581 . 18226 9
3 1 1 . . 8.347 . . 1 . 1 1 64 HIS H . . . . . . . . . . 170 . 18226 9
3 2 1 . . 125.103 . . 1 . 1 1 64 HIS N . . . . . . . . . . 76 . 18226 9
4 1 1 . . 8.764 . . 1 . 1 1 2 GLU H . . . . . . . . . . 64 . 18226 9
4 2 1 . . 123.626 . . 1 . 1 1 2 GLU N . . . . . . . . . . 65 . 18226 9
5 1 1 . . 8.408 . . 1 . 1 1 20 GLU H . . . . . . . . . . 162 . 18226 9
5 2 1 . . 123.428 . . 1 . 1 1 20 GLU N . . . . . . . . . . 163 . 18226 9
6 1 1 . . 7.975 . . 1 . 1 1 13 ALA H . . . . . . . . . . 33 . 18226 9
6 2 1 . . 123.428 . . 1 . 1 1 13 ALA N . . . . . . . . . . 34 . 18226 9
7 1 1 . . 8.604 . . 1 . . . . . . . . . . . . . . . . 78 . 18226 9
7 2 1 . . 122.399 . . 1 . . . . . . . . . . . . . . . . 79 . 18226 9
8 1 1 . . 8.554 . . 1 . 1 1 3 GLU H . . . . . . . . . . 61 . 18226 9
8 2 1 . . 122.314 . . 1 . 1 1 3 GLU N . . . . . . . . . . 62 . 18226 9
9 1 1 . . 8.334 . . 1 . 1 1 18 GLU H . . . . . . . . . . 7 . 18226 9
9 2 1 . . 122.197 . . 1 . 1 1 18 GLU N . . . . . . . . . . 8 . 18226 9
10 1 1 . . 8.111 . . 1 . 1 1 23 ASP H . . . . . . . . . . 177 . 18226 9
10 2 1 . . 121.999 . . 1 . 1 1 23 ASP N . . . . . . . . . . 178 . 18226 9
11 1 2 . . 7.939 . . 1 . 1 1 29 ALA H . . . . . . . . . . 379 . 18226 9
11 2 2 . . 121.960 . . 1 . 1 1 29 ALA N . . . . . . . . . . 260 . 18226 9
12 1 2 . . 8.454 . . 1 . 1 1 40 LEU H . . . . . . . . . . 26 . 18226 9
12 2 2 . . 120.770 . . 1 . 1 1 40 LEU N . . . . . . . . . . 27 . 18226 9
13 1 1 . . 7.961 . . 1 . 1 1 48 LEU H . . . . . . . . . . 184 . 18226 9
13 2 1 . . 120.758 . . 1 . 1 1 48 LEU N . . . . . . . . . . 185 . 18226 9
14 1 1 . . 8.176 . . 1 . 1 1 8 ASP H . . . . . . . . . . 31 . 18226 9
14 2 1 . . 120.643 . . 1 . 1 1 8 ASP N . . . . . . . . . . 32 . 18226 9
15 1 1 . . 8.726 . . 1 . 1 1 62 HIS H . . . . . . . . . . 55 . 18226 9
15 2 1 . . 120.477 . . 1 . 1 1 62 HIS N . . . . . . . . . . 56 . 18226 9
16 1 1 . . 8.615 . . 1 . 1 1 63 HIS H . . . . . . . . . . 80 . 18226 9
16 2 1 . . 120.392 . . 1 . 1 1 63 HIS N . . . . . . . . . . 81 . 18226 9
17 1 1 . . 8.294 . . 1 . 1 1 16 GLN H . . . . . . . . . . 173 . 18226 9
17 2 1 . . 120.464 . . 1 . 1 1 16 GLN N . . . . . . . . . . 174 . 18226 9
18 1 1 . . 8.279 . . 1 . 1 1 19 CYS H . . . . . . . . . . 181 . 18226 9
18 2 1 . . 120.176 . . 1 . 1 1 19 CYS N . . . . . . . . . . 182 . 18226 9
19 1 1 . . 7.958 . . 1 . 1 1 10 TYR H . . . . . . . . . . 72 . 18226 9
19 2 1 . . 120.223 . . 1 . 1 1 10 TYR N . . . . . . . . . . 161 . 18226 9
20 1 1 . . 8.659 . . 1 . 1 1 61 HIS H . . . . . . . . . . 37 . 18226 9
20 2 1 . . 119.997 . . 1 . 1 1 61 HIS N . . . . . . . . . . 38 . 18226 9
21 1 1 . . 8.097 . . 1 . 1 1 7 PHE H . . . . . . . . . . 59 . 18226 9
21 2 1 . . 119.963 . . 1 . 1 1 7 PHE N . . . . . . . . . . 60 . 18226 9
22 1 1 . . 8.185 . . 1 . 1 1 6 ASP H . . . . . . . . . . 47 . 18226 9
22 2 1 . . 119.854 . . 1 . 1 1 6 ASP N . . . . . . . . . . 190 . 18226 9
23 1 1 . . 7.583 . . 1 . 1 1 25 LYS H . . . . . . . . . . 11 . 18226 9
23 2 1 . . 119.661 . . 1 . 1 1 25 LYS N . . . . . . . . . . 12 . 18226 9
24 1 1 . . 8.543 . . 1 . 1 1 60 HIS H . . . . . . . . . . 53 . 18226 9
24 2 1 . . 119.161 . . 1 . 1 1 60 HIS N . . . . . . . . . . 54 . 18226 9
25 1 1 . . 8.434 . . 1 . 1 1 41 LEU H . . . . . . . . . . 168 . 18226 9
25 2 1 . . 119.178 . . 1 . 1 1 41 LEU N . . . . . . . . . . 169 . 18226 9
26 1 1 . . 7.728 . . 1 . 1 1 50 LEU H . . . . . . . . . . 187 . 18226 9
26 2 1 . . 119.273 . . 1 . 1 1 50 LEU N . . . . . . . . . . 22 . 18226 9
27 1 1 . . 7.459 . . 1 . 1 1 33 ALA H . . . . . . . . . . 284 . 18226 9
27 2 1 . . 119.057 . . 1 . 1 1 33 ALA N . . . . . . . . . . 285 . 18226 9
28 1 1 . . 8.221 . . 1 . 1 1 15 ASN H . . . . . . . . . . 66 . 18226 9
28 2 1 . . 118.891 . . 1 . 1 1 15 ASN N . . . . . . . . . . 67 . 18226 9
29 1 1 . . 8.062 . . 1 . 1 1 9 ASN H . . . . . . . . . . 68 . 18226 9
29 2 1 . . 118.387 . . 1 . 1 1 9 ASN N . . . . . . . . . . 69 . 18226 9
30 1 1 . . 7.868 . . 1 . 1 1 57 LYS H . . . . . . . . . . 35 . 18226 9
30 2 1 . . 118.287 . . 1 . 1 1 57 LYS N . . . . . . . . . . 36 . 18226 9
31 1 1 . . 7.712 . . 1 . 1 1 56 LYS H . . . . . . . . . . 189 . 18226 9
31 2 1 . . 118.269 . . 1 . 1 1 56 LYS N . . . . . . . . . . 28 . 18226 9
32 1 1 . . 8.232 . . 1 . 1 1 46 ASN H . . . . . . . . . . 49 . 18226 9
32 2 1 . . 117.976 . . 1 . 1 1 46 ASN N . . . . . . . . . . 50 . 18226 9
33 1 1 . . 7.927 . . 1 . 1 1 30 LEU H . . . . . . . . . . 9 . 18226 9
33 2 1 . . 117.446 . . 1 . 1 1 30 LEU N . . . . . . . . . . 10 . 18226 9
34 1 1 . . 8.182 . . 1 . 1 1 27 SER H . . . . . . . . . . 175 . 18226 9
34 2 1 . . 117.358 . . 1 . 1 1 27 SER N . . . . . . . . . . 23 . 18226 9
35 1 1 . . 8.026 . . 1 . 1 1 55 ARG H . . . . . . . . . . 43 . 18226 9
35 2 1 . . 117.270 . . 1 . 1 1 55 ARG N . . . . . . . . . . 44 . 18226 9
36 1 1 . . 8.069 . . 1 . 1 1 59 HIS H . . . . . . . . . . 2 . 18226 9
36 2 1 . . 116.953 . . 1 . 1 1 59 HIS N . . . . . . . . . . 3 . 18226 9
37 1 1 . . 8.267 . . 1 . 1 1 17 SER H . . . . . . . . . . 179 . 18226 9
37 2 1 . . 116.749 . . 1 . 1 1 17 SER N . . . . . . . . . . 180 . 18226 9
38 1 1 . . 7.835 . . 1 . 1 1 44 THR H . . . . . . . . . . 20 . 18226 9
38 2 1 . . 113.260 . . 1 . 1 1 44 THR N . . . . . . . . . . 21 . 18226 9
39 1 1 . . 8.109 . . 1 . 1 1 52 THR H . . . . . . . . . . 13 . 18226 9
39 2 1 . . 113.092 . . 1 . 1 1 52 THR N . . . . . . . . . . 14 . 18226 9
40 1 2 . . 6.809 . . 1 . 1 1 15 ASN HD22 . . . . . . . . . . 52 . 18226 9
40 2 2 . . 112.493 . . 1 . 1 1 15 ASN ND2 . . . . . . . . . . 19 . 18226 9
41 1 2 . . 6.788 . . 1 . 1 1 9 ASN HD22 . . . . . . . . . . 57 . 18226 9
41 2 2 . . 112.342 . . 1 . 1 1 9 ASN ND2 . . . . . . . . . . 58 . 18226 9
42 1 1 . . 7.786 . . 1 . 1 1 43 THR H . . . . . . . . . . 51 . 18226 9
42 2 1 . . 111.975 . . 1 . 1 1 43 THR N . . . . . . . . . . 188 . 18226 9
43 1 2 . . 7.423 . . 1 . 1 1 46 ASN HD21 . . . . . . . . . . 24 . 18226 9
43 2 2 . . 111.203 . . 1 . 1 1 46 ASN ND2 . . . . . . . . . . 25 . 18226 9
44 1 2 . . 6.897 . . 1 . 1 1 46 ASN HD22 . . . . . . . . . . 48 . 18226 9
44 2 2 . . 111.204 . . 1 . 1 1 46 ASN ND2 . . . . . . . . . . 25 . 18226 9
45 1 1 . . 8.361 . . 1 . 1 1 28 GLY H . . . . . . . . . . 41 . 18226 9
45 2 1 . . 110.276 . . 1 . 1 1 28 GLY N . . . . . . . . . . 42 . 18226 9
46 1 1 . . 8.455 . . 1 . 1 1 4 GLY H . . . . . . . . . . 70 . 18226 9
46 2 1 . . 110.160 . . 1 . 1 1 4 GLY N . . . . . . . . . . 71 . 18226 9
47 1 1 . . 7.762 . . 1 . 1 1 12 GLY H . . . . . . . . . . 164 . 18226 9
47 2 1 . . 109.947 . . 1 . 1 1 12 GLY N . . . . . . . . . . 63 . 18226 9
48 1 1 . . 8.263 . . 1 . 1 1 45 GLY H . . . . . . . . . . 39 . 18226 9
48 2 1 . . 109.860 . . 1 . 1 1 45 GLY N . . . . . . . . . . 40 . 18226 9
49 1 1 . . 8.166 . . 1 . 1 1 5 GLY H . . . . . . . . . . 191 . 18226 9
49 2 1 . . 108.550 . . 1 . 1 1 5 GLY N . . . . . . . . . . 192 . 18226 9
50 1 1 . . 8.061 . . 1 . 1 1 58 GLY H . . . . . . . . . . 176 . 18226 9
50 2 1 . . 107.405 . . 1 . 1 1 58 GLY N . . . . . . . . . . 4 . 18226 9
51 1 1 . . 8.427 . . 1 . 1 1 47 GLY H . . . . . . . . . . 166 . 18226 9
51 2 1 . . 106.985 . . 1 . 1 1 47 GLY N . . . . . . . . . . 167 . 18226 9
52 1 1 . . 8.205 . . 1 . 1 1 42 GLY H . . . . . . . . . . 16 . 18226 9
52 2 1 . . 105.752 . . 1 . 1 1 42 GLY N . . . . . . . . . . 17 . 18226 9
53 1 2 . . 7.490 . . 1 . 1 1 15 ASN HD21 . . . . . . . . . . 18 . 18226 9
53 2 2 . . 112.495 . . 1 . 1 1 15 ASN ND2 . . . . . . . . . . 19 . 18226 9
54 1 2 . . 7.452 . . 1 . 1 1 9 ASN HD21 . . . . . . . . . . 73 . 18226 9
54 2 2 . . 112.352 . . 1 . 1 1 9 ASN ND2 . . . . . . . . . . 58 . 18226 9
55 1 2 . . 7.475 . . 1 . 1 1 16 GLN HE21 . . . . . . . . . . 218 . 18226 9
55 2 1 . . 112.256 . . 1 . 1 1 16 GLN NE2 . . . . . . . . . . 172 . 18226 9
56 1 1 . . 6.763 . . 1 . 1 1 16 GLN HE22 . . . . . . . . . . 171 . 18226 9
56 2 1 . . 112.256 . . 1 . 1 1 16 GLN NE2 . . . . . . . . . . 172 . 18226 9
57 1 1 . . 8.000 . . 1 . 1 1 24 TRP H . . . . . . . . . . 77 . 18226 9
57 2 1 . . 121.966 . . 1 . 1 1 24 TRP N . . . . . . . . . . 183 . 18226 9
58 1 1 . . 7.839 . . 1 . 1 1 22 THR H . . . . . . . . . . 5 . 18226 9
58 2 1 . . 114.224 . . 1 . 1 1 22 THR N . . . . . . . . . . 6 . 18226 9
59 1 1 . . 8.009 . . 1 . 1 1 21 TYR H . . . . . . . . . . 265 . 18226 9
59 2 1 . . 120.106 . . 1 . 1 1 21 TYR N . . . . . . . . . . 266 . 18226 9
60 1 1 . . 8.303 . . 1 . 1 1 14 ASP H . . . . . . . . . . 1 . 18226 9
60 2 1 . . 118.652 . . 1 . 1 1 14 ASP N . . . . . . . . . . 186 . 18226 9
61 1 1 . . 7.823 . . 1 . 1 1 26 SER H . . . . . . . . . . 165 . 18226 9
61 2 1 . . 114.154 . . 1 . 1 1 26 SER N . . . . . . . . . . 15 . 18226 9
62 1 1 . . 7.925 . . 1 . 1 1 49 VAL H . . . . . . . . . . 357 . 18226 9
62 2 1 . . 120.174 . . 1 . 1 1 49 VAL N . . . . . . . . . . 280 . 18226 9
63 1 1 . . 8.173 . . 1 . 1 1 34 ILE H . . . . . . . . . . 323 . 18226 9
63 2 1 . . 118.122 . . 1 . 1 1 34 ILE N . . . . . . . . . . 324 . 18226 9
64 1 1 . . 7.977 . . 1 . 1 1 11 TYR H . . . . . . . . . . 45 . 18226 9
64 2 1 . . 121.355 . . 1 . 1 1 11 TYR N . . . . . . . . . . 46 . 18226 9
65 1 3 . . 8.038 . . 1 . 1 1 54 PHE H . . . . . . . . . . 29 . 18226 9
65 2 2 . . 118.631 . . 1 . 1 1 54 PHE N . . . . . . . . . . 30 . 18226 9
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