Content for NMR-STAR saveframe, "spectral_peak_list_5"
save_spectral_peak_list_5
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_5
_Spectral_peak_list.Entry_ID 51400
_Spectral_peak_list.ID 5
_Spectral_peak_list.Name 'peak list 1 2 3 4 5'
_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 1
_Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1
_Spectral_peak_list.Experiment_ID 5
_Spectral_peak_list.Experiment_name 'HMBC 13C (H_[C].Jmultibond)'
_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 1
_Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1
_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 . folded 9090.90909091 Hz . . . . . . 51400 5
2 . . C 13 13C . folded 35211.26760560 Hz . . . . . . 51400 5
stop_
loop_
_Spectral_peak_software.Software_ID
_Spectral_peak_software.Software_label
_Spectral_peak_software.Method_ID
_Spectral_peak_software.Method_label
_Spectral_peak_software.Entry_ID
_Spectral_peak_software.Spectral_peak_list_ID
1 $software_1 . . 51400 5
stop_
loop_
_Peak.ID
_Peak.Figure_of_merit
_Peak.Type
_Peak.Restraint
_Peak.Details
_Peak.Entry_ID
_Peak.Spectral_peak_list_ID
1 1.0 . . . 51400 5
2 1.0 . . . 51400 5
3 1.0 . . . 51400 5
4 1.0 . . . 51400 5
5 1.0 . . . 51400 5
6 1.0 . . . 51400 5
7 1.0 . . . 51400 5
8 1.0 . . . 51400 5
9 1.0 . . . 51400 5
10 1.0 . . . 51400 5
11 1.0 . . . 51400 5
12 1.0 . . . 51400 5
13 1.0 . . . 51400 5
14 1.0 . . . 51400 5
15 1.0 . . . 51400 5
16 1.0 . . . 51400 5
17 1.0 . . . 51400 5
18 1.0 . . . 51400 5
19 1.0 . . . 51400 5
20 1.0 . . . 51400 5
21 1.0 . . . 51400 5
22 1.0 . . . 51400 5
23 1.0 . . . 51400 5
24 1.0 . . . 51400 5
25 1.0 . . . 51400 5
26 1.0 . . . 51400 5
27 1.0 . . . 51400 5
28 1.0 . . . 51400 5
29 1.0 . . . 51400 5
30 1.0 . . . 51400 5
31 1.0 . . . 51400 5
32 1.0 . . . 51400 5
33 1.0 . . . 51400 5
34 1.0 . . . 51400 5
35 1.0 . . . 51400 5
36 1.0 . . . 51400 5
37 1.0 . . . 51400 5
38 1.0 . . . 51400 5
39 1.0 . . . 51400 5
40 1.0 . . . 51400 5
41 1.0 . . . 51400 5
42 1.0 . . . 51400 5
43 1.0 . . . 51400 5
44 1.0 . . . 51400 5
45 1.0 . . . 51400 5
46 1.0 . . . 51400 5
47 1.0 . . . 51400 5
48 1.0 . . . 51400 5
49 1.0 . . . 51400 5
50 1.0 . . . 51400 5
51 1.0 . . . 51400 5
52 1.0 . . . 51400 5
53 1.0 . . . 51400 5
54 1.0 . . . 51400 5
55 1.0 . . . 51400 5
56 1.0 . . . 51400 5
57 1.0 . . . 51400 5
58 1.0 . . . 51400 5
59 1.0 . . . 51400 5
60 1.0 . . . 51400 5
61 1.0 . . . 51400 5
62 1.0 . . . 51400 5
63 1.0 . . . 51400 5
64 1.0 . . . 51400 5
65 1.0 . . . 51400 5
66 1.0 . . . 51400 5
67 1.0 . . . 51400 5
68 1.0 . . . 51400 5
69 1.0 . . . 51400 5
70 1.0 . . . 51400 5
71 1.0 . . . 51400 5
72 1.0 . . . 51400 5
73 1.0 . . . 51400 5
74 1.0 . . . 51400 5
75 1.0 . . . 51400 5
76 1.0 . . . 51400 5
77 1.0 . . . 51400 5
78 1.0 . . . 51400 5
79 1.0 . . . 51400 5
80 1.0 . . . 51400 5
81 1.0 . . . 51400 5
82 1.0 . . . 51400 5
83 1.0 . . . 51400 5
84 1.0 . . . 51400 5
85 1.0 . . . 51400 5
86 1.0 . . . 51400 5
87 1.0 . . . 51400 5
88 1.0 . . . 51400 5
89 1.0 . . . 51400 5
90 1.0 . . . 51400 5
91 1.0 . . . 51400 5
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 1.275 . 13.60828226260 . . . . . . . . . . . 51400 5
1 2 177.442 . 69.33080058700 . . . . . . . . . . . 51400 5
2 1 4.148 . 15.52700996400 . . . . . . . . . . . 51400 5
2 2 177.465 . 83.33920383120 . . . . . . . . . . . 51400 5
3 1 8.242 . 16.03270118890 . . . . . . . . . . . 51400 5
3 2 177.428 . 84.65591031060 . . . . . . . . . . . 51400 5
4 1 3.734 . 11.82068477980 . . . . . . . . . . . 51400 5
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61 2 42.114 . 73.49210725700 . . . . . . . . . . . 51400 5
62 1 0.836 . 11.97565685620 . . . . . . . . . . . 51400 5
62 2 32.820 . 75.73777521160 . . . . . . . . . . . 51400 5
63 1 0.813 . 12.27638938210 . . . . . . . . . . . 51400 5
63 2 32.824 . 76.29814282270 . . . . . . . . . . . 51400 5
64 1 1.277 . 13.73995434150 . . . . . . . . . . . 51400 5
64 2 52.899 . 65.32165366160 . . . . . . . . . . . 51400 5
65 1 1.585 . 23.15098589120 . . . . . . . . . . . 51400 5
65 2 24.700 . 78.30665145120 . . . . . . . . . . . 51400 5
66 1 2.737 . 12.38963820720 . . . . . . . . . . . 51400 5
66 2 53.400 . 83.99217901100 . . . . . . . . . . . 51400 5
67 1 2.818 . 8.39233398438 . . . . . . . . . . . 51400 5
67 2 53.125 . 82.41181642240 . . . . . . . . . . . 51400 5
68 1 2.795 . 11.80334524670 . . . . . . . . . . . 51400 5
68 2 53.114 . 92.24238530010 . . . . . . . . . . . 51400 5
69 1 2.675 . 7.24413178184 . . . . . . . . . . . 51400 5
69 2 53.117 . 77.62245728940 . . . . . . . . . . . 51400 5
70 1 2.656 . 37.64520991930 . . . . . . . . . . . 51400 5
70 2 53.110 . 84.95550760080 . . . . . . . . . . . 51400 5
71 1 2.786 . 10.12032682250 . . . . . . . . . . . 51400 5
71 2 53.667 . 149.78185505900 . . . . . . . . . . . 51400 5
72 1 2.628 . 24.72834153610 . . . . . . . . . . . 51400 5
72 2 53.174 . 91.77016540310 . . . . . . . . . . . 51400 5
73 1 2.644 . 33.58450802890 . . . . . . . . . . . 51400 5
73 2 53.187 . 83.12959066580 . . . . . . . . . . . 51400 5
74 1 2.750 . 20.58365128260 . . . . . . . . . . . 51400 5
74 2 53.216 . 87.13821290240 . . . . . . . . . . . 51400 5
75 1 2.807 . 9.42295247858 . . . . . . . . . . . 51400 5
75 2 53.681 . 85.04365531490 . . . . . . . . . . . 51400 5
76 1 2.707 . 9.15202227506 . . . . . . . . . . . 51400 5
76 2 53.690 . 172.19236199300 . . . . . . . . . . . 51400 5
77 1 8.445 . 7.25754282691 . . . . . . . . . . . 51400 5
77 2 55.458 . 74.93605076430 . . . . . . . . . . . 51400 5
78 1 8.493 . 7.28531317277 . . . . . . . . . . . 51400 5
78 2 53.043 . 85.11921049840 . . . . . . . . . . . 51400 5
79 1 8.309 . 6.94001262838 . . . . . . . . . . . 51400 5
79 2 52.998 . 81.15256336370 . . . . . . . . . . . 51400 5
80 1 8.283 . 7.82121311535 . . . . . . . . . . . 51400 5
80 2 53.647 . 83.58502052200 . . . . . . . . . . . 51400 5
81 1 8.244 . 9.23113389449 . . . . . . . . . . . 51400 5
81 2 55.812 . 82.32786621850 . . . . . . . . . . . 51400 5
83 1 6.847 . 13.56249505820 . . . . . . . . . . . 51400 5
83 2 38.619 . 68.50546514480 . . . . . . . . . . . 51400 5
84 1 2.911 . 24.03963695870 . . . . . . . . . . . 51400 5
84 2 174.733 . 75.05620449360 . . . . . . . . . . . 51400 5
87 1 4.466 . 8.03524797613 . . . . . . . . . . . 51400 5
87 2 178.368 . 84.37047961730 . . . . . . . . . . . 51400 5
88 1 3.049 . 8.74562696977 . . . . . . . . . . . 51400 5
88 2 178.447 . 79.50897577780 . . . . . . . . . . . 51400 5
89 1 3.065 . 12.41456378590 . . . . . . . . . . . 51400 5
89 2 178.428 . 86.07519344550 . . . . . . . . . . . 51400 5
90 1 8.261 . 9.49908386577 . . . . . . . . . . . 51400 5
90 2 63.621 . 84.77921217260 . . . . . . . . . . . 51400 5
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 . . 1.275 . . 1 . 1 1 6 ALA MB . . . . . . . . . . 25 . 51400 5
1 2 1 . . 177.442 . . 1 . 1 1 6 ALA C . . . . . . . . . . 166 . 51400 5
2 1 1 . . 4.148 . . 1 . 1 1 6 ALA HA . . . . . . . . . . 23 . 51400 5
2 2 1 . . 177.465 . . 1 . 1 1 6 ALA C . . . . . . . . . . 166 . 51400 5
3 1 1 . . 8.242 . . 1 . 1 1 7 ASN H . . . . . . . . . . 48 . 51400 5
3 2 1 . . 177.428 . . 1 . 1 1 6 ALA C . . . . . . . . . . 166 . 51400 5
4 1 1 . . 3.734 . . 1 . 1 1 1 THR HA . . . . . . . . . . 102 . 51400 5
4 2 1 . . 170.305 . . 1 . 1 1 1 THR C . . . . . . . . . . 167 . 51400 5
5 1 1 . . 8.679 . . 1 . 1 1 2 TYR H . . . . . . . . . . 1 . 51400 5
5 2 1 . . 170.325 . . 1 . 1 1 1 THR C . . . . . . . . . . 167 . 51400 5
6 1 1 . . 8.485 . . 1 . 1 1 5 ASP H . . . . . . . . . . 6 . 51400 5
6 2 1 . . 175.467 . . 1 . 1 1 4 VAL C . . . . . . . . . . 168 . 51400 5
7 1 1 . . 3.886 . . 1 . 1 1 4 VAL HA . . . . . . . . . . 67 . 51400 5
7 2 1 . . 175.456 . . 1 . 1 1 4 VAL C . . . . . . . . . . 168 . 51400 5
8 1 1 . . 8.356 . . 1 . 1 1 11 GLN H . . . . . . . . . . 17 . 51400 5
8 2 1 . . 175.529 . . 1 . 1 1 10 ASP C . . . . . . . . . . 174 . 51400 5
9 1 1 . . 8.311 . . 1 . 1 1 6 ALA H . . . . . . . . . . 24 . 51400 5
9 2 1 . . 175.173 . . 1 . 1 1 5 ASP C . . . . . . . . . . 170 . 51400 5
10 1 1 . . 4.514 . . 1 . 1 1 3 HIS HA . . . . . . . . . . 35 . 51400 5
10 2 1 . . 173.213 . . 1 . 1 1 3 HIS C . . . . . . . . . . 169 . 51400 5
11 1 1 . . 3.041 . . 1 . 1 1 3 HIS HB2 . . . . . . . . . . 36 . 51400 5
11 2 1 . . 173.202 . . 1 . 1 1 3 HIS C . . . . . . . . . . 169 . 51400 5
12 1 1 . . 2.954 . . 1 . 1 1 3 HIS HB3 . . . . . . . . . . 37 . 51400 5
12 2 1 . . 173.186 . . 1 . 1 1 3 HIS C . . . . . . . . . . 169 . 51400 5
13 1 1 . . 8.112 . . 1 . 1 1 4 VAL H . . . . . . . . . . 66 . 51400 5
13 2 1 . . 173.221 . . 1 . 1 1 3 HIS C . . . . . . . . . . 169 . 51400 5
14 1 1 . . 2.660 . . 1 . 1 1 5 ASP HB3 . . . . . . . . . . 11 . 51400 5
14 2 1 . . 175.171 . . 1 . 1 1 5 ASP C . . . . . . . . . . 170 . 51400 5
15 1 1 . . 2.683 . . 1 . . . . . . . . . . . . . . . . 10 . 51400 5
15 2 1 . . 175.139 . . 1 . 1 1 5 ASP C . . . . . . . . . . 170 . 51400 5
16 1 2 . . 2.821 . . 1 . . . . . . . . . . . . . . . . 8 . 51400 5
16 2 1 . . 175.163 . . 1 . 1 1 5 ASP C . . . . . . . . . . 170 . 51400 5
17 1 1 . . 2.799 . . 1 . 1 1 5 ASP HB2 . . . . . . . . . . 9 . 51400 5
17 2 1 . . 175.153 . . 1 . 1 1 5 ASP C . . . . . . . . . . 170 . 51400 5
18 1 1 . . 8.219 . . 1 . 1 1 15 SER H . . . . . . . . . . 50 . 51400 5
18 2 1 . . 176.621 . . 1 . 1 1 14 LYS C . . . . . . . . . . 171 . 51400 5
19 1 1 . . 4.239 . . 1 . 1 1 14 LYS HA . . . . . . . . . . 112 . 51400 5
19 2 1 . . 176.603 . . 1 . 1 1 14 LYS C . . . . . . . . . . 171 . 51400 5
21 1 1 . . 8.243 . . 1 . 1 1 16 GLN H . . . . . . . . . . 38 . 51400 5
21 2 1 . . 174.283 . . 1 . 1 1 15 SER C . . . . . . . . . . 172 . 51400 5
22 1 1 . . 4.324 . . 1 . 1 1 15 SER HA . . . . . . . . . . 51 . 51400 5
22 2 1 . . 174.254 . . 1 . 1 1 15 SER C . . . . . . . . . . 172 . 51400 5
23 1 1 . . 3.760 . . 1 . 1 1 15 SER HB3 . . . . . . . . . . 53 . 51400 5
23 2 1 . . 174.260 . . 1 . 1 1 15 SER C . . . . . . . . . . 172 . 51400 5
24 1 2 . . 3.793 . . 1 . 1 1 15 SER HB2 . . . . . . . . . . 52 . 51400 5
24 2 1 . . 174.248 . . 1 . 1 1 15 SER C . . . . . . . . . . 172 . 51400 5
25 1 1 . . 4.538 . . 1 . 1 1 8 ASP HA . . . . . . . . . . 72 . 51400 5
25 2 1 . . 175.362 . . 1 . 1 1 8 ASP C . . . . . . . . . . 173 . 51400 5
26 1 1 . . 2.711 . . 1 . 1 1 8 ASP HB3 . . . . . . . . . . 74 . 51400 5
26 2 1 . . 175.396 . . 1 . 1 1 8 ASP C . . . . . . . . . . 173 . 51400 5
27 1 1 . . 2.736 . . 1 . 1 1 8 ASP HB2 . . . . . . . . . . 73 . 51400 5
27 2 1 . . 175.393 . . 1 . 1 1 8 ASP C . . . . . . . . . . 173 . 51400 5
28 1 1 . . 8.437 . . 1 . 1 1 9 HIS H . . . . . . . . . . 12 . 51400 5
28 2 1 . . 175.444 . . 1 . 1 1 8 ASP C . . . . . . . . . . 173 . 51400 5
29 1 1 . . 2.791 . . 1 . 1 1 10 ASP HB2 . . . . . . . . . . 29 . 51400 5
29 2 1 . . 175.514 . . 1 . 1 1 10 ASP C . . . . . . . . . . 174 . 51400 5
30 1 1 . . 2.715 . . 1 . 1 1 10 ASP HB3 . . . . . . . . . . 30 . 51400 5
30 2 1 . . 175.517 . . 1 . 1 1 10 ASP C . . . . . . . . . . 174 . 51400 5
31 1 1 . . 4.577 . . 1 . 1 1 10 ASP HA . . . . . . . . . . 27 . 51400 5
31 2 1 . . 175.538 . . 1 . 1 1 10 ASP C . . . . . . . . . . 174 . 51400 5
32 1 1 . . 3.104 . . 1 . 1 1 9 HIS HB3 . . . . . . . . . . 16 . 51400 5
32 2 1 . . 174.293 . . 1 . 1 1 9 HIS C . . . . . . . . . . 175 . 51400 5
33 1 1 . . 3.227 . . 1 . 1 1 9 HIS HB2 . . . . . . . . . . 15 . 51400 5
33 2 1 . . 174.373 . . 1 . 1 1 9 HIS C . . . . . . . . . . 175 . 51400 5
34 1 1 . . 3.251 . . 1 . . . . . . . . . . . . . . . . 14 . 51400 5
34 2 1 . . 174.265 . . 1 . 1 1 9 HIS C . . . . . . . . . . 175 . 51400 5
35 1 1 . . 8.278 . . 1 . 1 1 10 ASP H . . . . . . . . . . 26 . 51400 5
35 2 1 . . 174.313 . . 1 . 1 1 9 HIS C . . . . . . . . . . 175 . 51400 5
36 1 1 . . 4.173 . . 1 . 1 1 17 GLN HA . . . . . . . . . . 55 . 51400 5
36 2 1 . . 174.916 . . 1 . 1 1 17 GLN C . . . . . . . . . . 176 . 51400 5
37 1 1 . . 1.803 . . 1 . 1 1 17 GLN HB3 . . . . . . . . . . 119 . 51400 5
37 2 1 . . 174.896 . . 1 . 1 1 17 GLN C . . . . . . . . . . 176 . 51400 5
38 1 1 . . 7.983 . . 1 . 1 1 18 TYR H . . . . . . . . . . 75 . 51400 5
38 2 1 . . 174.954 . . 1 . 1 1 17 GLN C . . . . . . . . . . 176 . 51400 5
39 1 1 . . 2.750 . . 1 . 1 1 7 ASN HB2 . . . . . . . . . . 41 . 51400 5
39 2 1 . . 174.939 . . 1 . 1 1 7 ASN C . . . . . . . . . . 177 . 51400 5
40 1 1 . . 2.769 . . 1 . . . . . . . . . . . . . . . . 40 . 51400 5
40 2 1 . . 174.958 . . 1 . 1 1 7 ASN C . . . . . . . . . . 177 . 51400 5
41 1 1 . . 2.654 . . 1 . 1 1 7 ASN HB3 . . . . . . . . . . 42 . 51400 5
41 2 1 . . 174.962 . . 1 . 1 1 7 ASN C . . . . . . . . . . 177 . 51400 5
42 1 1 . . 4.560 . . 1 . 1 1 7 ASN HA . . . . . . . . . . 49 . 51400 5
42 2 1 . . 174.978 . . 1 . 1 1 7 ASN C . . . . . . . . . . 177 . 51400 5
43 1 1 . . 8.076 . . 1 . 1 1 8 ASP H . . . . . . . . . . 71 . 51400 5
43 2 1 . . 174.984 . . 1 . 1 1 7 ASN C . . . . . . . . . . 177 . 51400 5
44 1 1 . . 4.315 . . 1 . 1 1 12 SER HA . . . . . . . . . . 32 . 51400 5
44 2 1 . . 174.631 . . 1 . 1 1 12 SER C . . . . . . . . . . 178 . 51400 5
45 1 1 . . 3.791 . . 1 . 1 1 12 SER HB2 . . . . . . . . . . 33 . 51400 5
45 2 1 . . 174.631 . . 1 . 1 1 12 SER C . . . . . . . . . . 178 . 51400 5
46 1 1 . . 8.194 . . 1 . 1 1 13 ARG H . . . . . . . . . . 62 . 51400 5
46 2 1 . . 174.632 . . 1 . 1 1 12 SER C . . . . . . . . . . 178 . 51400 5
47 1 1 . . 4.223 . . 1 . 1 1 16 GLN HA . . . . . . . . . . 39 . 51400 5
47 2 1 . . 175.229 . . 1 . 1 1 16 GLN C . . . . . . . . . . 179 . 51400 5
48 1 1 . . 8.197 . . 1 . 1 1 17 GLN H . . . . . . . . . . 54 . 51400 5
48 2 1 . . 175.238 . . 1 . 1 1 16 GLN C . . . . . . . . . . 179 . 51400 5
49 1 1 . . 4.258 . . 1 . 1 1 11 GLN HA . . . . . . . . . . 18 . 51400 5
49 2 1 . . 176.119 . . 1 . 1 1 11 GLN C . . . . . . . . . . 181 . 51400 5
50 1 1 . . 8.263 . . 1 . 1 1 12 SER H . . . . . . . . . . 31 . 51400 5
50 2 1 . . 176.100 . . 1 . 1 1 11 GLN C . . . . . . . . . . 181 . 51400 5
51 1 1 . . 8.255 . . 1 . 1 1 14 LYS H . . . . . . . . . . 116 . 51400 5
51 2 1 . . 174.738 . . 1 . 1 1 13 ARG C . . . . . . . . . . 182 . 51400 5
52 1 1 . . 3.733 . . 1 . 1 1 1 THR HA . . . . . . . . . . 102 . 51400 5
52 2 1 . . 69.045 . . 1 . 1 1 1 THR CB . . . . . . . . . . 92 . 51400 5
53 1 1 . . 1.150 . . 1 . 1 1 1 THR HG1 . . . . . . . . . . 103 . 51400 5
53 2 1 . . 69.052 . . 1 . 1 1 1 THR CB . . . . . . . . . . 92 . 51400 5
54 1 1 . . 1.152 . . 1 . 1 1 1 THR HG1 . . . . . . . . . . 103 . 51400 5
54 2 1 . . 61.293 . . 1 . 1 1 1 THR CA . . . . . . . . . . 183 . 51400 5
55 1 1 . . 4.150 . . 1 . 1 1 6 ALA HA . . . . . . . . . . 23 . 51400 5
55 2 1 . . 19.084 . . 1 . 1 1 6 ALA CB . . . . . . . . . . 99 . 51400 5
56 1 1 . . 3.882 . . 1 . 1 1 4 VAL HA . . . . . . . . . . 67 . 51400 5
56 2 1 . . 20.532 . . 1 . 1 1 4 VAL CG1 . . . . . . . . . . 126 . 51400 5
57 1 1 . . 3.733 . . 1 . 1 1 1 THR HA . . . . . . . . . . 102 . 51400 5
57 2 1 . . 21.378 . . 1 . 1 1 1 THR CG2 . . . . . . . . . . 104 . 51400 5
58 1 1 . . 3.092 . . 1 . 1 1 13 ARG HD2 . . . . . . . . . . 113 . 51400 5
58 2 1 . . 27.013 . . 1 . 1 1 13 ARG CG . . . . . . . . . . 123 . 51400 5
59 1 1 . . 3.091 . . 1 . 1 1 13 ARG HD2 . . . . . . . . . . 113 . 51400 5
59 2 1 . . 30.623 . . 1 . 1 1 13 ARG CB . . . . . . . . . . 128 . 51400 5
60 1 1 . . 3.885 . . 1 . 1 1 4 VAL HA . . . . . . . . . . 67 . 51400 5
60 2 1 . . 32.821 . . 1 . 1 1 4 VAL CB . . . . . . . . . . 131 . 51400 5
61 1 1 . . 1.577 . . 1 . 1 1 14 LYS HD2 . . . . . . . . . . 109 . 51400 5
61 2 1 . . 42.114 . . 1 . 1 1 14 LYS CE . . . . . . . . . . 121 . 51400 5
62 1 1 . . 0.836 . . 1 . 1 1 4 VAL MG1 . . . . . . . . . . 70 . 51400 5
62 2 1 . . 32.820 . . 1 . 1 1 4 VAL CB . . . . . . . . . . 131 . 51400 5
63 1 1 . . 0.813 . . 1 . 1 1 4 VAL MG1 . . . . . . . . . . 70 . 51400 5
63 2 1 . . 32.824 . . 1 . 1 1 4 VAL CB . . . . . . . . . . 131 . 51400 5
64 1 1 . . 1.277 . . 1 . 1 1 6 ALA MB . . . . . . . . . . 25 . 51400 5
64 2 1 . . 52.899 . . 1 . 1 1 6 ALA CA . . . . . . . . . . 79 . 51400 5
65 1 1 . . 1.585 . . 1 . 1 1 14 LYS HD2 . . . . . . . . . . 109 . 51400 5
65 2 1 . . 24.700 . . 1 . 1 1 14 LYS CG . . . . . . . . . . 122 . 51400 5
66 1 1 . . 2.737 . . 1 . 1 1 8 ASP HB2 . . . . . . . . . . 73 . 51400 5
66 2 1 . . 53.400 . . 1 . 1 1 8 ASP CA . . . . . . . . . . 89 . 51400 5
67 1 1 . . 2.818 . . 1 . . . . . . . . . . . . . . . . 8 . 51400 5
67 2 1 . . 53.125 . . 1 . 1 1 5 ASP CA . . . . . . . . . . 141 . 51400 5
68 1 1 . . 2.795 . . 1 . 1 1 5 ASP HB2 . . . . . . . . . . 9 . 51400 5
68 2 1 . . 53.114 . . 1 . 1 1 5 ASP CA . . . . . . . . . . 141 . 51400 5
69 1 1 . . 2.675 . . 1 . 1 1 5 ASP HB3 . . . . . . . . . . 11 . 51400 5
69 2 1 . . 53.117 . . 1 . 1 1 5 ASP CA . . . . . . . . . . 141 . 51400 5
70 1 1 . . 2.656 . . 1 . 1 1 5 ASP HB3 . . . . . . . . . . 11 . 51400 5
70 2 1 . . 53.110 . . 1 . 1 1 5 ASP CA . . . . . . . . . . 141 . 51400 5
71 1 1 . . 2.786 . . 1 . 1 1 10 ASP HB2 . . . . . . . . . . 29 . 51400 5
71 2 1 . . 53.667 . . 1 . 1 1 10 ASP CA . . . . . . . . . . 185 . 51400 5
72 1 1 . . 2.628 . . 1 . 1 1 7 ASN HB3 . . . . . . . . . . 42 . 51400 5
72 2 1 . . 53.174 . . 1 . 1 1 7 ASN CA . . . . . . . . . . 184 . 51400 5
73 1 1 . . 2.644 . . 1 . 1 1 7 ASN HB3 . . . . . . . . . . 42 . 51400 5
73 2 1 . . 53.187 . . 1 . 1 1 7 ASN CA . . . . . . . . . . 184 . 51400 5
74 1 1 . . 2.750 . . 1 . 1 1 7 ASN HB2 . . . . . . . . . . 41 . 51400 5
74 2 1 . . 53.216 . . 1 . 1 1 7 ASN CA . . . . . . . . . . 184 . 51400 5
75 1 1 . . 2.807 . . 1 . . . . . . . . . . . . . . . . 28 . 51400 5
75 2 1 . . 53.681 . . 1 . 1 1 10 ASP CA . . . . . . . . . . 185 . 51400 5
76 1 1 . . 2.707 . . 1 . 1 1 10 ASP HB3 . . . . . . . . . . 30 . 51400 5
76 2 1 . . 53.690 . . 1 . 1 1 10 ASP CA . . . . . . . . . . 185 . 51400 5
77 1 1 . . 8.445 . . 1 . 1 1 9 HIS H . . . . . . . . . . 12 . 51400 5
77 2 1 . . 55.458 . . 1 . 1 1 9 HIS CA . . . . . . . . . . 90 . 51400 5
78 1 1 . . 8.493 . . 1 . 1 1 5 ASP H . . . . . . . . . . 6 . 51400 5
78 2 1 . . 53.043 . . 1 . 1 1 5 ASP CA . . . . . . . . . . 141 . 51400 5
79 1 1 . . 8.309 . . 1 . 1 1 6 ALA H . . . . . . . . . . 24 . 51400 5
79 2 1 . . 52.998 . . 1 . 1 1 6 ALA CA . . . . . . . . . . 79 . 51400 5
80 1 1 . . 8.283 . . 1 . 1 1 10 ASP H . . . . . . . . . . 26 . 51400 5
80 2 1 . . 53.647 . . 1 . 1 1 10 ASP CA . . . . . . . . . . 185 . 51400 5
81 1 1 . . 8.244 . . 1 . 1 1 16 GLN H . . . . . . . . . . 38 . 51400 5
81 2 1 . . 55.812 . . 1 . 1 1 16 GLN CA . . . . . . . . . . 83 . 51400 5
83 1 1 . . 6.847 . . 1 . 1 1 7 ASN HD22 . . . . . . . . . . 101 . 51400 5
83 2 1 . . 38.619 . . 1 . 1 1 7 ASN CB . . . . . . . . . . 136 . 51400 5
84 1 1 . . 2.911 . . 1 . 1 1 2 TYR HB2 . . . . . . . . . . 3 . 51400 5
84 2 2 . . 174.733 . . 1 . 1 1 2 TYR C . . . . . . . . . . 186 . 51400 5
87 1 1 . . 4.466 . . 1 . 1 1 18 TYR HA . . . . . . . . . . 76 . 51400 5
87 2 1 . . 178.368 . . 1 . 1 1 18 TYR C . . . . . . . . . . 187 . 51400 5
88 1 1 . . 3.049 . . 1 . 1 1 18 TYR HB2 . . . . . . . . . . 77 . 51400 5
88 2 1 . . 178.447 . . 1 . 1 1 18 TYR C . . . . . . . . . . 187 . 51400 5
89 1 1 . . 3.065 . . 1 . 1 1 18 TYR HB2 . . . . . . . . . . 77 . 51400 5
89 2 1 . . 178.428 . . 1 . 1 1 18 TYR C . . . . . . . . . . 187 . 51400 5
90 1 1 . . 8.261 . . 1 . 1 1 12 SER H . . . . . . . . . . 31 . 51400 5
90 2 1 . . 63.621 . . 1 . 1 1 12 SER CB . . . . . . . . . . 95 . 51400 5
stop_
save_