Content for NMR-STAR saveframe, "assigned_chemical_shifts_2"
save_assigned_chemical_shifts_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2
_Assigned_chem_shift_list.Entry_ID 50734
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name 'oxidized SelW1 chemical shifts'
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '3D HNCACB' . . . 50734 2
2 '3D HNCO' . . . 50734 2
3 '3D HNCA' . . . 50734 2
4 '3D HBHA(CO)NH' . . . 50734 2
5 '3D HN(CO)CA' . . . 50734 2
6 '3D HN(CA)CO' . . . 50734 2
7 '3D HCCH-TOCSY' . . . 50734 2
8 '3D HCCH-COSY' . . . 50734 2
9 '3D 1H-15N TOCSY' . . . 50734 2
10 '3D 1H-15N NOESY' . . . 50734 2
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50734 2
2 $software_2 . . 50734 2
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 2 . 1 3 3 PRO HA H 1 4.526 0.001 . 1 . . 918 . . 3 PRO HA . 50734 2
2 . 2 . 1 3 3 PRO HB2 H 1 1.662 . . 2 . . 922 . . 3 PRO HB2 . 50734 2
3 . 2 . 1 3 3 PRO HB3 H 1 2.301 . . 2 . . 923 . . 3 PRO HB3 . 50734 2
4 . 2 . 1 3 3 PRO C C 13 176.936 0.022 . 1 . . 631 . . 3 PRO C . 50734 2
5 . 2 . 1 3 3 PRO CA C 13 63.329 0.024 . 1 . . 630 . . 3 PRO CA . 50734 2
6 . 2 . 1 3 3 PRO CB C 13 32.205 0.084 . 1 . . 217 . . 3 PRO CB . 50734 2
7 . 2 . 1 4 4 VAL H H 1 8.420 0.018 . 1 . . 153 . . 4 VAL H . 50734 2
8 . 2 . 1 4 4 VAL HA H 1 4.642 0.005 . 1 . . 919 . . 4 VAL HA . 50734 2
9 . 2 . 1 4 4 VAL HB H 1 1.779 0.003 . 1 . . 917 . . 4 VAL HB . 50734 2
10 . 2 . 1 4 4 VAL C C 13 174.446 0.022 . 1 . . 617 . . 4 VAL C . 50734 2
11 . 2 . 1 4 4 VAL CA C 13 61.273 0.034 . 1 . . 628 . . 4 VAL CA . 50734 2
12 . 2 . 1 4 4 VAL CB C 13 34.719 0.065 . 1 . . 216 . . 4 VAL CB . 50734 2
13 . 2 . 1 4 4 VAL N N 15 122.417 0.07 . 1 . . 154 . . 4 VAL N . 50734 2
14 . 2 . 1 5 5 GLN H H 1 8.844 0.01 . 1 . . 117 . . 5 GLN H . 50734 2
15 . 2 . 1 5 5 GLN HA H 1 4.911 0.018 . 1 . . 920 . . 5 GLN HA . 50734 2
16 . 2 . 1 5 5 GLN HB2 H 1 2.064 0.022 . 1 . . 924 . . 5 GLN HB2 . 50734 2
17 . 2 . 1 5 5 GLN HB3 H 1 2.064 0.022 . 1 . . 925 . . 5 GLN HB3 . 50734 2
18 . 2 . 1 5 5 GLN HE21 H 1 6.673 0.028 . 1 . . 685 . . 5 GLN HE21 . 50734 2
19 . 2 . 1 5 5 GLN HE22 H 1 7.327 0.019 . 1 . . 690 . . 5 GLN HE22 . 50734 2
20 . 2 . 1 5 5 GLN C C 13 175.150 0.01 . 1 . . 621 . . 5 GLN C . 50734 2
21 . 2 . 1 5 5 GLN CA C 13 54.051 0.061 . 1 . . 620 . . 5 GLN CA . 50734 2
22 . 2 . 1 5 5 GLN CB C 13 30.178 0.059 . 1 . . 692 . . 5 GLN CB . 50734 2
23 . 2 . 1 5 5 GLN CG C 13 33.427 . . 1 . . 694 . . 5 GLN CG . 50734 2
24 . 2 . 1 5 5 GLN CD C 13 179.587 0.006 . 1 . . 693 . . 5 GLN CD . 50734 2
25 . 2 . 1 5 5 GLN N N 15 127.860 0.06 . 1 . . 118 . . 5 GLN N . 50734 2
26 . 2 . 1 5 5 GLN NE2 N 15 110.822 0.212 . 1 . . 691 . . 5 GLN NE2 . 50734 2
27 . 2 . 1 6 6 VAL H H 1 9.027 0.013 . 1 . . 102 . . 6 VAL H . 50734 2
28 . 2 . 1 6 6 VAL HA H 1 4.909 . . 1 . . 921 . . 6 VAL HA . 50734 2
29 . 2 . 1 6 6 VAL C C 13 173.834 . . 1 . . 606 . . 6 VAL C . 50734 2
30 . 2 . 1 6 6 VAL CA C 13 61.456 0.022 . 1 . . 607 . . 6 VAL CA . 50734 2
31 . 2 . 1 6 6 VAL CB C 13 32.557 . . 1 . . 240 . . 6 VAL CB . 50734 2
32 . 2 . 1 6 6 VAL N N 15 129.354 0.066 . 1 . . 103 . . 6 VAL N . 50734 2
33 . 2 . 1 30 30 LYS HA H 1 3.801 . . 1 . . 902 . . 30 LYS HA . 50734 2
34 . 2 . 1 30 30 LYS HB2 H 1 1.186 . . 2 . . 911 . . 30 LYS HB2 . 50734 2
35 . 2 . 1 30 30 LYS HB3 H 1 0.965 0.004 . 2 . . 913 . . 30 LYS HB3 . 50734 2
36 . 2 . 1 30 30 LYS CA C 13 55.990 0.029 . 1 . . 648 . . 30 LYS CA . 50734 2
37 . 2 . 1 30 30 LYS CB C 13 32.378 . . 1 . . 646 . . 30 LYS CB . 50734 2
38 . 2 . 1 31 31 PHE H H 1 7.673 0.011 . 1 . . 562 . . 31 PHE H . 50734 2
39 . 2 . 1 31 31 PHE HA H 1 4.991 . . 1 . . 899 . . 31 PHE HA . 50734 2
40 . 2 . 1 31 31 PHE HB2 H 1 2.861 . . 1 . . 906 . . 31 PHE HB2 . 50734 2
41 . 2 . 1 31 31 PHE HB3 H 1 2.861 . . 1 . . 907 . . 31 PHE HB3 . 50734 2
42 . 2 . 1 31 31 PHE C C 13 173.541 . . 1 . . 645 . . 31 PHE C . 50734 2
43 . 2 . 1 31 31 PHE CA C 13 54.519 0.039 . 1 . . 647 . . 31 PHE CA . 50734 2
44 . 2 . 1 31 31 PHE N N 15 115.728 0.076 . 1 . . 561 . . 31 PHE N . 50734 2
45 . 2 . 1 32 32 PRO HA H 1 4.617 . . 1 . . 892 . . 32 PRO HA . 50734 2
46 . 2 . 1 32 32 PRO HB2 H 1 2.321 . . 2 . . 983 . . 32 PRO HB2 . 50734 2
47 . 2 . 1 32 32 PRO HB3 H 1 1.978 . . 2 . . 984 . . 32 PRO HB3 . 50734 2
48 . 2 . 1 32 32 PRO C C 13 178.446 0.018 . 1 . . 572 . . 32 PRO C . 50734 2
49 . 2 . 1 32 32 PRO CA C 13 64.775 0.078 . 1 . . 573 . . 32 PRO CA . 50734 2
50 . 2 . 1 32 32 PRO CB C 13 31.799 . . 1 . . 574 . . 32 PRO CB . 50734 2
51 . 2 . 1 33 33 ASN H H 1 8.868 0.018 . 1 . . 42 . . 33 ASN H . 50734 2
52 . 2 . 1 33 33 ASN HA H 1 4.826 0.018 . 1 . . 888 . . 33 ASN HA . 50734 2
53 . 2 . 1 33 33 ASN HB2 H 1 2.752 . . 2 . . 883 . . 33 ASN HB2 . 50734 2
54 . 2 . 1 33 33 ASN HB3 H 1 3.013 0.012 . 2 . . 884 . . 33 ASN HB3 . 50734 2
55 . 2 . 1 33 33 ASN C C 13 174.368 0.01 . 1 . . 569 . . 33 ASN C . 50734 2
56 . 2 . 1 33 33 ASN CA C 13 53.305 0.089 . 1 . . 571 . . 33 ASN CA . 50734 2
57 . 2 . 1 33 33 ASN CB C 13 38.688 0.011 . 1 . . 566 . . 33 ASN CB . 50734 2
58 . 2 . 1 33 33 ASN N N 15 115.826 0.042 . 1 . . 43 . . 33 ASN N . 50734 2
59 . 2 . 1 34 34 ALA H H 1 7.325 0.007 . 1 . . 563 . . 34 ALA H . 50734 2
60 . 2 . 1 34 34 ALA HA H 1 4.488 0.021 . 1 . . 887 . . 34 ALA HA . 50734 2
61 . 2 . 1 34 34 ALA HB1 H 1 1.435 0.0 . 1 . . 878 . . 34 ALA HB1 . 50734 2
62 . 2 . 1 34 34 ALA HB2 H 1 1.435 0.0 . 1 . . 878 . . 34 ALA HB2 . 50734 2
63 . 2 . 1 34 34 ALA HB3 H 1 1.435 0.0 . 1 . . 878 . . 34 ALA HB3 . 50734 2
64 . 2 . 1 34 34 ALA C C 13 177.259 0.04 . 1 . . 557 . . 34 ALA C . 50734 2
65 . 2 . 1 34 34 ALA CA C 13 51.391 0.065 . 1 . . 556 . . 34 ALA CA . 50734 2
66 . 2 . 1 34 34 ALA CB C 13 22.341 0.055 . 1 . . 555 . . 34 ALA CB . 50734 2
67 . 2 . 1 34 34 ALA N N 15 121.912 0.047 . 1 . . 564 . . 34 ALA N . 50734 2
68 . 2 . 1 35 35 ASP H H 1 8.663 0.027 . 1 . . 56 . . 35 ASP H . 50734 2
69 . 2 . 1 35 35 ASP HA H 1 4.675 0.005 . 1 . . 853 . . 35 ASP HA . 50734 2
70 . 2 . 1 35 35 ASP HB2 H 1 2.899 0.011 . 2 . . 875 . . 35 ASP HB2 . 50734 2
71 . 2 . 1 35 35 ASP HB3 H 1 2.467 0.015 . 2 . . 876 . . 35 ASP HB3 . 50734 2
72 . 2 . 1 35 35 ASP C C 13 173.698 0.021 . 1 . . 549 . . 35 ASP C . 50734 2
73 . 2 . 1 35 35 ASP CA C 13 53.431 0.093 . 1 . . 554 . . 35 ASP CA . 50734 2
74 . 2 . 1 35 35 ASP CB C 13 38.930 0.089 . 1 . . 553 . . 35 ASP CB . 50734 2
75 . 2 . 1 35 35 ASP N N 15 122.623 0.049 . 1 . . 57 . . 35 ASP N . 50734 2
76 . 2 . 1 36 36 ILE H H 1 7.524 0.007 . 1 . . 28 . . 36 ILE H . 50734 2
77 . 2 . 1 36 36 ILE HA H 1 4.591 0.014 . 1 . . 851 . . 36 ILE HA . 50734 2
78 . 2 . 1 36 36 ILE HB H 1 1.418 0.008 . 1 . . 868 . . 36 ILE HB . 50734 2
79 . 2 . 1 36 36 ILE C C 13 175.106 0.008 . 1 . . 548 . . 36 ILE C . 50734 2
80 . 2 . 1 36 36 ILE CA C 13 59.850 0.023 . 1 . . 547 . . 36 ILE CA . 50734 2
81 . 2 . 1 36 36 ILE CB C 13 40.849 0.056 . 1 . . 234 . . 36 ILE CB . 50734 2
82 . 2 . 1 36 36 ILE N N 15 123.286 0.043 . 1 . . 29 . . 36 ILE N . 50734 2
83 . 2 . 1 37 37 LYS H H 1 8.611 0.003 . 1 . . 16 . . 37 LYS H . 50734 2
84 . 2 . 1 37 37 LYS HA H 1 4.706 0.017 . 1 . . 856 . . 37 LYS HA . 50734 2
85 . 2 . 1 37 37 LYS HB2 H 1 1.775 . . 1 . . 869 . . 37 LYS HB2 . 50734 2
86 . 2 . 1 37 37 LYS HB3 H 1 1.775 . . 1 . . 870 . . 37 LYS HB3 . 50734 2
87 . 2 . 1 37 37 LYS C C 13 174.665 0.013 . 1 . . 412 . . 37 LYS C . 50734 2
88 . 2 . 1 37 37 LYS CA C 13 54.673 0.069 . 1 . . 411 . . 37 LYS CA . 50734 2
89 . 2 . 1 37 37 LYS CB C 13 34.944 0.07 . 1 . . 274 . . 37 LYS CB . 50734 2
90 . 2 . 1 37 37 LYS N N 15 127.931 0.051 . 1 . . 17 . . 37 LYS N . 50734 2
91 . 2 . 1 38 38 PHE H H 1 8.957 0.027 . 1 . . 139 . . 38 PHE H . 50734 2
92 . 2 . 1 38 38 PHE HA H 1 5.673 . . 1 . . 857 . . 38 PHE HA . 50734 2
93 . 2 . 1 38 38 PHE HB2 H 1 3.526 . . 2 . . 859 . . 38 PHE HB2 . 50734 2
94 . 2 . 1 38 38 PHE HB3 H 1 2.944 . . 2 . . 860 . . 38 PHE HB3 . 50734 2
95 . 2 . 1 38 38 PHE C C 13 176.431 0.043 . 1 . . 535 . . 38 PHE C . 50734 2
96 . 2 . 1 38 38 PHE CA C 13 57.655 0.014 . 1 . . 537 . . 38 PHE CA . 50734 2
97 . 2 . 1 38 38 PHE CB C 13 41.667 0.072 . 1 . . 536 . . 38 PHE CB . 50734 2
98 . 2 . 1 38 38 PHE N N 15 122.705 0.054 . 1 . . 140 . . 38 PHE N . 50734 2
99 . 2 . 1 39 39 SER H H 1 9.591 0.01 . 1 . . 533 . . 39 SER H . 50734 2
100 . 2 . 1 39 39 SER HB2 H 1 3.878 0.002 . 1 . . 985 . . 39 SER HB2 . 50734 2
101 . 2 . 1 39 39 SER C C 13 172.301 . . 1 . . 534 . . 39 SER C . 50734 2
102 . 2 . 1 39 39 SER CB C 13 65.828 . . 1 . . 538 . . 39 SER CB . 50734 2
103 . 2 . 1 39 39 SER N N 15 117.777 0.038 . 1 . . 532 . . 39 SER N . 50734 2
104 . 2 . 1 53 53 GLU C C 13 176.252 . . 1 . . 598 . . 53 GLU C . 50734 2
105 . 2 . 1 53 53 GLU CA C 13 54.107 . . 1 . . 601 . . 53 GLU CA . 50734 2
106 . 2 . 1 53 53 GLU CB C 13 33.647 . . 1 . . 600 . . 53 GLU CB . 50734 2
107 . 2 . 1 54 54 VAL H H 1 8.835 0.003 . 1 . . 599 . . 54 VAL H . 50734 2
108 . 2 . 1 54 54 VAL HA H 1 4.644 0.013 . 1 . . 916 . . 54 VAL HA . 50734 2
109 . 2 . 1 54 54 VAL HB H 1 1.983 . . 1 . . 494 . . 54 VAL HB . 50734 2
110 . 2 . 1 54 54 VAL C C 13 175.989 0.016 . 1 . . 588 . . 54 VAL C . 50734 2
111 . 2 . 1 54 54 VAL CA C 13 61.154 0.044 . 1 . . 590 . . 54 VAL CA . 50734 2
112 . 2 . 1 54 54 VAL CB C 13 33.584 0.079 . 1 . . 593 . . 54 VAL CB . 50734 2
113 . 2 . 1 54 54 VAL N N 15 120.877 0.031 . 1 . . 597 . . 54 VAL N . 50734 2
114 . 2 . 1 55 55 ASN H H 1 9.841 0.011 . 1 . . 76 . . 55 ASN H . 50734 2
115 . 2 . 1 55 55 ASN HA H 1 4.553 . . 1 . . 683 . . 55 ASN HA . 50734 2
116 . 2 . 1 55 55 ASN HB2 H 1 2.848 0.01 . 2 . . 682 . . 55 ASN HB2 . 50734 2
117 . 2 . 1 55 55 ASN HB3 H 1 3.285 0.009 . 2 . . 684 . . 55 ASN HB3 . 50734 2
118 . 2 . 1 55 55 ASN HD21 H 1 7.843 0.042 . 1 . . 161 . . 55 ASN HD21 . 50734 2
119 . 2 . 1 55 55 ASN HD22 H 1 7.013 0.024 . 1 . . 716 . . 55 ASN HD22 . 50734 2
120 . 2 . 1 55 55 ASN C C 13 175.766 0.015 . 1 . . 586 . . 55 ASN C . 50734 2
121 . 2 . 1 55 55 ASN CA C 13 53.989 0.024 . 1 . . 583 . . 55 ASN CA . 50734 2
122 . 2 . 1 55 55 ASN CB C 13 36.343 0.043 . 1 . . 265 . . 55 ASN CB . 50734 2
123 . 2 . 1 55 55 ASN N N 15 130.752 0.084 . 1 . . 77 . . 55 ASN N . 50734 2
124 . 2 . 1 55 55 ASN ND2 N 15 109.468 0.095 . 1 . . 162 . . 55 ASN ND2 . 50734 2
125 . 2 . 1 56 56 GLY H H 1 9.066 0.025 . 1 . . 585 . . 56 GLY H . 50734 2
126 . 2 . 1 56 56 GLY C C 13 173.114 . . 1 . . 587 . . 56 GLY C . 50734 2
127 . 2 . 1 56 56 GLY N N 15 103.340 0.073 . 1 . . 584 . . 56 GLY N . 50734 2
128 . 2 . 1 81 81 LYS HA H 1 4.251 . . 1 . . 957 . . 81 LYS HA . 50734 2
129 . 2 . 1 81 81 LYS HB2 H 1 2.215 . . 1 . . 955 . . 81 LYS HB2 . 50734 2
130 . 2 . 1 81 81 LYS HB3 H 1 2.215 . . 1 . . 956 . . 81 LYS HB3 . 50734 2
131 . 2 . 1 81 81 LYS C C 13 179.847 . . 1 . . 636 . . 81 LYS C . 50734 2
132 . 2 . 1 81 81 LYS CA C 13 57.367 0.064 . 1 . . 638 . . 81 LYS CA . 50734 2
133 . 2 . 1 81 81 LYS CB C 13 31.571 . . 1 . . 640 . . 81 LYS CB . 50734 2
134 . 2 . 1 82 82 ILE H H 1 8.295 0.012 . 1 . . 526 . . 82 ILE H . 50734 2
135 . 2 . 1 82 82 ILE HA H 1 3.431 0.006 . 1 . . 958 . . 82 ILE HA . 50734 2
136 . 2 . 1 82 82 ILE HB H 1 1.902 0.007 . 1 . . 959 . . 82 ILE HB . 50734 2
137 . 2 . 1 82 82 ILE C C 13 177.187 0.01 . 1 . . 637 . . 82 ILE C . 50734 2
138 . 2 . 1 82 82 ILE CA C 13 66.144 0.024 . 1 . . 525 . . 82 ILE CA . 50734 2
139 . 2 . 1 82 82 ILE CB C 13 37.568 0.055 . 1 . . 639 . . 82 ILE CB . 50734 2
140 . 2 . 1 82 82 ILE N N 15 122.026 0.067 . 1 . . 527 . . 82 ILE N . 50734 2
141 . 2 . 1 83 83 GLY H H 1 9.026 0.016 . 1 . . 169 . . 83 GLY H . 50734 2
142 . 2 . 1 83 83 GLY HA2 H 1 3.637 0.01 . 2 . . 960 . . 83 GLY HA2 . 50734 2
143 . 2 . 1 83 83 GLY HA3 H 1 4.156 0.027 . 2 . . 961 . . 83 GLY HA3 . 50734 2
144 . 2 . 1 83 83 GLY C C 13 177.135 0.057 . 1 . . 523 . . 83 GLY C . 50734 2
145 . 2 . 1 83 83 GLY CA C 13 47.314 0.051 . 1 . . 288 . . 83 GLY CA . 50734 2
146 . 2 . 1 83 83 GLY N N 15 107.066 0.084 . 1 . . 170 . . 83 GLY N . 50734 2
147 . 2 . 1 84 84 GLU H H 1 7.996 0.011 . 1 . . 151 . . 84 GLU H . 50734 2
148 . 2 . 1 84 84 GLU HA H 1 4.068 0.013 . 1 . . 969 . . 84 GLU HA . 50734 2
149 . 2 . 1 84 84 GLU HB2 H 1 2.174 0.022 . 1 . . 965 . . 84 GLU HB2 . 50734 2
150 . 2 . 1 84 84 GLU HB3 H 1 2.174 0.022 . 1 . . 966 . . 84 GLU HB3 . 50734 2
151 . 2 . 1 84 84 GLU C C 13 178.833 0.018 . 1 . . 513 . . 84 GLU C . 50734 2
152 . 2 . 1 84 84 GLU CA C 13 59.223 0.041 . 1 . . 644 . . 84 GLU CA . 50734 2
153 . 2 . 1 84 84 GLU CB C 13 29.900 0.071 . 1 . . 520 . . 84 GLU CB . 50734 2
154 . 2 . 1 84 84 GLU N N 15 121.001 0.051 . 1 . . 152 . . 84 GLU N . 50734 2
155 . 2 . 1 85 85 ALA H H 1 7.591 0.002 . 1 . . 387 . . 85 ALA H . 50734 2
156 . 2 . 1 85 85 ALA HA H 1 4.122 0.013 . 1 . . 972 . . 85 ALA HA . 50734 2
157 . 2 . 1 85 85 ALA HB1 H 1 1.484 0.023 . 1 . . 973 . . 85 ALA HB1 . 50734 2
158 . 2 . 1 85 85 ALA HB2 H 1 1.484 0.023 . 1 . . 973 . . 85 ALA HB2 . 50734 2
159 . 2 . 1 85 85 ALA HB3 H 1 1.484 0.023 . 1 . . 973 . . 85 ALA HB3 . 50734 2
160 . 2 . 1 85 85 ALA C C 13 180.850 0.015 . 1 . . 511 . . 85 ALA C . 50734 2
161 . 2 . 1 85 85 ALA CA C 13 54.810 0.077 . 1 . . 516 . . 85 ALA CA . 50734 2
162 . 2 . 1 85 85 ALA CB C 13 18.551 0.073 . 1 . . 245 . . 85 ALA CB . 50734 2
163 . 2 . 1 85 85 ALA N N 15 122.156 0.051 . 1 . . 386 . . 85 ALA N . 50734 2
164 . 2 . 1 86 86 LEU H H 1 8.493 0.022 . 1 . . 175 . . 86 LEU H . 50734 2
165 . 2 . 1 86 86 LEU HA H 1 4.277 0.012 . 1 . . 982 . . 86 LEU HA . 50734 2
166 . 2 . 1 86 86 LEU HB2 H 1 1.828 . . 2 . . 976 . . 86 LEU HB2 . 50734 2
167 . 2 . 1 86 86 LEU HB3 H 1 1.378 . . 2 . . 977 . . 86 LEU HB3 . 50734 2
168 . 2 . 1 86 86 LEU C C 13 178.247 0.011 . 1 . . 512 . . 86 LEU C . 50734 2
169 . 2 . 1 86 86 LEU CA C 13 57.001 0.071 . 1 . . 515 . . 86 LEU CA . 50734 2
170 . 2 . 1 86 86 LEU CB C 13 42.439 0.072 . 1 . . 244 . . 86 LEU CB . 50734 2
171 . 2 . 1 86 86 LEU N N 15 119.805 0.116 . 1 . . 176 . . 86 LEU N . 50734 2
172 . 2 . 1 87 87 ALA H H 1 7.239 0.004 . 1 . . 202 . . 87 ALA H . 50734 2
173 . 2 . 1 87 87 ALA HA H 1 4.320 0.012 . 1 . . 838 . . 87 ALA HA . 50734 2
174 . 2 . 1 87 87 ALA HB1 H 1 1.499 0.009 . 1 . . 842 . . 87 ALA HB1 . 50734 2
175 . 2 . 1 87 87 ALA HB2 H 1 1.499 0.009 . 1 . . 842 . . 87 ALA HB2 . 50734 2
176 . 2 . 1 87 87 ALA HB3 H 1 1.499 0.009 . 1 . . 842 . . 87 ALA HB3 . 50734 2
177 . 2 . 1 87 87 ALA C C 13 177.581 0.012 . 1 . . 407 . . 87 ALA C . 50734 2
178 . 2 . 1 87 87 ALA CA C 13 52.625 0.045 . 1 . . 408 . . 87 ALA CA . 50734 2
179 . 2 . 1 87 87 ALA CB C 13 18.948 0.018 . 1 . . 285 . . 87 ALA CB . 50734 2
180 . 2 . 1 87 87 ALA N N 15 119.159 0.063 . 1 . . 203 . . 87 ALA N . 50734 2
181 . 2 . 1 88 88 LYS H H 1 7.133 0.004 . 1 . . 78 . . 88 LYS H . 50734 2
182 . 2 . 1 88 88 LYS HA H 1 4.047 0.019 . 1 . . 840 . . 88 LYS HA . 50734 2
183 . 2 . 1 88 88 LYS HB2 H 1 1.851 0.004 . 1 . . 846 . . 88 LYS HB2 . 50734 2
184 . 2 . 1 88 88 LYS HB3 H 1 1.851 0.004 . 1 . . 847 . . 88 LYS HB3 . 50734 2
185 . 2 . 1 88 88 LYS C C 13 181.828 . . 1 . . 410 . . 88 LYS C . 50734 2
186 . 2 . 1 88 88 LYS CA C 13 58.960 0.052 . 1 . . 409 . . 88 LYS CA . 50734 2
187 . 2 . 1 88 88 LYS CB C 13 33.204 . . 1 . . 221 . . 88 LYS CB . 50734 2
188 . 2 . 1 88 88 LYS N N 15 123.682 0.036 . 1 . . 79 . . 88 LYS N . 50734 2
stop_
save_