Content for NMR-STAR saveframe, "chem_shift_list_1"
save_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 6909
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing
_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 2D_1H-15N_HSQC 1 $sample_1 isotropic 6909 1
2 2D_15N-decoupled_TOCSY 1 $sample_1 isotropic 6909 1
3 2D_15N-decoupled_NOESY 1 $sample_1 isotropic 6909 1
4 3D_1H-1H-15N-TOCSY 1 $sample_1 isotropic 6909 1
5 3D_1H-1H-15N-NOESY 1 $sample_1 isotropic 6909 1
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 . . 6909 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_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.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 . 1 1 32 32 LYS H H 1 8.429 0.002 . 1 . . . . 32 LYS H . 6909 1
2 . 1 1 32 32 LYS HA H 1 4.447 0.002 . 1 . . . . 32 LYS HA . 6909 1
3 . 1 1 32 32 LYS HB2 H 1 1.852 0.001 . 2 . . . . 32 LYS HB2 . 6909 1
4 . 1 1 32 32 LYS HB3 H 1 1.747 0.001 . 2 . . . . 32 LYS HB3 . 6909 1
5 . 1 1 32 32 LYS HG2 H 1 1.469 0.001 . 1 . . . . 32 LYS HG2 . 6909 1
6 . 1 1 32 32 LYS HG3 H 1 1.469 0.001 . 1 . . . . 32 LYS HG3 . 6909 1
7 . 1 1 32 32 LYS HD2 H 1 1.672 0.001 . 2 . . . . 32 LYS HD2 . 6909 1
8 . 1 1 32 32 LYS HD3 H 1 1.727 0.001 . 2 . . . . 32 LYS HD3 . 6909 1
9 . 1 1 32 32 LYS N N 15 123.892 0.021 . 1 . . . . 32 LYS N . 6909 1
10 . 1 1 33 33 SER H H 1 8.639 0.003 . 1 . . . . 33 SER H . 6909 1
11 . 1 1 33 33 SER HA H 1 4.543 0.003 . 1 . . . . 33 SER HA . 6909 1
12 . 1 1 33 33 SER HB2 H 1 3.974 0.002 . 2 . . . . 33 SER HB2 . 6909 1
13 . 1 1 33 33 SER HB3 H 1 3.800 0.001 . 2 . . . . 33 SER HB3 . 6909 1
14 . 1 1 33 33 SER N N 15 116.015 0.010 . 1 . . . . 33 SER N . 6909 1
15 . 1 1 34 34 CYS H H 1 8.334 0.003 . 1 . . . . 34 CYS H . 6909 1
16 . 1 1 34 34 CYS HA H 1 4.431 0.001 . 1 . . . . 34 CYS HA . 6909 1
17 . 1 1 34 34 CYS HB2 H 1 3.218 0.001 . 2 . . . . 34 CYS HB2 . 6909 1
18 . 1 1 34 34 CYS HB3 H 1 3.049 0.003 . 2 . . . . 34 CYS HB3 . 6909 1
19 . 1 1 34 34 CYS N N 15 124.477 0.015 . 1 . . . . 34 CYS N . 6909 1
20 . 1 1 35 35 CYS H H 1 8.287 0.002 . 1 . . . . 35 CYS H . 6909 1
21 . 1 1 35 35 CYS HA H 1 5.019 0.001 . 1 . . . . 35 CYS HA . 6909 1
22 . 1 1 35 35 CYS HB2 H 1 3.532 0.003 . 2 . . . . 35 CYS HB2 . 6909 1
23 . 1 1 35 35 CYS HB3 H 1 3.367 0.001 . 2 . . . . 35 CYS HB3 . 6909 1
24 . 1 1 35 35 CYS N N 15 118.749 0.012 . 1 . . . . 35 CYS N . 6909 1
25 . 1 1 36 36 SER HA H 1 4.365 0.001 . 1 . . . . 36 SER HA . 6909 1
26 . 1 1 36 36 SER HB2 H 1 3.938 0.001 . 2 . . . . 36 SER HB2 . 6909 1
27 . 1 1 36 36 SER HB3 H 1 3.845 0.001 . 2 . . . . 36 SER HB3 . 6909 1
28 . 1 1 37 37 CYS H H 1 8.412 0.002 . 1 . . . . 37 CYS H . 6909 1
29 . 1 1 37 37 CYS HA H 1 4.446 0.005 . 1 . . . . 37 CYS HA . 6909 1
30 . 1 1 37 37 CYS HB2 H 1 3.167 0.002 . 2 . . . . 37 CYS HB2 . 6909 1
31 . 1 1 37 37 CYS HB3 H 1 2.799 0.003 . 2 . . . . 37 CYS HB3 . 6909 1
32 . 1 1 37 37 CYS N N 15 117.741 0.065 . 1 . . . . 37 CYS N . 6909 1
33 . 1 1 38 38 CYS H H 1 7.191 0.003 . 1 . . . . 38 CYS H . 6909 1
34 . 1 1 38 38 CYS HA H 1 5.103 0.002 . 1 . . . . 38 CYS HA . 6909 1
35 . 1 1 38 38 CYS HB2 H 1 3.046 0.001 . 1 . . . . 38 CYS HB2 . 6909 1
36 . 1 1 38 38 CYS HB3 H 1 3.046 0.001 . 1 . . . . 38 CYS HB3 . 6909 1
37 . 1 1 38 38 CYS N N 15 118.202 0.010 . 1 . . . . 38 CYS N . 6909 1
38 . 1 1 39 39 PRO HA H 1 4.654 0.001 . 1 . . . . 39 PRO HA . 6909 1
39 . 1 1 39 39 PRO HB2 H 1 2.343 0.002 . 2 . . . . 39 PRO HB2 . 6909 1
40 . 1 1 39 39 PRO HB3 H 1 2.175 0.001 . 2 . . . . 39 PRO HB3 . 6909 1
41 . 1 1 39 39 PRO HG2 H 1 2.076 0.001 . 2 . . . . 39 PRO HG2 . 6909 1
42 . 1 1 39 39 PRO HG3 H 1 1.843 0.003 . 2 . . . . 39 PRO HG3 . 6909 1
43 . 1 1 39 39 PRO HD2 H 1 3.798 0.004 . 2 . . . . 39 PRO HD2 . 6909 1
44 . 1 1 39 39 PRO HD3 H 1 3.730 0.003 . 2 . . . . 39 PRO HD3 . 6909 1
45 . 1 1 40 40 ALA H H 1 8.841 0.001 . 1 . . . . 40 ALA H . 6909 1
46 . 1 1 40 40 ALA HA H 1 4.053 0.001 . 1 . . . . 40 ALA HA . 6909 1
47 . 1 1 40 40 ALA HB1 H 1 1.336 0.004 . 1 . . . . 40 ALA HB1 . 6909 1
48 . 1 1 40 40 ALA HB2 H 1 1.336 0.004 . 1 . . . . 40 ALA HB2 . 6909 1
49 . 1 1 40 40 ALA HB3 H 1 1.336 0.004 . 1 . . . . 40 ALA HB3 . 6909 1
50 . 1 1 40 40 ALA N N 15 123.157 0.007 . 1 . . . . 40 ALA N . 6909 1
51 . 1 1 41 41 GLU H H 1 8.501 0.001 . 1 . . . . 41 GLU H . 6909 1
52 . 1 1 41 41 GLU HA H 1 4.188 0.002 . 1 . . . . 41 GLU HA . 6909 1
53 . 1 1 41 41 GLU HB2 H 1 2.027 0.001 . 2 . . . . 41 GLU HB2 . 6909 1
54 . 1 1 41 41 GLU HB3 H 1 2.088 0.003 . 2 . . . . 41 GLU HB3 . 6909 1
55 . 1 1 41 41 GLU HG2 H 1 2.185 0.002 . 1 . . . . 41 GLU HG2 . 6909 1
56 . 1 1 41 41 GLU HG3 H 1 2.185 0.002 . 1 . . . . 41 GLU HG3 . 6909 1
57 . 1 1 41 41 GLU N N 15 113.323 0.010 . 1 . . . . 41 GLU N . 6909 1
58 . 1 1 42 42 CYS H H 1 7.228 0.001 . 1 . . . . 42 CYS H . 6909 1
59 . 1 1 42 42 CYS HA H 1 4.062 0.001 . 1 . . . . 42 CYS HA . 6909 1
60 . 1 1 42 42 CYS HB2 H 1 3.131 0.005 . 1 . . . . 42 CYS HB2 . 6909 1
61 . 1 1 42 42 CYS HB3 H 1 3.131 0.005 . 1 . . . . 42 CYS HB3 . 6909 1
62 . 1 1 42 42 CYS N N 15 122.370 0.033 . 1 . . . . 42 CYS N . 6909 1
63 . 1 1 43 43 GLU H H 1 9.266 0.003 . 1 . . . . 43 GLU H . 6909 1
64 . 1 1 43 43 GLU HA H 1 4.067 0.003 . 1 . . . . 43 GLU HA . 6909 1
65 . 1 1 43 43 GLU HB2 H 1 2.096 0.004 . 1 . . . . 43 GLU HB2 . 6909 1
66 . 1 1 43 43 GLU HB3 H 1 2.096 0.004 . 1 . . . . 43 GLU HB3 . 6909 1
67 . 1 1 43 43 GLU HG2 H 1 2.413 0.003 . 2 . . . . 43 GLU HG2 . 6909 1
68 . 1 1 43 43 GLU HG3 H 1 2.312 0.002 . 2 . . . . 43 GLU HG3 . 6909 1
69 . 1 1 43 43 GLU N N 15 131.938 0.016 . 1 . . . . 43 GLU N . 6909 1
70 . 1 1 44 44 LYS H H 1 8.359 0.002 . 1 . . . . 44 LYS H . 6909 1
71 . 1 1 44 44 LYS HA H 1 4.190 0.003 . 1 . . . . 44 LYS HA . 6909 1
72 . 1 1 44 44 LYS HB2 H 1 2.011 0.004 . 1 . . . . 44 LYS HB2 . 6909 1
73 . 1 1 44 44 LYS HB3 H 1 2.011 0.004 . 1 . . . . 44 LYS HB3 . 6909 1
74 . 1 1 44 44 LYS HG2 H 1 1.624 0.005 . 2 . . . . 44 LYS HG2 . 6909 1
75 . 1 1 44 44 LYS HG3 H 1 1.548 0.003 . 2 . . . . 44 LYS HG3 . 6909 1
76 . 1 1 44 44 LYS HD2 H 1 1.648 0.005 . 2 . . . . 44 LYS HD2 . 6909 1
77 . 1 1 44 44 LYS HD3 H 1 1.798 0.003 . 2 . . . . 44 LYS HD3 . 6909 1
78 . 1 1 44 44 LYS HE2 H 1 3.027 0.003 . 1 . . . . 44 LYS HE2 . 6909 1
79 . 1 1 44 44 LYS HE3 H 1 3.027 0.003 . 1 . . . . 44 LYS HE3 . 6909 1
80 . 1 1 44 44 LYS N N 15 122.166 0.020 . 1 . . . . 44 LYS N . 6909 1
81 . 1 1 45 45 CYS H H 1 7.648 0.003 . 1 . . . . 45 CYS H . 6909 1
82 . 1 1 45 45 CYS HA H 1 4.925 0.001 . 1 . . . . 45 CYS HA . 6909 1
83 . 1 1 45 45 CYS HB2 H 1 2.680 0.003 . 2 . . . . 45 CYS HB2 . 6909 1
84 . 1 1 45 45 CYS HB3 H 1 3.680 0.001 . 2 . . . . 45 CYS HB3 . 6909 1
85 . 1 1 45 45 CYS N N 15 118.260 0.029 . 1 . . . . 45 CYS N . 6909 1
86 . 1 1 46 46 ALA H H 1 6.897 0.004 . 1 . . . . 46 ALA H . 6909 1
87 . 1 1 46 46 ALA HA H 1 4.022 0.001 . 1 . . . . 46 ALA HA . 6909 1
88 . 1 1 46 46 ALA HB1 H 1 1.439 0.003 . 1 . . . . 46 ALA HB1 . 6909 1
89 . 1 1 46 46 ALA HB2 H 1 1.439 0.003 . 1 . . . . 46 ALA HB2 . 6909 1
90 . 1 1 46 46 ALA HB3 H 1 1.439 0.003 . 1 . . . . 46 ALA HB3 . 6909 1
91 . 1 1 46 46 ALA N N 15 120.299 0.030 . 1 . . . . 46 ALA N . 6909 1
92 . 1 1 47 47 LYS H H 1 8.202 0.003 . 1 . . . . 47 LYS H . 6909 1
93 . 1 1 47 47 LYS HA H 1 4.296 0.001 . 1 . . . . 47 LYS HA . 6909 1
94 . 1 1 47 47 LYS HB2 H 1 1.745 0.001 . 2 . . . . 47 LYS HB2 . 6909 1
95 . 1 1 47 47 LYS HB3 H 1 1.845 0.001 . 2 . . . . 47 LYS HB3 . 6909 1
96 . 1 1 47 47 LYS HG2 H 1 1.364 0.009 . 2 . . . . 47 LYS HG2 . 6909 1
97 . 1 1 47 47 LYS HG3 H 1 1.451 0.001 . 2 . . . . 47 LYS HG3 . 6909 1
98 . 1 1 47 47 LYS HD2 H 1 1.668 0.007 . 1 . . . . 47 LYS HD2 . 6909 1
99 . 1 1 47 47 LYS HD3 H 1 1.668 0.007 . 1 . . . . 47 LYS HD3 . 6909 1
100 . 1 1 47 47 LYS HE2 H 1 2.988 0.001 . 1 . . . . 47 LYS HE2 . 6909 1
101 . 1 1 47 47 LYS HE3 H 1 2.988 0.001 . 1 . . . . 47 LYS HE3 . 6909 1
102 . 1 1 47 47 LYS N N 15 116.382 0.004 . 1 . . . . 47 LYS N . 6909 1
103 . 1 1 48 48 ASP H H 1 7.595 0.003 . 1 . . . . 48 ASP H . 6909 1
104 . 1 1 48 48 ASP HA H 1 4.614 0.003 . 1 . . . . 48 ASP HA . 6909 1
105 . 1 1 48 48 ASP HB2 H 1 2.533 0.008 . 2 . . . . 48 ASP HB2 . 6909 1
106 . 1 1 48 48 ASP HB3 H 1 2.465 0.011 . 2 . . . . 48 ASP HB3 . 6909 1
107 . 1 1 48 48 ASP N N 15 117.248 0.011 . 1 . . . . 48 ASP N . 6909 1
108 . 1 1 49 49 CYS H H 1 8.338 0.004 . 1 . . . . 49 CYS H . 6909 1
109 . 1 1 49 49 CYS HA H 1 4.488 0.004 . 1 . . . . 49 CYS HA . 6909 1
110 . 1 1 49 49 CYS HB2 H 1 2.903 0.007 . 1 . . . . 49 CYS HB2 . 6909 1
111 . 1 1 49 49 CYS HB3 H 1 2.903 0.007 . 1 . . . . 49 CYS HB3 . 6909 1
112 . 1 1 49 49 CYS N N 15 122.586 0.050 . 1 . . . . 49 CYS N . 6909 1
113 . 1 1 50 50 VAL H H 1 7.502 0.002 . 1 . . . . 50 VAL H . 6909 1
114 . 1 1 50 50 VAL HA H 1 4.492 0.001 . 1 . . . . 50 VAL HA . 6909 1
115 . 1 1 50 50 VAL HB H 1 2.467 0.002 . 1 . . . . 50 VAL HB . 6909 1
116 . 1 1 50 50 VAL HG11 H 1 1.034 0.003 . 1 . . . . 50 VAL HG11 . 6909 1
117 . 1 1 50 50 VAL HG12 H 1 1.034 0.003 . 1 . . . . 50 VAL HG12 . 6909 1
118 . 1 1 50 50 VAL HG13 H 1 1.034 0.003 . 1 . . . . 50 VAL HG13 . 6909 1
119 . 1 1 50 50 VAL HG21 H 1 0.875 0.002 . 1 . . . . 50 VAL HG21 . 6909 1
120 . 1 1 50 50 VAL HG22 H 1 0.875 0.002 . 1 . . . . 50 VAL HG22 . 6909 1
121 . 1 1 50 50 VAL HG23 H 1 0.875 0.002 . 1 . . . . 50 VAL HG23 . 6909 1
122 . 1 1 50 50 VAL N N 15 125.363 0.017 . 1 . . . . 50 VAL N . 6909 1
123 . 1 1 51 51 CYS H H 1 8.970 0.005 . 1 . . . . 51 CYS H . 6909 1
124 . 1 1 51 51 CYS HA H 1 4.501 0.002 . 1 . . . . 51 CYS HA . 6909 1
125 . 1 1 51 51 CYS HB2 H 1 3.155 0.002 . 2 . . . . 51 CYS HB2 . 6909 1
126 . 1 1 51 51 CYS HB3 H 1 2.537 0.009 . 2 . . . . 51 CYS HB3 . 6909 1
127 . 1 1 51 51 CYS N N 15 125.139 0.022 . 1 . . . . 51 CYS N . 6909 1
128 . 1 1 52 52 LYS H H 1 7.884 0.003 . 1 . . . . 52 LYS H . 6909 1
129 . 1 1 52 52 LYS HA H 1 4.277 0.001 . 1 . . . . 52 LYS HA . 6909 1
130 . 1 1 52 52 LYS HB2 H 1 1.878 0.001 . 2 . . . . 52 LYS HB2 . 6909 1
131 . 1 1 52 52 LYS HB3 H 1 1.776 0.001 . 2 . . . . 52 LYS HB3 . 6909 1
132 . 1 1 52 52 LYS HG2 H 1 1.495 0.001 . 2 . . . . 52 LYS HG2 . 6909 1
133 . 1 1 52 52 LYS HG3 H 1 1.397 0.001 . 2 . . . . 52 LYS HG3 . 6909 1
134 . 1 1 52 52 LYS HD2 H 1 1.670 0.001 . 1 . . . . 52 LYS HD2 . 6909 1
135 . 1 1 52 52 LYS HD3 H 1 1.670 0.001 . 1 . . . . 52 LYS HD3 . 6909 1
136 . 1 1 52 52 LYS HE2 H 1 3.040 0.001 . 1 . . . . 52 LYS HE2 . 6909 1
137 . 1 1 52 52 LYS HE3 H 1 3.040 0.001 . 1 . . . . 52 LYS HE3 . 6909 1
138 . 1 1 52 52 LYS N N 15 119.835 0.049 . 1 . . . . 52 LYS N . 6909 1
139 . 1 1 53 53 GLY H H 1 8.498 0.003 . 1 . . . . 53 GLY H . 6909 1
140 . 1 1 53 53 GLY HA2 H 1 3.939 0.001 . 2 . . . . 53 GLY HA2 . 6909 1
141 . 1 1 53 53 GLY HA3 H 1 4.023 0.001 . 2 . . . . 53 GLY HA3 . 6909 1
142 . 1 1 53 53 GLY N N 15 109.988 0.016 . 1 . . . . 53 GLY N . 6909 1
143 . 1 1 54 54 GLY H H 1 8.212 0.002 . 1 . . . . 54 GLY H . 6909 1
144 . 1 1 54 54 GLY HA2 H 1 4.063 0.005 . 2 . . . . 54 GLY HA2 . 6909 1
145 . 1 1 54 54 GLY HA3 H 1 3.936 0.002 . 2 . . . . 54 GLY HA3 . 6909 1
146 . 1 1 54 54 GLY N N 15 108.951 0.011 . 1 . . . . 54 GLY N . 6909 1
147 . 1 1 55 55 GLU H H 1 8.444 0.002 . 1 . . . . 55 GLU H . 6909 1
148 . 1 1 55 55 GLU HA H 1 4.228 0.001 . 1 . . . . 55 GLU HA . 6909 1
149 . 1 1 55 55 GLU HB2 H 1 2.074 0.003 . 2 . . . . 55 GLU HB2 . 6909 1
150 . 1 1 55 55 GLU HB3 H 1 1.948 0.001 . 2 . . . . 55 GLU HB3 . 6909 1
151 . 1 1 55 55 GLU HG2 H 1 2.269 0.001 . 1 . . . . 55 GLU HG2 . 6909 1
152 . 1 1 55 55 GLU HG3 H 1 2.269 0.001 . 1 . . . . 55 GLU HG3 . 6909 1
153 . 1 1 55 55 GLU N N 15 120.754 0.015 . 1 . . . . 55 GLU N . 6909 1
154 . 1 1 56 56 ALA H H 1 8.242 0.002 . 1 . . . . 56 ALA H . 6909 1
155 . 1 1 56 56 ALA HA H 1 4.295 0.001 . 1 . . . . 56 ALA HA . 6909 1
156 . 1 1 56 56 ALA HB1 H 1 1.393 0.001 . 1 . . . . 56 ALA HB1 . 6909 1
157 . 1 1 56 56 ALA HB2 H 1 1.393 0.001 . 1 . . . . 56 ALA HB2 . 6909 1
158 . 1 1 56 56 ALA HB3 H 1 1.393 0.001 . 1 . . . . 56 ALA HB3 . 6909 1
159 . 1 1 56 56 ALA N N 15 124.041 0.010 . 1 . . . . 56 ALA N . 6909 1
160 . 1 1 57 57 ALA H H 1 8.146 0.002 . 1 . . . . 57 ALA H . 6909 1
161 . 1 1 57 57 ALA HA H 1 4.279 0.008 . 1 . . . . 57 ALA HA . 6909 1
162 . 1 1 57 57 ALA HB1 H 1 1.384 0.001 . 1 . . . . 57 ALA HB1 . 6909 1
163 . 1 1 57 57 ALA HB2 H 1 1.384 0.001 . 1 . . . . 57 ALA HB2 . 6909 1
164 . 1 1 57 57 ALA HB3 H 1 1.384 0.001 . 1 . . . . 57 ALA HB3 . 6909 1
165 . 1 1 57 57 ALA N N 15 122.737 0.008 . 1 . . . . 57 ALA N . 6909 1
166 . 1 1 58 58 GLU H H 1 8.299 0.003 . 1 . . . . 58 GLU H . 6909 1
167 . 1 1 58 58 GLU HA H 1 4.218 0.006 . 1 . . . . 58 GLU HA . 6909 1
168 . 1 1 58 58 GLU HB2 H 1 2.266 0.004 . 2 . . . . 58 GLU HB2 . 6909 1
169 . 1 1 58 58 GLU HB3 H 1 1.946 0.002 . 2 . . . . 58 GLU HB3 . 6909 1
170 . 1 1 58 58 GLU HG2 H 1 2.078 0.001 . 1 . . . . 58 GLU HG2 . 6909 1
171 . 1 1 58 58 GLU HG3 H 1 2.078 0.001 . 1 . . . . 58 GLU HG3 . 6909 1
172 . 1 1 58 58 GLU N N 15 119.377 0.017 . 1 . . . . 58 GLU N . 6909 1
173 . 1 1 59 59 ALA H H 1 8.135 0.002 . 1 . . . . 59 ALA H . 6909 1
174 . 1 1 59 59 ALA HA H 1 4.307 0.006 . 1 . . . . 59 ALA HA . 6909 1
175 . 1 1 59 59 ALA HB1 H 1 1.395 0.001 . 1 . . . . 59 ALA HB1 . 6909 1
176 . 1 1 59 59 ALA HB2 H 1 1.395 0.001 . 1 . . . . 59 ALA HB2 . 6909 1
177 . 1 1 59 59 ALA HB3 H 1 1.395 0.001 . 1 . . . . 59 ALA HB3 . 6909 1
178 . 1 1 59 59 ALA N N 15 123.846 0.013 . 1 . . . . 59 ALA N . 6909 1
179 . 1 1 60 60 GLU H H 1 8.273 0.005 . 1 . . . . 60 GLU H . 6909 1
180 . 1 1 60 60 GLU HA H 1 4.254 0.002 . 1 . . . . 60 GLU HA . 6909 1
181 . 1 1 60 60 GLU HB2 H 1 2.228 0.002 . 2 . . . . 60 GLU HB2 . 6909 1
182 . 1 1 60 60 GLU HB3 H 1 1.945 0.001 . 2 . . . . 60 GLU HB3 . 6909 1
183 . 1 1 60 60 GLU HG2 H 1 2.077 0.001 . 1 . . . . 60 GLU HG2 . 6909 1
184 . 1 1 60 60 GLU HG3 H 1 2.077 0.001 . 1 . . . . 60 GLU HG3 . 6909 1
185 . 1 1 60 60 GLU N N 15 118.880 0.013 . 1 . . . . 60 GLU N . 6909 1
186 . 1 1 61 61 ALA H H 1 8.079 0.002 . 1 . . . . 61 ALA H . 6909 1
187 . 1 1 61 61 ALA HA H 1 4.269 0.001 . 1 . . . . 61 ALA HA . 6909 1
188 . 1 1 61 61 ALA HB1 H 1 1.403 0.001 . 1 . . . . 61 ALA HB1 . 6909 1
189 . 1 1 61 61 ALA HB2 H 1 1.403 0.001 . 1 . . . . 61 ALA HB2 . 6909 1
190 . 1 1 61 61 ALA HB3 H 1 1.403 0.001 . 1 . . . . 61 ALA HB3 . 6909 1
191 . 1 1 61 61 ALA N N 15 123.773 0.031 . 1 . . . . 61 ALA N . 6909 1
192 . 1 1 62 62 GLU H H 1 8.434 0.001 . 1 . . . . 62 GLU H . 6909 1
193 . 1 1 62 62 GLU HA H 1 4.171 0.003 . 1 . . . . 62 GLU HA . 6909 1
194 . 1 1 62 62 GLU HB2 H 1 2.058 0.002 . 2 . . . . 62 GLU HB2 . 6909 1
195 . 1 1 62 62 GLU HB3 H 1 1.950 0.001 . 2 . . . . 62 GLU HB3 . 6909 1
196 . 1 1 62 62 GLU HG2 H 1 2.248 0.005 . 2 . . . . 62 GLU HG2 . 6909 1
197 . 1 1 62 62 GLU HG3 H 1 2.223 0.001 . 2 . . . . 62 GLU HG3 . 6909 1
198 . 1 1 62 62 GLU N N 15 118.577 0.013 . 1 . . . . 62 GLU N . 6909 1
199 . 1 1 63 63 LYS H H 1 7.660 0.003 . 1 . . . . 63 LYS H . 6909 1
200 . 1 1 63 63 LYS HA H 1 4.772 0.001 . 1 . . . . 63 LYS HA . 6909 1
201 . 1 1 63 63 LYS HB2 H 1 1.853 0.002 . 1 . . . . 63 LYS HB2 . 6909 1
202 . 1 1 63 63 LYS HB3 H 1 1.853 0.002 . 1 . . . . 63 LYS HB3 . 6909 1
203 . 1 1 63 63 LYS HG2 H 1 1.415 0.004 . 1 . . . . 63 LYS HG2 . 6909 1
204 . 1 1 63 63 LYS HG3 H 1 1.415 0.004 . 1 . . . . 63 LYS HG3 . 6909 1
205 . 1 1 63 63 LYS HD2 H 1 1.718 0.002 . 1 . . . . 63 LYS HD2 . 6909 1
206 . 1 1 63 63 LYS HD3 H 1 1.718 0.002 . 1 . . . . 63 LYS HD3 . 6909 1
207 . 1 1 63 63 LYS HE2 H 1 2.990 0.001 . 1 . . . . 63 LYS HE2 . 6909 1
208 . 1 1 63 63 LYS HE3 H 1 2.990 0.001 . 1 . . . . 63 LYS HE3 . 6909 1
209 . 1 1 63 63 LYS N N 15 117.650 0.039 . 1 . . . . 63 LYS N . 6909 1
210 . 1 1 64 64 CYS H H 1 8.055 0.002 . 1 . . . . 64 CYS H . 6909 1
211 . 1 1 64 64 CYS HA H 1 5.018 0.001 . 1 . . . . 64 CYS HA . 6909 1
212 . 1 1 64 64 CYS HB2 H 1 3.591 0.007 . 2 . . . . 64 CYS HB2 . 6909 1
213 . 1 1 64 64 CYS HB3 H 1 3.506 0.005 . 2 . . . . 64 CYS HB3 . 6909 1
214 . 1 1 64 64 CYS N N 15 120.709 0.011 . 1 . . . . 64 CYS N . 6909 1
215 . 1 1 65 65 SER HA H 1 4.495 0.001 . 1 . . . . 65 SER HA . 6909 1
216 . 1 1 65 65 SER HB2 H 1 3.890 0.001 . 2 . . . . 65 SER HB2 . 6909 1
217 . 1 1 65 65 SER HB3 H 1 3.943 0.001 . 2 . . . . 65 SER HB3 . 6909 1
218 . 1 1 66 66 CYS H H 1 8.365 0.003 . 1 . . . . 66 CYS H . 6909 1
219 . 1 1 66 66 CYS HA H 1 4.593 0.002 . 1 . . . . 66 CYS HA . 6909 1
220 . 1 1 66 66 CYS HB2 H 1 3.177 0.006 . 1 . . . . 66 CYS HB2 . 6909 1
221 . 1 1 66 66 CYS HB3 H 1 3.177 0.006 . 1 . . . . 66 CYS HB3 . 6909 1
222 . 1 1 66 66 CYS N N 15 118.587 0.073 . 1 . . . . 66 CYS N . 6909 1
223 . 1 1 67 67 CYS H H 1 7.491 0.004 . 1 . . . . 67 CYS H . 6909 1
224 . 1 1 67 67 CYS HA H 1 4.740 0.009 . 1 . . . . 67 CYS HA . 6909 1
225 . 1 1 67 67 CYS HB2 H 1 2.710 0.009 . 2 . . . . 67 CYS HB2 . 6909 1
226 . 1 1 67 67 CYS HB3 H 1 3.131 0.006 . 2 . . . . 67 CYS HB3 . 6909 1
227 . 1 1 67 67 CYS N N 15 120.523 0.010 . 1 . . . . 67 CYS N . 6909 1
228 . 1 1 68 68 GLN H H 1 7.288 0.004 . 1 . . . . 68 GLN H . 6909 1
229 . 1 1 68 68 GLN HA H 1 4.128 0.001 . 1 . . . . 68 GLN HA . 6909 1
230 . 1 1 68 68 GLN HB2 H 1 2.350 0.001 . 2 . . . . 68 GLN HB2 . 6909 1
231 . 1 1 68 68 GLN HB3 H 1 1.941 0.001 . 2 . . . . 68 GLN HB3 . 6909 1
232 . 1 1 68 68 GLN HG2 H 1 2.147 0.001 . 1 . . . . 68 GLN HG2 . 6909 1
233 . 1 1 68 68 GLN HG3 H 1 2.147 0.001 . 1 . . . . 68 GLN HG3 . 6909 1
234 . 1 1 68 68 GLN HE21 H 1 6.867 0.003 . 2 . . . . 68 GLN HE21 . 6909 1
235 . 1 1 68 68 GLN HE22 H 1 7.567 0.001 . 2 . . . . 68 GLN HE22 . 6909 1
stop_
save_