Content for NMR-STAR saveframe, "assigned_chemical_shifts_1"
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 30949
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_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 '2D TOCSY' . . . 30949 1
2 '2D NOESY' . . . 30949 1
3 '2D 1H-15N HSQC' . . . 30949 1
4 '2D 1H-13C HSQC aliphatic' . . . 30949 1
5 '2D ECOSY' . . . 30949 1
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 . 1 . 1 1 1 GLY H H 1 8.603 0.002 . 1 . . . . A 1 GLY H1 . 30949 1
2 . 1 . 1 1 1 GLY HA2 H 1 4.127 0.001 . 2 . . . . A 1 GLY HA2 . 30949 1
3 . 1 . 1 1 1 GLY HA3 H 1 3.436 0.002 . 2 . . . . A 1 GLY HA3 . 30949 1
4 . 1 . 1 1 1 GLY CA C 13 45.229 0.014 . 1 . . . . A 1 GLY CA . 30949 1
5 . 1 . 1 1 1 GLY N N 15 102.407 0.000 . 1 . . . . A 1 GLY N . 30949 1
6 . 1 . 1 2 2 ILE H H 1 8.089 0.003 . 1 . . . . A 2 ILE H . 30949 1
7 . 1 . 1 2 2 ILE HA H 1 4.819 0.011 . 1 . . . . A 2 ILE HA . 30949 1
8 . 1 . 1 2 2 ILE HB H 1 2.193 0.007 . 1 . . . . A 2 ILE HB . 30949 1
9 . 1 . 1 2 2 ILE HG12 H 1 1.591 0.000 . 2 . . . . A 2 ILE HG12 . 30949 1
10 . 1 . 1 2 2 ILE HG13 H 1 1.319 0.008 . 2 . . . . A 2 ILE HG13 . 30949 1
11 . 1 . 1 2 2 ILE HG21 H 1 1.034 0.007 . 1 . . . . A 2 ILE HG21 . 30949 1
12 . 1 . 1 2 2 ILE HG22 H 1 1.034 0.007 . 1 . . . . A 2 ILE HG22 . 30949 1
13 . 1 . 1 2 2 ILE HG23 H 1 1.034 0.007 . 1 . . . . A 2 ILE HG23 . 30949 1
14 . 1 . 1 2 2 ILE HD11 H 1 0.907 0.006 . 1 . . . . A 2 ILE HD11 . 30949 1
15 . 1 . 1 2 2 ILE HD12 H 1 0.907 0.006 . 1 . . . . A 2 ILE HD12 . 30949 1
16 . 1 . 1 2 2 ILE HD13 H 1 0.907 0.006 . 1 . . . . A 2 ILE HD13 . 30949 1
17 . 1 . 1 2 2 ILE CA C 13 57.387 0.000 . 1 . . . . A 2 ILE CA . 30949 1
18 . 1 . 1 2 2 ILE CB C 13 39.298 0.000 . 1 . . . . A 2 ILE CB . 30949 1
19 . 1 . 1 2 2 ILE CG1 C 13 26.979 0.012 . 1 . . . . A 2 ILE CG1 . 30949 1
20 . 1 . 1 2 2 ILE CG2 C 13 16.560 0.000 . 1 . . . . A 2 ILE CG2 . 30949 1
21 . 1 . 1 2 2 ILE CD1 C 13 11.666 0.000 . 1 . . . . A 2 ILE CD1 . 30949 1
22 . 1 . 1 2 2 ILE N N 15 123.504 0.000 . 1 . . . . A 2 ILE N . 30949 1
23 . 1 . 1 3 3 PRO HA H 1 4.183 0.001 . 1 . . . . A 3 PRO HA . 30949 1
24 . 1 . 1 3 3 PRO HB2 H 1 2.052 0.003 . 2 . . . . A 3 PRO HB2 . 30949 1
25 . 1 . 1 3 3 PRO HB3 H 1 1.895 0.008 . 2 . . . . A 3 PRO HB3 . 30949 1
26 . 1 . 1 3 3 PRO HG2 H 1 2.169 0.009 . 2 . . . . A 3 PRO HG2 . 30949 1
27 . 1 . 1 3 3 PRO HG3 H 1 1.985 0.004 . 2 . . . . A 3 PRO HG3 . 30949 1
28 . 1 . 1 3 3 PRO HD2 H 1 4.077 0.008 . 2 . . . . A 3 PRO HD2 . 30949 1
29 . 1 . 1 3 3 PRO HD3 H 1 3.889 0.006 . 2 . . . . A 3 PRO HD3 . 30949 1
30 . 1 . 1 3 3 PRO CB C 13 32.019 0.000 . 1 . . . . A 3 PRO CB . 30949 1
31 . 1 . 1 3 3 PRO CG C 13 27.594 0.000 . 1 . . . . A 3 PRO CG . 30949 1
32 . 1 . 1 3 3 PRO CD C 13 51.627 0.007 . 1 . . . . A 3 PRO CD . 30949 1
33 . 1 . 1 4 4 CYS H H 1 8.542 0.002 . 1 . . . . A 4 CYS H . 30949 1
34 . 1 . 1 4 4 CYS HA H 1 4.587 0.004 . 1 . . . . A 4 CYS HA . 30949 1
35 . 1 . 1 4 4 CYS HB2 H 1 3.238 0.002 . 2 . . . . A 4 CYS HB2 . 30949 1
36 . 1 . 1 4 4 CYS HB3 H 1 3.096 0.007 . 2 . . . . A 4 CYS HB3 . 30949 1
37 . 1 . 1 4 4 CYS CA C 13 56.222 0.000 . 1 . . . . A 4 CYS CA . 30949 1
38 . 1 . 1 4 4 CYS CB C 13 46.083 0.024 . 1 . . . . A 4 CYS CB . 30949 1
39 . 1 . 1 4 4 CYS N N 15 118.485 0.000 . 1 . . . . A 4 CYS N . 30949 1
40 . 1 . 1 5 5 GLY H H 1 9.027 0.003 . 1 . . . . A 5 GLY H . 30949 1
41 . 1 . 1 5 5 GLY HA2 H 1 4.065 0.002 . 2 . . . . A 5 GLY HA2 . 30949 1
42 . 1 . 1 5 5 GLY HA3 H 1 3.684 0.004 . 2 . . . . A 5 GLY HA3 . 30949 1
43 . 1 . 1 5 5 GLY CA C 13 45.726 0.001 . 1 . . . . A 5 GLY CA . 30949 1
44 . 1 . 1 5 5 GLY N N 15 109.570 0.000 . 1 . . . . A 5 GLY N . 30949 1
45 . 1 . 1 6 6 GLU H H 1 7.915 0.003 . 1 . . . . A 6 GLU H . 30949 1
46 . 1 . 1 6 6 GLU HA H 1 4.468 0.003 . 1 . . . . A 6 GLU HA . 30949 1
47 . 1 . 1 6 6 GLU HB2 H 1 1.800 0.001 . 2 . . . . A 6 GLU HB2 . 30949 1
48 . 1 . 1 6 6 GLU HB3 H 1 1.640 0.000 . 2 . . . . A 6 GLU HB3 . 30949 1
49 . 1 . 1 6 6 GLU HG2 H 1 2.794 0.008 . 2 . . . . A 6 GLU HG2 . 30949 1
50 . 1 . 1 6 6 GLU HG3 H 1 2.411 0.000 . 2 . . . . A 6 GLU HG3 . 30949 1
51 . 1 . 1 6 6 GLU CA C 13 55.416 0.000 . 1 . . . . A 6 GLU CA . 30949 1
52 . 1 . 1 6 6 GLU CB C 13 34.158 0.000 . 1 . . . . A 6 GLU CB . 30949 1
53 . 1 . 1 6 6 GLU CG C 13 35.258 0.019 . 1 . . . . A 6 GLU CG . 30949 1
54 . 1 . 1 6 6 GLU N N 15 121.182 0.000 . 1 . . . . A 6 GLU N . 30949 1
55 . 1 . 1 7 7 SER H H 1 8.780 0.001 . 1 . . . . A 7 SER H . 30949 1
56 . 1 . 1 7 7 SER HA H 1 4.666 0.010 . 1 . . . . A 7 SER HA . 30949 1
57 . 1 . 1 7 7 SER HB2 H 1 4.011 0.006 . 2 . . . . A 7 SER HB2 . 30949 1
58 . 1 . 1 7 7 SER HB3 H 1 3.949 0.002 . 2 . . . . A 7 SER HB3 . 30949 1
59 . 1 . 1 7 7 SER CA C 13 57.529 0.000 . 1 . . . . A 7 SER CA . 30949 1
60 . 1 . 1 7 7 SER CB C 13 64.650 0.002 . 1 . . . . A 7 SER CB . 30949 1
61 . 1 . 1 7 7 SER N N 15 121.783 0.000 . 1 . . . . A 7 SER N . 30949 1
62 . 1 . 1 8 8 CYS H H 1 8.111 0.003 . 1 . . . . A 8 CYS H . 30949 1
63 . 1 . 1 8 8 CYS HA H 1 5.191 0.012 . 1 . . . . A 8 CYS HA . 30949 1
64 . 1 . 1 8 8 CYS HB2 H 1 3.330 0.009 . 2 . . . . A 8 CYS HB2 . 30949 1
65 . 1 . 1 8 8 CYS HB3 H 1 3.091 0.005 . 2 . . . . A 8 CYS HB3 . 30949 1
66 . 1 . 1 8 8 CYS CA C 13 55.228 0.000 . 1 . . . . A 8 CYS CA . 30949 1
67 . 1 . 1 8 8 CYS CB C 13 46.016 0.000 . 1 . . . . A 8 CYS CB . 30949 1
68 . 1 . 1 8 8 CYS N N 15 119.703 0.000 . 1 . . . . A 8 CYS N . 30949 1
69 . 1 . 1 9 9 VAL H H 1 8.001 0.005 . 1 . . . . A 9 VAL H . 30949 1
70 . 1 . 1 9 9 VAL HA H 1 3.425 0.007 . 1 . . . . A 9 VAL HA . 30949 1
71 . 1 . 1 9 9 VAL HB H 1 1.717 0.008 . 1 . . . . A 9 VAL HB . 30949 1
72 . 1 . 1 9 9 VAL HG11 H 1 0.993 0.006 . 2 . . . . A 9 VAL HG11 . 30949 1
73 . 1 . 1 9 9 VAL HG12 H 1 0.993 0.006 . 2 . . . . A 9 VAL HG12 . 30949 1
74 . 1 . 1 9 9 VAL HG13 H 1 0.993 0.006 . 2 . . . . A 9 VAL HG13 . 30949 1
75 . 1 . 1 9 9 VAL HG21 H 1 0.322 0.007 . 2 . . . . A 9 VAL HG21 . 30949 1
76 . 1 . 1 9 9 VAL HG22 H 1 0.322 0.007 . 2 . . . . A 9 VAL HG22 . 30949 1
77 . 1 . 1 9 9 VAL HG23 H 1 0.322 0.007 . 2 . . . . A 9 VAL HG23 . 30949 1
78 . 1 . 1 9 9 VAL CA C 13 65.868 0.000 . 1 . . . . A 9 VAL CA . 30949 1
79 . 1 . 1 9 9 VAL CB C 13 31.846 0.000 . 1 . . . . A 9 VAL CB . 30949 1
80 . 1 . 1 9 9 VAL CG1 C 13 22.506 0.000 . 2 . . . . A 9 VAL CG1 . 30949 1
81 . 1 . 1 9 9 VAL CG2 C 13 20.669 0.000 . 2 . . . . A 9 VAL CG2 . 30949 1
82 . 1 . 1 9 9 VAL N N 15 121.653 0.000 . 1 . . . . A 9 VAL N . 30949 1
83 . 1 . 1 10 10 TYR H H 1 8.247 0.003 . 1 . . . . A 10 TYR H . 30949 1
84 . 1 . 1 10 10 TYR HA H 1 4.659 0.003 . 1 . . . . A 10 TYR HA . 30949 1
85 . 1 . 1 10 10 TYR HB2 H 1 3.295 0.008 . 2 . . . . A 10 TYR HB2 . 30949 1
86 . 1 . 1 10 10 TYR HB3 H 1 2.838 0.006 . 2 . . . . A 10 TYR HB3 . 30949 1
87 . 1 . 1 10 10 TYR HD1 H 1 7.159 0.001 . 3 . . . . A 10 TYR HD1 . 30949 1
88 . 1 . 1 10 10 TYR HD2 H 1 7.159 0.001 . 3 . . . . A 10 TYR HD2 . 30949 1
89 . 1 . 1 10 10 TYR HE1 H 1 6.844 0.000 . 3 . . . . A 10 TYR HE1 . 30949 1
90 . 1 . 1 10 10 TYR HE2 H 1 6.844 0.000 . 3 . . . . A 10 TYR HE2 . 30949 1
91 . 1 . 1 10 10 TYR CA C 13 58.319 0.000 . 1 . . . . A 10 TYR CA . 30949 1
92 . 1 . 1 10 10 TYR CB C 13 39.891 0.012 . 1 . . . . A 10 TYR CB . 30949 1
93 . 1 . 1 10 10 TYR N N 15 115.461 0.000 . 1 . . . . A 10 TYR N . 30949 1
94 . 1 . 1 11 11 ILE H H 1 7.475 0.004 . 1 . . . . A 11 ILE H . 30949 1
95 . 1 . 1 11 11 ILE HA H 1 4.681 0.008 . 1 . . . . A 11 ILE HA . 30949 1
96 . 1 . 1 11 11 ILE HB H 1 1.942 0.007 . 1 . . . . A 11 ILE HB . 30949 1
97 . 1 . 1 11 11 ILE HG12 H 1 1.505 0.009 . 2 . . . . A 11 ILE HG12 . 30949 1
98 . 1 . 1 11 11 ILE HG13 H 1 1.073 0.011 . 2 . . . . A 11 ILE HG13 . 30949 1
99 . 1 . 1 11 11 ILE HG21 H 1 1.016 0.007 . 1 . . . . A 11 ILE HG21 . 30949 1
100 . 1 . 1 11 11 ILE HG22 H 1 1.016 0.007 . 1 . . . . A 11 ILE HG22 . 30949 1
101 . 1 . 1 11 11 ILE HG23 H 1 1.016 0.007 . 1 . . . . A 11 ILE HG23 . 30949 1
102 . 1 . 1 11 11 ILE HD11 H 1 0.930 0.003 . 1 . . . . A 11 ILE HD11 . 30949 1
103 . 1 . 1 11 11 ILE HD12 H 1 0.930 0.003 . 1 . . . . A 11 ILE HD12 . 30949 1
104 . 1 . 1 11 11 ILE HD13 H 1 0.930 0.003 . 1 . . . . A 11 ILE HD13 . 30949 1
105 . 1 . 1 11 11 ILE CA C 13 58.295 0.000 . 1 . . . . A 11 ILE CA . 30949 1
106 . 1 . 1 11 11 ILE CB C 13 40.641 0.000 . 1 . . . . A 11 ILE CB . 30949 1
107 . 1 . 1 11 11 ILE CG1 C 13 25.897 0.033 . 1 . . . . A 11 ILE CG1 . 30949 1
108 . 1 . 1 11 11 ILE CG2 C 13 18.100 0.000 . 1 . . . . A 11 ILE CG2 . 30949 1
109 . 1 . 1 11 11 ILE CD1 C 13 13.515 0.000 . 1 . . . . A 11 ILE CD1 . 30949 1
110 . 1 . 1 11 11 ILE N N 15 117.459 0.000 . 1 . . . . A 11 ILE N . 30949 1
111 . 1 . 1 12 12 PRO HA H 1 4.453 0.011 . 1 . . . . A 12 PRO HA . 30949 1
112 . 1 . 1 12 12 PRO HB2 H 1 2.320 0.007 . 2 . . . . A 12 PRO HB2 . 30949 1
113 . 1 . 1 12 12 PRO HB3 H 1 2.320 0.007 . 2 . . . . A 12 PRO HB3 . 30949 1
114 . 1 . 1 12 12 PRO HG2 H 1 1.905 0.009 . 2 . . . . A 12 PRO HG2 . 30949 1
115 . 1 . 1 12 12 PRO HG3 H 1 1.905 0.009 . 2 . . . . A 12 PRO HG3 . 30949 1
116 . 1 . 1 12 12 PRO HD2 H 1 3.711 0.009 . 2 . . . . A 12 PRO HD2 . 30949 1
117 . 1 . 1 12 12 PRO HD3 H 1 3.556 0.009 . 2 . . . . A 12 PRO HD3 . 30949 1
118 . 1 . 1 12 12 PRO CA C 13 62.263 0.000 . 1 . . . . A 12 PRO CA . 30949 1
119 . 1 . 1 12 12 PRO CB C 13 31.923 0.000 . 1 . . . . A 12 PRO CB . 30949 1
120 . 1 . 1 12 12 PRO CG C 13 27.409 0.000 . 1 . . . . A 12 PRO CG . 30949 1
121 . 1 . 1 12 12 PRO CD C 13 50.725 0.004 . 1 . . . . A 12 PRO CD . 30949 1
122 . 1 . 1 13 13 CYS H H 1 8.105 0.002 . 1 . . . . A 13 CYS H . 30949 1
123 . 1 . 1 13 13 CYS HA H 1 3.905 0.001 . 1 . . . . A 13 CYS HA . 30949 1
124 . 1 . 1 13 13 CYS HB2 H 1 2.973 0.011 . 2 . . . . A 13 CYS HB2 . 30949 1
125 . 1 . 1 13 13 CYS HB3 H 1 2.720 0.009 . 2 . . . . A 13 CYS HB3 . 30949 1
126 . 1 . 1 13 13 CYS CA C 13 57.678 0.000 . 1 . . . . A 13 CYS CA . 30949 1
127 . 1 . 1 13 13 CYS CB C 13 40.069 0.020 . 1 . . . . A 13 CYS CB . 30949 1
128 . 1 . 1 13 13 CYS N N 15 118.425 0.000 . 1 . . . . A 13 CYS N . 30949 1
129 . 1 . 1 14 14 THR H H 1 8.871 0.003 . 1 . . . . A 14 THR H . 30949 1
130 . 1 . 1 14 14 THR HA H 1 4.156 0.004 . 1 . . . . A 14 THR HA . 30949 1
131 . 1 . 1 14 14 THR HB H 1 4.113 0.006 . 1 . . . . A 14 THR HB . 30949 1
132 . 1 . 1 14 14 THR HG21 H 1 1.247 0.006 . 1 . . . . A 14 THR HG21 . 30949 1
133 . 1 . 1 14 14 THR HG22 H 1 1.247 0.006 . 1 . . . . A 14 THR HG22 . 30949 1
134 . 1 . 1 14 14 THR HG23 H 1 1.247 0.006 . 1 . . . . A 14 THR HG23 . 30949 1
135 . 1 . 1 14 14 THR CA C 13 65.035 0.000 . 1 . . . . A 14 THR CA . 30949 1
136 . 1 . 1 14 14 THR CB C 13 70.163 0.000 . 1 . . . . A 14 THR CB . 30949 1
137 . 1 . 1 14 14 THR CG2 C 13 21.015 0.000 . 1 . . . . A 14 THR CG2 . 30949 1
138 . 1 . 1 14 14 THR N N 15 119.532 0.000 . 1 . . . . A 14 THR N . 30949 1
139 . 1 . 1 15 15 VAL H H 1 9.834 0.004 . 1 . . . . A 15 VAL H . 30949 1
140 . 1 . 1 15 15 VAL HA H 1 3.920 0.013 . 1 . . . . A 15 VAL HA . 30949 1
141 . 1 . 1 15 15 VAL HB H 1 2.047 0.012 . 1 . . . . A 15 VAL HB . 30949 1
142 . 1 . 1 15 15 VAL HG11 H 1 1.042 0.005 . 2 . . . . A 15 VAL HG11 . 30949 1
143 . 1 . 1 15 15 VAL HG12 H 1 1.042 0.005 . 2 . . . . A 15 VAL HG12 . 30949 1
144 . 1 . 1 15 15 VAL HG13 H 1 1.042 0.005 . 2 . . . . A 15 VAL HG13 . 30949 1
145 . 1 . 1 15 15 VAL HG21 H 1 0.932 0.006 . 2 . . . . A 15 VAL HG21 . 30949 1
146 . 1 . 1 15 15 VAL HG22 H 1 0.932 0.006 . 2 . . . . A 15 VAL HG22 . 30949 1
147 . 1 . 1 15 15 VAL HG23 H 1 0.932 0.006 . 2 . . . . A 15 VAL HG23 . 30949 1
148 . 1 . 1 15 15 VAL CA C 13 65.706 0.000 . 1 . . . . A 15 VAL CA . 30949 1
149 . 1 . 1 15 15 VAL CB C 13 32.145 0.000 . 1 . . . . A 15 VAL CB . 30949 1
150 . 1 . 1 15 15 VAL CG1 C 13 22.045 0.000 . 2 . . . . A 15 VAL CG1 . 30949 1
151 . 1 . 1 15 15 VAL CG2 C 13 21.183 0.000 . 2 . . . . A 15 VAL CG2 . 30949 1
152 . 1 . 1 16 16 THR H H 1 9.516 0.002 . 1 . . . . A 16 THR H . 30949 1
153 . 1 . 1 16 16 THR HA H 1 4.236 0.012 . 1 . . . . A 16 THR HA . 30949 1
154 . 1 . 1 16 16 THR HB H 1 4.854 0.012 . 1 . . . . A 16 THR HB . 30949 1
155 . 1 . 1 16 16 THR HG21 H 1 1.083 0.011 . 1 . . . . A 16 THR HG21 . 30949 1
156 . 1 . 1 16 16 THR HG22 H 1 1.083 0.011 . 1 . . . . A 16 THR HG22 . 30949 1
157 . 1 . 1 16 16 THR HG23 H 1 1.083 0.011 . 1 . . . . A 16 THR HG23 . 30949 1
158 . 1 . 1 16 16 THR CA C 13 63.548 0.000 . 1 . . . . A 16 THR CA . 30949 1
159 . 1 . 1 16 16 THR CB C 13 69.148 0.000 . 1 . . . . A 16 THR CB . 30949 1
160 . 1 . 1 16 16 THR CG2 C 13 22.090 0.000 . 1 . . . . A 16 THR CG2 . 30949 1
161 . 1 . 1 17 17 ALA H H 1 7.732 0.005 . 1 . . . . A 17 ALA H . 30949 1
162 . 1 . 1 17 17 ALA HA H 1 4.447 0.001 . 1 . . . . A 17 ALA HA . 30949 1
163 . 1 . 1 17 17 ALA HB1 H 1 1.458 0.006 . 1 . . . . A 17 ALA HB1 . 30949 1
164 . 1 . 1 17 17 ALA HB2 H 1 1.458 0.006 . 1 . . . . A 17 ALA HB2 . 30949 1
165 . 1 . 1 17 17 ALA HB3 H 1 1.458 0.006 . 1 . . . . A 17 ALA HB3 . 30949 1
166 . 1 . 1 17 17 ALA CA C 13 55.085 0.000 . 1 . . . . A 17 ALA CA . 30949 1
167 . 1 . 1 17 17 ALA CB C 13 18.035 0.000 . 1 . . . . A 17 ALA CB . 30949 1
168 . 1 . 1 17 17 ALA N N 15 127.971 0.000 . 1 . . . . A 17 ALA N . 30949 1
169 . 1 . 1 18 18 LEU H H 1 7.620 0.004 . 1 . . . . A 18 LEU H . 30949 1
170 . 1 . 1 18 18 LEU HA H 1 4.203 0.012 . 1 . . . . A 18 LEU HA . 30949 1
171 . 1 . 1 18 18 LEU HB2 H 1 1.777 0.008 . 2 . . . . A 18 LEU HB2 . 30949 1
172 . 1 . 1 18 18 LEU HB3 H 1 1.672 0.004 . 2 . . . . A 18 LEU HB3 . 30949 1
173 . 1 . 1 18 18 LEU HG H 1 1.751 0.000 . 1 . . . . A 18 LEU HG . 30949 1
174 . 1 . 1 18 18 LEU HD11 H 1 0.989 0.005 . 2 . . . . A 18 LEU HD11 . 30949 1
175 . 1 . 1 18 18 LEU HD12 H 1 0.989 0.005 . 2 . . . . A 18 LEU HD12 . 30949 1
176 . 1 . 1 18 18 LEU HD13 H 1 0.989 0.005 . 2 . . . . A 18 LEU HD13 . 30949 1
177 . 1 . 1 18 18 LEU HD21 H 1 0.937 0.013 . 2 . . . . A 18 LEU HD21 . 30949 1
178 . 1 . 1 18 18 LEU HD22 H 1 0.937 0.013 . 2 . . . . A 18 LEU HD22 . 30949 1
179 . 1 . 1 18 18 LEU HD23 H 1 0.937 0.013 . 2 . . . . A 18 LEU HD23 . 30949 1
180 . 1 . 1 18 18 LEU CA C 13 56.748 0.000 . 1 . . . . A 18 LEU CA . 30949 1
181 . 1 . 1 18 18 LEU CB C 13 41.364 0.003 . 1 . . . . A 18 LEU CB . 30949 1
182 . 1 . 1 18 18 LEU CG C 13 27.510 0.000 . 1 . . . . A 18 LEU CG . 30949 1
183 . 1 . 1 18 18 LEU CD1 C 13 24.825 0.000 . 2 . . . . A 18 LEU CD1 . 30949 1
184 . 1 . 1 18 18 LEU CD2 C 13 25.349 0.000 . 2 . . . . A 18 LEU CD2 . 30949 1
185 . 1 . 1 18 18 LEU N N 15 117.448 0.000 . 1 . . . . A 18 LEU N . 30949 1
186 . 1 . 1 19 19 LEU H H 1 7.181 0.005 . 1 . . . . A 19 LEU H . 30949 1
187 . 1 . 1 19 19 LEU HA H 1 4.423 0.005 . 1 . . . . A 19 LEU HA . 30949 1
188 . 1 . 1 19 19 LEU HB2 H 1 1.920 0.004 . 2 . . . . A 19 LEU HB2 . 30949 1
189 . 1 . 1 19 19 LEU HB3 H 1 1.778 0.002 . 2 . . . . A 19 LEU HB3 . 30949 1
190 . 1 . 1 19 19 LEU HG H 1 1.629 0.005 . 1 . . . . A 19 LEU HG . 30949 1
191 . 1 . 1 19 19 LEU HD11 H 1 0.938 0.002 . 2 . . . . A 19 LEU HD11 . 30949 1
192 . 1 . 1 19 19 LEU HD12 H 1 0.938 0.002 . 2 . . . . A 19 LEU HD12 . 30949 1
193 . 1 . 1 19 19 LEU HD13 H 1 0.938 0.002 . 2 . . . . A 19 LEU HD13 . 30949 1
194 . 1 . 1 19 19 LEU HD21 H 1 0.860 0.007 . 2 . . . . A 19 LEU HD21 . 30949 1
195 . 1 . 1 19 19 LEU HD22 H 1 0.860 0.007 . 2 . . . . A 19 LEU HD22 . 30949 1
196 . 1 . 1 19 19 LEU HD23 H 1 0.860 0.007 . 2 . . . . A 19 LEU HD23 . 30949 1
197 . 1 . 1 19 19 LEU CA C 13 54.287 0.000 . 1 . . . . A 19 LEU CA . 30949 1
198 . 1 . 1 19 19 LEU CB C 13 42.217 0.013 . 1 . . . . A 19 LEU CB . 30949 1
199 . 1 . 1 19 19 LEU CG C 13 27.140 0.000 . 1 . . . . A 19 LEU CG . 30949 1
200 . 1 . 1 19 19 LEU CD1 C 13 23.431 0.000 . 2 . . . . A 19 LEU CD1 . 30949 1
201 . 1 . 1 19 19 LEU CD2 C 13 22.637 0.000 . 2 . . . . A 19 LEU CD2 . 30949 1
202 . 1 . 1 19 19 LEU N N 15 117.165 0.000 . 1 . . . . A 19 LEU N . 30949 1
203 . 1 . 1 20 20 GLY H H 1 7.865 0.004 . 1 . . . . A 20 GLY H . 30949 1
204 . 1 . 1 20 20 GLY HA2 H 1 4.257 0.002 . 2 . . . . A 20 GLY HA2 . 30949 1
205 . 1 . 1 20 20 GLY HA3 H 1 3.822 0.004 . 2 . . . . A 20 GLY HA3 . 30949 1
206 . 1 . 1 20 20 GLY CA C 13 45.020 0.007 . 1 . . . . A 20 GLY CA . 30949 1
207 . 1 . 1 20 20 GLY N N 15 105.018 0.000 . 1 . . . . A 20 GLY N . 30949 1
208 . 1 . 1 21 21 CYS H H 1 7.532 0.002 . 1 . . . . A 21 CYS H . 30949 1
209 . 1 . 1 21 21 CYS HA H 1 4.982 0.005 . 1 . . . . A 21 CYS HA . 30949 1
210 . 1 . 1 21 21 CYS HB2 H 1 3.641 0.008 . 2 . . . . A 21 CYS HB2 . 30949 1
211 . 1 . 1 21 21 CYS HB3 H 1 2.401 0.011 . 2 . . . . A 21 CYS HB3 . 30949 1
212 . 1 . 1 21 21 CYS CA C 13 57.895 0.000 . 1 . . . . A 21 CYS CA . 30949 1
213 . 1 . 1 21 21 CYS CB C 13 48.976 0.004 . 1 . . . . A 21 CYS CB . 30949 1
214 . 1 . 1 21 21 CYS N N 15 117.554 0.000 . 1 . . . . A 21 CYS N . 30949 1
215 . 1 . 1 22 22 SER H H 1 9.257 0.002 . 1 . . . . A 22 SER H . 30949 1
216 . 1 . 1 22 22 SER HA H 1 4.678 0.012 . 1 . . . . A 22 SER HA . 30949 1
217 . 1 . 1 22 22 SER HB2 H 1 3.860 0.003 . 2 . . . . A 22 SER HB2 . 30949 1
218 . 1 . 1 22 22 SER HB3 H 1 3.860 0.003 . 2 . . . . A 22 SER HB3 . 30949 1
219 . 1 . 1 22 22 SER CA C 13 58.278 0.000 . 1 . . . . A 22 SER CA . 30949 1
220 . 1 . 1 22 22 SER CB C 13 65.728 0.000 . 1 . . . . A 22 SER CB . 30949 1
221 . 1 . 1 22 22 SER N N 15 114.737 0.000 . 1 . . . . A 22 SER N . 30949 1
222 . 1 . 1 23 23 CYS H H 1 8.656 0.001 . 1 . . . . A 23 CYS H . 30949 1
223 . 1 . 1 23 23 CYS HA H 1 4.598 0.009 . 1 . . . . A 23 CYS HA . 30949 1
224 . 1 . 1 23 23 CYS HB2 H 1 3.085 0.001 . 2 . . . . A 23 CYS HB2 . 30949 1
225 . 1 . 1 23 23 CYS HB3 H 1 3.085 0.001 . 2 . . . . A 23 CYS HB3 . 30949 1
226 . 1 . 1 23 23 CYS CA C 13 56.222 0.000 . 1 . . . . A 23 CYS CA . 30949 1
227 . 1 . 1 23 23 CYS CB C 13 46.026 0.000 . 1 . . . . A 23 CYS CB . 30949 1
228 . 1 . 1 23 23 CYS N N 15 123.810 0.000 . 1 . . . . A 23 CYS N . 30949 1
229 . 1 . 1 24 24 LYS H H 1 9.616 0.002 . 1 . . . . A 24 LYS H . 30949 1
230 . 1 . 1 24 24 LYS HA H 1 4.535 0.010 . 1 . . . . A 24 LYS HA . 30949 1
231 . 1 . 1 24 24 LYS HB2 H 1 1.884 0.001 . 2 . . . . A 24 LYS HB2 . 30949 1
232 . 1 . 1 24 24 LYS HB3 H 1 1.818 0.002 . 2 . . . . A 24 LYS HB3 . 30949 1
233 . 1 . 1 24 24 LYS HG2 H 1 1.396 0.007 . 2 . . . . A 24 LYS HG2 . 30949 1
234 . 1 . 1 24 24 LYS HG3 H 1 1.231 0.004 . 2 . . . . A 24 LYS HG3 . 30949 1
235 . 1 . 1 24 24 LYS HD2 H 1 1.524 0.006 . 2 . . . . A 24 LYS HD2 . 30949 1
236 . 1 . 1 24 24 LYS HD3 H 1 1.396 0.007 . 2 . . . . A 24 LYS HD3 . 30949 1
237 . 1 . 1 24 24 LYS HE2 H 1 2.793 0.003 . 2 . . . . A 24 LYS HE2 . 30949 1
238 . 1 . 1 24 24 LYS HE3 H 1 2.794 0.001 . 2 . . . . A 24 LYS HE3 . 30949 1
239 . 1 . 1 24 24 LYS CA C 13 56.290 0.000 . 1 . . . . A 24 LYS CA . 30949 1
240 . 1 . 1 24 24 LYS CB C 13 34.552 0.008 . 1 . . . . A 24 LYS CB . 30949 1
241 . 1 . 1 24 24 LYS CG C 13 24.797 0.028 . 1 . . . . A 24 LYS CG . 30949 1
242 . 1 . 1 24 24 LYS CD C 13 28.983 0.005 . 1 . . . . A 24 LYS CD . 30949 1
243 . 1 . 1 24 24 LYS CE C 13 41.788 0.000 . 1 . . . . A 24 LYS CE . 30949 1
244 . 1 . 1 24 24 LYS N N 15 133.625 0.000 . 1 . . . . A 24 LYS N . 30949 1
245 . 1 . 1 25 25 ASP H H 1 9.277 0.002 . 1 . . . . A 25 ASP H . 30949 1
246 . 1 . 1 25 25 ASP HA H 1 4.278 0.001 . 1 . . . . A 25 ASP HA . 30949 1
247 . 1 . 1 25 25 ASP HB2 H 1 2.973 0.007 . 2 . . . . A 25 ASP HB2 . 30949 1
248 . 1 . 1 25 25 ASP HB3 H 1 2.703 0.007 . 2 . . . . A 25 ASP HB3 . 30949 1
249 . 1 . 1 25 25 ASP CA C 13 54.999 0.000 . 1 . . . . A 25 ASP CA . 30949 1
250 . 1 . 1 25 25 ASP CB C 13 38.036 0.022 . 1 . . . . A 25 ASP CB . 30949 1
251 . 1 . 1 25 25 ASP N N 15 126.397 0.000 . 1 . . . . A 25 ASP N . 30949 1
252 . 1 . 1 26 26 LYS H H 1 8.229 0.002 . 1 . . . . A 26 LYS H . 30949 1
253 . 1 . 1 26 26 LYS HA H 1 3.503 0.005 . 1 . . . . A 26 LYS HA . 30949 1
254 . 1 . 1 26 26 LYS HB2 H 1 2.286 0.006 . 2 . . . . A 26 LYS HB2 . 30949 1
255 . 1 . 1 26 26 LYS HB3 H 1 1.927 0.000 . 2 . . . . A 26 LYS HB3 . 30949 1
256 . 1 . 1 26 26 LYS HG2 H 1 1.333 0.006 . 2 . . . . A 26 LYS HG2 . 30949 1
257 . 1 . 1 26 26 LYS HG3 H 1 1.323 0.009 . 2 . . . . A 26 LYS HG3 . 30949 1
258 . 1 . 1 26 26 LYS HD2 H 1 1.693 0.003 . 2 . . . . A 26 LYS HD2 . 30949 1
259 . 1 . 1 26 26 LYS HD3 H 1 1.604 0.005 . 2 . . . . A 26 LYS HD3 . 30949 1
260 . 1 . 1 26 26 LYS HE2 H 1 2.962 0.002 . 2 . . . . A 26 LYS HE2 . 30949 1
261 . 1 . 1 26 26 LYS HE3 H 1 2.962 0.002 . 2 . . . . A 26 LYS HE3 . 30949 1
262 . 1 . 1 26 26 LYS CA C 13 59.886 0.000 . 1 . . . . A 26 LYS CA . 30949 1
263 . 1 . 1 26 26 LYS CB C 13 29.687 0.009 . 1 . . . . A 26 LYS CB . 30949 1
264 . 1 . 1 26 26 LYS CG C 13 25.708 0.014 . 1 . . . . A 26 LYS CG . 30949 1
265 . 1 . 1 26 26 LYS CD C 13 29.402 0.008 . 1 . . . . A 26 LYS CD . 30949 1
266 . 1 . 1 26 26 LYS CE C 13 42.097 0.000 . 1 . . . . A 26 LYS CE . 30949 1
267 . 1 . 1 26 26 LYS N N 15 106.490 0.000 . 1 . . . . A 26 LYS N . 30949 1
268 . 1 . 1 27 27 VAL H H 1 8.037 0.004 . 1 . . . . A 27 VAL H . 30949 1
269 . 1 . 1 27 27 VAL HA H 1 4.178 0.001 . 1 . . . . A 27 VAL HA . 30949 1
270 . 1 . 1 27 27 VAL HB H 1 2.014 0.008 . 1 . . . . A 27 VAL HB . 30949 1
271 . 1 . 1 27 27 VAL HG11 H 1 0.938 0.000 . 2 . . . . A 27 VAL HG11 . 30949 1
272 . 1 . 1 27 27 VAL HG12 H 1 0.938 0.000 . 2 . . . . A 27 VAL HG12 . 30949 1
273 . 1 . 1 27 27 VAL HG13 H 1 0.938 0.000 . 2 . . . . A 27 VAL HG13 . 30949 1
274 . 1 . 1 27 27 VAL HG21 H 1 0.474 0.010 . 2 . . . . A 27 VAL HG21 . 30949 1
275 . 1 . 1 27 27 VAL HG22 H 1 0.474 0.010 . 2 . . . . A 27 VAL HG22 . 30949 1
276 . 1 . 1 27 27 VAL HG23 H 1 0.474 0.010 . 2 . . . . A 27 VAL HG23 . 30949 1
277 . 1 . 1 27 27 VAL CB C 13 35.590 0.000 . 1 . . . . A 27 VAL CB . 30949 1
278 . 1 . 1 27 27 VAL CG1 C 13 22.145 0.000 . 2 . . . . A 27 VAL CG1 . 30949 1
279 . 1 . 1 27 27 VAL CG2 C 13 21.587 0.000 . 2 . . . . A 27 VAL CG2 . 30949 1
280 . 1 . 1 27 27 VAL N N 15 125.470 0.000 . 1 . . . . A 27 VAL N . 30949 1
281 . 1 . 1 28 28 CYS H H 1 7.879 0.004 . 1 . . . . A 28 CYS H . 30949 1
282 . 1 . 1 28 28 CYS HA H 1 4.849 0.022 . 1 . . . . A 28 CYS HA . 30949 1
283 . 1 . 1 28 28 CYS HB2 H 1 3.129 0.006 . 2 . . . . A 28 CYS HB2 . 30949 1
284 . 1 . 1 28 28 CYS HB3 H 1 2.713 0.004 . 2 . . . . A 28 CYS HB3 . 30949 1
285 . 1 . 1 28 28 CYS CA C 13 56.709 0.000 . 1 . . . . A 28 CYS CA . 30949 1
286 . 1 . 1 28 28 CYS CB C 13 45.016 0.040 . 1 . . . . A 28 CYS CB . 30949 1
287 . 1 . 1 28 28 CYS N N 15 123.201 0.000 . 1 . . . . A 28 CYS N . 30949 1
288 . 1 . 1 29 29 TYR H H 1 9.443 0.004 . 1 . . . . A 29 TYR H . 30949 1
289 . 1 . 1 29 29 TYR HA H 1 5.234 0.006 . 1 . . . . A 29 TYR HA . 30949 1
290 . 1 . 1 29 29 TYR HB2 H 1 2.845 0.006 . 2 . . . . A 29 TYR HB2 . 30949 1
291 . 1 . 1 29 29 TYR HB3 H 1 2.758 0.009 . 2 . . . . A 29 TYR HB3 . 30949 1
292 . 1 . 1 29 29 TYR HD1 H 1 6.830 0.001 . 3 . . . . A 29 TYR HD1 . 30949 1
293 . 1 . 1 29 29 TYR HD2 H 1 6.830 0.001 . 3 . . . . A 29 TYR HD2 . 30949 1
294 . 1 . 1 29 29 TYR HE1 H 1 6.935 0.000 . 3 . . . . A 29 TYR HE1 . 30949 1
295 . 1 . 1 29 29 TYR HE2 H 1 6.935 0.000 . 3 . . . . A 29 TYR HE2 . 30949 1
296 . 1 . 1 29 29 TYR CA C 13 58.882 0.000 . 1 . . . . A 29 TYR CA . 30949 1
297 . 1 . 1 29 29 TYR CB C 13 45.527 0.010 . 1 . . . . A 29 TYR CB . 30949 1
298 . 1 . 1 29 29 TYR N N 15 125.533 0.000 . 1 . . . . A 29 TYR N . 30949 1
299 . 1 . 1 30 30 LYS H H 1 8.914 0.002 . 1 . . . . A 30 LYS H . 30949 1
300 . 1 . 1 30 30 LYS HA H 1 4.587 0.002 . 1 . . . . A 30 LYS HA . 30949 1
301 . 1 . 1 30 30 LYS HB2 H 1 1.935 0.006 . 2 . . . . A 30 LYS HB2 . 30949 1
302 . 1 . 1 30 30 LYS HB3 H 1 1.876 0.000 . 2 . . . . A 30 LYS HB3 . 30949 1
303 . 1 . 1 30 30 LYS HG2 H 1 1.355 0.005 . 2 . . . . A 30 LYS HG2 . 30949 1
304 . 1 . 1 30 30 LYS HG3 H 1 1.210 0.003 . 2 . . . . A 30 LYS HG3 . 30949 1
305 . 1 . 1 30 30 LYS HD2 H 1 1.741 0.004 . 2 . . . . A 30 LYS HD2 . 30949 1
306 . 1 . 1 30 30 LYS HD3 H 1 1.651 0.002 . 2 . . . . A 30 LYS HD3 . 30949 1
307 . 1 . 1 30 30 LYS HE2 H 1 3.012 0.003 . 2 . . . . A 30 LYS HE2 . 30949 1
308 . 1 . 1 30 30 LYS HE3 H 1 3.012 0.003 . 2 . . . . A 30 LYS HE3 . 30949 1
309 . 1 . 1 30 30 LYS CA C 13 57.027 0.000 . 1 . . . . A 30 LYS CA . 30949 1
310 . 1 . 1 30 30 LYS CB C 13 34.986 0.000 . 1 . . . . A 30 LYS CB . 30949 1
311 . 1 . 1 30 30 LYS CG C 13 24.895 0.000 . 1 . . . . A 30 LYS CG . 30949 1
312 . 1 . 1 30 30 LYS CD C 13 29.457 0.000 . 1 . . . . A 30 LYS CD . 30949 1
313 . 1 . 1 30 30 LYS CE C 13 42.193 0.000 . 1 . . . . A 30 LYS CE . 30949 1
314 . 1 . 1 30 30 LYS N N 15 121.321 0.000 . 1 . . . . A 30 LYS N . 30949 1
315 . 1 . 1 31 31 ASN H H 1 9.725 0.002 . 1 . . . . A 31 ASN H . 30949 1
316 . 1 . 1 31 31 ASN HA H 1 4.376 0.006 . 1 . . . . A 31 ASN HA . 30949 1
317 . 1 . 1 31 31 ASN HB2 H 1 3.090 0.002 . 2 . . . . A 31 ASN HB2 . 30949 1
318 . 1 . 1 31 31 ASN HB3 H 1 2.839 0.003 . 2 . . . . A 31 ASN HB3 . 30949 1
319 . 1 . 1 31 31 ASN HD21 H 1 7.703 0.005 . 2 . . . . A 31 ASN HD21 . 30949 1
320 . 1 . 1 31 31 ASN HD22 H 1 7.011 0.008 . 2 . . . . A 31 ASN HD22 . 30949 1
321 . 1 . 1 31 31 ASN CA C 13 54.400 0.000 . 1 . . . . A 31 ASN CA . 30949 1
322 . 1 . 1 31 31 ASN CB C 13 37.463 0.004 . 1 . . . . A 31 ASN CB . 30949 1
323 . 1 . 1 31 31 ASN N N 15 127.756 0.000 . 1 . . . . A 31 ASN N . 30949 1
324 . 1 . 1 31 31 ASN ND2 N 15 112.956 0.003 . 1 . . . . A 31 ASN ND2 . 30949 1
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