Content for NMR-STAR saveframe, "chemical_shifts_in_TFE_50%"
save_chemical_shifts_in_TFE_50%
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shifts_in_TFE_50%
_Assigned_chem_shift_list.Entry_ID 6757
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $303K
_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 0.01
_Assigned_chem_shift_list.Chem_shift_13C_err 0.05
_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 'TOCSY in TFE 50%' 1 $TFE_50% isotropic 6757 1
2 '1H_13C_HSQC in TFE 50%' 1 $TFE_50% isotropic 6757 1
3 'NOESY in TFE 50%' 1 $TFE_50% isotropic 6757 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 $Sparky_3.110 . . 6757 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 1 1 SER HA H 1 4.25 0.01 . 1 . . . . 1 SER HA . 6757 1
2 . 1 1 1 1 SER HB2 H 1 4.08 0.01 . 1 . . . . 1 SER HB2 . 6757 1
3 . 1 1 1 1 SER HB3 H 1 4.08 0.01 . 1 . . . . 1 SER HB3 . 6757 1
4 . 1 1 1 1 SER CA C 13 58.15 0.05 . 1 . . . . 1 SER CA . 6757 1
5 . 1 1 2 2 GLY H H 1 8.65 0.01 . 1 . . . . 2 GLY H . 6757 1
6 . 1 1 2 2 GLY HA2 H 1 4.03 0.01 . 1 . . . . 2 GLY HA2 . 6757 1
7 . 1 1 2 2 GLY HA3 H 1 4.03 0.01 . 1 . . . . 2 GLY HA3 . 6757 1
8 . 1 1 2 2 GLY CA C 13 46.17 0.05 . 1 . . . . 2 GLY CA . 6757 1
9 . 1 1 3 3 ASN H H 1 8.11 0.01 . 1 . . . . 3 ASN H . 6757 1
10 . 1 1 3 3 ASN HA H 1 4.74 0.01 . 1 . . . . 3 ASN HA . 6757 1
11 . 1 1 3 3 ASN HB2 H 1 2.79 0.03 . 2 . . . . 3 ASN HB2 . 6757 1
12 . 1 1 3 3 ASN HB3 H 1 2.92 0.03 . 2 . . . . 3 ASN HB3 . 6757 1
13 . 1 1 3 3 ASN CB C 13 39.64 0.01 . 1 . . . . 3 ASN CB . 6757 1
14 . 1 1 4 4 TYR H H 1 8.05 0.01 . 1 . . . . 4 TYR H . 6757 1
15 . 1 1 4 4 TYR HA H 1 4.43 0.01 . 1 . . . . 4 TYR HA . 6757 1
16 . 1 1 4 4 TYR HB2 H 1 3.13 0.01 . 1 . . . . 4 TYR HB2 . 6757 1
17 . 1 1 4 4 TYR HB3 H 1 3.13 0.01 . 1 . . . . 4 TYR HB3 . 6757 1
18 . 1 1 4 4 TYR HD1 H 1 7.17 0.01 . 1 . . . . 4 TYR HD1 . 6757 1
19 . 1 1 4 4 TYR HD2 H 1 7.17 0.01 . 1 . . . . 4 TYR HD2 . 6757 1
20 . 1 1 4 4 TYR HE1 H 1 6.85 0.02 . 1 . . . . 4 TYR HE1 . 6757 1
21 . 1 1 4 4 TYR HE2 H 1 6.85 0.02 . 1 . . . . 4 TYR HE2 . 6757 1
22 . 1 1 4 4 TYR CA C 13 61.49 0.05 . 1 . . . . 4 TYR CA . 6757 1
23 . 1 1 4 4 TYR CB C 13 39.23 0.05 . 1 . . . . 4 TYR CB . 6757 1
24 . 1 1 4 4 TYR CD1 C 13 133.79 0.05 . 1 . . . . 4 TYR CD1 . 6757 1
25 . 1 1 4 4 TYR CD2 C 13 133.79 0.05 . 1 . . . . 4 TYR CD2 . 6757 1
26 . 1 1 4 4 TYR CE1 C 13 119.12 0.05 . 1 . . . . 4 TYR CE1 . 6757 1
27 . 1 1 4 4 TYR CE2 C 13 119.12 0.05 . 1 . . . . 4 TYR CE2 . 6757 1
28 . 1 1 5 5 VAL H H 1 7.65 0.01 . 1 . . . . 5 VAL H . 6757 1
29 . 1 1 5 5 VAL HA H 1 3.69 0.01 . 1 . . . . 5 VAL HA . 6757 1
30 . 1 1 5 5 VAL HB H 1 2.13 0.01 . 1 . . . . 5 VAL HB . 6757 1
31 . 1 1 5 5 VAL HG11 H 1 1.04 0.02 . 1 . . . . 5 VAL HG1 . 6757 1
32 . 1 1 5 5 VAL HG12 H 1 1.04 0.02 . 1 . . . . 5 VAL HG1 . 6757 1
33 . 1 1 5 5 VAL HG13 H 1 1.04 0.02 . 1 . . . . 5 VAL HG1 . 6757 1
34 . 1 1 5 5 VAL HG21 H 1 0.98 0.02 . 1 . . . . 5 VAL HG2 . 6757 1
35 . 1 1 5 5 VAL HG22 H 1 0.98 0.02 . 1 . . . . 5 VAL HG2 . 6757 1
36 . 1 1 5 5 VAL HG23 H 1 0.98 0.02 . 1 . . . . 5 VAL HG2 . 6757 1
37 . 1 1 5 5 VAL CA C 13 67.48 0.05 . 1 . . . . 5 VAL CA . 6757 1
38 . 1 1 5 5 VAL CB C 13 32.53 0.05 . 1 . . . . 5 VAL CB . 6757 1
39 . 1 1 5 5 VAL CG1 C 13 21.90 0.05 . 2 . . . . 5 VAL CG1 . 6757 1
40 . 1 1 5 5 VAL CG2 C 13 21.60 0.05 . 2 . . . . 5 VAL CG2 . 6757 1
41 . 1 1 6 6 LEU H H 1 7.57 0.01 . 1 . . . . 6 LEU H . 6757 1
42 . 1 1 6 6 LEU HA H 1 4.09 0.01 . 1 . . . . 6 LEU HA . 6757 1
43 . 1 1 6 6 LEU HB2 H 1 1.65 0.01 . 1 . . . . 6 LEU HB2 . 6757 1
44 . 1 1 6 6 LEU HB3 H 1 1.65 0.01 . 1 . . . . 6 LEU HB3 . 6757 1
45 . 1 1 6 6 LEU HG H 1 1.68 0.01 . 1 . . . . 6 LEU HG . 6757 1
46 . 1 1 6 6 LEU HD11 H 1 0.96 0.01 . 1 . . . . 6 LEU HD1 . 6757 1
47 . 1 1 6 6 LEU HD12 H 1 0.96 0.01 . 1 . . . . 6 LEU HD1 . 6757 1
48 . 1 1 6 6 LEU HD13 H 1 0.96 0.01 . 1 . . . . 6 LEU HD1 . 6757 1
49 . 1 1 6 6 LEU HD21 H 1 0.90 0.01 . 1 . . . . 6 LEU HD2 . 6757 1
50 . 1 1 6 6 LEU HD22 H 1 0.90 0.01 . 1 . . . . 6 LEU HD2 . 6757 1
51 . 1 1 6 6 LEU HD23 H 1 0.90 0.01 . 1 . . . . 6 LEU HD2 . 6757 1
52 . 1 1 6 6 LEU CA C 13 59.45 0.05 . 1 . . . . 6 LEU CA . 6757 1
53 . 1 1 6 6 LEU CB C 13 42.27 0.05 . 1 . . . . 6 LEU CB . 6757 1
54 . 1 1 6 6 LEU CG C 13 27.85 0.05 . 1 . . . . 6 LEU CG . 6757 1
55 . 1 1 6 6 LEU CD1 C 13 24.77 0.05 . 2 . . . . 6 LEU CD1 . 6757 1
56 . 1 1 6 6 LEU CD2 C 13 23.75 0.05 . 2 . . . . 6 LEU CD2 . 6757 1
57 . 1 1 7 7 ASP H H 1 7.96 0.01 . 1 . . . . 7 ASP H . 6757 1
58 . 1 1 7 7 ASP HA H 1 4.49 0.01 . 1 . . . . 7 ASP HA . 6757 1
59 . 1 1 7 7 ASP HB2 H 1 2.91 0.01 . 2 . . . . 7 ASP HB2 . 6757 1
60 . 1 1 7 7 ASP HB3 H 1 3.11 0.01 . 2 . . . . 7 ASP HB3 . 6757 1
61 . 1 1 7 7 ASP CA C 13 57.11 0.05 . 1 . . . . 7 ASP CA . 6757 1
62 . 1 1 7 7 ASP CB C 13 38.36 0.05 . 1 . . . . 7 ASP CB . 6757 1
63 . 1 1 8 8 LEU H H 1 8.15 0.01 . 1 . . . . 8 LEU H . 6757 1
64 . 1 1 8 8 LEU HA H 1 4.18 0.01 . 1 . . . . 8 LEU HA . 6757 1
65 . 1 1 8 8 LEU HB2 H 1 1.82 0.01 . 2 . . . . 8 LEU HB2 . 6757 1
66 . 1 1 8 8 LEU HB3 H 1 1.97 0.01 . 2 . . . . 8 LEU HB3 . 6757 1
67 . 1 1 8 8 LEU HG H 1 1.69 0.01 . 1 . . . . 8 LEU HG . 6757 1
68 . 1 1 8 8 LEU HD11 H 1 0.96 0.01 . 1 . . . . 8 LEU HD1 . 6757 1
69 . 1 1 8 8 LEU HD12 H 1 0.96 0.01 . 1 . . . . 8 LEU HD1 . 6757 1
70 . 1 1 8 8 LEU HD13 H 1 0.96 0.01 . 1 . . . . 8 LEU HD1 . 6757 1
71 . 1 1 8 8 LEU HD21 H 1 0.96 0.01 . 1 . . . . 8 LEU HD2 . 6757 1
72 . 1 1 8 8 LEU HD22 H 1 0.96 0.01 . 1 . . . . 8 LEU HD2 . 6757 1
73 . 1 1 8 8 LEU HD23 H 1 0.96 0.01 . 1 . . . . 8 LEU HD2 . 6757 1
74 . 1 1 8 8 LEU CA C 13 59.66 0.05 . 1 . . . . 8 LEU CA . 6757 1
75 . 1 1 8 8 LEU CB C 13 42.60 0.01 . 1 . . . . 8 LEU CB . 6757 1
76 . 1 1 8 8 LEU CG C 13 27.91 0.05 . 1 . . . . 8 LEU CG . 6757 1
77 . 1 1 8 8 LEU CD1 C 13 24.77 0.05 . 2 . . . . 8 LEU CD1 . 6757 1
78 . 1 1 8 8 LEU CD2 C 13 24.36 0.05 . 2 . . . . 8 LEU CD2 . 6757 1
79 . 1 1 9 9 ILE H H 1 8.48 0.01 . 1 . . . . 9 ILE H . 6757 1
80 . 1 1 9 9 ILE HA H 1 3.73 0.01 . 1 . . . . 9 ILE HA . 6757 1
81 . 1 1 9 9 ILE HB H 1 2.04 0.01 . 1 . . . . 9 ILE HB . 6757 1
82 . 1 1 9 9 ILE HG12 H 1 1.26 0.01 . 2 . . . . 9 ILE HG12 . 6757 1
83 . 1 1 9 9 ILE HG13 H 1 1.88 0.01 . 2 . . . . 9 ILE HG13 . 6757 1
84 . 1 1 9 9 ILE HG21 H 1 0.94 0.01 . 1 . . . . 9 ILE HG2 . 6757 1
85 . 1 1 9 9 ILE HG22 H 1 0.94 0.01 . 1 . . . . 9 ILE HG2 . 6757 1
86 . 1 1 9 9 ILE HG23 H 1 0.94 0.01 . 1 . . . . 9 ILE HG2 . 6757 1
87 . 1 1 9 9 ILE HD11 H 1 0.89 0.01 . 1 . . . . 9 ILE HD1 . 6757 1
88 . 1 1 9 9 ILE HD12 H 1 0.89 0.01 . 1 . . . . 9 ILE HD1 . 6757 1
89 . 1 1 9 9 ILE HD13 H 1 0.89 0.01 . 1 . . . . 9 ILE HD1 . 6757 1
90 . 1 1 9 9 ILE CA C 13 66.71 0.05 . 1 . . . . 9 ILE CA . 6757 1
91 . 1 1 9 9 ILE CB C 13 38.86 0.05 . 1 . . . . 9 ILE CB . 6757 1
92 . 1 1 9 9 ILE CG1 C 13 29.59 0.05 . 1 . . . . 9 ILE CG1 . 6757 1
93 . 1 1 9 9 ILE CG2 C 13 17.57 0.05 . 1 . . . . 9 ILE CG2 . 6757 1
94 . 1 1 9 9 ILE CD1 C 13 13.21 0.05 . 1 . . . . 9 ILE CD1 . 6757 1
95 . 1 1 10 10 TYR H H 1 8.92 0.01 . 1 . . . . 10 TYR H . 6757 1
96 . 1 1 10 10 TYR HA H 1 4.28 0.01 . 1 . . . . 10 TYR HA . 6757 1
97 . 1 1 10 10 TYR HB2 H 1 3.24 0.01 . 2 . . . . 10 TYR HB2 . 6757 1
98 . 1 1 10 10 TYR HB3 H 1 3.26 0.01 . 1 . . . . 10 TYR HB3 . 6757 1
99 . 1 1 10 10 TYR HD1 H 1 7.18 0.01 . 1 . . . . 10 TYR HD1 . 6757 1
100 . 1 1 10 10 TYR HD2 H 1 7.18 0.01 . 1 . . . . 10 TYR HD2 . 6757 1
101 . 1 1 10 10 TYR HE1 H 1 6.87 0.02 . 1 . . . . 10 TYR HE1 . 6757 1
102 . 1 1 10 10 TYR HE2 H 1 6.87 0.02 . 1 . . . . 10 TYR HE2 . 6757 1
103 . 1 1 10 10 TYR CA C 13 62.62 0.05 . 1 . . . . 10 TYR CA . 6757 1
104 . 1 1 10 10 TYR CB C 13 39.13 0.05 . 1 . . . . 10 TYR CB . 6757 1
105 . 1 1 10 10 TYR CD1 C 13 133.79 0.05 . 1 . . . . 10 TYR CD1 . 6757 1
106 . 1 1 10 10 TYR CD2 C 13 133.79 0.05 . 1 . . . . 10 TYR CD2 . 6757 1
107 . 1 1 10 10 TYR CE1 C 13 118.82 0.05 . 1 . . . . 10 TYR CE1 . 6757 1
108 . 1 1 10 10 TYR CE2 C 13 118.82 0.05 . 1 . . . . 10 TYR CE2 . 6757 1
109 . 1 1 11 11 SER H H 1 8.40 0.01 . 1 . . . . 11 SER H . 6757 1
110 . 1 1 11 11 SER HA H 1 4.30 0.01 . 1 . . . . 11 SER HA . 6757 1
111 . 1 1 11 11 SER HB2 H 1 4.07 0.01 . 2 . . . . 11 SER HB2 . 6757 1
112 . 1 1 11 11 SER HB3 H 1 4.15 0.01 . 2 . . . . 11 SER HB3 . 6757 1
113 . 1 1 11 11 SER CA C 13 63.86 0.05 . 1 . . . . 11 SER CA . 6757 1
114 . 1 1 11 11 SER CB C 13 63.88 0.08 . 1 . . . . 11 SER CB . 6757 1
115 . 1 1 12 12 LEU H H 1 8.81 0.01 . 1 . . . . 12 LEU H . 6757 1
116 . 1 1 12 12 LEU HA H 1 4.19 0.01 . 1 . . . . 12 LEU HA . 6757 1
117 . 1 1 12 12 LEU HB2 H 1 1.63 0.01 . 2 . . . . 12 LEU HB2 . 6757 1
118 . 1 1 12 12 LEU HB3 H 1 1.94 0.01 . 2 . . . . 12 LEU HB3 . 6757 1
119 . 1 1 12 12 LEU HG H 1 1.81 0.01 . 1 . . . . 12 LEU HG . 6757 1
120 . 1 1 12 12 LEU HD11 H 1 0.90 0.01 . 1 . . . . 12 LEU HD1 . 6757 1
121 . 1 1 12 12 LEU HD12 H 1 0.90 0.01 . 1 . . . . 12 LEU HD1 . 6757 1
122 . 1 1 12 12 LEU HD13 H 1 0.90 0.01 . 1 . . . . 12 LEU HD1 . 6757 1
123 . 1 1 12 12 LEU HD21 H 1 0.90 0.01 . 1 . . . . 12 LEU HD2 . 6757 1
124 . 1 1 12 12 LEU HD22 H 1 0.90 0.01 . 1 . . . . 12 LEU HD2 . 6757 1
125 . 1 1 12 12 LEU HD23 H 1 0.90 0.01 . 1 . . . . 12 LEU HD2 . 6757 1
126 . 1 1 12 12 LEU CA C 13 59.09 0.05 . 1 . . . . 12 LEU CA . 6757 1
127 . 1 1 12 12 LEU CB C 13 42.68 0.05 . 1 . . . . 12 LEU CB . 6757 1
128 . 1 1 12 12 LEU CG C 13 27.69 0.05 . 1 . . . . 12 LEU CG . 6757 1
129 . 1 1 12 12 LEU CD1 C 13 24.85 0.05 . 2 . . . . 12 LEU CD1 . 6757 1
130 . 1 1 12 12 LEU CD2 C 13 23.75 0.05 . 2 . . . . 12 LEU CD2 . 6757 1
131 . 1 1 13 13 HIS H H 1 8.36 0.01 . 1 . . . . 13 HIS H . 6757 1
132 . 1 1 13 13 HIS HA H 1 4.24 0.01 . 1 . . . . 13 HIS HA . 6757 1
133 . 1 1 13 13 HIS HB2 H 1 3.32 0.01 . 2 . . . . 13 HIS HB2 . 6757 1
134 . 1 1 13 13 HIS HB3 H 1 3.41 0.01 . 2 . . . . 13 HIS HB3 . 6757 1
135 . 1 1 13 13 HIS HD2 H 1 7.31 0.01 . 1 . . . . 13 HIS HD2 . 6757 1
136 . 1 1 13 13 HIS HE1 H 1 8.46 0.01 . 1 . . . . 13 HIS HE1 . 6757 1
137 . 1 1 13 13 HIS CA C 13 60.53 0.05 . 1 . . . . 13 HIS CA . 6757 1
138 . 1 1 13 13 HIS CB C 13 28.58 0.01 . 1 . . . . 13 HIS CB . 6757 1
139 . 1 1 13 13 HIS CD2 C 13 120.59 0.05 . 1 . . . . 13 HIS CD2 . 6757 1
140 . 1 1 13 13 HIS CE1 C 13 136.63 0.05 . 1 . . . . 13 HIS CE1 . 6757 1
141 . 1 1 14 14 LYS H H 1 8.21 0.01 . 1 . . . . 14 LYS H . 6757 1
142 . 1 1 14 14 LYS HA H 1 4.04 0.01 . 1 . . . . 14 LYS HA . 6757 1
143 . 1 1 14 14 LYS HB2 H 1 1.90 0.01 . 1 . . . . 14 LYS HB2 . 6757 1
144 . 1 1 14 14 LYS HB3 H 1 1.90 0.01 . 1 . . . . 14 LYS HB3 . 6757 1
145 . 1 1 14 14 LYS HG2 H 1 1.36 0.01 . 2 . . . . 14 LYS HG3 . 6757 1
146 . 1 1 14 14 LYS HG3 H 1 1.47 0.01 . 2 . . . . 14 LYS HG3 . 6757 1
147 . 1 1 14 14 LYS HD2 H 1 1.69 0.01 . 1 . . . . 14 LYS HD2 . 6757 1
148 . 1 1 14 14 LYS HD3 H 1 1.69 0.01 . 1 . . . . 14 LYS HD3 . 6757 1
149 . 1 1 14 14 LYS HE2 H 1 2.93 0.01 . 1 . . . . 14 LYS HE2 . 6757 1
150 . 1 1 14 14 LYS HE3 H 1 2.93 0.01 . 1 . . . . 14 LYS HE3 . 6757 1
151 . 1 1 14 14 LYS CA C 13 60.25 0.05 . 1 . . . . 14 LYS CA . 6757 1
152 . 1 1 14 14 LYS CB C 13 33.02 0.05 . 1 . . . . 14 LYS CB . 6757 1
153 . 1 1 14 14 LYS CG C 13 25.68 0.01 . 1 . . . . 14 LYS CG . 6757 1
154 . 1 1 14 14 LYS CD C 13 30.18 0.05 . 1 . . . . 14 LYS CD . 6757 1
155 . 1 1 14 14 LYS CE C 13 43.03 0.05 . 1 . . . . 14 LYS CE . 6757 1
156 . 1 1 15 15 GLN H H 1 8.05 0.01 . 1 . . . . 15 GLN H . 6757 1
157 . 1 1 15 15 GLN HA H 1 4.18 0.01 . 1 . . . . 15 GLN HA . 6757 1
158 . 1 1 15 15 GLN HB2 H 1 2.27 0.01 . 1 . . . . 15 GLN HB2 . 6757 1
159 . 1 1 15 15 GLN HB3 H 1 2.27 0.01 . 1 . . . . 15 GLN HB3 . 6757 1
160 . 1 1 15 15 GLN HG2 H 1 2.50 0.01 . 1 . . . . 15 GLN HG2 . 6757 1
161 . 1 1 15 15 GLN HG3 H 1 2.50 0.01 . 1 . . . . 15 GLN HG3 . 6757 1
162 . 1 1 15 15 GLN HE21 H 1 7.10 0.01 . 2 . . . . 15 GLN HE21 . 6757 1
163 . 1 1 15 15 GLN HE22 H 1 6.57 0.01 . 2 . . . . 15 GLN HE22 . 6757 1
164 . 1 1 15 15 GLN CA C 13 59.59 0.05 . 1 . . . . 15 GLN CA . 6757 1
165 . 1 1 15 15 GLN CB C 13 29.57 0.05 . 1 . . . . 15 GLN CB . 6757 1
166 . 1 1 15 15 GLN CG C 13 34.41 0.05 . 1 . . . . 15 GLN CG . 6757 1
167 . 1 1 16 16 ILE H H 1 8.39 0.01 . 1 . . . . 16 ILE H . 6757 1
168 . 1 1 16 16 ILE HA H 1 3.87 0.01 . 1 . . . . 16 ILE HA . 6757 1
169 . 1 1 16 16 ILE HB H 1 1.90 0.01 . 1 . . . . 16 ILE HB . 6757 1
170 . 1 1 16 16 ILE HG12 H 1 1.17 0.01 . 2 . . . . 16 ILE HG12 . 6757 1
171 . 1 1 16 16 ILE HG13 H 1 1.75 0.01 . 2 . . . . 16 ILE HG13 . 6757 1
172 . 1 1 16 16 ILE HG21 H 1 0.94 0.01 . 1 . . . . 16 ILE HG2 . 6757 1
173 . 1 1 16 16 ILE HG22 H 1 0.94 0.01 . 1 . . . . 16 ILE HG2 . 6757 1
174 . 1 1 16 16 ILE HG23 H 1 0.94 0.01 . 1 . . . . 16 ILE HG2 . 6757 1
175 . 1 1 16 16 ILE HD11 H 1 0.81 0.01 . 1 . . . . 16 ILE HD1 . 6757 1
176 . 1 1 16 16 ILE HD12 H 1 0.81 0.01 . 1 . . . . 16 ILE HD1 . 6757 1
177 . 1 1 16 16 ILE HD13 H 1 0.81 0.01 . 1 . . . . 16 ILE HD1 . 6757 1
178 . 1 1 16 16 ILE CA C 13 65.64 0.05 . 1 . . . . 16 ILE CA . 6757 1
179 . 1 1 16 16 ILE CB C 13 39.19 0.05 . 1 . . . . 16 ILE CB . 6757 1
180 . 1 1 16 16 ILE CG1 C 13 29.56 0.01 . 1 . . . . 16 ILE CG1 . 6757 1
181 . 1 1 16 16 ILE CG2 C 13 17.57 0.05 . 1 . . . . 16 ILE CG2 . 6757 1
182 . 1 1 16 16 ILE CD1 C 13 13.32 0.05 . 1 . . . . 16 ILE CD1 . 6757 1
183 . 1 1 17 17 ASN H H 1 8.11 0.01 . 1 . . . . 17 ASN H . 6757 1
184 . 1 1 17 17 ASN HA H 1 4.49 0.01 . 1 . . . . 17 ASN HA . 6757 1
185 . 1 1 17 17 ASN HB2 H 1 2.82 0.03 . 2 . . . . 17 ASN HB2 . 6757 1
186 . 1 1 17 17 ASN HB3 H 1 2.85 0.01 . 1 . . . . 17 ASN HB3 . 6757 1
187 . 1 1 17 17 ASN CA C 13 57.11 0.05 . 1 . . . . 17 ASN CA . 6757 1
188 . 1 1 17 17 ASN CB C 13 39.78 0.05 . 1 . . . . 17 ASN CB . 6757 1
189 . 1 1 18 18 ARG H H 1 8.02 0.01 . 1 . . . . 18 ARG H . 6757 1
190 . 1 1 18 18 ARG HA H 1 4.14 0.01 . 1 . . . . 18 ARG HA . 6757 1
191 . 1 1 18 18 ARG HB2 H 1 2.00 0.01 . 1 . . . . 18 ARG HB2 . 6757 1
192 . 1 1 18 18 ARG HB3 H 1 2.00 0.01 . 1 . . . . 18 ARG HB3 . 6757 1
193 . 1 1 18 18 ARG HG2 H 1 1.72 0.01 . 2 . . . . 18 ARG HG2 . 6757 1
194 . 1 1 18 18 ARG HG3 H 1 1.87 0.01 . 2 . . . . 18 ARG HG3 . 6757 1
195 . 1 1 18 18 ARG HD2 H 1 3.25 0.01 . 1 . . . . 18 ARG HD2 . 6757 1
196 . 1 1 18 18 ARG HD3 H 1 3.25 0.01 . 1 . . . . 18 ARG HD3 . 6757 1
197 . 1 1 18 18 ARG HE H 1 7.28 0.01 . 1 . . . . 18 ARG HE . 6757 1
198 . 1 1 18 18 ARG CA C 13 59.86 0.05 . 1 . . . . 18 ARG CA . 6757 1
199 . 1 1 18 18 ARG CB C 13 31.18 0.05 . 1 . . . . 18 ARG CB . 6757 1
200 . 1 1 18 18 ARG CG C 13 28.40 0.05 . 1 . . . . 18 ARG CG . 6757 1
201 . 1 1 18 18 ARG CD C 13 44.50 0.05 . 1 . . . . 18 ARG CD . 6757 1
202 . 1 1 19 19 GLY H H 1 8.19 0.01 . 1 . . . . 19 GLY H . 6757 1
203 . 1 1 19 19 GLY HA2 H 1 3.94 0.01 . 1 . . . . 19 GLY HA2 . 6757 1
204 . 1 1 19 19 GLY HA3 H 1 3.94 0.01 . 1 . . . . 19 GLY HA3 . 6757 1
205 . 1 1 19 19 GLY CA C 13 47.41 0.05 . 1 . . . . 19 GLY CA . 6757 1
206 . 1 1 20 20 LEU H H 1 8.22 0.01 . 1 . . . . 20 LEU H . 6757 1
207 . 1 1 20 20 LEU HA H 1 4.25 0.01 . 1 . . . . 20 LEU HA . 6757 1
208 . 1 1 20 20 LEU HB2 H 1 1.62 0.01 . 2 . . . . 20 LEU HB2 . 6757 1
209 . 1 1 20 20 LEU HB3 H 1 1.83 0.01 . 2 . . . . 20 LEU HB3 . 6757 1
210 . 1 1 20 20 LEU HG H 1 1.65 0.01 . 1 . . . . 20 LEU HG . 6757 1
211 . 1 1 20 20 LEU HD11 H 1 0.94 0.01 . 1 . . . . 20 LEU HD1 . 6757 1
212 . 1 1 20 20 LEU HD12 H 1 0.94 0.01 . 1 . . . . 20 LEU HD1 . 6757 1
213 . 1 1 20 20 LEU HD13 H 1 0.94 0.01 . 1 . . . . 20 LEU HD1 . 6757 1
214 . 1 1 20 20 LEU HD21 H 1 0.94 0.01 . 1 . . . . 20 LEU HD2 . 6757 1
215 . 1 1 20 20 LEU HD22 H 1 0.94 0.01 . 1 . . . . 20 LEU HD2 . 6757 1
216 . 1 1 20 20 LEU HD23 H 1 0.94 0.01 . 1 . . . . 20 LEU HD2 . 6757 1
217 . 1 1 20 20 LEU CA C 13 58.55 0.05 . 1 . . . . 20 LEU CA . 6757 1
218 . 1 1 20 20 LEU CB C 13 42.99 0.05 . 1 . . . . 20 LEU CB . 6757 1
219 . 1 1 20 20 LEU CG C 13 27.88 0.05 . 1 . . . . 20 LEU CG . 6757 1
220 . 1 1 20 20 LEU CD1 C 13 25.23 0.05 . 2 . . . . 20 LEU CD1 . 6757 1
221 . 1 1 20 20 LEU CD2 C 13 23.75 0.05 . 2 . . . . 20 LEU CD2 . 6757 1
222 . 1 1 21 21 LYS H H 1 7.89 0.01 . 1 . . . . 21 LYS H . 6757 1
223 . 1 1 21 21 LYS HA H 1 4.03 0.01 . 1 . . . . 21 LYS HA . 6757 1
224 . 1 1 21 21 LYS HB2 H 1 1.92 0.01 . 1 . . . . 21 LYS HB2 . 6757 1
225 . 1 1 21 21 LYS HB3 H 1 1.92 0.01 . 1 . . . . 21 LYS HB3 . 6757 1
226 . 1 1 21 21 LYS HG2 H 1 1.46 0.01 . 2 . . . . 21 LYS HG2 . 6757 1
227 . 1 1 21 21 LYS HG3 H 1 1.59 0.01 . 2 . . . . 21 LYS HG3 . 6757 1
228 . 1 1 21 21 LYS HD2 H 1 1.70 0.01 . 1 . . . . 21 LYS HD2 . 6757 1
229 . 1 1 21 21 LYS HD3 H 1 1.70 0.01 . 1 . . . . 21 LYS HD3 . 6757 1
230 . 1 1 21 21 LYS HE2 H 1 2.97 0.01 . 1 . . . . 21 LYS HE2 . 6757 1
231 . 1 1 21 21 LYS HE3 H 1 2.97 0.01 . 1 . . . . 21 LYS HE3 . 6757 1
232 . 1 1 21 21 LYS CA C 13 59.97 0.05 . 1 . . . . 21 LYS CA . 6757 1
233 . 1 1 21 21 LYS CB C 13 33.38 0.05 . 1 . . . . 21 LYS CB . 6757 1
234 . 1 1 21 21 LYS CG C 13 26.19 0.05 . 1 . . . . 21 LYS CG . 6757 1
235 . 1 1 21 21 LYS CD C 13 30.18 0.05 . 1 . . . . 21 LYS CD . 6757 1
236 . 1 1 21 21 LYS CE C 13 43.05 0.05 . 1 . . . . 21 LYS CE . 6757 1
237 . 1 1 22 22 LYS H H 1 7.71 0.01 . 1 . . . . 22 LYS H . 6757 1
238 . 1 1 22 22 LYS HA H 1 4.10 0.01 . 1 . . . . 22 LYS HA . 6757 1
239 . 1 1 22 22 LYS HB2 H 1 1.96 0.01 . 1 . . . . 22 LYS HB2 . 6757 1
240 . 1 1 22 22 LYS HB3 H 1 1.96 0.01 . 1 . . . . 22 LYS HB3 . 6757 1
241 . 1 1 22 22 LYS HG2 H 1 1.47 0.01 . 2 . . . . 22 LYS HG2 . 6757 1
242 . 1 1 22 22 LYS HG3 H 1 1.57 0.01 . 2 . . . . 22 LYS HG3 . 6757 1
243 . 1 1 22 22 LYS HD2 H 1 1.72 0.01 . 1 . . . . 22 LYS HD2 . 6757 1
244 . 1 1 22 22 LYS HD3 H 1 1.72 0.01 . 1 . . . . 22 LYS HD3 . 6757 1
245 . 1 1 22 22 LYS HE2 H 1 2.99 0.01 . 1 . . . . 22 LYS HE2 . 6757 1
246 . 1 1 22 22 LYS HE3 H 1 2.99 0.01 . 1 . . . . 22 LYS HE3 . 6757 1
247 . 1 1 22 22 LYS HZ1 H 1 7.59 0.01 . 1 . . . . 22 LYS HZ . 6757 1
248 . 1 1 22 22 LYS HZ2 H 1 7.59 0.01 . 1 . . . . 22 LYS HZ . 6757 1
249 . 1 1 22 22 LYS HZ3 H 1 7.59 0.01 . 1 . . . . 22 LYS HZ . 6757 1
250 . 1 1 22 22 LYS CA C 13 58.83 0.05 . 1 . . . . 22 LYS CA . 6757 1
251 . 1 1 22 22 LYS CB C 13 33.46 0.05 . 1 . . . . 22 LYS CB . 6757 1
252 . 1 1 22 22 LYS CG C 13 25.96 0.05 . 1 . . . . 22 LYS CG . 6757 1
253 . 1 1 22 22 LYS CD C 13 30.18 0.05 . 1 . . . . 22 LYS CD . 6757 1
254 . 1 1 22 22 LYS CE C 13 43.24 0.05 . 1 . . . . 22 LYS CE . 6757 1
255 . 1 1 23 23 ILE H H 1 7.75 0.01 . 1 . . . . 23 ILE H . 6757 1
256 . 1 1 23 23 ILE HA H 1 3.95 0.01 . 1 . . . . 23 ILE HA . 6757 1
257 . 1 1 23 23 ILE HB H 1 2.04 0.01 . 1 . . . . 23 ILE HB . 6757 1
258 . 1 1 23 23 ILE HG12 H 1 1.21 0.01 . 2 . . . . 23 ILE HG12 . 6757 1
259 . 1 1 23 23 ILE HG13 H 1 1.71 0.01 . 2 . . . . 23 ILE HG13 . 6757 1
260 . 1 1 23 23 ILE HG21 H 1 0.93 0.01 . 1 . . . . 23 ILE HG2 . 6757 1
261 . 1 1 23 23 ILE HG22 H 1 0.93 0.01 . 1 . . . . 23 ILE HG2 . 6757 1
262 . 1 1 23 23 ILE HG23 H 1 0.93 0.01 . 1 . . . . 23 ILE HG2 . 6757 1
263 . 1 1 23 23 ILE HD11 H 1 0.89 0.01 . 1 . . . . 23 ILE HD1 . 6757 1
264 . 1 1 23 23 ILE HD12 H 1 0.89 0.01 . 1 . . . . 23 ILE HD1 . 6757 1
265 . 1 1 23 23 ILE HD13 H 1 0.89 0.01 . 1 . . . . 23 ILE HD1 . 6757 1
266 . 1 1 23 23 ILE CA C 13 64.55 0.05 . 1 . . . . 23 ILE CA . 6757 1
267 . 1 1 23 23 ILE CB C 13 39.52 0.05 . 1 . . . . 23 ILE CB . 6757 1
268 . 1 1 23 23 ILE CG1 C 13 29.12 0.01 . 1 . . . . 23 ILE CG1 . 6757 1
269 . 1 1 23 23 ILE CG2 C 13 17.57 0.05 . 1 . . . . 23 ILE CG2 . 6757 1
270 . 1 1 23 23 ILE CD1 C 13 13.02 0.05 . 1 . . . . 23 ILE CD1 . 6757 1
271 . 1 1 24 24 VAL H H 1 8.06 0.01 . 1 . . . . 24 VAL H . 6757 1
272 . 1 1 24 24 VAL HA H 1 3.85 0.01 . 1 . . . . 24 VAL HA . 6757 1
273 . 1 1 24 24 VAL HB H 1 2.12 0.01 . 1 . . . . 24 VAL HB . 6757 1
274 . 1 1 24 24 VAL HG11 H 1 1.03 0.02 . 1 . . . . 24 VAL HG1 . 6757 1
275 . 1 1 24 24 VAL HG12 H 1 1.03 0.02 . 1 . . . . 24 VAL HG1 . 6757 1
276 . 1 1 24 24 VAL HG13 H 1 1.03 0.02 . 1 . . . . 24 VAL HG1 . 6757 1
277 . 1 1 24 24 VAL HG21 H 1 0.97 0.02 . 1 . . . . 24 VAL HG2 . 6757 1
278 . 1 1 24 24 VAL HG22 H 1 0.97 0.02 . 1 . . . . 24 VAL HG2 . 6757 1
279 . 1 1 24 24 VAL HG23 H 1 0.97 0.02 . 1 . . . . 24 VAL HG2 . 6757 1
280 . 1 1 24 24 VAL CA C 13 65.64 0.05 . 1 . . . . 24 VAL CA . 6757 1
281 . 1 1 24 24 VAL CB C 13 33.26 0.05 . 1 . . . . 24 VAL CB . 6757 1
282 . 1 1 24 24 VAL CG1 C 13 22.83 0.05 . 2 . . . . 24 VAL CG1 . 6757 1
283 . 1 1 24 24 VAL CG2 C 13 21.29 0.05 . 2 . . . . 24 VAL CG2 . 6757 1
284 . 1 1 25 25 LEU H H 1 7.96 0.01 . 1 . . . . 25 LEU H . 6757 1
285 . 1 1 25 25 LEU HA H 1 4.35 0.01 . 1 . . . . 25 LEU HA . 6757 1
286 . 1 1 25 25 LEU HB2 H 1 1.47 0.01 . 2 . . . . 25 LEU HB2 . 6757 1
287 . 1 1 25 25 LEU HB3 H 1 1.72 0.01 . 2 . . . . 25 LEU HB3 . 6757 1
288 . 1 1 25 25 LEU HG H 1 1.74 0.01 . 1 . . . . 25 LEU HG . 6757 1
289 . 1 1 25 25 LEU HD11 H 1 0.85 0.01 . 1 . . . . 25 LEU HD1 . 6757 1
290 . 1 1 25 25 LEU HD12 H 1 0.85 0.01 . 1 . . . . 25 LEU HD1 . 6757 1
291 . 1 1 25 25 LEU HD13 H 1 0.85 0.01 . 1 . . . . 25 LEU HD1 . 6757 1
292 . 1 1 25 25 LEU HD21 H 1 0.89 0.01 . 1 . . . . 25 LEU HD2 . 6757 1
293 . 1 1 25 25 LEU HD22 H 1 0.89 0.01 . 1 . . . . 25 LEU HD2 . 6757 1
294 . 1 1 25 25 LEU HD23 H 1 0.89 0.01 . 1 . . . . 25 LEU HD2 . 6757 1
295 . 1 1 25 25 LEU CA C 13 56.64 0.05 . 1 . . . . 25 LEU CA . 6757 1
296 . 1 1 25 25 LEU CB C 13 43.05 0.01 . 1 . . . . 25 LEU CB . 6757 1
297 . 1 1 25 25 LEU CG C 13 27.81 0.05 . 1 . . . . 25 LEU CG . 6757 1
298 . 1 1 25 25 LEU CD1 C 13 25.62 0.05 . 2 . . . . 25 LEU CD1 . 6757 1
299 . 1 1 25 25 LEU CD2 C 13 23.30 0.05 . 2 . . . . 25 LEU CD2 . 6757 1
300 . 1 1 26 26 GLY H H 1 7.78 0.01 . 1 . . . . 26 GLY H . 6757 1
301 . 1 1 26 26 GLY HA2 H 1 3.97 0.01 . 1 . . . . 26 GLY HA2 . 6757 1
302 . 1 1 26 26 GLY HA3 H 1 3.97 0.01 . 1 . . . . 26 GLY HA3 . 6757 1
303 . 1 1 26 26 GLY CA C 13 46.81 0.05 . 1 . . . . 26 GLY CA . 6757 1
304 . 1 1 27 27 TRP H H 1 7.75 0.01 . 1 . . . . 27 TRP H . 6757 1
305 . 1 1 27 27 TRP HA H 1 4.75 0.01 . 1 . . . . 27 TRP HA . 6757 1
306 . 1 1 27 27 TRP HB2 H 1 3.34 0.01 . 1 . . . . 27 TRP HB2 . 6757 1
307 . 1 1 27 27 TRP HB3 H 1 3.34 0.01 . 1 . . . . 27 TRP HB3 . 6757 1
308 . 1 1 27 27 TRP HD1 H 1 7.21 0.01 . 1 . . . . 27 TRP HD1 . 6757 1
309 . 1 1 27 27 TRP HE1 H 1 9.72 0.01 . 1 . . . . 27 TRP HE1 . 6757 1
310 . 1 1 27 27 TRP HE3 H 1 7.63 0.01 . 1 . . . . 27 TRP HE3 . 6757 1
311 . 1 1 27 27 TRP HZ2 H 1 7.47 0.01 . 1 . . . . 27 TRP HZ2 . 6757 1
312 . 1 1 27 27 TRP HZ3 H 1 7.23 0.01 . 1 . . . . 27 TRP HZ3 . 6757 1
313 . 1 1 27 27 TRP HH2 H 1 7.15 0.01 . 1 . . . . 27 TRP HH2 . 6757 1
314 . 1 1 27 27 TRP CB C 13 30.73 0.05 . 1 . . . . 27 TRP CB . 6757 1
315 . 1 1 27 27 TRP CD1 C 13 127.37 0.05 . 1 . . . . 27 TRP CD1 . 6757 1
316 . 1 1 27 27 TRP CE3 C 13 121.67 0.05 . 1 . . . . 27 TRP CE3 . 6757 1
317 . 1 1 27 27 TRP CZ2 C 13 115.26 0.05 . 1 . . . . 27 TRP CZ2 . 6757 1
318 . 1 1 27 27 TRP CZ3 C 13 125.37 0.05 . 1 . . . . 27 TRP CZ3 . 6757 1
319 . 1 1 27 27 TRP CH2 C 13 122.74 0.05 . 1 . . . . 27 TRP CH2 . 6757 1
320 . 1 1 28 28 ALA H H 1 7.75 0.01 . 1 . . . . 28 ALA H . 6757 1
321 . 1 1 28 28 ALA HA H 1 4.33 0.01 . 1 . . . . 28 ALA HA . 6757 1
322 . 1 1 28 28 ALA HB1 H 1 1.36 0.01 . 1 . . . . 28 ALA HB . 6757 1
323 . 1 1 28 28 ALA HB2 H 1 1.36 0.01 . 1 . . . . 28 ALA HB . 6757 1
324 . 1 1 28 28 ALA HB3 H 1 1.36 0.01 . 1 . . . . 28 ALA HB . 6757 1
325 . 1 1 28 28 ALA CA C 13 52.70 0.05 . 1 . . . . 28 ALA CA . 6757 1
326 . 1 1 28 28 ALA CB C 13 19.79 0.05 . 1 . . . . 28 ALA CB . 6757 1
stop_
save_