Content for NMR-STAR saveframe, "chemical_shifts_in_SDS_100_mM"
save_chemical_shifts_in_SDS_100_mM
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shifts_in_SDS_100_mM
_Assigned_chem_shift_list.Entry_ID 6757
_Assigned_chem_shift_list.ID 2
_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
4 'TOCSY in SDS 100 mM' 2 $SDS_100_mM isotropic 6757 2
5 '1H_13C_HSQC in SDS 100 mM' 2 $SDS_100_mM isotropic 6757 2
6 'NOESY in SDS 100 mM' 2 $SDS_100_mM isotropic 6757 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 $Sparky_3.110 . . 6757 2
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 4.33 0.01 . 1 . . . . 1 SER HA . 6757 2
2 . 1 1 1 1 SER HB2 H 1 4.05 0.01 . 1 . . . . 1 SER HB2 . 6757 2
3 . 1 1 1 1 SER HB3 H 1 4.05 0.01 . 1 . . . . 1 SER HB3 . 6757 2
4 . 1 1 1 1 SER CB C 13 63.51 0.05 . 1 . . . . 1 SER CB . 6757 2
5 . 1 1 2 2 GLY H H 1 8.73 0.01 . 1 . . . . 2 GLY H . 6757 2
6 . 1 1 2 2 GLY HA2 H 1 3.95 0.01 . 1 . . . . 2 GLY HA2 . 6757 2
7 . 1 1 2 2 GLY HA3 H 1 3.95 0.01 . 1 . . . . 2 GLY HA3 . 6757 2
8 . 1 1 2 2 GLY CA C 13 46.37 0.05 . 1 . . . . 2 GLY CA . 6757 2
9 . 1 1 3 3 ASN H H 1 8.22 0.01 . 1 . . . . 3 ASN H . 6757 2
10 . 1 1 3 3 ASN HA H 1 4.69 0.01 . 1 . . . . 3 ASN HA . 6757 2
11 . 1 1 3 3 ASN HB2 H 1 2.80 0.01 . 2 . . . . 3 ASN HB2 . 6757 2
12 . 1 1 3 3 ASN HB3 H 1 2.87 0.01 . 2 . . . . 3 ASN HB3 . 6757 2
13 . 1 1 3 3 ASN HD21 H 1 6.64 0.01 . 2 . . . . 3 ASN HD21 . 6757 2
14 . 1 1 3 3 ASN HD22 H 1 7.46 0.01 . 2 . . . . 3 ASN HD22 . 6757 2
15 . 1 1 3 3 ASN CB C 13 38.90 0.05 . 1 . . . . 3 ASN CB . 6757 2
16 . 1 1 4 4 TYR H H 1 8.09 0.01 . 1 . . . . 4 TYR H . 6757 2
17 . 1 1 4 4 TYR HA H 1 4.27 0.01 . 1 . . . . 4 TYR HA . 6757 2
18 . 1 1 4 4 TYR HB2 H 1 3.04 0.02 . 2 . . . . 4 TYR HB2 . 6757 2
19 . 1 1 4 4 TYR HB3 H 1 3.21 0.01 . 2 . . . . 4 TYR HB3 . 6757 2
20 . 1 1 4 4 TYR HD1 H 1 7.15 0.01 . 1 . . . . 4 TYR HD1 . 6757 2
21 . 1 1 4 4 TYR HD2 H 1 7.15 0.01 . 1 . . . . 4 TYR HD2 . 6757 2
22 . 1 1 4 4 TYR HE1 H 1 6.83 0.02 . 1 . . . . 4 TYR HE1 . 6757 2
23 . 1 1 4 4 TYR HE2 H 1 6.83 0.02 . 1 . . . . 4 TYR HE2 . 6757 2
24 . 1 1 4 4 TYR CB C 13 38.97 0.03 . 1 . . . . 4 TYR CB . 6757 2
25 . 1 1 4 4 TYR CE1 C 13 118.76 0.05 . 1 . . . . 4 TYR CE1 . 6757 2
26 . 1 1 4 4 TYR CE2 C 13 118.76 0.05 . 1 . . . . 4 TYR CE2 . 6757 2
27 . 1 1 5 5 VAL H H 1 8.12 0.01 . 1 . . . . 5 VAL H . 6757 2
28 . 1 1 5 5 VAL HA H 1 3.53 0.01 . 1 . . . . 5 VAL HA . 6757 2
29 . 1 1 5 5 VAL HB H 1 2.24 0.01 . 1 . . . . 5 VAL HB . 6757 2
30 . 1 1 5 5 VAL HG11 H 1 1.12 0.01 . 1 . . . . 5 VAL HG1 . 6757 2
31 . 1 1 5 5 VAL HG12 H 1 1.12 0.01 . 1 . . . . 5 VAL HG1 . 6757 2
32 . 1 1 5 5 VAL HG13 H 1 1.12 0.01 . 1 . . . . 5 VAL HG1 . 6757 2
33 . 1 1 5 5 VAL HG21 H 1 0.94 0.01 . 1 . . . . 5 VAL HG2 . 6757 2
34 . 1 1 5 5 VAL HG22 H 1 0.94 0.01 . 1 . . . . 5 VAL HG2 . 6757 2
35 . 1 1 5 5 VAL HG23 H 1 0.94 0.01 . 1 . . . . 5 VAL HG2 . 6757 2
36 . 1 1 5 5 VAL CA C 13 67.15 0.05 . 1 . . . . 5 VAL CA . 6757 2
37 . 1 1 5 5 VAL CB C 13 31.46 0.05 . 1 . . . . 5 VAL CB . 6757 2
38 . 1 1 5 5 VAL CG1 C 13 23.84 0.05 . 2 . . . . 5 VAL CG1 . 6757 2
39 . 1 1 5 5 VAL CG2 C 13 21.98 0.05 . 2 . . . . 5 VAL CG2 . 6757 2
40 . 1 1 6 6 LEU H H 1 7.86 0.01 . 1 . . . . 6 LEU H . 6757 2
41 . 1 1 6 6 LEU HA H 1 3.90 0.01 . 1 . . . . 6 LEU HA . 6757 2
42 . 1 1 6 6 LEU HB2 H 1 1.49 0.01 . 2 . . . . 6 LEU HB2 . 6757 2
43 . 1 1 6 6 LEU HB3 H 1 1.65 0.01 . 2 . . . . 6 LEU HB3 . 6757 2
44 . 1 1 6 6 LEU HG H 1 1.66 0.01 . 1 . . . . 6 LEU HG . 6757 2
45 . 1 1 6 6 LEU HD11 H 1 0.92 0.01 . 1 . . . . 6 LEU HD1 . 6757 2
46 . 1 1 6 6 LEU HD12 H 1 0.92 0.01 . 1 . . . . 6 LEU HD1 . 6757 2
47 . 1 1 6 6 LEU HD13 H 1 0.92 0.01 . 1 . . . . 6 LEU HD1 . 6757 2
48 . 1 1 6 6 LEU HD21 H 1 0.86 0.01 . 1 . . . . 6 LEU HD2 . 6757 2
49 . 1 1 6 6 LEU HD22 H 1 0.86 0.01 . 1 . . . . 6 LEU HD2 . 6757 2
50 . 1 1 6 6 LEU HD23 H 1 0.86 0.01 . 1 . . . . 6 LEU HD2 . 6757 2
51 . 1 1 6 6 LEU CA C 13 58.55 0.05 . 1 . . . . 6 LEU CA . 6757 2
52 . 1 1 6 6 LEU CB C 13 41.51 0.03 . 1 . . . . 6 LEU CB . 6757 2
53 . 1 1 6 6 LEU CG C 13 27.50 0.05 . 1 . . . . 6 LEU CG . 6757 2
54 . 1 1 6 6 LEU CD1 C 13 25.26 0.05 . 2 . . . . 6 LEU CD1 . 6757 2
55 . 1 1 6 6 LEU CD2 C 13 24.13 0.05 . 2 . . . . 6 LEU CD2 . 6757 2
56 . 1 1 7 7 ASP H H 1 8.20 0.01 . 1 . . . . 7 ASP H . 6757 2
57 . 1 1 7 7 ASP HA H 1 4.44 0.01 . 1 . . . . 7 ASP HA . 6757 2
58 . 1 1 7 7 ASP HB2 H 1 2.91 0.01 . 2 . . . . 7 ASP HB2 . 6757 2
59 . 1 1 7 7 ASP HB3 H 1 3.05 0.02 . 2 . . . . 7 ASP HB3 . 6757 2
60 . 1 1 7 7 ASP CA C 13 56.91 0.05 . 1 . . . . 7 ASP CA . 6757 2
61 . 1 1 7 7 ASP CB C 13 37.85 0.05 . 1 . . . . 7 ASP CB . 6757 2
62 . 1 1 8 8 LEU H H 1 7.98 0.01 . 1 . . . . 8 LEU H . 6757 2
63 . 1 1 8 8 LEU HA H 1 4.12 0.01 . 1 . . . . 8 LEU HA . 6757 2
64 . 1 1 8 8 LEU HB2 H 1 1.77 0.01 . 1 . . . . 8 LEU HB2 . 6757 2
65 . 1 1 8 8 LEU HB3 H 1 1.77 0.01 . 1 . . . . 8 LEU HB3 . 6757 2
66 . 1 1 8 8 LEU HG H 1 1.60 0.01 . 1 . . . . 8 LEU HG . 6757 2
67 . 1 1 8 8 LEU HD11 H 1 0.89 0.01 . 1 . . . . 8 LEU HD1 . 6757 2
68 . 1 1 8 8 LEU HD12 H 1 0.89 0.01 . 1 . . . . 8 LEU HD1 . 6757 2
69 . 1 1 8 8 LEU HD13 H 1 0.89 0.01 . 1 . . . . 8 LEU HD1 . 6757 2
70 . 1 1 8 8 LEU HD21 H 1 0.89 0.01 . 1 . . . . 8 LEU HD2 . 6757 2
71 . 1 1 8 8 LEU HD22 H 1 0.89 0.01 . 1 . . . . 8 LEU HD2 . 6757 2
72 . 1 1 8 8 LEU HD23 H 1 0.89 0.01 . 1 . . . . 8 LEU HD2 . 6757 2
73 . 1 1 8 8 LEU CA C 13 58.61 0.05 . 1 . . . . 8 LEU CA . 6757 2
74 . 1 1 8 8 LEU CB C 13 42.27 0.05 . 1 . . . . 8 LEU CB . 6757 2
75 . 1 1 8 8 LEU CG C 13 27.34 0.05 . 1 . . . . 8 LEU CG . 6757 2
76 . 1 1 8 8 LEU CD1 C 13 25.73 0.05 . 1 . . . . 8 LEU CD1 . 6757 2
77 . 1 1 8 8 LEU CD2 C 13 25.73 0.05 . 1 . . . . 8 LEU CD2 . 6757 2
78 . 1 1 9 9 ILE H H 1 8.28 0.01 . 1 . . . . 9 ILE H . 6757 2
79 . 1 1 9 9 ILE HA H 1 3.60 0.01 . 1 . . . . 9 ILE HA . 6757 2
80 . 1 1 9 9 ILE HB H 1 2.01 0.01 . 1 . . . . 9 ILE HB . 6757 2
81 . 1 1 9 9 ILE HG12 H 1 1.11 0.01 . 2 . . . . 9 ILE HG12 . 6757 2
82 . 1 1 9 9 ILE HG13 H 1 1.83 0.01 . 2 . . . . 9 ILE HG13 . 6757 2
83 . 1 1 9 9 ILE HG21 H 1 0.89 0.01 . 1 . . . . 9 ILE HG2 . 6757 2
84 . 1 1 9 9 ILE HG22 H 1 0.89 0.01 . 1 . . . . 9 ILE HG2 . 6757 2
85 . 1 1 9 9 ILE HG23 H 1 0.89 0.01 . 1 . . . . 9 ILE HG2 . 6757 2
86 . 1 1 9 9 ILE HD11 H 1 0.81 0.01 . 1 . . . . 9 ILE HD1 . 6757 2
87 . 1 1 9 9 ILE HD12 H 1 0.81 0.01 . 1 . . . . 9 ILE HD1 . 6757 2
88 . 1 1 9 9 ILE HD13 H 1 0.81 0.01 . 1 . . . . 9 ILE HD1 . 6757 2
89 . 1 1 9 9 ILE CA C 13 65.90 0.05 . 1 . . . . 9 ILE CA . 6757 2
90 . 1 1 9 9 ILE CB C 13 37.86 0.05 . 1 . . . . 9 ILE CB . 6757 2
91 . 1 1 9 9 ILE CG1 C 13 29.47 0.04 . 1 . . . . 9 ILE CG1 . 6757 2
92 . 1 1 9 9 ILE CG2 C 13 17.90 0.05 . 1 . . . . 9 ILE CG2 . 6757 2
93 . 1 1 9 9 ILE CD1 C 13 13.76 0.05 . 1 . . . . 9 ILE CD1 . 6757 2
94 . 1 1 10 10 TYR H H 1 8.57 0.01 . 1 . . . . 10 TYR H . 6757 2
95 . 1 1 10 10 TYR HA H 1 4.29 0.01 . 1 . . . . 10 TYR HA . 6757 2
96 . 1 1 10 10 TYR HB2 H 1 3.20 0.01 . 1 . . . . 10 TYR HB2 . 6757 2
97 . 1 1 10 10 TYR HB3 H 1 3.20 0.01 . 1 . . . . 10 TYR HB3 . 6757 2
98 . 1 1 10 10 TYR HD1 H 1 7.13 0.01 . 1 . . . . 10 TYR HD1 . 6757 2
99 . 1 1 10 10 TYR HD2 H 1 7.13 0.01 . 1 . . . . 10 TYR HD2 . 6757 2
100 . 1 1 10 10 TYR HE1 H 1 6.81 0.01 . 1 . . . . 10 TYR HE1 . 6757 2
101 . 1 1 10 10 TYR HE2 H 1 6.81 0.01 . 1 . . . . 10 TYR HE2 . 6757 2
102 . 1 1 10 10 TYR CA C 13 58.71 0.05 . 1 . . . . 10 TYR CA . 6757 2
103 . 1 1 10 10 TYR CB C 13 38.31 0.05 . 1 . . . . 10 TYR CB . 6757 2
104 . 1 1 10 10 TYR CD1 C 13 133.12 0.05 . 1 . . . . 10 TYR CD1 . 6757 2
105 . 1 1 10 10 TYR CD2 C 13 133.12 0.05 . 1 . . . . 10 TYR CD2 . 6757 2
106 . 1 1 10 10 TYR CE1 C 13 118.59 0.05 . 1 . . . . 10 TYR CE1 . 6757 2
107 . 1 1 10 10 TYR CE2 C 13 118.59 0.05 . 1 . . . . 10 TYR CE2 . 6757 2
108 . 1 1 11 11 SER H H 1 8.26 0.01 . 1 . . . . 11 SER H . 6757 2
109 . 1 1 11 11 SER HA H 1 4.21 0.01 . 1 . . . . 11 SER HA . 6757 2
110 . 1 1 11 11 SER HB2 H 1 4.05 0.01 . 2 . . . . 11 SER HB2 . 6757 2
111 . 1 1 11 11 SER HB3 H 1 4.12 0.01 . 2 . . . . 11 SER HB3 . 6757 2
112 . 1 1 11 11 SER CA C 13 63.59 0.03 . 1 . . . . 11 SER CA . 6757 2
113 . 1 1 12 12 LEU H H 1 8.23 0.01 . 1 . . . . 12 LEU H . 6757 2
114 . 1 1 12 12 LEU HA H 1 4.23 0.01 . 1 . . . . 12 LEU HA . 6757 2
115 . 1 1 12 12 LEU HB2 H 1 1.59 0.01 . 2 . . . . 12 LEU HB2 . 6757 2
116 . 1 1 12 12 LEU HB3 H 1 1.90 0.01 . 2 . . . . 12 LEU HB3 . 6757 2
117 . 1 1 12 12 LEU HG H 1 1.87 0.01 . 1 . . . . 12 LEU HG . 6757 2
118 . 1 1 12 12 LEU HD11 H 1 0.89 0.01 . 1 . . . . 12 LEU HD1 . 6757 2
119 . 1 1 12 12 LEU HD12 H 1 0.89 0.01 . 1 . . . . 12 LEU HD1 . 6757 2
120 . 1 1 12 12 LEU HD13 H 1 0.89 0.01 . 1 . . . . 12 LEU HD1 . 6757 2
121 . 1 1 12 12 LEU HD21 H 1 0.89 0.01 . 1 . . . . 12 LEU HD2 . 6757 2
122 . 1 1 12 12 LEU HD22 H 1 0.89 0.01 . 1 . . . . 12 LEU HD2 . 6757 2
123 . 1 1 12 12 LEU HD23 H 1 0.89 0.01 . 1 . . . . 12 LEU HD2 . 6757 2
124 . 1 1 12 12 LEU CA C 13 57.38 0.05 . 1 . . . . 12 LEU CA . 6757 2
125 . 1 1 12 12 LEU CB C 13 42.37 0.05 . 1 . . . . 12 LEU CB . 6757 2
126 . 1 1 12 12 LEU CG C 13 27.08 0.05 . 1 . . . . 12 LEU CG . 6757 2
127 . 1 1 12 12 LEU CD1 C 13 23.49 0.05 . 1 . . . . 12 LEU CD1 . 6757 2
128 . 1 1 12 12 LEU CD2 C 13 23.49 0.05 . 1 . . . . 12 LEU CD2 . 6757 2
129 . 1 1 13 13 HIS H H 1 8.27 0.01 . 1 . . . . 13 HIS H . 6757 2
130 . 1 1 13 13 HIS HA H 1 4.46 0.01 . 1 . . . . 13 HIS HA . 6757 2
131 . 1 1 13 13 HIS HB2 H 1 3.25 0.02 . 2 . . . . 13 HIS HB2 . 6757 2
132 . 1 1 13 13 HIS HB3 H 1 3.46 0.01 . 2 . . . . 13 HIS HB3 . 6757 2
133 . 1 1 13 13 HIS HD2 H 1 7.32 0.01 . 1 . . . . 13 HIS HD2 . 6757 2
134 . 1 1 13 13 HIS HE1 H 1 8.69 0.01 . 1 . . . . 13 HIS HE1 . 6757 2
135 . 1 1 13 13 HIS HE2 H 1 7.29 0.01 . 1 . . . . 13 HIS HE2 . 6757 2
136 . 1 1 13 13 HIS CA C 13 56.51 0.05 . 1 . . . . 13 HIS CA . 6757 2
137 . 1 1 13 13 HIS CB C 13 38.58 0.05 . 1 . . . . 13 HIS CB . 6757 2
138 . 1 1 13 13 HIS CD2 C 13 120.90 0.05 . 1 . . . . 13 HIS CD2 . 6757 2
139 . 1 1 14 14 LYS H H 1 7.90 0.01 . 1 . . . . 14 LYS H . 6757 2
140 . 1 1 14 14 LYS HA H 1 4.01 0.01 . 1 . . . . 14 LYS HA . 6757 2
141 . 1 1 14 14 LYS HB2 H 1 1.80 0.01 . 1 . . . . 14 LYS HB2 . 6757 2
142 . 1 1 14 14 LYS HB3 H 1 1.80 0.01 . 1 . . . . 14 LYS HB3 . 6757 2
143 . 1 1 14 14 LYS HG2 H 1 1.32 0.01 . 1 . . . . 14 LYS HG2 . 6757 2
144 . 1 1 14 14 LYS HG3 H 1 1.32 0.01 . 1 . . . . 14 LYS HG3 . 6757 2
145 . 1 1 14 14 LYS HD2 H 1 1.63 0.01 . 1 . . . . 14 LYS HD2 . 6757 2
146 . 1 1 14 14 LYS HD3 H 1 1.63 0.01 . 1 . . . . 14 LYS HD3 . 6757 2
147 . 1 1 14 14 LYS HE2 H 1 2.97 0.02 . 1 . . . . 14 LYS HE2 . 6757 2
148 . 1 1 14 14 LYS HE3 H 1 2.97 0.02 . 1 . . . . 14 LYS HE3 . 6757 2
149 . 1 1 14 14 LYS HZ1 H 1 7.49 0.01 . 1 . . . . 14 LYS HZ . 6757 2
150 . 1 1 14 14 LYS HZ2 H 1 7.49 0.01 . 1 . . . . 14 LYS HZ . 6757 2
151 . 1 1 14 14 LYS HZ3 H 1 7.49 0.01 . 1 . . . . 14 LYS HZ . 6757 2
152 . 1 1 14 14 LYS CA C 13 58.99 0.05 . 1 . . . . 14 LYS CA . 6757 2
153 . 1 1 14 14 LYS CB C 13 32.62 0.05 . 1 . . . . 14 LYS CB . 6757 2
154 . 1 1 14 14 LYS CG C 13 25.14 0.05 . 1 . . . . 14 LYS CG . 6757 2
155 . 1 1 14 14 LYS CD C 13 29.26 0.05 . 1 . . . . 14 LYS CD . 6757 2
156 . 1 1 14 14 LYS CE C 13 42.52 0.05 . 1 . . . . 14 LYS CE . 6757 2
157 . 1 1 15 15 GLN H H 1 7.93 0.01 . 1 . . . . 15 GLN H . 6757 2
158 . 1 1 15 15 GLN HA H 1 4.27 0.01 . 1 . . . . 15 GLN HA . 6757 2
159 . 1 1 15 15 GLN HB2 H 1 2.10 0.04 . 2 . . . . 15 GLN HB2 . 6757 2
160 . 1 1 15 15 GLN HB3 H 1 2.14 0.03 . 2 . . . . 15 GLN HB3 . 6757 2
161 . 1 1 15 15 GLN HG2 H 1 2.39 0.01 . 2 . . . . 15 GLN HG2 . 6757 2
162 . 1 1 15 15 GLN HG3 H 1 2.44 0.01 . 2 . . . . 15 GLN HG3 . 6757 2
163 . 1 1 15 15 GLN HE21 H 1 7.34 0.01 . 2 . . . . 15 GLN HE21 . 6757 2
164 . 1 1 15 15 GLN HE22 H 1 6.73 0.01 . 2 . . . . 15 GLN HE22 . 6757 2
165 . 1 1 15 15 GLN CA C 13 57.35 0.05 . 1 . . . . 15 GLN CA . 6757 2
166 . 1 1 15 15 GLN CB C 13 29.64 0.03 . 1 . . . . 15 GLN CB . 6757 2
167 . 1 1 15 15 GLN CG C 13 34.07 0.01 . 1 . . . . 15 GLN CG . 6757 2
168 . 1 1 16 16 ILE H H 1 7.95 0.01 . 1 . . . . 16 ILE H . 6757 2
169 . 1 1 16 16 ILE HA H 1 4.03 0.01 . 1 . . . . 16 ILE HA . 6757 2
170 . 1 1 16 16 ILE HB H 1 1.95 0.01 . 1 . . . . 16 ILE HB . 6757 2
171 . 1 1 16 16 ILE HG12 H 1 1.16 0.01 . 2 . . . . 16 ILE HG12 . 6757 2
172 . 1 1 16 16 ILE HG13 H 1 1.63 0.01 . 2 . . . . 16 ILE HG13 . 6757 2
173 . 1 1 16 16 ILE HG21 H 1 0.95 0.01 . 1 . . . . 16 ILE HG2 . 6757 2
174 . 1 1 16 16 ILE HG22 H 1 0.95 0.01 . 1 . . . . 16 ILE HG2 . 6757 2
175 . 1 1 16 16 ILE HG23 H 1 0.95 0.01 . 1 . . . . 16 ILE HG2 . 6757 2
176 . 1 1 16 16 ILE HD11 H 1 0.88 0.02 . 1 . . . . 16 ILE HD1 . 6757 2
177 . 1 1 16 16 ILE HD12 H 1 0.88 0.02 . 1 . . . . 16 ILE HD1 . 6757 2
178 . 1 1 16 16 ILE HD13 H 1 0.88 0.02 . 1 . . . . 16 ILE HD1 . 6757 2
179 . 1 1 16 16 ILE CA C 13 63.43 0.05 . 1 . . . . 16 ILE CA . 6757 2
180 . 1 1 16 16 ILE CB C 13 38.75 0.05 . 1 . . . . 16 ILE CB . 6757 2
181 . 1 1 16 16 ILE CG1 C 13 28.27 0.05 . 1 . . . . 16 ILE CG1 . 6757 2
182 . 1 1 16 16 ILE CG2 C 13 17.93 0.05 . 1 . . . . 16 ILE CG2 . 6757 2
183 . 1 1 16 16 ILE CD1 C 13 13.77 0.05 . 1 . . . . 16 ILE CD1 . 6757 2
184 . 1 1 17 17 ASN H H 1 8.19 0.01 . 1 . . . . 17 ASN H . 6757 2
185 . 1 1 17 17 ASN HA H 1 4.63 0.01 . 1 . . . . 17 ASN HA . 6757 2
186 . 1 1 17 17 ASN HB2 H 1 2.71 0.01 . 2 . . . . 17 ASN HB2 . 6757 2
187 . 1 1 17 17 ASN HB3 H 1 2.86 0.01 . 2 . . . . 17 ASN HB3 . 6757 2
188 . 1 1 17 17 ASN HD21 H 1 6.70 0.01 . 2 . . . . 17 ASN HD21 . 6757 2
189 . 1 1 17 17 ASN HD22 H 1 7.49 0.01 . 2 . . . . 17 ASN HD22 . 6757 2
190 . 1 1 17 17 ASN CB C 13 39.15 0.05 . 1 . . . . 17 ASN CB . 6757 2
191 . 1 1 18 18 ARG H H 1 8.10 0.01 . 1 . . . . 18 ARG H . 6757 2
192 . 1 1 18 18 ARG HA H 1 4.33 0.01 . 1 . . . . 18 ARG HA . 6757 2
193 . 1 1 18 18 ARG HB2 H 1 1.84 0.01 . 2 . . . . 18 ARG HB2 . 6757 2
194 . 1 1 18 18 ARG HB3 H 1 2.00 0.01 . 2 . . . . 18 ARG HB3 . 6757 2
195 . 1 1 18 18 ARG HG2 H 1 1.68 0.01 . 2 . . . . 18 ARG HG3 . 6757 2
196 . 1 1 18 18 ARG HG3 H 1 1.74 0.01 . 2 . . . . 18 ARG HG3 . 6757 2
197 . 1 1 18 18 ARG HD2 H 1 3.21 0.01 . 1 . . . . 18 ARG HD2 . 6757 2
198 . 1 1 18 18 ARG HD3 H 1 3.21 0.01 . 1 . . . . 18 ARG HD3 . 6757 2
199 . 1 1 18 18 ARG HE H 1 7.19 0.01 . 1 . . . . 18 ARG HE . 6757 2
200 . 1 1 18 18 ARG CA C 13 57.00 0.05 . 1 . . . . 18 ARG CA . 6757 2
201 . 1 1 18 18 ARG CB C 13 31.02 0.05 . 1 . . . . 18 ARG CB . 6757 2
202 . 1 1 18 18 ARG CG C 13 27.46 0.06 . 1 . . . . 18 ARG CG . 6757 2
203 . 1 1 18 18 ARG CD C 13 43.73 0.05 . 1 . . . . 18 ARG CD . 6757 2
204 . 1 1 19 19 GLY H H 1 8.22 0.01 . 1 . . . . 19 GLY H . 6757 2
205 . 1 1 19 19 GLY HA2 H 1 4.09 0.01 . 1 . . . . 19 GLY HA2 . 6757 2
206 . 1 1 19 19 GLY HA3 H 1 4.09 0.01 . 1 . . . . 19 GLY HA3 . 6757 2
207 . 1 1 19 19 GLY CA C 13 46.51 0.05 . 1 . . . . 19 GLY CA . 6757 2
208 . 1 1 20 20 LEU H H 1 8.26 0.01 . 1 . . . . 20 LEU H . 6757 2
209 . 1 1 20 20 LEU HA H 1 4.08 0.01 . 1 . . . . 20 LEU HA . 6757 2
210 . 1 1 20 20 LEU HB2 H 1 1.56 0.01 . 2 . . . . 20 LEU HB2 . 6757 2
211 . 1 1 20 20 LEU HB3 H 1 1.84 0.01 . 2 . . . . 20 LEU HB3 . 6757 2
212 . 1 1 20 20 LEU HD11 H 1 0.94 0.01 . 1 . . . . 20 LEU HD1 . 6757 2
213 . 1 1 20 20 LEU HD12 H 1 0.94 0.01 . 1 . . . . 20 LEU HD1 . 6757 2
214 . 1 1 20 20 LEU HD13 H 1 0.94 0.01 . 1 . . . . 20 LEU HD1 . 6757 2
215 . 1 1 20 20 LEU HD21 H 1 0.86 0.01 . 1 . . . . 20 LEU HD2 . 6757 2
216 . 1 1 20 20 LEU HD22 H 1 0.86 0.01 . 1 . . . . 20 LEU HD2 . 6757 2
217 . 1 1 20 20 LEU HD23 H 1 0.86 0.01 . 1 . . . . 20 LEU HD2 . 6757 2
218 . 1 1 20 20 LEU CA C 13 57.96 0.05 . 1 . . . . 20 LEU CA . 6757 2
219 . 1 1 20 20 LEU CB C 13 42.27 0.02 . 1 . . . . 20 LEU CB . 6757 2
220 . 1 1 20 20 LEU CD1 C 13 25.47 0.05 . 2 . . . . 20 LEU CD1 . 6757 2
221 . 1 1 20 20 LEU CD2 C 13 23.93 0.05 . 2 . . . . 20 LEU CD2 . 6757 2
222 . 1 1 21 21 LYS H H 1 8.23 0.01 . 1 . . . . 21 LYS H . 6757 2
223 . 1 1 21 21 LYS HA H 1 3.86 0.01 . 1 . . . . 21 LYS HA . 6757 2
224 . 1 1 21 21 LYS HB2 H 1 1.87 0.01 . 1 . . . . 21 LYS HB2 . 6757 2
225 . 1 1 21 21 LYS HB3 H 1 1.87 0.01 . 1 . . . . 21 LYS HB3 . 6757 2
226 . 1 1 21 21 LYS HG2 H 1 1.37 0.01 . 2 . . . . 21 LYS HG3 . 6757 2
227 . 1 1 21 21 LYS HG3 H 1 1.49 0.01 . 2 . . . . 21 LYS HG3 . 6757 2
228 . 1 1 21 21 LYS HD2 H 1 1.74 0.01 . 1 . . . . 21 LYS HD2 . 6757 2
229 . 1 1 21 21 LYS HD3 H 1 1.74 0.01 . 1 . . . . 21 LYS HD3 . 6757 2
230 . 1 1 21 21 LYS HE2 H 1 2.98 0.01 . 1 . . . . 21 LYS HE2 . 6757 2
231 . 1 1 21 21 LYS HE3 H 1 2.98 0.01 . 1 . . . . 21 LYS HE3 . 6757 2
232 . 1 1 21 21 LYS HZ1 H 1 7.49 0.01 . 1 . . . . 21 LYS HZ . 6757 2
233 . 1 1 21 21 LYS HZ2 H 1 7.49 0.01 . 1 . . . . 21 LYS HZ . 6757 2
234 . 1 1 21 21 LYS HZ3 H 1 7.49 0.01 . 1 . . . . 21 LYS HZ . 6757 2
235 . 1 1 21 21 LYS CA C 13 60.36 0.05 . 1 . . . . 21 LYS CA . 6757 2
236 . 1 1 21 21 LYS CB C 13 32.54 0.05 . 1 . . . . 21 LYS CB . 6757 2
237 . 1 1 21 21 LYS CG C 13 25.52 0.01 . 1 . . . . 21 LYS CG . 6757 2
238 . 1 1 21 21 LYS CD C 13 29.92 0.05 . 1 . . . . 21 LYS CD . 6757 2
239 . 1 1 21 21 LYS CE C 13 42.52 0.05 . 1 . . . . 21 LYS CE . 6757 2
240 . 1 1 22 22 LYS H H 1 7.58 0.01 . 1 . . . . 22 LYS H . 6757 2
241 . 1 1 22 22 LYS HA H 1 4.01 0.01 . 1 . . . . 22 LYS HA . 6757 2
242 . 1 1 22 22 LYS HB2 H 1 1.90 0.01 . 1 . . . . 22 LYS HB2 . 6757 2
243 . 1 1 22 22 LYS HB3 H 1 1.90 0.01 . 1 . . . . 22 LYS HB3 . 6757 2
244 . 1 1 22 22 LYS HG2 H 1 1.44 0.01 . 2 . . . . 22 LYS HG3 . 6757 2
245 . 1 1 22 22 LYS HG3 H 1 1.50 0.01 . 2 . . . . 22 LYS HG3 . 6757 2
246 . 1 1 22 22 LYS HD2 H 1 1.70 0.01 . 1 . . . . 22 LYS HD2 . 6757 2
247 . 1 1 22 22 LYS HD3 H 1 1.70 0.01 . 1 . . . . 22 LYS HD3 . 6757 2
248 . 1 1 22 22 LYS HE2 H 1 3.00 0.01 . 1 . . . . 22 LYS HE2 . 6757 2
249 . 1 1 22 22 LYS HE3 H 1 3.00 0.01 . 1 . . . . 22 LYS HE3 . 6757 2
250 . 1 1 22 22 LYS HZ1 H 1 7.47 0.01 . 1 . . . . 22 LYS HZ . 6757 2
251 . 1 1 22 22 LYS HZ2 H 1 7.47 0.01 . 1 . . . . 22 LYS HZ . 6757 2
252 . 1 1 22 22 LYS HZ3 H 1 7.47 0.01 . 1 . . . . 22 LYS HZ . 6757 2
253 . 1 1 22 22 LYS CA C 13 58.99 0.05 . 1 . . . . 22 LYS CA . 6757 2
254 . 1 1 22 22 LYS CB C 13 32.60 0.05 . 1 . . . . 22 LYS CB . 6757 2
255 . 1 1 22 22 LYS CG C 13 25.47 0.01 . 1 . . . . 22 LYS CG . 6757 2
256 . 1 1 22 22 LYS CD C 13 29.67 0.05 . 1 . . . . 22 LYS CD . 6757 2
257 . 1 1 22 22 LYS CE C 13 42.52 0.05 . 1 . . . . 22 LYS CE . 6757 2
258 . 1 1 23 23 ILE H H 1 7.63 0.01 . 1 . . . . 23 ILE H . 6757 2
259 . 1 1 23 23 ILE HA H 1 3.83 0.01 . 1 . . . . 23 ILE HA . 6757 2
260 . 1 1 23 23 ILE HB H 1 1.96 0.01 . 1 . . . . 23 ILE HB . 6757 2
261 . 1 1 23 23 ILE HG12 H 1 1.22 0.01 . 2 . . . . 23 ILE HG12 . 6757 2
262 . 1 1 23 23 ILE HG13 H 1 1.67 0.02 . 2 . . . . 23 ILE HG13 . 6757 2
263 . 1 1 23 23 ILE HG21 H 1 0.83 0.01 . 1 . . . . 23 ILE HG2 . 6757 2
264 . 1 1 23 23 ILE HG22 H 1 0.83 0.01 . 1 . . . . 23 ILE HG2 . 6757 2
265 . 1 1 23 23 ILE HG23 H 1 0.83 0.01 . 1 . . . . 23 ILE HG2 . 6757 2
266 . 1 1 23 23 ILE HD11 H 1 0.87 0.01 . 1 . . . . 23 ILE HD1 . 6757 2
267 . 1 1 23 23 ILE HD12 H 1 0.87 0.01 . 1 . . . . 23 ILE HD1 . 6757 2
268 . 1 1 23 23 ILE HD13 H 1 0.87 0.01 . 1 . . . . 23 ILE HD1 . 6757 2
269 . 1 1 23 23 ILE CA C 13 64.21 0.05 . 1 . . . . 23 ILE CA . 6757 2
270 . 1 1 23 23 ILE CB C 13 38.75 0.05 . 1 . . . . 23 ILE CB . 6757 2
271 . 1 1 23 23 ILE CG1 C 13 28.76 0.01 . 1 . . . . 23 ILE CG1 . 6757 2
272 . 1 1 23 23 ILE CG2 C 13 17.56 0.05 . 1 . . . . 23 ILE CG2 . 6757 2
273 . 1 1 23 23 ILE CD1 C 13 13.77 0.05 . 1 . . . . 23 ILE CD1 . 6757 2
274 . 1 1 24 24 VAL H H 1 7.92 0.01 . 1 . . . . 24 VAL H . 6757 2
275 . 1 1 24 24 VAL HA H 1 3.63 0.01 . 1 . . . . 24 VAL HA . 6757 2
276 . 1 1 24 24 VAL HB H 1 2.10 0.01 . 1 . . . . 24 VAL HB . 6757 2
277 . 1 1 24 24 VAL HG11 H 1 0.98 0.01 . 1 . . . . 24 VAL HG1 . 6757 2
278 . 1 1 24 24 VAL HG12 H 1 0.98 0.01 . 1 . . . . 24 VAL HG1 . 6757 2
279 . 1 1 24 24 VAL HG13 H 1 0.98 0.01 . 1 . . . . 24 VAL HG1 . 6757 2
280 . 1 1 24 24 VAL HG21 H 1 0.97 0.02 . 1 . . . . 24 VAL HG2 . 6757 2
281 . 1 1 24 24 VAL HG22 H 1 0.97 0.02 . 1 . . . . 24 VAL HG2 . 6757 2
282 . 1 1 24 24 VAL HG23 H 1 0.97 0.02 . 1 . . . . 24 VAL HG2 . 6757 2
283 . 1 1 24 24 VAL CA C 13 65.90 0.05 . 1 . . . . 24 VAL CA . 6757 2
284 . 1 1 24 24 VAL CB C 13 32.16 0.05 . 1 . . . . 24 VAL CB . 6757 2
285 . 1 1 24 24 VAL CG1 C 13 22.46 0.05 . 2 . . . . 24 VAL CG1 . 6757 2
286 . 1 1 24 24 VAL CG2 C 13 21.98 0.05 . 2 . . . . 24 VAL CG2 . 6757 2
287 . 1 1 25 25 LEU H H 1 8.07 0.01 . 1 . . . . 25 LEU H . 6757 2
288 . 1 1 25 25 LEU HA H 1 4.18 0.01 . 1 . . . . 25 LEU HA . 6757 2
289 . 1 1 25 25 LEU HB2 H 1 1.52 0.01 . 2 . . . . 25 LEU HB2 . 6757 2
290 . 1 1 25 25 LEU HB3 H 1 1.78 0.01 . 2 . . . . 25 LEU HB3 . 6757 2
291 . 1 1 25 25 LEU HG H 1 1.75 0.01 . 1 . . . . 25 LEU HG . 6757 2
292 . 1 1 25 25 LEU HD11 H 1 0.89 0.01 . 1 . . . . 25 LEU HD1 . 6757 2
293 . 1 1 25 25 LEU HD12 H 1 0.89 0.01 . 1 . . . . 25 LEU HD1 . 6757 2
294 . 1 1 25 25 LEU HD13 H 1 0.89 0.01 . 1 . . . . 25 LEU HD1 . 6757 2
295 . 1 1 25 25 LEU HD21 H 1 0.89 0.01 . 1 . . . . 25 LEU HD2 . 6757 2
296 . 1 1 25 25 LEU HD22 H 1 0.89 0.01 . 1 . . . . 25 LEU HD2 . 6757 2
297 . 1 1 25 25 LEU HD23 H 1 0.89 0.01 . 1 . . . . 25 LEU HD2 . 6757 2
298 . 1 1 25 25 LEU CA C 13 57.14 0.05 . 1 . . . . 25 LEU CA . 6757 2
299 . 1 1 25 25 LEU CB C 13 41.78 0.03 . 1 . . . . 25 LEU CB . 6757 2
300 . 1 1 25 25 LEU CG C 13 27.59 0.05 . 1 . . . . 25 LEU CG . 6757 2
301 . 1 1 25 25 LEU CD1 C 13 24.96 0.05 . 1 . . . . 25 LEU CD1 . 6757 2
302 . 1 1 25 25 LEU CD2 C 13 24.96 0.05 . 1 . . . . 25 LEU CD2 . 6757 2
303 . 1 1 26 26 GLY H H 1 7.76 0.01 . 1 . . . . 26 GLY H . 6757 2
304 . 1 1 26 26 GLY HA2 H 1 3.84 0.01 . 2 . . . . 26 GLY HA2 . 6757 2
305 . 1 1 26 26 GLY HA3 H 1 3.99 0.02 . 2 . . . . 26 GLY HA3 . 6757 2
306 . 1 1 26 26 GLY CA C 13 46.42 0.01 . 1 . . . . 26 GLY CA . 6757 2
307 . 1 1 27 27 TRP H H 1 7.68 0.01 . 1 . . . . 27 TRP H . 6757 2
308 . 1 1 27 27 TRP HA H 1 4.63 0.01 . 1 . . . . 27 TRP HA . 6757 2
309 . 1 1 27 27 TRP HB2 H 1 3.36 0.01 . 1 . . . . 27 TRP HB2 . 6757 2
310 . 1 1 27 27 TRP HB3 H 1 3.36 0.01 . 1 . . . . 27 TRP HB3 . 6757 2
311 . 1 1 27 27 TRP HD1 H 1 7.25 0.01 . 1 . . . . 27 TRP HD1 . 6757 2
312 . 1 1 27 27 TRP HE1 H 1 9.85 0.01 . 1 . . . . 27 TRP HE1 . 6757 2
313 . 1 1 27 27 TRP HE3 H 1 7.47 0.07 . 1 . . . . 27 TRP HE3 . 6757 2
314 . 1 1 27 27 TRP HZ2 H 1 7.48 0.09 . 1 . . . . 27 TRP HZ2 . 6757 2
315 . 1 1 27 27 TRP HZ3 H 1 6.99 0.01 . 1 . . . . 27 TRP HZ3 . 6757 2
316 . 1 1 27 27 TRP HH2 H 1 7.08 0.01 . 1 . . . . 27 TRP HH2 . 6757 2
317 . 1 1 27 27 TRP CB C 13 30.51 0.05 . 1 . . . . 27 TRP CB . 6757 2
318 . 1 1 27 27 TRP CD1 C 13 126.67 0.05 . 1 . . . . 27 TRP CD1 . 6757 2
319 . 1 1 27 27 TRP CE3 C 13 120.95 0.05 . 1 . . . . 27 TRP CE3 . 6757 2
320 . 1 1 27 27 TRP CZ2 C 13 114.71 0.05 . 1 . . . . 27 TRP CZ2 . 6757 2
321 . 1 1 27 27 TRP CZ3 C 13 121.69 0.05 . 1 . . . . 27 TRP CZ3 . 6757 2
322 . 1 1 27 27 TRP CH2 C 13 124.36 0.05 . 1 . . . . 27 TRP CH2 . 6757 2
323 . 1 1 28 28 ALA H H 1 7.84 0.01 . 1 . . . . 28 ALA H . 6757 2
324 . 1 1 28 28 ALA HA H 1 4.17 0.01 . 1 . . . . 28 ALA HA . 6757 2
325 . 1 1 28 28 ALA HB1 H 1 1.40 0.01 . 1 . . . . 28 ALA HB . 6757 2
326 . 1 1 28 28 ALA HB2 H 1 1.40 0.01 . 1 . . . . 28 ALA HB . 6757 2
327 . 1 1 28 28 ALA HB3 H 1 1.40 0.01 . 1 . . . . 28 ALA HB . 6757 2
328 . 1 1 28 28 ALA CA C 13 52.10 0.05 . 1 . . . . 28 ALA CA . 6757 2
329 . 1 1 28 28 ALA CB C 13 19.45 0.05 . 1 . . . . 28 ALA CB . 6757 2
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