Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 25959
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_303
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_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 1H-13C HSQC aliphatic' . . . 25959 1
2 '2D 1H-1H TOCSY' . . . 25959 1
3 '2D 1H-1H TOCSY' . . . 25959 1
4 '2D 1H-1H TOCSY' . . . 25959 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 ASP HA H 1 4.312 0.020 . 1 . . . A 1 ASP HA . 25959 1
2 . 1 1 1 1 ASP HB2 H 1 3.009 0.020 . 2 . . . A 1 ASP HB2 . 25959 1
3 . 1 1 1 1 ASP HB3 H 1 3.220 0.020 . 2 . . . A 1 ASP HB3 . 25959 1
4 . 1 1 1 1 ASP CA C 13 53.121 0.3 . 1 . . . A 1 ASP CA . 25959 1
5 . 1 1 1 1 ASP CB C 13 39.707 0.3 . 1 . . . A 1 ASP CB . 25959 1
6 . 1 1 2 2 ARG H H 1 8.868 0.020 . 1 . . . A 2 ARG H . 25959 1
7 . 1 1 2 2 ARG HA H 1 4.174 0.020 . 1 . . . A 2 ARG HA . 25959 1
8 . 1 1 2 2 ARG HB2 H 1 1.929 0.020 . 2 . . . A 2 ARG HB2 . 25959 1
9 . 1 1 2 2 ARG HB3 H 1 1.959 0.020 . 2 . . . A 2 ARG HB3 . 25959 1
10 . 1 1 2 2 ARG HG2 H 1 1.730 0.020 . 2 . . . A 2 ARG HG2 . 25959 1
11 . 1 1 2 2 ARG HG3 H 1 1.782 0.020 . 2 . . . A 2 ARG HG3 . 25959 1
12 . 1 1 2 2 ARG HD2 H 1 3.259 0.020 . 2 . . . A 2 ARG HD2 . 25959 1
13 . 1 1 2 2 ARG HD3 H 1 3.298 0.020 . 2 . . . A 2 ARG HD3 . 25959 1
14 . 1 1 2 2 ARG HE H 1 7.284 0.020 . 1 . . . A 2 ARG HE . 25959 1
15 . 1 1 2 2 ARG CA C 13 59.523 0.3 . 1 . . . A 2 ARG CA . 25959 1
16 . 1 1 2 2 ARG CB C 13 30.068 0.3 . 1 . . . A 2 ARG CB . 25959 1
17 . 1 1 2 2 ARG CG C 13 27.184 0.3 . 1 . . . A 2 ARG CG . 25959 1
18 . 1 1 2 2 ARG CD C 13 43.451 0.3 . 1 . . . A 2 ARG CD . 25959 1
19 . 1 1 3 3 TYR H H 1 8.358 0.020 . 1 . . . A 3 TYR H . 25959 1
20 . 1 1 3 3 TYR HA H 1 4.283 0.020 . 1 . . . A 3 TYR HA . 25959 1
21 . 1 1 3 3 TYR HB2 H 1 3.164 0.020 . 1 . . . A 3 TYR HB2 . 25959 1
22 . 1 1 3 3 TYR HB3 H 1 3.040 0.020 . 1 . . . A 3 TYR HB3 . 25959 1
23 . 1 1 3 3 TYR HD1 H 1 7.081 0.020 . 1 . . . A 3 TYR HD1 . 25959 1
24 . 1 1 3 3 TYR HD2 H 1 7.081 0.020 . 1 . . . A 3 TYR HD2 . 25959 1
25 . 1 1 3 3 TYR HE1 H 1 6.701 0.020 . 1 . . . A 3 TYR HE1 . 25959 1
26 . 1 1 3 3 TYR HE2 H 1 6.701 0.020 . 1 . . . A 3 TYR HE2 . 25959 1
27 . 1 1 3 3 TYR CA C 13 61.888 0.3 . 1 . . . A 3 TYR CA . 25959 1
28 . 1 1 3 3 TYR CB C 13 38.367 0.3 . 1 . . . A 3 TYR CB . 25959 1
29 . 1 1 4 4 GLN H H 1 8.314 0.020 . 1 . . . A 4 GLN H . 25959 1
30 . 1 1 4 4 GLN HA H 1 3.752 0.020 . 1 . . . A 4 GLN HA . 25959 1
31 . 1 1 4 4 GLN HB2 H 1 2.131 0.020 . 1 . . . A 4 GLN HB2 . 25959 1
32 . 1 1 4 4 GLN HB3 H 1 2.131 0.020 . 1 . . . A 4 GLN HB3 . 25959 1
33 . 1 1 4 4 GLN HG2 H 1 2.554 0.020 . 1 . . . A 4 GLN HG2 . 25959 1
34 . 1 1 4 4 GLN HG3 H 1 2.554 0.020 . 1 . . . A 4 GLN HG3 . 25959 1
35 . 1 1 4 4 GLN HE21 H 1 6.895 0.020 . 1 . . . A 4 GLN HE21 . 25959 1
36 . 1 1 4 4 GLN HE22 H 1 7.600 0.020 . 1 . . . A 4 GLN HE22 . 25959 1
37 . 1 1 4 4 GLN CA C 13 58.954 0.3 . 1 . . . A 4 GLN CA . 25959 1
38 . 1 1 4 4 GLN CB C 13 28.291 0.3 . 1 . . . A 4 GLN CB . 25959 1
39 . 1 1 4 4 GLN CG C 13 34.132 0.3 . 1 . . . A 4 GLN CG . 25959 1
40 . 1 1 5 5 ASP H H 1 8.148 0.020 . 1 . . . A 5 ASP H . 25959 1
41 . 1 1 5 5 ASP HA H 1 4.412 0.020 . 1 . . . A 5 ASP HA . 25959 1
42 . 1 1 5 5 ASP HB2 H 1 2.789 0.020 . 2 . . . A 5 ASP HB2 . 25959 1
43 . 1 1 5 5 ASP HB3 H 1 2.852 0.020 . 2 . . . A 5 ASP HB3 . 25959 1
44 . 1 1 5 5 ASP CA C 13 57.034 0.3 . 1 . . . A 5 ASP CA . 25959 1
45 . 1 1 5 5 ASP CB C 13 39.028 0.3 . 1 . . . A 5 ASP CB . 25959 1
46 . 1 1 6 6 CYS H H 1 8.207 0.020 . 1 . . . A 6 CYS H . 25959 1
47 . 1 1 6 6 CYS HA H 1 4.186 0.020 . 1 . . . A 6 CYS HA . 25959 1
48 . 1 1 6 6 CYS HB2 H 1 3.104 0.020 . 1 . . . A 6 CYS HB2 . 25959 1
49 . 1 1 6 6 CYS HB3 H 1 3.397 0.020 . 1 . . . A 6 CYS HB3 . 25959 1
50 . 1 1 6 6 CYS CA C 13 60.303 0.3 . 5 . . . A 6 CYS CA . 25959 1
51 . 1 1 6 6 CYS CB C 13 37.020 0.3 . 1 . . . A 6 CYS CB . 25959 1
52 . 1 1 7 7 LEU H H 1 8.427 0.020 . 1 . . . A 7 LEU H . 25959 1
53 . 1 1 7 7 LEU HA H 1 3.703 0.020 . 1 . . . A 7 LEU HA . 25959 1
54 . 1 1 7 7 LEU HB2 H 1 1.388 0.020 . 2 . . . A 7 LEU HB2 . 25959 1
55 . 1 1 7 7 LEU HB3 H 1 1.518 0.020 . 2 . . . A 7 LEU HB3 . 25959 1
56 . 1 1 7 7 LEU HG H 1 1.279 0.020 . 1 . . . A 7 LEU HG . 25959 1
57 . 1 1 7 7 LEU HD11 H 1 0.625 0.020 . 2 . . . A 7 LEU HD11 . 25959 1
58 . 1 1 7 7 LEU HD12 H 1 0.625 0.020 . 2 . . . A 7 LEU HD12 . 25959 1
59 . 1 1 7 7 LEU HD13 H 1 0.625 0.020 . 2 . . . A 7 LEU HD13 . 25959 1
60 . 1 1 7 7 LEU HD21 H 1 0.685 0.020 . 2 . . . A 7 LEU HD21 . 25959 1
61 . 1 1 7 7 LEU HD22 H 1 0.685 0.020 . 2 . . . A 7 LEU HD22 . 25959 1
62 . 1 1 7 7 LEU HD23 H 1 0.685 0.020 . 2 . . . A 7 LEU HD23 . 25959 1
63 . 1 1 7 7 LEU CA C 13 58.471 0.3 . 1 . . . A 7 LEU CA . 25959 1
64 . 1 1 7 7 LEU CB C 13 42.118 0.3 . 1 . . . A 7 LEU CB . 25959 1
65 . 1 1 7 7 LEU CG C 13 26.222 0.3 . 1 . . . A 7 LEU CG . 25959 1
66 . 1 1 7 7 LEU CD1 C 13 25.146 0.3 . 2 . . . A 7 LEU CD1 . 25959 1
67 . 1 1 7 7 LEU CD2 C 13 23.342 0.3 . 2 . . . A 7 LEU CD2 . 25959 1
68 . 1 1 8 8 SER H H 1 8.397 0.020 . 1 . . . A 8 SER H . 25959 1
69 . 1 1 8 8 SER HA H 1 4.207 0.020 . 1 . . . A 8 SER HA . 25959 1
70 . 1 1 8 8 SER HB2 H 1 4.027 0.020 . 1 . . . A 8 SER HB2 . 25959 1
71 . 1 1 8 8 SER HB3 H 1 4.027 0.020 . 1 . . . A 8 SER HB3 . 25959 1
72 . 1 1 8 8 SER CA C 13 61.942 0.3 . 1 . . . A 8 SER CA . 25959 1
73 . 1 1 8 8 SER CB C 13 62.941 0.3 . 1 . . . A 8 SER CB . 25959 1
74 . 1 1 9 9 GLU H H 1 8.121 0.020 . 1 . . . A 9 GLU H . 25959 1
75 . 1 1 9 9 GLU HA H 1 4.145 0.020 . 1 . . . A 9 GLU HA . 25959 1
76 . 1 1 9 9 GLU HB2 H 1 2.130 0.020 . 2 . . . A 9 GLU HB2 . 25959 1
77 . 1 1 9 9 GLU HB3 H 1 2.230 0.020 . 2 . . . A 9 GLU HB3 . 25959 1
78 . 1 1 9 9 GLU HG2 H 1 2.508 0.020 . 2 . . . A 9 GLU HG2 . 25959 1
79 . 1 1 9 9 GLU HG3 H 1 2.574 0.020 . 2 . . . A 9 GLU HG3 . 25959 1
80 . 1 1 9 9 GLU CA C 13 59.008 0.3 . 1 . . . A 9 GLU CA . 25959 1
81 . 1 1 9 9 GLU CB C 13 27.929 0.3 . 1 . . . A 9 GLU CB . 25959 1
82 . 1 1 9 9 GLU CG C 13 33.479 0.3 . 1 . . . A 9 GLU CG . 25959 1
83 . 1 1 10 10 CYS H H 1 8.396 0.020 . 1 . . . A 10 CYS H . 25959 1
84 . 1 1 10 10 CYS HA H 1 4.253 0.020 . 1 . . . A 10 CYS HA . 25959 1
85 . 1 1 10 10 CYS HB2 H 1 3.250 0.020 . 1 . . . A 10 CYS HB2 . 25959 1
86 . 1 1 10 10 CYS HB3 H 1 3.027 0.020 . 1 . . . A 10 CYS HB3 . 25959 1
87 . 1 1 10 10 CYS CA C 13 59.671 0.3 . 1 . . . A 10 CYS CA . 25959 1
88 . 1 1 10 10 CYS CB C 13 38.421 0.3 . 1 . . . A 10 CYS CB . 25959 1
89 . 1 1 11 11 ASN H H 1 8.710 0.020 . 1 . . . A 11 ASN H . 25959 1
90 . 1 1 11 11 ASN HA H 1 4.123 0.020 . 1 . . . A 11 ASN HA . 25959 1
91 . 1 1 11 11 ASN HB2 H 1 2.730 0.020 . 2 . . . A 11 ASN HB2 . 25959 1
92 . 1 1 11 11 ASN HB3 H 1 2.897 0.020 . 2 . . . A 11 ASN HB3 . 25959 1
93 . 1 1 11 11 ASN HD21 H 1 6.666 0.020 . 1 . . . A 11 ASN HD21 . 25959 1
94 . 1 1 11 11 ASN HD22 H 1 7.247 0.020 . 1 . . . A 11 ASN HD22 . 25959 1
95 . 1 1 11 11 ASN CA C 13 57.101 0.3 . 1 . . . A 11 ASN CA . 25959 1
96 . 1 1 11 11 ASN CB C 13 38.725 0.3 . 1 . . . A 11 ASN CB . 25959 1
97 . 1 1 12 12 SER H H 1 8.029 0.020 . 1 . . . A 12 SER H . 25959 1
98 . 1 1 12 12 SER HA H 1 4.211 0.020 . 1 . . . A 12 SER HA . 25959 1
99 . 1 1 12 12 SER HB2 H 1 4.042 0.020 . 1 . . . A 12 SER HB2 . 25959 1
100 . 1 1 12 12 SER HB3 H 1 4.042 0.020 . 1 . . . A 12 SER HB3 . 25959 1
101 . 1 1 12 12 SER CA C 13 61.961 0.3 . 1 . . . A 12 SER CA . 25959 1
102 . 1 1 12 12 SER CB C 13 62.948 0.3 . 1 . . . A 12 SER CB . 25959 1
103 . 1 1 13 13 ARG H H 1 7.955 0.020 . 1 . . . A 13 ARG H . 25959 1
104 . 1 1 13 13 ARG HA H 1 4.182 0.020 . 1 . . . A 13 ARG HA . 25959 1
105 . 1 1 13 13 ARG HB2 H 1 2.000 0.020 . 2 . . . A 13 ARG HB2 . 25959 1
106 . 1 1 13 13 ARG HB3 H 1 2.055 0.020 . 2 . . . A 13 ARG HB3 . 25959 1
107 . 1 1 13 13 ARG HG2 H 1 1.707 0.020 . 2 . . . A 13 ARG HG2 . 25959 1
108 . 1 1 13 13 ARG HG3 H 1 1.870 0.020 . 2 . . . A 13 ARG HG3 . 25959 1
109 . 1 1 13 13 ARG HD2 H 1 3.206 0.020 . 1 . . . A 13 ARG HD2 . 25959 1
110 . 1 1 13 13 ARG HD3 H 1 3.206 0.020 . 1 . . . A 13 ARG HD3 . 25959 1
111 . 1 1 13 13 ARG HE H 1 7.217 0.020 . 1 . . . A 13 ARG HE . 25959 1
112 . 1 1 13 13 ARG CA C 13 59.154 0.3 . 5 . . . A 13 ARG CA . 25959 1
113 . 1 1 13 13 ARG CB C 13 30.091 0.3 . 1 . . . A 13 ARG CB . 25959 1
114 . 1 1 13 13 ARG CG C 13 27.836 0.3 . 1 . . . A 13 ARG CG . 25959 1
115 . 1 1 13 13 ARG CD C 13 43.704 0.3 . 1 . . . A 13 ARG CD . 25959 1
116 . 1 1 14 14 CYS H H 1 7.926 0.020 . 1 . . . A 14 CYS H . 25959 1
117 . 1 1 14 14 CYS HA H 1 4.732 0.020 . 1 . . . A 14 CYS HA . 25959 1
118 . 1 1 14 14 CYS HB2 H 1 2.994 0.020 . 2 . . . A 14 CYS HB2 . 25959 1
119 . 1 1 14 14 CYS HB3 H 1 3.244 0.020 . 2 . . . A 14 CYS HB3 . 25959 1
120 . 1 1 14 14 CYS CB C 13 37.752 0.3 . 1 . . . A 14 CYS CB . 25959 1
121 . 1 1 15 15 THR H H 1 7.641 0.020 . 1 . . . A 15 THR H . 25959 1
122 . 1 1 15 15 THR HA H 1 4.117 0.020 . 1 . . . A 15 THR HA . 25959 1
123 . 1 1 15 15 THR HB H 1 4.249 0.020 . 1 . . . A 15 THR HB . 25959 1
124 . 1 1 15 15 THR HG21 H 1 1.273 0.020 . 1 . . . A 15 THR HG21 . 25959 1
125 . 1 1 15 15 THR HG22 H 1 1.273 0.020 . 1 . . . A 15 THR HG22 . 25959 1
126 . 1 1 15 15 THR HG23 H 1 1.273 0.020 . 1 . . . A 15 THR HG23 . 25959 1
127 . 1 1 15 15 THR CA C 13 64.667 0.3 . 1 . . . A 15 THR CA . 25959 1
128 . 1 1 15 15 THR CB C 13 69.599 0.3 . 1 . . . A 15 THR CB . 25959 1
129 . 1 1 15 15 THR CG2 C 13 21.706 0.3 . 1 . . . A 15 THR CG2 . 25959 1
130 . 1 1 16 16 TYR H H 1 7.370 0.020 . 1 . . . A 16 TYR H . 25959 1
131 . 1 1 16 16 TYR HA H 1 4.428 0.020 . 1 . . . A 16 TYR HA . 25959 1
132 . 1 1 16 16 TYR HB2 H 1 3.244 0.020 . 1 . . . A 16 TYR HB2 . 25959 1
133 . 1 1 16 16 TYR HB3 H 1 2.969 0.020 . 1 . . . A 16 TYR HB3 . 25959 1
134 . 1 1 16 16 TYR HD1 H 1 7.251 0.020 . 1 . . . A 16 TYR HD1 . 25959 1
135 . 1 1 16 16 TYR HD2 H 1 7.251 0.020 . 1 . . . A 16 TYR HD2 . 25959 1
136 . 1 1 16 16 TYR HE1 H 1 6.821 0.020 . 1 . . . A 16 TYR HE1 . 25959 1
137 . 1 1 16 16 TYR HE2 H 1 6.821 0.020 . 1 . . . A 16 TYR HE2 . 25959 1
138 . 1 1 16 16 TYR CA C 13 58.699 0.3 . 1 . . . A 16 TYR CA . 25959 1
139 . 1 1 16 16 TYR CB C 13 37.869 0.3 . 1 . . . A 16 TYR CB . 25959 1
140 . 1 1 17 17 ILE H H 1 7.385 0.020 . 1 . . . A 17 ILE H . 25959 1
141 . 1 1 17 17 ILE HA H 1 4.187 0.020 . 1 . . . A 17 ILE HA . 25959 1
142 . 1 1 17 17 ILE HB H 1 1.810 0.020 . 1 . . . A 17 ILE HB . 25959 1
143 . 1 1 17 17 ILE HG12 H 1 1.060 0.020 . 2 . . . A 17 ILE HG12 . 25959 1
144 . 1 1 17 17 ILE HG13 H 1 1.419 0.020 . 2 . . . A 17 ILE HG13 . 25959 1
145 . 1 1 17 17 ILE HG21 H 1 0.960 0.020 . 1 . . . A 17 ILE HG21 . 25959 1
146 . 1 1 17 17 ILE HG22 H 1 0.960 0.020 . 1 . . . A 17 ILE HG22 . 25959 1
147 . 1 1 17 17 ILE HG23 H 1 0.960 0.020 . 1 . . . A 17 ILE HG23 . 25959 1
148 . 1 1 17 17 ILE HD11 H 1 0.901 0.020 . 1 . . . A 17 ILE HD11 . 25959 1
149 . 1 1 17 17 ILE HD12 H 1 0.901 0.020 . 1 . . . A 17 ILE HD12 . 25959 1
150 . 1 1 17 17 ILE HD13 H 1 0.901 0.020 . 1 . . . A 17 ILE HD13 . 25959 1
151 . 1 1 17 17 ILE CA C 13 59.521 0.3 . 5 . . . A 17 ILE CA . 25959 1
152 . 1 1 17 17 ILE CB C 13 38.821 0.3 . 1 . . . A 17 ILE CB . 25959 1
153 . 1 1 17 17 ILE CG1 C 13 28.054 0.3 . 1 . . . A 17 ILE CG1 . 25959 1
154 . 1 1 17 17 ILE CG2 C 13 17.354 0.3 . 1 . . . A 17 ILE CG2 . 25959 1
155 . 1 1 17 17 ILE CD1 C 13 17.309 0.3 . 1 . . . A 17 ILE CD1 . 25959 1
156 . 1 1 18 18 PRO HA H 1 4.459 0.020 . 1 . . . A 18 PRO HA . 25959 1
157 . 1 1 18 18 PRO HB2 H 1 2.119 0.020 . 1 . . . A 18 PRO HB2 . 25959 1
158 . 1 1 18 18 PRO HB3 H 1 2.194 0.020 . 1 . . . A 18 PRO HB3 . 25959 1
159 . 1 1 18 18 PRO HG2 H 1 2.019 0.020 . 2 . . . A 18 PRO HG2 . 25959 1
160 . 1 1 18 18 PRO HG3 H 1 2.066 0.020 . 2 . . . A 18 PRO HG3 . 25959 1
161 . 1 1 18 18 PRO HD2 H 1 3.787 0.020 . 2 . . . A 18 PRO HD2 . 25959 1
162 . 1 1 18 18 PRO HD3 H 1 4.056 0.020 . 2 . . . A 18 PRO HD3 . 25959 1
163 . 1 1 18 18 PRO CA C 13 64.517 0.3 . 1 . . . A 18 PRO CA . 25959 1
164 . 1 1 18 18 PRO CB C 13 31.720 0.3 . 1 . . . A 18 PRO CB . 25959 1
165 . 1 1 18 18 PRO CG C 13 27.340 0.3 . 1 . . . A 18 PRO CG . 25959 1
166 . 1 1 18 18 PRO CD C 13 51.273 0.3 . 1 . . . A 18 PRO CD . 25959 1
167 . 1 1 19 19 ASP H H 1 7.527 0.020 . 1 . . . A 19 ASP H . 25959 1
168 . 1 1 19 19 ASP HA H 1 4.824 0.020 . 1 . . . A 19 ASP HA . 25959 1
169 . 1 1 19 19 ASP HB2 H 1 2.735 0.020 . 1 . . . A 19 ASP HB2 . 25959 1
170 . 1 1 19 19 ASP HB3 H 1 2.786 0.020 . 1 . . . A 19 ASP HB3 . 25959 1
171 . 1 1 19 19 ASP CB C 13 41.791 0.3 . 1 . . . A 19 ASP CB . 25959 1
172 . 1 1 20 20 TYR H H 1 8.858 0.020 . 1 . . . A 20 TYR H . 25959 1
173 . 1 1 20 20 TYR HA H 1 4.206 0.020 . 1 . . . A 20 TYR HA . 25959 1
174 . 1 1 20 20 TYR HB2 H 1 2.979 0.020 . 1 . . . A 20 TYR HB2 . 25959 1
175 . 1 1 20 20 TYR HB3 H 1 3.221 0.020 . 1 . . . A 20 TYR HB3 . 25959 1
176 . 1 1 20 20 TYR HD1 H 1 7.134 0.020 . 1 . . . A 20 TYR HD1 . 25959 1
177 . 1 1 20 20 TYR HD2 H 1 7.134 0.020 . 1 . . . A 20 TYR HD2 . 25959 1
178 . 1 1 20 20 TYR HE1 H 1 6.811 0.020 . 1 . . . A 20 TYR HE1 . 25959 1
179 . 1 1 20 20 TYR HE2 H 1 6.811 0.020 . 1 . . . A 20 TYR HE2 . 25959 1
180 . 1 1 20 20 TYR CA C 13 61.913 0.3 . 5 . . . A 20 TYR CA . 25959 1
181 . 1 1 20 20 TYR CB C 13 38.618 0.3 . 1 . . . A 20 TYR CB . 25959 1
182 . 1 1 21 21 ALA H H 1 8.669 0.020 . 1 . . . A 21 ALA H . 25959 1
183 . 1 1 21 21 ALA HA H 1 3.964 0.020 . 1 . . . A 21 ALA HA . 25959 1
184 . 1 1 21 21 ALA HB1 H 1 1.469 0.020 . 1 . . . A 21 ALA HB1 . 25959 1
185 . 1 1 21 21 ALA HB2 H 1 1.469 0.020 . 1 . . . A 21 ALA HB2 . 25959 1
186 . 1 1 21 21 ALA HB3 H 1 1.469 0.020 . 1 . . . A 21 ALA HB3 . 25959 1
187 . 1 1 21 21 ALA CA C 13 55.366 0.3 . 1 . . . A 21 ALA CA . 25959 1
188 . 1 1 21 21 ALA CB C 13 18.060 0.3 . 1 . . . A 21 ALA CB . 25959 1
189 . 1 1 22 22 GLY H H 1 8.106 0.020 . 1 . . . A 22 GLY H . 25959 1
190 . 1 1 22 22 GLY HA2 H 1 3.821 0.020 . 2 . . . A 22 GLY HA2 . 25959 1
191 . 1 1 22 22 GLY HA3 H 1 3.890 0.020 . 2 . . . A 22 GLY HA3 . 25959 1
192 . 1 1 22 22 GLY CA C 13 46.921 0.3 . 1 . . . A 22 GLY CA . 25959 1
193 . 1 1 23 23 MET H H 1 8.406 0.020 . 1 . . . A 23 MET H . 25959 1
194 . 1 1 23 23 MET HA H 1 3.983 0.020 . 1 . . . A 23 MET HA . 25959 1
195 . 1 1 23 23 MET HB2 H 1 2.146 0.020 . 2 . . . A 23 MET HB2 . 25959 1
196 . 1 1 23 23 MET HB3 H 1 2.238 0.020 . 2 . . . A 23 MET HB3 . 25959 1
197 . 1 1 23 23 MET HG2 H 1 2.691 0.020 . 1 . . . A 23 MET HG2 . 25959 1
198 . 1 1 23 23 MET HG3 H 1 2.236 0.020 . 1 . . . A 23 MET HG3 . 25959 1
199 . 1 1 23 23 MET HE1 H 1 2.005 0.020 . 1 . . . A 23 MET HE1 . 25959 1
200 . 1 1 23 23 MET HE2 H 1 2.005 0.020 . 1 . . . A 23 MET HE2 . 25959 1
201 . 1 1 23 23 MET HE3 H 1 2.005 0.020 . 1 . . . A 23 MET HE3 . 25959 1
202 . 1 1 23 23 MET CA C 13 60.246 0.3 . 1 . . . A 23 MET CA . 25959 1
203 . 1 1 23 23 MET CB C 13 31.953 0.3 . 1 . . . A 23 MET CB . 25959 1
204 . 1 1 23 23 MET CG C 13 31.363 0.3 . 1 . . . A 23 MET CG . 25959 1
205 . 1 1 23 23 MET CE C 13 17.362 0.3 . 1 . . . A 23 MET CE . 25959 1
206 . 1 1 24 24 ARG H H 1 8.411 0.020 . 1 . . . A 24 ARG H . 25959 1
207 . 1 1 24 24 ARG HA H 1 3.795 0.020 . 1 . . . A 24 ARG HA . 25959 1
208 . 1 1 24 24 ARG HB2 H 1 1.671 0.020 . 2 . . . A 24 ARG HB2 . 25959 1
209 . 1 1 24 24 ARG HB3 H 1 1.738 0.020 . 2 . . . A 24 ARG HB3 . 25959 1
210 . 1 1 24 24 ARG HG2 H 1 1.313 0.020 . 2 . . . A 24 ARG HG2 . 25959 1
211 . 1 1 24 24 ARG HG3 H 1 1.478 0.020 . 2 . . . A 24 ARG HG3 . 25959 1
212 . 1 1 24 24 ARG HD2 H 1 3.000 0.020 . 1 . . . A 24 ARG HD2 . 25959 1
213 . 1 1 24 24 ARG HD3 H 1 3.000 0.020 . 1 . . . A 24 ARG HD3 . 25959 1
214 . 1 1 24 24 ARG HE H 1 7.102 0.020 . 1 . . . A 24 ARG HE . 25959 1
215 . 1 1 24 24 ARG CA C 13 58.767 0.3 . 1 . . . A 24 ARG CA . 25959 1
216 . 1 1 24 24 ARG CB C 13 29.097 0.3 . 1 . . . A 24 ARG CB . 25959 1
217 . 1 1 24 24 ARG CG C 13 26.598 0.3 . 1 . . . A 24 ARG CG . 25959 1
218 . 1 1 24 24 ARG CD C 13 42.630 0.3 . 1 . . . A 24 ARG CD . 25959 1
219 . 1 1 25 25 ALA H H 1 8.004 0.020 . 1 . . . A 25 ALA H . 25959 1
220 . 1 1 25 25 ALA HA H 1 4.133 0.020 . 1 . . . A 25 ALA HA . 25959 1
221 . 1 1 25 25 ALA HB1 H 1 1.466 0.020 . 1 . . . A 25 ALA HB1 . 25959 1
222 . 1 1 25 25 ALA HB2 H 1 1.466 0.020 . 1 . . . A 25 ALA HB2 . 25959 1
223 . 1 1 25 25 ALA HB3 H 1 1.466 0.020 . 1 . . . A 25 ALA HB3 . 25959 1
224 . 1 1 25 25 ALA CA C 13 54.891 0.3 . 1 . . . A 25 ALA CA . 25959 1
225 . 1 1 25 25 ALA CB C 13 18.060 0.3 . 1 . . . A 25 ALA CB . 25959 1
226 . 1 1 26 26 CYS H H 1 7.761 0.020 . 1 . . . A 26 CYS H . 25959 1
227 . 1 1 26 26 CYS HA H 1 4.138 0.020 . 1 . . . A 26 CYS HA . 25959 1
228 . 1 1 26 26 CYS HB2 H 1 2.854 0.020 . 1 . . . A 26 CYS HB2 . 25959 1
229 . 1 1 26 26 CYS HB3 H 1 3.612 0.020 . 1 . . . A 26 CYS HB3 . 25959 1
230 . 1 1 26 26 CYS CA C 13 60.160 0.3 . 1 . . . A 26 CYS CA . 25959 1
231 . 1 1 26 26 CYS CB C 13 35.207 0.3 . 1 . . . A 26 CYS CB . 25959 1
232 . 1 1 27 27 ILE H H 1 8.363 0.020 . 1 . . . A 27 ILE H . 25959 1
233 . 1 1 27 27 ILE HA H 1 3.725 0.020 . 1 . . . A 27 ILE HA . 25959 1
234 . 1 1 27 27 ILE HB H 1 1.840 0.020 . 1 . . . A 27 ILE HB . 25959 1
235 . 1 1 27 27 ILE HG12 H 1 1.085 0.020 . 2 . . . A 27 ILE HG12 . 25959 1
236 . 1 1 27 27 ILE HG13 H 1 1.719 0.020 . 2 . . . A 27 ILE HG13 . 25959 1
237 . 1 1 27 27 ILE HG21 H 1 0.902 0.020 . 1 . . . A 27 ILE HG21 . 25959 1
238 . 1 1 27 27 ILE HG22 H 1 0.902 0.020 . 1 . . . A 27 ILE HG22 . 25959 1
239 . 1 1 27 27 ILE HG23 H 1 0.902 0.020 . 1 . . . A 27 ILE HG23 . 25959 1
240 . 1 1 27 27 ILE HD11 H 1 0.802 0.020 . 1 . . . A 27 ILE HD11 . 25959 1
241 . 1 1 27 27 ILE HD12 H 1 0.802 0.020 . 1 . . . A 27 ILE HD12 . 25959 1
242 . 1 1 27 27 ILE HD13 H 1 0.802 0.020 . 1 . . . A 27 ILE HD13 . 25959 1
243 . 1 1 27 27 ILE CA C 13 65.188 0.3 . 1 . . . A 27 ILE CA . 25959 1
244 . 1 1 27 27 ILE CB C 13 38.232 0.3 . 1 . . . A 27 ILE CB . 25959 1
245 . 1 1 27 27 ILE CG1 C 13 29.756 0.3 . 1 . . . A 27 ILE CG1 . 25959 1
246 . 1 1 27 27 ILE CG2 C 13 14.695 0.3 . 1 . . . A 27 ILE CG2 . 25959 1
247 . 1 1 27 27 ILE CD1 C 13 13.901 0.3 . 1 . . . A 27 ILE CD1 . 25959 1
248 . 1 1 28 28 GLY H H 1 8.037 0.020 . 1 . . . A 28 GLY H . 25959 1
249 . 1 1 28 28 GLY HA2 H 1 3.951 0.020 . 1 . . . A 28 GLY HA2 . 25959 1
250 . 1 1 28 28 GLY HA3 H 1 3.922 0.020 . 1 . . . A 28 GLY HA3 . 25959 1
251 . 1 1 28 28 GLY CA C 13 46.835 0.3 . 1 . . . A 28 GLY CA . 25959 1
252 . 1 1 29 29 LEU H H 1 7.457 0.020 . 1 . . . A 29 LEU H . 25959 1
253 . 1 1 29 29 LEU HA H 1 4.380 0.020 . 1 . . . A 29 LEU HA . 25959 1
254 . 1 1 29 29 LEU HB2 H 1 1.637 0.020 . 1 . . . A 29 LEU HB2 . 25959 1
255 . 1 1 29 29 LEU HB3 H 1 1.923 0.020 . 1 . . . A 29 LEU HB3 . 25959 1
256 . 1 1 29 29 LEU HG H 1 1.832 0.020 . 1 . . . A 29 LEU HG . 25959 1
257 . 1 1 29 29 LEU HD11 H 1 0.890 0.020 . 2 . . . A 29 LEU HD11 . 25959 1
258 . 1 1 29 29 LEU HD12 H 1 0.890 0.020 . 2 . . . A 29 LEU HD12 . 25959 1
259 . 1 1 29 29 LEU HD13 H 1 0.890 0.020 . 2 . . . A 29 LEU HD13 . 25959 1
260 . 1 1 29 29 LEU HD21 H 1 0.914 0.020 . 2 . . . A 29 LEU HD21 . 25959 1
261 . 1 1 29 29 LEU HD22 H 1 0.914 0.020 . 2 . . . A 29 LEU HD22 . 25959 1
262 . 1 1 29 29 LEU HD23 H 1 0.914 0.020 . 2 . . . A 29 LEU HD23 . 25959 1
263 . 1 1 29 29 LEU CA C 13 55.833 0.3 . 1 . . . A 29 LEU CA . 25959 1
264 . 1 1 29 29 LEU CB C 13 42.688 0.3 . 1 . . . A 29 LEU CB . 25959 1
265 . 1 1 29 29 LEU CG C 13 26.864 0.3 . 1 . . . A 29 LEU CG . 25959 1
266 . 1 1 29 29 LEU CD1 C 13 22.932 0.3 . 2 . . . A 29 LEU CD1 . 25959 1
267 . 1 1 29 29 LEU CD2 C 13 25.469 0.3 . 2 . . . A 29 LEU CD2 . 25959 1
268 . 1 1 30 30 CYS H H 1 7.869 0.020 . 1 . . . A 30 CYS H . 25959 1
269 . 1 1 30 30 CYS HA H 1 4.497 0.020 . 1 . . . A 30 CYS HA . 25959 1
270 . 1 1 30 30 CYS HB2 H 1 2.857 0.020 . 1 . . . A 30 CYS HB2 . 25959 1
271 . 1 1 30 30 CYS HB3 H 1 3.215 0.020 . 1 . . . A 30 CYS HB3 . 25959 1
272 . 1 1 30 30 CYS CA C 13 57.852 0.3 . 1 . . . A 30 CYS CA . 25959 1
273 . 1 1 30 30 CYS CB C 13 38.468 0.3 . 1 . . . A 30 CYS CB . 25959 1
274 . 1 1 31 31 ALA H H 1 8.506 0.020 . 1 . . . A 31 ALA H . 25959 1
275 . 1 1 31 31 ALA HA H 1 4.259 0.020 . 1 . . . A 31 ALA HA . 25959 1
276 . 1 1 31 31 ALA HB1 H 1 1.507 0.020 . 1 . . . A 31 ALA HB1 . 25959 1
277 . 1 1 31 31 ALA HB2 H 1 1.507 0.020 . 1 . . . A 31 ALA HB2 . 25959 1
278 . 1 1 31 31 ALA HB3 H 1 1.507 0.020 . 1 . . . A 31 ALA HB3 . 25959 1
279 . 1 1 31 31 ALA CA C 13 57.288 0.3 . 1 . . . A 31 ALA CA . 25959 1
280 . 1 1 31 31 ALA CB C 13 15.569 0.3 . 1 . . . A 31 ALA CB . 25959 1
281 . 1 1 32 32 PRO HA H 1 4.374 0.020 . 1 . . . A 32 PRO HA . 25959 1
282 . 1 1 32 32 PRO HB2 H 1 1.929 0.020 . 1 . . . A 32 PRO HB2 . 25959 1
283 . 1 1 32 32 PRO HB3 H 1 2.346 0.020 . 1 . . . A 32 PRO HB3 . 25959 1
284 . 1 1 32 32 PRO HG2 H 1 2.232 0.020 . 1 . . . A 32 PRO HG2 . 25959 1
285 . 1 1 32 32 PRO HG3 H 1 2.066 0.020 . 1 . . . A 32 PRO HG3 . 25959 1
286 . 1 1 32 32 PRO HD2 H 1 3.740 0.020 . 1 . . . A 32 PRO HD2 . 25959 1
287 . 1 1 32 32 PRO HD3 H 1 3.693 0.020 . 1 . . . A 32 PRO HD3 . 25959 1
288 . 1 1 32 32 PRO CA C 13 66.018 0.3 . 1 . . . A 32 PRO CA . 25959 1
289 . 1 1 32 32 PRO CB C 13 30.645 0.3 . 1 . . . A 32 PRO CB . 25959 1
290 . 1 1 32 32 PRO CG C 13 28.264 0.3 . 1 . . . A 32 PRO CG . 25959 1
291 . 1 1 32 32 PRO CD C 13 50.347 0.3 . 1 . . . A 32 PRO CD . 25959 1
292 . 1 1 33 33 ALA H H 1 7.427 0.020 . 1 . . . A 33 ALA H . 25959 1
293 . 1 1 33 33 ALA HA H 1 4.241 0.020 . 1 . . . A 33 ALA HA . 25959 1
294 . 1 1 33 33 ALA HB1 H 1 1.558 0.020 . 1 . . . A 33 ALA HB1 . 25959 1
295 . 1 1 33 33 ALA HB2 H 1 1.558 0.020 . 1 . . . A 33 ALA HB2 . 25959 1
296 . 1 1 33 33 ALA HB3 H 1 1.558 0.020 . 1 . . . A 33 ALA HB3 . 25959 1
297 . 1 1 33 33 ALA CA C 13 54.851 0.3 . 1 . . . A 33 ALA CA . 25959 1
298 . 1 1 33 33 ALA CB C 13 18.667 0.3 . 1 . . . A 33 ALA CB . 25959 1
299 . 1 1 34 34 CYS H H 1 8.137 0.020 . 1 . . . A 34 CYS H . 25959 1
300 . 1 1 34 34 CYS HA H 1 4.797 0.020 . 1 . . . A 34 CYS HA . 25959 1
301 . 1 1 34 34 CYS HB2 H 1 2.961 0.020 . 1 . . . A 34 CYS HB2 . 25959 1
302 . 1 1 34 34 CYS HB3 H 1 3.129 0.020 . 1 . . . A 34 CYS HB3 . 25959 1
303 . 1 1 34 34 CYS CB C 13 39.519 0.3 . 1 . . . A 34 CYS CB . 25959 1
304 . 1 1 35 35 LEU H H 1 7.968 0.020 . 1 . . . A 35 LEU H . 25959 1
305 . 1 1 35 35 LEU HA H 1 4.299 0.020 . 1 . . . A 35 LEU HA . 25959 1
306 . 1 1 35 35 LEU HB2 H 1 1.729 0.020 . 2 . . . A 35 LEU HB2 . 25959 1
307 . 1 1 35 35 LEU HB3 H 1 1.911 0.020 . 2 . . . A 35 LEU HB3 . 25959 1
308 . 1 1 35 35 LEU HG H 1 1.850 0.020 . 1 . . . A 35 LEU HG . 25959 1
309 . 1 1 35 35 LEU HD11 H 1 0.825 0.020 . 2 . . . A 35 LEU HD11 . 25959 1
310 . 1 1 35 35 LEU HD12 H 1 0.825 0.020 . 2 . . . A 35 LEU HD12 . 25959 1
311 . 1 1 35 35 LEU HD13 H 1 0.825 0.020 . 2 . . . A 35 LEU HD13 . 25959 1
312 . 1 1 35 35 LEU HD21 H 1 0.909 0.020 . 2 . . . A 35 LEU HD21 . 25959 1
313 . 1 1 35 35 LEU HD22 H 1 0.909 0.020 . 2 . . . A 35 LEU HD22 . 25959 1
314 . 1 1 35 35 LEU HD23 H 1 0.909 0.020 . 2 . . . A 35 LEU HD23 . 25959 1
315 . 1 1 35 35 LEU CA C 13 57.660 0.3 . 1 . . . A 35 LEU CA . 25959 1
316 . 1 1 35 35 LEU CB C 13 42.671 0.3 . 1 . . . A 35 LEU CB . 25959 1
317 . 1 1 35 35 LEU CG C 13 26.964 0.3 . 1 . . . A 35 LEU CG . 25959 1
318 . 1 1 35 35 LEU CD1 C 13 23.971 0.3 . 2 . . . A 35 LEU CD1 . 25959 1
319 . 1 1 35 35 LEU CD2 C 13 24.856 0.3 . 2 . . . A 35 LEU CD2 . 25959 1
320 . 1 1 36 36 THR H H 1 7.771 0.020 . 1 . . . A 36 THR H . 25959 1
321 . 1 1 36 36 THR HA H 1 4.372 0.020 . 1 . . . A 36 THR HA . 25959 1
322 . 1 1 36 36 THR HB H 1 4.416 0.020 . 1 . . . A 36 THR HB . 25959 1
323 . 1 1 36 36 THR HG21 H 1 1.286 0.020 . 1 . . . A 36 THR HG21 . 25959 1
324 . 1 1 36 36 THR HG22 H 1 1.286 0.020 . 1 . . . A 36 THR HG22 . 25959 1
325 . 1 1 36 36 THR HG23 H 1 1.286 0.020 . 1 . . . A 36 THR HG23 . 25959 1
326 . 1 1 36 36 THR CA C 13 62.615 0.3 . 1 . . . A 36 THR CA . 25959 1
327 . 1 1 36 36 THR CB C 13 69.567 0.3 . 1 . . . A 36 THR CB . 25959 1
328 . 1 1 36 36 THR CG2 C 13 21.849 0.3 . 1 . . . A 36 THR CG2 . 25959 1
329 . 1 1 37 37 SER H H 1 7.987 0.020 . 1 . . . A 37 SER H . 25959 1
330 . 1 1 37 37 SER HA H 1 4.535 0.020 . 1 . . . A 37 SER HA . 25959 1
331 . 1 1 37 37 SER HB2 H 1 3.949 0.020 . 2 . . . A 37 SER HB2 . 25959 1
332 . 1 1 37 37 SER HB3 H 1 4.006 0.020 . 2 . . . A 37 SER HB3 . 25959 1
333 . 1 1 37 37 SER CA C 13 58.861 0.3 . 1 . . . A 37 SER CA . 25959 1
334 . 1 1 37 37 SER CB C 13 64.134 0.3 . 1 . . . A 37 SER CB . 25959 1
335 . 1 1 38 38 ARG H H 1 7.854 0.020 . 1 . . . A 38 ARG H . 25959 1
336 . 1 1 38 38 ARG HA H 1 4.211 0.020 . 1 . . . A 38 ARG HA . 25959 1
337 . 1 1 38 38 ARG HB2 H 1 1.733 0.020 . 2 . . . A 38 ARG HB2 . 25959 1
338 . 1 1 38 38 ARG HB3 H 1 1.876 0.020 . 2 . . . A 38 ARG HB3 . 25959 1
339 . 1 1 38 38 ARG HG2 H 1 1.574 0.020 . 1 . . . A 38 ARG HG2 . 25959 1
340 . 1 1 38 38 ARG HG3 H 1 1.574 0.020 . 1 . . . A 38 ARG HG3 . 25959 1
341 . 1 1 38 38 ARG HD2 H 1 3.076 0.020 . 1 . . . A 38 ARG HD2 . 25959 1
342 . 1 1 38 38 ARG HD3 H 1 3.076 0.020 . 1 . . . A 38 ARG HD3 . 25959 1
343 . 1 1 38 38 ARG HE H 1 7.066 0.020 . 1 . . . A 38 ARG HE . 25959 1
344 . 1 1 38 38 ARG CA C 13 57.264 0.3 . 5 . . . A 38 ARG CA . 25959 1
345 . 1 1 38 38 ARG CB C 13 31.332 0.3 . 1 . . . A 38 ARG CB . 25959 1
346 . 1 1 38 38 ARG CG C 13 27.397 0.3 . 1 . . . A 38 ARG CG . 25959 1
347 . 1 1 38 38 ARG CD C 13 43.672 0.3 . 1 . . . A 38 ARG CD . 25959 1
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