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 18783
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $ABU8-2_conditions_1
_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 DQF-COSY' . . . 18783 1
2 '2D 1H-1H TOCSY' . . . 18783 1
3 '2D 1H-1H NOESY' . . . 18783 1
4 '2D 1H-13C HSQC' . . . 18783 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 PCA CA C 13 58.397 0.000 . 1 . . . . 1 PCA CA . 18783 1
2 . 1 1 1 1 PCA CB C 13 28.108 0.005 . 1 . . . . 1 PCA CB . 18783 1
3 . 1 1 1 1 PCA CG C 13 31.820 0.000 . 1 . . . . 1 PCA CG . 18783 1
4 . 1 1 1 1 PCA H H 1 7.689 0.001 . 1 . . . . 1 PCA H . 18783 1
5 . 1 1 1 1 PCA HA H 1 4.022 0.003 . 1 . . . . 1 PCA HA . 18783 1
6 . 1 1 1 1 PCA HB2 H 1 2.258 0.003 . 2 . . . . 1 PCA HB2 . 18783 1
7 . 1 1 1 1 PCA HB3 H 1 1.942 0.004 . 2 . . . . 1 PCA HB3 . 18783 1
8 . 1 1 1 1 PCA HG2 H 1 2.189 0.000 . 2 . . . . 1 PCA HG2 . 18783 1
9 . 1 1 1 1 PCA HG3 H 1 2.033 0.006 . 2 . . . . 1 PCA HG3 . 18783 1
10 . 1 1 2 2 GLY H H 1 8.102 0.007 . 1 . . . . 2 GLY H . 18783 1
11 . 1 1 2 2 GLY HA2 H 1 3.820 0.003 . 2 . . . . 2 GLY HA2 . 18783 1
12 . 1 1 2 2 GLY HA3 H 1 3.619 0.003 . 2 . . . . 2 GLY HA3 . 18783 1
13 . 1 1 2 2 GLY CA C 13 44.824 0.000 . 1 . . . . 2 GLY CA . 18783 1
14 . 1 1 3 3 CYS H H 1 7.424 0.002 . 1 . . . . 3 CYS H . 18783 1
15 . 1 1 3 3 CYS HA H 1 4.524 0.001 . 1 . . . . 3 CYS HA . 18783 1
16 . 1 1 3 3 CYS HB2 H 1 2.858 0.003 . 1 . . . . 3 CYS HB2 . 18783 1
17 . 1 1 3 3 CYS HB3 H 1 2.858 0.003 . 1 . . . . 3 CYS HB3 . 18783 1
18 . 1 1 3 3 CYS CA C 13 53.061 0.000 . 1 . . . . 3 CYS CA . 18783 1
19 . 1 1 3 3 CYS CB C 13 43.713 0.000 . 1 . . . . 3 CYS CB . 18783 1
20 . 1 1 4 4 ALA H H 1 8.691 0.001 . 1 . . . . 4 ALA H . 18783 1
21 . 1 1 4 4 ALA HA H 1 4.245 0.003 . 1 . . . . 4 ALA HA . 18783 1
22 . 1 1 4 4 ALA HB1 H 1 1.154 0.003 . 1 . . . . 4 ALA HB1 . 18783 1
23 . 1 1 4 4 ALA HB2 H 1 1.154 0.003 . 1 . . . . 4 ALA HB2 . 18783 1
24 . 1 1 4 4 ALA HB3 H 1 1.154 0.003 . 1 . . . . 4 ALA HB3 . 18783 1
25 . 1 1 4 4 ALA CA C 13 50.669 0.000 . 1 . . . . 4 ALA CA . 18783 1
26 . 1 1 4 4 ALA CB C 13 21.598 0.000 . 1 . . . . 4 ALA CB . 18783 1
27 . 1 1 5 5 PHE HA H 1 4.551 0.003 . 1 . . . . 5 PHE HA . 18783 1
28 . 1 1 5 5 PHE HB2 H 1 3.336 0.002 . 2 . . . . 5 PHE HB2 . 18783 1
29 . 1 1 5 5 PHE HB3 H 1 2.620 0.002 . 2 . . . . 5 PHE HB3 . 18783 1
30 . 1 1 5 5 PHE HD1 H 1 7.096 0.000 . 3 . . . . 5 PHE HD1 . 18783 1
31 . 1 1 5 5 PHE HD2 H 1 7.096 0.000 . 3 . . . . 5 PHE HD2 . 18783 1
32 . 1 1 5 5 PHE HE1 H 1 7.110 0.000 . 3 . . . . 5 PHE HE1 . 18783 1
33 . 1 1 5 5 PHE HE2 H 1 7.110 0.000 . 3 . . . . 5 PHE HE2 . 18783 1
34 . 1 1 5 5 PHE HZ H 1 7.158 0.009 . 1 . . . . 5 PHE HZ . 18783 1
35 . 1 1 5 5 PHE CA C 13 53.409 0.000 . 1 . . . . 5 PHE CA . 18783 1
36 . 1 1 5 5 PHE CB C 13 39.896 0.000 . 1 . . . . 5 PHE CB . 18783 1
37 . 1 1 5 5 PHE CD1 C 13 130.498 0.000 . 3 . . . . 5 PHE CD1 . 18783 1
38 . 1 1 5 5 PHE CD2 C 13 130.498 0.000 . 3 . . . . 5 PHE CD2 . 18783 1
39 . 1 1 5 5 PHE CE1 C 13 128.428 0.000 . 3 . . . . 5 PHE CE1 . 18783 1
40 . 1 1 5 5 PHE CE2 C 13 128.428 0.000 . 3 . . . . 5 PHE CE2 . 18783 1
41 . 1 1 5 5 PHE CZ C 13 131.847 0.000 . 1 . . . . 5 PHE CZ . 18783 1
42 . 1 1 6 6 GLU H H 1 8.221 0.002 . 1 . . . . 6 GLU H . 18783 1
43 . 1 1 6 6 GLU HA H 1 3.340 0.003 . 1 . . . . 6 GLU HA . 18783 1
44 . 1 1 6 6 GLU HB2 H 1 1.833 0.004 . 2 . . . . 6 GLU HB2 . 18783 1
45 . 1 1 6 6 GLU HB3 H 1 1.722 0.006 . 2 . . . . 6 GLU HB3 . 18783 1
46 . 1 1 6 6 GLU HG2 H 1 2.123 0.004 . 1 . . . . 6 GLU HG2 . 18783 1
47 . 1 1 6 6 GLU HG3 H 1 2.123 0.004 . 1 . . . . 6 GLU HG3 . 18783 1
48 . 1 1 6 6 GLU CA C 13 57.472 0.000 . 1 . . . . 6 GLU CA . 18783 1
49 . 1 1 6 6 GLU CB C 13 29.012 0.000 . 1 . . . . 6 GLU CB . 18783 1
50 . 1 1 6 6 GLU CG C 13 32.698 0.000 . 1 . . . . 6 GLU CG . 18783 1
51 . 1 1 7 7 GLY H H 1 8.717 0.001 . 1 . . . . 7 GLY H . 18783 1
52 . 1 1 7 7 GLY HA2 H 1 3.843 0.002 . 2 . . . . 7 GLY HA2 . 18783 1
53 . 1 1 7 7 GLY HA3 H 1 3.034 0.004 . 2 . . . . 7 GLY HA3 . 18783 1
54 . 1 1 7 7 GLY CA C 13 45.431 0.004 . 1 . . . . 7 GLY CA . 18783 1
55 . 1 1 8 8 GLU H H 1 7.304 0.002 . 1 . . . . 8 GLU H . 18783 1
56 . 1 1 8 8 GLU HA H 1 4.316 0.005 . 1 . . . . 8 GLU HA . 18783 1
57 . 1 1 8 8 GLU HB2 H 1 2.065 0.009 . 1 . . . . 8 GLU HB2 . 18783 1
58 . 1 1 8 8 GLU HB3 H 1 2.065 0.009 . 1 . . . . 8 GLU HB3 . 18783 1
59 . 1 1 8 8 GLU HG2 H 1 2.209 0.005 . 1 . . . . 8 GLU HG2 . 18783 1
60 . 1 1 8 8 GLU HG3 H 1 2.209 0.005 . 1 . . . . 8 GLU HG3 . 18783 1
61 . 1 1 8 8 GLU CA C 13 54.126 0.000 . 1 . . . . 8 GLU CA . 18783 1
62 . 1 1 8 8 GLU CB C 13 32.851 0.000 . 1 . . . . 8 GLU CB . 18783 1
63 . 1 1 8 8 GLU CG C 13 34.755 0.000 . 1 . . . . 8 GLU CG . 18783 1
64 . 1 1 9 9 SER H H 1 8.066 0.003 . 1 . . . . 9 SER H . 18783 1
65 . 1 1 9 9 SER HA H 1 4.728 0.002 . 1 . . . . 9 SER HA . 18783 1
66 . 1 1 9 9 SER HB2 H 1 3.734 0.000 . 2 . . . . 9 SER HB2 . 18783 1
67 . 1 1 9 9 SER HB3 H 1 3.625 0.002 . 2 . . . . 9 SER HB3 . 18783 1
68 . 1 1 9 9 SER CA C 13 58.770 0.000 . 1 . . . . 9 SER CA . 18783 1
69 . 1 1 9 9 SER CB C 13 64.148 0.000 . 1 . . . . 9 SER CB . 18783 1
70 . 1 1 10 10 CYS H H 1 8.073 0.004 . 1 . . . . 10 CYS H . 18783 1
71 . 1 1 10 10 CYS HA H 1 5.048 0.003 . 1 . . . . 10 CYS HA . 18783 1
72 . 1 1 10 10 CYS HB2 H 1 3.013 0.005 . 2 . . . . 10 CYS HB2 . 18783 1
73 . 1 1 10 10 CYS HB3 H 1 2.832 0.006 . 2 . . . . 10 CYS HB3 . 18783 1
74 . 1 1 10 10 CYS CA C 13 52.824 0.000 . 1 . . . . 10 CYS CA . 18783 1
75 . 1 1 10 10 CYS CB C 13 49.151 0.000 . 1 . . . . 10 CYS CB . 18783 1
76 . 1 1 11 11 ASN H H 1 8.092 0.003 . 1 . . . . 11 ASN H . 18783 1
77 . 1 1 11 11 ASN HA H 1 5.064 0.004 . 1 . . . . 11 ASN HA . 18783 1
78 . 1 1 11 11 ASN HB2 H 1 2.711 0.004 . 2 . . . . 11 ASN HB2 . 18783 1
79 . 1 1 11 11 ASN HB3 H 1 2.089 0.005 . 2 . . . . 11 ASN HB3 . 18783 1
80 . 1 1 11 11 ASN HD21 H 1 6.870 0.000 . 2 . . . . 11 ASN HD21 . 18783 1
81 . 1 1 11 11 ASN HD22 H 1 6.551 0.000 . 2 . . . . 11 ASN HD22 . 18783 1
82 . 1 1 11 11 ASN CA C 13 52.811 0.000 . 1 . . . . 11 ASN CA . 18783 1
83 . 1 1 11 11 ASN CB C 13 42.653 0.000 . 1 . . . . 11 ASN CB . 18783 1
84 . 1 1 12 12 VAL H H 1 8.440 0.002 . 1 . . . . 12 VAL H . 18783 1
85 . 1 1 12 12 VAL HA H 1 3.547 0.003 . 1 . . . . 12 VAL HA . 18783 1
86 . 1 1 12 12 VAL HB H 1 2.156 0.003 . 1 . . . . 12 VAL HB . 18783 1
87 . 1 1 12 12 VAL HG11 H 1 0.958 0.003 . 2 . . . . 12 VAL HG11 . 18783 1
88 . 1 1 12 12 VAL HG12 H 1 0.958 0.003 . 2 . . . . 12 VAL HG12 . 18783 1
89 . 1 1 12 12 VAL HG13 H 1 0.958 0.003 . 2 . . . . 12 VAL HG13 . 18783 1
90 . 1 1 12 12 VAL HG21 H 1 0.922 0.004 . 2 . . . . 12 VAL HG21 . 18783 1
91 . 1 1 12 12 VAL HG22 H 1 0.922 0.004 . 2 . . . . 12 VAL HG22 . 18783 1
92 . 1 1 12 12 VAL HG23 H 1 0.922 0.004 . 2 . . . . 12 VAL HG23 . 18783 1
93 . 1 1 12 12 VAL CA C 13 65.361 0.000 . 1 . . . . 12 VAL CA . 18783 1
94 . 1 1 12 12 VAL CB C 13 31.332 0.000 . 1 . . . . 12 VAL CB . 18783 1
95 . 1 1 12 12 VAL CG1 C 13 22.484 0.000 . 2 . . . . 12 VAL CG1 . 18783 1
96 . 1 1 12 12 VAL CG2 C 13 19.447 0.000 . 2 . . . . 12 VAL CG2 . 18783 1
97 . 1 1 13 13 GLU H H 1 7.542 0.002 . 1 . . . . 13 GLU H . 18783 1
98 . 1 1 13 13 GLU HA H 1 4.191 0.003 . 1 . . . . 13 GLU HA . 18783 1
99 . 1 1 13 13 GLU HB2 H 1 1.581 0.003 . 1 . . . . 13 GLU HB2 . 18783 1
100 . 1 1 13 13 GLU HB3 H 1 1.581 0.003 . 1 . . . . 13 GLU HB3 . 18783 1
101 . 1 1 13 13 GLU HG2 H 1 1.905 0.002 . 2 . . . . 13 GLU HG2 . 18783 1
102 . 1 1 13 13 GLU HG3 H 1 1.793 0.005 . 2 . . . . 13 GLU HG3 . 18783 1
103 . 1 1 13 13 GLU CA C 13 56.098 0.000 . 1 . . . . 13 GLU CA . 18783 1
104 . 1 1 13 13 GLU CB C 13 29.580 0.000 . 1 . . . . 13 GLU CB . 18783 1
105 . 1 1 13 13 GLU CG C 13 32.575 0.000 . 1 . . . . 13 GLU CG . 18783 1
106 . 1 1 14 14 PHE H H 1 7.461 0.004 . 1 . . . . 14 PHE H . 18783 1
107 . 1 1 14 14 PHE HA H 1 4.486 0.004 . 1 . . . . 14 PHE HA . 18783 1
108 . 1 1 14 14 PHE HB2 H 1 2.862 0.002 . 2 . . . . 14 PHE HB2 . 18783 1
109 . 1 1 14 14 PHE HB3 H 1 2.525 0.004 . 2 . . . . 14 PHE HB3 . 18783 1
110 . 1 1 14 14 PHE HD1 H 1 7.153 0.000 . 3 . . . . 14 PHE HD1 . 18783 1
111 . 1 1 14 14 PHE HD2 H 1 7.153 0.000 . 3 . . . . 14 PHE HD2 . 18783 1
112 . 1 1 14 14 PHE HE1 H 1 7.110 0.000 . 3 . . . . 14 PHE HE1 . 18783 1
113 . 1 1 14 14 PHE HE2 H 1 7.110 0.000 . 3 . . . . 14 PHE HE2 . 18783 1
114 . 1 1 14 14 PHE HZ H 1 7.054 0.003 . 1 . . . . 14 PHE HZ . 18783 1
115 . 1 1 14 14 PHE CA C 13 57.897 0.000 . 1 . . . . 14 PHE CA . 18783 1
116 . 1 1 14 14 PHE CB C 13 41.999 0.000 . 1 . . . . 14 PHE CB . 18783 1
117 . 1 1 14 14 PHE CD1 C 13 130.710 0.000 . 3 . . . . 14 PHE CD1 . 18783 1
118 . 1 1 14 14 PHE CD2 C 13 130.710 0.000 . 3 . . . . 14 PHE CD2 . 18783 1
119 . 1 1 14 14 PHE CE1 C 13 129.174 0.000 . 3 . . . . 14 PHE CE1 . 18783 1
120 . 1 1 14 14 PHE CE2 C 13 129.174 0.000 . 3 . . . . 14 PHE CE2 . 18783 1
121 . 1 1 14 14 PHE CZ C 13 131.719 0.000 . 1 . . . . 14 PHE CZ . 18783 1
122 . 1 1 15 15 TYR H H 1 8.283 0.002 . 1 . . . . 15 TYR H . 18783 1
123 . 1 1 15 15 TYR HA H 1 4.519 0.002 . 1 . . . . 15 TYR HA . 18783 1
124 . 1 1 15 15 TYR HB2 H 1 3.038 0.002 . 2 . . . . 15 TYR HB2 . 18783 1
125 . 1 1 15 15 TYR HB3 H 1 2.343 0.002 . 2 . . . . 15 TYR HB3 . 18783 1
126 . 1 1 15 15 TYR HD1 H 1 6.864 0.002 . 3 . . . . 15 TYR HD1 . 18783 1
127 . 1 1 15 15 TYR HD2 H 1 6.864 0.002 . 3 . . . . 15 TYR HD2 . 18783 1
128 . 1 1 15 15 TYR HE1 H 1 6.405 0.001 . 3 . . . . 15 TYR HE1 . 18783 1
129 . 1 1 15 15 TYR HE2 H 1 6.405 0.001 . 3 . . . . 15 TYR HE2 . 18783 1
130 . 1 1 15 15 TYR CA C 13 56.149 0.000 . 1 . . . . 15 TYR CA . 18783 1
131 . 1 1 15 15 TYR CB C 13 39.039 0.000 . 1 . . . . 15 TYR CB . 18783 1
132 . 1 1 15 15 TYR CD1 C 13 132.568 0.000 . 3 . . . . 15 TYR CD1 . 18783 1
133 . 1 1 15 15 TYR CD2 C 13 132.568 0.000 . 3 . . . . 15 TYR CD2 . 18783 1
134 . 1 1 15 15 TYR CE1 C 13 117.672 0.000 . 3 . . . . 15 TYR CE1 . 18783 1
135 . 1 1 15 15 TYR CE2 C 13 117.672 0.000 . 3 . . . . 15 TYR CE2 . 18783 1
136 . 1 1 16 16 PRO HA H 1 4.159 0.002 . 1 . . . . 16 PRO HA . 18783 1
137 . 1 1 16 16 PRO HB2 H 1 2.135 0.012 . 1 . . . . 16 PRO HB2 . 18783 1
138 . 1 1 16 16 PRO HB3 H 1 2.135 0.012 . 1 . . . . 16 PRO HB3 . 18783 1
139 . 1 1 16 16 PRO HG2 H 1 1.731 0.003 . 1 . . . . 16 PRO HG2 . 18783 1
140 . 1 1 16 16 PRO HG3 H 1 1.731 0.003 . 1 . . . . 16 PRO HG3 . 18783 1
141 . 1 1 16 16 PRO HD2 H 1 3.407 0.003 . 2 . . . . 16 PRO HD2 . 18783 1
142 . 1 1 16 16 PRO HD3 H 1 3.086 0.002 . 2 . . . . 16 PRO HD3 . 18783 1
143 . 1 1 16 16 PRO CA C 13 62.079 0.000 . 1 . . . . 16 PRO CA . 18783 1
144 . 1 1 16 16 PRO CB C 13 31.985 0.000 . 1 . . . . 16 PRO CB . 18783 1
145 . 1 1 16 16 PRO CG C 13 26.518 0.000 . 1 . . . . 16 PRO CG . 18783 1
146 . 1 1 16 16 PRO CD C 13 48.972 0.000 . 1 . . . . 16 PRO CD . 18783 1
147 . 1 1 17 17 CYS H H 1 8.030 0.002 . 1 . . . . 17 CYS H . 18783 1
148 . 1 1 17 17 CYS HA H 1 4.533 0.003 . 1 . . . . 17 CYS HA . 18783 1
149 . 1 1 17 17 CYS HB2 H 1 2.643 0.002 . 2 . . . . 17 CYS HB2 . 18783 1
150 . 1 1 17 17 CYS HB3 H 1 2.177 0.004 . 2 . . . . 17 CYS HB3 . 18783 1
151 . 1 1 17 17 CYS CA C 13 55.788 0.000 . 1 . . . . 17 CYS CA . 18783 1
152 . 1 1 17 17 CYS CB C 13 40.604 0.004 . 1 . . . . 17 CYS CB . 18783 1
153 . 1 1 18 18 CYS H H 1 8.804 0.002 . 1 . . . . 18 CYS H . 18783 1
154 . 1 1 18 18 CYS HA H 1 4.634 0.003 . 1 . . . . 18 CYS HA . 18783 1
155 . 1 1 18 18 CYS HB2 H 1 3.316 0.005 . 2 . . . . 18 CYS HB2 . 18783 1
156 . 1 1 18 18 CYS HB3 H 1 2.513 0.002 . 2 . . . . 18 CYS HB3 . 18783 1
157 . 1 1 18 18 CYS CA C 13 52.026 0.000 . 1 . . . . 18 CYS CA . 18783 1
158 . 1 1 18 18 CYS CB C 13 39.573 0.000 . 1 . . . . 18 CYS CB . 18783 1
159 . 1 1 19 19 PRO HA H 1 4.506 0.004 . 1 . . . . 19 PRO HA . 18783 1
160 . 1 1 19 19 PRO HB2 H 1 2.019 0.003 . 2 . . . . 19 PRO HB2 . 18783 1
161 . 1 1 19 19 PRO HB3 H 1 1.856 0.004 . 2 . . . . 19 PRO HB3 . 18783 1
162 . 1 1 19 19 PRO HG2 H 1 1.996 0.006 . 1 . . . . 19 PRO HG2 . 18783 1
163 . 1 1 19 19 PRO HG3 H 1 1.996 0.006 . 1 . . . . 19 PRO HG3 . 18783 1
164 . 1 1 19 19 PRO HD2 H 1 3.910 0.003 . 1 . . . . 19 PRO HD2 . 18783 1
165 . 1 1 19 19 PRO HD3 H 1 3.910 0.003 . 1 . . . . 19 PRO HD3 . 18783 1
166 . 1 1 19 19 PRO CA C 13 64.318 0.000 . 1 . . . . 19 PRO CA . 18783 1
167 . 1 1 19 19 PRO CB C 13 31.693 0.000 . 1 . . . . 19 PRO CB . 18783 1
168 . 1 1 19 19 PRO CG C 13 27.170 0.000 . 1 . . . . 19 PRO CG . 18783 1
169 . 1 1 19 19 PRO CD C 13 50.499 0.000 . 1 . . . . 19 PRO CD . 18783 1
170 . 1 1 20 20 GLY H H 1 8.797 0.002 . 1 . . . . 20 GLY H . 18783 1
171 . 1 1 20 20 GLY HA2 H 1 3.753 0.002 . 2 . . . . 20 GLY HA2 . 18783 1
172 . 1 1 20 20 GLY HA3 H 1 3.537 0.006 . 2 . . . . 20 GLY HA3 . 18783 1
173 . 1 1 20 20 GLY CA C 13 45.927 0.000 . 1 . . . . 20 GLY CA . 18783 1
174 . 1 1 21 21 LEU H H 1 6.553 0.002 . 1 . . . . 21 LEU H . 18783 1
175 . 1 1 21 21 LEU HA H 1 4.289 0.002 . 1 . . . . 21 LEU HA . 18783 1
176 . 1 1 21 21 LEU HB2 H 1 1.732 0.002 . 2 . . . . 21 LEU HB2 . 18783 1
177 . 1 1 21 21 LEU HB3 H 1 1.509 0.004 . 2 . . . . 21 LEU HB3 . 18783 1
178 . 1 1 21 21 LEU HG H 1 1.380 0.004 . 1 . . . . 21 LEU HG . 18783 1
179 . 1 1 21 21 LEU HD11 H 1 0.748 0.004 . 1 . . . . 21 LEU HD11 . 18783 1
180 . 1 1 21 21 LEU HD12 H 1 0.748 0.004 . 1 . . . . 21 LEU HD12 . 18783 1
181 . 1 1 21 21 LEU HD13 H 1 0.748 0.004 . 1 . . . . 21 LEU HD13 . 18783 1
182 . 1 1 21 21 LEU HD21 H 1 0.748 0.004 . 1 . . . . 21 LEU HD21 . 18783 1
183 . 1 1 21 21 LEU HD22 H 1 0.748 0.004 . 1 . . . . 21 LEU HD22 . 18783 1
184 . 1 1 21 21 LEU HD23 H 1 0.748 0.004 . 1 . . . . 21 LEU HD23 . 18783 1
185 . 1 1 21 21 LEU CA C 13 53.036 0.000 . 1 . . . . 21 LEU CA . 18783 1
186 . 1 1 21 21 LEU CB C 13 41.762 0.000 . 1 . . . . 21 LEU CB . 18783 1
187 . 1 1 21 21 LEU CG C 13 26.968 0.000 . 1 . . . . 21 LEU CG . 18783 1
188 . 1 1 21 21 LEU CD1 C 13 25.979 0.000 . 2 . . . . 21 LEU CD1 . 18783 1
189 . 1 1 21 21 LEU CD2 C 13 20.253 0.000 . 2 . . . . 21 LEU CD2 . 18783 1
190 . 1 1 22 22 GLY H H 1 7.843 0.001 . 1 . . . . 22 GLY H . 18783 1
191 . 1 1 22 22 GLY HA2 H 1 3.918 0.003 . 2 . . . . 22 GLY HA2 . 18783 1
192 . 1 1 22 22 GLY HA3 H 1 3.354 0.002 . 2 . . . . 22 GLY HA3 . 18783 1
193 . 1 1 22 22 GLY CA C 13 45.766 0.000 . 1 . . . . 22 GLY CA . 18783 1
194 . 1 1 23 23 LEU H H 1 6.269 0.002 . 1 . . . . 23 LEU H . 18783 1
195 . 1 1 23 23 LEU HA H 1 5.104 0.002 . 1 . . . . 23 LEU HA . 18783 1
196 . 1 1 23 23 LEU HB2 H 1 1.655 0.002 . 2 . . . . 23 LEU HB2 . 18783 1
197 . 1 1 23 23 LEU HB3 H 1 0.885 0.005 . 2 . . . . 23 LEU HB3 . 18783 1
198 . 1 1 23 23 LEU HG H 1 1.387 0.002 . 1 . . . . 23 LEU HG . 18783 1
199 . 1 1 23 23 LEU HD11 H 1 0.951 0.003 . 2 . . . . 23 LEU HD11 . 18783 1
200 . 1 1 23 23 LEU HD12 H 1 0.951 0.003 . 2 . . . . 23 LEU HD12 . 18783 1
201 . 1 1 23 23 LEU HD13 H 1 0.951 0.003 . 2 . . . . 23 LEU HD13 . 18783 1
202 . 1 1 23 23 LEU HD21 H 1 0.452 0.003 . 2 . . . . 23 LEU HD21 . 18783 1
203 . 1 1 23 23 LEU HD22 H 1 0.452 0.003 . 2 . . . . 23 LEU HD22 . 18783 1
204 . 1 1 23 23 LEU HD23 H 1 0.452 0.003 . 2 . . . . 23 LEU HD23 . 18783 1
205 . 1 1 23 23 LEU CA C 13 52.230 0.000 . 1 . . . . 23 LEU CA . 18783 1
206 . 1 1 23 23 LEU CB C 13 45.956 0.005 . 1 . . . . 23 LEU CB . 18783 1
207 . 1 1 23 23 LEU CG C 13 25.797 0.000 . 1 . . . . 23 LEU CG . 18783 1
208 . 1 1 23 23 LEU CD1 C 13 27.265 0.000 . 2 . . . . 23 LEU CD1 . 18783 1
209 . 1 1 23 23 LEU CD2 C 13 22.663 0.000 . 2 . . . . 23 LEU CD2 . 18783 1
210 . 1 1 24 24 THR H H 1 8.542 0.003 . 1 . . . . 24 THR H . 18783 1
211 . 1 1 24 24 THR HA H 1 4.337 0.003 . 1 . . . . 24 THR HA . 18783 1
212 . 1 1 24 24 THR HB H 1 3.628 0.002 . 1 . . . . 24 THR HB . 18783 1
213 . 1 1 24 24 THR HG21 H 1 0.898 0.003 . 1 . . . . 24 THR HG21 . 18783 1
214 . 1 1 24 24 THR HG22 H 1 0.898 0.003 . 1 . . . . 24 THR HG22 . 18783 1
215 . 1 1 24 24 THR HG23 H 1 0.898 0.003 . 1 . . . . 24 THR HG23 . 18783 1
216 . 1 1 24 24 THR CA C 13 59.771 0.000 . 1 . . . . 24 THR CA . 18783 1
217 . 1 1 24 24 THR CB C 13 70.307 0.000 . 1 . . . . 24 THR CB . 18783 1
218 . 1 1 24 24 THR CG2 C 13 20.169 0.000 . 1 . . . . 24 THR CG2 . 18783 1
219 . 1 1 25 25 CYS H H 1 7.102 0.001 . 1 . . . . 25 CYS H . 18783 1
220 . 1 1 25 25 CYS HA H 1 4.423 0.002 . 1 . . . . 25 CYS HA . 18783 1
221 . 1 1 25 25 CYS HB2 H 1 3.135 0.002 . 2 . . . . 25 CYS HB2 . 18783 1
222 . 1 1 25 25 CYS HB3 H 1 2.377 0.002 . 2 . . . . 25 CYS HB3 . 18783 1
223 . 1 1 25 25 CYS CA C 13 54.919 0.000 . 1 . . . . 25 CYS CA . 18783 1
224 . 1 1 25 25 CYS CB C 13 39.336 0.000 . 1 . . . . 25 CYS CB . 18783 1
225 . 1 1 26 26 ILE H H 1 8.296 0.003 . 1 . . . . 26 ILE H . 18783 1
226 . 1 1 26 26 ILE HA H 1 4.417 0.002 . 1 . . . . 26 ILE HA . 18783 1
227 . 1 1 26 26 ILE HB H 1 1.871 0.003 . 1 . . . . 26 ILE HB . 18783 1
228 . 1 1 26 26 ILE HG12 H 1 1.273 0.002 . 2 . . . . 26 ILE HG12 . 18783 1
229 . 1 1 26 26 ILE HG13 H 1 1.112 0.003 . 2 . . . . 26 ILE HG13 . 18783 1
230 . 1 1 26 26 ILE HG21 H 1 0.544 0.002 . 1 . . . . 26 ILE HG21 . 18783 1
231 . 1 1 26 26 ILE HG22 H 1 0.544 0.002 . 1 . . . . 26 ILE HG22 . 18783 1
232 . 1 1 26 26 ILE HG23 H 1 0.544 0.002 . 1 . . . . 26 ILE HG23 . 18783 1
233 . 1 1 26 26 ILE HD11 H 1 0.438 0.003 . 1 . . . . 26 ILE HD11 . 18783 1
234 . 1 1 26 26 ILE HD12 H 1 0.438 0.003 . 1 . . . . 26 ILE HD12 . 18783 1
235 . 1 1 26 26 ILE HD13 H 1 0.438 0.003 . 1 . . . . 26 ILE HD13 . 18783 1
236 . 1 1 26 26 ILE CA C 13 55.784 0.000 . 1 . . . . 26 ILE CA . 18783 1
237 . 1 1 26 26 ILE CB C 13 39.794 0.000 . 1 . . . . 26 ILE CB . 18783 1
238 . 1 1 26 26 ILE CG1 C 13 26.238 0.000 . 1 . . . . 26 ILE CG1 . 18783 1
239 . 1 1 26 26 ILE CG2 C 13 16.572 0.000 . 1 . . . . 26 ILE CG2 . 18783 1
240 . 1 1 26 26 ILE CD1 C 13 11.660 0.000 . 1 . . . . 26 ILE CD1 . 18783 1
241 . 1 1 27 27 PRO HA H 1 4.295 0.003 . 1 . . . . 27 PRO HA . 18783 1
242 . 1 1 27 27 PRO HB2 H 1 2.232 0.003 . 2 . . . . 27 PRO HB2 . 18783 1
243 . 1 1 27 27 PRO HB3 H 1 2.036 0.004 . 2 . . . . 27 PRO HB3 . 18783 1
244 . 1 1 27 27 PRO HG2 H 1 2.140 0.001 . 2 . . . . 27 PRO HG2 . 18783 1
245 . 1 1 27 27 PRO HG3 H 1 1.798 0.003 . 2 . . . . 27 PRO HG3 . 18783 1
246 . 1 1 27 27 PRO HD2 H 1 3.980 0.002 . 2 . . . . 27 PRO HD2 . 18783 1
247 . 1 1 27 27 PRO HD3 H 1 3.549 0.004 . 2 . . . . 27 PRO HD3 . 18783 1
248 . 1 1 27 27 PRO CA C 13 64.106 0.000 . 1 . . . . 27 PRO CA . 18783 1
249 . 1 1 27 27 PRO CB C 13 33.966 0.009 . 1 . . . . 27 PRO CB . 18783 1
250 . 1 1 27 27 PRO CG C 13 25.475 0.000 . 1 . . . . 27 PRO CG . 18783 1
251 . 1 1 27 27 PRO CD C 13 49.553 0.004 . 1 . . . . 27 PRO CD . 18783 1
252 . 1 1 28 28 GLY H H 1 7.219 0.003 . 1 . . . . 28 GLY H . 18783 1
253 . 1 1 28 28 GLY HA2 H 1 3.380 0.005 . 2 . . . . 28 GLY HA2 . 18783 1
254 . 1 1 28 28 GLY HA3 H 1 2.779 0.002 . 2 . . . . 28 GLY HA3 . 18783 1
255 . 1 1 28 28 GLY CA C 13 46.610 0.004 . 1 . . . . 28 GLY CA . 18783 1
256 . 1 1 29 29 ASN H H 1 7.452 0.002 . 1 . . . . 29 ASN H . 18783 1
257 . 1 1 29 29 ASN HA H 1 4.895 0.002 . 1 . . . . 29 ASN HA . 18783 1
258 . 1 1 29 29 ASN HB2 H 1 2.395 0.003 . 2 . . . . 29 ASN HB2 . 18783 1
259 . 1 1 29 29 ASN HB3 H 1 2.153 0.004 . 2 . . . . 29 ASN HB3 . 18783 1
260 . 1 1 29 29 ASN HD21 H 1 7.207 0.001 . 2 . . . . 29 ASN HD21 . 18783 1
261 . 1 1 29 29 ASN HD22 H 1 6.613 0.002 . 2 . . . . 29 ASN HD22 . 18783 1
262 . 1 1 29 29 ASN CA C 13 50.211 0.000 . 1 . . . . 29 ASN CA . 18783 1
263 . 1 1 29 29 ASN CB C 13 39.545 0.011 . 1 . . . . 29 ASN CB . 18783 1
264 . 1 1 30 30 PRO HA H 1 4.217 0.002 . 1 . . . . 30 PRO HA . 18783 1
265 . 1 1 30 30 PRO HB2 H 1 1.987 0.003 . 2 . . . . 30 PRO HB2 . 18783 1
266 . 1 1 30 30 PRO HB3 H 1 1.891 0.004 . 2 . . . . 30 PRO HB3 . 18783 1
267 . 1 1 30 30 PRO HG2 H 1 1.647 0.004 . 1 . . . . 30 PRO HG2 . 18783 1
268 . 1 1 30 30 PRO HG3 H 1 1.647 0.004 . 1 . . . . 30 PRO HG3 . 18783 1
269 . 1 1 30 30 PRO HD2 H 1 3.403 0.005 . 1 . . . . 30 PRO HD2 . 18783 1
270 . 1 1 30 30 PRO HD3 H 1 3.403 0.005 . 1 . . . . 30 PRO HD3 . 18783 1
271 . 1 1 30 30 PRO CA C 13 63.046 0.000 . 1 . . . . 30 PRO CA . 18783 1
272 . 1 1 30 30 PRO CB C 13 34.331 0.004 . 1 . . . . 30 PRO CB . 18783 1
273 . 1 1 30 30 PRO CG C 13 23.837 0.000 . 1 . . . . 30 PRO CG . 18783 1
274 . 1 1 30 30 PRO CD C 13 49.727 0.000 . 1 . . . . 30 PRO CD . 18783 1
275 . 1 1 31 31 ASP H H 1 7.854 0.003 . 1 . . . . 31 ASP H . 18783 1
276 . 1 1 31 31 ASP HA H 1 5.630 0.002 . 1 . . . . 31 ASP HA . 18783 1
277 . 1 1 31 31 ASP HB2 H 1 2.907 0.003 . 2 . . . . 31 ASP HB2 . 18783 1
278 . 1 1 31 31 ASP HB3 H 1 2.692 0.006 . 2 . . . . 31 ASP HB3 . 18783 1
279 . 1 1 31 31 ASP CA C 13 51.560 0.000 . 1 . . . . 31 ASP CA . 18783 1
280 . 1 1 31 31 ASP CB C 13 41.579 0.000 . 1 . . . . 31 ASP CB . 18783 1
281 . 1 1 32 32 GLY H H 1 7.902 0.002 . 1 . . . . 32 GLY H . 18783 1
282 . 1 1 32 32 GLY HA2 H 1 3.836 0.002 . 2 . . . . 32 GLY HA2 . 18783 1
283 . 1 1 32 32 GLY HA3 H 1 3.718 0.003 . 2 . . . . 32 GLY HA3 . 18783 1
284 . 1 1 32 32 GLY CA C 13 47.102 0.004 . 1 . . . . 32 GLY CA . 18783 1
285 . 1 1 33 33 THR H H 1 8.388 0.003 . 1 . . . . 33 THR H . 18783 1
286 . 1 1 33 33 THR HA H 1 4.791 0.003 . 1 . . . . 33 THR HA . 18783 1
287 . 1 1 33 33 THR HB H 1 3.576 0.001 . 1 . . . . 33 THR HB . 18783 1
288 . 1 1 33 33 THR HG21 H 1 0.732 0.003 . 1 . . . . 33 THR HG21 . 18783 1
289 . 1 1 33 33 THR HG22 H 1 0.732 0.003 . 1 . . . . 33 THR HG22 . 18783 1
290 . 1 1 33 33 THR HG23 H 1 0.732 0.003 . 1 . . . . 33 THR HG23 . 18783 1
291 . 1 1 33 33 THR CA C 13 61.391 0.000 . 1 . . . . 33 THR CA . 18783 1
292 . 1 1 33 33 THR CB C 13 71.350 0.000 . 1 . . . . 33 THR CB . 18783 1
293 . 1 1 33 33 THR CG2 C 13 22.917 0.000 . 1 . . . . 33 THR CG2 . 18783 1
294 . 1 1 34 34 CYS H H 1 8.342 0.002 . 1 . . . . 34 CYS H . 18783 1
295 . 1 1 34 34 CYS HA H 1 5.026 0.003 . 1 . . . . 34 CYS HA . 18783 1
296 . 1 1 34 34 CYS HB2 H 1 3.212 0.005 . 2 . . . . 34 CYS HB2 . 18783 1
297 . 1 1 34 34 CYS HB3 H 1 2.371 0.004 . 2 . . . . 34 CYS HB3 . 18783 1
298 . 1 1 34 34 CYS CA C 13 54.902 0.000 . 1 . . . . 34 CYS CA . 18783 1
299 . 1 1 34 34 CYS CB C 13 40.910 0.004 . 1 . . . . 34 CYS CB . 18783 1
300 . 1 1 35 35 TYR H H 1 8.976 0.002 . 1 . . . . 35 TYR H . 18783 1
301 . 1 1 35 35 TYR HA H 1 4.627 0.003 . 1 . . . . 35 TYR HA . 18783 1
302 . 1 1 35 35 TYR HB2 H 1 2.743 0.002 . 2 . . . . 35 TYR HB2 . 18783 1
303 . 1 1 35 35 TYR HB3 H 1 2.522 0.003 . 2 . . . . 35 TYR HB3 . 18783 1
304 . 1 1 35 35 TYR HD1 H 1 7.096 0.003 . 3 . . . . 35 TYR HD1 . 18783 1
305 . 1 1 35 35 TYR HD2 H 1 7.096 0.003 . 3 . . . . 35 TYR HD2 . 18783 1
306 . 1 1 35 35 TYR HE1 H 1 6.562 0.003 . 3 . . . . 35 TYR HE1 . 18783 1
307 . 1 1 35 35 TYR HE2 H 1 6.562 0.003 . 3 . . . . 35 TYR HE2 . 18783 1
308 . 1 1 35 35 TYR CA C 13 56.073 0.000 . 1 . . . . 35 TYR CA . 18783 1
309 . 1 1 35 35 TYR CB C 13 41.999 0.000 . 1 . . . . 35 TYR CB . 18783 1
310 . 1 1 35 35 TYR CD1 C 13 133.043 0.000 . 3 . . . . 35 TYR CD1 . 18783 1
311 . 1 1 35 35 TYR CD2 C 13 133.043 0.000 . 3 . . . . 35 TYR CD2 . 18783 1
312 . 1 1 35 35 TYR CE1 C 13 117.459 0.000 . 3 . . . . 35 TYR CE1 . 18783 1
313 . 1 1 35 35 TYR CE2 C 13 117.459 0.000 . 3 . . . . 35 TYR CE2 . 18783 1
314 . 1 1 36 36 TYR H H 1 8.567 0.003 . 1 . . . . 36 TYR H . 18783 1
315 . 1 1 36 36 TYR HA H 1 4.617 0.004 . 1 . . . . 36 TYR HA . 18783 1
316 . 1 1 36 36 TYR HB2 H 1 2.770 0.004 . 2 . . . . 36 TYR HB2 . 18783 1
317 . 1 1 36 36 TYR HB3 H 1 2.558 0.005 . 2 . . . . 36 TYR HB3 . 18783 1
318 . 1 1 36 36 TYR HD1 H 1 6.938 0.002 . 3 . . . . 36 TYR HD1 . 18783 1
319 . 1 1 36 36 TYR HD2 H 1 6.938 0.002 . 3 . . . . 36 TYR HD2 . 18783 1
320 . 1 1 36 36 TYR HE1 H 1 6.627 0.002 . 3 . . . . 36 TYR HE1 . 18783 1
321 . 1 1 36 36 TYR HE2 H 1 6.627 0.002 . 3 . . . . 36 TYR HE2 . 18783 1
322 . 1 1 36 36 TYR CA C 13 57.167 0.000 . 1 . . . . 36 TYR CA . 18783 1
323 . 1 1 36 36 TYR CB C 13 39.064 0.000 . 1 . . . . 36 TYR CB . 18783 1
324 . 1 1 36 36 TYR CD1 C 13 133.144 0.000 . 3 . . . . 36 TYR CD1 . 18783 1
325 . 1 1 36 36 TYR CD2 C 13 133.144 0.000 . 3 . . . . 36 TYR CD2 . 18783 1
326 . 1 1 36 36 TYR CE1 C 13 117.790 0.000 . 3 . . . . 36 TYR CE1 . 18783 1
327 . 1 1 36 36 TYR CE2 C 13 117.790 0.000 . 3 . . . . 36 TYR CE2 . 18783 1
328 . 1 1 37 37 LEU H H 1 7.562 0.002 . 1 . . . . 37 LEU H . 18783 1
329 . 1 1 37 37 LEU HA H 1 4.000 0.002 . 1 . . . . 37 LEU HA . 18783 1
330 . 1 1 37 37 LEU HB2 H 1 1.340 0.003 . 2 . . . . 37 LEU HB2 . 18783 1
331 . 1 1 37 37 LEU HB3 H 1 1.278 0.005 . 2 . . . . 37 LEU HB3 . 18783 1
332 . 1 1 37 37 LEU HG H 1 1.456 0.002 . 1 . . . . 37 LEU HG . 18783 1
333 . 1 1 37 37 LEU HD11 H 1 0.725 0.004 . 1 . . . . 37 LEU HD11 . 18783 1
334 . 1 1 37 37 LEU HD12 H 1 0.725 0.004 . 1 . . . . 37 LEU HD12 . 18783 1
335 . 1 1 37 37 LEU HD13 H 1 0.725 0.004 . 1 . . . . 37 LEU HD13 . 18783 1
336 . 1 1 37 37 LEU HD21 H 1 0.725 0.004 . 1 . . . . 37 LEU HD21 . 18783 1
337 . 1 1 37 37 LEU HD22 H 1 0.725 0.004 . 1 . . . . 37 LEU HD22 . 18783 1
338 . 1 1 37 37 LEU HD23 H 1 0.725 0.004 . 1 . . . . 37 LEU HD23 . 18783 1
339 . 1 1 37 37 LEU CA C 13 53.392 0.000 . 1 . . . . 37 LEU CA . 18783 1
340 . 1 1 37 37 LEU CB C 13 43.212 0.000 . 1 . . . . 37 LEU CB . 18783 1
341 . 1 1 37 37 LEU CG C 13 26.874 0.000 . 1 . . . . 37 LEU CG . 18783 1
342 . 1 1 37 37 LEU CD1 C 13 25.114 0.000 . 2 . . . . 37 LEU CD1 . 18783 1
343 . 1 1 37 37 LEU CD2 C 13 21.882 0.000 . 2 . . . . 37 LEU CD2 . 18783 1
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