Content for NMR-STAR saveframe, "ABU8-1_chem_shift_list_1"
save_ABU8-1_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode ABU8-1_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 18300
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $ABU8-1_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $ABU8-1_chemical_shift
_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-1H NOESY' . . . 18300 1
2 '2D 1H-1H TOCSY' . . . 18300 1
4 '2D 1H-13C HSQC aliphatic' . . . 18300 1
5 '2D 1H-13C HSQC aromatic' . . . 18300 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 59.549 0.000 . 1 . . . A 1 PCA CA . 18300 1
2 . 1 1 1 1 PCA CB C 13 28.047 0.015 . 1 . . . A 1 PCA CB . 18300 1
3 . 1 1 1 1 PCA CG C 13 31.727 0.000 . 1 . . . A 1 PCA CG . 18300 1
4 . 1 1 1 1 PCA H1 H 1 8.089 0.002 . 1 . . . A 1 PCA H1 . 18300 1
5 . 1 1 1 1 PCA HA H 1 4.318 0.001 . 1 . . . A 1 PCA HA . 18300 1
6 . 1 1 1 1 PCA HB2 H 1 2.539 0.002 . 1 . . . A 1 PCA HB2 . 18300 1
7 . 1 1 1 1 PCA HB3 H 1 2.25 0.003 . 1 . . . A 1 PCA HB3 . 18300 1
8 . 1 1 1 1 PCA HG2 H 1 2.327 0.000 . 2 . . . A 1 PCA HG2 . 18300 1
9 . 1 1 1 1 PCA HG3 H 1 2.327 0.000 . 2 . . . A 1 PCA HG3 . 18300 1
10 . 1 1 2 2 GLY H H 1 8.234 0.002 . 1 . . . A 2 GLY H . 18300 1
11 . 1 1 2 2 GLY HA2 H 1 3.884 0.001 . 2 . . . A 2 GLY HA2 . 18300 1
12 . 1 1 2 2 GLY HA3 H 1 3.884 0.001 . 2 . . . A 2 GLY HA3 . 18300 1
13 . 1 1 2 2 GLY CA C 13 44.724 0.000 . 1 . . . A 2 GLY CA . 18300 1
14 . 1 1 3 3 CYS H H 1 7.453 0.001 . 1 . . . A 3 CYS H . 18300 1
15 . 1 1 3 3 CYS HA H 1 4.345 0.002 . 1 . . . A 3 CYS HA . 18300 1
16 . 1 1 3 3 CYS HB2 H 1 2.885 0.001 . 1 . . . A 3 CYS HB2 . 18300 1
17 . 1 1 3 3 CYS HB3 H 1 2.794 0.002 . 1 . . . A 3 CYS HB3 . 18300 1
18 . 1 1 3 3 CYS CA C 13 53.485 0.000 . 1 . . . A 3 CYS CA . 18300 1
19 . 1 1 3 3 CYS CB C 13 43.302 0.010 . 1 . . . A 3 CYS CB . 18300 1
20 . 1 1 4 4 ALA H H 1 8.479 0.001 . 1 . . . A 4 ALA H . 18300 1
21 . 1 1 4 4 ALA HA H 1 4.569 0.000 . 1 . . . A 4 ALA HA . 18300 1
22 . 1 1 4 4 ALA HB1 H 1 1.429 0.001 . 1 . . . A 4 ALA HB1 . 18300 1
23 . 1 1 4 4 ALA HB2 H 1 1.429 0.001 . 1 . . . A 4 ALA HB2 . 18300 1
24 . 1 1 4 4 ALA HB3 H 1 1.429 0.001 . 1 . . . A 4 ALA HB3 . 18300 1
25 . 1 1 4 4 ALA CA C 13 50.7 0.000 . 1 . . . A 4 ALA CA . 18300 1
26 . 1 1 4 4 ALA CB C 13 23.045 0.000 . 1 . . . A 4 ALA CB . 18300 1
27 . 1 1 5 5 PHE H H 1 7.862 0.001 . 1 . . . A 5 PHE H . 18300 1
28 . 1 1 5 5 PHE HA H 1 4.579 0.002 . 1 . . . A 5 PHE HA . 18300 1
29 . 1 1 5 5 PHE HB2 H 1 2.67 0.001 . 1 . . . A 5 PHE HB2 . 18300 1
30 . 1 1 5 5 PHE HB3 H 1 3.28 0.002 . 1 . . . A 5 PHE HB3 . 18300 1
31 . 1 1 5 5 PHE HD1 H 1 7.208 0.002 . 3 . . . A 5 PHE HD1 . 18300 1
32 . 1 1 5 5 PHE HD2 H 1 7.208 0.002 . 3 . . . A 5 PHE HD2 . 18300 1
33 . 1 1 5 5 PHE HE1 H 1 7.125 0.002 . 3 . . . A 5 PHE HE1 . 18300 1
34 . 1 1 5 5 PHE HE2 H 1 7.125 0.002 . 3 . . . A 5 PHE HE2 . 18300 1
35 . 1 1 5 5 PHE HZ H 1 7.271 0.001 . 1 . . . A 5 PHE HZ . 18300 1
36 . 1 1 5 5 PHE CA C 13 55.51 0.000 . 1 . . . A 5 PHE CA . 18300 1
37 . 1 1 5 5 PHE CB C 13 39.865 0.010 . 1 . . . A 5 PHE CB . 18300 1
38 . 1 1 5 5 PHE CD1 C 13 130.616 0.000 . 3 . . . A 5 PHE CD1 . 18300 1
39 . 1 1 5 5 PHE CD2 C 13 130.616 0.000 . 3 . . . A 5 PHE CD2 . 18300 1
40 . 1 1 5 5 PHE CE1 C 13 128.795 0.000 . 3 . . . A 5 PHE CE1 . 18300 1
41 . 1 1 5 5 PHE CE2 C 13 128.795 0.000 . 3 . . . A 5 PHE CE2 . 18300 1
42 . 1 1 5 5 PHE CZ C 13 130.819 0.000 . 1 . . . A 5 PHE CZ . 18300 1
43 . 1 1 6 6 GLU H H 1 8.271 0.001 . 1 . . . A 6 GLU H . 18300 1
44 . 1 1 6 6 GLU HA H 1 3.641 0.001 . 1 . . . A 6 GLU HA . 18300 1
45 . 1 1 6 6 GLU HB2 H 1 1.868 0.002 . 1 . . . A 6 GLU HB2 . 18300 1
46 . 1 1 6 6 GLU HB3 H 1 2.027 0.004 . 1 . . . A 6 GLU HB3 . 18300 1
47 . 1 1 6 6 GLU HG2 H 1 2.304 0.002 . 1 . . . A 6 GLU HG2 . 18300 1
48 . 1 1 6 6 GLU HG3 H 1 2.36 0.004 . 1 . . . A 6 GLU HG3 . 18300 1
49 . 1 1 6 6 GLU CA C 13 57.762 0.000 . 1 . . . A 6 GLU CA . 18300 1
50 . 1 1 6 6 GLU CB C 13 27.895 0.000 . 1 . . . A 6 GLU CB . 18300 1
51 . 1 1 6 6 GLU CG C 13 32.576 0.000 . 1 . . . A 6 GLU CG . 18300 1
52 . 1 1 7 7 GLY H H 1 9.358 0.001 . 1 . . . A 7 GLY H . 18300 1
53 . 1 1 7 7 GLY HA2 H 1 3.261 0.001 . 1 . . . A 7 GLY HA2 . 18300 1
54 . 1 1 7 7 GLY HA3 H 1 4.104 0.001 . 1 . . . A 7 GLY HA3 . 18300 1
55 . 1 1 7 7 GLY CA C 13 44.931 0.040 . 1 . . . A 7 GLY CA . 18300 1
56 . 1 1 8 8 GLU H H 1 7.811 0.001 . 1 . . . A 8 GLU H . 18300 1
57 . 1 1 8 8 GLU HA H 1 4.632 0.003 . 1 . . . A 8 GLU HA . 18300 1
58 . 1 1 8 8 GLU HB2 H 1 2.448 0.001 . 1 . . . A 8 GLU HB2 . 18300 1
59 . 1 1 8 8 GLU HB3 H 1 2.448 0.001 . 1 . . . A 8 GLU HB3 . 18300 1
60 . 1 1 8 8 GLU HG2 H 1 2.226 0.003 . 1 . . . A 8 GLU HG2 . 18300 1
61 . 1 1 8 8 GLU HG3 H 1 2.376 0.005 . 1 . . . A 8 GLU HG3 . 18300 1
62 . 1 1 8 8 GLU CA C 13 53.905 0.000 . 1 . . . A 8 GLU CA . 18300 1
63 . 1 1 8 8 GLU CB C 13 33.672 0.000 . 1 . . . A 8 GLU CB . 18300 1
64 . 1 1 8 8 GLU CG C 13 32.122 0.000 . 1 . . . A 8 GLU CG . 18300 1
65 . 1 1 9 9 SER H H 1 8.309 0.001 . 1 . . . A 9 SER H . 18300 1
66 . 1 1 9 9 SER HA H 1 4.969 0.001 . 1 . . . A 9 SER HA . 18300 1
67 . 1 1 9 9 SER HB2 H 1 3.774 0.001 . 1 . . . A 9 SER HB2 . 18300 1
68 . 1 1 9 9 SER HB3 H 1 3.923 0.001 . 1 . . . A 9 SER HB3 . 18300 1
69 . 1 1 9 9 SER CA C 13 59.134 0.000 . 1 . . . A 9 SER CA . 18300 1
70 . 1 1 9 9 SER CB C 13 64.097 0.005 . 1 . . . A 9 SER CB . 18300 1
71 . 1 1 10 10 CYS H H 1 8.54 0.002 . 1 . . . A 10 CYS H . 18300 1
72 . 1 1 10 10 CYS HA H 1 5.387 0.001 . 1 . . . A 10 CYS HA . 18300 1
73 . 1 1 10 10 CYS HB2 H 1 3.337 0.002 . 1 . . . A 10 CYS HB2 . 18300 1
74 . 1 1 10 10 CYS HB3 H 1 2.945 0.002 . 1 . . . A 10 CYS HB3 . 18300 1
75 . 1 1 10 10 CYS CA C 13 52.922 0.000 . 1 . . . A 10 CYS CA . 18300 1
76 . 1 1 10 10 CYS CB C 13 51.011 0.015 . 1 . . . A 10 CYS CB . 18300 1
77 . 1 1 11 11 ASN H H 1 8.727 0.002 . 1 . . . A 11 ASN H . 18300 1
78 . 1 1 11 11 ASN HA H 1 5.385 0.002 . 1 . . . A 11 ASN HA . 18300 1
79 . 1 1 11 11 ASN HB2 H 1 2.191 0.003 . 1 . . . A 11 ASN HB2 . 18300 1
80 . 1 1 11 11 ASN HB3 H 1 2.925 0.003 . 1 . . . A 11 ASN HB3 . 18300 1
81 . 1 1 11 11 ASN HD21 H 1 7.821 0.000 . 1 . . . A 11 ASN HD21 . 18300 1
82 . 1 1 11 11 ASN HD22 H 1 8.097 0.001 . 1 . . . A 11 ASN HD22 . 18300 1
83 . 1 1 11 11 ASN CA C 13 52.927 0.000 . 1 . . . A 11 ASN CA . 18300 1
84 . 1 1 11 11 ASN CB C 13 42.843 0.015 . 1 . . . A 11 ASN CB . 18300 1
85 . 1 1 12 12 VAL H H 1 8.498 0.001 . 1 . . . A 12 VAL H . 18300 1
86 . 1 1 12 12 VAL HA H 1 3.65 0.001 . 1 . . . A 12 VAL HA . 18300 1
87 . 1 1 12 12 VAL HB H 1 2.192 0.001 . 1 . . . A 12 VAL HB . 18300 1
88 . 1 1 12 12 VAL HG11 H 1 1.044 0.001 . 1 . . . A 12 VAL HG11 . 18300 1
89 . 1 1 12 12 VAL HG12 H 1 1.044 0.001 . 1 . . . A 12 VAL HG12 . 18300 1
90 . 1 1 12 12 VAL HG13 H 1 1.044 0.001 . 1 . . . A 12 VAL HG13 . 18300 1
91 . 1 1 12 12 VAL HG21 H 1 0.995 0.001 . 1 . . . A 12 VAL HG21 . 18300 1
92 . 1 1 12 12 VAL HG22 H 1 0.995 0.001 . 1 . . . A 12 VAL HG22 . 18300 1
93 . 1 1 12 12 VAL HG23 H 1 0.995 0.001 . 1 . . . A 12 VAL HG23 . 18300 1
94 . 1 1 12 12 VAL CA C 13 65.416 0.000 . 1 . . . A 12 VAL CA . 18300 1
95 . 1 1 12 12 VAL CB C 13 31.816 0.000 . 1 . . . A 12 VAL CB . 18300 1
96 . 1 1 12 12 VAL CG1 C 13 21.998 0.000 . 1 . . . A 12 VAL CG1 . 18300 1
97 . 1 1 12 12 VAL CG2 C 13 18.956 0.000 . 1 . . . A 12 VAL CG2 . 18300 1
98 . 1 1 13 13 GLN H H 1 7.749 0.001 . 1 . . . A 13 GLN H . 18300 1
99 . 1 1 13 13 GLN HA H 1 4.273 0.002 . 1 . . . A 13 GLN HA . 18300 1
100 . 1 1 13 13 GLN HB2 H 1 1.446 0.001 . 1 . . . A 13 GLN HB2 . 18300 1
101 . 1 1 13 13 GLN HB3 H 1 1.867 0.002 . 1 . . . A 13 GLN HB3 . 18300 1
102 . 1 1 13 13 GLN HG2 H 1 1.805 0.003 . 1 . . . A 13 GLN HG2 . 18300 1
103 . 1 1 13 13 GLN HG3 H 1 1.805 0.003 . 1 . . . A 13 GLN HG3 . 18300 1
104 . 1 1 13 13 GLN HE21 H 1 6.697 0.000 . 1 . . . A 13 GLN HE21 . 18300 1
105 . 1 1 13 13 GLN HE22 H 1 7.345 0.000 . 1 . . . A 13 GLN HE22 . 18300 1
106 . 1 1 13 13 GLN CA C 13 53.999 0.000 . 1 . . . A 13 GLN CA . 18300 1
107 . 1 1 13 13 GLN CB C 13 30.235 0.000 . 1 . . . A 13 GLN CB . 18300 1
108 . 1 1 13 13 GLN CG C 13 34.206 0.000 . 1 . . . A 13 GLN CG . 18300 1
109 . 1 1 14 14 PHE H H 1 8.178 0.001 . 1 . . . A 14 PHE H . 18300 1
110 . 1 1 14 14 PHE HA H 1 4.832 0.002 . 1 . . . A 14 PHE HA . 18300 1
111 . 1 1 14 14 PHE HB2 H 1 2.637 0.002 . 1 . . . A 14 PHE HB2 . 18300 1
112 . 1 1 14 14 PHE HB3 H 1 3.207 0.001 . 1 . . . A 14 PHE HB3 . 18300 1
113 . 1 1 14 14 PHE HD1 H 1 7.228 0.002 . 3 . . . A 14 PHE HD1 . 18300 1
114 . 1 1 14 14 PHE HD2 H 1 7.228 0.002 . 3 . . . A 14 PHE HD2 . 18300 1
115 . 1 1 14 14 PHE HE1 H 1 7.143 0.002 . 3 . . . A 14 PHE HE1 . 18300 1
116 . 1 1 14 14 PHE HE2 H 1 7.143 0.002 . 3 . . . A 14 PHE HE2 . 18300 1
117 . 1 1 14 14 PHE HZ H 1 7.234 0.001 . 1 . . . A 14 PHE HZ . 18300 1
118 . 1 1 14 14 PHE CA C 13 58.196 0.000 . 1 . . . A 14 PHE CA . 18300 1
119 . 1 1 14 14 PHE CB C 13 42.137 0.000 . 1 . . . A 14 PHE CB . 18300 1
120 . 1 1 14 14 PHE CD1 C 13 130.631 0.000 . 3 . . . A 14 PHE CD1 . 18300 1
121 . 1 1 14 14 PHE CD2 C 13 130.631 0.000 . 3 . . . A 14 PHE CD2 . 18300 1
122 . 1 1 14 14 PHE CE1 C 13 128.968 0.000 . 3 . . . A 14 PHE CE1 . 18300 1
123 . 1 1 14 14 PHE CE2 C 13 128.968 0.000 . 3 . . . A 14 PHE CE2 . 18300 1
124 . 1 1 14 14 PHE CZ C 13 130.602 0.000 . 1 . . . A 14 PHE CZ . 18300 1
125 . 1 1 15 15 TYR H H 1 8.605 0.001 . 1 . . . A 15 TYR H . 18300 1
126 . 1 1 15 15 TYR HA H 1 4.821 0.002 . 1 . . . A 15 TYR HA . 18300 1
127 . 1 1 15 15 TYR HB2 H 1 2.507 0.002 . 1 . . . A 15 TYR HB2 . 18300 1
128 . 1 1 15 15 TYR HB3 H 1 3.204 0.003 . 1 . . . A 15 TYR HB3 . 18300 1
129 . 1 1 15 15 TYR HD1 H 1 7.108 0.001 . 3 . . . A 15 TYR HD1 . 18300 1
130 . 1 1 15 15 TYR HD2 H 1 7.108 0.001 . 3 . . . A 15 TYR HD2 . 18300 1
131 . 1 1 15 15 TYR HE1 H 1 6.5 0.001 . 3 . . . A 15 TYR HE1 . 18300 1
132 . 1 1 15 15 TYR HE2 H 1 6.5 0.001 . 3 . . . A 15 TYR HE2 . 18300 1
133 . 1 1 15 15 TYR CA C 13 57.446 0.000 . 1 . . . A 15 TYR CA . 18300 1
134 . 1 1 15 15 TYR CB C 13 39.031 0.004 . 1 . . . A 15 TYR CB . 18300 1
135 . 1 1 15 15 TYR CD1 C 13 132.676 0.000 . 3 . . . A 15 TYR CD1 . 18300 1
136 . 1 1 15 15 TYR CD2 C 13 132.676 0.000 . 3 . . . A 15 TYR CD2 . 18300 1
137 . 1 1 15 15 TYR CE1 C 13 117.288 0.000 . 3 . . . A 15 TYR CE1 . 18300 1
138 . 1 1 15 15 TYR CE2 C 13 117.288 0.000 . 3 . . . A 15 TYR CE2 . 18300 1
139 . 1 1 16 16 PRO HA H 1 4.267 0.001 . 1 . . . A 16 PRO HA . 18300 1
140 . 1 1 16 16 PRO HB2 H 1 2.205 0.001 . 1 . . . A 16 PRO HB2 . 18300 1
141 . 1 1 16 16 PRO HB3 H 1 2.205 0.001 . 1 . . . A 16 PRO HB3 . 18300 1
142 . 1 1 16 16 PRO HG2 H 1 1.697 0.002 . 1 . . . A 16 PRO HG2 . 18300 1
143 . 1 1 16 16 PRO HG3 H 1 1.697 0.002 . 1 . . . A 16 PRO HG3 . 18300 1
144 . 1 1 16 16 PRO HD2 H 1 3.246 0.001 . 1 . . . A 16 PRO HD2 . 18300 1
145 . 1 1 16 16 PRO HD3 H 1 3.71 0.002 . 1 . . . A 16 PRO HD3 . 18300 1
146 . 1 1 16 16 PRO CA C 13 62.374 0.000 . 1 . . . A 16 PRO CA . 18300 1
147 . 1 1 16 16 PRO CB C 13 31.993 0.000 . 1 . . . A 16 PRO CB . 18300 1
148 . 1 1 16 16 PRO CG C 13 26.462 0.000 . 1 . . . A 16 PRO CG . 18300 1
149 . 1 1 16 16 PRO CD C 13 49.109 0.020 . 1 . . . A 16 PRO CD . 18300 1
150 . 1 1 17 17 CYS H H 1 8.138 0.001 . 1 . . . A 17 CYS H . 18300 1
151 . 1 1 17 17 CYS HA H 1 4.841 0.002 . 1 . . . A 17 CYS HA . 18300 1
152 . 1 1 17 17 CYS HB2 H 1 2.294 0.002 . 1 . . . A 17 CYS HB2 . 18300 1
153 . 1 1 17 17 CYS HB3 H 1 2.294 0.002 . 1 . . . A 17 CYS HB3 . 18300 1
154 . 1 1 17 17 CYS CA C 13 55.895 0.000 . 1 . . . A 17 CYS CA . 18300 1
155 . 1 1 17 17 CYS CB C 13 40.665 0.000 . 1 . . . A 17 CYS CB . 18300 1
156 . 1 1 18 18 CYS H H 1 9.645 0.002 . 1 . . . A 18 CYS H . 18300 1
157 . 1 1 18 18 CYS HA H 1 4.516 0.001 . 1 . . . A 18 CYS HA . 18300 1
158 . 1 1 18 18 CYS HB2 H 1 3.027 0.003 . 1 . . . A 18 CYS HB2 . 18300 1
159 . 1 1 18 18 CYS HB3 H 1 2.18 0.003 . 1 . . . A 18 CYS HB3 . 18300 1
160 . 1 1 18 18 CYS CA C 13 53.001 0.000 . 1 . . . A 18 CYS CA . 18300 1
161 . 1 1 18 18 CYS CB C 13 38.709 0.000 . 1 . . . A 18 CYS CB . 18300 1
162 . 1 1 19 19 PRO HA H 1 4.466 0.001 . 1 . . . A 19 PRO HA . 18300 1
163 . 1 1 19 19 PRO HB2 H 1 2.29 0.001 . 1 . . . A 19 PRO HB2 . 18300 1
164 . 1 1 19 19 PRO HB3 H 1 2.29 0.001 . 1 . . . A 19 PRO HB3 . 18300 1
165 . 1 1 19 19 PRO HG2 H 1 1.989 0.004 . 1 . . . A 19 PRO HG2 . 18300 1
166 . 1 1 19 19 PRO HG3 H 1 1.989 0.004 . 1 . . . A 19 PRO HG3 . 18300 1
167 . 1 1 19 19 PRO HD2 H 1 3.734 0.001 . 1 . . . A 19 PRO HD2 . 18300 1
168 . 1 1 19 19 PRO HD3 H 1 3.85 0.002 . 1 . . . A 19 PRO HD3 . 18300 1
169 . 1 1 19 19 PRO CA C 13 63.016 0.000 . 1 . . . A 19 PRO CA . 18300 1
170 . 1 1 19 19 PRO CB C 13 32.092 0.000 . 1 . . . A 19 PRO CB . 18300 1
171 . 1 1 19 19 PRO CG C 13 32.082 0.000 . 1 . . . A 19 PRO CG . 18300 1
172 . 1 1 19 19 PRO CD C 13 50.502 0.000 . 1 . . . A 19 PRO CD . 18300 1
173 . 1 1 20 20 GLY H H 1 8.51 0.001 . 1 . . . A 20 GLY H . 18300 1
174 . 1 1 20 20 GLY HA2 H 1 3.735 0.002 . 1 . . . A 20 GLY HA2 . 18300 1
175 . 1 1 20 20 GLY HA3 H 1 3.977 0.001 . 1 . . . A 20 GLY HA3 . 18300 1
176 . 1 1 20 20 GLY CA C 13 45.816 0.005 . 1 . . . A 20 GLY CA . 18300 1
177 . 1 1 21 21 LEU H H 1 7.616 0.001 . 1 . . . A 21 LEU H . 18300 1
178 . 1 1 21 21 LEU HA H 1 4.604 0.001 . 1 . . . A 21 LEU HA . 18300 1
179 . 1 1 21 21 LEU HB2 H 1 1.452 0.003 . 1 . . . A 21 LEU HB2 . 18300 1
180 . 1 1 21 21 LEU HB3 H 1 1.835 0.005 . 1 . . . A 21 LEU HB3 . 18300 1
181 . 1 1 21 21 LEU HG H 1 1.605 0.006 . 1 . . . A 21 LEU HG . 18300 1
182 . 1 1 21 21 LEU HD11 H 1 0.932 0.002 . 1 . . . A 21 LEU HD11 . 18300 1
183 . 1 1 21 21 LEU HD12 H 1 0.932 0.002 . 1 . . . A 21 LEU HD12 . 18300 1
184 . 1 1 21 21 LEU HD13 H 1 0.932 0.002 . 1 . . . A 21 LEU HD13 . 18300 1
185 . 1 1 21 21 LEU HD21 H 1 0.917 0.001 . 1 . . . A 21 LEU HD21 . 18300 1
186 . 1 1 21 21 LEU HD22 H 1 0.917 0.001 . 1 . . . A 21 LEU HD22 . 18300 1
187 . 1 1 21 21 LEU HD23 H 1 0.917 0.001 . 1 . . . A 21 LEU HD23 . 18300 1
188 . 1 1 21 21 LEU CA C 13 53.91 0.000 . 1 . . . A 21 LEU CA . 18300 1
189 . 1 1 21 21 LEU CB C 13 43.924 0.010 . 1 . . . A 21 LEU CB . 18300 1
190 . 1 1 21 21 LEU CG C 13 27.006 0.000 . 1 . . . A 21 LEU CG . 18300 1
191 . 1 1 21 21 LEU CD1 C 13 26.097 0.000 . 1 . . . A 21 LEU CD1 . 18300 1
192 . 1 1 21 21 LEU CD2 C 13 22.097 0.000 . 1 . . . A 21 LEU CD2 . 18300 1
193 . 1 1 22 22 GLY H H 1 8.351 0.001 . 1 . . . A 22 GLY H . 18300 1
194 . 1 1 22 22 GLY HA2 H 1 3.649 0.002 . 1 . . . A 22 GLY HA2 . 18300 1
195 . 1 1 22 22 GLY HA3 H 1 4.162 0.001 . 1 . . . A 22 GLY HA3 . 18300 1
196 . 1 1 22 22 GLY CA C 13 46.28 0.005 . 1 . . . A 22 GLY CA . 18300 1
197 . 1 1 23 23 LEU H H 1 7.695 0.001 . 1 . . . A 23 LEU H . 18300 1
198 . 1 1 23 23 LEU HA H 1 4.927 0.002 . 1 . . . A 23 LEU HA . 18300 1
199 . 1 1 23 23 LEU HB2 H 1 1.325 0.002 . 1 . . . A 23 LEU HB2 . 18300 1
200 . 1 1 23 23 LEU HB3 H 1 1.816 0.002 . 1 . . . A 23 LEU HB3 . 18300 1
201 . 1 1 23 23 LEU HG H 1 1.568 0.006 . 1 . . . A 23 LEU HG . 18300 1
202 . 1 1 23 23 LEU HD11 H 1 0.959 0.002 . 1 . . . A 23 LEU HD11 . 18300 1
203 . 1 1 23 23 LEU HD12 H 1 0.959 0.002 . 1 . . . A 23 LEU HD12 . 18300 1
204 . 1 1 23 23 LEU HD13 H 1 0.959 0.002 . 1 . . . A 23 LEU HD13 . 18300 1
205 . 1 1 23 23 LEU HD21 H 1 0.493 0.001 . 1 . . . A 23 LEU HD21 . 18300 1
206 . 1 1 23 23 LEU HD22 H 1 0.493 0.001 . 1 . . . A 23 LEU HD22 . 18300 1
207 . 1 1 23 23 LEU HD23 H 1 0.493 0.001 . 1 . . . A 23 LEU HD23 . 18300 1
208 . 1 1 23 23 LEU CA C 13 50.764 0.000 . 1 . . . A 23 LEU CA . 18300 1
209 . 1 1 23 23 LEU CB C 13 44.26 0.000 . 1 . . . A 23 LEU CB . 18300 1
210 . 1 1 23 23 LEU CG C 13 26.25 0.000 . 1 . . . A 23 LEU CG . 18300 1
211 . 1 1 23 23 LEU CD1 C 13 26.364 0.000 . 1 . . . A 23 LEU CD1 . 18300 1
212 . 1 1 23 23 LEU CD2 C 13 22.857 0.000 . 1 . . . A 23 LEU CD2 . 18300 1
213 . 1 1 24 24 THR H H 1 9.043 0.001 . 1 . . . A 24 THR H . 18300 1
214 . 1 1 24 24 THR HA H 1 4.37 0.001 . 1 . . . A 24 THR HA . 18300 1
215 . 1 1 24 24 THR HB H 1 3.842 0.000 . 1 . . . A 24 THR HB . 18300 1
216 . 1 1 24 24 THR HG21 H 1 1.135 0.001 . 1 . . . A 24 THR HG21 . 18300 1
217 . 1 1 24 24 THR HG22 H 1 1.135 0.001 . 1 . . . A 24 THR HG22 . 18300 1
218 . 1 1 24 24 THR HG23 H 1 1.135 0.001 . 1 . . . A 24 THR HG23 . 18300 1
219 . 1 1 24 24 THR CA C 13 60.616 0.000 . 1 . . . A 24 THR CA . 18300 1
220 . 1 1 24 24 THR CB C 13 70.621 0.000 . 1 . . . A 24 THR CB . 18300 1
221 . 1 1 24 24 THR CG2 C 13 20.625 0.000 . 1 . . . A 24 THR CG2 . 18300 1
222 . 1 1 25 25 CYS H H 1 8.099 0.001 . 1 . . . A 25 CYS H . 18300 1
223 . 1 1 25 25 CYS HA H 1 4.697 0.002 . 1 . . . A 25 CYS HA . 18300 1
224 . 1 1 25 25 CYS HB2 H 1 3.156 0.001 . 1 . . . A 25 CYS HB2 . 18300 1
225 . 1 1 25 25 CYS HB3 H 1 2.783 0.001 . 1 . . . A 25 CYS HB3 . 18300 1
226 . 1 1 25 25 CYS CA C 13 54.828 0.000 . 1 . . . A 25 CYS CA . 18300 1
227 . 1 1 25 25 CYS CB C 13 40.389 0.000 . 1 . . . A 25 CYS CB . 18300 1
228 . 1 1 26 26 ILE H H 1 8.555 0.002 . 1 . . . A 26 ILE H . 18300 1
229 . 1 1 26 26 ILE HA H 1 4.628 0.002 . 1 . . . A 26 ILE HA . 18300 1
230 . 1 1 26 26 ILE HB H 1 2.085 0.002 . 1 . . . A 26 ILE HB . 18300 1
231 . 1 1 26 26 ILE HG12 H 1 1.181 0.002 . 1 . . . A 26 ILE HG12 . 18300 1
232 . 1 1 26 26 ILE HG13 H 1 1.637 0.002 . 1 . . . A 26 ILE HG13 . 18300 1
233 . 1 1 26 26 ILE HG21 H 1 0.847 0.001 . 1 . . . A 26 ILE HG21 . 18300 1
234 . 1 1 26 26 ILE HG22 H 1 0.847 0.001 . 1 . . . A 26 ILE HG22 . 18300 1
235 . 1 1 26 26 ILE HG23 H 1 0.847 0.001 . 1 . . . A 26 ILE HG23 . 18300 1
236 . 1 1 26 26 ILE HD11 H 1 0.717 0.001 . 1 . . . A 26 ILE HD11 . 18300 1
237 . 1 1 26 26 ILE HD12 H 1 0.717 0.001 . 1 . . . A 26 ILE HD12 . 18300 1
238 . 1 1 26 26 ILE HD13 H 1 0.717 0.001 . 1 . . . A 26 ILE HD13 . 18300 1
239 . 1 1 26 26 ILE CA C 13 56.991 0.000 . 1 . . . A 26 ILE CA . 18300 1
240 . 1 1 26 26 ILE CB C 13 41.001 0.000 . 1 . . . A 26 ILE CB . 18300 1
241 . 1 1 26 26 ILE CG1 C 13 26.665 0.000 . 1 . . . A 26 ILE CG1 . 18300 1
242 . 1 1 26 26 ILE CG2 C 13 15.993 0.000 . 1 . . . A 26 ILE CG2 . 18300 1
243 . 1 1 26 26 ILE CD1 C 13 11.909 0.000 . 1 . . . A 26 ILE CD1 . 18300 1
244 . 1 1 27 27 PRO HA H 1 4.543 0.001 . 1 . . . A 27 PRO HA . 18300 1
245 . 1 1 27 27 PRO HB2 H 1 2.394 0.000 . 1 . . . A 27 PRO HB2 . 18300 1
246 . 1 1 27 27 PRO HB3 H 1 2.139 0.002 . 1 . . . A 27 PRO HB3 . 18300 1
247 . 1 1 27 27 PRO HG2 H 1 1.95 0.002 . 1 . . . A 27 PRO HG2 . 18300 1
248 . 1 1 27 27 PRO HG3 H 1 2.393 0.001 . 1 . . . A 27 PRO HG3 . 18300 1
249 . 1 1 27 27 PRO HD2 H 1 3.695 0.002 . 1 . . . A 27 PRO HD2 . 18300 1
250 . 1 1 27 27 PRO HD3 H 1 4.142 0.002 . 1 . . . A 27 PRO HD3 . 18300 1
251 . 1 1 27 27 PRO CA C 13 64.33 0.000 . 1 . . . A 27 PRO CA . 18300 1
252 . 1 1 27 27 PRO CB C 13 33.85 0.000 . 1 . . . A 27 PRO CB . 18300 1
253 . 1 1 27 27 PRO CG C 13 25.257 0.000 . 1 . . . A 27 PRO CG . 18300 1
254 . 1 1 27 27 PRO CD C 13 49.86 0.010 . 1 . . . A 27 PRO CD . 18300 1
255 . 1 1 28 28 GLY H H 1 7.88 0.001 . 1 . . . A 28 GLY H . 18300 1
256 . 1 1 28 28 GLY HA2 H 1 3.061 0.001 . 1 . . . A 28 GLY HA2 . 18300 1
257 . 1 1 28 28 GLY HA3 H 1 3.632 0.001 . 1 . . . A 28 GLY HA3 . 18300 1
258 . 1 1 28 28 GLY CA C 13 47.075 0.000 . 1 . . . A 28 GLY CA . 18300 1
259 . 1 1 29 29 ASN H H 1 7.996 0.001 . 1 . . . A 29 ASN H . 18300 1
260 . 1 1 29 29 ASN HA H 1 5.021 0.001 . 1 . . . A 29 ASN HA . 18300 1
261 . 1 1 29 29 ASN HB2 H 1 2.246 0.001 . 1 . . . A 29 ASN HB2 . 18300 1
262 . 1 1 29 29 ASN HB3 H 1 3.012 0.002 . 1 . . . A 29 ASN HB3 . 18300 1
263 . 1 1 29 29 ASN HD21 H 1 6.998 0.001 . 1 . . . A 29 ASN HD21 . 18300 1
264 . 1 1 29 29 ASN HD22 H 1 7.662 0.001 . 1 . . . A 29 ASN HD22 . 18300 1
265 . 1 1 29 29 ASN CA C 13 50.907 0.000 . 1 . . . A 29 ASN CA . 18300 1
266 . 1 1 29 29 ASN CB C 13 38.69 0.000 . 1 . . . A 29 ASN CB . 18300 1
267 . 1 1 30 30 PRO HA H 1 4.354 0.001 . 1 . . . A 30 PRO HA . 18300 1
268 . 1 1 30 30 PRO HB2 H 1 2.125 0.001 . 1 . . . A 30 PRO HB2 . 18300 1
269 . 1 1 30 30 PRO HB3 H 1 2.046 0.004 . 1 . . . A 30 PRO HB3 . 18300 1
270 . 1 1 30 30 PRO HG2 H 1 1.754 0.002 . 1 . . . A 30 PRO HG2 . 18300 1
271 . 1 1 30 30 PRO HG3 H 1 2.016 0.001 . 1 . . . A 30 PRO HG3 . 18300 1
272 . 1 1 30 30 PRO HD2 H 1 3.563 0.002 . 1 . . . A 30 PRO HD2 . 18300 1
273 . 1 1 30 30 PRO HD3 H 1 3.563 0.002 . 1 . . . A 30 PRO HD3 . 18300 1
274 . 1 1 30 30 PRO CA C 13 63.52 0.000 . 1 . . . A 30 PRO CA . 18300 1
275 . 1 1 30 30 PRO CB C 13 34.734 0.005 . 1 . . . A 30 PRO CB . 18300 1
276 . 1 1 30 30 PRO CG C 13 23.584 0.019 . 1 . . . A 30 PRO CG . 18300 1
277 . 1 1 30 30 PRO CD C 13 50.038 0.000 . 1 . . . A 30 PRO CD . 18300 1
278 . 1 1 31 31 ASP H H 1 8.148 0.002 . 1 . . . A 31 ASP H . 18300 1
279 . 1 1 31 31 ASP HA H 1 5.861 0.002 . 1 . . . A 31 ASP HA . 18300 1
280 . 1 1 31 31 ASP HB2 H 1 2.998 0.001 . 1 . . . A 31 ASP HB2 . 18300 1
281 . 1 1 31 31 ASP HB3 H 1 3.069 0.006 . 1 . . . A 31 ASP HB3 . 18300 1
282 . 1 1 31 31 ASP CA C 13 52.483 0.000 . 1 . . . A 31 ASP CA . 18300 1
283 . 1 1 31 31 ASP CB C 13 40.028 0.005 . 1 . . . A 31 ASP CB . 18300 1
284 . 1 1 32 32 GLY H H 1 8.459 0.001 . 1 . . . A 32 GLY H . 18300 1
285 . 1 1 32 32 GLY HA2 H 1 3.767 0.001 . 1 . . . A 32 GLY HA2 . 18300 1
286 . 1 1 32 32 GLY HA3 H 1 4.147 0.001 . 1 . . . A 32 GLY HA3 . 18300 1
287 . 1 1 32 32 GLY CA C 13 47.046 0.009 . 1 . . . A 32 GLY CA . 18300 1
288 . 1 1 33 33 THR H H 1 8.667 0.001 . 1 . . . A 33 THR H . 18300 1
289 . 1 1 33 33 THR HA H 1 4.835 0.004 . 1 . . . A 33 THR HA . 18300 1
290 . 1 1 33 33 THR HB H 1 3.703 0.002 . 1 . . . A 33 THR HB . 18300 1
291 . 1 1 33 33 THR HG21 H 1 0.792 0.001 . 1 . . . A 33 THR HG21 . 18300 1
292 . 1 1 33 33 THR HG22 H 1 0.792 0.001 . 1 . . . A 33 THR HG22 . 18300 1
293 . 1 1 33 33 THR HG23 H 1 0.792 0.001 . 1 . . . A 33 THR HG23 . 18300 1
294 . 1 1 33 33 THR CA C 13 61.752 0.000 . 1 . . . A 33 THR CA . 18300 1
295 . 1 1 33 33 THR CB C 13 71.796 0.000 . 1 . . . A 33 THR CB . 18300 1
296 . 1 1 33 33 THR CG2 C 13 21.114 0.000 . 1 . . . A 33 THR CG2 . 18300 1
297 . 1 1 34 34 CYS H H 1 8.253 0.001 . 1 . . . A 34 CYS H . 18300 1
298 . 1 1 34 34 CYS HA H 1 5.129 0.002 . 1 . . . A 34 CYS HA . 18300 1
299 . 1 1 34 34 CYS HB2 H 1 3.316 0.002 . 1 . . . A 34 CYS HB2 . 18300 1
300 . 1 1 34 34 CYS HB3 H 1 2.597 0.003 . 1 . . . A 34 CYS HB3 . 18300 1
301 . 1 1 34 34 CYS CA C 13 56.349 0.000 . 1 . . . A 34 CYS CA . 18300 1
302 . 1 1 34 34 CYS CB C 13 42.033 0.035 . 1 . . . A 34 CYS CB . 18300 1
303 . 1 1 35 35 TYR H H 1 9.299 0.001 . 1 . . . A 35 TYR H . 18300 1
304 . 1 1 35 35 TYR HA H 1 4.856 0.000 . 1 . . . A 35 TYR HA . 18300 1
305 . 1 1 35 35 TYR HB2 H 1 2.603 0.001 . 1 . . . A 35 TYR HB2 . 18300 1
306 . 1 1 35 35 TYR HB3 H 1 3.075 0.001 . 1 . . . A 35 TYR HB3 . 18300 1
307 . 1 1 35 35 TYR HD1 H 1 7.189 0.001 . 3 . . . A 35 TYR HD1 . 18300 1
308 . 1 1 35 35 TYR HD2 H 1 7.189 0.001 . 3 . . . A 35 TYR HD2 . 18300 1
309 . 1 1 35 35 TYR HE1 H 1 6.696 0.002 . 3 . . . A 35 TYR HE1 . 18300 1
310 . 1 1 35 35 TYR HE2 H 1 6.696 0.002 . 3 . . . A 35 TYR HE2 . 18300 1
311 . 1 1 35 35 TYR CA C 13 56.725 0.000 . 1 . . . A 35 TYR CA . 18300 1
312 . 1 1 35 35 TYR CB C 13 42.482 0.000 . 1 . . . A 35 TYR CB . 18300 1
313 . 1 1 35 35 TYR CD1 C 13 133.032 0.000 . 3 . . . A 35 TYR CD1 . 18300 1
314 . 1 1 35 35 TYR CD2 C 13 133.032 0.000 . 3 . . . A 35 TYR CD2 . 18300 1
315 . 1 1 35 35 TYR CE1 C 13 117.229 0.000 . 3 . . . A 35 TYR CE1 . 18300 1
316 . 1 1 35 35 TYR CE2 C 13 117.229 0.000 . 3 . . . A 35 TYR CE2 . 18300 1
317 . 1 1 36 36 TYR H H 1 8.548 0.001 . 1 . . . A 36 TYR H . 18300 1
318 . 1 1 36 36 TYR HA H 1 4.827 0.004 . 1 . . . A 36 TYR HA . 18300 1
319 . 1 1 36 36 TYR HB2 H 1 2.743 0.003 . 1 . . . A 36 TYR HB2 . 18300 1
320 . 1 1 36 36 TYR HB3 H 1 3.032 0.001 . 1 . . . A 36 TYR HB3 . 18300 1
321 . 1 1 36 36 TYR HD1 H 1 7.147 0.001 . 3 . . . A 36 TYR HD1 . 18300 1
322 . 1 1 36 36 TYR HD2 H 1 7.147 0.001 . 3 . . . A 36 TYR HD2 . 18300 1
323 . 1 1 36 36 TYR HE1 H 1 6.772 0.001 . 3 . . . A 36 TYR HE1 . 18300 1
324 . 1 1 36 36 TYR HE2 H 1 6.772 0.001 . 3 . . . A 36 TYR HE2 . 18300 1
325 . 1 1 36 36 TYR CA C 13 58.241 0.000 . 1 . . . A 36 TYR CA . 18300 1
326 . 1 1 36 36 TYR CB C 13 39.095 0.000 . 1 . . . A 36 TYR CB . 18300 1
327 . 1 1 36 36 TYR CD1 C 13 133.012 0.000 . 3 . . . A 36 TYR CD1 . 18300 1
328 . 1 1 36 36 TYR CD2 C 13 133.012 0.000 . 3 . . . A 36 TYR CD2 . 18300 1
329 . 1 1 36 36 TYR CE1 C 13 117.762 0.000 . 3 . . . A 36 TYR CE1 . 18300 1
330 . 1 1 36 36 TYR CE2 C 13 117.762 0.000 . 3 . . . A 36 TYR CE2 . 18300 1
331 . 1 1 37 37 LEU H H 1 8.345 0.001 . 1 . . . A 37 LEU H . 18300 1
332 . 1 1 37 37 LEU HA H 1 4.275 0.001 . 1 . . . A 37 LEU HA . 18300 1
333 . 1 1 37 37 LEU HB2 H 1 1.567 0.000 . 1 . . . A 37 LEU HB2 . 18300 1
334 . 1 1 37 37 LEU HB3 H 1 1.567 0.000 . 1 . . . A 37 LEU HB3 . 18300 1
335 . 1 1 37 37 LEU HG H 1 1.571 0.001 . 1 . . . A 37 LEU HG . 18300 1
336 . 1 1 37 37 LEU HD11 H 1 0.873 0.006 . 1 . . . A 37 LEU HD11 . 18300 1
337 . 1 1 37 37 LEU HD12 H 1 0.873 0.006 . 1 . . . A 37 LEU HD12 . 18300 1
338 . 1 1 37 37 LEU HD13 H 1 0.873 0.006 . 1 . . . A 37 LEU HD13 . 18300 1
339 . 1 1 37 37 LEU HD21 H 1 0.873 0.006 . 1 . . . A 37 LEU HD21 . 18300 1
340 . 1 1 37 37 LEU HD22 H 1 0.873 0.006 . 1 . . . A 37 LEU HD22 . 18300 1
341 . 1 1 37 37 LEU HD23 H 1 0.873 0.006 . 1 . . . A 37 LEU HD23 . 18300 1
342 . 1 1 37 37 LEU CA C 13 57.416 0.000 . 1 . . . A 37 LEU CA . 18300 1
343 . 1 1 37 37 LEU CB C 13 42.947 0.000 . 1 . . . A 37 LEU CB . 18300 1
344 . 1 1 37 37 LEU CG C 13 26.29 0.000 . 1 . . . A 37 LEU CG . 18300 1
345 . 1 1 37 37 LEU CD1 C 13 24.536 0.000 . 1 . . . A 37 LEU CD1 . 18300 1
346 . 1 1 37 37 LEU CD2 C 13 23.569 0.000 . 1 . . . A 37 LEU CD2 . 18300 1
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