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 25585
_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_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 1H-15N HSQC' . . . 25585 1
2 '2D 1H-13C HSQC' . . . 25585 1
3 '2D 1H-1H TOCSY' . . . 25585 1
4 '2D DQF-COSY' . . . 25585 1
5 '2D 1H-1H NOESY' . . . 25585 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 59.226 0.000 . 1 . . . A 1 PCA CA . 25585 1
2 . 1 1 1 1 PCA CB C 13 27.550 0.008 . 1 . . . A 1 PCA CB . 25585 1
3 . 1 1 1 1 PCA CG C 13 31.534 0.005 . 1 . . . A 1 PCA CG . 25585 1
4 . 1 1 1 1 PCA HA H 1 3.607 0.005 . 1 . . . A 1 PCA HA . 25585 1
5 . 1 1 1 1 PCA HB2 H 1 1.966 0.007 . 2 . . . A 1 PCA HB2 . 25585 1
6 . 1 1 1 1 PCA HB3 H 1 1.287 0.005 . 2 . . . A 1 PCA HB3 . 25585 1
7 . 1 1 1 1 PCA HG2 H 1 1.926 0.001 . 2 . . . A 1 PCA HG2 . 25585 1
8 . 1 1 1 1 PCA HG3 H 1 1.666 0.006 . 2 . . . A 1 PCA HG3 . 25585 1
9 . 1 1 1 1 PCA N N 15 124.827 0.000 . 1 . . . A 1 PCA N . 25585 1
10 . 1 1 2 2 TRP H H 1 8.039 0.002 . 1 . . . A 2 TRP H . 25585 1
11 . 1 1 2 2 TRP HA H 1 4.554 0.004 . 1 . . . A 2 TRP HA . 25585 1
12 . 1 1 2 2 TRP HB2 H 1 3.171 0.002 . 2 . . . A 2 TRP HB2 . 25585 1
13 . 1 1 2 2 TRP HB3 H 1 3.109 0.002 . 2 . . . A 2 TRP HB3 . 25585 1
14 . 1 1 2 2 TRP HD1 H 1 7.176 0.003 . 1 . . . A 2 TRP HD1 . 25585 1
15 . 1 1 2 2 TRP HE1 H 1 10.001 0.000 . 1 . . . A 2 TRP HE1 . 25585 1
16 . 1 1 2 2 TRP HE3 H 1 7.458 0.003 . 1 . . . A 2 TRP HE3 . 25585 1
17 . 1 1 2 2 TRP HZ2 H 1 7.433 0.003 . 1 . . . A 2 TRP HZ2 . 25585 1
18 . 1 1 2 2 TRP HZ3 H 1 7.042 0.003 . 1 . . . A 2 TRP HZ3 . 25585 1
19 . 1 1 2 2 TRP HH2 H 1 7.179 0.003 . 1 . . . A 2 TRP HH2 . 25585 1
20 . 1 1 2 2 TRP CA C 13 57.851 0.000 . 1 . . . A 2 TRP CA . 25585 1
21 . 1 1 2 2 TRP CB C 13 29.814 0.002 . 1 . . . A 2 TRP CB . 25585 1
22 . 1 1 2 2 TRP CD1 C 13 127.066 0.000 . 1 . . . A 2 TRP CD1 . 25585 1
23 . 1 1 2 2 TRP CE3 C 13 120.664 0.000 . 1 . . . A 2 TRP CE3 . 25585 1
24 . 1 1 2 2 TRP CZ2 C 13 114.196 0.000 . 1 . . . A 2 TRP CZ2 . 25585 1
25 . 1 1 2 2 TRP CZ3 C 13 121.863 0.000 . 1 . . . A 2 TRP CZ3 . 25585 1
26 . 1 1 2 2 TRP CH2 C 13 124.270 0.000 . 1 . . . A 2 TRP CH2 . 25585 1
27 . 1 1 2 2 TRP N N 15 121.278 0.000 . 1 . . . A 2 TRP N . 25585 1
28 . 1 1 2 2 TRP NE1 N 15 129.133 0.000 . 1 . . . A 2 TRP NE1 . 25585 1
29 . 1 1 3 3 CYS H H 1 7.958 0.004 . 1 . . . A 3 CYS H . 25585 1
30 . 1 1 3 3 CYS HA H 1 4.799 0.003 . 1 . . . A 3 CYS HA . 25585 1
31 . 1 1 3 3 CYS HB2 H 1 2.446 0.002 . 2 . . . A 3 CYS HB2 . 25585 1
32 . 1 1 3 3 CYS HB3 H 1 3.028 0.003 . 2 . . . A 3 CYS HB3 . 25585 1
33 . 1 1 3 3 CYS CA C 13 51.792 0.000 . 1 . . . A 3 CYS CA . 25585 1
34 . 1 1 3 3 CYS CB C 13 42.170 0.062 . 1 . . . A 3 CYS CB . 25585 1
35 . 1 1 3 3 CYS N N 15 120.614 0.000 . 1 . . . A 3 CYS N . 25585 1
36 . 1 1 4 4 GLN H H 1 8.737 0.002 . 1 . . . A 4 GLN H . 25585 1
37 . 1 1 4 4 GLN HA H 1 4.180 0.001 . 1 . . . A 4 GLN HA . 25585 1
38 . 1 1 4 4 GLN HB2 H 1 1.749 0.006 . 2 . . . A 4 GLN HB2 . 25585 1
39 . 1 1 4 4 GLN HB3 H 1 2.022 0.005 . 2 . . . A 4 GLN HB3 . 25585 1
40 . 1 1 4 4 GLN HG2 H 1 2.216 0.003 . 2 . . . A 4 GLN HG2 . 25585 1
41 . 1 1 4 4 GLN HG3 H 1 2.116 0.004 . 2 . . . A 4 GLN HG3 . 25585 1
42 . 1 1 4 4 GLN HE21 H 1 6.746 0.001 . 1 . . . A 4 GLN HE21 . 25585 1
43 . 1 1 4 4 GLN HE22 H 1 7.175 0.001 . 1 . . . A 4 GLN HE22 . 25585 1
44 . 1 1 4 4 GLN CA C 13 54.557 0.000 . 1 . . . A 4 GLN CA . 25585 1
45 . 1 1 4 4 GLN CB C 13 27.191 0.003 . 1 . . . A 4 GLN CB . 25585 1
46 . 1 1 4 4 GLN CG C 13 33.408 0.001 . 1 . . . A 4 GLN CG . 25585 1
47 . 1 1 4 4 GLN N N 15 121.450 0.000 . 1 . . . A 4 GLN N . 25585 1
48 . 1 1 4 4 GLN NE2 N 15 112.184 0.006 . 1 . . . A 4 GLN NE2 . 25585 1
49 . 1 1 5 5 PRO HA H 1 4.409 0.003 . 1 . . . A 5 PRO HA . 25585 1
50 . 1 1 5 5 PRO HB2 H 1 2.398 0.001 . 2 . . . A 5 PRO HB2 . 25585 1
51 . 1 1 5 5 PRO HB3 H 1 1.924 0.003 . 2 . . . A 5 PRO HB3 . 25585 1
52 . 1 1 5 5 PRO HG2 H 1 2.072 0.002 . 2 . . . A 5 PRO HG2 . 25585 1
53 . 1 1 5 5 PRO HG3 H 1 2.204 0.001 . 2 . . . A 5 PRO HG3 . 25585 1
54 . 1 1 5 5 PRO HD2 H 1 3.682 0.003 . 2 . . . A 5 PRO HD2 . 25585 1
55 . 1 1 5 5 PRO HD3 H 1 3.848 0.003 . 2 . . . A 5 PRO HD3 . 25585 1
56 . 1 1 5 5 PRO CA C 13 64.354 0.000 . 1 . . . A 5 PRO CA . 25585 1
57 . 1 1 5 5 PRO CB C 13 31.710 0.005 . 1 . . . A 5 PRO CB . 25585 1
58 . 1 1 5 5 PRO CG C 13 28.279 0.006 . 1 . . . A 5 PRO CG . 25585 1
59 . 1 1 5 5 PRO CD C 13 50.313 0.003 . 1 . . . A 5 PRO CD . 25585 1
60 . 1 1 6 6 GLY H H 1 8.948 0.002 . 1 . . . A 6 GLY H . 25585 1
61 . 1 1 6 6 GLY HA2 H 1 4.178 0.003 . 2 . . . A 6 GLY HA2 . 25585 1
62 . 1 1 6 6 GLY HA3 H 1 3.563 0.007 . 2 . . . A 6 GLY HA3 . 25585 1
63 . 1 1 6 6 GLY CA C 13 45.063 0.013 . 1 . . . A 6 GLY CA . 25585 1
64 . 1 1 6 6 GLY N N 15 111.865 0.000 . 1 . . . A 6 GLY N . 25585 1
65 . 1 1 7 7 TYR H H 1 8.300 0.003 . 1 . . . A 7 TYR H . 25585 1
66 . 1 1 7 7 TYR HA H 1 5.057 0.004 . 1 . . . A 7 TYR HA . 25585 1
67 . 1 1 7 7 TYR HB2 H 1 2.424 0.006 . 2 . . . A 7 TYR HB2 . 25585 1
68 . 1 1 7 7 TYR HB3 H 1 3.376 0.003 . 2 . . . A 7 TYR HB3 . 25585 1
69 . 1 1 7 7 TYR HD1 H 1 6.709 0.002 . 3 . . . A 7 TYR HD1 . 25585 1
70 . 1 1 7 7 TYR HD2 H 1 6.709 0.002 . 3 . . . A 7 TYR HD2 . 25585 1
71 . 1 1 7 7 TYR HE1 H 1 6.710 0.004 . 3 . . . A 7 TYR HE1 . 25585 1
72 . 1 1 7 7 TYR HE2 H 1 6.710 0.004 . 3 . . . A 7 TYR HE2 . 25585 1
73 . 1 1 7 7 TYR CA C 13 56.393 0.000 . 1 . . . A 7 TYR CA . 25585 1
74 . 1 1 7 7 TYR CB C 13 41.345 0.001 . 1 . . . A 7 TYR CB . 25585 1
75 . 1 1 7 7 TYR CD1 C 13 132.523 0.000 . 3 . . . A 7 TYR CD1 . 25585 1
76 . 1 1 7 7 TYR CD2 C 13 132.523 0.000 . 3 . . . A 7 TYR CD2 . 25585 1
77 . 1 1 7 7 TYR CE1 C 13 117.874 0.000 . 3 . . . A 7 TYR CE1 . 25585 1
78 . 1 1 7 7 TYR CE2 C 13 117.874 0.000 . 3 . . . A 7 TYR CE2 . 25585 1
79 . 1 1 7 7 TYR N N 15 120.136 0.000 . 1 . . . A 7 TYR N . 25585 1
80 . 1 1 8 8 ALA H H 1 9.286 0.003 . 1 . . . A 8 ALA H . 25585 1
81 . 1 1 8 8 ALA HA H 1 4.686 0.002 . 1 . . . A 8 ALA HA . 25585 1
82 . 1 1 8 8 ALA HB1 H 1 1.338 0.004 . 1 . . . A 8 ALA HB1 . 25585 1
83 . 1 1 8 8 ALA HB2 H 1 1.338 0.004 . 1 . . . A 8 ALA HB2 . 25585 1
84 . 1 1 8 8 ALA HB3 H 1 1.338 0.004 . 1 . . . A 8 ALA HB3 . 25585 1
85 . 1 1 8 8 ALA CA C 13 50.942 0.000 . 1 . . . A 8 ALA CA . 25585 1
86 . 1 1 8 8 ALA CB C 13 22.157 0.000 . 1 . . . A 8 ALA CB . 25585 1
87 . 1 1 8 8 ALA N N 15 121.599 0.000 . 1 . . . A 8 ALA N . 25585 1
88 . 1 1 9 9 TYR H H 1 9.112 0.002 . 1 . . . A 9 TYR H . 25585 1
89 . 1 1 9 9 TYR HA H 1 4.338 0.004 . 1 . . . A 9 TYR HA . 25585 1
90 . 1 1 9 9 TYR HB2 H 1 2.768 0.003 . 2 . . . A 9 TYR HB2 . 25585 1
91 . 1 1 9 9 TYR HB3 H 1 3.001 0.003 . 2 . . . A 9 TYR HB3 . 25585 1
92 . 1 1 9 9 TYR HD1 H 1 6.837 0.003 . 3 . . . A 9 TYR HD1 . 25585 1
93 . 1 1 9 9 TYR HD2 H 1 6.837 0.003 . 3 . . . A 9 TYR HD2 . 25585 1
94 . 1 1 9 9 TYR HE1 H 1 6.575 0.004 . 3 . . . A 9 TYR HE1 . 25585 1
95 . 1 1 9 9 TYR HE2 H 1 6.575 0.004 . 3 . . . A 9 TYR HE2 . 25585 1
96 . 1 1 9 9 TYR CA C 13 59.315 0.000 . 1 . . . A 9 TYR CA . 25585 1
97 . 1 1 9 9 TYR CB C 13 38.798 0.004 . 1 . . . A 9 TYR CB . 25585 1
98 . 1 1 9 9 TYR CD1 C 13 132.747 0.000 . 3 . . . A 9 TYR CD1 . 25585 1
99 . 1 1 9 9 TYR CD2 C 13 132.747 0.000 . 3 . . . A 9 TYR CD2 . 25585 1
100 . 1 1 9 9 TYR CE1 C 13 117.723 0.000 . 3 . . . A 9 TYR CE1 . 25585 1
101 . 1 1 9 9 TYR CE2 C 13 117.723 0.000 . 3 . . . A 9 TYR CE2 . 25585 1
102 . 1 1 9 9 TYR N N 15 124.797 0.000 . 1 . . . A 9 TYR N . 25585 1
103 . 1 1 10 10 ASN H H 1 8.210 0.002 . 1 . . . A 10 ASN H . 25585 1
104 . 1 1 10 10 ASN HA H 1 5.079 0.002 . 1 . . . A 10 ASN HA . 25585 1
105 . 1 1 10 10 ASN HB2 H 1 2.793 0.003 . 2 . . . A 10 ASN HB2 . 25585 1
106 . 1 1 10 10 ASN HB3 H 1 2.982 0.003 . 2 . . . A 10 ASN HB3 . 25585 1
107 . 1 1 10 10 ASN HD21 H 1 7.346 0.002 . 1 . . . A 10 ASN HD21 . 25585 1
108 . 1 1 10 10 ASN HD22 H 1 7.785 0.002 . 1 . . . A 10 ASN HD22 . 25585 1
109 . 1 1 10 10 ASN CA C 13 49.172 0.000 . 1 . . . A 10 ASN CA . 25585 1
110 . 1 1 10 10 ASN CB C 13 38.824 0.013 . 1 . . . A 10 ASN CB . 25585 1
111 . 1 1 10 10 ASN N N 15 128.087 0.000 . 1 . . . A 10 ASN N . 25585 1
112 . 1 1 10 10 ASN ND2 N 15 114.694 0.003 . 1 . . . A 10 ASN ND2 . 25585 1
113 . 1 1 11 11 PRO HA H 1 4.065 0.003 . 1 . . . A 11 PRO HA . 25585 1
114 . 1 1 11 11 PRO HB2 H 1 2.420 0.003 . 2 . . . A 11 PRO HB2 . 25585 1
115 . 1 1 11 11 PRO HB3 H 1 2.118 0.002 . 2 . . . A 11 PRO HB3 . 25585 1
116 . 1 1 11 11 PRO HG2 H 1 2.150 0.000 . 2 . . . A 11 PRO HG2 . 25585 1
117 . 1 1 11 11 PRO HG3 H 1 2.080 0.001 . 2 . . . A 11 PRO HG3 . 25585 1
118 . 1 1 11 11 PRO HD2 H 1 3.913 0.005 . 1 . . . A 11 PRO HD2 . 25585 1
119 . 1 1 11 11 PRO CA C 13 63.988 0.000 . 1 . . . A 11 PRO CA . 25585 1
120 . 1 1 11 11 PRO CB C 13 32.043 0.004 . 1 . . . A 11 PRO CB . 25585 1
121 . 1 1 11 11 PRO CG C 13 26.849 0.001 . 1 . . . A 11 PRO CG . 25585 1
122 . 1 1 11 11 PRO CD C 13 51.026 0.000 . 1 . . . A 11 PRO CD . 25585 1
123 . 1 1 12 12 VAL H H 1 7.570 0.003 . 1 . . . A 12 VAL H . 25585 1
124 . 1 1 12 12 VAL HA H 1 3.758 0.002 . 1 . . . A 12 VAL HA . 25585 1
125 . 1 1 12 12 VAL HB H 1 2.115 0.003 . 1 . . . A 12 VAL HB . 25585 1
126 . 1 1 12 12 VAL HG11 H 1 0.909 0.003 . 2 . . . A 12 VAL HG11 . 25585 1
127 . 1 1 12 12 VAL HG12 H 1 0.909 0.003 . 2 . . . A 12 VAL HG12 . 25585 1
128 . 1 1 12 12 VAL HG13 H 1 0.909 0.003 . 2 . . . A 12 VAL HG13 . 25585 1
129 . 1 1 12 12 VAL HG21 H 1 1.003 0.002 . 2 . . . A 12 VAL HG21 . 25585 1
130 . 1 1 12 12 VAL HG22 H 1 1.003 0.002 . 2 . . . A 12 VAL HG22 . 25585 1
131 . 1 1 12 12 VAL HG23 H 1 1.003 0.002 . 2 . . . A 12 VAL HG23 . 25585 1
132 . 1 1 12 12 VAL CA C 13 65.103 0.000 . 1 . . . A 12 VAL CA . 25585 1
133 . 1 1 12 12 VAL CB C 13 31.723 0.000 . 1 . . . A 12 VAL CB . 25585 1
134 . 1 1 12 12 VAL CG1 C 13 20.802 0.000 . 2 . . . A 12 VAL CG1 . 25585 1
135 . 1 1 12 12 VAL CG2 C 13 22.112 0.000 . 2 . . . A 12 VAL CG2 . 25585 1
136 . 1 1 12 12 VAL N N 15 119.341 0.000 . 1 . . . A 12 VAL N . 25585 1
137 . 1 1 13 13 LEU H H 1 6.902 0.003 . 1 . . . A 13 LEU H . 25585 1
138 . 1 1 13 13 LEU HA H 1 4.289 0.002 . 1 . . . A 13 LEU HA . 25585 1
139 . 1 1 13 13 LEU HB2 H 1 1.522 0.004 . 2 . . . A 13 LEU HB2 . 25585 1
140 . 1 1 13 13 LEU HB3 H 1 1.292 0.001 . 2 . . . A 13 LEU HB3 . 25585 1
141 . 1 1 13 13 LEU HG H 1 1.275 0.007 . 1 . . . A 13 LEU HG . 25585 1
142 . 1 1 13 13 LEU HD11 H 1 0.817 0.003 . 2 . . . A 13 LEU HD11 . 25585 1
143 . 1 1 13 13 LEU HD12 H 1 0.817 0.003 . 2 . . . A 13 LEU HD12 . 25585 1
144 . 1 1 13 13 LEU HD13 H 1 0.817 0.003 . 2 . . . A 13 LEU HD13 . 25585 1
145 . 1 1 13 13 LEU HD21 H 1 0.846 0.005 . 2 . . . A 13 LEU HD21 . 25585 1
146 . 1 1 13 13 LEU HD22 H 1 0.846 0.005 . 2 . . . A 13 LEU HD22 . 25585 1
147 . 1 1 13 13 LEU HD23 H 1 0.846 0.005 . 2 . . . A 13 LEU HD23 . 25585 1
148 . 1 1 13 13 LEU CA C 13 55.820 0.000 . 1 . . . A 13 LEU CA . 25585 1
149 . 1 1 13 13 LEU CB C 13 43.984 0.015 . 1 . . . A 13 LEU CB . 25585 1
150 . 1 1 13 13 LEU CD1 C 13 21.895 0.000 . 2 . . . A 13 LEU CD1 . 25585 1
151 . 1 1 13 13 LEU CD2 C 13 23.606 0.000 . 2 . . . A 13 LEU CD2 . 25585 1
152 . 1 1 13 13 LEU N N 15 116.412 0.000 . 1 . . . A 13 LEU N . 25585 1
153 . 1 1 14 14 GLY H H 1 8.387 0.002 . 1 . . . A 14 GLY H . 25585 1
154 . 1 1 14 14 GLY HA2 H 1 3.945 0.002 . 2 . . . A 14 GLY HA2 . 25585 1
155 . 1 1 14 14 GLY HA3 H 1 3.694 0.003 . 2 . . . A 14 GLY HA3 . 25585 1
156 . 1 1 14 14 GLY CA C 13 46.243 0.005 . 1 . . . A 14 GLY CA . 25585 1
157 . 1 1 14 14 GLY N N 15 108.651 0.000 . 1 . . . A 14 GLY N . 25585 1
158 . 1 1 15 15 ILE H H 1 6.727 0.002 . 1 . . . A 15 ILE H . 25585 1
159 . 1 1 15 15 ILE HA H 1 4.829 0.006 . 1 . . . A 15 ILE HA . 25585 1
160 . 1 1 15 15 ILE HB H 1 1.898 0.001 . 1 . . . A 15 ILE HB . 25585 1
161 . 1 1 15 15 ILE HG12 H 1 1.192 0.005 . 1 . . . A 15 ILE HG12 . 25585 1
162 . 1 1 15 15 ILE HG21 H 1 0.877 0.002 . 1 . . . A 15 ILE HG21 . 25585 1
163 . 1 1 15 15 ILE HG22 H 1 0.877 0.002 . 1 . . . A 15 ILE HG22 . 25585 1
164 . 1 1 15 15 ILE HG23 H 1 0.877 0.002 . 1 . . . A 15 ILE HG23 . 25585 1
165 . 1 1 15 15 ILE HD11 H 1 0.830 0.004 . 1 . . . A 15 ILE HD11 . 25585 1
166 . 1 1 15 15 ILE HD12 H 1 0.830 0.004 . 1 . . . A 15 ILE HD12 . 25585 1
167 . 1 1 15 15 ILE HD13 H 1 0.830 0.004 . 1 . . . A 15 ILE HD13 . 25585 1
168 . 1 1 15 15 ILE CA C 13 58.677 0.000 . 1 . . . A 15 ILE CA . 25585 1
169 . 1 1 15 15 ILE CB C 13 43.373 0.000 . 1 . . . A 15 ILE CB . 25585 1
170 . 1 1 15 15 ILE CG1 C 13 25.417 0.000 . 1 . . . A 15 ILE CG1 . 25585 1
171 . 1 1 15 15 ILE CG2 C 13 17.820 0.000 . 1 . . . A 15 ILE CG2 . 25585 1
172 . 1 1 15 15 ILE CD1 C 13 13.234 0.000 . 1 . . . A 15 ILE CD1 . 25585 1
173 . 1 1 15 15 ILE N N 15 109.703 0.000 . 1 . . . A 15 ILE N . 25585 1
174 . 1 1 16 16 CYS H H 1 8.811 0.002 . 1 . . . A 16 CYS H . 25585 1
175 . 1 1 16 16 CYS HA H 1 5.192 0.004 . 1 . . . A 16 CYS HA . 25585 1
176 . 1 1 16 16 CYS HB2 H 1 3.103 0.003 . 2 . . . A 16 CYS HB2 . 25585 1
177 . 1 1 16 16 CYS HB3 H 1 2.786 0.003 . 2 . . . A 16 CYS HB3 . 25585 1
178 . 1 1 16 16 CYS CA C 13 55.993 0.000 . 1 . . . A 16 CYS CA . 25585 1
179 . 1 1 16 16 CYS CB C 13 43.124 0.001 . 1 . . . A 16 CYS CB . 25585 1
180 . 1 1 16 16 CYS N N 15 120.648 0.000 . 1 . . . A 16 CYS N . 25585 1
181 . 1 1 17 17 THR H H 1 9.357 0.002 . 1 . . . A 17 THR H . 25585 1
182 . 1 1 17 17 THR HA H 1 4.859 0.003 . 1 . . . A 17 THR HA . 25585 1
183 . 1 1 17 17 THR HB H 1 4.262 0.005 . 1 . . . A 17 THR HB . 25585 1
184 . 1 1 17 17 THR HG21 H 1 1.207 0.003 . 1 . . . A 17 THR HG21 . 25585 1
185 . 1 1 17 17 THR HG22 H 1 1.207 0.003 . 1 . . . A 17 THR HG22 . 25585 1
186 . 1 1 17 17 THR HG23 H 1 1.207 0.003 . 1 . . . A 17 THR HG23 . 25585 1
187 . 1 1 17 17 THR CB C 13 69.862 0.000 . 1 . . . A 17 THR CB . 25585 1
188 . 1 1 17 17 THR CG2 C 13 21.471 0.000 . 1 . . . A 17 THR CG2 . 25585 1
189 . 1 1 17 17 THR N N 15 116.440 0.000 . 1 . . . A 17 THR N . 25585 1
190 . 1 1 18 18 ILE H H 1 8.493 0.002 . 1 . . . A 18 ILE H . 25585 1
191 . 1 1 18 18 ILE HA H 1 3.392 0.003 . 1 . . . A 18 ILE HA . 25585 1
192 . 1 1 18 18 ILE HB H 1 1.306 0.002 . 1 . . . A 18 ILE HB . 25585 1
193 . 1 1 18 18 ILE HG12 H 1 0.874 0.001 . 2 . . . A 18 ILE HG12 . 25585 1
194 . 1 1 18 18 ILE HG13 H 1 0.995 0.002 . 2 . . . A 18 ILE HG13 . 25585 1
195 . 1 1 18 18 ILE HG21 H 1 0.701 0.003 . 1 . . . A 18 ILE HG21 . 25585 1
196 . 1 1 18 18 ILE HG22 H 1 0.701 0.003 . 1 . . . A 18 ILE HG22 . 25585 1
197 . 1 1 18 18 ILE HG23 H 1 0.701 0.003 . 1 . . . A 18 ILE HG23 . 25585 1
198 . 1 1 18 18 ILE HD11 H 1 0.669 0.003 . 1 . . . A 18 ILE HD11 . 25585 1
199 . 1 1 18 18 ILE HD12 H 1 0.669 0.003 . 1 . . . A 18 ILE HD12 . 25585 1
200 . 1 1 18 18 ILE HD13 H 1 0.669 0.003 . 1 . . . A 18 ILE HD13 . 25585 1
201 . 1 1 18 18 ILE CA C 13 62.208 0.000 . 1 . . . A 18 ILE CA . 25585 1
202 . 1 1 18 18 ILE CB C 13 38.935 0.000 . 1 . . . A 18 ILE CB . 25585 1
203 . 1 1 18 18 ILE CG1 C 13 28.911 0.001 . 1 . . . A 18 ILE CG1 . 25585 1
204 . 1 1 18 18 ILE CG2 C 13 16.328 0.000 . 1 . . . A 18 ILE CG2 . 25585 1
205 . 1 1 18 18 ILE CD1 C 13 13.524 0.000 . 1 . . . A 18 ILE CD1 . 25585 1
206 . 1 1 18 18 ILE N N 15 124.956 0.000 . 1 . . . A 18 ILE N . 25585 1
207 . 1 1 19 19 THR H H 1 8.060 0.004 . 1 . . . A 19 THR H . 25585 1
208 . 1 1 19 19 THR HA H 1 4.331 0.003 . 1 . . . A 19 THR HA . 25585 1
209 . 1 1 19 19 THR HB H 1 4.072 0.001 . 1 . . . A 19 THR HB . 25585 1
210 . 1 1 19 19 THR HG21 H 1 1.081 0.002 . 1 . . . A 19 THR HG21 . 25585 1
211 . 1 1 19 19 THR HG22 H 1 1.081 0.002 . 1 . . . A 19 THR HG22 . 25585 1
212 . 1 1 19 19 THR HG23 H 1 1.081 0.002 . 1 . . . A 19 THR HG23 . 25585 1
213 . 1 1 19 19 THR CA C 13 61.222 0.000 . 1 . . . A 19 THR CA . 25585 1
214 . 1 1 19 19 THR CB C 13 69.839 0.000 . 1 . . . A 19 THR CB . 25585 1
215 . 1 1 19 19 THR CG2 C 13 21.628 0.000 . 1 . . . A 19 THR CG2 . 25585 1
216 . 1 1 19 19 THR N N 15 119.997 0.000 . 1 . . . A 19 THR N . 25585 1
217 . 1 1 20 20 LEU H H 1 8.354 0.002 . 1 . . . A 20 LEU H . 25585 1
218 . 1 1 20 20 LEU HA H 1 4.287 0.002 . 1 . . . A 20 LEU HA . 25585 1
219 . 1 1 20 20 LEU HB2 H 1 1.609 0.000 . 2 . . . A 20 LEU HB2 . 25585 1
220 . 1 1 20 20 LEU HB3 H 1 1.572 0.001 . 2 . . . A 20 LEU HB3 . 25585 1
221 . 1 1 20 20 LEU HG H 1 1.574 0.002 . 1 . . . A 20 LEU HG . 25585 1
222 . 1 1 20 20 LEU HD11 H 1 0.893 0.004 . 2 . . . A 20 LEU HD11 . 25585 1
223 . 1 1 20 20 LEU HD12 H 1 0.893 0.004 . 2 . . . A 20 LEU HD12 . 25585 1
224 . 1 1 20 20 LEU HD13 H 1 0.893 0.004 . 2 . . . A 20 LEU HD13 . 25585 1
225 . 1 1 20 20 LEU HD21 H 1 0.852 0.006 . 2 . . . A 20 LEU HD21 . 25585 1
226 . 1 1 20 20 LEU HD22 H 1 0.852 0.006 . 2 . . . A 20 LEU HD22 . 25585 1
227 . 1 1 20 20 LEU HD23 H 1 0.852 0.006 . 2 . . . A 20 LEU HD23 . 25585 1
228 . 1 1 20 20 LEU CA C 13 56.119 0.000 . 1 . . . A 20 LEU CA . 25585 1
229 . 1 1 20 20 LEU CB C 13 42.079 0.000 . 1 . . . A 20 LEU CB . 25585 1
230 . 1 1 20 20 LEU CG C 13 26.996 0.000 . 1 . . . A 20 LEU CG . 25585 1
231 . 1 1 20 20 LEU CD1 C 13 24.577 0.000 . 2 . . . A 20 LEU CD1 . 25585 1
232 . 1 1 20 20 LEU CD2 C 13 25.304 0.000 . 2 . . . A 20 LEU CD2 . 25585 1
233 . 1 1 20 20 LEU N N 15 125.150 0.000 . 1 . . . A 20 LEU N . 25585 1
234 . 1 1 21 21 SER H H 1 8.274 0.001 . 1 . . . A 21 SER H . 25585 1
235 . 1 1 21 21 SER HA H 1 4.350 0.002 . 1 . . . A 21 SER HA . 25585 1
236 . 1 1 21 21 SER HB2 H 1 3.846 0.004 . 1 . . . A 21 SER HB2 . 25585 1
237 . 1 1 21 21 SER CA C 13 58.899 0.000 . 1 . . . A 21 SER CA . 25585 1
238 . 1 1 21 21 SER CB C 13 63.363 0.000 . 1 . . . A 21 SER CB . 25585 1
239 . 1 1 21 21 SER N N 15 115.796 0.000 . 1 . . . A 21 SER N . 25585 1
240 . 1 1 22 22 ARG H H 1 8.149 0.002 . 1 . . . A 22 ARG H . 25585 1
241 . 1 1 22 22 ARG HA H 1 4.289 0.003 . 1 . . . A 22 ARG HA . 25585 1
242 . 1 1 22 22 ARG HB2 H 1 1.587 0.003 . 2 . . . A 22 ARG HB2 . 25585 1
243 . 1 1 22 22 ARG HB3 H 1 1.815 0.005 . 2 . . . A 22 ARG HB3 . 25585 1
244 . 1 1 22 22 ARG HG2 H 1 1.541 0.003 . 1 . . . A 22 ARG HG2 . 25585 1
245 . 1 1 22 22 ARG HD2 H 1 3.072 0.004 . 1 . . . A 22 ARG HD2 . 25585 1
246 . 1 1 22 22 ARG HE H 1 7.237 0.001 . 1 . . . A 22 ARG HE . 25585 1
247 . 1 1 22 22 ARG CA C 13 54.946 0.000 . 1 . . . A 22 ARG CA . 25585 1
248 . 1 1 22 22 ARG CB C 13 30.369 0.014 . 1 . . . A 22 ARG CB . 25585 1
249 . 1 1 22 22 ARG CG C 13 27.032 0.000 . 1 . . . A 22 ARG CG . 25585 1
250 . 1 1 22 22 ARG CD C 13 43.088 0.000 . 1 . . . A 22 ARG CD . 25585 1
251 . 1 1 22 22 ARG N N 15 122.561 0.000 . 1 . . . A 22 ARG N . 25585 1
252 . 1 1 23 23 ILE H H 1 8.002 0.003 . 1 . . . A 23 ILE H . 25585 1
253 . 1 1 23 23 ILE HA H 1 4.001 0.002 . 1 . . . A 23 ILE HA . 25585 1
254 . 1 1 23 23 ILE HB H 1 1.829 0.005 . 1 . . . A 23 ILE HB . 25585 1
255 . 1 1 23 23 ILE HG12 H 1 1.452 0.005 . 2 . . . A 23 ILE HG12 . 25585 1
256 . 1 1 23 23 ILE HG13 H 1 1.128 0.004 . 2 . . . A 23 ILE HG13 . 25585 1
257 . 1 1 23 23 ILE HG21 H 1 0.815 0.002 . 1 . . . A 23 ILE HG21 . 25585 1
258 . 1 1 23 23 ILE HG22 H 1 0.815 0.002 . 1 . . . A 23 ILE HG22 . 25585 1
259 . 1 1 23 23 ILE HG23 H 1 0.815 0.002 . 1 . . . A 23 ILE HG23 . 25585 1
260 . 1 1 23 23 ILE HD11 H 1 0.806 0.004 . 1 . . . A 23 ILE HD11 . 25585 1
261 . 1 1 23 23 ILE HD12 H 1 0.806 0.004 . 1 . . . A 23 ILE HD12 . 25585 1
262 . 1 1 23 23 ILE HD13 H 1 0.806 0.004 . 1 . . . A 23 ILE HD13 . 25585 1
263 . 1 1 23 23 ILE CA C 13 61.671 0.000 . 1 . . . A 23 ILE CA . 25585 1
264 . 1 1 23 23 ILE CB C 13 38.383 0.000 . 1 . . . A 23 ILE CB . 25585 1
265 . 1 1 23 23 ILE CG1 C 13 27.424 0.011 . 1 . . . A 23 ILE CG1 . 25585 1
266 . 1 1 23 23 ILE CG2 C 13 17.217 0.000 . 1 . . . A 23 ILE CG2 . 25585 1
267 . 1 1 23 23 ILE CD1 C 13 12.701 0.000 . 1 . . . A 23 ILE CD1 . 25585 1
268 . 1 1 23 23 ILE N N 15 121.335 0.000 . 1 . . . A 23 ILE N . 25585 1
269 . 1 1 24 24 GLU H H 1 8.317 0.001 . 1 . . . A 24 GLU H . 25585 1
270 . 1 1 24 24 GLU HA H 1 4.209 0.002 . 1 . . . A 24 GLU HA . 25585 1
271 . 1 1 24 24 GLU HB2 H 1 1.864 0.004 . 1 . . . A 24 GLU HB2 . 25585 1
272 . 1 1 24 24 GLU HG2 H 1 2.306 0.001 . 2 . . . A 24 GLU HG2 . 25585 1
273 . 1 1 24 24 GLU HG3 H 1 2.376 0.000 . 2 . . . A 24 GLU HG3 . 25585 1
274 . 1 1 24 24 GLU CA C 13 56.115 0.000 . 1 . . . A 24 GLU CA . 25585 1
275 . 1 1 24 24 GLU CB C 13 29.306 0.000 . 1 . . . A 24 GLU CB . 25585 1
276 . 1 1 24 24 GLU CG C 13 33.586 0.005 . 1 . . . A 24 GLU CG . 25585 1
277 . 1 1 24 24 GLU N N 15 122.372 0.000 . 1 . . . A 24 GLU N . 25585 1
278 . 1 1 25 25 HIS H H 1 8.323 0.002 . 1 . . . A 25 HIS H . 25585 1
279 . 1 1 25 25 HIS HA H 1 5.022 0.005 . 1 . . . A 25 HIS HA . 25585 1
280 . 1 1 25 25 HIS HB2 H 1 3.159 0.005 . 1 . . . A 25 HIS HB2 . 25585 1
281 . 1 1 25 25 HIS HD2 H 1 7.285 0.003 . 1 . . . A 25 HIS HD2 . 25585 1
282 . 1 1 25 25 HIS HE1 H 1 8.546 0.007 . 1 . . . A 25 HIS HE1 . 25585 1
283 . 1 1 25 25 HIS CA C 13 52.772 0.000 . 1 . . . A 25 HIS CA . 25585 1
284 . 1 1 25 25 HIS CB C 13 28.551 0.000 . 1 . . . A 25 HIS CB . 25585 1
285 . 1 1 25 25 HIS CD2 C 13 120.375 0.000 . 1 . . . A 25 HIS CD2 . 25585 1
286 . 1 1 25 25 HIS CE1 C 13 135.955 0.000 . 1 . . . A 25 HIS CE1 . 25585 1
287 . 1 1 25 25 HIS N N 15 118.365 0.000 . 1 . . . A 25 HIS N . 25585 1
288 . 1 1 26 26 PRO HA H 1 4.468 0.003 . 1 . . . A 26 PRO HA . 25585 1
289 . 1 1 26 26 PRO HB2 H 1 1.993 0.003 . 2 . . . A 26 PRO HB2 . 25585 1
290 . 1 1 26 26 PRO HB3 H 1 2.333 0.004 . 2 . . . A 26 PRO HB3 . 25585 1
291 . 1 1 26 26 PRO HG2 H 1 2.026 0.004 . 1 . . . A 26 PRO HG2 . 25585 1
292 . 1 1 26 26 PRO HD2 H 1 3.605 0.002 . 2 . . . A 26 PRO HD2 . 25585 1
293 . 1 1 26 26 PRO HD3 H 1 3.648 0.004 . 2 . . . A 26 PRO HD3 . 25585 1
294 . 1 1 26 26 PRO CA C 13 63.834 0.000 . 1 . . . A 26 PRO CA . 25585 1
295 . 1 1 26 26 PRO CB C 13 31.936 0.009 . 1 . . . A 26 PRO CB . 25585 1
296 . 1 1 26 26 PRO CG C 13 27.203 0.000 . 1 . . . A 26 PRO CG . 25585 1
297 . 1 1 26 26 PRO CD C 13 50.482 0.001 . 1 . . . A 26 PRO CD . 25585 1
298 . 1 1 27 27 GLY H H 1 8.594 0.002 . 1 . . . A 27 GLY H . 25585 1
299 . 1 1 27 27 GLY HA2 H 1 3.937 0.001 . 1 . . . A 27 GLY HA2 . 25585 1
300 . 1 1 27 27 GLY CA C 13 45.212 0.000 . 1 . . . A 27 GLY CA . 25585 1
301 . 1 1 27 27 GLY N N 15 108.880 0.000 . 1 . . . A 27 GLY N . 25585 1
302 . 1 1 28 28 ASN H H 1 8.154 0.002 . 1 . . . A 28 ASN H . 25585 1
303 . 1 1 28 28 ASN HA H 1 4.665 0.001 . 1 . . . A 28 ASN HA . 25585 1
304 . 1 1 28 28 ASN HB2 H 1 2.672 0.002 . 1 . . . A 28 ASN HB2 . 25585 1
305 . 1 1 28 28 ASN HD21 H 1 6.870 0.002 . 1 . . . A 28 ASN HD21 . 25585 1
306 . 1 1 28 28 ASN HD22 H 1 7.502 0.001 . 1 . . . A 28 ASN HD22 . 25585 1
307 . 1 1 28 28 ASN CA C 13 52.967 0.000 . 1 . . . A 28 ASN CA . 25585 1
308 . 1 1 28 28 ASN CB C 13 38.579 0.000 . 1 . . . A 28 ASN CB . 25585 1
309 . 1 1 28 28 ASN N N 15 118.144 0.000 . 1 . . . A 28 ASN N . 25585 1
310 . 1 1 28 28 ASN ND2 N 15 112.145 0.005 . 1 . . . A 28 ASN ND2 . 25585 1
311 . 1 1 29 29 TYR H H 1 8.058 0.004 . 1 . . . A 29 TYR H . 25585 1
312 . 1 1 29 29 TYR HA H 1 4.520 0.004 . 1 . . . A 29 TYR HA . 25585 1
313 . 1 1 29 29 TYR HB2 H 1 2.782 0.003 . 2 . . . A 29 TYR HB2 . 25585 1
314 . 1 1 29 29 TYR HB3 H 1 2.990 0.003 . 2 . . . A 29 TYR HB3 . 25585 1
315 . 1 1 29 29 TYR HD1 H 1 7.040 0.004 . 3 . . . A 29 TYR HD1 . 25585 1
316 . 1 1 29 29 TYR HD2 H 1 7.040 0.004 . 3 . . . A 29 TYR HD2 . 25585 1
317 . 1 1 29 29 TYR HE1 H 1 6.765 0.003 . 3 . . . A 29 TYR HE1 . 25585 1
318 . 1 1 29 29 TYR HE2 H 1 6.765 0.003 . 3 . . . A 29 TYR HE2 . 25585 1
319 . 1 1 29 29 TYR CA C 13 57.544 0.000 . 1 . . . A 29 TYR CA . 25585 1
320 . 1 1 29 29 TYR CB C 13 39.011 0.004 . 1 . . . A 29 TYR CB . 25585 1
321 . 1 1 29 29 TYR CD1 C 13 133.274 0.000 . 3 . . . A 29 TYR CD1 . 25585 1
322 . 1 1 29 29 TYR CD2 C 13 133.274 0.000 . 3 . . . A 29 TYR CD2 . 25585 1
323 . 1 1 29 29 TYR CE1 C 13 117.983 0.000 . 3 . . . A 29 TYR CE1 . 25585 1
324 . 1 1 29 29 TYR CE2 C 13 117.983 0.000 . 3 . . . A 29 TYR CE2 . 25585 1
325 . 1 1 29 29 TYR N N 15 119.962 0.000 . 1 . . . A 29 TYR N . 25585 1
326 . 1 1 30 30 ASP H H 1 8.226 0.001 . 1 . . . A 30 ASP H . 25585 1
327 . 1 1 30 30 ASP HA H 1 4.679 0.001 . 1 . . . A 30 ASP HA . 25585 1
328 . 1 1 30 30 ASP HB2 H 1 2.783 0.002 . 2 . . . A 30 ASP HB2 . 25585 1
329 . 1 1 30 30 ASP HB3 H 1 2.659 0.003 . 2 . . . A 30 ASP HB3 . 25585 1
330 . 1 1 30 30 ASP CA C 13 52.827 0.000 . 1 . . . A 30 ASP CA . 25585 1
331 . 1 1 30 30 ASP CB C 13 38.567 0.002 . 1 . . . A 30 ASP CB . 25585 1
332 . 1 1 30 30 ASP N N 15 120.874 0.000 . 1 . . . A 30 ASP N . 25585 1
333 . 1 1 31 31 TYR H H 1 7.624 0.005 . 1 . . . A 31 TYR H . 25585 1
334 . 1 1 31 31 TYR HA H 1 4.423 0.006 . 1 . . . A 31 TYR HA . 25585 1
335 . 1 1 31 31 TYR HB2 H 1 2.923 0.003 . 2 . . . A 31 TYR HB2 . 25585 1
336 . 1 1 31 31 TYR HB3 H 1 3.070 0.002 . 2 . . . A 31 TYR HB3 . 25585 1
337 . 1 1 31 31 TYR HD1 H 1 7.077 0.004 . 3 . . . A 31 TYR HD1 . 25585 1
338 . 1 1 31 31 TYR HD2 H 1 7.077 0.004 . 3 . . . A 31 TYR HD2 . 25585 1
339 . 1 1 31 31 TYR HE1 H 1 6.805 0.002 . 3 . . . A 31 TYR HE1 . 25585 1
340 . 1 1 31 31 TYR HE2 H 1 6.805 0.002 . 3 . . . A 31 TYR HE2 . 25585 1
341 . 1 1 31 31 TYR CA C 13 58.331 0.000 . 1 . . . A 31 TYR CA . 25585 1
342 . 1 1 31 31 TYR CB C 13 38.919 0.005 . 1 . . . A 31 TYR CB . 25585 1
343 . 1 1 31 31 TYR CD1 C 13 133.265 0.000 . 3 . . . A 31 TYR CD1 . 25585 1
344 . 1 1 31 31 TYR CD2 C 13 133.265 0.000 . 3 . . . A 31 TYR CD2 . 25585 1
345 . 1 1 31 31 TYR CE1 C 13 117.922 0.000 . 3 . . . A 31 TYR CE1 . 25585 1
346 . 1 1 31 31 TYR CE2 C 13 117.922 0.000 . 3 . . . A 31 TYR CE2 . 25585 1
347 . 1 1 31 31 TYR N N 15 123.180 0.000 . 1 . . . A 31 TYR N . 25585 1
stop_
save_