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 19611
_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-1H NOESY' 1 $Kal-sortase . 19611 1
2 '2D 1H-1H TOCSY' 1 $Kal-sortase . 19611 1
5 '2D 1H-13C HSQC' 1 $Kal-sortase . 19611 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 GLY HA2 H 1 4.005 0.004 . . . . . A 1 GLY HA2 . 19611 1
2 . 1 1 1 1 GLY HA3 H 1 4.005 0.004 . . . . . A 1 GLY HA3 . 19611 1
3 . 1 1 1 1 GLY H H 1 4.005 0.004 . . . . . A 1 GLY H . 19611 1
4 . 1 1 2 2 GLY H H 1 8.491 0.002 . . . . . A 2 GLY H . 19611 1
5 . 1 1 2 2 GLY HA2 H 1 4.176 0.004 . . . . . A 2 GLY HA2 . 19611 1
6 . 1 1 2 2 GLY HA3 H 1 4.176 0.004 . . . . . A 2 GLY HA3 . 19611 1
7 . 1 1 3 3 GLY H H 1 8.350 0.039 . . . . . A 3 GLY H . 19611 1
8 . 1 1 3 3 GLY HA2 H 1 4.003 0.007 . . . . . A 3 GLY HA2 . 19611 1
9 . 1 1 3 3 GLY HA3 H 1 4.003 0.007 . . . . . A 3 GLY HA3 . 19611 1
10 . 1 1 4 4 CYS H H 1 8.401 0.001 . . . . . A 4 CYS H . 19611 1
11 . 1 1 4 4 CYS HA H 1 4.668 0.005 . . . . . A 4 CYS HA . 19611 1
12 . 1 1 4 4 CYS HB2 H 1 2.975 0.012 . . . . . A 4 CYS HB2 . 19611 1
13 . 1 1 4 4 CYS HB3 H 1 3.108 0.007 . . . . . A 4 CYS HB3 . 19611 1
14 . 1 1 4 4 CYS CA C 13 56.829 0.000 . . . . . A 4 CYS CA . 19611 1
15 . 1 1 4 4 CYS CB C 13 45.748 0.007 . . . . . A 4 CYS CB . 19611 1
16 . 1 1 5 5 GLY H H 1 8.535 0.003 . . . . . A 5 GLY H . 19611 1
17 . 1 1 5 5 GLY HA2 H 1 3.937 0.005 . . . . . A 5 GLY HA2 . 19611 1
18 . 1 1 5 5 GLY HA3 H 1 3.791 0.002 . . . . . A 5 GLY HA3 . 19611 1
19 . 1 1 5 5 GLY CA C 13 46.417 0.000 . . . . . A 5 GLY CA . 19611 1
20 . 1 1 6 6 GLU H H 1 7.723 0.005 . . . . . A 6 GLU H . 19611 1
21 . 1 1 6 6 GLU HA H 1 4.641 0.005 . . . . . A 6 GLU HA . 19611 1
22 . 1 1 6 6 GLU HB2 H 1 1.914 0.006 . . . . . A 6 GLU HB2 . 19611 1
23 . 1 1 6 6 GLU HB3 H 1 1.914 0.006 . . . . . A 6 GLU HB3 . 19611 1
24 . 1 1 6 6 GLU HG2 H 1 2.352 0.009 . . . . . A 6 GLU HG2 . 19611 1
25 . 1 1 6 6 GLU HG3 H 1 2.426 0.031 . . . . . A 6 GLU HG3 . 19611 1
26 . 1 1 6 6 GLU CB C 13 32.152 0.000 . . . . . A 6 GLU CB . 19611 1
27 . 1 1 6 6 GLU CG C 13 35.759 0.000 . . . . . A 6 GLU CG . 19611 1
28 . 1 1 7 7 THR H H 1 8.525 0.003 . . . . . A 7 THR H . 19611 1
29 . 1 1 7 7 THR HA H 1 4.541 0.002 . . . . . A 7 THR HA . 19611 1
30 . 1 1 7 7 THR HB H 1 4.326 0.012 . . . . . A 7 THR HB . 19611 1
31 . 1 1 7 7 THR HG21 H 1 1.170 0.012 . . . . . A 7 THR HG21 . 19611 1
32 . 1 1 7 7 THR HG22 H 1 1.170 0.012 . . . . . A 7 THR HG22 . 19611 1
33 . 1 1 7 7 THR HG23 H 1 1.170 0.012 . . . . . A 7 THR HG23 . 19611 1
34 . 1 1 7 7 THR CA C 13 60.757 0.000 . . . . . A 7 THR CA . 19611 1
35 . 1 1 7 7 THR CB C 13 70.536 0.000 . . . . . A 7 THR CB . 19611 1
36 . 1 1 7 7 THR CG2 C 13 21.925 0.000 . . . . . A 7 THR CG2 . 19611 1
37 . 1 1 8 8 CYS H H 1 8.250 0.003 . . . . . A 8 CYS H . 19611 1
38 . 1 1 8 8 CYS HA H 1 4.966 0.009 . . . . . A 8 CYS HA . 19611 1
39 . 1 1 8 8 CYS HB2 H 1 2.881 0.008 . . . . . A 8 CYS HB2 . 19611 1
40 . 1 1 8 8 CYS HB3 H 1 3.181 0.005 . . . . . A 8 CYS HB3 . 19611 1
41 . 1 1 8 8 CYS CA C 13 54.658 0.000 . . . . . A 8 CYS CA . 19611 1
42 . 1 1 8 8 CYS CB C 13 47.473 0.005 . . . . . A 8 CYS CB . 19611 1
43 . 1 1 9 9 VAL H H 1 8.553 0.005 . . . . . A 9 VAL H . 19611 1
44 . 1 1 9 9 VAL HA H 1 3.837 0.003 . . . . . A 9 VAL HA . 19611 1
45 . 1 1 9 9 VAL HB H 1 2.067 0.007 . . . . . A 9 VAL HB . 19611 1
46 . 1 1 9 9 VAL HG11 H 1 1.047 0.006 . . . . . A 9 VAL HG11 . 19611 1
47 . 1 1 9 9 VAL HG12 H 1 1.047 0.006 . . . . . A 9 VAL HG12 . 19611 1
48 . 1 1 9 9 VAL HG13 H 1 1.047 0.006 . . . . . A 9 VAL HG13 . 19611 1
49 . 1 1 9 9 VAL HG21 H 1 0.954 0.008 . . . . . A 9 VAL HG21 . 19611 1
50 . 1 1 9 9 VAL HG22 H 1 0.954 0.008 . . . . . A 9 VAL HG22 . 19611 1
51 . 1 1 9 9 VAL HG23 H 1 0.954 0.008 . . . . . A 9 VAL HG23 . 19611 1
52 . 1 1 9 9 VAL CA C 13 65.351 0.000 . . . . . A 9 VAL CA . 19611 1
53 . 1 1 9 9 VAL CB C 13 31.941 0.000 . . . . . A 9 VAL CB . 19611 1
54 . 1 1 9 9 VAL CG1 C 13 21.350 0.000 . . . . . A 9 VAL CG1 . 19611 1
55 . 1 1 9 9 VAL CG2 C 13 22.060 0.000 . . . . . A 9 VAL CG2 . 19611 1
56 . 1 1 10 10 GLY H H 1 8.696 0.002 . . . . . A 10 GLY H . 19611 1
57 . 1 1 10 10 GLY HA2 H 1 4.255 0.002 . . . . . A 10 GLY HA2 . 19611 1
58 . 1 1 10 10 GLY HA3 H 1 3.855 0.008 . . . . . A 10 GLY HA3 . 19611 1
59 . 1 1 10 10 GLY CA C 13 45.860 0.009 . . . . . A 10 GLY CA . 19611 1
60 . 1 1 11 11 GLY H H 1 8.251 0.006 . . . . . A 11 GLY H . 19611 1
61 . 1 1 11 11 GLY HA2 H 1 4.420 0.002 . . . . . A 11 GLY HA2 . 19611 1
62 . 1 1 11 11 GLY HA3 H 1 4.030 0.002 . . . . . A 11 GLY HA3 . 19611 1
63 . 1 1 11 11 GLY CA C 13 45.618 0.007 . . . . . A 11 GLY CA . 19611 1
64 . 1 1 12 12 THR H H 1 7.837 0.000 . . . . . A 12 THR H . 19611 1
65 . 1 1 12 12 THR HA H 1 4.706 0.000 . . . . . A 12 THR HA . 19611 1
66 . 1 1 12 12 THR HB H 1 4.101 0.009 . . . . . A 12 THR HB . 19611 1
67 . 1 1 12 12 THR HG21 H 1 1.144 0.010 . . . . . A 12 THR HG21 . 19611 1
68 . 1 1 12 12 THR HG22 H 1 1.144 0.010 . . . . . A 12 THR HG22 . 19611 1
69 . 1 1 12 12 THR HG23 H 1 1.144 0.010 . . . . . A 12 THR HG23 . 19611 1
70 . 1 1 12 12 THR CA C 13 60.867 0.000 . . . . . A 12 THR CA . 19611 1
71 . 1 1 12 12 THR CB C 13 71.561 0.000 . . . . . A 12 THR CB . 19611 1
72 . 1 1 12 12 THR CG2 C 13 21.483 0.000 . . . . . A 12 THR CG2 . 19611 1
73 . 1 1 13 13 CYS H H 1 8.564 0.003 . . . . . A 13 CYS H . 19611 1
74 . 1 1 13 13 CYS HA H 1 4.699 0.005 . . . . . A 13 CYS HA . 19611 1
75 . 1 1 13 13 CYS HB2 H 1 2.739 0.000 . . . . . A 13 CYS HB2 . 19611 1
76 . 1 1 13 13 CYS HB3 H 1 3.126 0.008 . . . . . A 13 CYS HB3 . 19611 1
77 . 1 1 13 13 CYS CA C 13 55.420 0.000 . . . . . A 13 CYS CA . 19611 1
78 . 1 1 13 13 CYS CB C 13 45.082 0.013 . . . . . A 13 CYS CB . 19611 1
79 . 1 1 14 14 ASN H H 1 10.716 0.001 . . . . . A 14 ASN H . 19611 1
80 . 1 1 14 14 ASN HA H 1 4.689 0.008 . . . . . A 14 ASN HA . 19611 1
81 . 1 1 14 14 ASN HB2 H 1 2.769 0.013 . . . . . A 14 ASN HB2 . 19611 1
82 . 1 1 14 14 ASN HB3 H 1 2.769 0.013 . . . . . A 14 ASN HB3 . 19611 1
83 . 1 1 14 14 ASN HD21 H 1 6.848 0.004 . . . . . A 14 ASN HD21 . 19611 1
84 . 1 1 14 14 ASN HD22 H 1 7.651 0.004 . . . . . A 14 ASN HD22 . 19611 1
85 . 1 1 14 14 ASN CA C 13 54.393 0.000 . . . . . A 14 ASN CA . 19611 1
86 . 1 1 14 14 ASN CB C 13 40.080 0.000 . . . . . A 14 ASN CB . 19611 1
87 . 1 1 15 15 THR H H 1 9.263 0.000 . . . . . A 15 THR H . 19611 1
88 . 1 1 15 15 THR HA H 1 4.361 0.005 . . . . . A 15 THR HA . 19611 1
89 . 1 1 15 15 THR HB H 1 4.171 0.002 . . . . . A 15 THR HB . 19611 1
90 . 1 1 15 15 THR HG21 H 1 1.309 0.009 . . . . . A 15 THR HG21 . 19611 1
91 . 1 1 15 15 THR HG22 H 1 1.309 0.009 . . . . . A 15 THR HG22 . 19611 1
92 . 1 1 15 15 THR HG23 H 1 1.309 0.009 . . . . . A 15 THR HG23 . 19611 1
93 . 1 1 15 15 THR CA C 13 61.905 0.000 . . . . . A 15 THR CA . 19611 1
94 . 1 1 15 15 THR CB C 13 69.574 0.000 . . . . . A 15 THR CB . 19611 1
95 . 1 1 15 15 THR CG2 C 13 21.714 0.000 . . . . . A 15 THR CG2 . 19611 1
96 . 1 1 16 16 PRO HA H 1 4.279 0.005 . . . . . A 16 PRO HA . 19611 1
97 . 1 1 16 16 PRO HB2 H 1 2.303 0.065 . . . . . A 16 PRO HB2 . 19611 1
98 . 1 1 16 16 PRO HB3 H 1 1.906 0.004 . . . . . A 16 PRO HB3 . 19611 1
99 . 1 1 16 16 PRO HG2 H 1 2.006 0.007 . . . . . A 16 PRO HG2 . 19611 1
100 . 1 1 16 16 PRO HG3 H 1 2.132 0.005 . . . . . A 16 PRO HG3 . 19611 1
101 . 1 1 16 16 PRO HD2 H 1 3.704 0.005 . . . . . A 16 PRO HD2 . 19611 1
102 . 1 1 16 16 PRO HD3 H 1 4.181 0.001 . . . . . A 16 PRO HD3 . 19611 1
103 . 1 1 16 16 PRO CA C 13 64.063 0.000 . . . . . A 16 PRO CA . 19611 1
104 . 1 1 16 16 PRO CB C 13 32.009 0.001 . . . . . A 16 PRO CB . 19611 1
105 . 1 1 16 16 PRO CG C 13 27.810 0.000 . . . . . A 16 PRO CG . 19611 1
106 . 1 1 16 16 PRO CD C 13 51.682 0.004 . . . . . A 16 PRO CD . 19611 1
107 . 1 1 17 17 GLY H H 1 8.740 0.003 . . . . . A 17 GLY H . 19611 1
108 . 1 1 17 17 GLY HA2 H 1 4.185 0.006 . . . . . A 17 GLY HA2 . 19611 1
109 . 1 1 17 17 GLY HA3 H 1 3.700 0.008 . . . . . A 17 GLY HA3 . 19611 1
110 . 1 1 17 17 GLY CA C 13 45.227 0.039 . . . . . A 17 GLY CA . 19611 1
111 . 1 1 18 18 CYS H H 1 7.646 0.007 . . . . . A 18 CYS H . 19611 1
112 . 1 1 18 18 CYS HA H 1 5.245 0.003 . . . . . A 18 CYS HA . 19611 1
113 . 1 1 18 18 CYS HB2 H 1 2.613 0.005 . . . . . A 18 CYS HB2 . 19611 1
114 . 1 1 18 18 CYS HB3 H 1 3.509 0.008 . . . . . A 18 CYS HB3 . 19611 1
115 . 1 1 18 18 CYS CA C 13 56.305 0.000 . . . . . A 18 CYS CA . 19611 1
116 . 1 1 18 18 CYS CB C 13 47.976 0.012 . . . . . A 18 CYS CB . 19611 1
117 . 1 1 19 19 THR H H 1 9.367 0.004 . . . . . A 19 THR H . 19611 1
118 . 1 1 19 19 THR HA H 1 4.516 0.002 . . . . . A 19 THR HA . 19611 1
119 . 1 1 19 19 THR HB H 1 3.996 0.008 . . . . . A 19 THR HB . 19611 1
120 . 1 1 19 19 THR HG21 H 1 1.127 0.009 . . . . . A 19 THR HG21 . 19611 1
121 . 1 1 19 19 THR HG22 H 1 1.127 0.009 . . . . . A 19 THR HG22 . 19611 1
122 . 1 1 19 19 THR HG23 H 1 1.127 0.009 . . . . . A 19 THR HG23 . 19611 1
123 . 1 1 19 19 THR CA C 13 60.497 0.000 . . . . . A 19 THR CA . 19611 1
124 . 1 1 19 19 THR CB C 13 71.556 0.000 . . . . . A 19 THR CB . 19611 1
125 . 1 1 19 19 THR CG2 C 13 21.326 0.000 . . . . . A 19 THR CG2 . 19611 1
126 . 1 1 20 20 CYS H H 1 8.917 0.005 . . . . . A 20 CYS H . 19611 1
127 . 1 1 20 20 CYS HA H 1 4.545 0.005 . . . . . A 20 CYS HA . 19611 1
128 . 1 1 20 20 CYS HB2 H 1 2.822 0.005 . . . . . A 20 CYS HB2 . 19611 1
129 . 1 1 20 20 CYS HB3 H 1 3.116 0.013 . . . . . A 20 CYS HB3 . 19611 1
130 . 1 1 20 20 CYS CA C 13 56.622 0.000 . . . . . A 20 CYS CA . 19611 1
131 . 1 1 20 20 CYS CB C 13 40.448 0.013 . . . . . A 20 CYS CB . 19611 1
132 . 1 1 21 21 SER H H 1 9.027 0.005 . . . . . A 21 SER H . 19611 1
133 . 1 1 21 21 SER HA H 1 4.713 0.009 . . . . . A 21 SER HA . 19611 1
134 . 1 1 21 21 SER HB2 H 1 3.717 0.005 . . . . . A 21 SER HB2 . 19611 1
135 . 1 1 21 21 SER HB3 H 1 3.849 0.007 . . . . . A 21 SER HB3 . 19611 1
136 . 1 1 21 21 SER CA C 13 56.649 0.000 . . . . . A 21 SER CA . 19611 1
137 . 1 1 21 21 SER CB C 13 61.794 0.007 . . . . . A 21 SER CB . 19611 1
138 . 1 1 22 22 TRP H H 1 8.128 0.005 . . . . . A 22 TRP H . 19611 1
139 . 1 1 22 22 TRP HA H 1 4.084 0.005 . . . . . A 22 TRP HA . 19611 1
140 . 1 1 22 22 TRP HB2 H 1 3.257 0.010 . . . . . A 22 TRP HB2 . 19611 1
141 . 1 1 22 22 TRP HB3 H 1 3.257 0.010 . . . . . A 22 TRP HB3 . 19611 1
142 . 1 1 22 22 TRP HD1 H 1 7.314 0.038 . . . . . A 22 TRP HD1 . 19611 1
143 . 1 1 22 22 TRP HE1 H 1 10.411 0.002 . . . . . A 22 TRP HE1 . 19611 1
144 . 1 1 22 22 TRP HE3 H 1 7.430 0.006 . . . . . A 22 TRP HE3 . 19611 1
145 . 1 1 22 22 TRP HZ2 H 1 7.518 0.081 . . . . . A 22 TRP HZ2 . 19611 1
146 . 1 1 22 22 TRP HZ3 H 1 7.126 0.005 . . . . . A 22 TRP HZ3 . 19611 1
147 . 1 1 22 22 TRP HH2 H 1 7.240 0.007 . . . . . A 22 TRP HH2 . 19611 1
148 . 1 1 22 22 TRP CA C 13 59.190 0.000 . . . . . A 22 TRP CA . 19611 1
149 . 1 1 22 22 TRP CB C 13 29.820 0.000 . . . . . A 22 TRP CB . 19611 1
150 . 1 1 23 23 PRO HA H 1 3.426 0.006 . . . . . A 23 PRO HA . 19611 1
151 . 1 1 23 23 PRO HB2 H 1 1.633 0.008 . . . . . A 23 PRO HB2 . 19611 1
152 . 1 1 23 23 PRO HB3 H 1 -0.265 0.003 . . . . . A 23 PRO HB3 . 19611 1
153 . 1 1 23 23 PRO HG2 H 1 1.185 0.027 . . . . . A 23 PRO HG2 . 19611 1
154 . 1 1 23 23 PRO HG3 H 1 1.256 0.000 . . . . . A 23 PRO HG3 . 19611 1
155 . 1 1 23 23 PRO HD2 H 1 3.195 0.007 . . . . . A 23 PRO HD2 . 19611 1
156 . 1 1 23 23 PRO HD3 H 1 3.195 0.007 . . . . . A 23 PRO HD3 . 19611 1
157 . 1 1 23 23 PRO CA C 13 64.961 0.000 . . . . . A 23 PRO CA . 19611 1
158 . 1 1 23 23 PRO CB C 13 31.840 0.043 . . . . . A 23 PRO CB . 19611 1
159 . 1 1 23 23 PRO CG C 13 24.245 0.011 . . . . . A 23 PRO CG . 19611 1
160 . 1 1 23 23 PRO CD C 13 48.800 0.000 . . . . . A 23 PRO CD . 19611 1
161 . 1 1 24 24 VAL H H 1 8.327 0.004 . . . . . A 24 VAL H . 19611 1
162 . 1 1 24 24 VAL HA H 1 4.326 0.003 . . . . . A 24 VAL HA . 19611 1
163 . 1 1 24 24 VAL HB H 1 1.980 0.013 . . . . . A 24 VAL HB . 19611 1
164 . 1 1 24 24 VAL HG11 H 1 0.794 0.005 . . . . . A 24 VAL HG11 . 19611 1
165 . 1 1 24 24 VAL HG12 H 1 0.794 0.005 . . . . . A 24 VAL HG12 . 19611 1
166 . 1 1 24 24 VAL HG13 H 1 0.794 0.005 . . . . . A 24 VAL HG13 . 19611 1
167 . 1 1 24 24 VAL HG21 H 1 0.794 0.005 . . . . . A 24 VAL HG21 . 19611 1
168 . 1 1 24 24 VAL HG22 H 1 0.794 0.005 . . . . . A 24 VAL HG22 . 19611 1
169 . 1 1 24 24 VAL HG23 H 1 0.794 0.005 . . . . . A 24 VAL HG23 . 19611 1
170 . 1 1 24 24 VAL CA C 13 61.667 0.000 . . . . . A 24 VAL CA . 19611 1
171 . 1 1 24 24 VAL CB C 13 35.192 0.000 . . . . . A 24 VAL CB . 19611 1
172 . 1 1 25 25 CYS H H 1 7.995 0.005 . . . . . A 25 CYS H . 19611 1
173 . 1 1 25 25 CYS HA H 1 5.066 0.006 . . . . . A 25 CYS HA . 19611 1
174 . 1 1 25 25 CYS HB2 H 1 2.659 0.005 . . . . . A 25 CYS HB2 . 19611 1
175 . 1 1 25 25 CYS HB3 H 1 3.209 0.165 . . . . . A 25 CYS HB3 . 19611 1
176 . 1 1 25 25 CYS CA C 13 56.578 0.000 . . . . . A 25 CYS CA . 19611 1
177 . 1 1 25 25 CYS CB C 13 44.927 0.000 . . . . . A 25 CYS CB . 19611 1
178 . 1 1 26 26 THR H H 1 9.587 0.003 . . . . . A 26 THR H . 19611 1
179 . 1 1 26 26 THR HA H 1 4.892 0.007 . . . . . A 26 THR HA . 19611 1
180 . 1 1 26 26 THR HB H 1 4.178 0.011 . . . . . A 26 THR HB . 19611 1
181 . 1 1 26 26 THR HG21 H 1 1.151 0.010 . . . . . A 26 THR HG21 . 19611 1
182 . 1 1 26 26 THR HG22 H 1 1.151 0.010 . . . . . A 26 THR HG22 . 19611 1
183 . 1 1 26 26 THR HG23 H 1 1.151 0.010 . . . . . A 26 THR HG23 . 19611 1
184 . 1 1 26 26 THR CA C 13 60.154 0.000 . . . . . A 26 THR CA . 19611 1
185 . 1 1 26 26 THR CB C 13 71.716 0.000 . . . . . A 26 THR CB . 19611 1
186 . 1 1 27 27 ARG H H 1 8.733 0.005 . . . . . A 27 ARG H . 19611 1
187 . 1 1 27 27 ARG HA H 1 4.660 0.008 . . . . . A 27 ARG HA . 19611 1
188 . 1 1 27 27 ARG HB2 H 1 1.756 0.005 . . . . . A 27 ARG HB2 . 19611 1
189 . 1 1 27 27 ARG HB3 H 1 1.876 0.010 . . . . . A 27 ARG HB3 . 19611 1
190 . 1 1 27 27 ARG HG2 H 1 1.695 0.006 . . . . . A 27 ARG HG2 . 19611 1
191 . 1 1 27 27 ARG HG3 H 1 1.695 0.006 . . . . . A 27 ARG HG3 . 19611 1
192 . 1 1 27 27 ARG HD2 H 1 3.183 0.000 . . . . . A 27 ARG HD2 . 19611 1
193 . 1 1 27 27 ARG HD3 H 1 3.183 0.000 . . . . . A 27 ARG HD3 . 19611 1
194 . 1 1 27 27 ARG HE H 1 7.077 0.003 . . . . . A 27 ARG HE . 19611 1
195 . 1 1 27 27 ARG CA C 13 56.249 0.000 . . . . . A 27 ARG CA . 19611 1
196 . 1 1 27 27 ARG CB C 13 30.883 0.003 . . . . . A 27 ARG CB . 19611 1
197 . 1 1 27 27 ARG CG C 13 27.347 0.000 . . . . . A 27 ARG CG . 19611 1
198 . 1 1 27 27 ARG CD C 13 43.217 0.000 . . . . . A 27 ARG CD . 19611 1
199 . 1 1 28 28 ASN H H 1 8.493 0.000 . . . . . A 28 ASN H . 19611 1
200 . 1 1 28 28 ASN HA H 1 4.643 0.004 . . . . . A 28 ASN HA . 19611 1
201 . 1 1 28 28 ASN HB2 H 1 2.813 0.008 . . . . . A 28 ASN HB2 . 19611 1
202 . 1 1 28 28 ASN HB3 H 1 2.813 0.008 . . . . . A 28 ASN HB3 . 19611 1
203 . 1 1 28 28 ASN HD21 H 1 6.902 0.005 . . . . . A 28 ASN HD21 . 19611 1
204 . 1 1 28 28 ASN HD22 H 1 7.550 0.005 . . . . . A 28 ASN HD22 . 19611 1
205 . 1 1 28 28 ASN CA C 13 53.073 0.000 . . . . . A 28 ASN CA . 19611 1
206 . 1 1 28 28 ASN CB C 13 38.786 0.000 . . . . . A 28 ASN CB . 19611 1
207 . 1 1 29 29 GLY H H 1 8.302 0.001 . . . . . A 29 GLY H . 19611 1
208 . 1 1 29 29 GLY HA2 H 1 3.944 0.002 . . . . . A 29 GLY HA2 . 19611 1
209 . 1 1 29 29 GLY HA3 H 1 3.770 0.000 . . . . . A 29 GLY HA3 . 19611 1
210 . 1 1 30 30 LEU H H 1 7.828 0.002 . . . . . A 30 LEU H . 19611 1
211 . 1 1 30 30 LEU HA H 1 4.640 0.007 . . . . . A 30 LEU HA . 19611 1
212 . 1 1 30 30 LEU HB2 H 1 1.549 0.009 . . . . . A 30 LEU HB2 . 19611 1
213 . 1 1 30 30 LEU HB3 H 1 1.549 0.009 . . . . . A 30 LEU HB3 . 19611 1
214 . 1 1 30 30 LEU HG H 1 1.616 0.010 . . . . . A 30 LEU HG . 19611 1
215 . 1 1 30 30 LEU HD11 H 1 0.909 0.000 . . . . . A 30 LEU HD11 . 19611 1
216 . 1 1 30 30 LEU HD12 H 1 0.909 0.000 . . . . . A 30 LEU HD12 . 19611 1
217 . 1 1 30 30 LEU HD13 H 1 0.909 0.000 . . . . . A 30 LEU HD13 . 19611 1
218 . 1 1 30 30 LEU HD21 H 1 0.909 0.000 . . . . . A 30 LEU HD21 . 19611 1
219 . 1 1 30 30 LEU HD22 H 1 0.909 0.000 . . . . . A 30 LEU HD22 . 19611 1
220 . 1 1 30 30 LEU HD23 H 1 0.909 0.000 . . . . . A 30 LEU HD23 . 19611 1
221 . 1 1 30 30 LEU CA C 13 53.338 0.000 . . . . . A 30 LEU CA . 19611 1
222 . 1 1 30 30 LEU CB C 13 41.738 0.010 . . . . . A 30 LEU CB . 19611 1
223 . 1 1 30 30 LEU CG C 13 27.184 0.000 . . . . . A 30 LEU CG . 19611 1
224 . 1 1 30 30 LEU CD1 C 13 25.301 0.000 . . . . . A 30 LEU CD1 . 19611 1
225 . 1 1 30 30 LEU CD2 C 13 23.298 0.000 . . . . . A 30 LEU CD2 . 19611 1
226 . 1 1 31 31 PRO HA H 1 4.474 0.000 . . . . . A 31 PRO HA . 19611 1
227 . 1 1 31 31 PRO HB2 H 1 2.271 0.005 . . . . . A 31 PRO HB2 . 19611 1
228 . 1 1 31 31 PRO HB3 H 1 1.880 0.009 . . . . . A 31 PRO HB3 . 19611 1
229 . 1 1 31 31 PRO HG2 H 1 2.015 0.010 . . . . . A 31 PRO HG2 . 19611 1
230 . 1 1 31 31 PRO HG3 H 1 2.015 0.010 . . . . . A 31 PRO HG3 . 19611 1
231 . 1 1 31 31 PRO HD2 H 1 3.616 0.009 . . . . . A 31 PRO HD2 . 19611 1
232 . 1 1 31 31 PRO HD3 H 1 3.834 0.005 . . . . . A 31 PRO HD3 . 19611 1
233 . 1 1 31 31 PRO CA C 13 63.088 0.000 . . . . . A 31 PRO CA . 19611 1
234 . 1 1 31 31 PRO CB C 13 32.146 0.009 . . . . . A 31 PRO CB . 19611 1
235 . 1 1 31 31 PRO CG C 13 27.593 0.000 . . . . . A 31 PRO CG . 19611 1
236 . 1 1 31 31 PRO CD C 13 50.598 0.000 . . . . . A 31 PRO CD . 19611 1
237 . 1 1 32 32 VAL H H 1 8.330 0.000 . . . . . A 32 VAL H . 19611 1
238 . 1 1 32 32 VAL HA H 1 4.166 0.000 . . . . . A 32 VAL HA . 19611 1
239 . 1 1 32 32 VAL HB H 1 2.085 0.007 . . . . . A 32 VAL HB . 19611 1
240 . 1 1 32 32 VAL HG11 H 1 0.935 0.010 . . . . . A 32 VAL HG11 . 19611 1
241 . 1 1 32 32 VAL HG12 H 1 0.935 0.010 . . . . . A 32 VAL HG12 . 19611 1
242 . 1 1 32 32 VAL HG13 H 1 0.935 0.010 . . . . . A 32 VAL HG13 . 19611 1
243 . 1 1 32 32 VAL HG21 H 1 0.935 0.010 . . . . . A 32 VAL HG21 . 19611 1
244 . 1 1 32 32 VAL HG22 H 1 0.935 0.010 . . . . . A 32 VAL HG22 . 19611 1
245 . 1 1 32 32 VAL HG23 H 1 0.935 0.010 . . . . . A 32 VAL HG23 . 19611 1
246 . 1 1 32 32 VAL CA C 13 62.342 0.000 . . . . . A 32 VAL CA . 19611 1
247 . 1 1 32 32 VAL CB C 13 32.691 0.000 . . . . . A 32 VAL CB . 19611 1
248 . 1 1 32 32 VAL CG1 C 13 20.642 0.000 . . . . . A 32 VAL CG1 . 19611 1
249 . 1 1 32 32 VAL CG2 C 13 20.642 0.000 . . . . . A 32 VAL CG2 . 19611 1
250 . 1 1 33 33 THR H H 1 8.124 0.000 . . . . . A 33 THR H . 19611 1
251 . 1 1 33 33 THR HA H 1 4.371 0.003 . . . . . A 33 THR HA . 19611 1
252 . 1 1 33 33 THR HB H 1 4.241 0.000 . . . . . A 33 THR HB . 19611 1
253 . 1 1 33 33 THR HG21 H 1 1.197 0.007 . . . . . A 33 THR HG21 . 19611 1
254 . 1 1 33 33 THR HG22 H 1 1.197 0.007 . . . . . A 33 THR HG22 . 19611 1
255 . 1 1 33 33 THR HG23 H 1 1.197 0.007 . . . . . A 33 THR HG23 . 19611 1
256 . 1 1 33 33 THR CA C 13 61.805 0.000 . . . . . A 33 THR CA . 19611 1
257 . 1 1 33 33 THR CB C 13 69.918 0.000 . . . . . A 33 THR CB . 19611 1
258 . 1 1 33 33 THR CG2 C 13 21.571 0.000 . . . . . A 33 THR CG2 . 19611 1
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