Content for NMR-STAR saveframe, "assigned_chemical_shifts_1"
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 51546
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name '1H NMR data for Cd6MTL-2'
_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 $chem_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 TOCSY' . . . 51546 1
2 '2D 1H-1H NOESY' . . . 51546 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
3 $software_3 . . 51546 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID
_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 2 2 VAL H H 1 7.713 0.001 . 1 . . . . . 2 VAL H . 51546 1
2 . 1 . 1 2 2 VAL HA H 1 4.364 0.004 . 1 . . . . . 2 VAL HA . 51546 1
3 . 1 . 1 2 2 VAL HB H 1 2.274 0.012 . . . . . . . 2 VAL HB . 51546 1
4 . 1 . 1 2 2 VAL HG21 H 1 0.949 0.004 . . . . . . . 2 VAL QG2 . 51546 1
5 . 1 . 1 2 2 VAL HG22 H 1 0.949 0.004 . . . . . . . 2 VAL QG2 . 51546 1
6 . 1 . 1 2 2 VAL HG23 H 1 0.949 0.004 . . . . . . . 2 VAL QG2 . 51546 1
7 . 1 . 1 3 3 CYS H H 1 8.426 0.002 . 1 . . . . . 3 CYS H . 51546 1
8 . 1 . 1 3 3 CYS HA H 1 4.185 0.003 . 1 . . . . . 3 CYS HA . 51546 1
9 . 1 . 1 3 3 CYS HB2 H 1 3.394 0.000 . 2 . . . . . 3 CYS HB2 . 51546 1
10 . 1 . 1 3 3 CYS HB3 H 1 3.004 0.000 . 2 . . . . . 3 CYS HB3 . 51546 1
11 . 1 . 1 4 4 LYS H H 1 9.689 0.001 . 1 . . . . . 4 LYS H . 51546 1
12 . 1 . 1 4 4 LYS HA H 1 4.204 0.005 . 1 . . . . . 4 LYS HA . 51546 1
13 . 1 . 1 4 4 LYS HB2 H 1 2.059 0.001 . 2 . . . . . 4 LYS HB2 . 51546 1
14 . 1 . 1 4 4 LYS HB3 H 1 1.989 0.002 . 2 . . . . . 4 LYS HB3 . 51546 1
15 . 1 . 1 4 4 LYS HG2 H 1 1.659 0.004 . 2 . . . . . 4 LYS QG . 51546 1
16 . 1 . 1 4 4 LYS HG3 H 1 1.659 0.004 . 2 . . . . . 4 LYS QG . 51546 1
17 . 1 . 1 4 4 LYS HE2 H 1 3.036 0.000 . 2 . . . . . 4 LYS QE . 51546 1
18 . 1 . 1 4 4 LYS HE3 H 1 3.036 0.000 . 2 . . . . . 4 LYS QE . 51546 1
19 . 1 . 1 7 7 CYS HA H 1 4.196 0.001 . 1 . . . . . 7 CYS HA . 51546 1
20 . 1 . 1 7 7 CYS HB2 H 1 2.581 0.0 . 1 . . . . . 7 CYS HB2 . 51546 1
21 . 1 . 1 7 7 CYS HB3 H 1 2.581 0.000 . 1 . . . . . 7 CYS HB3 . 51546 1
22 . 1 . 1 8 8 LYS H H 1 8.783 0.003 . 1 . . . . . 8 LYS H . 51546 1
23 . 1 . 1 8 8 LYS HA H 1 3.719 0.002 . 1 . . . . . 8 LYS HA . 51546 1
24 . 1 . 1 8 8 LYS HB2 H 1 2.143 0.000 . 2 . . . . . 8 LYS QB . 51546 1
25 . 1 . 1 8 8 LYS HB3 H 1 2.143 0.000 . 2 . . . . . 8 LYS QB . 51546 1
26 . 1 . 1 8 8 LYS HG2 H 1 1.519 0.000 . 2 . . . . . 8 LYS QG . 51546 1
27 . 1 . 1 8 8 LYS HG3 H 1 1.519 0.000 . 2 . . . . . 8 LYS QG . 51546 1
28 . 1 . 1 8 8 LYS HD2 H 1 1.631 0.000 . 2 . . . . . 8 LYS QD . 51546 1
29 . 1 . 1 8 8 LYS HD3 H 1 1.631 0.000 . 2 . . . . . 8 LYS QD . 51546 1
30 . 1 . 1 8 8 LYS HE2 H 1 3.011 0.002 . 2 . . . . . 8 LYS QE . 51546 1
31 . 1 . 1 8 8 LYS HE3 H 1 3.011 0.002 . 2 . . . . . 8 LYS QE . 51546 1
32 . 1 . 1 9 9 ASN H H 1 7.445 0.000 . 1 . . . . . 9 ASN H . 51546 1
33 . 1 . 1 9 9 ASN HA H 1 4.916 0.002 . 1 . . . . . 9 ASN HA . 51546 1
34 . 1 . 1 9 9 ASN HB2 H 1 3.010 0.000 . 2 . . . . . 9 ASN QB . 51546 1
35 . 1 . 1 9 9 ASN HB3 H 1 3.010 0.000 . 2 . . . . . 9 ASN QB . 51546 1
36 . 1 . 1 10 10 GLN H H 1 9.061 0.002 . 1 . . . . . 10 GLN H . 51546 1
37 . 1 . 1 10 10 GLN HA H 1 4.096 0.006 . 1 . . . . . 10 GLN HA . 51546 1
38 . 1 . 1 10 10 GLN HB2 H 1 2.018 0.007 . 2 . . . . . 10 GLN HB2 . 51546 1
39 . 1 . 1 10 10 GLN HB3 H 1 1.890 0.004 . 2 . . . . . 10 GLN HB3 . 51546 1
40 . 1 . 1 10 10 GLN HG2 H 1 2.244 0.000 . 2 . . . . . 10 GLN QG . 51546 1
41 . 1 . 1 10 10 GLN HG3 H 1 2.244 0.000 . 2 . . . . . 10 GLN QG . 51546 1
42 . 1 . 1 11 11 ASN H H 1 8.039 0.003 . 1 . . . . . 11 ASN H . 51546 1
43 . 1 . 1 11 11 ASN HA H 1 4.773 0.000 . 1 . . . . . 11 ASN HA . 51546 1
44 . 1 . 1 11 11 ASN HB2 H 1 2.929 0.003 . 2 . . . . . 11 ASN HB2 . 51546 1
45 . 1 . 1 11 11 ASN HB3 H 1 2.647 0.002 . 2 . . . . . 11 ASN HB3 . 51546 1
46 . 1 . 1 11 11 ASN HD21 H 1 7.374 0.004 . 2 . . . . . 11 ASN HD21 . 51546 1
47 . 1 . 1 11 11 ASN HD22 H 1 7.092 0.002 . 2 . . . . . 11 ASN HD22 . 51546 1
48 . 1 . 1 12 12 CYS H H 1 7.153 0.004 . 1 . . . . . 12 CYS H . 51546 1
49 . 1 . 1 12 12 CYS HA H 1 4.280 0.002 . 1 . . . . . 12 CYS HA . 51546 1
50 . 1 . 1 12 12 CYS HB2 H 1 3.195 0.002 . 2 . . . . . 12 CYS HB2 . 51546 1
51 . 1 . 1 12 12 CYS HB3 H 1 3.130 0.004 . 2 . . . . . 12 CYS HB3 . 51546 1
52 . 1 . 1 14 14 CYS H H 1 8.648 0.003 . 1 . . . . . 14 CYS H . 51546 1
53 . 1 . 1 14 14 CYS HA H 1 3.933 0.000 . 1 . . . . . 14 CYS HA . 51546 1
54 . 1 . 1 14 14 CYS HB2 H 1 3.401 0.000 . 2 . . . . . 14 CYS HB2 . 51546 1
55 . 1 . 1 14 14 CYS HB3 H 1 2.900 0.000 . 2 . . . . . 14 CYS HB3 . 51546 1
56 . 1 . 1 15 15 ASN H H 1 7.961 0.005 . 1 . . . . . 15 ASN H . 51546 1
57 . 1 . 1 15 15 ASN HA H 1 5.023 0.000 . 1 . . . . . 15 ASN HA . 51546 1
58 . 1 . 1 15 15 ASN HB2 H 1 2.752 0.0 . 1 . . . . . 15 ASN HB2 . 51546 1
59 . 1 . 1 15 15 ASN HB3 H 1 2.752 0.000 . 1 . . . . . 15 ASN HB3 . 51546 1
60 . 1 . 1 16 16 THR H H 1 7.699 0.003 . 1 . . . . . 16 THR H . 51546 1
61 . 1 . 1 16 16 THR HA H 1 4.431 0.002 . 1 . . . . . 16 THR HA . 51546 1
62 . 1 . 1 16 16 THR HG21 H 1 1.261 0.001 . . . . . . . 16 THR QG2 . 51546 1
63 . 1 . 1 16 16 THR HG22 H 1 1.261 0.001 . . . . . . . 16 THR QG2 . 51546 1
64 . 1 . 1 16 16 THR HG23 H 1 1.261 0.001 . . . . . . . 16 THR QG2 . 51546 1
65 . 1 . 1 17 17 GLY H H 1 8.049 0.002 . 1 . . . . . 17 GLY H . 51546 1
66 . 1 . 1 17 17 GLY HA2 H 1 4.114 0.000 . 2 . . . . . 17 GLY QA . 51546 1
67 . 1 . 1 17 17 GLY HA3 H 1 4.114 0.000 . 2 . . . . . 17 GLY QA . 51546 1
68 . 1 . 1 18 18 THR HA H 1 4.507 0.005 . 1 . . . . . 18 THR HA . 51546 1
69 . 1 . 1 18 18 THR HB H 1 4.292 0.000 . 1 . . . . . 18 THR HB . 51546 1
70 . 1 . 1 18 18 THR HG21 H 1 1.333 0.001 . . . . . . . 18 THR QG2 . 51546 1
71 . 1 . 1 18 18 THR HG22 H 1 1.333 0.001 . . . . . . . 18 THR QG2 . 51546 1
72 . 1 . 1 18 18 THR HG23 H 1 1.333 0.001 . . . . . . . 18 THR QG2 . 51546 1
73 . 1 . 1 19 19 LYS H H 1 7.771 0.001 . 1 . . . . . 19 LYS H . 51546 1
74 . 1 . 1 19 19 LYS HA H 1 4.515 0.001 . 1 . . . . . 19 LYS HA . 51546 1
75 . 1 . 1 19 19 LYS HB2 H 1 1.823 0.003 . 2 . . . . . 19 LYS HB2 . 51546 1
76 . 1 . 1 19 19 LYS HB3 H 1 1.757 0.007 . 2 . . . . . 19 LYS HB3 . 51546 1
77 . 1 . 1 19 19 LYS HG2 H 1 1.289 0.008 . 2 . . . . . 19 LYS QG . 51546 1
78 . 1 . 1 19 19 LYS HG3 H 1 1.289 0.008 . 2 . . . . . 19 LYS QG . 51546 1
79 . 1 . 1 19 19 LYS HD2 H 1 1.551 0.000 . 2 . . . . . 19 LYS QD . 51546 1
80 . 1 . 1 19 19 LYS HD3 H 1 1.551 0.000 . 2 . . . . . 19 LYS QD . 51546 1
81 . 1 . 1 20 20 ASP H H 1 8.152 0.001 . 1 . . . . . 20 ASP H . 51546 1
82 . 1 . 1 20 20 ASP HA H 1 4.610 0.002 . 1 . . . . . 20 ASP HA . 51546 1
83 . 1 . 1 20 20 ASP HB2 H 1 2.645 0.002 . 2 . . . . . 20 ASP HB2 . 51546 1
84 . 1 . 1 20 20 ASP HB3 H 1 2.460 0.001 . 2 . . . . . 20 ASP HB3 . 51546 1
85 . 1 . 1 21 21 CYS H H 1 8.298 0.001 . 1 . . . . . 21 CYS H . 51546 1
86 . 1 . 1 21 21 CYS HA H 1 5.270 0.002 . 1 . . . . . 21 CYS HA . 51546 1
87 . 1 . 1 21 21 CYS HB2 H 1 3.255 0.003 . 2 . . . . . 21 CYS HB2 . 51546 1
88 . 1 . 1 21 21 CYS HB3 H 1 3.076 0.005 . 2 . . . . . 21 CYS HB3 . 51546 1
89 . 1 . 1 22 22 ASP H H 1 8.267 0.004 . 1 . . . . . 22 ASP H . 51546 1
90 . 1 . 1 22 22 ASP HA H 1 4.834 0.004 . 1 . . . . . 22 ASP HA . 51546 1
91 . 1 . 1 22 22 ASP HB2 H 1 2.954 0.000 . 2 . . . . . 22 ASP HB2 . 51546 1
92 . 1 . 1 22 22 ASP HB3 H 1 2.531 0.001 . 2 . . . . . 22 ASP HB3 . 51546 1
93 . 1 . 1 23 23 CYS H H 1 8.604 0.002 . 1 . . . . . 23 CYS H . 51546 1
94 . 1 . 1 23 23 CYS HA H 1 4.438 0.003 . 1 . . . . . 23 CYS HA . 51546 1
95 . 1 . 1 23 23 CYS HB2 H 1 3.301 0.003 . 2 . . . . . 23 CYS HB2 . 51546 1
96 . 1 . 1 23 23 CYS HB3 H 1 2.825 0.000 . 2 . . . . . 23 CYS HB3 . 51546 1
97 . 1 . 1 24 24 SER H H 1 9.296 0.002 . 1 . . . . . 24 SER H . 51546 1
98 . 1 . 1 24 24 SER HA H 1 4.669 0.001 . 1 . . . . . 24 SER HA . 51546 1
99 . 1 . 1 24 24 SER HB2 H 1 4.112 0.000 . 2 . . . . . 24 SER HB2 . 51546 1
100 . 1 . 1 24 24 SER HB3 H 1 3.852 0.000 . 2 . . . . . 24 SER HB3 . 51546 1
101 . 1 . 1 25 25 ASP HA H 1 4.413 0.005 . 1 . . . . . 25 ASP HA . 51546 1
102 . 1 . 1 25 25 ASP HB2 H 1 2.691 0.000 . 2 . . . . . 25 ASP HB2 . 51546 1
103 . 1 . 1 25 25 ASP HB3 H 1 2.647 0.000 . 2 . . . . . 25 ASP HB3 . 51546 1
104 . 1 . 1 26 26 ALA H H 1 8.077 0.001 . 1 . . . . . 26 ALA H . 51546 1
105 . 1 . 1 26 26 ALA HA H 1 4.295 0.003 . 1 . . . . . 26 ALA HA . 51546 1
106 . 1 . 1 26 26 ALA HB1 H 1 1.326 0.001 . . . . . . . 26 ALA HB# . 51546 1
107 . 1 . 1 26 26 ALA HB2 H 1 1.326 0.001 . . . . . . . 26 ALA HB# . 51546 1
108 . 1 . 1 26 26 ALA HB3 H 1 1.326 0.001 . . . . . . . 26 ALA HB# . 51546 1
109 . 1 . 1 27 27 LYS H H 1 8.445 0.001 . 1 . . . . . 27 LYS H . 51546 1
110 . 1 . 1 27 27 LYS HA H 1 4.292 0.004 . 1 . . . . . 27 LYS HA . 51546 1
111 . 1 . 1 27 27 LYS HB2 H 1 1.942 0.000 . 2 . . . . . 27 LYS QB . 51546 1
112 . 1 . 1 27 27 LYS HB3 H 1 1.942 0.000 . 2 . . . . . 27 LYS QB . 51546 1
113 . 1 . 1 27 27 LYS HG2 H 1 1.265 0.000 . 2 . . . . . 27 LYS QG . 51546 1
114 . 1 . 1 27 27 LYS HG3 H 1 1.265 0.000 . 2 . . . . . 27 LYS QG . 51546 1
115 . 1 . 1 28 28 CYS H H 1 8.725 0.000 . 1 . . . . . 28 CYS H . 51546 1
116 . 1 . 1 28 28 CYS HA H 1 3.983 0.005 . 1 . . . . . 28 CYS HA . 51546 1
117 . 1 . 1 28 28 CYS HB2 H 1 3.453 0.004 . 2 . . . . . 28 CYS HB2 . 51546 1
118 . 1 . 1 28 28 CYS HB3 H 1 2.878 0.003 . 2 . . . . . 28 CYS HB3 . 51546 1
119 . 1 . 1 29 29 CYS H H 1 7.679 0.002 . 1 . . . . . 29 CYS H . 51546 1
120 . 1 . 1 29 29 CYS HA H 1 5.048 0.010 . 1 . . . . . 29 CYS HA . 51546 1
121 . 1 . 1 29 29 CYS HB2 H 1 3.102 0.000 . 2 . . . . . 29 CYS HB2 . 51546 1
122 . 1 . 1 29 29 CYS HB3 H 1 2.792 0.010 . 2 . . . . . 29 CYS HB3 . 51546 1
123 . 1 . 1 30 30 GLU H H 1 8.700 0.002 . 1 . . . . . 30 GLU H . 51546 1
124 . 1 . 1 30 30 GLU HA H 1 4.233 0.004 . 1 . . . . . 30 GLU HA . 51546 1
125 . 1 . 1 30 30 GLU HB2 H 1 1.908 0.004 . 2 . . . . . 30 GLU HB2 . 51546 1
126 . 1 . 1 30 30 GLU HB3 H 1 1.802 0.002 . 2 . . . . . 30 GLU HB3 . 51546 1
127 . 1 . 1 30 30 GLU HG2 H 1 2.343 0.003 . 2 . . . . . 30 GLU HG2 . 51546 1
128 . 1 . 1 30 30 GLU HG3 H 1 2.175 0.006 . 2 . . . . . 30 GLU HG3 . 51546 1
129 . 1 . 1 31 31 GLN H H 1 8.082 0.002 . 1 . . . . . 31 GLN H . 51546 1
130 . 1 . 1 31 31 GLN HA H 1 4.947 0.005 . 1 . . . . . 31 GLN HA . 51546 1
131 . 1 . 1 31 31 GLN HB2 H 1 2.414 0.006 . 2 . . . . . 31 GLN HB2 . 51546 1
132 . 1 . 1 31 31 GLN HB3 H 1 2.087 0.000 . 2 . . . . . 31 GLN HB3 . 51546 1
133 . 1 . 1 31 31 GLN HG2 H 1 1.694 0.000 . 2 . . . . . 31 GLN QG . 51546 1
134 . 1 . 1 31 31 GLN HG3 H 1 1.694 0.000 . 2 . . . . . 31 GLN QG . 51546 1
135 . 1 . 1 31 31 GLN HE21 H 1 7.624 0.004 . 2 . . . . . 31 GLN HE21 . 51546 1
136 . 1 . 1 31 31 GLN HE22 H 1 8.339 0.002 . 2 . . . . . 31 GLN HE22 . 51546 1
137 . 1 . 1 32 32 TYR H H 1 8.777 0.001 . 1 . . . . . 32 TYR H . 51546 1
138 . 1 . 1 32 32 TYR HA H 1 4.825 0.006 . 1 . . . . . 32 TYR HA . 51546 1
139 . 1 . 1 32 32 TYR HB2 H 1 3.071 0.007 . 2 . . . . . 32 TYR HB2 . 51546 1
140 . 1 . 1 32 32 TYR HB3 H 1 2.585 0.002 . 2 . . . . . 32 TYR HB3 . 51546 1
141 . 1 . 1 32 32 TYR HD1 H 1 6.910 0.002 . 3 . . . . . 32 TYR QD . 51546 1
142 . 1 . 1 32 32 TYR HD2 H 1 6.910 0.002 . 3 . . . . . 32 TYR QD . 51546 1
143 . 1 . 1 32 32 TYR HE1 H 1 6.731 0.003 . 3 . . . . . 32 TYR QE . 51546 1
144 . 1 . 1 32 32 TYR HE2 H 1 6.731 0.003 . 3 . . . . . 32 TYR QE . 51546 1
145 . 1 . 1 33 33 CYS H H 1 8.166 0.002 . 1 . . . . . 33 CYS H . 51546 1
146 . 1 . 1 33 33 CYS HA H 1 4.273 0.002 . 1 . . . . . 33 CYS HA . 51546 1
147 . 1 . 1 33 33 CYS HB2 H 1 3.269 0.006 . 2 . . . . . 33 CYS HB2 . 51546 1
148 . 1 . 1 33 33 CYS HB3 H 1 2.981 0.010 . 2 . . . . . 33 CYS HB3 . 51546 1
149 . 1 . 1 34 34 CYS H H 1 7.530 0.002 . 1 . . . . . 34 CYS H . 51546 1
150 . 1 . 1 34 34 CYS HA H 1 4.901 0.002 . 1 . . . . . 34 CYS HA . 51546 1
151 . 1 . 1 34 34 CYS HB2 H 1 3.444 0.002 . 2 . . . . . 34 CYS HB2 . 51546 1
152 . 1 . 1 34 34 CYS HB3 H 1 3.114 0.004 . 2 . . . . . 34 CYS HB3 . 51546 1
153 . 1 . 1 35 35 PRO HA H 1 4.925 0.003 . 1 . . . . . 35 PRO HA . 51546 1
154 . 1 . 1 35 35 PRO HB2 H 1 2.297 0.004 . 2 . . . . . 35 PRO HB2 . 51546 1
155 . 1 . 1 35 35 PRO HB3 H 1 2.023 0.003 . 2 . . . . . 35 PRO HB3 . 51546 1
156 . 1 . 1 35 35 PRO HG2 H 1 1.775 0.003 . 2 . . . . . 35 PRO HG . 51546 1
157 . 1 . 1 35 35 PRO HG3 H 1 1.775 0.003 . 2 . . . . . 35 PRO HG . 51546 1
158 . 1 . 1 35 35 PRO HD2 H 1 4.225 0.003 . 2 . . . . . 35 PRO HD2 . 51546 1
159 . 1 . 1 35 35 PRO HD3 H 1 3.749 0.003 . 2 . . . . . 35 PRO HD3 . 51546 1
160 . 1 . 1 36 36 THR H H 1 7.933 0.002 . 1 . . . . . 36 THR H . 51546 1
161 . 1 . 1 36 36 THR HA H 1 4.504 0.002 . 1 . . . . . 36 THR HA . 51546 1
162 . 1 . 1 36 36 THR HB H 1 4.066 0.002 . 1 . . . . . 36 THR HB . 51546 1
163 . 1 . 1 36 36 THR HG21 H 1 1.336 0.002 . . . . . . . 36 THR QG2 . 51546 1
164 . 1 . 1 36 36 THR HG22 H 1 1.336 0.002 . . . . . . . 36 THR QG2 . 51546 1
165 . 1 . 1 36 36 THR HG23 H 1 1.336 0.002 . . . . . . . 36 THR QG2 . 51546 1
166 . 1 . 1 37 37 ALA H H 1 8.924 0.002 . 1 . . . . . 37 ALA H . 51546 1
167 . 1 . 1 37 37 ALA HA H 1 4.747 0.003 . 1 . . . . . 37 ALA HA . 51546 1
168 . 1 . 1 37 37 ALA HB1 H 1 1.801 0.005 . . . . . . . 37 ALA HB# . 51546 1
169 . 1 . 1 37 37 ALA HB2 H 1 1.801 0.005 . . . . . . . 37 ALA HB# . 51546 1
170 . 1 . 1 37 37 ALA HB3 H 1 1.801 0.005 . . . . . . . 37 ALA HB# . 51546 1
171 . 1 . 1 38 38 SER H H 1 7.337 0.002 . 1 . . . . . 38 SER H . 51546 1
172 . 1 . 1 38 38 SER HA H 1 2.375 0.004 . 1 . . . . . 38 SER HA . 51546 1
173 . 1 . 1 38 38 SER HB2 H 1 3.794 0.004 . 2 . . . . . 38 SER HB2 . 51546 1
174 . 1 . 1 38 38 SER HB3 H 1 3.482 0.002 . 2 . . . . . 38 SER HB3 . 51546 1
175 . 1 . 1 38 38 SER HG H 1 6.338 0.003 . 1 . . . . . 38 SER HG . 51546 1
176 . 1 . 1 39 39 GLU H H 1 7.122 0.002 . 1 . . . . . 39 GLU H . 51546 1
177 . 1 . 1 39 39 GLU HA H 1 4.337 0.005 . 1 . . . . . 39 GLU HA . 51546 1
178 . 1 . 1 39 39 GLU HB2 H 1 2.084 0.000 . 2 . . . . . 39 GLU QB . 51546 1
179 . 1 . 1 39 39 GLU HB3 H 1 2.084 0.000 . 2 . . . . . 39 GLU QB . 51546 1
180 . 1 . 1 39 39 GLU HG2 H 1 2.257 0.005 . 2 . . . . . 39 GLU QG . 51546 1
181 . 1 . 1 39 39 GLU HG3 H 1 2.257 0.005 . 2 . . . . . 39 GLU QG . 51546 1
182 . 1 . 1 40 40 LYS H H 1 8.474 0.004 . 1 . . . . . 40 LYS H . 51546 1
183 . 1 . 1 40 40 LYS HA H 1 4.068 0.001 . 1 . . . . . 40 LYS HA . 51546 1
184 . 1 . 1 40 40 LYS HB2 H 1 1.979 0.003 . 2 . . . . . 40 LYS HB2 . 51546 1
185 . 1 . 1 40 40 LYS HB3 H 1 1.811 0.003 . 2 . . . . . 40 LYS HB3 . 51546 1
186 . 1 . 1 40 40 LYS HG2 H 1 1.423 0.005 . 2 . . . . . 40 LYS QG . 51546 1
187 . 1 . 1 40 40 LYS HG3 H 1 1.423 0.005 . 2 . . . . . 40 LYS QG . 51546 1
188 . 1 . 1 40 40 LYS HD2 H 1 1.623 0.004 . 2 . . . . . 40 LYS QD . 51546 1
189 . 1 . 1 40 40 LYS HD3 H 1 1.623 0.004 . 2 . . . . . 40 LYS QD . 51546 1
190 . 1 . 1 40 40 LYS HE2 H 1 3.027 0.001 . 2 . . . . . 40 LYS QE . 51546 1
191 . 1 . 1 40 40 LYS HE3 H 1 3.027 0.001 . 2 . . . . . 40 LYS QE . 51546 1
192 . 1 . 1 41 41 LYS H H 1 8.773 0.002 . 1 . . . . . 41 LYS H . 51546 1
193 . 1 . 1 41 41 LYS HA H 1 4.109 0.006 . 1 . . . . . 41 LYS HA . 51546 1
194 . 1 . 1 41 41 LYS HB2 H 1 2.104 0.003 . 2 . . . . . 41 LYS HB2 . 51546 1
195 . 1 . 1 41 41 LYS HB3 H 1 2.025 0.006 . 2 . . . . . 41 LYS HB3 . 51546 1
196 . 1 . 1 41 41 LYS HG2 H 1 1.344 0.002 . 2 . . . . . 41 LYS HG2 . 51546 1
197 . 1 . 1 41 41 LYS HG3 H 1 1.245 0.003 . 2 . . . . . 41 LYS HG3 . 51546 1
198 . 1 . 1 41 41 LYS HD2 H 1 1.626 0.001 . 2 . . . . . 41 LYS QD . 51546 1
199 . 1 . 1 41 41 LYS HD3 H 1 1.626 0.001 . 2 . . . . . 41 LYS QD . 51546 1
200 . 1 . 1 41 41 LYS HE2 H 1 3.032 0.005 . 2 . . . . . 41 LYS QE . 51546 1
201 . 1 . 1 41 41 LYS HE3 H 1 3.032 0.005 . 2 . . . . . 41 LYS QE . 51546 1
202 . 1 . 1 42 42 CYS H H 1 7.677 0.001 . 1 . . . . . 42 CYS H . 51546 1
203 . 1 . 1 42 42 CYS HA H 1 4.382 0.002 . 1 . . . . . 42 CYS HA . 51546 1
204 . 1 . 1 42 42 CYS HB2 H 1 2.934 0.001 . 2 . . . . . 42 CYS HB2 . 51546 1
205 . 1 . 1 42 42 CYS HB3 H 1 2.774 0.002 . 2 . . . . . 42 CYS HB3 . 51546 1
206 . 1 . 1 43 43 CYS H H 1 7.180 0.003 . 1 . . . . . 43 CYS H . 51546 1
207 . 1 . 1 43 43 CYS HA H 1 4.776 0.001 . 1 . . . . . 43 CYS HA . 51546 1
208 . 1 . 1 43 43 CYS HB2 H 1 3.251 0.002 . 2 . . . . . 43 CYS HB2 . 51546 1
209 . 1 . 1 43 43 CYS HB3 H 1 2.869 0.004 . 2 . . . . . 43 CYS HB3 . 51546 1
210 . 1 . 1 44 44 LYS H H 1 8.513 0.002 . 1 . . . . . 44 LYS H . 51546 1
211 . 1 . 1 44 44 LYS HA H 1 4.262 0.003 . 1 . . . . . 44 LYS HA . 51546 1
212 . 1 . 1 44 44 LYS HB2 H 1 1.870 0.002 . 2 . . . . . 44 LYS HB2 . 51546 1
213 . 1 . 1 44 44 LYS HB3 H 1 1.733 0.005 . 2 . . . . . 44 LYS HB3 . 51546 1
214 . 1 . 1 44 44 LYS HG2 H 1 1.526 0.003 . 2 . . . . . 44 LYS HG2 . 51546 1
215 . 1 . 1 44 44 LYS HG3 H 1 1.461 0.002 . 2 . . . . . 44 LYS HG3 . 51546 1
216 . 1 . 1 44 44 LYS HD2 H 1 1.688 0.000 . 2 . . . . . 44 LYS QD . 51546 1
217 . 1 . 1 44 44 LYS HD3 H 1 1.688 0.000 . 2 . . . . . 44 LYS QD . 51546 1
218 . 1 . 1 44 44 LYS HE2 H 1 3.007 0.003 . 2 . . . . . 44 LYS QE . 51546 1
219 . 1 . 1 44 44 LYS HE3 H 1 3.007 0.003 . 2 . . . . . 44 LYS QE . 51546 1
220 . 1 . 1 45 45 SER H H 1 8.413 0.003 . 1 . . . . . 45 SER H . 51546 1
221 . 1 . 1 45 45 SER HA H 1 3.574 0.004 . 1 . . . . . 45 SER HA . 51546 1
222 . 1 . 1 45 45 SER HB2 H 1 3.545 0.003 . 2 . . . . . 45 SER HB2 . 51546 1
223 . 1 . 1 45 45 SER HB3 H 1 3.446 0.002 . 2 . . . . . 45 SER HB3 . 51546 1
224 . 1 . 1 46 46 GLY H H 1 8.702 0.002 . 1 . . . . . 46 GLY H . 51546 1
225 . 1 . 1 46 46 GLY HA2 H 1 4.149 0.005 . 2 . . . . . 46 GLY HA2 . 51546 1
226 . 1 . 1 46 46 GLY HA3 H 1 3.412 0.005 . 2 . . . . . 46 GLY HA3 . 51546 1
227 . 1 . 1 47 47 CYS H H 1 7.221 0.001 . 1 . . . . . 47 CYS H . 51546 1
228 . 1 . 1 47 47 CYS HA H 1 3.998 0.002 . 1 . . . . . 47 CYS HA . 51546 1
229 . 1 . 1 47 47 CYS HB2 H 1 3.229 0.005 . 2 . . . . . 47 CYS HB2 . 51546 1
230 . 1 . 1 47 47 CYS HB3 H 1 2.912 0.005 . 2 . . . . . 47 CYS HB3 . 51546 1
231 . 1 . 1 48 48 ALA H H 1 8.581 0.004 . 1 . . . . . 48 ALA H . 51546 1
232 . 1 . 1 48 48 ALA HA H 1 4.374 0.003 . 1 . . . . . 48 ALA HA . 51546 1
233 . 1 . 1 48 48 ALA HB1 H 1 1.449 0.001 . . . . . . . 48 ALA HB# . 51546 1
234 . 1 . 1 48 48 ALA HB2 H 1 1.449 0.001 . . . . . . . 48 ALA HB# . 51546 1
235 . 1 . 1 48 48 ALA HB3 H 1 1.449 0.001 . . . . . . . 48 ALA HB# . 51546 1
236 . 1 . 1 49 49 GLY H H 1 8.972 0.002 . 1 . . . . . 49 GLY H . 51546 1
237 . 1 . 1 49 49 GLY HA2 H 1 4.517 0.002 . 2 . . . . . 49 GLY HA2 . 51546 1
238 . 1 . 1 49 49 GLY HA3 H 1 4.235 0.007 . 2 . . . . . 49 GLY HA3 . 51546 1
239 . 1 . 1 50 50 GLY HA2 H 1 4.086 0.003 . 2 . . . . . 50 GLY HA2 . 51546 1
240 . 1 . 1 50 50 GLY HA3 H 1 3.817 0.003 . 2 . . . . . 50 GLY HA3 . 51546 1
241 . 1 . 1 51 51 CYS H H 1 8.119 0.002 . 1 . . . . . 51 CYS H . 51546 1
242 . 1 . 1 51 51 CYS HA H 1 4.153 0.002 . 1 . . . . . 51 CYS HA . 51546 1
243 . 1 . 1 51 51 CYS HB2 H 1 2.902 0.001 . 2 . . . . . 51 CYS HB2 . 51546 1
244 . 1 . 1 51 51 CYS HB3 H 1 2.770 0.002 . 2 . . . . . 51 CYS HB3 . 51546 1
245 . 1 . 1 52 52 LYS H H 1 8.640 0.002 . 1 . . . . . 52 LYS H . 51546 1
246 . 1 . 1 52 52 LYS HA H 1 3.732 0.004 . 1 . . . . . 52 LYS HA . 51546 1
247 . 1 . 1 52 52 LYS HB2 H 1 1.883 0.002 . 2 . . . . . 52 LYS HB2 . 51546 1
248 . 1 . 1 52 52 LYS HB3 H 1 1.648 0.000 . 2 . . . . . 52 LYS HB3 . 51546 1
249 . 1 . 1 52 52 LYS HG2 H 1 1.257 0.005 . 2 . . . . . 52 LYS QG . 51546 1
250 . 1 . 1 52 52 LYS HG3 H 1 1.257 0.005 . 2 . . . . . 52 LYS QG . 51546 1
251 . 1 . 1 52 52 LYS HD2 H 1 1.648 0.003 . 2 . . . . . 52 LYS QD . 51546 1
252 . 1 . 1 52 52 LYS HD3 H 1 1.648 0.003 . 2 . . . . . 52 LYS QD . 51546 1
253 . 1 . 1 53 53 CYS H H 1 7.512 0.002 . 1 . . . . . 53 CYS H . 51546 1
254 . 1 . 1 53 53 CYS HA H 1 3.935 0.003 . 1 . . . . . 53 CYS HA . 51546 1
255 . 1 . 1 53 53 CYS HB2 H 1 3.163 0.006 . 2 . . . . . 53 CYS HB2 . 51546 1
256 . 1 . 1 53 53 CYS HB3 H 1 2.765 0.005 . 2 . . . . . 53 CYS HB3 . 51546 1
257 . 1 . 1 54 54 ALA H H 1 8.468 0.001 . 1 . . . . . 54 ALA H . 51546 1
258 . 1 . 1 54 54 ALA HA H 1 4.147 0.001 . 1 . . . . . 54 ALA HA . 51546 1
259 . 1 . 1 54 54 ALA HB1 H 1 1.399 0.003 . . . . . . . 54 ALA HB# . 51546 1
260 . 1 . 1 54 54 ALA HB2 H 1 1.399 0.003 . . . . . . . 54 ALA HB# . 51546 1
261 . 1 . 1 54 54 ALA HB3 H 1 1.399 0.003 . . . . . . . 54 ALA HB# . 51546 1
262 . 1 . 1 55 55 ASN H H 1 9.188 0.002 . 1 . . . . . 55 ASN H . 51546 1
263 . 1 . 1 55 55 ASN HA H 1 4.770 0.007 . 1 . . . . . 55 ASN HA . 51546 1
264 . 1 . 1 55 55 ASN HB2 H 1 2.737 0.001 . 2 . . . . . 55 ASN HB2 . 51546 1
265 . 1 . 1 55 55 ASN HB3 H 1 2.645 0.002 . 2 . . . . . 55 ASN HB3 . 51546 1
266 . 1 . 1 55 55 ASN HD21 H 1 7.267 0.001 . 2 . . . . . 55 ASN HD21 . 51546 1
267 . 1 . 1 55 55 ASN HD22 H 1 7.119 0.001 . 2 . . . . . 55 ASN HD22 . 51546 1
268 . 1 . 1 56 56 CYS H H 1 7.472 0.002 . 1 . . . . . 56 CYS H . 51546 1
269 . 1 . 1 56 56 CYS HA H 1 5.134 0.003 . 1 . . . . . 56 CYS HA . 51546 1
270 . 1 . 1 56 56 CYS HB2 H 1 3.335 0.002 . 2 . . . . . 56 CYS HB2 . 51546 1
271 . 1 . 1 56 56 CYS HB3 H 1 3.067 0.006 . 2 . . . . . 56 CYS HB3 . 51546 1
272 . 1 . 1 57 57 GLU H H 1 8.489 0.002 . 1 . . . . . 57 GLU H . 51546 1
273 . 1 . 1 57 57 GLU HA H 1 4.213 0.004 . 1 . . . . . 57 GLU HA . 51546 1
274 . 1 . 1 57 57 GLU HB2 H 1 2.365 0.005 . 2 . . . . . 57 GLU HB2 . 51546 1
275 . 1 . 1 57 57 GLU HB3 H 1 2.184 0.006 . 2 . . . . . 57 GLU HB3 . 51546 1
276 . 1 . 1 57 57 GLU HG2 H 1 2.434 0.008 . 2 . . . . . 57 GLU HG2 . 51546 1
277 . 1 . 1 57 57 GLU HG3 H 1 2.541 0.004 . 2 . . . . . 57 GLU HG3 . 51546 1
278 . 1 . 1 58 58 CYS H H 1 7.328 0.001 . 1 . . . . . 58 CYS H . 51546 1
279 . 1 . 1 58 58 CYS HA H 1 4.075 0.003 . 1 . . . . . 58 CYS HA . 51546 1
280 . 1 . 1 58 58 CYS HB2 H 1 3.316 0.002 . 2 . . . . . 58 CYS HB2 . 51546 1
281 . 1 . 1 58 58 CYS HB3 H 1 2.777 0.002 . 2 . . . . . 58 CYS HB3 . 51546 1
282 . 1 . 1 59 59 ALA H H 1 7.261 0.003 . 1 . . . . . 59 ALA H . 51546 1
283 . 1 . 1 59 59 ALA HA H 1 3.662 0.004 . 1 . . . . . 59 ALA HA . 51546 1
284 . 1 . 1 59 59 ALA HB1 H 1 1.374 0.002 . . . . . . . 59 ALA HB# . 51546 1
285 . 1 . 1 59 59 ALA HB2 H 1 1.374 0.002 . . . . . . . 59 ALA HB# . 51546 1
286 . 1 . 1 59 59 ALA HB3 H 1 1.374 0.002 . . . . . . . 59 ALA HB# . 51546 1
287 . 1 . 1 60 60 GLN H H 1 8.002 0.002 . 1 . . . . . 60 GLN H . 51546 1
288 . 1 . 1 60 60 GLN HA H 1 4.284 0.000 . 1 . . . . . 60 GLN HA . 51546 1
289 . 1 . 1 60 60 GLN HB2 H 1 2.112 0.000 . 2 . . . . . 60 GLN HB2 . 51546 1
290 . 1 . 1 60 60 GLN HB3 H 1 1.929 0.003 . 2 . . . . . 60 GLN HB3 . 51546 1
291 . 1 . 1 60 60 GLN HG2 H 1 2.334 0.003 . 2 . . . . . 60 GLN QG . 51546 1
292 . 1 . 1 60 60 GLN HG3 H 1 2.334 0.003 . 2 . . . . . 60 GLN QG . 51546 1
293 . 1 . 1 61 61 ALA H H 1 8.008 0.000 . 1 . . . . . 61 ALA H . 51546 1
294 . 1 . 1 61 61 ALA HA H 1 4.280 0.002 . 1 . . . . . 61 ALA HA . 51546 1
295 . 1 . 1 61 61 ALA HB1 H 1 1.383 0.005 . . . . . . . 61 ALA HB# . 51546 1
296 . 1 . 1 61 61 ALA HB2 H 1 1.383 0.005 . . . . . . . 61 ALA HB# . 51546 1
297 . 1 . 1 61 61 ALA HB3 H 1 1.383 0.005 . . . . . . . 61 ALA HB# . 51546 1
298 . 1 . 1 62 62 ALA H H 1 8.212 0.000 . 1 . . . . . 62 ALA H . 51546 1
299 . 1 . 1 62 62 ALA HA H 1 4.284 0.004 . 1 . . . . . 62 ALA HA . 51546 1
300 . 1 . 1 62 62 ALA HB1 H 1 1.346 0.004 . . . . . . . 62 ALA HB# . 51546 1
301 . 1 . 1 62 62 ALA HB2 H 1 1.346 0.004 . . . . . . . 62 ALA HB# . 51546 1
302 . 1 . 1 62 62 ALA HB3 H 1 1.346 0.004 . . . . . . . 62 ALA HB# . 51546 1
303 . 1 . 1 63 63 HIS H H 1 7.849 0.000 . 1 . . . . . 63 HIS H . 51546 1
304 . 1 . 1 63 63 HIS HA H 1 4.424 0.005 . 1 . . . . . 63 HIS HA . 51546 1
305 . 1 . 1 63 63 HIS HB2 H 1 3.196 0.001 . 2 . . . . . 63 HIS HB2 . 51546 1
306 . 1 . 1 63 63 HIS HB3 H 1 3.059 0.009 . 2 . . . . . 63 HIS HB3 . 51546 1
307 . 1 . 1 63 63 HIS HD2 H 1 7.134 0.001 . 1 . . . . . 63 HIS HD2 . 51546 1
308 . 1 . 1 63 63 HIS HE1 H 1 8.282 0.000 . 1 . . . . . 63 HIS HE1 . 51546 1
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