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 52188
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'Recorded at 40C'
_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 '1D 1H' . . . 52188 1
2 '2D 1H-1H NOESY' . . . 52188 1
3 '2D 1H-1H TOCSY' . . . 52188 1
10 '2D 1H-13C HSQC' . . . 52188 1
11 '2D 13C H2BC' . . . 52188 1
12 '2D 13C HMBC' . . . 52188 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
4 $software_4 . . 52188 1
5 $software_5 . . 52188 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 1 1 6NA H6C1 H 1 0.818 0.006 . 1 . . . . . 1 6NA H6C1 . 52188 1
2 . 1 . 1 1 1 6NA HAC1 H 1 2.102 0.006 . 1 . . . . . 1 6NA HAC1 . 52188 1
3 . 1 . 1 1 1 6NA HAC2 H 1 2.102 0.006 . 1 . . . . . 1 6NA HAC2 . 52188 1
4 . 1 . 1 1 1 6NA HBC1 H 1 1.452 0.008 . 1 . . . . . 1 6NA HBC1 . 52188 1
5 . 1 . 1 1 1 6NA HBC2 H 1 1.452 0.008 . 1 . . . . . 1 6NA HBC2 . 52188 1
6 . 1 . 1 1 1 6NA HDC1 H 1 1.206 0.007 . 1 . . . . . 1 6NA HDC1 . 52188 1
7 . 1 . 1 1 1 6NA HDC2 H 1 1.206 0.007 . 1 . . . . . 1 6NA HDC2 . 52188 1
8 . 1 . 1 1 1 6NA HGC1 H 1 1.161 0.004 . 1 . . . . . 1 6NA HGC1 . 52188 1
9 . 1 . 1 1 1 6NA HGC2 H 1 1.161 0.004 . 1 . . . . . 1 6NA HGC2 . 52188 1
10 . 1 . 1 1 1 6NA C6 C 13 15.769 0.000 . 1 . . . . . 1 6NA C6 . 52188 1
11 . 1 . 1 1 1 6NA CA C 13 37.668 0.000 . 1 . . . . . 1 6NA CA . 52188 1
12 . 1 . 1 1 1 6NA CB C 13 27.084 0.000 . 1 . . . . . 1 6NA CB . 52188 1
13 . 1 . 1 1 1 6NA CG C 13 32.842 0.000 . 1 . . . . . 1 6NA CG . 52188 1
14 . 1 . 1 1 1 6NA CD C 13 23.983 0.000 . 1 . . . . . 1 6NA CD . 52188 1
15 . 1 . 1 2 2 ASN H H 1 7.972 0.003 . 1 . . . . . 2 ASN H . 52188 1
16 . 1 . 1 2 2 ASN HA H 1 4.540 0.004 . 1 . . . . . 2 ASN HA . 52188 1
17 . 1 . 1 2 2 ASN HB2 H 1 2.476 0.005 . 2 . . . . . 2 ASN HB2 . 52188 1
18 . 1 . 1 2 2 ASN HB3 H 1 2.341 0.000 . 2 . . . . . 2 ASN HB3 . 52188 1
19 . 1 . 1 2 2 ASN HD21 H 1 7.174 0.000 . 2 . . . . . 2 ASN HD21 . 52188 1
20 . 1 . 1 2 2 ASN HD22 H 1 6.533 0.007 . 2 . . . . . 2 ASN HD22 . 52188 1
21 . 1 . 1 2 2 ASN CB C 13 38.868 0.000 . 1 . . . . . 2 ASN CB . 52188 1
22 . 1 . 1 3 3 DPP H H 1 8.160 0.004 . 1 . . . . . 3 DPP H . 52188 1
23 . 1 . 1 3 3 DPP HA H 1 4.693 0.005 . 1 . . . . . 3 DPP HA . 52188 1
24 . 1 . 1 3 3 DPP HB2 H 1 3.895 0.008 . 2 . . . . . 3 DPP HB2 . 52188 1
25 . 1 . 1 3 3 DPP HB3 H 1 3.304 0.003 . 2 . . . . . 3 DPP HB3 . 52188 1
26 . 1 . 1 3 3 DPP HG1 H 1 7.567 0.006 . 1 . . . . . 3 DPP HG1 . 52188 1
27 . 1 . 1 3 3 DPP CB C 13 43.075 0.000 . 1 . . . . . 3 DPP CB . 52188 1
28 . 1 . 1 4 4 DGH H H 1 8.916 0.005 . 1 . . . . . 4 DGH H . 52188 1
29 . 1 . 1 4 4 DGH HA H 1 7.380 0.004 . 1 . . . . . 4 DGH HA . 52188 1
30 . 1 . 1 4 4 DGH HB H 1 5.712 0.003 . 1 . . . . . 4 DGH HB . 52188 1
31 . 1 . 1 4 4 DGH HD H 1 6.896 0.005 . 1 . . . . . 4 DGH HD . 52188 1
32 . 1 . 1 4 4 DGH HC H 1 7.380 0.004 . 1 . . . . . 4 DGH HC . 52188 1
33 . 1 . 1 4 4 DGH HF H 1 6.896 0.005 . 1 . . . . . 4 DGH HF . 52188 1
34 . 1 . 1 4 4 DGH C1 C 13 157.962 0.000 . 1 . . . . . 4 DGH C1 . 52188 1
35 . 1 . 1 4 4 DGH C2 C 13 131.149 0.000 . 1 . . . . . 4 DGH C2 . 52188 1
36 . 1 . 1 4 4 DGH C3 C 13 118.340 0.000 . 1 . . . . . 4 DGH C3 . 52188 1
37 . 1 . 1 4 4 DGH C5 C 13 118.340 0.000 . 1 . . . . . 4 DGH C5 . 52188 1
38 . 1 . 1 4 4 DGH C6 C 13 131.149 0.000 . 1 . . . . . 4 DGH C6 . 52188 1
39 . 1 . 1 4 4 DGH CA C 13 58.429 0.000 . 1 . . . . . 4 DGH CA . 52188 1
40 . 1 . 1 5 5 ORD H H 1 8.716 0.003 . 1 . . . . . 5 ORD H . 52188 1
41 . 1 . 1 5 5 ORD HA H 1 4.262 0.005 . 1 . . . . . 5 ORD HA . 52188 1
42 . 1 . 1 5 5 ORD HB2 H 1 1.380 0.000 . 2 . . . . . 5 ORD HB2 . 52188 1
43 . 1 . 1 5 5 ORD HB3 H 1 0.819 0.005 . 2 . . . . . 5 ORD HB3 . 52188 1
44 . 1 . 1 5 5 ORD HG2 H 1 1.392 0.000 . 1 . . . . . 5 ORD HG2 . 52188 1
45 . 1 . 1 5 5 ORD HG3 H 1 1.392 0.000 . 1 . . . . . 5 ORD HG3 . 52188 1
46 . 1 . 1 5 5 ORD HD2 H 1 2.580 0.005 . 1 . . . . . 5 ORD HD2 . 52188 1
47 . 1 . 1 5 5 ORD HD3 H 1 2.580 0.005 . 1 . . . . . 5 ORD HD3 . 52188 1
48 . 1 . 1 5 5 ORD CA C 13 56.143 0.000 . 1 . . . . . 5 ORD CA . 52188 1
49 . 1 . 1 5 5 ORD CB C 13 30.063 0.000 . 1 . . . . . 5 ORD CB . 52188 1
50 . 1 . 1 5 5 ORD CG C 13 25.614 0.000 . 1 . . . . . 5 ORD CG . 52188 1
51 . 1 . 1 5 5 ORD CD C 13 41.052 0.000 . 1 . . . . . 5 ORD CD . 52188 1
52 . 1 . 1 6 6 DTH H H 1 7.608 0.000 . 1 . . . . . 6 DTH H . 52188 1
53 . 1 . 1 6 6 DTH HA H 1 4.531 0.004 . 1 . . . . . 6 DTH HA . 52188 1
54 . 1 . 1 6 6 DTH HB H 1 4.033 0.004 . 1 . . . . . 6 DTH HB . 52188 1
55 . 1 . 1 6 6 DTH HG21 H 1 0.987 0.005 . 1 . . . . . 6 DTH HG21 . 52188 1
56 . 1 . 1 6 6 DTH HG22 H 1 0.987 0.005 . 1 . . . . . 6 DTH HG21 . 52188 1
57 . 1 . 1 6 6 DTH HG23 H 1 0.987 0.005 . 1 . . . . . 6 DTH HG21 . 52188 1
58 . 1 . 1 6 6 DTH CA C 13 60.085 0.000 . 1 . . . . . 6 DTH CA . 52188 1
59 . 1 . 1 6 6 DTH CB C 13 71.277 0.000 . 1 . . . . . 6 DTH CB . 52188 1
60 . 1 . 1 6 6 DTH CG2 C 13 21.552 0.000 . 1 . . . . . 6 DTH CG2 . 52188 1
61 . 1 . 1 7 7 D4P H H 1 8.777 0.003 . 1 . . . . . 7 D4P H . 52188 1
62 . 1 . 1 7 7 D4P H2 H 1 6.902 0.003 . 1 . . . . . 7 D4P H2 . 52188 1
63 . 1 . 1 7 7 D4P H3 H 1 6.548 0.001 . 1 . . . . . 7 D4P H3 . 52188 1
64 . 1 . 1 7 7 D4P H5 H 1 6.548 0.001 . 1 . . . . . 7 D4P H5 . 52188 1
65 . 1 . 1 7 7 D4P H6 H 1 6.902 0.003 . 1 . . . . . 7 D4P H6 . 52188 1
66 . 1 . 1 7 7 D4P HA H 1 6.439 0.004 . 1 . . . . . 7 D4P HA . 52188 1
67 . 1 . 1 7 7 D4P C1 C 13 158.034 0.000 . 1 . . . . . 7 D4P C1 . 52188 1
68 . 1 . 1 7 7 D4P C2 C 13 130.495 0.000 . 1 . . . . . 7 D4P C2 . 52188 1
69 . 1 . 1 7 7 D4P C3 C 13 117.540 0.000 . 1 . . . . . 7 D4P C3 . 52188 1
70 . 1 . 1 7 7 D4P C5 C 13 117.540 0.000 . 1 . . . . . 7 D4P C5 . 52188 1
71 . 1 . 1 7 7 D4P C6 C 13 130.495 0.000 . 1 . . . . . 7 D4P C6 . 52188 1
72 . 1 . 1 7 7 D4P CA C 13 57.085 0.000 . 1 . . . . . 7 D4P CA . 52188 1
73 . 1 . 1 8 8 DGH H H 1 8.750 0.006 . 1 . . . . . 8 DGH H . 52188 1
74 . 1 . 1 8 8 DGH HA H 1 6.826 0.004 . 1 . . . . . 8 DGH HA . 52188 1
75 . 1 . 1 8 8 DGH HB H 1 5.431 0.004 . 1 . . . . . 8 DGH HB . 52188 1
76 . 1 . 1 8 8 DGH HD H 1 6.580 0.009 . 1 . . . . . 8 DGH HD . 52188 1
77 . 1 . 1 8 8 DGH HC H 1 6.826 0.004 . 1 . . . . . 8 DGH HC . 52188 1
78 . 1 . 1 8 8 DGH HF H 1 6.580 0.009 . 1 . . . . . 8 DGH HF . 52188 1
79 . 1 . 1 8 8 DGH C1 C 13 158.247 0.000 . 1 . . . . . 8 DGH C1 . 52188 1
80 . 1 . 1 8 8 DGH C2 C 13 129.946 0.000 . 1 . . . . . 8 DGH C2 . 52188 1
81 . 1 . 1 8 8 DGH C3 C 13 117.817 0.000 . 1 . . . . . 8 DGH C3 . 52188 1
82 . 1 . 1 8 8 DGH C5 C 13 117.817 0.000 . 1 . . . . . 8 DGH C5 . 52188 1
83 . 1 . 1 8 8 DGH C6 C 13 129.946 0.000 . 1 . . . . . 8 DGH C6 . 52188 1
84 . 1 . 1 8 8 DGH CA C 13 58.926 0.000 . 1 . . . . . 8 DGH CA . 52188 1
85 . 1 . 1 9 9 THR H H 1 8.407 0.003 . 1 . . . . . 9 THR H . 52188 1
86 . 1 . 1 9 9 THR HA H 1 3.643 0.004 . 1 . . . . . 9 THR HA . 52188 1
87 . 1 . 1 9 9 THR HB H 1 3.827 0.002 . 1 . . . . . 9 THR HB . 52188 1
88 . 1 . 1 9 9 THR HG21 H 1 0.919 0.005 . 1 . . . . . 9 THR HG21 . 52188 1
89 . 1 . 1 9 9 THR HG22 H 1 0.919 0.005 . 1 . . . . . 9 THR HG21 . 52188 1
90 . 1 . 1 9 9 THR HG23 H 1 0.919 0.005 . 1 . . . . . 9 THR HG21 . 52188 1
91 . 1 . 1 9 9 THR CA C 13 64.340 0.000 . 1 . . . . . 9 THR CA . 52188 1
92 . 1 . 1 9 9 THR CB C 13 68.437 0.000 . 1 . . . . . 9 THR CB . 52188 1
93 . 1 . 1 9 9 THR CG2 C 13 21.436 0.000 . 1 . . . . . 9 THR CG2 . 52188 1
94 . 1 . 1 10 10 PHE H H 1 7.617 0.004 . 1 . . . . . 10 PHE H . 52188 1
95 . 1 . 1 10 10 PHE HA H 1 4.419 0.002 . 1 . . . . . 10 PHE HA . 52188 1
96 . 1 . 1 10 10 PHE HB2 H 1 2.837 0.006 . 2 . . . . . 10 PHE HB2 . 52188 1
97 . 1 . 1 10 10 PHE HB3 H 1 2.472 0.004 . 2 . . . . . 10 PHE HB3 . 52188 1
98 . 1 . 1 10 10 PHE HD1 H 1 7.063 0.003 . 1 . . . . . 10 PHE HD1 . 52188 1
99 . 1 . 1 10 10 PHE HD2 H 1 7.063 0.003 . 1 . . . . . 10 PHE HD2 . 52188 1
100 . 1 . 1 10 10 PHE HE1 H 1 7.258 0.005 . 1 . . . . . 10 PHE HE1 . 52188 1
101 . 1 . 1 10 10 PHE HE2 H 1 7.258 0.005 . 1 . . . . . 10 PHE HE2 . 52188 1
102 . 1 . 1 10 10 PHE HZ H 1 7.210 0.000 . 1 . . . . . 10 PHE HZ . 52188 1
103 . 1 . 1 10 10 PHE CB C 13 38.239 0.000 . 1 . . . . . 10 PHE CB . 52188 1
104 . 1 . 1 10 10 PHE CG C 13 138.795 0.000 . 1 . . . . . 10 PHE CG . 52188 1
105 . 1 . 1 10 10 PHE CD1 C 13 131.112 0.000 . 1 . . . . . 10 PHE CD1 . 52188 1
106 . 1 . 1 10 10 PHE CD2 C 13 131.112 0.000 . 1 . . . . . 10 PHE CD2 . 52188 1
107 . 1 . 1 10 10 PHE CE1 C 13 131.044 0.000 . 1 . . . . . 10 PHE CE1 . 52188 1
108 . 1 . 1 10 10 PHE CE2 C 13 131.044 0.000 . 1 . . . . . 10 PHE CE2 . 52188 1
109 . 1 . 1 10 10 PHE CZ C 13 129.504 0.000 . 1 . . . . . 10 PHE CZ . 52188 1
110 . 1 . 1 11 11 ORD H H 1 7.659 0.000 . 1 . . . . . 11 ORD H . 52188 1
111 . 1 . 1 11 11 ORD HA H 1 4.715 0.005 . 1 . . . . . 11 ORD HA . 52188 1
112 . 1 . 1 11 11 ORD HB2 H 1 1.926 0.000 . 2 . . . . . 11 ORD HB2 . 52188 1
113 . 1 . 1 11 11 ORD HB3 H 1 1.849 0.005 . 2 . . . . . 11 ORD HB3 . 52188 1
114 . 1 . 1 11 11 ORD HG2 H 1 1.590 0.006 . 1 . . . . . 11 ORD HG2 . 52188 1
115 . 1 . 1 11 11 ORD HG3 H 1 1.590 0.006 . 1 . . . . . 11 ORD HG3 . 52188 1
116 . 1 . 1 11 11 ORD HD2 H 1 2.954 0.004 . 1 . . . . . 11 ORD HD2 . 52188 1
117 . 1 . 1 11 11 ORD HD3 H 1 2.954 0.004 . 1 . . . . . 11 ORD HD3 . 52188 1
118 . 1 . 1 11 11 ORD CB C 13 31.794 0.000 . 1 . . . . . 11 ORD CB . 52188 1
119 . 1 . 1 11 11 ORD CG C 13 25.558 0.000 . 1 . . . . . 11 ORD CG . 52188 1
120 . 1 . 1 11 11 ORD CD C 13 41.394 0.000 . 1 . . . . . 11 ORD CD . 52188 1
121 . 1 . 1 12 12 D4P H H 1 8.916 0.006 . 1 . . . . . 12 D4P H . 52188 1
122 . 1 . 1 12 12 D4P H2 H 1 7.221 0.003 . 1 . . . . . 12 D4P H2 . 52188 1
123 . 1 . 1 12 12 D4P H3 H 1 6.675 0.005 . 1 . . . . . 12 D4P H3 . 52188 1
124 . 1 . 1 12 12 D4P H5 H 1 6.675 0.005 . 1 . . . . . 12 D4P H5 . 52188 1
125 . 1 . 1 12 12 D4P H6 H 1 7.221 0.003 . 1 . . . . . 12 D4P H6 . 52188 1
126 . 1 . 1 12 12 D4P HA H 1 6.585 0.005 . 1 . . . . . 12 D4P HA . 52188 1
127 . 1 . 1 12 12 D4P C1 C 13 158.034 0.000 . 1 . . . . . 12 D4P C1 . 52188 1
128 . 1 . 1 12 12 D4P C2 C 13 129.763 0.000 . 1 . . . . . 12 D4P C2 . 52188 1
129 . 1 . 1 12 12 D4P C3 C 13 117.863 0.000 . 1 . . . . . 12 D4P C3 . 52188 1
130 . 1 . 1 12 12 D4P C5 C 13 117.863 0.000 . 1 . . . . . 12 D4P C5 . 52188 1
131 . 1 . 1 12 12 D4P C6 C 13 129.763 0.000 . 1 . . . . . 12 D4P C6 . 52188 1
132 . 1 . 1 12 12 D4P CA C 13 57.853 0.000 . 1 . . . . . 12 D4P CA . 52188 1
133 . 1 . 1 13 13 DTH H H 1 8.879 0.003 . 1 . . . . . 13 DTH H . 52188 1
134 . 1 . 1 13 13 DTH HA H 1 4.811 0.002 . 1 . . . . . 13 DTH HA . 52188 1
135 . 1 . 1 13 13 DTH HB H 1 4.180 0.004 . 1 . . . . . 13 DTH HB . 52188 1
136 . 1 . 1 13 13 DTH HG21 H 1 0.895 0.005 . 1 . . . . . 13 DTH HG21 . 52188 1
137 . 1 . 1 13 13 DTH HG22 H 1 0.895 0.005 . 1 . . . . . 13 DTH HG21 . 52188 1
138 . 1 . 1 13 13 DTH HG23 H 1 0.895 0.005 . 1 . . . . . 13 DTH HG21 . 52188 1
139 . 1 . 1 13 13 DTH CA C 13 59.56 0.000 . 1 . . . . . 13 DTH CA . 52188 1
140 . 1 . 1 13 13 DTH CB C 13 71.004 0.000 . 1 . . . . . 13 DTH CB . 52188 1
141 . 1 . 1 13 13 DTH CG2 C 13 21.203 0.000 . 1 . . . . . 13 DTH CG2 . 52188 1
142 . 1 . 1 14 14 D4P H H 1 8.818 0.006 . 1 . . . . . 14 D4P H . 52188 1
143 . 1 . 1 14 14 D4P H2 H 1 7.192 0.005 . 1 . . . . . 14 D4P H2 . 52188 1
144 . 1 . 1 14 14 D4P H3 H 1 6.790 0.003 . 1 . . . . . 14 D4P H3 . 52188 1
145 . 1 . 1 14 14 D4P H5 H 1 6.790 0.003 . 1 . . . . . 14 D4P H5 . 52188 1
146 . 1 . 1 14 14 D4P H6 H 1 7.192 0.005 . 1 . . . . . 14 D4P H6 . 52188 1
147 . 1 . 1 14 14 D4P HA H 1 5.901 0.004 . 1 . . . . . 14 D4P HA . 52188 1
148 . 1 . 1 14 14 D4P C1 C 13 158.319 0.000 . 1 . . . . . 14 D4P C1 . 52188 1
149 . 1 . 1 14 14 D4P C2 C 13 130.472 0.000 . 1 . . . . . 14 D4P C2 . 52188 1
150 . 1 . 1 14 14 D4P C3 C 13 118.140 0.000 . 1 . . . . . 14 D4P C3 . 52188 1
151 . 1 . 1 14 14 D4P C5 C 13 118.140 0.000 . 1 . . . . . 14 D4P C5 . 52188 1
152 . 1 . 1 14 14 D4P C6 C 13 130.472 0.000 . 1 . . . . . 14 D4P C6 . 52188 1
153 . 1 . 1 14 14 D4P CA C 13 57.541 0.000 . 1 . . . . . 14 D4P CA . 52188 1
154 . 1 . 1 15 15 GLY H H 1 8.155 0.000 . 1 . . . . . 15 GLY H . 52188 1
155 . 1 . 1 15 15 GLY HA2 H 1 3.930 0.000 . 2 . . . . . 15 GLY HA2 . 52188 1
156 . 1 . 1 15 15 GLY HA3 H 1 3.705 0.000 . 2 . . . . . 15 GLY HA3 . 52188 1
157 . 1 . 1 15 15 GLY CA C 13 44.841 0.000 . 1 . . . . . 15 GLY CA . 52188 1
158 . 1 . 1 16 16 LEU H H 1 8.279 0.000 . 1 . . . . . 16 LEU H . 52188 1
159 . 1 . 1 16 16 LEU HA H 1 4.276 0.006 . 1 . . . . . 16 LEU HA . 52188 1
160 . 1 . 1 16 16 LEU HB2 H 1 1.549 0.003 . 1 . . . . . 16 LEU HB2 . 52188 1
161 . 1 . 1 16 16 LEU HB3 H 1 1.549 0.003 . 1 . . . . . 16 LEU HB3 . 52188 1
162 . 1 . 1 16 16 LEU HD11 H 1 0.881 0.006 . 2 . . . . . 16 LEU HD11 . 52188 1
163 . 1 . 1 16 16 LEU HD12 H 1 0.881 0.006 . 2 . . . . . 16 LEU HD11 . 52188 1
164 . 1 . 1 16 16 LEU HD13 H 1 0.881 0.006 . 2 . . . . . 16 LEU HD11 . 52188 1
165 . 1 . 1 16 16 LEU HD21 H 1 0.824 0.006 . 2 . . . . . 16 LEU HD21 . 52188 1
166 . 1 . 1 16 16 LEU HD22 H 1 0.824 0.006 . 2 . . . . . 16 LEU HD21 . 52188 1
167 . 1 . 1 16 16 LEU HD23 H 1 0.824 0.006 . 2 . . . . . 16 LEU HD21 . 52188 1
168 . 1 . 1 16 16 LEU CA C 13 55.030 0.000 . 1 . . . . . 16 LEU CA . 52188 1
169 . 1 . 1 16 16 LEU CB C 13 41.637 0.000 . 1 . . . . . 16 LEU CB . 52188 1
170 . 1 . 1 16 16 LEU CG C 13 26.654 0.000 . 1 . . . . . 16 LEU CG . 52188 1
171 . 1 . 1 16 16 LEU CD1 C 13 24.620 0.000 . 1 . . . . . 16 LEU CD1 . 52188 1
172 . 1 . 1 16 16 LEU CD2 C 13 23.549 0.000 . 1 . . . . . 16 LEU CD2 . 52188 1
173 . 1 . 1 17 17 DAL H H 1 8.715 0.005 . 1 . . . . . 17 DAL H . 52188 1
174 . 1 . 1 17 17 DAL HA H 1 4.337 0.005 . 1 . . . . . 17 DAL HA . 52188 1
175 . 1 . 1 17 17 DAL HB1 H 1 1.310 0.004 . 1 . . . . . 17 DAL HB1 . 52188 1
176 . 1 . 1 17 17 DAL HB2 H 1 1.310 0.004 . 1 . . . . . 17 DAL HB1 . 52188 1
177 . 1 . 1 17 17 DAL HB3 H 1 1.310 0.004 . 1 . . . . . 17 DAL HB1 . 52188 1
178 . 1 . 1 17 17 DAL CA C 13 51.611 0.000 . 1 . . . . . 17 DAL CA . 52188 1
179 . 1 . 1 17 17 DAL CB C 13 18.177 0.000 . 1 . . . . . 17 DAL CB . 52188 1
180 . 1 . 1 18 18 D4P H H 1 7.879 0.005 . 1 . . . . . 18 D4P H . 52188 1
181 . 1 . 1 18 18 D4P H2 H 1 6.870 0.006 . 1 . . . . . 18 D4P H2 . 52188 1
182 . 1 . 1 18 18 D4P H3 H 1 6.671 0.006 . 1 . . . . . 18 D4P H3 . 52188 1
183 . 1 . 1 18 18 D4P H5 H 1 6.671 0.006 . 1 . . . . . 18 D4P H5 . 52188 1
184 . 1 . 1 18 18 D4P H6 H 1 6.870 0.006 . 1 . . . . . 18 D4P H6 . 52188 1
185 . 1 . 1 18 18 D4P HA H 1 5.008 0.004 . 1 . . . . . 18 D4P HA . 52188 1
186 . 1 . 1 18 18 D4P C1 C 13 158.319 0.000 . 1 . . . . . 18 D4P C1 . 52188 1
187 . 1 . 1 18 18 D4P C2 C 13 130.495 0.000 . 1 . . . . . 18 D4P C2 . 52188 1
188 . 1 . 1 18 18 D4P C3 C 13 117.540 0.000 . 1 . . . . . 18 D4P C3 . 52188 1
189 . 1 . 1 18 18 D4P C5 C 13 117.540 0.000 . 1 . . . . . 18 D4P C5 . 52188 1
190 . 1 . 1 18 18 D4P C6 C 13 130.495 0.000 . 1 . . . . . 18 D4P C6 . 52188 1
191 . 1 . 1 18 18 D4P CA C 13 58.965 0.000 . 1 . . . . . 18 D4P CA . 52188 1
stop_
save_