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 51591
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name '(P3-7)2 backbone'
_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 '3D HNCO' . . . 51591 1
2 '3D HN(CA)CO' . . . 51591 1
3 '3D HN(CO)CA' . . . 51591 1
4 '3D HNCA' . . . 51591 1
5 '3D HN(CO)CACB' . . . 51591 1
6 '2D CACO' . . . 51591 1
7 '2D CON' . . . 51591 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
1 $software_1 . . 51591 1
2 $software_2 . . 51591 1
3 $software_3 . . 51591 1
4 $software_4 . . 51591 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 4 4 GLY H H 1 8.721 0.010 . 1 . . . . . 4 GLY H . 51591 1
2 . 1 . 1 4 4 GLY HA2 H 1 3.941 0.001 . 2 . . . . . 4 GLY HA2 . 51591 1
3 . 1 . 1 4 4 GLY HA3 H 1 4.008 0.001 . 2 . . . . . 4 GLY HA3 . 51591 1
4 . 1 . 1 4 4 GLY C C 13 174.125 0.000 . 1 . . . . . 4 GLY C . 51591 1
5 . 1 . 1 4 4 GLY CA C 13 45.093 0.000 . 1 . . . . . 4 GLY CA . 51591 1
6 . 1 . 1 4 4 GLY N N 15 109.891 0.000 . 1 . . . . . 4 GLY N . 51591 1
7 . 1 . 1 5 5 ALA H H 1 8.341 0.009 . 1 . . . . . 5 ALA H . 51591 1
8 . 1 . 1 5 5 ALA HA H 1 4.313 0.000 . 1 . . . . . 5 ALA HA . 51591 1
9 . 1 . 1 5 5 ALA HB1 H 1 1.429 0.000 . 1 . . . . . 5 ALA HB1 . 51591 1
10 . 1 . 1 5 5 ALA HB2 H 1 1.429 0.000 . 1 . . . . . 5 ALA HB2 . 51591 1
11 . 1 . 1 5 5 ALA HB3 H 1 1.429 0.000 . 1 . . . . . 5 ALA HB3 . 51591 1
12 . 1 . 1 5 5 ALA C C 13 178.465 0.000 . 1 . . . . . 5 ALA C . 51591 1
13 . 1 . 1 5 5 ALA CA C 13 53.057 0.000 . 1 . . . . . 5 ALA CA . 51591 1
14 . 1 . 1 5 5 ALA N N 15 124.176 0.052 . 1 . . . . . 5 ALA N . 51591 1
15 . 1 . 1 6 6 SER H H 1 8.602 0.008 . 1 . . . . . 6 SER H . 51591 1
16 . 1 . 1 6 6 SER HA H 1 4.404 0.003 . 1 . . . . . 6 SER HA . 51591 1
17 . 1 . 1 6 6 SER HB2 H 1 4.071 0.006 . 2 . . . . . 6 SER HB2 . 51591 1
18 . 1 . 1 6 6 SER HB3 H 1 3.957 0.002 . 2 . . . . . 6 SER HB3 . 51591 1
19 . 1 . 1 6 6 SER C C 13 175.332 0.000 . 1 . . . . . 6 SER C . 51591 1
20 . 1 . 1 6 6 SER CA C 13 58.694 0.000 . 1 . . . . . 6 SER CA . 51591 1
21 . 1 . 1 6 6 SER N N 15 116.071 0.000 . 1 . . . . . 6 SER N . 51591 1
22 . 1 . 1 7 7 LEU H H 1 8.483 0.002 . 1 . . . . . 7 LEU H . 51591 1
23 . 1 . 1 7 7 LEU HA H 1 4.250 0.001 . 1 . . . . . 7 LEU HA . 51591 1
24 . 1 . 1 7 7 LEU HB2 H 1 1.676 0.000 . 1 . . . . . 7 LEU HB2 . 51591 1
25 . 1 . 1 7 7 LEU HD11 H 1 0.913 0.000 . 2 . . . . . 7 LEU HD11 . 51591 1
26 . 1 . 1 7 7 LEU HD12 H 1 0.913 0.000 . 2 . . . . . 7 LEU HD12 . 51591 1
27 . 1 . 1 7 7 LEU HD13 H 1 0.913 0.000 . 2 . . . . . 7 LEU HD13 . 51591 1
28 . 1 . 1 7 7 LEU HD21 H 1 0.978 0.000 . 2 . . . . . 7 LEU HD21 . 51591 1
29 . 1 . 1 7 7 LEU HD22 H 1 0.978 0.000 . 2 . . . . . 7 LEU HD22 . 51591 1
30 . 1 . 1 7 7 LEU HD23 H 1 0.978 0.000 . 2 . . . . . 7 LEU HD23 . 51591 1
31 . 1 . 1 7 7 LEU C C 13 178.638 0.004 . 1 . . . . . 7 LEU C . 51591 1
32 . 1 . 1 7 7 LEU CA C 13 57.219 0.003 . 1 . . . . . 7 LEU CA . 51591 1
33 . 1 . 1 7 7 LEU N N 15 124.653 0.044 . 1 . . . . . 7 LEU N . 51591 1
34 . 1 . 1 8 8 ALA H H 1 8.365 0.001 . 1 . . . . . 8 ALA H . 51591 1
35 . 1 . 1 8 8 ALA HA H 1 4.190 0.000 . 1 . . . . . 8 ALA HA . 51591 1
36 . 1 . 1 8 8 ALA HB1 H 1 1.432 0.000 . 1 . . . . . 8 ALA HB1 . 51591 1
37 . 1 . 1 8 8 ALA HB2 H 1 1.432 0.000 . 1 . . . . . 8 ALA HB2 . 51591 1
38 . 1 . 1 8 8 ALA HB3 H 1 1.432 0.000 . 1 . . . . . 8 ALA HB3 . 51591 1
39 . 1 . 1 8 8 ALA C C 13 180.237 0.005 . 1 . . . . . 8 ALA C . 51591 1
40 . 1 . 1 8 8 ALA CA C 13 54.549 0.000 . 1 . . . . . 8 ALA CA . 51591 1
41 . 1 . 1 8 8 ALA N N 15 122.048 0.020 . 1 . . . . . 8 ALA N . 51591 1
42 . 1 . 1 9 9 ALA H H 1 8.156 0.002 . 1 . . . . . 9 ALA H . 51591 1
43 . 1 . 1 9 9 ALA HA H 1 4.218 0.000 . 1 . . . . . 9 ALA HA . 51591 1
44 . 1 . 1 9 9 ALA HB1 H 1 1.503 0.000 . 1 . . . . . 9 ALA HB1 . 51591 1
45 . 1 . 1 9 9 ALA HB2 H 1 1.503 0.000 . 1 . . . . . 9 ALA HB2 . 51591 1
46 . 1 . 1 9 9 ALA HB3 H 1 1.503 0.000 . 1 . . . . . 9 ALA HB3 . 51591 1
47 . 1 . 1 9 9 ALA C C 13 180.441 0.001 . 1 . . . . . 9 ALA C . 51591 1
48 . 1 . 1 9 9 ALA CA C 13 54.529 0.000 . 1 . . . . . 9 ALA CA . 51591 1
49 . 1 . 1 9 9 ALA N N 15 122.308 0.019 . 1 . . . . . 9 ALA N . 51591 1
50 . 1 . 1 10 10 LEU H H 1 8.137 0.001 . 1 . . . . . 10 LEU H . 51591 1
51 . 1 . 1 10 10 LEU HA H 1 4.207 0.002 . 1 . . . . . 10 LEU HA . 51591 1
52 . 1 . 1 10 10 LEU HB2 H 1 1.720 0.000 . 2 . . . . . 10 LEU HB2 . 51591 1
53 . 1 . 1 10 10 LEU HB3 H 1 1.827 0.000 . 2 . . . . . 10 LEU HB3 . 51591 1
54 . 1 . 1 10 10 LEU HD11 H 1 0.920 0.000 . 1 . . . . . 10 LEU HD11 . 51591 1
55 . 1 . 1 10 10 LEU HD12 H 1 0.920 0.000 . 1 . . . . . 10 LEU HD12 . 51591 1
56 . 1 . 1 10 10 LEU HD13 H 1 0.920 0.000 . 1 . . . . . 10 LEU HD13 . 51591 1
57 . 1 . 1 10 10 LEU C C 13 179.506 0.001 . 1 . . . . . 10 LEU C . 51591 1
58 . 1 . 1 10 10 LEU CA C 13 57.567 0.003 . 1 . . . . . 10 LEU CA . 51591 1
59 . 1 . 1 10 10 LEU N N 15 121.276 0.035 . 1 . . . . . 10 LEU N . 51591 1
60 . 1 . 1 11 11 GLN H H 1 8.500 0.002 . 1 . . . . . 11 GLN H . 51591 1
61 . 1 . 1 11 11 GLN HA H 1 4.120 0.001 . 1 . . . . . 11 GLN HA . 51591 1
62 . 1 . 1 11 11 GLN HB2 H 1 2.090 0.000 . 2 . . . . . 11 GLN HB2 . 51591 1
63 . 1 . 1 11 11 GLN HB3 H 1 2.187 0.000 . 2 . . . . . 11 GLN HB3 . 51591 1
64 . 1 . 1 11 11 GLN HG2 H 1 2.427 0.000 . 2 . . . . . 11 GLN HG2 . 51591 1
65 . 1 . 1 11 11 GLN HG3 H 1 2.557 0.000 . 2 . . . . . 11 GLN HG3 . 51591 1
66 . 1 . 1 11 11 GLN HE21 H 1 7.585 0.000 . 1 . . . . . 11 GLN HE21 . 51591 1
67 . 1 . 1 11 11 GLN C C 13 178.808 0.000 . 1 . . . . . 11 GLN C . 51591 1
68 . 1 . 1 11 11 GLN CA C 13 58.484 0.006 . 1 . . . . . 11 GLN CA . 51591 1
69 . 1 . 1 11 11 GLN N N 15 119.672 0.023 . 1 . . . . . 11 GLN N . 51591 1
70 . 1 . 1 11 11 GLN NE2 N 15 111.688 0.000 . 1 . . . . . 11 GLN NE2 . 51591 1
71 . 1 . 1 12 12 ALA H H 1 8.133 0.002 . 1 . . . . . 12 ALA H . 51591 1
72 . 1 . 1 12 12 ALA HA H 1 4.247 0.000 . 1 . . . . . 12 ALA HA . 51591 1
73 . 1 . 1 12 12 ALA HB1 H 1 1.509 0.000 . 1 . . . . . 12 ALA HB1 . 51591 1
74 . 1 . 1 12 12 ALA HB2 H 1 1.509 0.000 . 1 . . . . . 12 ALA HB2 . 51591 1
75 . 1 . 1 12 12 ALA HB3 H 1 1.509 0.000 . 1 . . . . . 12 ALA HB3 . 51591 1
76 . 1 . 1 12 12 ALA C C 13 180.189 0.001 . 1 . . . . . 12 ALA C . 51591 1
77 . 1 . 1 12 12 ALA CA C 13 54.636 0.002 . 1 . . . . . 12 ALA CA . 51591 1
78 . 1 . 1 12 12 ALA N N 15 123.184 0.028 . 1 . . . . . 12 ALA N . 51591 1
79 . 1 . 1 13 13 LEU H H 1 7.942 0.002 . 1 . . . . . 13 LEU H . 51591 1
80 . 1 . 1 13 13 LEU HA H 1 4.241 0.007 . 1 . . . . . 13 LEU HA . 51591 1
81 . 1 . 1 13 13 LEU HB2 H 1 1.695 0.000 . 2 . . . . . 13 LEU HB2 . 51591 1
82 . 1 . 1 13 13 LEU HB3 H 1 1.797 0.000 . 2 . . . . . 13 LEU HB3 . 51591 1
83 . 1 . 1 13 13 LEU HD11 H 1 0.938 0.000 . 1 . . . . . 13 LEU HD11 . 51591 1
84 . 1 . 1 13 13 LEU HD12 H 1 0.938 0.000 . 1 . . . . . 13 LEU HD12 . 51591 1
85 . 1 . 1 13 13 LEU HD13 H 1 0.938 0.000 . 1 . . . . . 13 LEU HD13 . 51591 1
86 . 1 . 1 13 13 LEU C C 13 179.305 0.002 . 1 . . . . . 13 LEU C . 51591 1
87 . 1 . 1 13 13 LEU CA C 13 57.583 0.001 . 1 . . . . . 13 LEU CA . 51591 1
88 . 1 . 1 13 13 LEU N N 15 120.992 0.034 . 1 . . . . . 13 LEU N . 51591 1
89 . 1 . 1 14 14 GLN H H 1 8.327 0.003 . 1 . . . . . 14 GLN H . 51591 1
90 . 1 . 1 14 14 GLN HA H 1 4.117 0.003 . 1 . . . . . 14 GLN HA . 51591 1
91 . 1 . 1 14 14 GLN HB2 H 1 2.116 0.000 . 2 . . . . . 14 GLN HB2 . 51591 1
92 . 1 . 1 14 14 GLN HB3 H 1 2.202 0.000 . 2 . . . . . 14 GLN HB3 . 51591 1
93 . 1 . 1 14 14 GLN HG2 H 1 2.434 0.000 . 2 . . . . . 14 GLN HG2 . 51591 1
94 . 1 . 1 14 14 GLN HG3 H 1 2.568 0.000 . 2 . . . . . 14 GLN HG3 . 51591 1
95 . 1 . 1 14 14 GLN HE21 H 1 7.594 0.000 . 1 . . . . . 14 GLN HE21 . 51591 1
96 . 1 . 1 14 14 GLN C C 13 178.655 0.002 . 1 . . . . . 14 GLN C . 51591 1
97 . 1 . 1 14 14 GLN CA C 13 58.406 0.003 . 1 . . . . . 14 GLN CA . 51591 1
98 . 1 . 1 14 14 GLN N N 15 119.483 0.026 . 1 . . . . . 14 GLN N . 51591 1
99 . 1 . 1 14 14 GLN NE2 N 15 111.616 0.000 . 1 . . . . . 14 GLN NE2 . 51591 1
100 . 1 . 1 15 15 ALA H H 1 8.120 0.002 . 1 . . . . . 15 ALA H . 51591 1
101 . 1 . 1 15 15 ALA HA H 1 4.253 0.000 . 1 . . . . . 15 ALA HA . 51591 1
102 . 1 . 1 15 15 ALA HB1 H 1 1.509 0.000 . 1 . . . . . 15 ALA HB1 . 51591 1
103 . 1 . 1 15 15 ALA HB2 H 1 1.509 0.000 . 1 . . . . . 15 ALA HB2 . 51591 1
104 . 1 . 1 15 15 ALA HB3 H 1 1.509 0.000 . 1 . . . . . 15 ALA HB3 . 51591 1
105 . 1 . 1 15 15 ALA C C 13 180.197 0.001 . 1 . . . . . 15 ALA C . 51591 1
106 . 1 . 1 15 15 ALA CA C 13 54.523 0.000 . 1 . . . . . 15 ALA CA . 51591 1
107 . 1 . 1 15 15 ALA N N 15 122.845 0.026 . 1 . . . . . 15 ALA N . 51591 1
108 . 1 . 1 16 16 LEU H H 1 7.937 0.003 . 1 . . . . . 16 LEU H . 51591 1
109 . 1 . 1 16 16 LEU HA H 1 4.240 0.001 . 1 . . . . . 16 LEU HA . 51591 1
110 . 1 . 1 16 16 LEU HB2 H 1 1.824 0.000 . 1 . . . . . 16 LEU HB2 . 51591 1
111 . 1 . 1 16 16 LEU HD11 H 1 0.948 0.000 . 1 . . . . . 16 LEU HD11 . 51591 1
112 . 1 . 1 16 16 LEU HD12 H 1 0.948 0.000 . 1 . . . . . 16 LEU HD12 . 51591 1
113 . 1 . 1 16 16 LEU HD13 H 1 0.948 0.000 . 1 . . . . . 16 LEU HD13 . 51591 1
114 . 1 . 1 16 16 LEU C C 13 179.257 0.001 . 1 . . . . . 16 LEU C . 51591 1
115 . 1 . 1 16 16 LEU CA C 13 57.411 0.010 . 1 . . . . . 16 LEU CA . 51591 1
116 . 1 . 1 16 16 LEU N N 15 121.307 0.033 . 1 . . . . . 16 LEU N . 51591 1
117 . 1 . 1 17 17 GLN H H 1 8.295 0.002 . 1 . . . . . 17 GLN H . 51591 1
118 . 1 . 1 17 17 GLN HA H 1 4.118 0.003 . 1 . . . . . 17 GLN HA . 51591 1
119 . 1 . 1 17 17 GLN HB2 H 1 2.107 0.000 . 2 . . . . . 17 GLN HB2 . 51591 1
120 . 1 . 1 17 17 GLN HB3 H 1 2.183 0.000 . 2 . . . . . 17 GLN HB3 . 51591 1
121 . 1 . 1 17 17 GLN HG2 H 1 2.418 0.000 . 2 . . . . . 17 GLN HG2 . 51591 1
122 . 1 . 1 17 17 GLN HG3 H 1 2.559 0.000 . 2 . . . . . 17 GLN HG3 . 51591 1
123 . 1 . 1 17 17 GLN HE21 H 1 7.606 0.000 . 1 . . . . . 17 GLN HE21 . 51591 1
124 . 1 . 1 17 17 GLN C C 13 178.462 0.001 . 1 . . . . . 17 GLN C . 51591 1
125 . 1 . 1 17 17 GLN CA C 13 58.008 0.006 . 1 . . . . . 17 GLN CA . 51591 1
126 . 1 . 1 17 17 GLN N N 15 119.253 0.026 . 1 . . . . . 17 GLN N . 51591 1
127 . 1 . 1 17 17 GLN NE2 N 15 111.769 0.000 . 1 . . . . . 17 GLN NE2 . 51591 1
128 . 1 . 1 18 18 ALA H H 1 8.223 0.001 . 1 . . . . . 18 ALA H . 51591 1
129 . 1 . 1 18 18 ALA HA H 1 4.226 0.001 . 1 . . . . . 18 ALA HA . 51591 1
130 . 1 . 1 18 18 ALA HB1 H 1 1.488 0.000 . 1 . . . . . 18 ALA HB1 . 51591 1
131 . 1 . 1 18 18 ALA HB2 H 1 1.488 0.000 . 1 . . . . . 18 ALA HB2 . 51591 1
132 . 1 . 1 18 18 ALA HB3 H 1 1.488 0.000 . 1 . . . . . 18 ALA HB3 . 51591 1
133 . 1 . 1 18 18 ALA C C 13 179.488 0.000 . 1 . . . . . 18 ALA C . 51591 1
134 . 1 . 1 18 18 ALA CA C 13 54.145 0.000 . 1 . . . . . 18 ALA CA . 51591 1
135 . 1 . 1 18 18 ALA N N 15 123.039 0.027 . 1 . . . . . 18 ALA N . 51591 1
136 . 1 . 1 19 19 ALA H H 1 7.993 0.003 . 1 . . . . . 19 ALA H . 51591 1
137 . 1 . 1 19 19 ALA HA H 1 4.244 0.002 . 1 . . . . . 19 ALA HA . 51591 1
138 . 1 . 1 19 19 ALA HB1 H 1 1.514 0.000 . 1 . . . . . 19 ALA HB1 . 51591 1
139 . 1 . 1 19 19 ALA HB2 H 1 1.514 0.000 . 1 . . . . . 19 ALA HB2 . 51591 1
140 . 1 . 1 19 19 ALA HB3 H 1 1.514 0.000 . 1 . . . . . 19 ALA HB3 . 51591 1
141 . 1 . 1 19 19 ALA C C 13 179.555 0.006 . 1 . . . . . 19 ALA C . 51591 1
142 . 1 . 1 19 19 ALA CA C 13 53.889 0.000 . 1 . . . . . 19 ALA CA . 51591 1
143 . 1 . 1 19 19 ALA N N 15 121.686 0.031 . 1 . . . . . 19 ALA N . 51591 1
144 . 1 . 1 20 20 GLN H H 1 8.117 0.002 . 1 . . . . . 20 GLN H . 51591 1
145 . 1 . 1 20 20 GLN HA H 1 4.173 0.007 . 1 . . . . . 20 GLN HA . 51591 1
146 . 1 . 1 20 20 GLN HB2 H 1 2.130 0.000 . 1 . . . . . 20 GLN HB2 . 51591 1
147 . 1 . 1 20 20 GLN HG2 H 1 2.447 0.000 . 2 . . . . . 20 GLN HG2 . 51591 1
148 . 1 . 1 20 20 GLN HG3 H 1 2.527 0.000 . 2 . . . . . 20 GLN HG3 . 51591 1
149 . 1 . 1 20 20 GLN HE21 H 1 7.597 0.000 . 1 . . . . . 20 GLN HE21 . 51591 1
150 . 1 . 1 20 20 GLN C C 13 177.155 0.001 . 1 . . . . . 20 GLN C . 51591 1
151 . 1 . 1 20 20 GLN CA C 13 56.964 0.001 . 1 . . . . . 20 GLN CA . 51591 1
152 . 1 . 1 20 20 GLN N N 15 118.027 0.026 . 1 . . . . . 20 GLN N . 51591 1
153 . 1 . 1 20 20 GLN NE2 N 15 112.428 0.000 . 1 . . . . . 20 GLN NE2 . 51591 1
154 . 1 . 1 21 21 ALA H H 1 8.021 0.004 . 1 . . . . . 21 ALA H . 51591 1
155 . 1 . 1 21 21 ALA HA H 1 4.248 0.000 . 1 . . . . . 21 ALA HA . 51591 1
156 . 1 . 1 21 21 ALA HB1 H 1 1.460 0.000 . 1 . . . . . 21 ALA HB1 . 51591 1
157 . 1 . 1 21 21 ALA HB2 H 1 1.460 0.000 . 1 . . . . . 21 ALA HB2 . 51591 1
158 . 1 . 1 21 21 ALA HB3 H 1 1.460 0.000 . 1 . . . . . 21 ALA HB3 . 51591 1
159 . 1 . 1 21 21 ALA C C 13 177.950 0.000 . 1 . . . . . 21 ALA C . 51591 1
160 . 1 . 1 21 21 ALA CA C 13 53.120 0.000 . 1 . . . . . 21 ALA CA . 51591 1
161 . 1 . 1 21 21 ALA N N 15 123.092 0.032 . 1 . . . . . 21 ALA N . 51591 1
162 . 1 . 1 22 22 ALA H H 1 7.904 0.005 . 1 . . . . . 22 ALA H . 51591 1
163 . 1 . 1 22 22 ALA HA H 1 4.253 0.003 . 1 . . . . . 22 ALA HA . 51591 1
164 . 1 . 1 22 22 ALA HB1 H 1 1.429 0.000 . 1 . . . . . 22 ALA HB1 . 51591 1
165 . 1 . 1 22 22 ALA HB2 H 1 1.429 0.000 . 1 . . . . . 22 ALA HB2 . 51591 1
166 . 1 . 1 22 22 ALA HB3 H 1 1.429 0.000 . 1 . . . . . 22 ALA HB3 . 51591 1
167 . 1 . 1 22 22 ALA C C 13 177.718 0.001 . 1 . . . . . 22 ALA C . 51591 1
168 . 1 . 1 22 22 ALA CA C 13 52.510 0.016 . 1 . . . . . 22 ALA CA . 51591 1
169 . 1 . 1 22 22 ALA N N 15 121.527 0.025 . 1 . . . . . 22 ALA N . 51591 1
170 . 1 . 1 23 23 LYS H H 1 7.996 0.002 . 1 . . . . . 23 LYS H . 51591 1
171 . 1 . 1 23 23 LYS HA H 1 4.196 0.001 . 1 . . . . . 23 LYS HA . 51591 1
172 . 1 . 1 23 23 LYS HB2 H 1 1.661 0.000 . 2 . . . . . 23 LYS HB2 . 51591 1
173 . 1 . 1 23 23 LYS HB3 H 1 1.744 0.000 . 2 . . . . . 23 LYS HB3 . 51591 1
174 . 1 . 1 23 23 LYS HG2 H 1 1.334 0.000 . 2 . . . . . 23 LYS HG2 . 51591 1
175 . 1 . 1 23 23 LYS HG3 H 1 1.416 0.000 . 2 . . . . . 23 LYS HG3 . 51591 1
176 . 1 . 1 23 23 LYS HE2 H 1 2.935 0.000 . 1 . . . . . 23 LYS HE2 . 51591 1
177 . 1 . 1 23 23 LYS C C 13 176.129 0.002 . 1 . . . . . 23 LYS C . 51591 1
178 . 1 . 1 23 23 LYS CA C 13 56.383 0.000 . 1 . . . . . 23 LYS CA . 51591 1
179 . 1 . 1 23 23 LYS N N 15 120.447 0.017 . 1 . . . . . 23 LYS N . 51591 1
180 . 1 . 1 24 24 LYS H H 1 8.291 0.001 . 1 . . . . . 24 LYS H . 51591 1
181 . 1 . 1 24 24 LYS HA H 1 4.293 0.002 . 1 . . . . . 24 LYS HA . 51591 1
182 . 1 . 1 24 24 LYS HB2 H 1 1.680 0.000 . 2 . . . . . 24 LYS HB2 . 51591 1
183 . 1 . 1 24 24 LYS HB3 H 1 1.788 0.000 . 2 . . . . . 24 LYS HB3 . 51591 1
184 . 1 . 1 24 24 LYS HG2 H 1 1.358 0.000 . 2 . . . . . 24 LYS HG2 . 51591 1
185 . 1 . 1 24 24 LYS HG3 H 1 1.431 0.000 . 2 . . . . . 24 LYS HG3 . 51591 1
186 . 1 . 1 24 24 LYS HE2 H 1 2.985 0.000 . 1 . . . . . 24 LYS HE2 . 51591 1
187 . 1 . 1 24 24 LYS C C 13 175.222 0.001 . 1 . . . . . 24 LYS C . 51591 1
188 . 1 . 1 24 24 LYS CA C 13 56.040 0.024 . 1 . . . . . 24 LYS CA . 51591 1
189 . 1 . 1 24 24 LYS N N 15 123.322 0.015 . 1 . . . . . 24 LYS N . 51591 1
190 . 1 . 1 25 25 TYR H H 1 7.843 0.001 . 1 . . . . . 25 TYR H . 51591 1
191 . 1 . 1 25 25 TYR HA H 1 4.380 0.000 . 1 . . . . . 25 TYR HA . 51591 1
192 . 1 . 1 25 25 TYR HB2 H 1 2.866 0.000 . 2 . . . . . 25 TYR HB2 . 51591 1
193 . 1 . 1 25 25 TYR HB3 H 1 3.098 0.000 . 2 . . . . . 25 TYR HB3 . 51591 1
194 . 1 . 1 25 25 TYR C C 13 180.480 0.000 . 1 . . . . . 25 TYR C . 51591 1
195 . 1 . 1 25 25 TYR CA C 13 59.137 0.000 . 1 . . . . . 25 TYR CA . 51591 1
196 . 1 . 1 25 25 TYR N N 15 126.225 0.000 . 1 . . . . . 25 TYR N . 51591 1
stop_
save_