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 17664
_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' . . . 17664 1
2 '2D 1H-13C HSQC' . . . 17664 1
3 '3D HBHA(CO)NH' . . . 17664 1
4 '3D 1H-15N NOESY' . . . 17664 1
5 '3D 1H-15N TOCSY' . . . 17664 1
6 '3D HNCO' . . . 17664 1
7 '3D 1H-13C NOESY' . . . 17664 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 4.018 0.020 . 2 . . . . 98 GLY HA2 . 17664 1
2 . 1 1 1 1 GLY CA C 13 43.321 0.100 . 1 . . . . 98 GLY CA . 17664 1
3 . 1 1 2 2 PRO HA H 1 4.503 0.020 . 1 . . . . 99 PRO HA . 17664 1
4 . 1 1 2 2 PRO HB2 H 1 1.985 0.020 . 2 . . . . 99 PRO HB2 . 17664 1
5 . 1 1 2 2 PRO HB3 H 1 2.346 0.020 . 2 . . . . 99 PRO HB3 . 17664 1
6 . 1 1 2 2 PRO HG2 H 1 2.047 0.020 . 2 . . . . 99 PRO HG2 . 17664 1
7 . 1 1 2 2 PRO HD2 H 1 3.603 0.020 . 2 . . . . 99 PRO HD2 . 17664 1
8 . 1 1 2 2 PRO C C 13 177.018 0.100 . 1 . . . . 99 PRO C . 17664 1
9 . 1 1 2 2 PRO CA C 13 63.189 0.100 . 1 . . . . 99 PRO CA . 17664 1
10 . 1 1 2 2 PRO CB C 13 32.291 0.100 . 1 . . . . 99 PRO CB . 17664 1
11 . 1 1 2 2 PRO CG C 13 27.040 0.100 . 1 . . . . 99 PRO CG . 17664 1
12 . 1 1 2 2 PRO CD C 13 49.631 0.100 . 1 . . . . 99 PRO CD . 17664 1
13 . 1 1 3 3 LEU H H 1 8.544 0.020 . 1 . . . . 100 LEU H . 17664 1
14 . 1 1 3 3 LEU HA H 1 4.392 0.020 . 1 . . . . 100 LEU HA . 17664 1
15 . 1 1 3 3 LEU HB2 H 1 1.658 0.020 . 2 . . . . 100 LEU HB2 . 17664 1
16 . 1 1 3 3 LEU HB3 H 1 1.705 0.020 . 2 . . . . 100 LEU HB3 . 17664 1
17 . 1 1 3 3 LEU HG H 1 1.606 0.020 . 1 . . . . 100 LEU HG . 17664 1
18 . 1 1 3 3 LEU HD11 H 1 0.930 0.020 . 2 . . . . 100 LEU HD1 . 17664 1
19 . 1 1 3 3 LEU HD12 H 1 0.930 0.020 . 2 . . . . 100 LEU HD1 . 17664 1
20 . 1 1 3 3 LEU HD13 H 1 0.930 0.020 . 2 . . . . 100 LEU HD1 . 17664 1
21 . 1 1 3 3 LEU HD21 H 1 0.971 0.020 . 2 . . . . 100 LEU HD2 . 17664 1
22 . 1 1 3 3 LEU HD22 H 1 0.971 0.020 . 2 . . . . 100 LEU HD2 . 17664 1
23 . 1 1 3 3 LEU HD23 H 1 0.971 0.020 . 2 . . . . 100 LEU HD2 . 17664 1
24 . 1 1 3 3 LEU C C 13 178.012 0.100 . 1 . . . . 100 LEU C . 17664 1
25 . 1 1 3 3 LEU CA C 13 55.392 0.100 . 1 . . . . 100 LEU CA . 17664 1
26 . 1 1 3 3 LEU CB C 13 42.326 0.100 . 1 . . . . 100 LEU CB . 17664 1
27 . 1 1 3 3 LEU CG C 13 27.272 0.100 . 1 . . . . 100 LEU CG . 17664 1
28 . 1 1 3 3 LEU CD1 C 13 23.509 0.100 . 1 . . . . 100 LEU CD1 . 17664 1
29 . 1 1 3 3 LEU CD2 C 13 24.864 0.100 . 1 . . . . 100 LEU CD2 . 17664 1
30 . 1 1 3 3 LEU N N 15 122.359 0.100 . 1 . . . . 100 LEU N . 17664 1
31 . 1 1 4 4 GLY H H 1 8.433 0.020 . 1 . . . . 101 GLY H . 17664 1
32 . 1 1 4 4 GLY HA2 H 1 4.025 0.020 . 2 . . . . 101 GLY HA2 . 17664 1
33 . 1 1 4 4 GLY C C 13 174.326 0.100 . 1 . . . . 101 GLY C . 17664 1
34 . 1 1 4 4 GLY CA C 13 45.453 0.100 . 1 . . . . 101 GLY CA . 17664 1
35 . 1 1 4 4 GLY N N 15 109.846 0.100 . 1 . . . . 101 GLY N . 17664 1
36 . 1 1 5 5 SER H H 1 8.263 0.020 . 1 . . . . 102 SER H . 17664 1
37 . 1 1 5 5 SER HA H 1 4.523 0.020 . 1 . . . . 102 SER HA . 17664 1
38 . 1 1 5 5 SER HB2 H 1 3.910 0.020 . 2 . . . . 102 SER HB2 . 17664 1
39 . 1 1 5 5 SER C C 13 174.800 0.100 . 1 . . . . 102 SER C . 17664 1
40 . 1 1 5 5 SER CA C 13 58.396 0.100 . 1 . . . . 102 SER CA . 17664 1
41 . 1 1 5 5 SER CB C 13 63.982 0.100 . 1 . . . . 102 SER CB . 17664 1
42 . 1 1 5 5 SER N N 15 115.540 0.100 . 1 . . . . 102 SER N . 17664 1
43 . 1 1 6 6 SER H H 1 8.459 0.020 . 1 . . . . 103 SER H . 17664 1
44 . 1 1 6 6 SER HA H 1 4.538 0.020 . 1 . . . . 103 SER HA . 17664 1
45 . 1 1 6 6 SER HB2 H 1 3.943 0.020 . 2 . . . . 103 SER HB2 . 17664 1
46 . 1 1 6 6 SER C C 13 174.418 0.100 . 1 . . . . 103 SER C . 17664 1
47 . 1 1 6 6 SER CA C 13 58.568 0.100 . 1 . . . . 103 SER CA . 17664 1
48 . 1 1 6 6 SER CB C 13 63.935 0.100 . 1 . . . . 103 SER CB . 17664 1
49 . 1 1 6 6 SER N N 15 117.617 0.100 . 1 . . . . 103 SER N . 17664 1
50 . 1 1 7 7 CYS H H 1 8.362 0.020 . 1 . . . . 104 CYS H . 17664 1
51 . 1 1 7 7 CYS HA H 1 4.546 0.020 . 1 . . . . 104 CYS HA . 17664 1
52 . 1 1 7 7 CYS HB2 H 1 2.963 0.020 . 2 . . . . 104 CYS HB2 . 17664 1
53 . 1 1 7 7 CYS C C 13 174.581 0.100 . 1 . . . . 104 CYS C . 17664 1
54 . 1 1 7 7 CYS CA C 13 58.443 0.100 . 1 . . . . 104 CYS CA . 17664 1
55 . 1 1 7 7 CYS CB C 13 27.847 0.100 . 1 . . . . 104 CYS CB . 17664 1
56 . 1 1 7 7 CYS N N 15 120.919 0.100 . 1 . . . . 104 CYS N . 17664 1
57 . 1 1 8 8 LYS H H 1 8.461 0.020 . 1 . . . . 105 LYS H . 17664 1
58 . 1 1 8 8 LYS HA H 1 4.382 0.020 . 1 . . . . 105 LYS HA . 17664 1
59 . 1 1 8 8 LYS HB2 H 1 1.776 0.020 . 2 . . . . 105 LYS HB2 . 17664 1
60 . 1 1 8 8 LYS HB3 H 1 1.888 0.020 . 2 . . . . 105 LYS HB3 . 17664 1
61 . 1 1 8 8 LYS HG2 H 1 1.425 0.020 . 2 . . . . 105 LYS HG2 . 17664 1
62 . 1 1 8 8 LYS HG3 H 1 1.475 0.020 . 2 . . . . 105 LYS HG3 . 17664 1
63 . 1 1 8 8 LYS HD2 H 1 1.686 0.020 . 2 . . . . 105 LYS HD2 . 17664 1
64 . 1 1 8 8 LYS HE2 H 1 3.002 0.020 . 2 . . . . 105 LYS HE2 . 17664 1
65 . 1 1 8 8 LYS C C 13 176.709 0.100 . 1 . . . . 105 LYS C . 17664 1
66 . 1 1 8 8 LYS CA C 13 56.315 0.100 . 1 . . . . 105 LYS CA . 17664 1
67 . 1 1 8 8 LYS CB C 13 32.842 0.100 . 1 . . . . 105 LYS CB . 17664 1
68 . 1 1 8 8 LYS CG C 13 24.818 0.100 . 1 . . . . 105 LYS CG . 17664 1
69 . 1 1 8 8 LYS CD C 13 29.005 0.100 . 1 . . . . 105 LYS CD . 17664 1
70 . 1 1 8 8 LYS CE C 13 42.144 0.100 . 1 . . . . 105 LYS CE . 17664 1
71 . 1 1 8 8 LYS N N 15 123.900 0.100 . 1 . . . . 105 LYS N . 17664 1
72 . 1 1 9 9 THR H H 1 8.125 0.020 . 1 . . . . 106 THR H . 17664 1
73 . 1 1 9 9 THR HA H 1 4.350 0.020 . 1 . . . . 106 THR HA . 17664 1
74 . 1 1 9 9 THR HB H 1 4.162 0.020 . 1 . . . . 106 THR HB . 17664 1
75 . 1 1 9 9 THR HG21 H 1 1.159 0.020 . 1 . . . . 106 THR HG2 . 17664 1
76 . 1 1 9 9 THR HG22 H 1 1.159 0.020 . 1 . . . . 106 THR HG2 . 17664 1
77 . 1 1 9 9 THR HG23 H 1 1.159 0.020 . 1 . . . . 106 THR HG2 . 17664 1
78 . 1 1 9 9 THR C C 13 174.574 0.100 . 1 . . . . 106 THR C . 17664 1
79 . 1 1 9 9 THR CA C 13 62.035 0.100 . 1 . . . . 106 THR CA . 17664 1
80 . 1 1 9 9 THR CB C 13 69.808 0.100 . 1 . . . . 106 THR CB . 17664 1
81 . 1 1 9 9 THR CG2 C 13 21.686 0.100 . 1 . . . . 106 THR CG2 . 17664 1
82 . 1 1 9 9 THR N N 15 114.986 0.100 . 1 . . . . 106 THR N . 17664 1
83 . 1 1 10 10 SER H H 1 8.468 0.020 . 1 . . . . 107 SER H . 17664 1
84 . 1 1 10 10 SER HA H 1 4.507 0.020 . 1 . . . . 107 SER HA . 17664 1
85 . 1 1 10 10 SER HB2 H 1 3.926 0.020 . 2 . . . . 107 SER HB2 . 17664 1
86 . 1 1 10 10 SER C C 13 174.767 0.100 . 1 . . . . 107 SER C . 17664 1
87 . 1 1 10 10 SER CA C 13 58.318 0.100 . 1 . . . . 107 SER CA . 17664 1
88 . 1 1 10 10 SER CB C 13 63.779 0.100 . 1 . . . . 107 SER CB . 17664 1
89 . 1 1 10 10 SER N N 15 118.603 0.100 . 1 . . . . 107 SER N . 17664 1
90 . 1 1 11 11 TRP H H 1 8.387 0.020 . 1 . . . . 108 TRP H . 17664 1
91 . 1 1 11 11 TRP HA H 1 4.555 0.020 . 1 . . . . 108 TRP HA . 17664 1
92 . 1 1 11 11 TRP HB2 H 1 3.340 0.020 . 2 . . . . 108 TRP HB2 . 17664 1
93 . 1 1 11 11 TRP HD1 H 1 7.289 0.020 . 1 . . . . 108 TRP HD1 . 17664 1
94 . 1 1 11 11 TRP HE1 H 1 10.172 0.020 . 1 . . . . 108 TRP HE1 . 17664 1
95 . 1 1 11 11 TRP HE3 H 1 7.623 0.020 . 1 . . . . 108 TRP HE3 . 17664 1
96 . 1 1 11 11 TRP HZ2 H 1 7.521 0.020 . 1 . . . . 108 TRP HZ2 . 17664 1
97 . 1 1 11 11 TRP HZ3 H 1 7.174 0.020 . 1 . . . . 108 TRP HZ3 . 17664 1
98 . 1 1 11 11 TRP HH2 H 1 7.259 0.020 . 1 . . . . 108 TRP HH2 . 17664 1
99 . 1 1 11 11 TRP C C 13 176.618 0.100 . 1 . . . . 108 TRP C . 17664 1
100 . 1 1 11 11 TRP CB C 13 29.150 0.100 . 1 . . . . 108 TRP CB . 17664 1
101 . 1 1 11 11 TRP CD1 C 13 125.956 0.100 . 1 . . . . 108 TRP CD1 . 17664 1
102 . 1 1 11 11 TRP CE3 C 13 121.549 0.100 . 1 . . . . 108 TRP CE3 . 17664 1
103 . 1 1 11 11 TRP CZ2 C 13 114.904 0.100 . 1 . . . . 108 TRP CZ2 . 17664 1
104 . 1 1 11 11 TRP CZ3 C 13 120.440 0.100 . 1 . . . . 108 TRP CZ3 . 17664 1
105 . 1 1 11 11 TRP CH2 C 13 124.790 0.100 . 1 . . . . 108 TRP CH2 . 17664 1
106 . 1 1 11 11 TRP N N 15 123.591 0.100 . 1 . . . . 108 TRP N . 17664 1
107 . 1 1 11 11 TRP NE1 N 15 129.357 0.100 . 1 . . . . 108 TRP NE1 . 17664 1
108 . 1 1 12 12 ALA H H 1 8.087 0.020 . 1 . . . . 109 ALA H . 17664 1
109 . 1 1 12 12 ALA HA H 1 4.078 0.020 . 1 . . . . 109 ALA HA . 17664 1
110 . 1 1 12 12 ALA HB1 H 1 1.302 0.020 . 1 . . . . 109 ALA HB . 17664 1
111 . 1 1 12 12 ALA HB2 H 1 1.302 0.020 . 1 . . . . 109 ALA HB . 17664 1
112 . 1 1 12 12 ALA HB3 H 1 1.302 0.020 . 1 . . . . 109 ALA HB . 17664 1
113 . 1 1 12 12 ALA C C 13 178.304 0.100 . 1 . . . . 109 ALA C . 17664 1
114 . 1 1 12 12 ALA CA C 13 53.640 0.100 . 1 . . . . 109 ALA CA . 17664 1
115 . 1 1 12 12 ALA CB C 13 18.728 0.100 . 1 . . . . 109 ALA CB . 17664 1
116 . 1 1 12 12 ALA N N 15 122.908 0.100 . 1 . . . . 109 ALA N . 17664 1
117 . 1 1 13 13 ASP H H 1 7.978 0.020 . 1 . . . . 110 ASP H . 17664 1
118 . 1 1 13 13 ASP HA H 1 4.507 0.020 . 1 . . . . 110 ASP HA . 17664 1
119 . 1 1 13 13 ASP HB2 H 1 2.699 0.020 . 2 . . . . 110 ASP HB2 . 17664 1
120 . 1 1 13 13 ASP C C 13 176.818 0.100 . 1 . . . . 110 ASP C . 17664 1
121 . 1 1 13 13 ASP CA C 13 55.149 0.100 . 1 . . . . 110 ASP CA . 17664 1
122 . 1 1 13 13 ASP CB C 13 40.973 0.100 . 1 . . . . 110 ASP CB . 17664 1
123 . 1 1 13 13 ASP N N 15 118.118 0.100 . 1 . . . . 110 ASP N . 17664 1
124 . 1 1 14 14 ARG H H 1 7.984 0.020 . 1 . . . . 111 ARG H . 17664 1
125 . 1 1 14 14 ARG HA H 1 4.227 0.020 . 1 . . . . 111 ARG HA . 17664 1
126 . 1 1 14 14 ARG HB2 H 1 1.830 0.020 . 2 . . . . 111 ARG HB2 . 17664 1
127 . 1 1 14 14 ARG HG2 H 1 1.620 0.020 . 2 . . . . 111 ARG HG2 . 17664 1
128 . 1 1 14 14 ARG HD2 H 1 3.097 0.020 . 2 . . . . 111 ARG HD2 . 17664 1
129 . 1 1 14 14 ARG C C 13 177.381 0.100 . 1 . . . . 111 ARG C . 17664 1
130 . 1 1 14 14 ARG CA C 13 57.410 0.100 . 1 . . . . 111 ARG CA . 17664 1
131 . 1 1 14 14 ARG CB C 13 30.464 0.100 . 1 . . . . 111 ARG CB . 17664 1
132 . 1 1 14 14 ARG CG C 13 27.209 0.100 . 1 . . . . 111 ARG CG . 17664 1
133 . 1 1 14 14 ARG N N 15 120.478 0.100 . 1 . . . . 111 ARG N . 17664 1
134 . 1 1 15 15 VAL H H 1 8.017 0.020 . 1 . . . . 112 VAL H . 17664 1
135 . 1 1 15 15 VAL HA H 1 3.924 0.020 . 1 . . . . 112 VAL HA . 17664 1
136 . 1 1 15 15 VAL HB H 1 2.039 0.020 . 1 . . . . 112 VAL HB . 17664 1
137 . 1 1 15 15 VAL HG11 H 1 0.868 0.020 . 2 . . . . 112 VAL HG1 . 17664 1
138 . 1 1 15 15 VAL HG12 H 1 0.868 0.020 . 2 . . . . 112 VAL HG1 . 17664 1
139 . 1 1 15 15 VAL HG13 H 1 0.868 0.020 . 2 . . . . 112 VAL HG1 . 17664 1
140 . 1 1 15 15 VAL HG21 H 1 0.906 0.020 . 2 . . . . 112 VAL HG2 . 17664 1
141 . 1 1 15 15 VAL HG22 H 1 0.906 0.020 . 2 . . . . 112 VAL HG2 . 17664 1
142 . 1 1 15 15 VAL HG23 H 1 0.906 0.020 . 2 . . . . 112 VAL HG2 . 17664 1
143 . 1 1 15 15 VAL C C 13 177.033 0.100 . 1 . . . . 112 VAL C . 17664 1
144 . 1 1 15 15 VAL CA C 13 63.951 0.100 . 1 . . . . 112 VAL CA . 17664 1
145 . 1 1 15 15 VAL CB C 13 32.270 0.100 . 1 . . . . 112 VAL CB . 17664 1
146 . 1 1 15 15 VAL CG1 C 13 21.091 0.100 . 1 . . . . 112 VAL CG1 . 17664 1
147 . 1 1 15 15 VAL CG2 C 13 21.044 0.100 . 1 . . . . 112 VAL CG2 . 17664 1
148 . 1 1 15 15 VAL N N 15 120.220 0.100 . 1 . . . . 112 VAL N . 17664 1
149 . 1 1 16 16 ARG H H 1 8.095 0.020 . 1 . . . . 113 ARG H . 17664 1
150 . 1 1 16 16 ARG HA H 1 4.243 0.020 . 1 . . . . 113 ARG HA . 17664 1
151 . 1 1 16 16 ARG HB2 H 1 1.852 0.020 . 2 . . . . 113 ARG HB2 . 17664 1
152 . 1 1 16 16 ARG HB3 H 1 1.922 0.020 . 2 . . . . 113 ARG HB3 . 17664 1
153 . 1 1 16 16 ARG HG2 H 1 1.649 0.020 . 2 . . . . 113 ARG HG2 . 17664 1
154 . 1 1 16 16 ARG C C 13 177.191 0.100 . 1 . . . . 113 ARG C . 17664 1
155 . 1 1 16 16 ARG CA C 13 57.457 0.100 . 1 . . . . 113 ARG CA . 17664 1
156 . 1 1 16 16 ARG CB C 13 30.574 0.100 . 1 . . . . 113 ARG CB . 17664 1
157 . 1 1 16 16 ARG CG C 13 26.943 0.100 . 1 . . . . 113 ARG CG . 17664 1
158 . 1 1 16 16 ARG N N 15 123.140 0.100 . 1 . . . . 113 ARG N . 17664 1
159 . 1 1 17 17 GLU H H 1 8.300 0.020 . 1 . . . . 114 GLU H . 17664 1
160 . 1 1 17 17 GLU HA H 1 4.206 0.020 . 1 . . . . 114 GLU HA . 17664 1
161 . 1 1 17 17 GLU HB2 H 1 2.011 0.020 . 2 . . . . 114 GLU HB2 . 17664 1
162 . 1 1 17 17 GLU HB3 H 1 2.070 0.020 . 2 . . . . 114 GLU HB3 . 17664 1
163 . 1 1 17 17 GLU HG2 H 1 2.293 0.020 . 2 . . . . 114 GLU HG2 . 17664 1
164 . 1 1 17 17 GLU C C 13 176.968 0.100 . 1 . . . . 114 GLU C . 17664 1
165 . 1 1 17 17 GLU CA C 13 57.535 0.100 . 1 . . . . 114 GLU CA . 17664 1
166 . 1 1 17 17 GLU CB C 13 30.245 0.100 . 1 . . . . 114 GLU CB . 17664 1
167 . 1 1 17 17 GLU CG C 13 36.223 0.100 . 1 . . . . 114 GLU CG . 17664 1
168 . 1 1 17 17 GLU N N 15 121.128 0.100 . 1 . . . . 114 GLU N . 17664 1
169 . 1 1 18 18 ALA H H 1 8.173 0.020 . 1 . . . . 115 ALA H . 17664 1
170 . 1 1 18 18 ALA HA H 1 4.263 0.020 . 1 . . . . 115 ALA HA . 17664 1
171 . 1 1 18 18 ALA HB1 H 1 1.432 0.020 . 1 . . . . 115 ALA HB . 17664 1
172 . 1 1 18 18 ALA HB2 H 1 1.432 0.020 . 1 . . . . 115 ALA HB . 17664 1
173 . 1 1 18 18 ALA HB3 H 1 1.432 0.020 . 1 . . . . 115 ALA HB . 17664 1
174 . 1 1 18 18 ALA C C 13 178.285 0.100 . 1 . . . . 115 ALA C . 17664 1
175 . 1 1 18 18 ALA CA C 13 53.029 0.100 . 1 . . . . 115 ALA CA . 17664 1
176 . 1 1 18 18 ALA CB C 13 18.775 0.100 . 1 . . . . 115 ALA CB . 17664 1
177 . 1 1 18 18 ALA N N 15 123.879 0.100 . 1 . . . . 115 ALA N . 17664 1
178 . 1 1 19 19 ALA H H 1 8.081 0.020 . 1 . . . . 116 ALA H . 17664 1
179 . 1 1 19 19 ALA HA H 1 4.271 0.020 . 1 . . . . 116 ALA HA . 17664 1
180 . 1 1 19 19 ALA HB1 H 1 1.434 0.020 . 1 . . . . 116 ALA HB . 17664 1
181 . 1 1 19 19 ALA HB2 H 1 1.434 0.020 . 1 . . . . 116 ALA HB . 17664 1
182 . 1 1 19 19 ALA HB3 H 1 1.434 0.020 . 1 . . . . 116 ALA HB . 17664 1
183 . 1 1 19 19 ALA C C 13 178.004 0.100 . 1 . . . . 116 ALA C . 17664 1
184 . 1 1 19 19 ALA CA C 13 53.248 0.100 . 1 . . . . 116 ALA CA . 17664 1
185 . 1 1 19 19 ALA CB C 13 18.978 0.100 . 1 . . . . 116 ALA CB . 17664 1
186 . 1 1 19 19 ALA N N 15 121.929 0.100 . 1 . . . . 116 ALA N . 17664 1
187 . 1 1 20 20 ALA H H 1 8.015 0.020 . 1 . . . . 117 ALA H . 17664 1
188 . 1 1 20 20 ALA HA H 1 4.289 0.020 . 1 . . . . 117 ALA HA . 17664 1
189 . 1 1 20 20 ALA HB1 H 1 1.442 0.020 . 1 . . . . 117 ALA HB . 17664 1
190 . 1 1 20 20 ALA HB2 H 1 1.442 0.020 . 1 . . . . 117 ALA HB . 17664 1
191 . 1 1 20 20 ALA HB3 H 1 1.442 0.020 . 1 . . . . 117 ALA HB . 17664 1
192 . 1 1 20 20 ALA C C 13 177.866 0.100 . 1 . . . . 117 ALA C . 17664 1
193 . 1 1 20 20 ALA CA C 13 52.794 0.100 . 1 . . . . 117 ALA CA . 17664 1
194 . 1 1 20 20 ALA CB C 13 18.869 0.100 . 1 . . . . 117 ALA CB . 17664 1
195 . 1 1 20 20 ALA N N 15 121.880 0.100 . 1 . . . . 117 ALA N . 17664 1
196 . 1 1 21 21 GLN H H 1 8.092 0.020 . 1 . . . . 118 GLN H . 17664 1
197 . 1 1 21 21 GLN HA H 1 4.329 0.020 . 1 . . . . 118 GLN HA . 17664 1
198 . 1 1 21 21 GLN HB2 H 1 2.025 0.020 . 2 . . . . 118 GLN HB2 . 17664 1
199 . 1 1 21 21 GLN HB3 H 1 2.142 0.020 . 2 . . . . 118 GLN HB3 . 17664 1
200 . 1 1 21 21 GLN HG2 H 1 2.418 0.020 . 2 . . . . 118 GLN HG2 . 17664 1
201 . 1 1 21 21 GLN HE21 H 1 7.561 0.020 . 2 . . . . 118 GLN HE21 . 17664 1
202 . 1 1 21 21 GLN HE22 H 1 6.879 0.020 . 2 . . . . 118 GLN HE22 . 17664 1
203 . 1 1 21 21 GLN C C 13 175.803 0.100 . 1 . . . . 118 GLN C . 17664 1
204 . 1 1 21 21 GLN CA C 13 55.865 0.100 . 1 . . . . 118 GLN CA . 17664 1
205 . 1 1 21 21 GLN CB C 13 29.253 0.100 . 1 . . . . 118 GLN CB . 17664 1
206 . 1 1 21 21 GLN CG C 13 33.785 0.100 . 1 . . . . 118 GLN CG . 17664 1
207 . 1 1 21 21 GLN N N 15 118.435 0.100 . 1 . . . . 118 GLN N . 17664 1
208 . 1 1 21 21 GLN NE2 N 15 112.388 0.100 . 1 . . . . 118 GLN NE2 . 17664 1
209 . 1 1 22 22 ARG H H 1 8.216 0.020 . 1 . . . . 119 ARG H . 17664 1
210 . 1 1 22 22 ARG HA H 1 4.377 0.020 . 1 . . . . 119 ARG HA . 17664 1
211 . 1 1 22 22 ARG HB2 H 1 1.808 0.020 . 2 . . . . 119 ARG HB2 . 17664 1
212 . 1 1 22 22 ARG HB3 H 1 1.925 0.020 . 2 . . . . 119 ARG HB3 . 17664 1
213 . 1 1 22 22 ARG HG2 H 1 1.678 0.020 . 2 . . . . 119 ARG HG2 . 17664 1
214 . 1 1 22 22 ARG HD2 H 1 3.216 0.020 . 2 . . . . 119 ARG HD2 . 17664 1
215 . 1 1 22 22 ARG C C 13 175.266 0.100 . 1 . . . . 119 ARG C . 17664 1
216 . 1 1 22 22 ARG CA C 13 56.523 0.100 . 1 . . . . 119 ARG CA . 17664 1
217 . 1 1 22 22 ARG CB C 13 30.769 0.100 . 1 . . . . 119 ARG CB . 17664 1
218 . 1 1 22 22 ARG CG C 13 27.178 0.100 . 1 . . . . 119 ARG CG . 17664 1
219 . 1 1 22 22 ARG N N 15 122.481 0.100 . 1 . . . . 119 ARG N . 17664 1
220 . 1 1 23 23 ARG H H 1 8.011 0.020 . 1 . . . . 120 ARG H . 17664 1
221 . 1 1 23 23 ARG HA H 1 4.218 0.020 . 1 . . . . 120 ARG HA . 17664 1
222 . 1 1 23 23 ARG HB2 H 1 1.735 0.020 . 2 . . . . 120 ARG HB2 . 17664 1
223 . 1 1 23 23 ARG HB3 H 1 1.874 0.020 . 2 . . . . 120 ARG HB3 . 17664 1
224 . 1 1 23 23 ARG HG2 H 1 1.623 0.020 . 2 . . . . 120 ARG HG2 . 17664 1
225 . 1 1 23 23 ARG HD2 H 1 3.205 0.020 . 2 . . . . 120 ARG HD2 . 17664 1
226 . 1 1 23 23 ARG CA C 13 57.191 0.100 . 1 . . . . 120 ARG CA . 17664 1
227 . 1 1 23 23 ARG CB C 13 31.613 0.100 . 1 . . . . 120 ARG CB . 17664 1
228 . 1 1 23 23 ARG N N 15 127.811 0.100 . 1 . . . . 120 ARG N . 17664 1
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