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 25783
_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 DQF-COSY' . . . 25783 1
2 '2D 1H-1H NOESY' . . . 25783 1
3 '2D 1H-1H TOCSY' . . . 25783 1
4 '2D 1H-13C HSQC' . . . 25783 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
2 $Mestrenova . . 25783 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 4.592 0.057 . 2 . . . A 1 GLY HA2 . 25783 1
2 . 1 1 1 1 GLY HA3 H 1 3.843 0.041 . 2 . . . A 1 GLY HA3 . 25783 1
3 . 1 1 1 1 GLY H H 1 8.477 0.022 . 1 . . . A 1 GLY H1 . 25783 1
4 . 1 1 1 1 GLY CA C 13 42.641 0.557 . 1 . . . A 1 GLY CA . 25783 1
5 . 1 1 2 2 PRO HA H 1 4.755 0.047 . 1 . . . A 2 PRO HA . 25783 1
6 . 1 1 2 2 PRO HB2 H 1 2.167 0.027 . 1 . . . A 2 PRO HB2 . 25783 1
7 . 1 1 2 2 PRO HB3 H 1 2.167 0.027 . 1 . . . A 2 PRO HB3 . 25783 1
8 . 1 1 2 2 PRO HG2 H 1 1.843 0.049 . 2 . . . A 2 PRO HG2 . 25783 1
9 . 1 1 2 2 PRO HG3 H 1 2.005 0.027 . 2 . . . A 2 PRO HG3 . 25783 1
10 . 1 1 2 2 PRO HD2 H 1 3.453 0.030 . 2 . . . A 2 PRO HD2 . 25783 1
11 . 1 1 2 2 PRO HD3 H 1 3.575 0.024 . 2 . . . A 2 PRO HD3 . 25783 1
12 . 1 1 2 2 PRO CB C 13 27.521 0.605 . 1 . . . A 2 PRO CB . 25783 1
13 . 1 1 2 2 PRO CG C 13 24.029 0.488 . 1 . . . A 2 PRO CG . 25783 1
14 . 1 1 2 2 PRO CD C 13 46.505 0.537 . 1 . . . A 2 PRO CD . 25783 1
15 . 1 1 3 3 THR H H 1 7.697 0.027 . 1 . . . A 3 THR H . 25783 1
16 . 1 1 3 3 THR HA H 1 4.661 0.065 . 1 . . . A 3 THR HA . 25783 1
17 . 1 1 3 3 THR HB H 1 4.328 0.051 . 1 . . . A 3 THR HB . 25783 1
18 . 1 1 3 3 THR HG21 H 1 1.078 0.048 . 1 . . . A 3 THR HG21 . 25783 1
19 . 1 1 3 3 THR HG22 H 1 1.078 0.048 . 1 . . . A 3 THR HG22 . 25783 1
20 . 1 1 3 3 THR HG23 H 1 1.078 0.048 . 1 . . . A 3 THR HG23 . 25783 1
21 . 1 1 3 3 THR CA C 13 58.119 0.417 . 1 . . . A 3 THR CA . 25783 1
22 . 1 1 3 3 THR CB C 13 67.067 0.435 . 1 . . . A 3 THR CB . 25783 1
23 . 1 1 3 3 THR CG2 C 13 18.203 0.557 . 1 . . . A 3 THR CG2 . 25783 1
24 . 1 1 4 4 PRO HA H 1 4.163 0.020 . 1 . . . A 4 PRO HA . 25783 1
25 . 1 1 4 4 PRO HB2 H 1 1.869 0.034 . 2 . . . A 4 PRO HB2 . 25783 1
26 . 1 1 4 4 PRO HB3 H 1 1.934 0.033 . 2 . . . A 4 PRO HB3 . 25783 1
27 . 1 1 4 4 PRO HG2 H 1 1.831 0.041 . 1 . . . A 4 PRO HG2 . 25783 1
28 . 1 1 4 4 PRO HG3 H 1 1.831 0.041 . 1 . . . A 4 PRO HG3 . 25783 1
29 . 1 1 4 4 PRO HD2 H 1 3.615 0.034 . 2 . . . A 4 PRO HD2 . 25783 1
30 . 1 1 4 4 PRO HD3 H 1 3.664 0.028 . 2 . . . A 4 PRO HD3 . 25783 1
31 . 1 1 4 4 PRO CA C 13 60.219 0.555 . 1 . . . A 4 PRO CA . 25783 1
32 . 1 1 4 4 PRO CB C 13 28.224 0.560 . 1 . . . A 4 PRO CB . 25783 1
33 . 1 1 4 4 PRO CG C 13 27.519 0.536 . 1 . . . A 4 PRO CG . 25783 1
34 . 1 1 4 4 PRO CD C 13 47.911 0.547 . 1 . . . A 4 PRO CD . 25783 1
35 . 1 1 5 5 MET H H 1 7.527 0.024 . 1 . . . A 5 MET H . 25783 1
36 . 1 1 5 5 MET HA H 1 4.630 0.063 . 1 . . . A 5 MET HA . 25783 1
37 . 1 1 5 5 MET HB2 H 1 2.043 0.059 . 1 . . . A 5 MET HB2 . 25783 1
38 . 1 1 5 5 MET HB3 H 1 2.043 0.059 . 1 . . . A 5 MET HB3 . 25783 1
39 . 1 1 5 5 MET HG2 H 1 2.461 0.042 . 1 . . . A 5 MET HG2 . 25783 1
40 . 1 1 5 5 MET HG3 H 1 2.461 0.042 . 1 . . . A 5 MET HG3 . 25783 1
41 . 1 1 5 5 MET HE1 H 1 1.942 0.029 . 1 . . . A 5 MET HE1 . 25783 1
42 . 1 1 5 5 MET HE2 H 1 1.942 0.029 . 1 . . . A 5 MET HE2 . 25783 1
43 . 1 1 5 5 MET HE3 H 1 1.942 0.029 . 1 . . . A 5 MET HE3 . 25783 1
44 . 1 1 5 5 MET CB C 13 31.723 0.539 . 1 . . . A 5 MET CB . 25783 1
45 . 1 1 5 5 MET CG C 13 29.444 0.578 . 1 . . . A 5 MET CG . 25783 1
46 . 1 1 5 5 MET CE C 13 14.166 0.734 . 1 . . . A 5 MET CE . 25783 1
47 . 1 1 6 6 VAL H H 1 8.442 0.022 . 1 . . . A 6 VAL H . 25783 1
48 . 1 1 6 6 VAL HA H 1 3.842 0.034 . 1 . . . A 6 VAL HA . 25783 1
49 . 1 1 6 6 VAL HB H 1 1.818 0.041 . 1 . . . A 6 VAL HB . 25783 1
50 . 1 1 6 6 VAL HG11 H 1 0.858 0.052 . 2 . . . A 6 VAL HG11 . 25783 1
51 . 1 1 6 6 VAL HG12 H 1 0.858 0.052 . 2 . . . A 6 VAL HG12 . 25783 1
52 . 1 1 6 6 VAL HG13 H 1 0.858 0.052 . 2 . . . A 6 VAL HG13 . 25783 1
53 . 1 1 6 6 VAL HG21 H 1 0.758 0.049 . 2 . . . A 6 VAL HG21 . 25783 1
54 . 1 1 6 6 VAL HG22 H 1 0.758 0.049 . 2 . . . A 6 VAL HG22 . 25783 1
55 . 1 1 6 6 VAL HG23 H 1 0.758 0.049 . 2 . . . A 6 VAL HG23 . 25783 1
56 . 1 1 6 6 VAL CA C 13 61.277 0.516 . 1 . . . A 6 VAL CA . 25783 1
57 . 1 1 6 6 VAL CB C 13 29.281 0.655 . 1 . . . A 6 VAL CB . 25783 1
58 . 1 1 6 6 VAL CG1 C 13 18.945 0.477 . 2 . . . A 6 VAL CG1 . 25783 1
59 . 1 1 6 6 VAL CG2 C 13 18.373 0.438 . 2 . . . A 6 VAL CG2 . 25783 1
60 . 1 1 7 7 GLY H H 1 8.267 0.016 . 1 . . . A 7 GLY H . 25783 1
61 . 1 1 7 7 GLY HA2 H 1 3.408 0.041 . 2 . . . A 7 GLY HA2 . 25783 1
62 . 1 1 7 7 GLY HA3 H 1 2.876 0.040 . 2 . . . A 7 GLY HA3 . 25783 1
63 . 1 1 7 7 GLY CA C 13 42.283 0.395 . 1 . . . A 7 GLY CA . 25783 1
64 . 1 1 8 8 LEU H H 1 6.472 0.029 . 1 . . . A 8 LEU H . 25783 1
65 . 1 1 8 8 LEU HA H 1 4.086 0.027 . 1 . . . A 8 LEU HA . 25783 1
66 . 1 1 8 8 LEU HB2 H 1 1.332 0.038 . 2 . . . A 8 LEU HB2 . 25783 1
67 . 1 1 8 8 LEU HB3 H 1 1.286 0.036 . 2 . . . A 8 LEU HB3 . 25783 1
68 . 1 1 8 8 LEU HG H 1 1.192 0.040 . 1 . . . A 8 LEU HG . 25783 1
69 . 1 1 8 8 LEU HD11 H 1 0.746 0.030 . 2 . . . A 8 LEU HD11 . 25783 1
70 . 1 1 8 8 LEU HD12 H 1 0.746 0.030 . 2 . . . A 8 LEU HD12 . 25783 1
71 . 1 1 8 8 LEU HD13 H 1 0.746 0.030 . 2 . . . A 8 LEU HD13 . 25783 1
72 . 1 1 8 8 LEU HD21 H 1 0.664 0.040 . 2 . . . A 8 LEU HD21 . 25783 1
73 . 1 1 8 8 LEU HD22 H 1 0.664 0.040 . 2 . . . A 8 LEU HD22 . 25783 1
74 . 1 1 8 8 LEU HD23 H 1 0.664 0.040 . 2 . . . A 8 LEU HD23 . 25783 1
75 . 1 1 8 8 LEU CA C 13 52.134 0.507 . 1 . . . A 8 LEU CA . 25783 1
76 . 1 1 8 8 LEU CB C 13 39.958 0.492 . 1 . . . A 8 LEU CB . 25783 1
77 . 1 1 8 8 LEU CG C 13 24.003 0.578 . 1 . . . A 8 LEU CG . 25783 1
78 . 1 1 8 8 LEU CD1 C 13 21.736 0.449 . 1 . . . A 8 LEU CD1 . 25783 1
79 . 1 1 8 8 LEU CD2 C 13 21.188 0.495 . 2 . . . A 8 LEU CD2 . 25783 1
80 . 1 1 9 9 ASP H H 1 8.401 0.024 . 1 . . . A 9 ASP H . 25783 1
81 . 1 1 9 9 ASP HA H 1 4.670 0.047 . 1 . . . A 9 ASP HA . 25783 1
82 . 1 1 9 9 ASP HB2 H 1 3.327 0.055 . 2 . . . A 9 ASP HB2 . 25783 1
83 . 1 1 9 9 ASP HB3 H 1 2.305 0.053 . 2 . . . A 9 ASP HB3 . 25783 1
84 . 1 1 9 9 ASP CB C 13 39.699 0.492 . 1 . . . A 9 ASP CB . 25783 1
85 . 1 1 10 10 SER H H 1 9.124 0.019 . 1 . . . A 10 SER H . 25783 1
86 . 1 1 10 10 SER HA H 1 4.254 0.028 . 1 . . . A 10 SER HA . 25783 1
87 . 1 1 10 10 SER HB2 H 1 3.925 0.042 . 2 . . . A 10 SER HB2 . 25783 1
88 . 1 1 10 10 SER HB3 H 1 3.808 0.047 . 2 . . . A 10 SER HB3 . 25783 1
89 . 1 1 10 10 SER CA C 13 57.056 0.633 . 1 . . . A 10 SER CA . 25783 1
90 . 1 1 10 10 SER CB C 13 60.570 0.541 . 1 . . . A 10 SER CB . 25783 1
91 . 1 1 11 11 VAL H H 1 8.901 0.037 . 1 . . . A 11 VAL H . 25783 1
92 . 1 1 11 11 VAL HA H 1 4.084 0.040 . 1 . . . A 11 VAL HA . 25783 1
93 . 1 1 11 11 VAL HB H 1 2.052 0.069 . 1 . . . A 11 VAL HB . 25783 1
94 . 1 1 11 11 VAL HG11 H 1 0.839 0.054 . 1 . . . A 11 VAL HG11 . 25783 1
95 . 1 1 11 11 VAL HG12 H 1 0.839 0.054 . 1 . . . A 11 VAL HG12 . 25783 1
96 . 1 1 11 11 VAL HG13 H 1 0.839 0.054 . 1 . . . A 11 VAL HG13 . 25783 1
97 . 1 1 11 11 VAL HG21 H 1 0.839 0.054 . 1 . . . A 11 VAL HG21 . 25783 1
98 . 1 1 11 11 VAL HG22 H 1 0.839 0.054 . 1 . . . A 11 VAL HG22 . 25783 1
99 . 1 1 11 11 VAL HG23 H 1 0.839 0.054 . 1 . . . A 11 VAL HG23 . 25783 1
100 . 1 1 11 11 VAL CA C 13 61.750 0.578 . 1 . . . A 11 VAL CA . 25783 1
101 . 1 1 11 11 VAL CB C 13 30.568 0.447 . 1 . . . A 11 VAL CB . 25783 1
102 . 1 1 11 11 VAL CG1 C 13 18.378 0.465 . 2 . . . A 11 VAL CG1 . 25783 1
103 . 1 1 11 11 VAL CG2 C 13 18.378 0.465 . 2 . . . A 11 VAL CG2 . 25783 1
104 . 1 1 12 12 SER H H 1 7.699 0.017 . 1 . . . A 12 SER H . 25783 1
105 . 1 1 12 12 SER HA H 1 4.436 0.033 . 1 . . . A 12 SER HA . 25783 1
106 . 1 1 12 12 SER HB2 H 1 3.761 0.031 . 2 . . . A 12 SER HB2 . 25783 1
107 . 1 1 12 12 SER HB3 H 1 3.723 0.025 . 2 . . . A 12 SER HB3 . 25783 1
108 . 1 1 12 12 SER CA C 13 55.999 0.500 . 1 . . . A 12 SER CA . 25783 1
109 . 1 1 12 12 SER CB C 13 61.279 0.621 . 1 . . . A 12 SER CB . 25783 1
110 . 1 1 13 13 GLY H H 1 8.537 0.027 . 1 . . . A 13 GLY H . 25783 1
111 . 1 1 13 13 GLY HA2 H 1 4.160 0.051 . 2 . . . A 13 GLY HA2 . 25783 1
112 . 1 1 13 13 GLY HA3 H 1 3.833 0.057 . 2 . . . A 13 GLY HA3 . 25783 1
113 . 1 1 13 13 GLY CA C 13 42.303 0.481 . 1 . . . A 13 GLY CA . 25783 1
114 . 1 1 14 14 GLN H H 1 8.150 0.020 . 1 . . . A 14 GLN H . 25783 1
115 . 1 1 14 14 GLN HA H 1 4.261 0.030 . 1 . . . A 14 GLN HA . 25783 1
116 . 1 1 14 14 GLN HB2 H 1 1.554 0.051 . 1 . . . A 14 GLN HB2 . 25783 1
117 . 1 1 14 14 GLN HB3 H 1 1.554 0.051 . 1 . . . A 14 GLN HB3 . 25783 1
118 . 1 1 14 14 GLN HG2 H 1 1.862 0.035 . 2 . . . A 14 GLN HG2 . 25783 1
119 . 1 1 14 14 GLN HG3 H 1 1.767 0.037 . 2 . . . A 14 GLN HG3 . 25783 1
120 . 1 1 14 14 GLN HE21 H 1 6.682 0.055 . 2 . . . A 14 GLN HE21 . 25783 1
121 . 1 1 14 14 GLN HE22 H 1 7.139 0.031 . 2 . . . A 14 GLN HE22 . 25783 1
122 . 1 1 14 14 GLN CA C 13 53.044 0.495 . 1 . . . A 14 GLN CA . 25783 1
123 . 1 1 14 14 GLN CB C 13 26.805 0.596 . 1 . . . A 14 GLN CB . 25783 1
124 . 1 1 14 14 GLN CG C 13 30.684 0.581 . 1 . . . A 14 GLN CG . 25783 1
125 . 1 1 15 15 TYR H H 1 8.232 0.024 . 1 . . . A 15 TYR H . 25783 1
126 . 1 1 15 15 TYR HA H 1 4.934 0.062 . 1 . . . A 15 TYR HA . 25783 1
127 . 1 1 15 15 TYR HB2 H 1 3.293 0.068 . 2 . . . A 15 TYR HB2 . 25783 1
128 . 1 1 15 15 TYR HB3 H 1 2.937 0.067 . 2 . . . A 15 TYR HB3 . 25783 1
129 . 1 1 15 15 TYR HD1 H 1 6.841 0.032 . 3 . . . A 15 TYR HD1 . 25783 1
130 . 1 1 15 15 TYR HD2 H 1 6.841 0.032 . 3 . . . A 15 TYR HD2 . 25783 1
131 . 1 1 15 15 TYR HE1 H 1 6.617 0.021 . 1 . . . A 15 TYR HE1 . 25783 1
132 . 1 1 15 15 TYR HE2 H 1 6.617 0.021 . 1 . . . A 15 TYR HE2 . 25783 1
133 . 1 1 15 15 TYR CB C 13 37.370 0.526 . 1 . . . A 15 TYR CB . 25783 1
134 . 1 1 15 15 TYR CD1 C 13 130.557 0.562 . 2 . . . A 15 TYR CD1 . 25783 1
135 . 1 1 15 15 TYR CD2 C 13 130.557 0.562 . 2 . . . A 15 TYR CD2 . 25783 1
136 . 1 1 15 15 TYR CE1 C 13 114.908 0.552 . 2 . . . A 15 TYR CE1 . 25783 1
137 . 1 1 15 15 TYR CE2 C 13 114.908 0.552 . 2 . . . A 15 TYR CE2 . 25783 1
138 . 1 1 16 16 TRP H H 1 8.641 0.028 . 1 . . . A 16 TRP H . 25783 1
139 . 1 1 16 16 TRP HA H 1 4.197 0.032 . 1 . . . A 16 TRP HA . 25783 1
140 . 1 1 16 16 TRP HB2 H 1 3.215 0.048 . 2 . . . A 16 TRP HB2 . 25783 1
141 . 1 1 16 16 TRP HB3 H 1 2.803 0.053 . 2 . . . A 16 TRP HB3 . 25783 1
142 . 1 1 16 16 TRP HD1 H 1 7.232 0.028 . 1 . . . A 16 TRP HD1 . 25783 1
143 . 1 1 16 16 TRP HE1 H 1 10.081 0.021 . 1 . . . A 16 TRP HE1 . 25783 1
144 . 1 1 16 16 TRP HE3 H 1 7.604 0.024 . 1 . . . A 16 TRP HE3 . 25783 1
145 . 1 1 16 16 TRP HZ2 H 1 7.389 0.028 . 1 . . . A 16 TRP HZ2 . 25783 1
146 . 1 1 16 16 TRP HZ3 H 1 7.096 0.079 . 1 . . . A 16 TRP HZ3 . 25783 1
147 . 1 1 16 16 TRP HH2 H 1 7.153 0.062 . 1 . . . A 16 TRP HH2 . 25783 1
148 . 1 1 16 16 TRP CA C 13 54.464 0.518 . 1 . . . A 16 TRP CA . 25783 1
149 . 1 1 16 16 TRP CB C 13 28.028 0.473 . 1 . . . A 16 TRP CB . 25783 1
150 . 1 1 16 16 TRP CD1 C 13 124.782 0.509 . 1 . . . A 16 TRP CD1 . 25783 1
151 . 1 1 16 16 TRP CE3 C 13 118.598 0.443 . 1 . . . A 16 TRP CE3 . 25783 1
152 . 1 1 16 16 TRP CZ2 C 13 112.262 0.417 . 1 . . . A 16 TRP CZ2 . 25783 1
153 . 1 1 16 16 TRP CZ3 C 13 119.484 0.443 . 1 . . . A 16 TRP CZ3 . 25783 1
154 . 1 1 16 16 TRP CH2 C 13 122.465 0.463 . 1 . . . A 16 TRP CH2 . 25783 1
155 . 1 1 17 17 ASP H H 1 7.381 0.026 . 1 . . . A 17 ASP H . 25783 1
156 . 1 1 17 17 ASP HA H 1 4.295 0.031 . 1 . . . A 17 ASP HA . 25783 1
157 . 1 1 17 17 ASP HB2 H 1 2.705 0.061 . 1 . . . A 17 ASP HB2 . 25783 1
158 . 1 1 17 17 ASP HB3 H 1 2.705 0.061 . 1 . . . A 17 ASP HB3 . 25783 1
159 . 1 1 17 17 ASP CA C 13 50.728 0.559 . 1 . . . A 17 ASP CA . 25783 1
160 . 1 1 17 17 ASP CB C 13 37.014 0.617 . 1 . . . A 17 ASP CB . 25783 1
161 . 1 1 18 18 GLN H H 1 7.690 0.025 . 1 . . . A 18 GLN H . 25783 1
162 . 1 1 18 18 GLN HA H 1 3.421 0.027 . 1 . . . A 18 GLN HA . 25783 1
163 . 1 1 18 18 GLN HB2 H 1 1.689 0.046 . 2 . . . A 18 GLN HB2 . 25783 1
164 . 1 1 18 18 GLN HB3 H 1 1.566 0.040 . 2 . . . A 18 GLN HB3 . 25783 1
165 . 1 1 18 18 GLN HG2 H 1 1.948 0.050 . 1 . . . A 18 GLN HG2 . 25783 1
166 . 1 1 18 18 GLN HG3 H 1 1.948 0.050 . 1 . . . A 18 GLN HG3 . 25783 1
167 . 1 1 18 18 GLN HE21 H 1 6.787 0.030 . 2 . . . A 18 GLN HE21 . 25783 1
168 . 1 1 18 18 GLN HE22 H 1 7.315 0.018 . 2 . . . A 18 GLN HE22 . 25783 1
169 . 1 1 18 18 GLN CA C 13 53.543 0.559 . 1 . . . A 18 GLN CA . 25783 1
170 . 1 1 18 18 GLN CB C 13 26.467 0.547 . 1 . . . A 18 GLN CB . 25783 1
171 . 1 1 18 18 GLN CG C 13 31.126 0.607 . 1 . . . A 18 GLN CG . 25783 1
172 . 1 1 19 19 HIS H H 1 8.232 0.018 . 1 . . . A 19 HIS H . 25783 1
173 . 1 1 19 19 HIS HA H 1 4.475 0.034 . 1 . . . A 19 HIS HA . 25783 1
174 . 1 1 19 19 HIS HB2 H 1 3.068 0.041 . 2 . . . A 19 HIS HB2 . 25783 1
175 . 1 1 19 19 HIS HB3 H 1 2.974 0.039 . 2 . . . A 19 HIS HB3 . 25783 1
176 . 1 1 19 19 HIS HD2 H 1 7.079 0.011 . 1 . . . A 19 HIS HD2 . 25783 1
177 . 1 1 19 19 HIS HE1 H 1 8.347 0.026 . 1 . . . A 19 HIS HE1 . 25783 1
178 . 1 1 19 19 HIS CA C 13 52.135 0.513 . 1 . . . A 19 HIS CA . 25783 1
179 . 1 1 19 19 HIS CB C 13 26.464 0.536 . 1 . . . A 19 HIS CB . 25783 1
180 . 1 1 19 19 HIS CD2 C 13 117.402 0.483 . 1 . . . A 19 HIS CD2 . 25783 1
181 . 1 1 19 19 HIS CE1 C 13 133.370 0.549 . 1 . . . A 19 HIS CE1 . 25783 1
182 . 1 1 20 20 ALA H H 1 8.285 0.018 . 1 . . . A 20 ALA H . 25783 1
183 . 1 1 20 20 ALA HA H 1 4.421 0.034 . 1 . . . A 20 ALA HA . 25783 1
184 . 1 1 20 20 ALA HB1 H 1 1.229 0.051 . 1 . . . A 20 ALA HB1 . 25783 1
185 . 1 1 20 20 ALA HB2 H 1 1.229 0.051 . 1 . . . A 20 ALA HB2 . 25783 1
186 . 1 1 20 20 ALA HB3 H 1 1.229 0.051 . 1 . . . A 20 ALA HB3 . 25783 1
187 . 1 1 20 20 ALA CA C 13 47.918 0.518 . 1 . . . A 20 ALA CA . 25783 1
188 . 1 1 20 20 ALA CB C 13 15.213 0.596 . 1 . . . A 20 ALA CB . 25783 1
189 . 1 1 21 21 PRO HA H 1 4.291 0.040 . 1 . . . A 21 PRO HA . 25783 1
190 . 1 1 21 21 PRO HB2 H 1 1.771 0.038 . 2 . . . A 21 PRO HB2 . 25783 1
191 . 1 1 21 21 PRO HB3 H 1 2.165 0.056 . 2 . . . A 21 PRO HB3 . 25783 1
192 . 1 1 21 21 PRO HG2 H 1 1.901 0.036 . 1 . . . A 21 PRO HG2 . 25783 1
193 . 1 1 21 21 PRO HG3 H 1 1.901 0.036 . 1 . . . A 21 PRO HG3 . 25783 1
194 . 1 1 21 21 PRO HD2 H 1 3.497 0.025 . 2 . . . A 21 PRO HD2 . 25783 1
195 . 1 1 21 21 PRO HD3 H 1 3.660 0.026 . 2 . . . A 21 PRO HD3 . 25783 1
196 . 1 1 21 21 PRO CA C 13 60.368 0.518 . 1 . . . A 21 PRO CA . 25783 1
197 . 1 1 21 21 PRO CB C 13 29.244 0.526 . 1 . . . A 21 PRO CB . 25783 1
198 . 1 1 21 21 PRO CG C 13 24.683 0.557 . 1 . . . A 21 PRO CG . 25783 1
199 . 1 1 21 21 PRO CD C 13 47.629 0.481 . 1 . . . A 21 PRO CD . 25783 1
200 . 1 1 22 22 LEU H H 1 8.178 0.017 . 1 . . . A 22 LEU H . 25783 1
201 . 1 1 22 22 LEU HA H 1 4.144 0.036 . 1 . . . A 22 LEU HA . 25783 1
202 . 1 1 22 22 LEU HB2 H 1 1.439 0.029 . 1 . . . A 22 LEU HB2 . 25783 1
203 . 1 1 22 22 LEU HB3 H 1 1.439 0.029 . 1 . . . A 22 LEU HB3 . 25783 1
204 . 1 1 22 22 LEU HG H 1 1.490 0.031 . 1 . . . A 22 LEU HG . 25783 1
205 . 1 1 22 22 LEU HD11 H 1 0.760 0.029 . 2 . . . A 22 LEU HD11 . 25783 1
206 . 1 1 22 22 LEU HD12 H 1 0.760 0.029 . 2 . . . A 22 LEU HD12 . 25783 1
207 . 1 1 22 22 LEU HD13 H 1 0.760 0.029 . 2 . . . A 22 LEU HD13 . 25783 1
208 . 1 1 22 22 LEU HD21 H 1 0.694 0.041 . 2 . . . A 22 LEU HD21 . 25783 1
209 . 1 1 22 22 LEU HD22 H 1 0.694 0.041 . 2 . . . A 22 LEU HD22 . 25783 1
210 . 1 1 22 22 LEU HD23 H 1 0.694 0.041 . 2 . . . A 22 LEU HD23 . 25783 1
211 . 1 1 22 22 LEU CA C 13 52.327 0.596 . 1 . . . A 22 LEU CA . 25783 1
212 . 1 1 22 22 LEU CB C 13 39.612 0.548 . 1 . . . A 22 LEU CB . 25783 1
213 . 1 1 22 22 LEU CG C 13 24.286 0.545 . 1 . . . A 22 LEU CG . 25783 1
214 . 1 1 22 22 LEU CD1 C 13 22.041 0.419 . 2 . . . A 22 LEU CD1 . 25783 1
215 . 1 1 22 22 LEU CD2 C 13 20.700 0.408 . 2 . . . A 22 LEU CD2 . 25783 1
216 . 1 1 23 23 ALA H H 1 8.121 0.013 . 1 . . . A 23 ALA H . 25783 1
217 . 1 1 23 23 ALA HA H 1 4.200 0.045 . 1 . . . A 23 ALA HA . 25783 1
218 . 1 1 23 23 ALA HB1 H 1 1.239 0.041 . 1 . . . A 23 ALA HB1 . 25783 1
219 . 1 1 23 23 ALA HB2 H 1 1.239 0.041 . 1 . . . A 23 ALA HB2 . 25783 1
220 . 1 1 23 23 ALA HB3 H 1 1.239 0.041 . 1 . . . A 23 ALA HB3 . 25783 1
221 . 1 1 23 23 ALA CA C 13 49.479 0.536 . 1 . . . A 23 ALA CA . 25783 1
222 . 1 1 23 23 ALA CB C 13 16.576 0.605 . 1 . . . A 23 ALA CB . 25783 1
223 . 1 1 24 24 ASP H H 1 8.152 0.034 . 1 . . . A 24 ASP H . 25783 1
224 . 1 1 24 24 ASP HA H 1 4.573 0.028 . 1 . . . A 24 ASP HA . 25783 1
225 . 1 1 24 24 ASP HB2 H 1 2.793 0.063 . 1 . . . A 24 ASP HB2 . 25783 1
226 . 1 1 24 24 ASP HB3 H 1 2.793 0.063 . 1 . . . A 24 ASP HB3 . 25783 1
227 . 1 1 24 24 ASP CA C 13 49.529 0.500 . 1 . . . A 24 ASP CA . 25783 1
228 . 1 1 24 24 ASP CB C 13 35.814 0.674 . 1 . . . A 24 ASP CB . 25783 1
stop_
save_