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 30032
_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 $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 NOESY' . . . 30032 1
2 '2D 1H-1H TOCSY' . . . 30032 1
3 '2D 1H-13C HSQC aliphatic' . . . 30032 1
4 '2D 1H-13C HSQC aromatic' . . . 30032 1
5 '2D 1H-15N HSQC' . . . 30032 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 . . 30032 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 2 2 ILE H H 1 7.806 0.003 . 1 . 118 1 A 2 ILE H . 30032 1
2 . 1 1 2 2 ILE HA H 1 3.871 0.002 . 1 . 113 1 A 2 ILE HA . 30032 1
3 . 1 1 2 2 ILE HB H 1 1.505 0.009 . 1 . 117 1 A 2 ILE HB . 30032 1
4 . 1 1 2 2 ILE HG12 H 1 0.869 0.006 . 2 . 116 1 A 2 ILE HG12 . 30032 1
5 . 1 1 2 2 ILE HG13 H 1 1.231 0.006 . 2 . 175 1 A 2 ILE HG13 . 30032 1
6 . 1 1 2 2 ILE HG21 H 1 0.390 0.008 . 1 . 114 1 A 2 ILE HG21 . 30032 1
7 . 1 1 2 2 ILE HG22 H 1 0.390 0.008 . 1 . 114 1 A 2 ILE HG22 . 30032 1
8 . 1 1 2 2 ILE HG23 H 1 0.390 0.008 . 1 . 114 1 A 2 ILE HG23 . 30032 1
9 . 1 1 2 2 ILE HD11 H 1 0.638 0.007 . 1 . 115 1 A 2 ILE HD11 . 30032 1
10 . 1 1 2 2 ILE HD12 H 1 0.638 0.007 . 1 . 115 1 A 2 ILE HD12 . 30032 1
11 . 1 1 2 2 ILE HD13 H 1 0.638 0.007 . 1 . 115 1 A 2 ILE HD13 . 30032 1
12 . 1 1 2 2 ILE CB C 13 38.604 . . 1 . 165 1 A 2 ILE CB . 30032 1
13 . 1 1 2 2 ILE CG1 C 13 26.965 0.353 . 1 . 144 1 A 2 ILE CG1 . 30032 1
14 . 1 1 2 2 ILE CG2 C 13 17.093 . . 1 . 135 1 A 2 ILE CG2 . 30032 1
15 . 1 1 2 2 ILE CD1 C 13 12.658 . . 1 . 138 1 A 2 ILE CD1 . 30032 1
16 . 1 1 3 3 LEU H H 1 9.013 0.004 . 1 . 112 1 A 3 LEU H . 30032 1
17 . 1 1 3 3 LEU HA H 1 4.425 0.006 . 1 . 107 1 A 3 LEU HA . 30032 1
18 . 1 1 3 3 LEU HB2 H 1 1.665 0.003 . 1 . 111 1 A 3 LEU HB2 . 30032 1
19 . 1 1 3 3 LEU HB3 H 1 1.665 0.003 . 1 . 110 1 A 3 LEU HB3 . 30032 1
20 . 1 1 3 3 LEU HG H 1 1.608 0.01 . 1 . 109 1 A 3 LEU HG . 30032 1
21 . 1 1 3 3 LEU HD11 H 1 0.736 0.008 . 2 . 106 1 A 3 LEU HD11 . 30032 1
22 . 1 1 3 3 LEU HD12 H 1 0.736 0.008 . 2 . 106 1 A 3 LEU HD12 . 30032 1
23 . 1 1 3 3 LEU HD13 H 1 0.736 0.008 . 2 . 106 1 A 3 LEU HD13 . 30032 1
24 . 1 1 3 3 LEU HD21 H 1 0.792 0.009 . 2 . 108 1 A 3 LEU HD21 . 30032 1
25 . 1 1 3 3 LEU HD22 H 1 0.792 0.009 . 2 . 108 1 A 3 LEU HD22 . 30032 1
26 . 1 1 3 3 LEU HD23 H 1 0.792 0.009 . 2 . 108 1 A 3 LEU HD23 . 30032 1
27 . 1 1 3 3 LEU CB C 13 42.471 . . 1 . 164 1 A 3 LEU CB . 30032 1
28 . 1 1 3 3 LEU CG C 13 27.386 . . 1 . 163 1 A 3 LEU CG . 30032 1
29 . 1 1 3 3 LEU CD1 C 13 23.144 . . 2 . 142 1 A 3 LEU CD1 . 30032 1
30 . 1 1 3 3 LEU CD2 C 13 25.069 . . 2 . 143 1 A 3 LEU CD2 . 30032 1
31 . 1 1 3 3 LEU N N 15 119.128 . . 1 . 199 1 A 3 LEU N . 30032 1
32 . 1 1 4 4 TYR H H 1 8.584 0.009 . 1 . 17 1 A 4 TYR H . 30032 1
33 . 1 1 4 4 TYR HA H 1 4.334 0.011 . 1 . 16 1 A 4 TYR HA . 30032 1
34 . 1 1 4 4 TYR HB2 H 1 2.703 0.008 . 2 . 18 1 A 4 TYR HB2 . 30032 1
35 . 1 1 4 4 TYR HB3 H 1 2.598 0.007 . 2 . 19 1 A 4 TYR HB3 . 30032 1
36 . 1 1 4 4 TYR HD1 H 1 6.799 0.008 . 1 . 104 1 A 4 TYR HD1 . 30032 1
37 . 1 1 4 4 TYR HD2 H 1 6.799 0.008 . 1 . 104 1 A 4 TYR HD2 . 30032 1
38 . 1 1 4 4 TYR HE1 H 1 6.618 0.008 . 1 . 105 1 A 4 TYR HE1 . 30032 1
39 . 1 1 4 4 TYR HE2 H 1 6.618 0.008 . 1 . 105 1 A 4 TYR HE2 . 30032 1
40 . 1 1 4 4 TYR CB C 13 38.793 . . 1 . 154 1 A 4 TYR CB . 30032 1
41 . 1 1 4 4 TYR CD1 C 13 132.704 . . 1 . 172 1 A 4 TYR CD1 . 30032 1
42 . 1 1 4 4 TYR CD2 C 13 132.704 . . 1 . 172 1 A 4 TYR CD2 . 30032 1
43 . 1 1 4 4 TYR CE1 C 13 117.871 . . 1 . 173 1 A 4 TYR CE1 . 30032 1
44 . 1 1 4 4 TYR CE2 C 13 117.871 . . 1 . 173 1 A 4 TYR CE2 . 30032 1
45 . 1 1 5 5 ALA H H 1 8.477 0.003 . 1 . 13 1 A 5 ALA H . 30032 1
46 . 1 1 5 5 ALA HA H 1 4.989 0.004 . 1 . 14 1 A 5 ALA HA . 30032 1
47 . 1 1 5 5 ALA HB1 H 1 1.070 0.009 . 1 . 15 1 A 5 ALA HB1 . 30032 1
48 . 1 1 5 5 ALA HB2 H 1 1.070 0.009 . 1 . 15 1 A 5 ALA HB2 . 30032 1
49 . 1 1 5 5 ALA HB3 H 1 1.070 0.009 . 1 . 15 1 A 5 ALA HB3 . 30032 1
50 . 1 1 5 5 ALA N N 15 125.605 . . 1 . 197 1 A 5 ALA N . 30032 1
51 . 1 1 6 6 CYS H H 1 8.818 0.002 . 1 . 20 1 A 6 CYS H . 30032 1
52 . 1 1 6 6 CYS HA H 1 4.338 0.011 . 1 . 21 1 A 6 CYS HA . 30032 1
53 . 1 1 6 6 CYS HB2 H 1 3.198 0.007 . 2 . 22 1 A 6 CYS HB2 . 30032 1
54 . 1 1 6 6 CYS HB3 H 1 2.642 0.011 . 2 . 23 1 A 6 CYS HB3 . 30032 1
55 . 1 1 6 6 CYS CB C 13 29.561 0.069 . 1 . 183 1 A 6 CYS CB . 30032 1
56 . 1 1 6 6 CYS N N 15 123.747 . . 1 . 196 1 A 6 CYS N . 30032 1
57 . 1 1 7 7 ASP H H 1 9.029 0.001 . 1 . 262 1 A 7 ASP H . 30032 1
58 . 1 1 7 7 ASP HA H 1 4.356 0.011 . 1 . 263 1 A 7 ASP HA . 30032 1
59 . 1 1 7 7 ASP HB2 H 1 2.608 0.006 . 1 . 266 1 A 7 ASP HB2 . 30032 1
60 . 1 1 7 7 ASP HB3 H 1 2.608 0.006 . 1 . 264 1 A 7 ASP HB3 . 30032 1
61 . 1 1 7 7 ASP CB C 13 40.949 . . 1 . 273 1 A 7 ASP CB . 30032 1
62 . 1 1 7 7 ASP N N 15 130.789 . . 1 . 265 1 A 7 ASP N . 30032 1
63 . 1 1 8 8 SER HA H 1 3.617 0.003 . 1 . 120 1 A 8 SER HA . 30032 1
64 . 1 1 8 8 SER HB2 H 1 3.491 0.007 . 2 . 119 1 A 8 SER HB2 . 30032 1
65 . 1 1 8 8 SER HB3 H 1 3.400 0.008 . 2 . 121 1 A 8 SER HB3 . 30032 1
66 . 1 1 9 9 CYS H H 1 8.030 0.006 . 1 . 67 1 A 9 CYS H . 30032 1
67 . 1 1 9 9 CYS HA H 1 4.936 0.004 . 1 . 66 1 A 9 CYS HA . 30032 1
68 . 1 1 9 9 CYS HB2 H 1 3.232 0.012 . 2 . 68 1 A 9 CYS HB2 . 30032 1
69 . 1 1 9 9 CYS HB3 H 1 2.701 0.008 . 2 . 69 1 A 9 CYS HB3 . 30032 1
70 . 1 1 9 9 CYS CB C 13 32.276 0.017 . 1 . 182 1 A 9 CYS CB . 30032 1
71 . 1 1 10 10 GLY H H 1 7.928 0.004 . 1 . 7 1 A 10 GLY H . 30032 1
72 . 1 1 10 10 GLY HA2 H 1 4.061 0.011 . 2 . 6 1 A 10 GLY HA2 . 30032 1
73 . 1 1 10 10 GLY HA3 H 1 3.782 0.011 . 2 . 8 1 A 10 GLY HA3 . 30032 1
74 . 1 1 10 10 GLY CA C 13 46.046 0.131 . 1 . 128 1 A 10 GLY CA . 30032 1
75 . 1 1 10 10 GLY N N 15 111.529 . . 1 . 212 1 A 10 GLY N . 30032 1
76 . 1 1 11 11 ASP H H 1 8.197 0.005 . 1 . 54 1 A 11 ASP H . 30032 1
77 . 1 1 11 11 ASP HA H 1 4.189 0.008 . 1 . 55 1 A 11 ASP HA . 30032 1
78 . 1 1 11 11 ASP HB2 H 1 2.062 0.008 . 2 . 56 1 A 11 ASP HB2 . 30032 1
79 . 1 1 11 11 ASP HB3 H 1 1.901 0.01 . 2 . 57 1 A 11 ASP HB3 . 30032 1
80 . 1 1 11 11 ASP CA C 13 55.887 . . 1 . 129 1 A 11 ASP CA . 30032 1
81 . 1 1 11 11 ASP CB C 13 40.842 0.052 . 1 . 166 1 A 11 ASP CB . 30032 1
82 . 1 1 11 11 ASP N N 15 124.473 . . 1 . 195 1 A 11 ASP N . 30032 1
83 . 1 1 12 12 LYS H H 1 7.593 0.003 . 1 . 36 1 A 12 LYS H . 30032 1
84 . 1 1 12 12 LYS HA H 1 4.746 0.005 . 1 . 35 1 A 12 LYS HA . 30032 1
85 . 1 1 12 12 LYS HB2 H 1 1.431 0.012 . 2 . 188 1 A 12 LYS HB2 . 30032 1
86 . 1 1 12 12 LYS HB3 H 1 1.369 . . 2 . 190 1 A 12 LYS HB3 . 30032 1
87 . 1 1 12 12 LYS HG2 H 1 1.119 0.008 . 1 . 42 1 A 12 LYS HG2 . 30032 1
88 . 1 1 12 12 LYS HG3 H 1 1.119 0.008 . 1 . 41 1 A 12 LYS HG3 . 30032 1
89 . 1 1 12 12 LYS HD2 H 1 1.342 0.01 . 2 . 39 1 A 12 LYS HD2 . 30032 1
90 . 1 1 12 12 LYS HD3 H 1 1.378 0.051 . 2 . 40 1 A 12 LYS HD3 . 30032 1
91 . 1 1 12 12 LYS HE2 H 1 2.776 0.006 . 1 . 37 1 A 12 LYS HE2 . 30032 1
92 . 1 1 12 12 LYS HE3 H 1 2.776 0.006 . 1 . 38 1 A 12 LYS HE3 . 30032 1
93 . 1 1 12 12 LYS CB C 13 35.706 0.004 . 1 . 189 1 A 12 LYS CB . 30032 1
94 . 1 1 12 12 LYS CG C 13 24.976 . . 1 . 148 1 A 12 LYS CG . 30032 1
95 . 1 1 12 12 LYS CD C 13 29.054 0.001 . 1 . 191 1 A 12 LYS CD . 30032 1
96 . 1 1 12 12 LYS CE C 13 42.125 . . 1 . 152 1 A 12 LYS CE . 30032 1
97 . 1 1 12 12 LYS N N 15 117.086 . . 1 . 207 1 A 12 LYS N . 30032 1
98 . 1 1 13 13 PHE H H 1 8.540 0.005 . 1 . 24 1 A 13 PHE H . 30032 1
99 . 1 1 13 13 PHE HA H 1 4.496 0.007 . 1 . 25 1 A 13 PHE HA . 30032 1
100 . 1 1 13 13 PHE HB2 H 1 3.249 0.007 . 2 . 26 1 A 13 PHE HB2 . 30032 1
101 . 1 1 13 13 PHE HB3 H 1 2.534 0.004 . 2 . 27 1 A 13 PHE HB3 . 30032 1
102 . 1 1 13 13 PHE HD1 H 1 7.007 0.005 . 1 . 101 1 A 13 PHE HD1 . 30032 1
103 . 1 1 13 13 PHE HD2 H 1 7.007 0.005 . 1 . 101 1 A 13 PHE HD2 . 30032 1
104 . 1 1 13 13 PHE HE1 H 1 6.639 0.006 . 1 . 102 1 A 13 PHE HE1 . 30032 1
105 . 1 1 13 13 PHE HE2 H 1 6.639 0.006 . 1 . 102 1 A 13 PHE HE2 . 30032 1
106 . 1 1 13 13 PHE HZ H 1 6.228 0.009 . 1 . 103 1 A 13 PHE HZ . 30032 1
107 . 1 1 13 13 PHE CB C 13 43.526 . . 1 . 185 1 A 13 PHE CB . 30032 1
108 . 1 1 13 13 PHE CD1 C 13 131.945 . . 1 . 169 1 A 13 PHE CD1 . 30032 1
109 . 1 1 13 13 PHE CD2 C 13 131.945 . . 1 . 169 1 A 13 PHE CD2 . 30032 1
110 . 1 1 13 13 PHE CE1 C 13 130.681 . . 1 . 170 1 A 13 PHE CE1 . 30032 1
111 . 1 1 13 13 PHE CE2 C 13 130.681 . . 1 . 170 1 A 13 PHE CE2 . 30032 1
112 . 1 1 13 13 PHE CZ C 13 129.305 . . 1 . 171 1 A 13 PHE CZ . 30032 1
113 . 1 1 13 13 PHE N N 15 118.038 . . 1 . 202 1 A 13 PHE N . 30032 1
114 . 1 1 14 14 LEU H H 1 8.013 0.009 . 1 . 91 1 A 14 LEU H . 30032 1
115 . 1 1 14 14 LEU HA H 1 4.125 0.009 . 1 . 92 1 A 14 LEU HA . 30032 1
116 . 1 1 14 14 LEU HB2 H 1 2.012 0.003 . 2 . 94 1 A 14 LEU HB2 . 30032 1
117 . 1 1 14 14 LEU HB3 H 1 1.861 0.007 . 2 . 95 1 A 14 LEU HB3 . 30032 1
118 . 1 1 14 14 LEU HG H 1 2.258 0.005 . 1 . 93 1 A 14 LEU HG . 30032 1
119 . 1 1 14 14 LEU CA C 13 55.718 . . 1 . 122 1 A 14 LEU CA . 30032 1
120 . 1 1 14 14 LEU CB C 13 29.206 0.194 . 1 . 180 1 A 14 LEU CB . 30032 1
121 . 1 1 14 14 LEU CG C 13 18.506 . . 1 . 149 1 A 14 LEU CG . 30032 1
122 . 1 1 15 15 ASP H H 1 8.895 0.003 . 1 . 88 1 A 15 ASP H . 30032 1
123 . 1 1 15 15 ASP HA H 1 4.264 0.004 . 1 . 70 1 A 15 ASP HA . 30032 1
124 . 1 1 15 15 ASP HB2 H 1 3.003 0.009 . 2 . 89 1 A 15 ASP HB2 . 30032 1
125 . 1 1 15 15 ASP HB3 H 1 2.887 0.007 . 2 . 90 1 A 15 ASP HB3 . 30032 1
126 . 1 1 15 15 ASP CA C 13 56.098 . . 1 . 184 1 A 15 ASP CA . 30032 1
127 . 1 1 15 15 ASP N N 15 116.928 . . 1 . 203 1 A 15 ASP N . 30032 1
128 . 1 1 16 16 ALA H H 1 8.029 0.004 . 1 . 86 1 A 16 ALA H . 30032 1
129 . 1 1 16 16 ALA HA H 1 3.152 0.006 . 1 . 85 1 A 16 ALA HA . 30032 1
130 . 1 1 16 16 ALA HB1 H 1 0.994 0.005 . 1 . 87 1 A 16 ALA HB1 . 30032 1
131 . 1 1 16 16 ALA HB2 H 1 0.994 0.005 . 1 . 87 1 A 16 ALA HB2 . 30032 1
132 . 1 1 16 16 ALA HB3 H 1 0.994 0.005 . 1 . 87 1 A 16 ALA HB3 . 30032 1
133 . 1 1 16 16 ALA CA C 13 54.332 . . 1 . 134 1 A 16 ALA CA . 30032 1
134 . 1 1 16 16 ALA CB C 13 18.288 . . 1 . 145 1 A 16 ALA CB . 30032 1
135 . 1 1 17 17 ASN H H 1 8.354 0.001 . 1 . 97 1 A 17 ASN H . 30032 1
136 . 1 1 17 17 ASN HA H 1 4.240 0.009 . 1 . 96 1 A 17 ASN HA . 30032 1
137 . 1 1 17 17 ASN HB2 H 1 2.575 0.012 . 2 . 98 1 A 17 ASN HB2 . 30032 1
138 . 1 1 17 17 ASN HB3 H 1 2.634 0.008 . 2 . 99 1 A 17 ASN HB3 . 30032 1
139 . 1 1 17 17 ASN CB C 13 38.024 0.019 . 1 . 153 1 A 17 ASN CB . 30032 1
140 . 1 1 17 17 ASN N N 15 119.199 . . 1 . 200 1 A 17 ASN N . 30032 1
141 . 1 1 18 18 SER H H 1 8.603 0.005 . 1 . 9 1 A 18 SER H . 30032 1
142 . 1 1 18 18 SER HA H 1 3.917 0.005 . 1 . 10 1 A 18 SER HA . 30032 1
143 . 1 1 18 18 SER HB2 H 1 3.790 0.006 . 1 . 12 1 A 18 SER HB2 . 30032 1
144 . 1 1 18 18 SER HB3 H 1 3.790 0.006 . 1 . 11 1 A 18 SER HB3 . 30032 1
145 . 1 1 18 18 SER CA C 13 61.878 . . 1 . 158 1 A 18 SER CA . 30032 1
146 . 1 1 18 18 SER N N 15 118.422 . . 1 . 201 1 A 18 SER N . 30032 1
147 . 1 1 19 19 LEU H H 1 6.794 0.004 . 1 . 71 1 A 19 LEU H . 30032 1
148 . 1 1 19 19 LEU HA H 1 3.069 0.007 . 1 . 80 1 A 19 LEU HA . 30032 1
149 . 1 1 19 19 LEU HB2 H 1 1.448 0.009 . 2 . 79 1 A 19 LEU HB2 . 30032 1
150 . 1 1 19 19 LEU HB3 H 1 1.626 0.005 . 2 . 81 1 A 19 LEU HB3 . 30032 1
151 . 1 1 19 19 LEU HG H 1 1.105 0.003 . 1 . 82 1 A 19 LEU HG . 30032 1
152 . 1 1 19 19 LEU HD11 H 1 0.734 0.003 . 2 . 83 1 A 19 LEU HD11 . 30032 1
153 . 1 1 19 19 LEU HD12 H 1 0.734 0.003 . 2 . 83 1 A 19 LEU HD12 . 30032 1
154 . 1 1 19 19 LEU HD13 H 1 0.734 0.003 . 2 . 83 1 A 19 LEU HD13 . 30032 1
155 . 1 1 19 19 LEU HD21 H 1 0.859 0.004 . 2 . 84 1 A 19 LEU HD21 . 30032 1
156 . 1 1 19 19 LEU HD22 H 1 0.859 0.004 . 2 . 84 1 A 19 LEU HD22 . 30032 1
157 . 1 1 19 19 LEU HD23 H 1 0.859 0.004 . 2 . 84 1 A 19 LEU HD23 . 30032 1
158 . 1 1 19 19 LEU CA C 13 57.822 . . 1 . 133 1 A 19 LEU CA . 30032 1
159 . 1 1 19 19 LEU N N 15 122.785 . . 1 . 194 1 A 19 LEU N . 30032 1
160 . 1 1 20 20 ALA H H 1 7.735 0.006 . 1 . 33 1 A 20 ALA H . 30032 1
161 . 1 1 20 20 ALA HA H 1 3.911 0.005 . 1 . 32 1 A 20 ALA HA . 30032 1
162 . 1 1 20 20 ALA HB1 H 1 1.297 0.006 . 1 . 34 1 A 20 ALA HB1 . 30032 1
163 . 1 1 20 20 ALA HB2 H 1 1.297 0.006 . 1 . 34 1 A 20 ALA HB2 . 30032 1
164 . 1 1 20 20 ALA HB3 H 1 1.297 0.006 . 1 . 34 1 A 20 ALA HB3 . 30032 1
165 . 1 1 20 20 ALA CA C 13 54.952 . . 1 . 157 1 A 20 ALA CA . 30032 1
166 . 1 1 20 20 ALA CB C 13 17.838 . . 1 . 150 1 A 20 ALA CB . 30032 1
167 . 1 1 20 20 ALA N N 15 120.848 . . 1 . 198 1 A 20 ALA N . 30032 1
168 . 1 1 21 21 GLN H H 1 7.634 0.004 . 1 . 45 1 A 21 GLN H . 30032 1
169 . 1 1 21 21 GLN HA H 1 3.796 0.006 . 1 . 46 1 A 21 GLN HA . 30032 1
170 . 1 1 21 21 GLN HB2 H 1 2.252 0.006 . 1 . 49 1 A 21 GLN HB2 . 30032 1
171 . 1 1 21 21 GLN HB3 H 1 2.252 0.006 . 1 . 50 1 A 21 GLN HB3 . 30032 1
172 . 1 1 21 21 GLN HG2 H 1 1.895 0.006 . 2 . 51 1 A 21 GLN HG2 . 30032 1
173 . 1 1 21 21 GLN HG3 H 1 1.857 0.003 . 2 . 52 1 A 21 GLN HG3 . 30032 1
174 . 1 1 21 21 GLN HE21 H 1 7.611 0.003 . 1 . 256 1 A 21 GLN HE21 . 30032 1
175 . 1 1 21 21 GLN HE22 H 1 6.788 0.003 . 1 . 257 1 A 21 GLN HE22 . 30032 1
176 . 1 1 21 21 GLN CA C 13 58.007 . . 1 . 131 1 A 21 GLN CA . 30032 1
177 . 1 1 21 21 GLN CB C 13 31.363 . . 1 . 161 1 A 21 GLN CB . 30032 1
178 . 1 1 21 21 GLN N N 15 115.159 . . 1 . 209 1 A 21 GLN N . 30032 1
179 . 1 1 21 21 GLN NE2 N 15 113.881 0.022 . 1 . 258 1 A 21 GLN NE2 . 30032 1
180 . 1 1 22 22 HIS H H 1 7.293 0.004 . 1 . 29 1 A 22 HIS H . 30032 1
181 . 1 1 22 22 HIS HA H 1 4.035 0.009 . 1 . 28 1 A 22 HIS HA . 30032 1
182 . 1 1 22 22 HIS HB2 H 1 2.918 0.01 . 2 . 30 1 A 22 HIS HB2 . 30032 1
183 . 1 1 22 22 HIS HB3 H 1 2.600 0.009 . 2 . 31 1 A 22 HIS HB3 . 30032 1
184 . 1 1 22 22 HIS HD2 H 1 6.798 0.006 . 1 . 58 1 A 22 HIS HD2 . 30032 1
185 . 1 1 22 22 HIS HE1 H 1 7.901 0.006 . 1 . 193 1 A 22 HIS HE1 . 30032 1
186 . 1 1 22 22 HIS CA C 13 59.487 . . 1 . 159 1 A 22 HIS CA . 30032 1
187 . 1 1 22 22 HIS CB C 13 28.542 0.005 . 1 . 186 1 A 22 HIS CB . 30032 1
188 . 1 1 22 22 HIS CD2 C 13 126.951 . . 1 . 168 1 A 22 HIS CD2 . 30032 1
189 . 1 1 22 22 HIS N N 15 119.329 . . 1 . 204 1 A 22 HIS N . 30032 1
190 . 1 1 23 23 VAL H H 1 8.246 0.004 . 1 . 2 1 A 23 VAL H . 30032 1
191 . 1 1 23 23 VAL HA H 1 3.467 0.007 . 1 . 1 1 A 23 VAL HA . 30032 1
192 . 1 1 23 23 VAL HB H 1 2.225 0.006 . 1 . 3 1 A 23 VAL HB . 30032 1
193 . 1 1 23 23 VAL HG11 H 1 1.168 0.005 . 2 . 4 1 A 23 VAL HG11 . 30032 1
194 . 1 1 23 23 VAL HG12 H 1 1.168 0.005 . 2 . 4 1 A 23 VAL HG12 . 30032 1
195 . 1 1 23 23 VAL HG13 H 1 1.168 0.005 . 2 . 4 1 A 23 VAL HG13 . 30032 1
196 . 1 1 23 23 VAL HG21 H 1 1.061 0.008 . 2 . 5 1 A 23 VAL HG21 . 30032 1
197 . 1 1 23 23 VAL HG22 H 1 1.061 0.008 . 2 . 5 1 A 23 VAL HG22 . 30032 1
198 . 1 1 23 23 VAL HG23 H 1 1.061 0.008 . 2 . 5 1 A 23 VAL HG23 . 30032 1
199 . 1 1 23 23 VAL CA C 13 65.937 . . 1 . 132 1 A 23 VAL CA . 30032 1
200 . 1 1 23 23 VAL CG1 C 13 21.886 . . 1 . 147 1 A 23 VAL CG1 . 30032 1
201 . 1 1 23 23 VAL N N 15 113.369 . . 1 . 211 1 A 23 VAL N . 30032 1
202 . 1 1 24 24 ARG H H 1 6.829 0.006 . 1 . 53 1 A 24 ARG H . 30032 1
203 . 1 1 24 24 ARG HA H 1 3.931 0.007 . 1 . 72 1 A 24 ARG HA . 30032 1
204 . 1 1 24 24 ARG HB2 H 1 1.710 0.017 . 2 . 75 1 A 24 ARG HB2 . 30032 1
205 . 1 1 24 24 ARG HB3 H 1 1.638 0.011 . 2 . 76 1 A 24 ARG HB3 . 30032 1
206 . 1 1 24 24 ARG HG2 H 1 1.498 0.006 . 1 . 78 1 A 24 ARG HG2 . 30032 1
207 . 1 1 24 24 ARG HG3 H 1 1.498 0.006 . 1 . 77 1 A 24 ARG HG3 . 30032 1
208 . 1 1 24 24 ARG HD2 H 1 3.057 0.006 . 1 . 73 1 A 24 ARG HD2 . 30032 1
209 . 1 1 24 24 ARG HD3 H 1 3.057 0.006 . 1 . 74 1 A 24 ARG HD3 . 30032 1
210 . 1 1 24 24 ARG CA C 13 58.532 . . 1 . 156 1 A 24 ARG CA . 30032 1
211 . 1 1 24 24 ARG CB C 13 30.043 0.045 . 1 . 155 1 A 24 ARG CB . 30032 1
212 . 1 1 24 24 ARG CG C 13 27.312 . . 1 . 174 1 A 24 ARG CG . 30032 1
213 . 1 1 24 24 ARG CD C 13 43.396 . . 1 . 151 1 A 24 ARG CD . 30032 1
214 . 1 1 24 24 ARG N N 15 118.587 . . 1 . 205 1 A 24 ARG N . 30032 1
215 . 1 1 25 25 ILE H H 1 7.688 0.005 . 1 . 61 1 A 25 ILE H . 30032 1
216 . 1 1 25 25 ILE HA H 1 3.799 0.011 . 1 . 62 1 A 25 ILE HA . 30032 1
217 . 1 1 25 25 ILE HB H 1 1.562 0.006 . 1 . 63 1 A 25 ILE HB . 30032 1
218 . 1 1 25 25 ILE HG12 H 1 0.768 0.004 . 2 . 139 1 A 25 ILE HG12 . 30032 1
219 . 1 1 25 25 ILE HG13 H 1 0.621 0.008 . 2 . 140 1 A 25 ILE HG13 . 30032 1
220 . 1 1 25 25 ILE HG21 H 1 0.445 0.008 . 1 . 65 1 A 25 ILE HG21 . 30032 1
221 . 1 1 25 25 ILE HG22 H 1 0.445 0.008 . 1 . 65 1 A 25 ILE HG22 . 30032 1
222 . 1 1 25 25 ILE HG23 H 1 0.445 0.008 . 1 . 65 1 A 25 ILE HG23 . 30032 1
223 . 1 1 25 25 ILE HD11 H 1 0.534 0.008 . 1 . 64 1 A 25 ILE HD11 . 30032 1
224 . 1 1 25 25 ILE HD12 H 1 0.534 0.008 . 1 . 64 1 A 25 ILE HD12 . 30032 1
225 . 1 1 25 25 ILE HD13 H 1 0.534 0.008 . 1 . 64 1 A 25 ILE HD13 . 30032 1
226 . 1 1 25 25 ILE CA C 13 62.615 . . 1 . 130 1 A 25 ILE CA . 30032 1
227 . 1 1 25 25 ILE CB C 13 37.691 . . 1 . 162 1 A 25 ILE CB . 30032 1
228 . 1 1 25 25 ILE CG1 C 13 24.701 . . 1 . 141 1 A 25 ILE CG1 . 30032 1
229 . 1 1 25 25 ILE CG2 C 13 16.422 . . 1 . 276 1 A 25 ILE CG2 . 30032 1
230 . 1 1 25 25 ILE CD1 C 13 14.075 . . 1 . 137 1 A 25 ILE CD1 . 30032 1
231 . 1 1 25 25 ILE N N 15 116.323 . . 1 . 208 1 A 25 ILE N . 30032 1
232 . 1 1 26 26 HIS H H 1 7.164 0.003 . 1 . 59 1 A 26 HIS H . 30032 1
233 . 1 1 26 26 HIS HB2 H 1 3.145 0.012 . 2 . 44 1 A 26 HIS HB2 . 30032 1
234 . 1 1 26 26 HIS HB3 H 1 3.123 0.007 . 2 . 60 1 A 26 HIS HB3 . 30032 1
235 . 1 1 26 26 HIS HD2 H 1 6.638 0.007 . 1 . 43 1 A 26 HIS HD2 . 30032 1
236 . 1 1 26 26 HIS HE1 H 1 7.872 0.008 . 1 . 100 1 A 26 HIS HE1 . 30032 1
237 . 1 1 26 26 HIS CB C 13 28.338 . . 1 . 187 1 A 26 HIS CB . 30032 1
238 . 1 1 26 26 HIS CD2 C 13 127.417 . . 1 . 167 1 A 26 HIS CD2 . 30032 1
239 . 1 1 26 26 HIS N N 15 117.565 . . 1 . 206 1 A 26 HIS N . 30032 1
240 . 1 1 27 27 THR H H 1 7.625 0.002 . 1 . 124 1 A 27 THR H . 30032 1
241 . 1 1 27 27 THR HA H 1 4.152 0.007 . 1 . 123 1 A 27 THR HA . 30032 1
242 . 1 1 27 27 THR HB H 1 4.127 0.006 . 1 . 126 1 A 27 THR HB . 30032 1
243 . 1 1 27 27 THR HG21 H 1 1.083 0.005 . 1 . 125 1 A 27 THR HG21 . 30032 1
244 . 1 1 27 27 THR HG22 H 1 1.083 0.005 . 1 . 125 1 A 27 THR HG22 . 30032 1
245 . 1 1 27 27 THR HG23 H 1 1.083 0.005 . 1 . 125 1 A 27 THR HG23 . 30032 1
246 . 1 1 27 27 THR CA C 13 62.452 . . 1 . 160 1 A 27 THR CA . 30032 1
247 . 1 1 27 27 THR CB C 13 69.619 . . 1 . 127 1 A 27 THR CB . 30032 1
248 . 1 1 27 27 THR CG2 C 13 21.492 . . 1 . 146 1 A 27 THR CG2 . 30032 1
249 . 1 1 27 27 THR N N 15 113.024 . . 1 . 210 1 A 27 THR N . 30032 1
250 . 1 1 28 28 ALA H H 1 8.014 0.003 . 1 . 181 1 A 28 ALA H . 30032 1
251 . 1 1 28 28 ALA HA H 1 4.158 0.009 . 1 . 176 1 A 28 ALA HA . 30032 1
252 . 1 1 28 28 ALA HB1 H 1 1.272 0.007 . 1 . 177 1 A 28 ALA HB1 . 30032 1
253 . 1 1 28 28 ALA HB2 H 1 1.272 0.007 . 1 . 177 1 A 28 ALA HB2 . 30032 1
254 . 1 1 28 28 ALA HB3 H 1 1.272 0.007 . 1 . 177 1 A 28 ALA HB3 . 30032 1
255 . 1 1 28 28 ALA CA C 13 52.854 . . 1 . 179 1 A 28 ALA CA . 30032 1
256 . 1 1 28 28 ALA CB C 13 18.695 . . 1 . 178 1 A 28 ALA CB . 30032 1
257 . 1 1 29 29 GLN H H 1 7.311 0.007 . 1 . 267 1 A 29 GLN H . 30032 1
258 . 1 1 29 29 GLN HA H 1 4.352 0.012 . 1 . 268 1 A 29 GLN HA . 30032 1
259 . 1 1 29 29 GLN HB2 H 1 2.566 0.003 . 1 . 272 1 A 29 GLN HB2 . 30032 1
260 . 1 1 29 29 GLN HB3 H 1 2.565 0.003 . 1 . 271 1 A 29 GLN HB3 . 30032 1
261 . 1 1 29 29 GLN HG2 H 1 2.643 0.012 . 1 . 269 1 A 29 GLN HG2 . 30032 1
262 . 1 1 29 29 GLN HG3 H 1 2.643 0.012 . 1 . 270 1 A 29 GLN HG3 . 30032 1
263 . 1 1 29 29 GLN CB C 13 43.649 . . 1 . 278 1 A 29 GLN CB . 30032 1
264 . 1 1 29 29 GLN CG C 13 43.555 . . 1 . 277 1 A 29 GLN CG . 30032 1
265 . 1 1 29 29 GLN N N 15 113.145 . . 1 . 280 1 A 29 GLN N . 30032 1
stop_
save_