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 51646
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'NaKd18 F92A'
_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-13C HMQC' . . . 51646 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 . . 51646 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 5 5 TRP H H 1 7.623 . . 1 . . 171 . . 19 TRP H . 51646 1
2 . 1 . 1 5 5 TRP N N 15 117.242 . . 1 . . 172 . . 19 TRP N . 51646 1
3 . 1 . 1 6 6 LYS H H 1 7.547 . . 1 . . 173 . . 20 LYS H . 51646 1
4 . 1 . 1 6 6 LYS N N 15 117.477 . . 1 . . 174 . . 20 LYS N . 51646 1
5 . 1 . 1 7 7 ASP H H 1 7.605 . . 1 . . 175 . . 21 ASP H . 51646 1
6 . 1 . 1 7 7 ASP N N 15 120.702 . . 1 . . 176 . . 21 ASP N . 51646 1
7 . 1 . 1 8 8 LYS H H 1 8.638 . . 1 . . 199 . . 22 LYS H . 51646 1
8 . 1 . 1 8 8 LYS N N 15 127.514 . . 1 . . 200 . . 22 LYS N . 51646 1
9 . 1 . 1 10 10 PHE H H 1 8.112 . . 1 . . 181 . . 24 PHE H . 51646 1
10 . 1 . 1 10 10 PHE N N 15 119.836 . . 1 . . 182 . . 24 PHE N . 51646 1
11 . 1 . 1 11 11 GLN H H 1 8.242 . . 1 . . 165 . . 25 GLN H . 51646 1
12 . 1 . 1 11 11 GLN N N 15 117.750 . . 1 . . 166 . . 25 GLN N . 51646 1
13 . 1 . 1 12 12 VAL H H 1 8.072 . . 1 . . 159 . . 26 VAL H . 51646 1
14 . 1 . 1 12 12 VAL HG11 H 1 0.916 0.001 . 1 . . 50 . . 26 VAL HG11 . 51646 1
15 . 1 . 1 12 12 VAL HG12 H 1 0.916 0.001 . 1 . . 50 . . 26 VAL HG12 . 51646 1
16 . 1 . 1 12 12 VAL HG13 H 1 0.916 0.001 . 1 . . 50 . . 26 VAL HG13 . 51646 1
17 . 1 . 1 12 12 VAL HG21 H 1 1.093 0.002 . 1 . . 72 . . 26 VAL HG21 . 51646 1
18 . 1 . 1 12 12 VAL HG22 H 1 1.093 0.002 . 1 . . 72 . . 26 VAL HG22 . 51646 1
19 . 1 . 1 12 12 VAL HG23 H 1 1.093 0.002 . 1 . . 72 . . 26 VAL HG23 . 51646 1
20 . 1 . 1 12 12 VAL CG1 C 13 21.488 0.019 . 1 . . 51 . . 26 VAL CG1 . 51646 1
21 . 1 . 1 12 12 VAL CG2 C 13 23.226 0.037 . 1 . . 73 . . 26 VAL CG2 . 51646 1
22 . 1 . 1 12 12 VAL N N 15 117.875 . . 1 . . 160 . . 26 VAL N . 51646 1
23 . 1 . 1 13 13 LEU H H 1 8.105 . . 1 . . 179 . . 27 LEU H . 51646 1
24 . 1 . 1 13 13 LEU HD11 H 1 0.880 0.001 . 1 . . 96 . . 27 LEU HD11 . 51646 1
25 . 1 . 1 13 13 LEU HD12 H 1 0.880 0.001 . 1 . . 96 . . 27 LEU HD12 . 51646 1
26 . 1 . 1 13 13 LEU HD13 H 1 0.880 0.001 . 1 . . 96 . . 27 LEU HD13 . 51646 1
27 . 1 . 1 13 13 LEU HD21 H 1 0.954 0.001 . 1 . . 82 . . 27 LEU HD21 . 51646 1
28 . 1 . 1 13 13 LEU HD22 H 1 0.954 0.001 . 1 . . 82 . . 27 LEU HD22 . 51646 1
29 . 1 . 1 13 13 LEU HD23 H 1 0.954 0.001 . 1 . . 82 . . 27 LEU HD23 . 51646 1
30 . 1 . 1 13 13 LEU CD1 C 13 25.322 0.024 . 1 . . 97 . . 27 LEU CD1 . 51646 1
31 . 1 . 1 13 13 LEU CD2 C 13 22.853 0.031 . 1 . . 83 . . 27 LEU CD2 . 51646 1
32 . 1 . 1 13 13 LEU N N 15 119.529 . . 1 . . 180 . . 27 LEU N . 51646 1
33 . 1 . 1 14 14 PHE H H 1 8.840 . . 1 . . 147 . . 28 PHE H . 51646 1
34 . 1 . 1 14 14 PHE N N 15 122.736 . . 1 . . 148 . . 28 PHE N . 51646 1
35 . 1 . 1 15 15 VAL HG11 H 1 0.834 0.002 . 1 . . 88 . . 29 VAL HG11 . 51646 1
36 . 1 . 1 15 15 VAL HG12 H 1 0.834 0.002 . 1 . . 88 . . 29 VAL HG12 . 51646 1
37 . 1 . 1 15 15 VAL HG13 H 1 0.834 0.002 . 1 . . 88 . . 29 VAL HG13 . 51646 1
38 . 1 . 1 15 15 VAL HG21 H 1 1.090 0.001 . 1 . . 48 . . 29 VAL HG21 . 51646 1
39 . 1 . 1 15 15 VAL HG22 H 1 1.090 0.001 . 1 . . 48 . . 29 VAL HG22 . 51646 1
40 . 1 . 1 15 15 VAL HG23 H 1 1.090 0.001 . 1 . . 48 . . 29 VAL HG23 . 51646 1
41 . 1 . 1 15 15 VAL CG1 C 13 21.299 0.035 . 1 . . 89 . . 29 VAL CG1 . 51646 1
42 . 1 . 1 15 15 VAL CG2 C 13 23.308 0.038 . 1 . . 49 . . 29 VAL CG2 . 51646 1
43 . 1 . 1 16 16 LEU H H 1 8.674 . . 1 . . 123 . . 30 LEU H . 51646 1
44 . 1 . 1 16 16 LEU HD11 H 1 0.792 0.001 . 1 . . 68 . . 30 LEU HD11 . 51646 1
45 . 1 . 1 16 16 LEU HD12 H 1 0.792 0.001 . 1 . . 68 . . 30 LEU HD12 . 51646 1
46 . 1 . 1 16 16 LEU HD13 H 1 0.792 0.001 . 1 . . 68 . . 30 LEU HD13 . 51646 1
47 . 1 . 1 16 16 LEU HD21 H 1 0.758 0.001 . 1 . . 56 . . 30 LEU HD21 . 51646 1
48 . 1 . 1 16 16 LEU HD22 H 1 0.758 0.001 . 1 . . 56 . . 30 LEU HD22 . 51646 1
49 . 1 . 1 16 16 LEU HD23 H 1 0.758 0.001 . 1 . . 56 . . 30 LEU HD23 . 51646 1
50 . 1 . 1 16 16 LEU CD1 C 13 25.948 0.021 . 1 . . 69 . . 30 LEU CD1 . 51646 1
51 . 1 . 1 16 16 LEU CD2 C 13 22.363 0.022 . 1 . . 57 . . 30 LEU CD2 . 51646 1
52 . 1 . 1 16 16 LEU N N 15 117.725 . . 1 . . 124 . . 30 LEU N . 51646 1
53 . 1 . 1 18 18 ILE H H 1 7.903 . . 1 . . 113 . . 32 ILE H . 51646 1
54 . 1 . 1 18 18 ILE HD11 H 1 0.215 0.001 . 1 . . 58 . . 32 ILE HD11 . 51646 1
55 . 1 . 1 18 18 ILE HD12 H 1 0.215 0.001 . 1 . . 58 . . 32 ILE HD12 . 51646 1
56 . 1 . 1 18 18 ILE HD13 H 1 0.215 0.001 . 1 . . 58 . . 32 ILE HD13 . 51646 1
57 . 1 . 1 18 18 ILE CD1 C 13 10.643 0.025 . 1 . . 59 . . 32 ILE CD1 . 51646 1
58 . 1 . 1 18 18 ILE N N 15 121.497 . . 1 . . 114 . . 32 ILE N . 51646 1
59 . 1 . 1 19 19 LEU HD11 H 1 0.780 0.001 . 1 . . 74 . . 33 LEU HD11 . 51646 1
60 . 1 . 1 19 19 LEU HD12 H 1 0.780 0.001 . 1 . . 74 . . 33 LEU HD12 . 51646 1
61 . 1 . 1 19 19 LEU HD13 H 1 0.780 0.001 . 1 . . 74 . . 33 LEU HD13 . 51646 1
62 . 1 . 1 19 19 LEU HD21 H 1 0.758 0.001 . 1 . . 78 . . 33 LEU HD21 . 51646 1
63 . 1 . 1 19 19 LEU HD22 H 1 0.758 0.001 . 1 . . 78 . . 33 LEU HD22 . 51646 1
64 . 1 . 1 19 19 LEU HD23 H 1 0.758 0.001 . 1 . . 78 . . 33 LEU HD23 . 51646 1
65 . 1 . 1 19 19 LEU CD1 C 13 25.025 0.032 . 1 . . 75 . . 33 LEU CD1 . 51646 1
66 . 1 . 1 19 19 LEU CD2 C 13 22.939 0.014 . 1 . . 79 . . 33 LEU CD2 . 51646 1
67 . 1 . 1 21 21 LEU H H 1 8.557 . . 1 . . 117 . . 35 LEU H . 51646 1
68 . 1 . 1 21 21 LEU HD11 H 1 0.866 0.001 . 1 . . 84 . . 35 LEU HD11 . 51646 1
69 . 1 . 1 21 21 LEU HD12 H 1 0.866 0.001 . 1 . . 84 . . 35 LEU HD12 . 51646 1
70 . 1 . 1 21 21 LEU HD13 H 1 0.866 0.001 . 1 . . 84 . . 35 LEU HD13 . 51646 1
71 . 1 . 1 21 21 LEU HD21 H 1 0.749 0.001 . 1 . . 66 . . 35 LEU HD21 . 51646 1
72 . 1 . 1 21 21 LEU HD22 H 1 0.749 0.001 . 1 . . 66 . . 35 LEU HD22 . 51646 1
73 . 1 . 1 21 21 LEU HD23 H 1 0.749 0.001 . 1 . . 66 . . 35 LEU HD23 . 51646 1
74 . 1 . 1 21 21 LEU CD1 C 13 22.531 0.029 . 1 . . 85 . . 35 LEU CD1 . 51646 1
75 . 1 . 1 21 21 LEU CD2 C 13 25.711 0.03 . 1 . . 67 . . 35 LEU CD2 . 51646 1
76 . 1 . 1 21 21 LEU N N 15 126.140 . . 1 . . 118 . . 35 LEU N . 51646 1
77 . 1 . 1 22 22 ILE H H 1 9.015 . . 1 . . 119 . . 36 ILE H . 51646 1
78 . 1 . 1 22 22 ILE HD11 H 1 0.736 0.001 . 1 . . 38 . . 36 ILE HD11 . 51646 1
79 . 1 . 1 22 22 ILE HD12 H 1 0.736 0.001 . 1 . . 38 . . 36 ILE HD12 . 51646 1
80 . 1 . 1 22 22 ILE HD13 H 1 0.736 0.001 . 1 . . 38 . . 36 ILE HD13 . 51646 1
81 . 1 . 1 22 22 ILE CD1 C 13 13.425 0.019 . 1 . . 39 . . 36 ILE CD1 . 51646 1
82 . 1 . 1 22 22 ILE N N 15 123.110 . . 1 . . 120 . . 36 ILE N . 51646 1
83 . 1 . 1 23 23 SER H H 1 8.106 . . 1 . . 161 . . 37 SER H . 51646 1
84 . 1 . 1 23 23 SER N N 15 116.729 . . 1 . . 162 . . 37 SER N . 51646 1
85 . 1 . 1 26 26 ILE HD11 H 1 0.775 0.0 . 1 . . 32 . . 40 ILE HD11 . 51646 1
86 . 1 . 1 26 26 ILE HD12 H 1 0.775 0.0 . 1 . . 32 . . 40 ILE HD12 . 51646 1
87 . 1 . 1 26 26 ILE HD13 H 1 0.775 0.0 . 1 . . 32 . . 40 ILE HD13 . 51646 1
88 . 1 . 1 26 26 ILE CD1 C 13 13.799 0.003 . 1 . . 33 . . 40 ILE CD1 . 51646 1
89 . 1 . 1 28 28 TYR H H 1 9.004 . . 1 . . 139 . . 42 TYR H . 51646 1
90 . 1 . 1 28 28 TYR N N 15 116.335 . . 1 . . 140 . . 42 TYR N . 51646 1
91 . 1 . 1 29 29 SER H H 1 7.681 . . 1 . . 185 . . 43 SER H . 51646 1
92 . 1 . 1 29 29 SER N N 15 114.469 . . 1 . . 186 . . 43 SER N . 51646 1
93 . 1 . 1 31 31 VAL HG11 H 1 0.198 0.001 . 1 . . 10 . . 45 VAL HG11 . 51646 1
94 . 1 . 1 31 31 VAL HG12 H 1 0.198 0.001 . 1 . . 10 . . 45 VAL HG12 . 51646 1
95 . 1 . 1 31 31 VAL HG13 H 1 0.198 0.001 . 1 . . 10 . . 45 VAL HG13 . 51646 1
96 . 1 . 1 31 31 VAL HG21 H 1 0.686 0.0 . 1 . . 8 . . 45 VAL HG21 . 51646 1
97 . 1 . 1 31 31 VAL HG22 H 1 0.686 0.0 . 1 . . 8 . . 45 VAL HG22 . 51646 1
98 . 1 . 1 31 31 VAL HG23 H 1 0.686 0.0 . 1 . . 8 . . 45 VAL HG23 . 51646 1
99 . 1 . 1 31 31 VAL CG1 C 13 22.312 0.006 . 1 . . 11 . . 45 VAL CG1 . 51646 1
100 . 1 . 1 31 31 VAL CG2 C 13 21.080 0.001 . 1 . . 9 . . 45 VAL CG2 . 51646 1
101 . 1 . 1 32 32 GLU H H 1 6.341 0.0 . 1 . . 191 . . 46 GLU H . 51646 1
102 . 1 . 1 32 32 GLU N N 15 112.503 . . 1 . . 192 . . 46 GLU N . 51646 1
103 . 1 . 1 33 33 GLY H H 1 6.684 . . 1 . . 127 . . 47 GLY H . 51646 1
104 . 1 . 1 33 33 GLY N N 15 106.195 . . 1 . . 128 . . 47 GLY N . 51646 1
105 . 1 . 1 34 34 LEU H H 1 7.153 . . 1 . . 107 . . 48 LEU H . 51646 1
106 . 1 . 1 34 34 LEU HD11 H 1 0.075 0.001 . 1 . . 16 . . 48 LEU HD11 . 51646 1
107 . 1 . 1 34 34 LEU HD12 H 1 0.075 0.001 . 1 . . 16 . . 48 LEU HD12 . 51646 1
108 . 1 . 1 34 34 LEU HD13 H 1 0.075 0.001 . 1 . . 16 . . 48 LEU HD13 . 51646 1
109 . 1 . 1 34 34 LEU HD21 H 1 0.400 0.001 . 1 . . 18 . . 48 LEU HD21 . 51646 1
110 . 1 . 1 34 34 LEU HD22 H 1 0.400 0.001 . 1 . . 18 . . 48 LEU HD22 . 51646 1
111 . 1 . 1 34 34 LEU HD23 H 1 0.400 0.001 . 1 . . 18 . . 48 LEU HD23 . 51646 1
112 . 1 . 1 34 34 LEU CD1 C 13 24.394 0.001 . 1 . . 17 . . 48 LEU CD1 . 51646 1
113 . 1 . 1 34 34 LEU CD2 C 13 21.515 0.004 . 1 . . 19 . . 48 LEU CD2 . 51646 1
114 . 1 . 1 34 34 LEU N N 15 119.112 . . 1 . . 108 . . 48 LEU N . 51646 1
115 . 1 . 1 35 35 ARG H H 1 9.029 . . 1 . . 145 . . 49 ARG H . 51646 1
116 . 1 . 1 35 35 ARG N N 15 121.975 . . 1 . . 146 . . 49 ARG N . 51646 1
117 . 1 . 1 37 37 ILE H H 1 8.617 . . 1 . . 125 . . 51 ILE H . 51646 1
118 . 1 . 1 37 37 ILE HD11 H 1 0.967 0.002 . 1 . . 44 . . 51 ILE HD11 . 51646 1
119 . 1 . 1 37 37 ILE HD12 H 1 0.967 0.002 . 1 . . 44 . . 51 ILE HD12 . 51646 1
120 . 1 . 1 37 37 ILE HD13 H 1 0.967 0.002 . 1 . . 44 . . 51 ILE HD13 . 51646 1
121 . 1 . 1 37 37 ILE CD1 C 13 13.765 0.024 . 1 . . 45 . . 51 ILE CD1 . 51646 1
122 . 1 . 1 37 37 ILE N N 15 114.746 . . 1 . . 126 . . 51 ILE N . 51646 1
123 . 1 . 1 38 38 ASP H H 1 6.733 . . 1 . . 187 . . 52 ASP H . 51646 1
124 . 1 . 1 38 38 ASP N N 15 123.537 . . 1 . . 188 . . 52 ASP N . 51646 1
125 . 1 . 1 39 39 ALA H H 1 8.418 . . 1 . . 195 . . 53 ALA H . 51646 1
126 . 1 . 1 39 39 ALA N N 15 124.863 . . 1 . . 196 . . 53 ALA N . 51646 1
127 . 1 . 1 40 40 LEU H H 1 8.723 . . 1 . . 121 . . 54 LEU H . 51646 1
128 . 1 . 1 40 40 LEU HD11 H 1 0.917 0.002 . 1 . . 62 . . 54 LEU HD11 . 51646 1
129 . 1 . 1 40 40 LEU HD12 H 1 0.917 0.002 . 1 . . 62 . . 54 LEU HD12 . 51646 1
130 . 1 . 1 40 40 LEU HD13 H 1 0.917 0.002 . 1 . . 62 . . 54 LEU HD13 . 51646 1
131 . 1 . 1 40 40 LEU HD21 H 1 0.878 0.001 . 1 . . 20 . . 54 LEU HD21 . 51646 1
132 . 1 . 1 40 40 LEU HD22 H 1 0.878 0.001 . 1 . . 20 . . 54 LEU HD22 . 51646 1
133 . 1 . 1 40 40 LEU HD23 H 1 0.878 0.001 . 1 . . 20 . . 54 LEU HD23 . 51646 1
134 . 1 . 1 40 40 LEU CD1 C 13 22.569 0.026 . 1 . . 63 . . 54 LEU CD1 . 51646 1
135 . 1 . 1 40 40 LEU CD2 C 13 26.387 0.01 . 1 . . 21 . . 54 LEU CD2 . 51646 1
136 . 1 . 1 40 40 LEU N N 15 123.709 . . 1 . . 122 . . 54 LEU N . 51646 1
137 . 1 . 1 41 41 TYR H H 1 8.520 . . 1 . . 157 . . 55 TYR H . 51646 1
138 . 1 . 1 41 41 TYR N N 15 120.581 . . 1 . . 158 . . 55 TYR N . 51646 1
139 . 1 . 1 44 44 VAL HG11 H 1 0.747 0.001 . 1 . . 46 . . 58 VAL HG11 . 51646 1
140 . 1 . 1 44 44 VAL HG12 H 1 0.747 0.001 . 1 . . 46 . . 58 VAL HG12 . 51646 1
141 . 1 . 1 44 44 VAL HG13 H 1 0.747 0.001 . 1 . . 46 . . 58 VAL HG13 . 51646 1
142 . 1 . 1 44 44 VAL HG21 H 1 1.179 0.003 . 1 . . 14 . . 58 VAL HG21 . 51646 1
143 . 1 . 1 44 44 VAL HG22 H 1 1.179 0.003 . 1 . . 14 . . 58 VAL HG22 . 51646 1
144 . 1 . 1 44 44 VAL HG23 H 1 1.179 0.003 . 1 . . 14 . . 58 VAL HG23 . 51646 1
145 . 1 . 1 44 44 VAL CG1 C 13 21.082 0.028 . 1 . . 47 . . 58 VAL CG1 . 51646 1
146 . 1 . 1 44 44 VAL CG2 C 13 23.915 0.025 . 1 . . 15 . . 58 VAL CG2 . 51646 1
147 . 1 . 1 45 45 VAL HG11 H 1 0.349 0.002 . 1 . . 12 . . 59 VAL HG11 . 51646 1
148 . 1 . 1 45 45 VAL HG12 H 1 0.349 0.002 . 1 . . 12 . . 59 VAL HG12 . 51646 1
149 . 1 . 1 45 45 VAL HG13 H 1 0.349 0.002 . 1 . . 12 . . 59 VAL HG13 . 51646 1
150 . 1 . 1 45 45 VAL HG21 H 1 0.761 0.001 . 1 . . 7 . . 59 VAL HG21 . 51646 1
151 . 1 . 1 45 45 VAL HG22 H 1 0.761 0.001 . 1 . . 7 . . 59 VAL HG22 . 51646 1
152 . 1 . 1 45 45 VAL HG23 H 1 0.761 0.001 . 1 . . 7 . . 59 VAL HG23 . 51646 1
153 . 1 . 1 45 45 VAL CG1 C 13 20.259 0.022 . 1 . . 13 . . 59 VAL CG1 . 51646 1
154 . 1 . 1 45 45 VAL CG2 C 13 18.786 0.014 . 1 . . 98 . . 59 VAL CG2 . 51646 1
155 . 1 . 1 47 47 LEU HD11 H 1 0.401 0.001 . 1 . . 80 . . 61 LEU HD11 . 51646 1
156 . 1 . 1 47 47 LEU HD12 H 1 0.401 0.001 . 1 . . 80 . . 61 LEU HD12 . 51646 1
157 . 1 . 1 47 47 LEU HD13 H 1 0.401 0.001 . 1 . . 80 . . 61 LEU HD13 . 51646 1
158 . 1 . 1 47 47 LEU HD21 H 1 0.180 0.001 . 1 . . 86 . . 61 LEU HD21 . 51646 1
159 . 1 . 1 47 47 LEU HD22 H 1 0.180 0.001 . 1 . . 86 . . 61 LEU HD22 . 51646 1
160 . 1 . 1 47 47 LEU HD23 H 1 0.180 0.001 . 1 . . 86 . . 61 LEU HD23 . 51646 1
161 . 1 . 1 47 47 LEU CD1 C 13 25.848 0.043 . 1 . . 81 . . 61 LEU CD1 . 51646 1
162 . 1 . 1 47 47 LEU CD2 C 13 22.406 0.068 . 1 . . 87 . . 61 LEU CD2 . 51646 1
163 . 1 . 1 50 50 VAL H H 1 7.420 . . 1 . . 111 . . 64 VAL H . 51646 1
164 . 1 . 1 50 50 VAL HG11 H 1 1.027 0.002 . 1 . . 60 . . 64 VAL HG11 . 51646 1
165 . 1 . 1 50 50 VAL HG12 H 1 1.027 0.002 . 1 . . 60 . . 64 VAL HG12 . 51646 1
166 . 1 . 1 50 50 VAL HG13 H 1 1.027 0.002 . 1 . . 60 . . 64 VAL HG13 . 51646 1
167 . 1 . 1 50 50 VAL HG21 H 1 0.950 0.001 . 1 . . 1 . . 64 VAL HG21 . 51646 1
168 . 1 . 1 50 50 VAL HG22 H 1 0.950 0.001 . 1 . . 1 . . 64 VAL HG22 . 51646 1
169 . 1 . 1 50 50 VAL HG23 H 1 0.950 0.001 . 1 . . 1 . . 64 VAL HG23 . 51646 1
170 . 1 . 1 50 50 VAL CG1 C 13 22.302 0.017 . 1 . . 61 . . 64 VAL CG1 . 51646 1
171 . 1 . 1 50 50 VAL CG2 C 13 22.077 0.022 . 1 . . 2 . . 64 VAL CG2 . 51646 1
172 . 1 . 1 50 50 VAL N N 15 125.144 . . 1 . . 112 . . 64 VAL N . 51646 1
173 . 1 . 1 51 51 GLY H H 1 7.459 . . 1 . . 129 . . 65 GLY H . 51646 1
174 . 1 . 1 51 51 GLY N N 15 102.152 . . 1 . . 130 . . 65 GLY N . 51646 1
175 . 1 . 1 53 53 GLY H H 1 8.733 . . 1 . . 137 . . 67 GLY H . 51646 1
176 . 1 . 1 53 53 GLY N N 15 112.633 . . 1 . . 138 . . 67 GLY N . 51646 1
177 . 1 . 1 54 54 ASN H H 1 8.793 . . 1 . . 155 . . 68 ASN H . 51646 1
178 . 1 . 1 54 54 ASN N N 15 117.676 . . 1 . . 156 . . 68 ASN N . 51646 1
179 . 1 . 1 56 56 SER H H 1 6.472 . . 1 . . 189 . . 70 SER H . 51646 1
180 . 1 . 1 56 56 SER N N 15 118.197 . . 1 . . 190 . . 70 SER N . 51646 1
181 . 1 . 1 58 58 GLN H H 1 10.208 . . 1 . . 143 . . 72 GLN H . 51646 1
182 . 1 . 1 58 58 GLN N N 15 121.654 . . 1 . . 144 . . 72 GLN N . 51646 1
183 . 1 . 1 59 59 THR H H 1 9.579 . . 1 . . 141 . . 73 THR H . 51646 1
184 . 1 . 1 59 59 THR N N 15 115.828 . . 1 . . 142 . . 73 THR N . 51646 1
185 . 1 . 1 60 60 ASP H H 1 9.068 . . 1 . . 201 . . 74 ASP H . 51646 1
186 . 1 . 1 60 60 ASP N N 15 125.692 . . 1 . . 202 . . 74 ASP N . 51646 1
187 . 1 . 1 61 61 PHE H H 1 8.877 . . 1 . . 151 . . 75 PHE H . 51646 1
188 . 1 . 1 61 61 PHE N N 15 119.360 . . 1 . . 152 . . 75 PHE N . 51646 1
189 . 1 . 1 62 62 GLY H H 1 8.983 . . 1 . . 135 . . 76 GLY H . 51646 1
190 . 1 . 1 62 62 GLY N N 15 108.656 . . 1 . . 136 . . 76 GLY N . 51646 1
191 . 1 . 1 63 63 LYS H H 1 8.570 . . 1 . . 197 . . 77 LYS H . 51646 1
192 . 1 . 1 63 63 LYS N N 15 126.979 . . 1 . . 198 . . 77 LYS N . 51646 1
193 . 1 . 1 64 64 ILE HD11 H 1 0.865 0.002 . 1 . . 40 . . 78 ILE HD11 . 51646 1
194 . 1 . 1 64 64 ILE HD12 H 1 0.865 0.002 . 1 . . 40 . . 78 ILE HD12 . 51646 1
195 . 1 . 1 64 64 ILE HD13 H 1 0.865 0.002 . 1 . . 40 . . 78 ILE HD13 . 51646 1
196 . 1 . 1 64 64 ILE CD1 C 13 12.101 0.028 . 1 . . 41 . . 78 ILE CD1 . 51646 1
197 . 1 . 1 65 65 PHE H H 1 9.022 . . 1 . . 153 . . 79 PHE H . 51646 1
198 . 1 . 1 65 65 PHE N N 15 119.047 . . 1 . . 154 . . 79 PHE N . 51646 1
199 . 1 . 1 67 67 ILE H H 1 7.701 . . 1 . . 115 . . 81 ILE H . 51646 1
200 . 1 . 1 67 67 ILE HD11 H 1 0.937 0.001 . 1 . . 42 . . 81 ILE HD11 . 51646 1
201 . 1 . 1 67 67 ILE HD12 H 1 0.937 0.001 . 1 . . 42 . . 81 ILE HD12 . 51646 1
202 . 1 . 1 67 67 ILE HD13 H 1 0.937 0.001 . 1 . . 42 . . 81 ILE HD13 . 51646 1
203 . 1 . 1 67 67 ILE CD1 C 13 13.718 0.018 . 1 . . 43 . . 81 ILE CD1 . 51646 1
204 . 1 . 1 67 67 ILE N N 15 119.541 . . 1 . . 116 . . 81 ILE N . 51646 1
205 . 1 . 1 68 68 LEU H H 1 7.169 . . 1 . . 105 . . 82 LEU H . 51646 1
206 . 1 . 1 68 68 LEU HD11 H 1 0.835 0.001 . 1 . . 24 . . 82 LEU HD11 . 51646 1
207 . 1 . 1 68 68 LEU HD12 H 1 0.835 0.001 . 1 . . 24 . . 82 LEU HD12 . 51646 1
208 . 1 . 1 68 68 LEU HD13 H 1 0.835 0.001 . 1 . . 24 . . 82 LEU HD13 . 51646 1
209 . 1 . 1 68 68 LEU HD21 H 1 0.807 0.001 . 1 . . 76 . . 82 LEU HD21 . 51646 1
210 . 1 . 1 68 68 LEU HD22 H 1 0.807 0.001 . 1 . . 76 . . 82 LEU HD22 . 51646 1
211 . 1 . 1 68 68 LEU HD23 H 1 0.807 0.001 . 1 . . 76 . . 82 LEU HD23 . 51646 1
212 . 1 . 1 68 68 LEU CD1 C 13 25.133 0.015 . 1 . . 25 . . 82 LEU CD1 . 51646 1
213 . 1 . 1 68 68 LEU CD2 C 13 23.240 0.017 . 1 . . 77 . . 82 LEU CD2 . 51646 1
214 . 1 . 1 68 68 LEU N N 15 117.546 . . 1 . . 106 . . 82 LEU N . 51646 1
215 . 1 . 1 69 69 TYR H H 1 8.886 . . 1 . . 149 . . 83 TYR H . 51646 1
216 . 1 . 1 69 69 TYR N N 15 120.361 . . 1 . . 150 . . 83 TYR N . 51646 1
217 . 1 . 1 70 70 ILE H H 1 8.240 . . 1 . . 163 . . 84 ILE H . 51646 1
218 . 1 . 1 70 70 ILE HD11 H 1 0.585 0.001 . 1 . . 30 . . 84 ILE HD11 . 51646 1
219 . 1 . 1 70 70 ILE HD12 H 1 0.585 0.001 . 1 . . 30 . . 84 ILE HD12 . 51646 1
220 . 1 . 1 70 70 ILE HD13 H 1 0.585 0.001 . 1 . . 30 . . 84 ILE HD13 . 51646 1
221 . 1 . 1 70 70 ILE CD1 C 13 15.135 0.019 . 1 . . 31 . . 84 ILE CD1 . 51646 1
222 . 1 . 1 70 70 ILE N N 15 116.997 . . 1 . . 164 . . 84 ILE N . 51646 1
223 . 1 . 1 72 72 ILE HD11 H 1 0.765 0.001 . 1 . . 36 . . 86 ILE HD11 . 51646 1
224 . 1 . 1 72 72 ILE HD12 H 1 0.765 0.001 . 1 . . 36 . . 86 ILE HD12 . 51646 1
225 . 1 . 1 72 72 ILE HD13 H 1 0.765 0.001 . 1 . . 36 . . 86 ILE HD13 . 51646 1
226 . 1 . 1 72 72 ILE CD1 C 13 12.989 0.023 . 1 . . 37 . . 86 ILE CD1 . 51646 1
227 . 1 . 1 73 73 GLY H H 1 8.463 . . 1 . . 133 . . 87 GLY H . 51646 1
228 . 1 . 1 73 73 GLY N N 15 107.717 . . 1 . . 134 . . 87 GLY N . 51646 1
229 . 1 . 1 74 74 ILE HD11 H 1 0.609 0.001 . 1 . . 28 . . 88 ILE HD11 . 51646 1
230 . 1 . 1 74 74 ILE HD12 H 1 0.609 0.001 . 1 . . 28 . . 88 ILE HD12 . 51646 1
231 . 1 . 1 74 74 ILE HD13 H 1 0.609 0.001 . 1 . . 28 . . 88 ILE HD13 . 51646 1
232 . 1 . 1 74 74 ILE CD1 C 13 14.838 0.019 . 1 . . 29 . . 88 ILE CD1 . 51646 1
233 . 1 . 1 76 76 LEU H H 1 7.071 . . 1 . . 109 . . 90 LEU H . 51646 1
234 . 1 . 1 76 76 LEU HD11 H 1 0.739 0.001 . 2 . . 64 . . 90 LEU HD11 . 51646 1
235 . 1 . 1 76 76 LEU HD12 H 1 0.739 0.001 . 2 . . 64 . . 90 LEU HD12 . 51646 1
236 . 1 . 1 76 76 LEU HD13 H 1 0.739 0.001 . 2 . . 64 . . 90 LEU HD13 . 51646 1
237 . 1 . 1 76 76 LEU HD21 H 1 0.816 0.001 . 2 . . 22 . . 90 LEU HD21 . 51646 1
238 . 1 . 1 76 76 LEU HD22 H 1 0.816 0.001 . 2 . . 22 . . 90 LEU HD22 . 51646 1
239 . 1 . 1 76 76 LEU HD23 H 1 0.816 0.001 . 2 . . 22 . . 90 LEU HD23 . 51646 1
240 . 1 . 1 76 76 LEU CD1 C 13 24.403 0.056 . 2 . . 65 . . 90 LEU CD1 . 51646 1
241 . 1 . 1 76 76 LEU CD2 C 13 25.364 0.016 . 2 . . 23 . . 90 LEU CD2 . 51646 1
242 . 1 . 1 76 76 LEU N N 15 122.075 . . 1 . . 110 . . 90 LEU N . 51646 1
243 . 1 . 1 77 77 VAL H H 1 7.971 . . 1 . . 167 . . 91 VAL H . 51646 1
244 . 1 . 1 77 77 VAL HG11 H 1 0.901 0.002 . 1 . . 5 . . 91 VAL HG11 . 51646 1
245 . 1 . 1 77 77 VAL HG12 H 1 0.901 0.002 . 1 . . 5 . . 91 VAL HG12 . 51646 1
246 . 1 . 1 77 77 VAL HG13 H 1 0.901 0.002 . 1 . . 5 . . 91 VAL HG13 . 51646 1
247 . 1 . 1 77 77 VAL HG21 H 1 1.021 0.001 . 1 . . 3 . . 91 VAL HG21 . 51646 1
248 . 1 . 1 77 77 VAL HG22 H 1 1.021 0.001 . 1 . . 3 . . 91 VAL HG22 . 51646 1
249 . 1 . 1 77 77 VAL HG23 H 1 1.021 0.001 . 1 . . 3 . . 91 VAL HG23 . 51646 1
250 . 1 . 1 77 77 VAL CG1 C 13 22.106 0.09 . 1 . . 6 . . 91 VAL CG1 . 51646 1
251 . 1 . 1 77 77 VAL CG2 C 13 23.973 0.036 . 1 . . 4 . . 91 VAL CG2 . 51646 1
252 . 1 . 1 77 77 VAL N N 15 118.734 . . 1 . . 168 . . 91 VAL N . 51646 1
253 . 1 . 1 79 79 GLY H H 1 7.889 . . 1 . . 131 . . 93 GLY H . 51646 1
254 . 1 . 1 79 79 GLY N N 15 105.942 . . 1 . . 132 . . 93 GLY N . 51646 1
255 . 1 . 1 80 80 PHE H H 1 8.387 . . 1 . . 193 . . 94 PHE H . 51646 1
256 . 1 . 1 80 80 PHE N N 15 123.769 . . 1 . . 194 . . 94 PHE N . 51646 1
257 . 1 . 1 81 81 ILE HD11 H 1 0.681 0.002 . 1 . . 26 . . 95 ILE HD11 . 51646 1
258 . 1 . 1 81 81 ILE HD12 H 1 0.681 0.002 . 1 . . 26 . . 95 ILE HD12 . 51646 1
259 . 1 . 1 81 81 ILE HD13 H 1 0.681 0.002 . 1 . . 26 . . 95 ILE HD13 . 51646 1
260 . 1 . 1 81 81 ILE CD1 C 13 13.093 0.02 . 1 . . 27 . . 95 ILE CD1 . 51646 1
261 . 1 . 1 83 83 LYS H H 1 7.809 . . 1 . . 169 . . 97 LYS H . 51646 1
262 . 1 . 1 83 83 LYS N N 15 117.989 . . 1 . . 170 . . 97 LYS N . 51646 1
263 . 1 . 1 84 84 LEU HD11 H 1 0.727 0.002 . 1 . . 90 . . 98 LEU HD11 . 51646 1
264 . 1 . 1 84 84 LEU HD12 H 1 0.727 0.002 . 1 . . 90 . . 98 LEU HD12 . 51646 1
265 . 1 . 1 84 84 LEU HD13 H 1 0.727 0.002 . 1 . . 90 . . 98 LEU HD13 . 51646 1
266 . 1 . 1 84 84 LEU HD21 H 1 0.720 0.003 . 1 . . 92 . . 98 LEU HD21 . 51646 1
267 . 1 . 1 84 84 LEU HD22 H 1 0.720 0.003 . 1 . . 92 . . 98 LEU HD22 . 51646 1
268 . 1 . 1 84 84 LEU HD23 H 1 0.720 0.003 . 1 . . 92 . . 98 LEU HD23 . 51646 1
269 . 1 . 1 84 84 LEU CD1 C 13 24.556 0.011 . 1 . . 91 . . 98 LEU CD1 . 51646 1
270 . 1 . 1 84 84 LEU CD2 C 13 24.604 0.036 . 1 . . 93 . . 98 LEU CD2 . 51646 1
271 . 1 . 1 86 86 VAL HG11 H 1 0.837 0.0 . 2 . . 99 . . 100 VAL HG11 . 51646 1
272 . 1 . 1 86 86 VAL HG12 H 1 0.837 0.0 . 2 . . 99 . . 100 VAL HG12 . 51646 1
273 . 1 . 1 86 86 VAL HG13 H 1 0.837 0.0 . 2 . . 99 . . 100 VAL HG13 . 51646 1
274 . 1 . 1 86 86 VAL CG1 C 13 20.922 . . 2 . . 100 . . 100 VAL CG1 . 51646 1
275 . 1 . 1 88 88 VAL H H 1 7.425 . . 1 . . 177 . . 102 VAL H . 51646 1
276 . 1 . 1 88 88 VAL N N 15 117.707 . . 1 . . 178 . . 102 VAL N . 51646 1
277 . 1 . 1 90 90 LEU HD11 H 1 0.867 0.001 . 2 . . 94 . . 104 LEU HD11 . 51646 1
278 . 1 . 1 90 90 LEU HD12 H 1 0.867 0.001 . 2 . . 94 . . 104 LEU HD12 . 51646 1
279 . 1 . 1 90 90 LEU HD13 H 1 0.867 0.001 . 2 . . 94 . . 104 LEU HD13 . 51646 1
280 . 1 . 1 90 90 LEU HD21 H 1 0.827 0.001 . 2 . . 70 . . 104 LEU HD21 . 51646 1
281 . 1 . 1 90 90 LEU HD22 H 1 0.827 0.001 . 2 . . 70 . . 104 LEU HD22 . 51646 1
282 . 1 . 1 90 90 LEU HD23 H 1 0.827 0.001 . 2 . . 70 . . 104 LEU HD23 . 51646 1
283 . 1 . 1 90 90 LEU CD1 C 13 25.057 0.028 . 2 . . 95 . . 104 LEU CD1 . 51646 1
284 . 1 . 1 90 90 LEU CD2 C 13 23.652 0.018 . 2 . . 71 . . 104 LEU CD2 . 51646 1
285 . 1 . 1 93 93 ILE HD11 H 1 0.819 0.001 . 1 . . 34 . . 107 ILE HD11 . 51646 1
286 . 1 . 1 93 93 ILE HD12 H 1 0.819 0.001 . 1 . . 34 . . 107 ILE HD12 . 51646 1
287 . 1 . 1 93 93 ILE HD13 H 1 0.819 0.001 . 1 . . 34 . . 107 ILE HD13 . 51646 1
288 . 1 . 1 93 93 ILE CD1 C 13 13.463 0.02 . 1 . . 35 . . 107 ILE CD1 . 51646 1
289 . 1 . 1 94 94 LEU HD11 H 1 0.831 0.001 . 2 . . 54 . . 108 LEU HD11 . 51646 1
290 . 1 . 1 94 94 LEU HD12 H 1 0.831 0.001 . 2 . . 54 . . 108 LEU HD12 . 51646 1
291 . 1 . 1 94 94 LEU HD13 H 1 0.831 0.001 . 2 . . 54 . . 108 LEU HD13 . 51646 1
292 . 1 . 1 94 94 LEU HD21 H 1 0.867 0.001 . 2 . . 52 . . 108 LEU HD21 . 51646 1
293 . 1 . 1 94 94 LEU HD22 H 1 0.867 0.001 . 2 . . 52 . . 108 LEU HD22 . 51646 1
294 . 1 . 1 94 94 LEU HD23 H 1 0.867 0.001 . 2 . . 52 . . 108 LEU HD23 . 51646 1
295 . 1 . 1 94 94 LEU CD1 C 13 23.014 0.028 . 2 . . 55 . . 108 LEU CD1 . 51646 1
296 . 1 . 1 94 94 LEU CD2 C 13 25.347 0.017 . 2 . . 53 . . 108 LEU CD2 . 51646 1
297 . 1 . 1 95 95 SER H H 1 7.800 . . 1 . . 183 . . 109 SER H . 51646 1
298 . 1 . 1 95 95 SER N N 15 114.604 . . 1 . . 184 . . 109 SER N . 51646 1
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