Content for NMR-STAR saveframe, "assigned_chem_shift_list_1_dup"
save_assigned_chem_shift_list_1_dup
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1_dup
_Assigned_chem_shift_list.Entry_ID 19836
_Assigned_chem_shift_list.ID 2
_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 0.02
_Assigned_chem_shift_list.Chem_shift_13C_err 0.2
_Assigned_chem_shift_list.Chem_shift_15N_err 0.2
_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' . . . 19836 2
2 '2D 1H-13C HSQC' . . . 19836 2
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
4 $OLIVIA . . 19836 2
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 6 6 THR HA H 1 4.386 0.02 . 1 . . . . 1005 Thr HA . 19836 2
2 . 1 1 6 6 THR HB H 1 4.216 0.02 . 1 . . . . 1005 Thr HB . 19836 2
3 . 1 1 6 6 THR HG21 H 1 1.265 0.02 . 1 . . . . 1005 Thr HG2 . 19836 2
4 . 1 1 6 6 THR HG22 H 1 1.265 0.02 . 1 . . . . 1005 Thr HG2 . 19836 2
5 . 1 1 6 6 THR HG23 H 1 1.265 0.02 . 1 . . . . 1005 Thr HG2 . 19836 2
6 . 1 1 6 6 THR CA C 13 62.332 0.20 . 1 . . . . 1005 Thr CA . 19836 2
7 . 1 1 6 6 THR CB C 13 69.920 0.20 . 1 . . . . 1005 Thr CB . 19836 2
8 . 1 1 6 6 THR CG2 C 13 21.742 0.20 . 1 . . . . 1005 Thr CG2 . 19836 2
9 . 1 1 7 7 ILE HA H 1 4.173 0.02 . 1 . . . . 1006 Ile HA . 19836 2
10 . 1 1 7 7 ILE HB H 1 1.874 0.02 . 1 . . . . 1006 Ile HB . 19836 2
11 . 1 1 7 7 ILE HG12 H 1 1.495 0.02 . 2 . . . . 1006 Ile HG12 . 19836 2
12 . 1 1 7 7 ILE HG13 H 1 1.204 0.02 . 2 . . . . 1006 Ile HG13 . 19836 2
13 . 1 1 7 7 ILE HG21 H 1 0.920 0.02 . 1 . . . . 1006 Ile HG2 . 19836 2
14 . 1 1 7 7 ILE HG22 H 1 0.920 0.02 . 1 . . . . 1006 Ile HG2 . 19836 2
15 . 1 1 7 7 ILE HG23 H 1 0.920 0.02 . 1 . . . . 1006 Ile HG2 . 19836 2
16 . 1 1 7 7 ILE HD11 H 1 0.839 0.02 . 1 . . . . 1006 Ile HD1 . 19836 2
17 . 1 1 7 7 ILE HD12 H 1 0.839 0.02 . 1 . . . . 1006 Ile HD1 . 19836 2
18 . 1 1 7 7 ILE HD13 H 1 0.839 0.02 . 1 . . . . 1006 Ile HD1 . 19836 2
19 . 1 1 7 7 ILE CA C 13 61.448 0.20 . 1 . . . . 1006 Ile CA . 19836 2
20 . 1 1 7 7 ILE CB C 13 38.841 0.20 . 1 . . . . 1006 Ile CB . 19836 2
21 . 1 1 7 7 ILE CG1 C 13 27.490 0.20 . 1 . . . . 1006 Ile CG1 . 19836 2
22 . 1 1 7 7 ILE CG2 C 13 17.610 0.20 . 1 . . . . 1006 Ile CG2 . 19836 2
23 . 1 1 7 7 ILE CD1 C 13 12.918 0.20 . 1 . . . . 1006 Ile CD1 . 19836 2
24 . 1 1 8 8 ALA HA H 1 4.326 0.02 . 1 . . . . 1007 Ala HA . 19836 2
25 . 1 1 8 8 ALA HB1 H 1 1.395 0.02 . 1 . . . . 1007 Ala HB . 19836 2
26 . 1 1 8 8 ALA HB2 H 1 1.395 0.02 . 1 . . . . 1007 Ala HB . 19836 2
27 . 1 1 8 8 ALA HB3 H 1 1.395 0.02 . 1 . . . . 1007 Ala HB . 19836 2
28 . 1 1 8 8 ALA CA C 13 52.657 0.20 . 1 . . . . 1007 Ala CA . 19836 2
29 . 1 1 8 8 ALA CB C 13 19.287 0.20 . 1 . . . . 1007 Ala CB . 19836 2
30 . 1 1 9 9 LEU HA H 1 4.406 0.02 . 1 . . . . 1008 Leu HA . 19836 2
31 . 1 1 9 9 LEU HB2 H 1 1.655 0.02 . 1 . . . . 1008 Leu HB . 19836 2
32 . 1 1 9 9 LEU HB3 H 1 1.655 0.02 . 1 . . . . 1008 Leu HB . 19836 2
33 . 1 1 9 9 LEU HG H 1 1.647 0.02 . 1 . . . . 1008 Leu HG . 19836 2
34 . 1 1 9 9 LEU HD11 H 1 0.936 0.02 . 2 . . . . 1008 Leu HD1 . 19836 2
35 . 1 1 9 9 LEU HD12 H 1 0.936 0.02 . 2 . . . . 1008 Leu HD1 . 19836 2
36 . 1 1 9 9 LEU HD13 H 1 0.936 0.02 . 2 . . . . 1008 Leu HD1 . 19836 2
37 . 1 1 9 9 LEU HD21 H 1 0.883 0.02 . 2 . . . . 1008 Leu HD2 . 19836 2
38 . 1 1 9 9 LEU HD22 H 1 0.883 0.02 . 2 . . . . 1008 Leu HD2 . 19836 2
39 . 1 1 9 9 LEU HD23 H 1 0.883 0.02 . 2 . . . . 1008 Leu HD2 . 19836 2
40 . 1 1 9 9 LEU CA C 13 55.143 0.20 . 1 . . . . 1008 Leu CA . 19836 2
41 . 1 1 9 9 LEU CB C 13 42.407 0.20 . 1 . . . . 1008 Leu CB . 19836 2
42 . 1 1 9 9 LEU CG C 13 27.017 0.20 . 1 . . . . 1008 Leu CG . 19836 2
43 . 1 1 9 9 LEU CD1 C 13 25.526 0.20 . 2 . . . . 1008 Leu CD1 . 19836 2
44 . 1 1 9 9 LEU CD2 C 13 23.524 0.20 . 2 . . . . 1008 Leu CD2 . 19836 2
45 . 1 1 14 14 LEU HD11 H 1 0.893 0.02 . 2 . . . . 1013 Leu HD1 . 19836 2
46 . 1 1 14 14 LEU HD12 H 1 0.893 0.02 . 2 . . . . 1013 Leu HD1 . 19836 2
47 . 1 1 14 14 LEU HD13 H 1 0.893 0.02 . 2 . . . . 1013 Leu HD1 . 19836 2
48 . 1 1 14 14 LEU HD21 H 1 0.853 0.02 . 2 . . . . 1013 Leu HD2 . 19836 2
49 . 1 1 14 14 LEU HD22 H 1 0.853 0.02 . 2 . . . . 1013 Leu HD2 . 19836 2
50 . 1 1 14 14 LEU HD23 H 1 0.853 0.02 . 2 . . . . 1013 Leu HD2 . 19836 2
51 . 1 1 14 14 LEU CD1 C 13 25.126 0.20 . 2 . . . . 1013 Leu CD1 . 19836 2
52 . 1 1 14 14 LEU CD2 C 13 23.795 0.20 . 2 . . . . 1013 Leu CD2 . 19836 2
53 . 1 1 15 15 LEU HG H 1 1.518 0.02 . 1 . . . . 1014 Leu HG . 19836 2
54 . 1 1 15 15 LEU HD11 H 1 0.865 0.02 . 2 . . . . 1014 Leu HD1 . 19836 2
55 . 1 1 15 15 LEU HD12 H 1 0.865 0.02 . 2 . . . . 1014 Leu HD1 . 19836 2
56 . 1 1 15 15 LEU HD13 H 1 0.865 0.02 . 2 . . . . 1014 Leu HD1 . 19836 2
57 . 1 1 15 15 LEU HD21 H 1 0.862 0.02 . 2 . . . . 1014 Leu HD2 . 19836 2
58 . 1 1 15 15 LEU HD22 H 1 0.862 0.02 . 2 . . . . 1014 Leu HD2 . 19836 2
59 . 1 1 15 15 LEU HD23 H 1 0.862 0.02 . 2 . . . . 1014 Leu HD2 . 19836 2
60 . 1 1 15 15 LEU CG C 13 27.053 0.20 . 1 . . . . 1014 Leu CG . 19836 2
61 . 1 1 15 15 LEU CD1 C 13 25.252 0.20 . 2 . . . . 1014 Leu CD1 . 19836 2
62 . 1 1 15 15 LEU CD2 C 13 23.865 0.20 . 2 . . . . 1014 Leu CD2 . 19836 2
63 . 1 1 16 16 PHE HD1 H 1 7.226 0.02 . 1 . . . . 1015 Phe HD . 19836 2
64 . 1 1 16 16 PHE HD2 H 1 7.226 0.02 . 1 . . . . 1015 Phe HD . 19836 2
65 . 1 1 16 16 PHE CD1 C 13 131.785 0.20 . 1 . . . . 1015 Phe CD . 19836 2
66 . 1 1 16 16 PHE CD2 C 13 131.785 0.20 . 1 . . . . 1015 Phe CD . 19836 2
67 . 1 1 17 17 THR HG21 H 1 1.217 0.02 . 1 . . . . 1016 Thr HG2 . 19836 2
68 . 1 1 17 17 THR HG22 H 1 1.217 0.02 . 1 . . . . 1016 Thr HG2 . 19836 2
69 . 1 1 17 17 THR HG23 H 1 1.217 0.02 . 1 . . . . 1016 Thr HG2 . 19836 2
70 . 1 1 17 17 THR CG2 C 13 21.503 0.20 . 1 . . . . 1016 Thr CG2 . 19836 2
71 . 1 1 20 20 THR H H 1 8.319 0.02 . 1 . . . . 1019 Thr H . 19836 2
72 . 1 1 20 20 THR N N 15 119.375 0.20 . 1 . . . . 1019 Thr N . 19836 2
73 . 1 1 21 21 LYS H H 1 8.427 0.02 . 1 . . . . 1020 Lys H . 19836 2
74 . 1 1 21 21 LYS N N 15 124.950 0.20 . 1 . . . . 1020 Lys N . 19836 2
75 . 1 1 22 22 ALA H H 1 8.433 0.02 . 1 . . . . 1021 Ala H . 19836 2
76 . 1 1 22 22 ALA N N 15 126.333 0.20 . 1 . . . . 1021 Ala N . 19836 2
77 . 1 1 23 23 ARG H H 1 8.498 0.02 . 1 . . . . 1022 Arg H . 19836 2
78 . 1 1 23 23 ARG N N 15 121.479 0.20 . 1 . . . . 1022 Arg N . 19836 2
79 . 1 1 24 24 THR H H 1 8.320 0.02 . 1 . . . . 1023 Thr H . 19836 2
80 . 1 1 24 24 THR N N 15 118.673 0.20 . 1 . . . . 1023 Thr N . 19836 2
81 . 1 1 26 26 GLU H H 1 8.564 0.02 . 1 . . . . 1025 Glu H . 19836 2
82 . 1 1 26 26 GLU N N 15 121.089 0.20 . 1 . . . . 1025 Glu N . 19836 2
83 . 1 1 27 27 MET H H 1 8.406 0.02 . 1 . . . . 1026 Met H . 19836 2
84 . 1 1 27 27 MET N N 15 123.057 0.20 . 1 . . . . 1026 Met N . 19836 2
85 . 1 1 29 29 VAL H H 1 8.393 0.02 . 1 . . . . 1028 Val H . 19836 2
86 . 1 1 29 29 VAL N N 15 121.589 0.20 . 1 . . . . 1028 Val N . 19836 2
87 . 1 1 30 30 LEU H H 1 8.450 0.02 . 1 . . . . 1029 Leu H . 19836 2
88 . 1 1 30 30 LEU N N 15 127.039 0.20 . 1 . . . . 1029 Leu N . 19836 2
89 . 1 1 31 31 GLU H H 1 8.508 0.02 . 1 . . . . 1030 Glu H . 19836 2
90 . 1 1 31 31 GLU N N 15 122.499 0.20 . 1 . . . . 1030 Glu N . 19836 2
91 . 1 1 32 32 ASN H H 1 8.581 0.02 . 1 . . . . 1031 Asn H . 19836 2
92 . 1 1 32 32 ASN N N 15 120.507 0.20 . 1 . . . . 1031 Asn N . 19836 2
93 . 1 1 33 33 ARG H H 1 8.455 0.02 . 1 . . . . 1032 Arg H . 19836 2
94 . 1 1 33 33 ARG N N 15 122.393 0.20 . 1 . . . . 1032 Arg N . 19836 2
95 . 1 1 34 34 ALA H H 1 8.361 0.02 . 1 . . . . 1033 Ala H . 19836 2
96 . 1 1 34 34 ALA N N 15 124.978 0.20 . 1 . . . . 1033 Ala N . 19836 2
97 . 1 1 35 35 ALA H H 1 8.312 0.02 . 1 . . . . 1034 Ala H . 19836 2
98 . 1 1 35 35 ALA N N 15 123.379 0.20 . 1 . . . . 1034 Ala N . 19836 2
99 . 1 1 36 36 GLN H H 1 8.375 0.02 . 1 . . . . 1035 Gln H . 19836 2
100 . 1 1 36 36 GLN N N 15 119.717 0.20 . 1 . . . . 1035 Gln N . 19836 2
101 . 1 1 37 37 GLY H H 1 8.413 0.02 . 1 . . . . 1036 Gly H . 19836 2
102 . 1 1 37 37 GLY N N 15 109.975 0.20 . 1 . . . . 1036 Gly N . 19836 2
103 . 1 1 38 38 ASP H H 1 8.283 0.02 . 1 . . . . 1037 Asp H . 19836 2
104 . 1 1 38 38 ASP N N 15 120.636 0.20 . 1 . . . . 1037 Asp N . 19836 2
105 . 1 1 39 39 ILE H H 1 8.248 0.02 . 1 . . . . 1038 Ile H . 19836 2
106 . 1 1 39 39 ILE N N 15 121.247 0.20 . 1 . . . . 1038 Ile N . 19836 2
107 . 1 1 40 40 THR H H 1 8.333 0.02 . 1 . . . . 1039 Thr H . 19836 2
108 . 1 1 40 40 THR N N 15 118.020 0.20 . 1 . . . . 1039 Thr N . 19836 2
109 . 1 1 41 41 ALA H H 1 8.267 0.02 . 1 . . . . 1040 Ala H . 19836 2
110 . 1 1 41 41 ALA N N 15 128.190 0.20 . 1 . . . . 1040 Ala N . 19836 2
111 . 1 1 43 43 GLY H H 1 8.655 0.02 . 1 . . . . 1042 Gly H . 19836 2
112 . 1 1 43 43 GLY N N 15 110.082 0.20 . 1 . . . . 1042 Gly N . 19836 2
113 . 1 1 44 44 GLY H H 1 8.363 0.02 . 1 . . . . 1043 Gly H . 19836 2
114 . 1 1 44 44 GLY N N 15 108.933 0.20 . 1 . . . . 1043 Gly N . 19836 2
115 . 1 1 45 45 ALA H H 1 8.252 0.02 . 1 . . . . 1044 Ala H . 19836 2
116 . 1 1 45 45 ALA N N 15 123.798 0.20 . 1 . . . . 1044 Ala N . 19836 2
117 . 1 1 46 46 ARG H H 1 8.361 0.02 . 1 . . . . 1045 Arg H . 19836 2
118 . 1 1 46 46 ARG N N 15 120.625 0.20 . 1 . . . . 1045 Arg N . 19836 2
119 . 1 1 47 47 ARG H H 1 8.450 0.02 . 1 . . . . 1046 Arg H . 19836 2
120 . 1 1 47 47 ARG N N 15 123.130 0.20 . 1 . . . . 1046 Arg N . 19836 2
121 . 1 1 49 49 THR H H 1 8.236 0.02 . 1 . . . . 1048 Thr H . 19836 2
122 . 1 1 49 49 THR N N 15 114.050 0.20 . 1 . . . . 1048 Thr N . 19836 2
123 . 1 1 50 50 GLY H H 1 8.573 0.02 . 1 . . . . 1049 Gly H . 19836 2
124 . 1 1 50 50 GLY N N 15 110.835 0.20 . 1 . . . . 1049 Gly N . 19836 2
125 . 1 1 51 51 ASP H H 1 8.385 0.02 . 1 . . . . 1050 Asp H . 19836 2
126 . 1 1 51 51 ASP N N 15 120.701 0.20 . 1 . . . . 1050 Asp N . 19836 2
127 . 1 1 52 52 GLN H H 1 8.522 0.02 . 1 . . . . 1051 Gln H . 19836 2
128 . 1 1 52 52 GLN N N 15 121.566 0.20 . 1 . . . . 1051 Gln N . 19836 2
129 . 1 1 53 53 THR H H 1 8.295 0.02 . 1 . . . . 1052 Thr H . 19836 2
130 . 1 1 53 53 THR N N 15 115.354 0.20 . 1 . . . . 1052 Thr N . 19836 2
131 . 1 1 54 54 ALA H H 1 8.252 0.02 . 1 . . . . 1053 Ala H . 19836 2
132 . 1 1 54 54 ALA N N 15 126.109 0.20 . 1 . . . . 1053 Ala N . 19836 2
133 . 1 1 55 55 ALA H H 1 8.137 0.02 . 1 . . . . 1054 Ala H . 19836 2
134 . 1 1 55 55 ALA N N 15 122.159 0.20 . 1 . . . . 1054 Ala N . 19836 2
135 . 1 1 56 56 LEU H H 1 8.084 0.02 . 1 . . . . 1055 Leu H . 19836 2
136 . 1 1 56 56 LEU N N 15 120.759 0.20 . 1 . . . . 1055 Leu N . 19836 2
137 . 1 1 58 58 ASP H H 1 8.415 0.02 . 1 . . . . 1057 Asp H . 19836 2
138 . 1 1 58 58 ASP N N 15 121.179 0.20 . 1 . . . . 1057 Asp N . 19836 2
139 . 1 1 59 59 SER H H 1 8.262 0.02 . 1 . . . . 1058 Ser H . 19836 2
140 . 1 1 59 59 SER N N 15 116.298 0.20 . 1 . . . . 1058 Ser N . 19836 2
141 . 1 1 60 60 LEU H H 1 8.259 0.02 . 1 . . . . 1059 Leu H . 19836 2
142 . 1 1 60 60 LEU N N 15 123.176 0.20 . 1 . . . . 1059 Leu N . 19836 2
143 . 1 1 61 61 SER H H 1 8.129 0.02 . 1 . . . . 1060 Ser H . 19836 2
144 . 1 1 61 61 SER N N 15 115.608 0.20 . 1 . . . . 1060 Ser N . 19836 2
145 . 1 1 62 62 ASP H H 1 8.294 0.02 . 1 . . . . 1061 Asp H . 19836 2
146 . 1 1 62 62 ASP N N 15 122.288 0.20 . 1 . . . . 1061 Asp N . 19836 2
147 . 1 1 63 63 LYS H H 1 8.182 0.02 . 1 . . . . 1062 Lys H . 19836 2
148 . 1 1 63 63 LYS N N 15 122.252 0.20 . 1 . . . . 1062 Lys N . 19836 2
149 . 1 1 65 65 ALA H H 1 8.498 0.02 . 1 . . . . 1064 Ala H . 19836 2
150 . 1 1 65 65 ALA N N 15 124.836 0.20 . 1 . . . . 1064 Ala N . 19836 2
151 . 1 1 66 66 LYS H H 1 8.357 0.02 . 1 . . . . 1065 Lys H . 19836 2
152 . 1 1 66 66 LYS N N 15 120.517 0.20 . 1 . . . . 1065 Lys N . 19836 2
153 . 1 1 67 67 ASN H H 1 8.484 0.02 . 1 . . . . 1066 Asn H . 19836 2
154 . 1 1 67 67 ASN N N 15 120.010 0.20 . 1 . . . . 1066 Asn N . 19836 2
155 . 1 1 68 68 ILE H H 1 8.161 0.02 . 1 . . . . 1067 Ile H . 19836 2
156 . 1 1 68 68 ILE N N 15 121.927 0.20 . 1 . . . . 1067 Ile N . 19836 2
157 . 1 1 69 69 ILE H H 1 8.270 0.02 . 1 . . . . 1068 Ile H . 19836 2
158 . 1 1 69 69 ILE N N 15 126.015 0.20 . 1 . . . . 1068 Ile N . 19836 2
159 . 1 1 70 70 LEU H H 1 8.348 0.02 . 1 . . . . 1069 Leu H . 19836 2
160 . 1 1 70 70 LEU N N 15 127.306 0.20 . 1 . . . . 1069 Leu N . 19836 2
161 . 1 1 71 71 LEU H H 1 8.334 0.02 . 1 . . . . 1070 Leu H . 19836 2
162 . 1 1 71 71 LEU N N 15 124.247 0.20 . 1 . . . . 1070 Leu N . 19836 2
163 . 1 1 72 72 ILE H H 1 8.211 0.02 . 1 . . . . 1071 Ile H . 19836 2
164 . 1 1 72 72 ILE N N 15 122.309 0.20 . 1 . . . . 1071 Ile N . 19836 2
165 . 1 1 73 73 GLY H H 1 8.496 0.02 . 1 . . . . 1072 Gly H . 19836 2
166 . 1 1 73 73 GLY N N 15 113.345 0.20 . 1 . . . . 1072 Gly N . 19836 2
167 . 1 1 74 74 ASP H H 1 8.350 0.02 . 1 . . . . 1073 Asp H . 19836 2
168 . 1 1 74 74 ASP N N 15 120.764 0.20 . 1 . . . . 1073 Asp N . 19836 2
169 . 1 1 75 75 GLY H H 1 8.564 0.02 . 1 . . . . 1074 Gly H . 19836 2
170 . 1 1 75 75 GLY N N 15 109.452 0.20 . 1 . . . . 1074 Gly N . 19836 2
171 . 1 1 76 76 MET H H 1 8.425 0.02 . 1 . . . . 1075 Met H . 19836 2
172 . 1 1 76 76 MET N N 15 123.062 0.20 . 1 . . . . 1075 Met N . 19836 2
173 . 1 1 77 77 GLY H H 1 8.572 0.02 . 1 . . . . 1076 Gly H . 19836 2
174 . 1 1 77 77 GLY N N 15 110.169 0.20 . 1 . . . . 1076 Gly N . 19836 2
175 . 1 1 78 78 ASP H H 1 8.368 0.02 . 1 . . . . 1077 Asp H . 19836 2
176 . 1 1 78 78 ASP N N 15 120.743 0.20 . 1 . . . . 1077 Asp N . 19836 2
177 . 1 1 79 79 SER H H 1 8.434 0.02 . 1 . . . . 1078 Ser H . 19836 2
178 . 1 1 79 79 SER N N 15 116.369 0.20 . 1 . . . . 1078 Ser N . 19836 2
179 . 1 1 80 80 GLU H H 1 8.505 0.02 . 1 . . . . 1079 Glu H . 19836 2
180 . 1 1 80 80 GLU N N 15 122.753 0.20 . 1 . . . . 1079 Glu N . 19836 2
181 . 1 1 81 81 ILE H H 1 8.184 0.02 . 1 . . . . 1080 Ile H . 19836 2
182 . 1 1 81 81 ILE N N 15 121.870 0.20 . 1 . . . . 1080 Ile N . 19836 2
183 . 1 1 82 82 THR H H 1 8.135 0.02 . 1 . . . . 1081 Thr H . 19836 2
184 . 1 1 82 82 THR N N 15 117.807 0.20 . 1 . . . . 1081 Thr N . 19836 2
185 . 1 1 83 83 ALA H H 1 8.200 0.02 . 1 . . . . 1082 Ala H . 19836 2
186 . 1 1 83 83 ALA N N 15 125.821 0.20 . 1 . . . . 1082 Ala N . 19836 2
187 . 1 1 84 84 ALA H H 1 8.179 0.02 . 1 . . . . 1083 Ala H . 19836 2
188 . 1 1 84 84 ALA N N 15 122.820 0.20 . 1 . . . . 1083 Ala N . 19836 2
189 . 1 1 85 85 ARG H H 1 8.218 0.02 . 1 . . . . 1084 Arg H . 19836 2
190 . 1 1 85 85 ARG N N 15 119.973 0.20 . 1 . . . . 1084 Arg N . 19836 2
191 . 1 1 86 86 ASN H H 1 8.350 0.02 . 1 . . . . 1085 Asn H . 19836 2
192 . 1 1 86 86 ASN N N 15 119.289 0.20 . 1 . . . . 1085 Asn N . 19836 2
193 . 1 1 87 87 TYR H H 1 8.194 0.02 . 1 . . . . 1086 Tyr H . 19836 2
194 . 1 1 87 87 TYR N N 15 121.255 0.20 . 1 . . . . 1086 Tyr N . 19836 2
195 . 1 1 88 88 ALA H H 1 8.193 0.02 . 1 . . . . 1087 Ala H . 19836 2
196 . 1 1 88 88 ALA N N 15 124.626 0.20 . 1 . . . . 1087 Ala N . 19836 2
197 . 1 1 89 89 GLU H H 1 8.293 0.02 . 1 . . . . 1088 Glu H . 19836 2
198 . 1 1 89 89 GLU N N 15 119.455 0.20 . 1 . . . . 1088 Glu N . 19836 2
199 . 1 1 90 90 GLY H H 1 8.310 0.02 . 1 . . . . 1089 Gly H . 19836 2
200 . 1 1 90 90 GLY N N 15 109.954 0.20 . 1 . . . . 1089 Gly N . 19836 2
201 . 1 1 91 91 ALA H H 1 8.217 0.02 . 1 . . . . 1090 Ala H . 19836 2
202 . 1 1 91 91 ALA N N 15 123.873 0.20 . 1 . . . . 1090 Ala N . 19836 2
203 . 1 1 92 92 GLY H H 1 8.457 0.02 . 1 . . . . 1091 Gly H . 19836 2
204 . 1 1 92 92 GLY N N 15 108.009 0.20 . 1 . . . . 1091 Gly N . 19836 2
205 . 1 1 95 95 PHE HD1 H 1 7.200 0.02 . 1 . . . . 1094 Phe HD . 19836 2
206 . 1 1 95 95 PHE HD2 H 1 7.200 0.02 . 1 . . . . 1094 Phe HD . 19836 2
207 . 1 1 95 95 PHE HE1 H 1 7.293 0.02 . 1 . . . . 1094 Phe HE . 19836 2
208 . 1 1 95 95 PHE HE2 H 1 7.293 0.02 . 1 . . . . 1094 Phe HE . 19836 2
209 . 1 1 95 95 PHE HZ H 1 7.248 0.02 . 1 . . . . 1094 Phe HZ . 19836 2
210 . 1 1 95 95 PHE CD1 C 13 132.007 0.20 . 1 . . . . 1094 Phe CD . 19836 2
211 . 1 1 95 95 PHE CD2 C 13 132.007 0.20 . 1 . . . . 1094 Phe CD . 19836 2
212 . 1 1 95 95 PHE CE1 C 13 131.369 0.20 . 1 . . . . 1094 Phe CE . 19836 2
213 . 1 1 95 95 PHE CE2 C 13 131.369 0.20 . 1 . . . . 1094 Phe CE . 19836 2
214 . 1 1 95 95 PHE CZ C 13 129.788 0.20 . 1 . . . . 1094 Phe CZ . 19836 2
215 . 1 1 98 98 ILE HG21 H 1 0.853 0.02 . 1 . . . . 1097 Ile QG2 . 19836 2
216 . 1 1 98 98 ILE HG22 H 1 0.853 0.02 . 1 . . . . 1097 Ile QG2 . 19836 2
217 . 1 1 98 98 ILE HG23 H 1 0.853 0.02 . 1 . . . . 1097 Ile QG2 . 19836 2
218 . 1 1 98 98 ILE HD11 H 1 0.799 0.02 . 1 . . . . 1097 Ile QD1 . 19836 2
219 . 1 1 98 98 ILE HD12 H 1 0.799 0.02 . 1 . . . . 1097 Ile QD1 . 19836 2
220 . 1 1 98 98 ILE HD13 H 1 0.799 0.02 . 1 . . . . 1097 Ile QD1 . 19836 2
221 . 1 1 98 98 ILE HG12 H 1 1.118 0.02 . 1 . . . . 1097 Ile QG1 . 19836 2
222 . 1 1 98 98 ILE HG13 H 1 1.118 0.02 . 1 . . . . 1097 Ile QG1 . 19836 2
223 . 1 1 98 98 ILE CG1 C 13 27.159 0.20 . 1 . . . . 1097 Ile CG1 . 19836 2
224 . 1 1 98 98 ILE CG2 C 13 17.431 0.20 . 1 . . . . 1097 Ile CG2 . 19836 2
225 . 1 1 98 98 ILE CD1 C 13 13.205 0.20 . 1 . . . . 1097 Ile CD1 . 19836 2
226 . 1 1 100 100 ALA HB1 H 1 1.272 0.02 . 1 . . . . 1099 Ala QB . 19836 2
227 . 1 1 100 100 ALA HB2 H 1 1.272 0.02 . 1 . . . . 1099 Ala QB . 19836 2
228 . 1 1 100 100 ALA HB3 H 1 1.272 0.02 . 1 . . . . 1099 Ala QB . 19836 2
229 . 1 1 100 100 ALA CB C 13 19.508 0.20 . 1 . . . . 1099 Ala CB . 19836 2
230 . 1 1 101 101 LEU HD11 H 1 0.824 0.02 . 2 . . . . 1100 Leu HD1 . 19836 2
231 . 1 1 101 101 LEU HD12 H 1 0.824 0.02 . 2 . . . . 1100 Leu HD1 . 19836 2
232 . 1 1 101 101 LEU HD13 H 1 0.824 0.02 . 2 . . . . 1100 Leu HD1 . 19836 2
233 . 1 1 101 101 LEU HD21 H 1 0.776 0.02 . 2 . . . . 1100 Leu HD2 . 19836 2
234 . 1 1 101 101 LEU HD22 H 1 0.776 0.02 . 2 . . . . 1100 Leu HD2 . 19836 2
235 . 1 1 101 101 LEU HD23 H 1 0.776 0.02 . 2 . . . . 1100 Leu HD2 . 19836 2
236 . 1 1 101 101 LEU CD1 C 13 25.302 0.20 . 2 . . . . 1100 Leu CD1 . 19836 2
237 . 1 1 101 101 LEU CD2 C 13 23.554 0.20 . 2 . . . . 1100 Leu CD2 . 19836 2
238 . 1 1 103 103 LEU HD11 H 1 0.826 0.02 . 2 . . . . 1102 Leu HD1 . 19836 2
239 . 1 1 103 103 LEU HD12 H 1 0.826 0.02 . 2 . . . . 1102 Leu HD1 . 19836 2
240 . 1 1 103 103 LEU HD13 H 1 0.826 0.02 . 2 . . . . 1102 Leu HD1 . 19836 2
241 . 1 1 103 103 LEU HD21 H 1 0.775 0.02 . 2 . . . . 1102 Leu HD2 . 19836 2
242 . 1 1 103 103 LEU HD22 H 1 0.775 0.02 . 2 . . . . 1102 Leu HD2 . 19836 2
243 . 1 1 103 103 LEU HD23 H 1 0.775 0.02 . 2 . . . . 1102 Leu HD2 . 19836 2
244 . 1 1 103 103 LEU CD1 C 13 25.300 0.20 . 2 . . . . 1102 Leu CD1 . 19836 2
245 . 1 1 103 103 LEU CD2 C 13 23.551 0.20 . 2 . . . . 1102 Leu CD2 . 19836 2
246 . 1 1 107 107 TYR HD1 H 1 7.013 0.02 . 3 . . . . 1106 Tyr HD1 . 19836 2
247 . 1 1 107 107 TYR HE1 H 1 6.740 0.02 . 3 . . . . 1106 Tyr HE1 . 19836 2
248 . 1 1 107 107 TYR CD1 C 13 133.175 0.20 . 3 . . . . 1106 Tyr CD1 . 19836 2
249 . 1 1 107 107 TYR CE1 C 13 118.153 0.20 . 3 . . . . 1106 Tyr CE1 . 19836 2
250 . 1 1 109 109 HIS HD2 H 1 6.901 0.02 . 1 . . . . 1108 His HD2 . 19836 2
251 . 1 1 109 109 HIS HE1 H 1 7.839 0.02 . 1 . . . . 1108 His HE1 . 19836 2
252 . 1 1 109 109 HIS CD2 C 13 119.586 0.20 . 1 . . . . 1108 His CD2 . 19836 2
253 . 1 1 109 109 HIS CE1 C 13 138.032 0.20 . 1 . . . . 1108 His CE1 . 19836 2
254 . 1 1 111 111 ALA HB1 H 1 1.320 0.02 . 1 . . . . 1110 Ala QB . 19836 2
255 . 1 1 111 111 ALA HB2 H 1 1.320 0.02 . 1 . . . . 1110 Ala QB . 19836 2
256 . 1 1 111 111 ALA HB3 H 1 1.320 0.02 . 1 . . . . 1110 Ala QB . 19836 2
257 . 1 1 111 111 ALA CB C 13 19.195 0.20 . 1 . . . . 1110 Ala CB . 19836 2
258 . 1 1 112 112 LEU HD11 H 1 0.820 0.02 . 1 . . . . 1111 Leu QD1 . 19836 2
259 . 1 1 112 112 LEU HD12 H 1 0.820 0.02 . 1 . . . . 1111 Leu QD1 . 19836 2
260 . 1 1 112 112 LEU HD13 H 1 0.820 0.02 . 1 . . . . 1111 Leu QD1 . 19836 2
261 . 1 1 112 112 LEU HD21 H 1 0.754 0.02 . 1 . . . . 1111 Leu QD2 . 19836 2
262 . 1 1 112 112 LEU HD22 H 1 0.754 0.02 . 1 . . . . 1111 Leu QD2 . 19836 2
263 . 1 1 112 112 LEU HD23 H 1 0.754 0.02 . 1 . . . . 1111 Leu QD2 . 19836 2
264 . 1 1 112 112 LEU CD1 C 13 24.692 0.20 . 2 . . . . 1111 Leu CD1 . 19836 2
265 . 1 1 112 112 LEU CD2 C 13 23.419 0.20 . 2 . . . . 1111 Leu CD2 . 19836 2
266 . 1 1 126 126 ALA HB1 H 1 1.342 0.02 . 1 . . . . 1125 Ala HB . 19836 2
267 . 1 1 126 126 ALA HB2 H 1 1.342 0.02 . 1 . . . . 1125 Ala HB . 19836 2
268 . 1 1 126 126 ALA HB3 H 1 1.342 0.02 . 1 . . . . 1125 Ala HB . 19836 2
269 . 1 1 126 126 ALA CB C 13 18.924 0.20 . 1 . . . . 1125 Ala CB . 19836 2
270 . 1 1 127 127 ALA HB1 H 1 1.351 0.02 . 1 . . . . 1126 Ala QB . 19836 2
271 . 1 1 127 127 ALA HB2 H 1 1.351 0.02 . 1 . . . . 1126 Ala QB . 19836 2
272 . 1 1 127 127 ALA HB3 H 1 1.351 0.02 . 1 . . . . 1126 Ala QB . 19836 2
273 . 1 1 127 127 ALA CB C 13 18.923 0.20 . 1 . . . . 1126 Ala CB . 19836 2
274 . 1 1 129 129 ALA HB1 H 1 1.247 0.02 . 1 . . . . 1128 Ala QB . 19836 2
275 . 1 1 129 129 ALA HB2 H 1 1.247 0.02 . 1 . . . . 1128 Ala QB . 19836 2
276 . 1 1 129 129 ALA HB3 H 1 1.247 0.02 . 1 . . . . 1128 Ala QB . 19836 2
277 . 1 1 129 129 ALA CB C 13 18.879 0.20 . 1 . . . . 1128 Ala CB . 19836 2
278 . 1 1 130 130 THR HG21 H 1 1.080 0.02 . 1 . . . . 1129 Thr QG2 . 19836 2
279 . 1 1 130 130 THR HG22 H 1 1.080 0.02 . 1 . . . . 1129 Thr QG2 . 19836 2
280 . 1 1 130 130 THR HG23 H 1 1.080 0.02 . 1 . . . . 1129 Thr QG2 . 19836 2
281 . 1 1 130 130 THR CG2 C 13 21.541 0.20 . 1 . . . . 1129 Thr CG2 . 19836 2
282 . 1 1 131 131 ALA HB1 H 1 1.352 0.02 . 1 . . . . 1130 Ala QB . 19836 2
283 . 1 1 131 131 ALA HB2 H 1 1.352 0.02 . 1 . . . . 1130 Ala QB . 19836 2
284 . 1 1 131 131 ALA HB3 H 1 1.352 0.02 . 1 . . . . 1130 Ala QB . 19836 2
285 . 1 1 131 131 ALA CB C 13 18.973 0.20 . 1 . . . . 1130 Ala CB . 19836 2
286 . 1 1 132 132 TRP HD1 H 1 7.559 0.02 . 1 . . . . 1131 Trp HD1 . 19836 2
287 . 1 1 132 132 TRP HE3 H 1 7.218 0.02 . 1 . . . . 1131 Trp HE3 . 19836 2
288 . 1 1 132 132 TRP HZ2 H 1 7.440 0.02 . 1 . . . . 1131 Trp HZ2 . 19836 2
289 . 1 1 132 132 TRP HZ3 H 1 7.097 0.02 . 1 . . . . 1131 Trp HZ3 . 19836 2
290 . 1 1 132 132 TRP HH2 H 1 7.182 0.02 . 1 . . . . 1131 Trp HH2 . 19836 2
291 . 1 1 132 132 TRP CD1 C 13 120.829 0.20 . 1 . . . . 1131 Trp CD1 . 19836 2
292 . 1 1 132 132 TRP CE3 C 13 127.245 0.20 . 1 . . . . 1131 Trp CE3 . 19836 2
293 . 1 1 132 132 TRP CZ2 C 13 114.600 0.20 . 1 . . . . 1131 Trp CZ2 . 19836 2
294 . 1 1 132 132 TRP CZ3 C 13 122.006 0.20 . 1 . . . . 1131 Trp CZ3 . 19836 2
295 . 1 1 132 132 TRP CH2 C 13 124.616 0.20 . 1 . . . . 1131 Trp CH2 . 19836 2
296 . 1 1 135 135 GLY H H 1 8.324 0.02 . 1 . . . . 1134 Gly H . 19836 2
297 . 1 1 135 135 GLY N N 15 111.044 0.20 . 1 . . . . 1134 Gly N . 19836 2
298 . 1 1 136 136 VAL H H 1 7.986 0.02 . 1 . . . . 1135 Val H . 19836 2
299 . 1 1 136 136 VAL N N 15 119.880 0.20 . 1 . . . . 1135 Val N . 19836 2
300 . 1 1 137 137 LYS H H 1 8.485 0.02 . 1 . . . . 1136 Lys H . 19836 2
301 . 1 1 137 137 LYS N N 15 125.787 0.20 . 1 . . . . 1136 Lys N . 19836 2
302 . 1 1 138 138 THR H H 1 8.139 0.02 . 1 . . . . 1137 Thr H . 19836 2
303 . 1 1 138 138 THR N N 15 115.698 0.20 . 1 . . . . 1137 Thr N . 19836 2
304 . 1 1 139 139 TYR H H 1 8.431 0.02 . 1 . . . . 1138 Tyr H . 19836 2
305 . 1 1 139 139 TYR N N 15 122.732 0.20 . 1 . . . . 1138 Tyr N . 19836 2
306 . 1 1 140 140 ASN H H 1 8.487 0.02 . 1 . . . . 1139 Asn H . 19836 2
307 . 1 1 140 140 ASN N N 15 122.249 0.20 . 1 . . . . 1139 Asn N . 19836 2
308 . 1 1 141 141 GLY H H 1 7.820 0.02 . 1 . . . . 1140 Gly H . 19836 2
309 . 1 1 141 141 GLY N N 15 109.196 0.20 . 1 . . . . 1140 Gly N . 19836 2
310 . 1 1 142 142 ALA H H 1 8.139 0.02 . 1 . . . . 1141 Ala H . 19836 2
311 . 1 1 142 142 ALA N N 15 123.501 0.20 . 1 . . . . 1141 Ala N . 19836 2
312 . 1 1 143 143 LEU H H 1 8.258 0.02 . 1 . . . . 1142 Leu H . 19836 2
313 . 1 1 143 143 LEU N N 15 120.988 0.20 . 1 . . . . 1142 Leu N . 19836 2
314 . 1 1 144 144 GLY H H 1 8.396 0.02 . 1 . . . . 1143 Gly H . 19836 2
315 . 1 1 144 144 GLY N N 15 109.797 0.20 . 1 . . . . 1143 Gly N . 19836 2
316 . 1 1 145 145 VAL H H 1 7.918 0.02 . 1 . . . . 1144 Val H . 19836 2
317 . 1 1 145 145 VAL N N 15 118.717 0.20 . 1 . . . . 1144 Val N . 19836 2
318 . 1 1 146 146 ASP H H 1 8.531 0.02 . 1 . . . . 1145 Asp H . 19836 2
319 . 1 1 146 146 ASP N N 15 124.252 0.20 . 1 . . . . 1145 Asp N . 19836 2
320 . 1 1 147 147 ILE H H 1 8.108 0.02 . 1 . . . . 1146 Ile H . 19836 2
321 . 1 1 147 147 ILE N N 15 121.333 0.20 . 1 . . . . 1146 Ile N . 19836 2
322 . 1 1 148 148 HIS H H 1 8.523 0.02 . 1 . . . . 1147 His H . 19836 2
323 . 1 1 148 148 HIS N N 15 122.572 0.20 . 1 . . . . 1147 His N . 19836 2
324 . 1 1 149 149 GLU H H 1 8.093 0.02 . 1 . . . . 1148 Glu H . 19836 2
325 . 1 1 149 149 GLU N N 15 121.436 0.20 . 1 . . . . 1148 Glu N . 19836 2
326 . 1 1 150 150 LYS H H 1 8.480 0.02 . 1 . . . . 1149 Lys H . 19836 2
327 . 1 1 150 150 LYS N N 15 121.716 0.20 . 1 . . . . 1149 Lys N . 19836 2
328 . 1 1 151 151 ASP H H 1 8.282 0.02 . 1 . . . . 1150 Asp H . 19836 2
329 . 1 1 151 151 ASP N N 15 120.334 0.20 . 1 . . . . 1150 Asp N . 19836 2
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