Content for NMR-STAR saveframe, "1H-1H_D2O_noesy_308K"
save_1H-1H_D2O_noesy_308K
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode 1H-1H_D2O_noesy_308K
_Assigned_chem_shift_list.Entry_ID 16901
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Sample_condition_list_ID 9
_Assigned_chem_shift_list.Sample_condition_list_label $1.2_mM_RLF_100%_D2O-308K
_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
8 '2D 1H-1H NOESY' . . . 16901 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 1 1 ALA HA H 1 4.004 0.000 1 1 . . . . 106 A HA . 16901 2
2 . 1 1 1 1 ALA HB1 H 1 1.461 0.000 1 1 . . . . 106 A HB1 . 16901 2
3 . 1 1 1 1 ALA HB2 H 1 1.461 0.000 1 1 . . . . 106 A HB1 . 16901 2
4 . 1 1 1 1 ALA HB3 H 1 1.461 0.000 1 1 . . . . 106 A HB1 . 16901 2
5 . 1 1 2 2 ALA H H 1 8.436 0.000 0 1 . . . . 107 A H . 16901 2
6 . 1 1 2 2 ALA HA H 1 4.217 0.000 1 1 . . . . 107 A HA . 16901 2
7 . 1 1 2 2 ALA HB1 H 1 1.297 0.000 1 1 . . . . 107 A HB1 . 16901 2
8 . 1 1 2 2 ALA HB2 H 1 1.297 0.000 1 1 . . . . 107 A HB1 . 16901 2
9 . 1 1 2 2 ALA HB3 H 1 1.297 0.000 1 1 . . . . 107 A HB1 . 16901 2
10 . 1 1 3 3 ALA H H 1 8.245 0.000 0 1 . . . . 108 A H . 16901 2
11 . 1 1 3 3 ALA HA H 1 4.257 0.000 1 1 . . . . 108 A HA . 16901 2
12 . 1 1 3 3 ALA HB1 H 1 1.277 0.000 1 1 . . . . 108 A HB1 . 16901 2
13 . 1 1 3 3 ALA HB2 H 1 1.277 0.000 1 1 . . . . 108 A HB1 . 16901 2
14 . 1 1 3 3 ALA HB3 H 1 1.277 0.000 1 1 . . . . 108 A HB1 . 16901 2
15 . 1 1 4 4 THR H H 1 7.952 0.000 0 1 . . . . 109 T H . 16901 2
16 . 1 1 4 4 THR HA H 1 4.225 0.002 2 1 . . . . 109 T HA . 16901 2
17 . 1 1 4 4 THR HB H 1 4.109 0.003 3 1 . . . . 109 T HB . 16901 2
18 . 1 1 4 4 THR HG21 H 1 1.138 0.001 3 1 . . . . 109 T HG21 . 16901 2
19 . 1 1 4 4 THR HG22 H 1 1.138 0.001 3 1 . . . . 109 T HG21 . 16901 2
20 . 1 1 4 4 THR HG23 H 1 1.138 0.001 3 1 . . . . 109 T HG21 . 16901 2
21 . 1 1 5 5 ASN H H 1 8.331 0.000 0 1 . . . . 110 N H . 16901 2
22 . 1 1 5 5 ASN HA H 1 4.908 0.001 10 1 . . . . 110 N HA . 16901 2
23 . 1 1 5 5 ASN HB2 H 1 2.878 0.002 5 2 . . . . 110 N HB2 . 16901 2
24 . 1 1 5 5 ASN HB3 H 1 2.752 0.002 5 2 . . . . 110 N HB3 . 16901 2
25 . 1 1 5 5 ASN HD21 H 1 6.874 0.000 0 2 . . . . 110 N HD21 . 16901 2
26 . 1 1 5 5 ASN HD22 H 1 7.630 0.000 0 2 . . . . 110 N HD22 . 16901 2
27 . 1 1 6 6 PRO HA H 1 4.097 0.002 5 1 . . . . 111 P HA . 16901 2
28 . 1 1 6 6 PRO HB2 H 1 2.297 0.001 5 2 . . . . 111 P HB2 . 16901 2
29 . 1 1 6 6 PRO HB3 H 1 1.853 0.000 3 2 . . . . 111 P HB3 . 16901 2
30 . 1 1 6 6 PRO HD2 H 1 3.791 0.000 1 2 . . . . 111 P HD2 . 16901 2
31 . 1 1 6 6 PRO HD3 H 1 3.791 0.000 1 2 . . . . 111 P HD3 . 16901 2
32 . 1 1 6 6 PRO HG2 H 1 1.980 0.000 1 2 . . . . 111 P HG2 . 16901 2
33 . 1 1 6 6 PRO HG3 H 1 1.979 0.000 1 2 . . . . 111 P HG3 . 16901 2
34 . 1 1 7 7 ALA H H 1 7.813 0.000 0 1 . . . . 112 A H . 16901 2
35 . 1 1 7 7 ALA HB1 H 1 1.041 0.000 1 1 . . . . 112 A HB1 . 16901 2
36 . 1 1 7 7 ALA HB2 H 1 1.041 0.000 1 1 . . . . 112 A HB1 . 16901 2
37 . 1 1 7 7 ALA HB3 H 1 1.041 0.000 1 1 . . . . 112 A HB1 . 16901 2
38 . 1 1 8 8 ARG H H 1 7.451 0.000 0 1 . . . . 113 R H . 16901 2
39 . 1 1 8 8 ARG HA H 1 3.868 0.002 6 1 . . . . 113 R HA . 16901 2
40 . 1 1 8 8 ARG HB2 H 1 1.675 0.001 3 2 . . . . 113 R HB2 . 16901 2
41 . 1 1 8 8 ARG HB3 H 1 1.483 0.000 1 2 . . . . 113 R HB3 . 16901 2
42 . 1 1 8 8 ARG HD2 H 1 3.091 0.000 1 2 . . . . 113 R HD2 . 16901 2
43 . 1 1 8 8 ARG HE H 1 6.874 0.000 0 1 . . . . 113 R HE . 16901 2
44 . 1 1 8 8 ARG HG2 H 1 1.423 0.000 1 2 . . . . 113 R HG2 . 16901 2
45 . 1 1 8 8 ARG HG3 H 1 1.420 0.000 1 2 . . . . 113 R HG3 . 16901 2
46 . 1 1 9 9 TYR H H 1 8.001 0.000 0 1 . . . . 114 Y H . 16901 2
47 . 1 1 9 9 TYR HA H 1 4.226 0.001 3 1 . . . . 114 Y HA . 16901 2
48 . 1 1 9 9 TYR HB2 H 1 3.030 0.000 1 2 . . . . 114 Y HB2 . 16901 2
49 . 1 1 9 9 TYR HB3 H 1 3.030 0.000 1 2 . . . . 114 Y HB3 . 16901 2
50 . 1 1 9 9 TYR HD1 H 1 6.954 0.000 1 3 . . . . 114 Y HD# . 16901 2
51 . 1 1 9 9 TYR HD2 H 1 6.954 0.000 1 3 . . . . 114 Y HD# . 16901 2
52 . 1 1 9 9 TYR HE1 H 1 6.781 0.000 1 3 . . . . 114 Y HE# . 16901 2
53 . 1 1 9 9 TYR HE2 H 1 6.781 0.000 1 3 . . . . 114 Y HE# . 16901 2
54 . 1 1 10 10 CYS H H 1 8.655 0.000 0 1 . . . . 115 C H . 16901 2
55 . 1 1 10 10 CYS HA H 1 4.407 0.000 0 1 . . . . 115 C HA . 16901 2
56 . 1 1 10 10 CYS HB2 H 1 3.224 0.002 5 2 . . . . 115 C HB2 . 16901 2
57 . 1 1 10 10 CYS HB3 H 1 2.832 0.002 5 2 . . . . 115 C HB3 . 16901 2
58 . 1 1 11 11 CYS H H 1 7.488 0.000 0 1 . . . . 116 C H . 16901 2
59 . 1 1 11 11 CYS HA H 1 4.397 0.000 1 1 . . . . 116 C HA . 16901 2
60 . 1 1 11 11 CYS HB2 H 1 3.506 0.003 4 2 . . . . 116 C HB2 . 16901 2
61 . 1 1 11 11 CYS HB3 H 1 2.768 0.003 5 2 . . . . 116 C HB3 . 16901 2
62 . 1 1 12 12 LEU H H 1 8.051 0.000 0 1 . . . . 117 L H . 16901 2
63 . 1 1 12 12 LEU HA H 1 4.125 0.002 6 1 . . . . 117 L HA . 16901 2
64 . 1 1 12 12 LEU HB2 H 1 1.643 0.005 3 2 . . . . 117 L HB2 . 16901 2
65 . 1 1 12 12 LEU HB3 H 1 1.459 0.004 2 2 . . . . 117 L HB3 . 16901 2
66 . 1 1 12 12 LEU HD11 H 1 0.804 0.000 2 2 . . . . 117 L HD11 . 16901 2
67 . 1 1 12 12 LEU HD12 H 1 0.804 0.000 2 2 . . . . 117 L HD11 . 16901 2
68 . 1 1 12 12 LEU HD13 H 1 0.804 0.000 2 2 . . . . 117 L HD11 . 16901 2
69 . 1 1 12 12 LEU HD21 H 1 0.788 0.000 1 2 . . . . 117 L HD21 . 16901 2
70 . 1 1 12 12 LEU HD22 H 1 0.788 0.000 1 2 . . . . 117 L HD21 . 16901 2
71 . 1 1 12 12 LEU HD23 H 1 0.788 0.000 1 2 . . . . 117 L HD21 . 16901 2
72 . 1 1 12 12 LEU HG H 1 1.643 0.002 3 1 . . . . 117 L HG . 16901 2
73 . 1 1 13 13 SER H H 1 8.110 0.000 0 1 . . . . 118 S H . 16901 2
74 . 1 1 13 13 SER HA H 1 4.476 0.001 3 1 . . . . 118 S HA . 16901 2
75 . 1 1 13 13 SER HB2 H 1 3.526 0.000 2 2 . . . . 118 S HB2 . 16901 2
76 . 1 1 13 13 SER HB3 H 1 3.150 0.000 2 2 . . . . 118 S HB3 . 16901 2
77 . 1 1 14 14 GLY H H 1 7.117 0.000 0 1 . . . . 119 G H . 16901 2
78 . 1 1 14 14 GLY HA2 H 1 4.230 0.002 5 2 . . . . 119 G HA2 . 16901 2
79 . 1 1 14 14 GLY HA3 H 1 3.909 0.002 4 2 . . . . 119 G HA3 . 16901 2
80 . 1 1 15 15 CYS H H 1 8.793 0.000 0 1 . . . . 120 C H . 16901 2
81 . 1 1 15 15 CYS HA H 1 5.185 0.001 19 1 . . . . 120 C HA . 16901 2
82 . 1 1 15 15 CYS HB2 H 1 3.712 0.001 3 2 . . . . 120 C HB2 . 16901 2
83 . 1 1 15 15 CYS HB3 H 1 2.584 0.000 1 2 . . . . 120 C HB3 . 16901 2
84 . 1 1 16 16 THR H H 1 9.692 0.000 0 1 . . . . 121 T H . 16901 2
85 . 1 1 16 16 THR HA H 1 4.869 0.001 12 1 . . . . 121 T HA . 16901 2
86 . 1 1 16 16 THR HB H 1 4.731 0.003 9 1 . . . . 121 T HB . 16901 2
87 . 1 1 16 16 THR HG21 H 1 1.127 0.002 15 1 . . . . 121 T HG21 . 16901 2
88 . 1 1 16 16 THR HG22 H 1 1.127 0.002 15 1 . . . . 121 T HG21 . 16901 2
89 . 1 1 16 16 THR HG23 H 1 1.127 0.002 15 1 . . . . 121 T HG21 . 16901 2
90 . 1 1 17 17 GLN H H 1 8.990 0.000 0 1 . . . . 122 Q H . 16901 2
91 . 1 1 17 17 GLN HA H 1 3.920 0.002 8 1 . . . . 122 Q HA . 16901 2
92 . 1 1 17 17 GLN HB2 H 1 2.133 0.005 3 2 . . . . 122 Q HB2 . 16901 2
93 . 1 1 17 17 GLN HB3 H 1 2.079 0.000 0 2 . . . . 122 Q HB3 . 16901 2
94 . 1 1 17 17 GLN HE21 H 1 7.420 0.000 0 2 . . . . 122 Q HE21 . 16901 2
95 . 1 1 17 17 GLN HE22 H 1 6.675 0.000 0 2 . . . . 122 Q HE22 . 16901 2
96 . 1 1 17 17 GLN HG2 H 1 2.396 0.001 4 2 . . . . 122 Q HG2 . 16901 2
97 . 1 1 17 17 GLN HG3 H 1 2.297 0.000 3 2 . . . . 122 Q HG3 . 16901 2
98 . 1 1 18 18 GLN H H 1 8.151 0.000 0 1 . . . . 123 Q H . 16901 2
99 . 1 1 18 18 GLN HA H 1 3.929 0.002 7 1 . . . . 123 Q HA . 16901 2
100 . 1 1 18 18 GLN HB2 H 1 2.053 0.001 2 2 . . . . 123 Q HB2 . 16901 2
101 . 1 1 18 18 GLN HB3 H 1 1.966 0.005 3 2 . . . . 123 Q HB3 . 16901 2
102 . 1 1 18 18 GLN HE21 H 1 7.500 0.000 0 2 . . . . 123 Q HE21 . 16901 2
103 . 1 1 18 18 GLN HE22 H 1 6.789 0.000 0 2 . . . . 123 Q HE22 . 16901 2
104 . 1 1 18 18 GLN HG2 H 1 2.411 0.001 2 2 . . . . 123 Q HG2 . 16901 2
105 . 1 1 18 18 GLN HG3 H 1 2.364 0.002 2 2 . . . . 123 Q HG3 . 16901 2
106 . 1 1 19 19 ASP H H 1 7.740 0.000 0 1 . . . . 124 D H . 16901 2
107 . 1 1 19 19 ASP HA H 1 4.333 0.001 3 1 . . . . 124 D HA . 16901 2
108 . 1 1 19 19 ASP HB2 H 1 3.195 0.001 2 2 . . . . 124 D HB2 . 16901 2
109 . 1 1 19 19 ASP HB3 H 1 2.785 0.004 3 2 . . . . 124 D HB3 . 16901 2
110 . 1 1 20 20 LEU H H 1 7.668 0.000 0 1 . . . . 125 L H . 16901 2
111 . 1 1 20 20 LEU HA H 1 3.959 0.002 6 1 . . . . 125 L HA . 16901 2
112 . 1 1 20 20 LEU HB2 H 1 2.015 0.002 6 2 . . . . 125 L HB2 . 16901 2
113 . 1 1 20 20 LEU HB3 H 1 1.226 0.003 9 2 . . . . 125 L HB3 . 16901 2
114 . 1 1 20 20 LEU HD11 H 1 0.768 0.001 6 2 . . . . 125 L HD11 . 16901 2
115 . 1 1 20 20 LEU HD12 H 1 0.768 0.001 6 2 . . . . 125 L HD11 . 16901 2
116 . 1 1 20 20 LEU HD13 H 1 0.768 0.001 6 2 . . . . 125 L HD11 . 16901 2
117 . 1 1 20 20 LEU HD21 H 1 0.710 0.001 7 2 . . . . 125 L HD21 . 16901 2
118 . 1 1 20 20 LEU HD22 H 1 0.710 0.001 7 2 . . . . 125 L HD21 . 16901 2
119 . 1 1 20 20 LEU HD23 H 1 0.710 0.001 7 2 . . . . 125 L HD21 . 16901 2
120 . 1 1 20 20 LEU HG H 1 1.834 0.003 8 1 . . . . 125 L HG . 16901 2
121 . 1 1 21 21 LEU H H 1 7.911 0.000 0 1 . . . . 126 L H . 16901 2
122 . 1 1 21 21 LEU HA H 1 4.184 0.002 8 1 . . . . 126 L HA . 16901 2
123 . 1 1 21 21 LEU HB2 H 1 1.734 0.001 5 2 . . . . 126 L HB2 . 16901 2
124 . 1 1 21 21 LEU HB3 H 1 1.528 0.001 4 2 . . . . 126 L HB3 . 16901 2
125 . 1 1 21 21 LEU HD11 H 1 0.835 0.000 1 2 . . . . 126 L HD11 . 16901 2
126 . 1 1 21 21 LEU HD12 H 1 0.835 0.000 1 2 . . . . 126 L HD11 . 16901 2
127 . 1 1 21 21 LEU HD13 H 1 0.835 0.000 1 2 . . . . 126 L HD11 . 16901 2
128 . 1 1 21 21 LEU HD21 H 1 0.835 0.000 1 2 . . . . 126 L HD21 . 16901 2
129 . 1 1 21 21 LEU HD22 H 1 0.835 0.000 1 2 . . . . 126 L HD21 . 16901 2
130 . 1 1 21 21 LEU HD23 H 1 0.835 0.000 1 2 . . . . 126 L HD21 . 16901 2
131 . 1 1 21 21 LEU HG H 1 1.633 0.000 1 1 . . . . 126 L HG . 16901 2
132 . 1 1 22 22 THR H H 1 7.464 0.000 0 1 . . . . 127 T H . 16901 2
133 . 1 1 22 22 THR HA H 1 4.104 0.001 4 1 . . . . 127 T HA . 16901 2
134 . 1 1 22 22 THR HB H 1 4.315 0.000 2 1 . . . . 127 T HB . 16901 2
135 . 1 1 22 22 THR HG21 H 1 1.373 0.000 3 1 . . . . 127 T HG21 . 16901 2
136 . 1 1 22 22 THR HG22 H 1 1.373 0.000 3 1 . . . . 127 T HG21 . 16901 2
137 . 1 1 22 22 THR HG23 H 1 1.373 0.000 3 1 . . . . 127 T HG21 . 16901 2
138 . 1 1 23 23 LEU H H 1 7.763 0.000 0 1 . . . . 128 L H . 16901 2
139 . 1 1 23 23 LEU HA H 1 4.369 0.001 5 1 . . . . 128 L HA . 16901 2
140 . 1 1 23 23 LEU HB2 H 1 2.117 0.002 7 2 . . . . 128 L HB2 . 16901 2
141 . 1 1 23 23 LEU HB3 H 1 1.618 0.000 4 2 . . . . 128 L HB3 . 16901 2
142 . 1 1 23 23 LEU HD11 H 1 1.040 0.002 5 2 . . . . 128 L HD11 . 16901 2
143 . 1 1 23 23 LEU HD12 H 1 1.040 0.002 5 2 . . . . 128 L HD11 . 16901 2
144 . 1 1 23 23 LEU HD13 H 1 1.040 0.002 5 2 . . . . 128 L HD11 . 16901 2
145 . 1 1 23 23 LEU HD21 H 1 0.860 0.006 4 2 . . . . 128 L HD21 . 16901 2
146 . 1 1 23 23 LEU HD22 H 1 0.860 0.006 4 2 . . . . 128 L HD21 . 16901 2
147 . 1 1 23 23 LEU HD23 H 1 0.860 0.006 4 2 . . . . 128 L HD21 . 16901 2
148 . 1 1 23 23 LEU HG H 1 1.904 0.002 3 1 . . . . 128 L HG . 16901 2
149 . 1 1 24 24 CYS H H 1 7.367 0.000 0 1 . . . . 129 C H . 16901 2
150 . 1 1 24 24 CYS HA H 1 4.717 0.000 4 1 . . . . 129 C HA . 16901 2
151 . 1 1 24 24 CYS HB2 H 1 2.968 0.003 2 2 . . . . 129 C HB2 . 16901 2
152 . 1 1 24 24 CYS HB3 H 1 2.792 0.000 1 2 . . . . 129 C HB3 . 16901 2
153 . 1 1 25 25 PRO HA H 1 4.344 0.001 4 1 . . . . 130 P HA . 16901 2
154 . 1 1 25 25 PRO HB2 H 1 1.989 0.002 2 2 . . . . 130 P HB2 . 16901 2
155 . 1 1 25 25 PRO HB3 H 1 1.829 0.000 2 2 . . . . 130 P HB3 . 16901 2
156 . 1 1 25 25 PRO HD2 H 1 3.505 0.000 3 2 . . . . 130 P HD2 . 16901 2
157 . 1 1 25 25 PRO HD3 H 1 3.324 0.003 6 2 . . . . 130 P HD3 . 16901 2
158 . 1 1 25 25 PRO HG2 H 1 1.642 0.002 2 2 . . . . 130 P HG2 . 16901 2
159 . 1 1 25 25 PRO HG3 H 1 1.646 0.000 1 2 . . . . 130 P HG3 . 16901 2
160 . 1 1 26 26 TYR H H 1 7.462 0.000 0 1 . . . . 131 Y H . 16901 2
161 . 1 1 26 26 TYR HA H 1 4.299 0.000 2 1 . . . . 131 Y HA . 16901 2
162 . 1 1 26 26 TYR HB2 H 1 2.984 0.001 2 2 . . . . 131 Y HB2 . 16901 2
163 . 1 1 26 26 TYR HB3 H 1 2.828 0.001 2 2 . . . . 131 Y HB3 . 16901 2
164 . 1 1 26 26 TYR HD1 H 1 6.984 0.000 1 3 . . . . 131 Y HD# . 16901 2
165 . 1 1 26 26 TYR HD2 H 1 6.984 0.000 1 3 . . . . 131 Y HD# . 16901 2
166 . 1 1 26 26 TYR HE1 H 1 6.704 0.000 1 3 . . . . 131 Y HE# . 16901 2
167 . 1 1 26 26 TYR HE2 H 1 6.704 0.000 1 3 . . . . 131 Y HE# . 16901 2
168 . 2 2 2 2 THR H H 1 8.558 0.000 0 1 . . . . 26 T H . 16901 2
169 . 2 2 2 2 THR HA H 1 4.615 0.000 2 1 . . . . 26 T HA . 16901 2
170 . 2 2 2 2 THR HB H 1 4.165 0.000 3 1 . . . . 26 T HB . 16901 2
171 . 2 2 2 2 THR HG21 H 1 1.240 0.001 2 1 . . . . 26 T HG21 . 16901 2
172 . 2 2 2 2 THR HG22 H 1 1.240 0.001 2 1 . . . . 26 T HG21 . 16901 2
173 . 2 2 2 2 THR HG23 H 1 1.240 0.001 2 1 . . . . 26 T HG21 . 16901 2
174 . 2 2 3 3 PRO HA H 1 4.380 0.001 3 1 . . . . 27 P HA . 16901 2
175 . 2 2 3 3 PRO HB2 H 1 2.272 0.003 3 2 . . . . 27 P HB2 . 16901 2
176 . 2 2 3 3 PRO HB3 H 1 1.871 0.003 2 2 . . . . 27 P HB3 . 16901 2
177 . 2 2 3 3 PRO HD2 H 1 3.811 0.003 7 2 . . . . 27 P HD2 . 16901 2
178 . 2 2 3 3 PRO HD3 H 1 3.707 0.002 6 2 . . . . 27 P HD3 . 16901 2
179 . 2 2 4 4 GLU H H 1 8.397 0.000 0 1 . . . . 28 E H . 16901 2
180 . 2 2 4 4 GLU HA H 1 4.252 0.002 2 1 . . . . 28 E HA . 16901 2
181 . 2 2 4 4 GLU HB2 H 1 2.020 0.004 4 2 . . . . 28 E HB2 . 16901 2
182 . 2 2 4 4 GLU HB3 H 1 1.917 0.002 4 2 . . . . 28 E HB3 . 16901 2
183 . 2 2 4 4 GLU HG2 H 1 2.293 0.001 2 2 . . . . 28 E HG2 . 16901 2
184 . 2 2 4 4 GLU HG3 H 1 2.256 0.000 1 2 . . . . 28 E HG3 . 16901 2
185 . 2 2 5 5 MET H H 1 8.325 0.000 0 1 . . . . 29 M H . 16901 2
186 . 2 2 5 5 MET HA H 1 4.391 0.001 4 1 . . . . 29 M HA . 16901 2
187 . 2 2 5 5 MET HB2 H 1 2.009 0.000 0 2 . . . . 29 M HB2 . 16901 2
188 . 2 2 5 5 MET HB3 H 1 1.975 0.000 1 2 . . . . 29 M HB3 . 16901 2
189 . 2 2 5 5 MET HG2 H 1 2.536 0.000 1 2 . . . . 29 M HG2 . 16901 2
190 . 2 2 5 5 MET HG3 H 1 2.481 0.000 1 2 . . . . 29 M HG3 . 16901 2
191 . 2 2 6 6 ARG H H 1 8.382 0.000 0 1 . . . . 30 R H . 16901 2
192 . 2 2 6 6 ARG HA H 1 3.999 0.001 8 1 . . . . 30 R HA . 16901 2
193 . 2 2 6 6 ARG HB2 H 1 1.547 0.002 7 2 . . . . 30 R HB2 . 16901 2
194 . 2 2 6 6 ARG HB3 H 1 1.467 0.002 5 2 . . . . 30 R HB3 . 16901 2
195 . 2 2 6 6 ARG HD2 H 1 3.075 0.003 6 2 . . . . 30 R HD2 . 16901 2
196 . 2 2 6 6 ARG HD3 H 1 3.030 0.001 5 2 . . . . 30 R HD3 . 16901 2
197 . 2 2 6 6 ARG HE H 1 7.075 0.000 0 1 . . . . 30 R HE . 16901 2
198 . 2 2 6 6 ARG HG2 H 1 1.356 0.001 5 2 . . . . 30 R HG2 . 16901 2
199 . 2 2 6 6 ARG HG3 H 1 1.263 0.002 6 2 . . . . 30 R HG3 . 16901 2
200 . 2 2 7 7 GLU H H 1 7.982 0.000 0 1 . . . . 31 E H . 16901 2
201 . 2 2 7 7 GLU HA H 1 4.496 0.001 9 1 . . . . 31 E HA . 16901 2
202 . 2 2 7 7 GLU HB2 H 1 1.875 0.003 3 2 . . . . 31 E HB2 . 16901 2
203 . 2 2 7 7 GLU HB3 H 1 1.821 0.001 2 2 . . . . 31 E HB3 . 16901 2
204 . 2 2 7 7 GLU HG2 H 1 2.186 0.001 4 2 . . . . 31 E HG2 . 16901 2
205 . 2 2 7 7 GLU HG3 H 1 2.106 0.005 3 2 . . . . 31 E HG3 . 16901 2
206 . 2 2 8 8 LYS H H 1 8.663 0.000 0 1 . . . . 32 K H . 16901 2
207 . 2 2 8 8 LYS HA H 1 4.566 0.002 9 1 . . . . 32 K HA . 16901 2
208 . 2 2 8 8 LYS HB2 H 1 1.916 0.001 4 2 . . . . 32 K HB2 . 16901 2
209 . 2 2 8 8 LYS HB3 H 1 1.712 0.001 6 2 . . . . 32 K HB3 . 16901 2
210 . 2 2 8 8 LYS HD2 H 1 1.573 0.000 0 2 . . . . 32 K HD2 . 16901 2
211 . 2 2 8 8 LYS HD3 H 1 1.553 0.000 0 2 . . . . 32 K HD3 . 16901 2
212 . 2 2 8 8 LYS HE2 H 1 2.830 0.001 5 2 . . . . 32 K HE2 . 16901 2
213 . 2 2 8 8 LYS HE3 H 1 2.833 0.000 0 2 . . . . 32 K HE3 . 16901 2
214 . 2 2 8 8 LYS HG2 H 1 1.418 0.002 7 2 . . . . 32 K HG2 . 16901 2
215 . 2 2 8 8 LYS HG3 H 1 1.015 0.001 5 2 . . . . 32 K HG3 . 16901 2
216 . 2 2 9 9 LEU H H 1 7.904 0.000 0 1 . . . . 33 L H . 16901 2
217 . 2 2 9 9 LEU HA H 1 4.457 0.002 10 1 . . . . 33 L HA . 16901 2
218 . 2 2 9 9 LEU HB2 H 1 1.816 0.003 6 2 . . . . 33 L HB2 . 16901 2
219 . 2 2 9 9 LEU HB3 H 1 0.909 0.002 9 2 . . . . 33 L HB3 . 16901 2
220 . 2 2 9 9 LEU HD11 H 1 0.906 0.003 6 2 . . . . 33 L HD11 . 16901 2
221 . 2 2 9 9 LEU HD12 H 1 0.906 0.003 6 2 . . . . 33 L HD11 . 16901 2
222 . 2 2 9 9 LEU HD13 H 1 0.906 0.003 6 2 . . . . 33 L HD11 . 16901 2
223 . 2 2 9 9 LEU HD21 H 1 0.648 0.003 11 2 . . . . 33 L HD21 . 16901 2
224 . 2 2 9 9 LEU HD22 H 1 0.648 0.003 11 2 . . . . 33 L HD21 . 16901 2
225 . 2 2 9 9 LEU HD23 H 1 0.648 0.003 11 2 . . . . 33 L HD21 . 16901 2
226 . 2 2 9 9 LEU HG H 1 1.566 0.002 8 1 . . . . 33 L HG . 16901 2
227 . 2 2 10 10 CYS H H 1 8.596 0.000 0 1 . . . . 34 C H . 16901 2
228 . 2 2 10 10 CYS HA H 1 4.927 0.001 6 1 . . . . 34 C HA . 16901 2
229 . 2 2 10 10 CYS HB2 H 1 3.235 0.002 3 2 . . . . 34 C HB2 . 16901 2
230 . 2 2 10 10 CYS HB3 H 1 2.958 0.000 2 2 . . . . 34 C HB3 . 16901 2
231 . 2 2 11 11 GLY H H 1 9.018 0.000 0 1 . . . . 35 G H . 16901 2
232 . 2 2 11 11 GLY HA2 H 1 3.945 0.000 1 2 . . . . 35 G HA2 . 16901 2
233 . 2 2 11 11 GLY HA3 H 1 3.719 0.000 1 2 . . . . 35 G HA3 . 16901 2
234 . 2 2 12 12 HIS H H 1 7.822 0.000 0 1 . . . . 36 H H . 16901 2
235 . 2 2 12 12 HIS HA H 1 4.305 0.001 4 1 . . . . 36 H HA . 16901 2
236 . 2 2 12 12 HIS HB2 H 1 3.072 0.000 1 2 . . . . 36 H HB2 . 16901 2
237 . 2 2 12 12 HIS HB3 H 1 3.074 0.000 1 2 . . . . 36 H HB3 . 16901 2
238 . 2 2 12 12 HIS HD2 H 1 6.998 0.000 0 1 . . . . 36 H HD2 . 16901 2
239 . 2 2 12 12 HIS HE1 H 1 8.111 0.000 0 1 . . . . 36 H HE1 . 16901 2
240 . 2 2 13 13 HIS H H 1 7.927 0.000 0 1 . . . . 37 H H . 16901 2
241 . 2 2 13 13 HIS HA H 1 4.260 0.001 7 1 . . . . 37 H HA . 16901 2
242 . 2 2 13 13 HIS HB2 H 1 3.466 0.002 5 2 . . . . 37 H HB2 . 16901 2
243 . 2 2 13 13 HIS HB3 H 1 3.215 0.001 5 2 . . . . 37 H HB3 . 16901 2
244 . 2 2 13 13 HIS HD2 H 1 7.220 0.000 0 1 . . . . 37 H HD2 . 16901 2
245 . 2 2 13 13 HIS HE1 H 1 8.227 0.000 0 1 . . . . 37 H HE1 . 16901 2
246 . 2 2 14 14 PHE H H 1 7.050 0.000 0 1 . . . . 38 F H . 16901 2
247 . 2 2 14 14 PHE HA H 1 4.045 0.002 10 1 . . . . 38 F HA . 16901 2
248 . 2 2 14 14 PHE HB2 H 1 3.086 0.006 3 2 . . . . 38 F HB2 . 16901 2
249 . 2 2 14 14 PHE HB3 H 1 2.918 0.002 6 2 . . . . 38 F HB3 . 16901 2
250 . 2 2 14 14 PHE HD1 H 1 6.966 0.000 1 3 . . . . 38 F HD# . 16901 2
251 . 2 2 14 14 PHE HD2 H 1 6.966 0.000 1 3 . . . . 38 F HD# . 16901 2
252 . 2 2 14 14 PHE HE1 H 1 7.140 0.000 1 3 . . . . 38 F HE# . 16901 2
253 . 2 2 14 14 PHE HE2 H 1 7.140 0.000 1 3 . . . . 38 F HE# . 16901 2
254 . 2 2 15 15 VAL H H 1 6.992 0.000 0 1 . . . . 39 V H . 16901 2
255 . 2 2 15 15 VAL HA H 1 3.104 0.001 8 1 . . . . 39 V HA . 16901 2
256 . 2 2 15 15 VAL HB H 1 2.004 0.002 3 1 . . . . 39 V HB . 16901 2
257 . 2 2 15 15 VAL HG11 H 1 1.031 0.000 1 2 . . . . 39 V HG11 . 16901 2
258 . 2 2 15 15 VAL HG12 H 1 1.031 0.000 1 2 . . . . 39 V HG11 . 16901 2
259 . 2 2 15 15 VAL HG13 H 1 1.031 0.000 1 2 . . . . 39 V HG11 . 16901 2
260 . 2 2 15 15 VAL HG21 H 1 0.801 0.000 1 2 . . . . 39 V HG21 . 16901 2
261 . 2 2 15 15 VAL HG22 H 1 0.801 0.000 1 2 . . . . 39 V HG21 . 16901 2
262 . 2 2 15 15 VAL HG23 H 1 0.801 0.000 1 2 . . . . 39 V HG21 . 16901 2
263 . 2 2 16 16 ARG H H 1 7.821 0.000 0 1 . . . . 40 R H . 16901 2
264 . 2 2 16 16 ARG HA H 1 3.744 0.002 7 1 . . . . 40 R HA . 16901 2
265 . 2 2 16 16 ARG HB2 H 1 1.733 0.000 1 2 . . . . 40 R HB2 . 16901 2
266 . 2 2 16 16 ARG HB3 H 1 1.733 0.000 1 2 . . . . 40 R HB3 . 16901 2
267 . 2 2 16 16 ARG HD2 H 1 3.059 0.001 4 2 . . . . 40 R HD2 . 16901 2
268 . 2 2 16 16 ARG HD3 H 1 3.032 0.002 4 2 . . . . 40 R HD3 . 16901 2
269 . 2 2 16 16 ARG HG2 H 1 1.636 0.003 3 2 . . . . 40 R HG2 . 16901 2
270 . 2 2 16 16 ARG HG3 H 1 1.463 0.000 3 2 . . . . 40 R HG3 . 16901 2
271 . 2 2 17 17 ALA H H 1 7.418 0.000 0 1 . . . . 41 A H . 16901 2
272 . 2 2 17 17 ALA HA H 1 3.973 0.002 5 1 . . . . 41 A HA . 16901 2
273 . 2 2 17 17 ALA HB1 H 1 1.345 0.001 10 1 . . . . 41 A HB1 . 16901 2
274 . 2 2 17 17 ALA HB2 H 1 1.345 0.001 10 1 . . . . 41 A HB1 . 16901 2
275 . 2 2 17 17 ALA HB3 H 1 1.345 0.001 10 1 . . . . 41 A HB1 . 16901 2
276 . 2 2 18 18 LEU H H 1 7.764 0.000 0 1 . . . . 42 L H . 16901 2
277 . 2 2 18 18 LEU HA H 1 3.711 0.001 6 1 . . . . 42 L HA . 16901 2
278 . 2 2 18 18 LEU HB2 H 1 1.398 0.001 4 2 . . . . 42 L HB2 . 16901 2
279 . 2 2 18 18 LEU HB3 H 1 0.935 0.004 4 2 . . . . 42 L HB3 . 16901 2
280 . 2 2 18 18 LEU HD11 H 1 0.654 0.000 1 2 . . . . 42 L HD11 . 16901 2
281 . 2 2 18 18 LEU HD12 H 1 0.654 0.000 1 2 . . . . 42 L HD11 . 16901 2
282 . 2 2 18 18 LEU HD13 H 1 0.654 0.000 1 2 . . . . 42 L HD11 . 16901 2
283 . 2 2 18 18 LEU HD21 H 1 0.657 0.001 4 2 . . . . 42 L HD21 . 16901 2
284 . 2 2 18 18 LEU HD22 H 1 0.657 0.001 4 2 . . . . 42 L HD21 . 16901 2
285 . 2 2 18 18 LEU HD23 H 1 0.657 0.001 4 2 . . . . 42 L HD21 . 16901 2
286 . 2 2 18 18 LEU HG H 1 1.215 0.002 6 1 . . . . 42 L HG . 16901 2
287 . 2 2 19 19 VAL H H 1 7.954 0.000 0 1 . . . . 43 V H . 16901 2
288 . 2 2 19 19 VAL HA H 1 3.288 0.002 7 1 . . . . 43 V HA . 16901 2
289 . 2 2 19 19 VAL HB H 1 1.967 0.001 4 1 . . . . 43 V HB . 16901 2
290 . 2 2 19 19 VAL HG11 H 1 0.829 0.001 3 2 . . . . 43 V HG11 . 16901 2
291 . 2 2 19 19 VAL HG12 H 1 0.829 0.001 3 2 . . . . 43 V HG11 . 16901 2
292 . 2 2 19 19 VAL HG13 H 1 0.829 0.001 3 2 . . . . 43 V HG11 . 16901 2
293 . 2 2 19 19 VAL HG21 H 1 0.712 0.002 5 2 . . . . 43 V HG21 . 16901 2
294 . 2 2 19 19 VAL HG22 H 1 0.712 0.002 5 2 . . . . 43 V HG21 . 16901 2
295 . 2 2 19 19 VAL HG23 H 1 0.712 0.002 5 2 . . . . 43 V HG21 . 16901 2
296 . 2 2 20 20 ARG H H 1 7.425 0.000 0 1 . . . . 44 R H . 16901 2
297 . 2 2 20 20 ARG HA H 1 3.933 0.001 6 1 . . . . 44 R HA . 16901 2
298 . 2 2 20 20 ARG HB2 H 1 1.927 0.002 5 2 . . . . 44 R HB2 . 16901 2
299 . 2 2 20 20 ARG HB3 H 1 1.826 0.001 5 2 . . . . 44 R HB3 . 16901 2
300 . 2 2 20 20 ARG HD2 H 1 3.168 0.002 7 2 . . . . 44 R HD2 . 16901 2
301 . 2 2 20 20 ARG HD3 H 1 3.094 0.003 7 2 . . . . 44 R HD3 . 16901 2
302 . 2 2 20 20 ARG HE H 1 7.187 0.000 0 1 . . . . 44 R HE . 16901 2
303 . 2 2 20 20 ARG HG2 H 1 1.624 0.003 3 2 . . . . 44 R HG2 . 16901 2
304 . 2 2 20 20 ARG HG3 H 1 1.482 0.002 3 2 . . . . 44 R HG3 . 16901 2
305 . 2 2 21 21 VAL H H 1 8.065 0.000 0 1 . . . . 45 V H . 16901 2
306 . 2 2 21 21 VAL HA H 1 3.846 0.001 4 1 . . . . 45 V HA . 16901 2
307 . 2 2 21 21 VAL HB H 1 2.012 0.002 3 1 . . . . 45 V HB . 16901 2
308 . 2 2 21 21 VAL HG11 H 1 1.037 0.001 3 2 . . . . 45 V HG11 . 16901 2
309 . 2 2 21 21 VAL HG12 H 1 1.037 0.001 3 2 . . . . 45 V HG11 . 16901 2
310 . 2 2 21 21 VAL HG13 H 1 1.037 0.001 3 2 . . . . 45 V HG11 . 16901 2
311 . 2 2 21 21 VAL HG21 H 1 0.903 0.001 5 2 . . . . 45 V HG21 . 16901 2
312 . 2 2 21 21 VAL HG22 H 1 0.903 0.001 5 2 . . . . 45 V HG21 . 16901 2
313 . 2 2 21 21 VAL HG23 H 1 0.903 0.001 5 2 . . . . 45 V HG21 . 16901 2
314 . 2 2 22 22 CYS H H 1 8.488 0.000 0 1 . . . . 46 C H . 16901 2
315 . 2 2 22 22 CYS HA H 1 4.714 0.002 3 1 . . . . 46 C HA . 16901 2
316 . 2 2 22 22 CYS HB2 H 1 3.048 0.003 3 2 . . . . 46 C HB2 . 16901 2
317 . 2 2 22 22 CYS HB3 H 1 2.686 0.001 5 2 . . . . 46 C HB3 . 16901 2
318 . 2 2 23 23 GLY H H 1 7.747 0.000 0 1 . . . . 47 G H . 16901 2
319 . 2 2 23 23 GLY HA2 H 1 3.909 0.000 1 2 . . . . 47 G HA2 . 16901 2
320 . 2 2 23 23 GLY HA3 H 1 3.836 0.000 1 2 . . . . 47 G HA3 . 16901 2
321 . 2 2 24 24 GLY H H 1 7.988 0.000 0 1 . . . . 48 G H . 16901 2
322 . 2 2 24 24 GLY HA2 H 1 4.089 0.001 3 2 . . . . 48 G HA2 . 16901 2
323 . 2 2 24 24 GLY HA3 H 1 3.944 0.001 3 2 . . . . 48 G HA3 . 16901 2
324 . 2 2 25 25 PRO HA H 1 4.269 0.002 2 1 . . . . 49 P HA . 16901 2
325 . 2 2 25 25 PRO HB2 H 1 2.064 0.003 3 2 . . . . 49 P HB2 . 16901 2
326 . 2 2 25 25 PRO HB3 H 1 1.652 0.001 3 2 . . . . 49 P HB3 . 16901 2
327 . 2 2 25 25 PRO HD2 H 1 3.559 0.001 8 2 . . . . 49 P HD2 . 16901 2
328 . 2 2 25 25 PRO HD3 H 1 3.478 0.003 8 2 . . . . 49 P HD3 . 16901 2
329 . 2 2 25 25 PRO HG2 H 1 1.872 0.001 2 2 . . . . 49 P HG2 . 16901 2
330 . 2 2 25 25 PRO HG3 H 1 1.845 0.001 2 2 . . . . 49 P HG3 . 16901 2
331 . 2 2 26 26 ARG HA H 1 4.150 0.001 5 1 . . . . 50 R HA . 16901 2
332 . 2 2 26 26 ARG HB2 H 1 1.629 0.001 2 2 . . . . 50 R HB2 . 16901 2
333 . 2 2 26 26 ARG HB3 H 1 1.560 0.002 2 2 . . . . 50 R HB3 . 16901 2
334 . 2 2 26 26 ARG HD2 H 1 2.994 0.000 1 2 . . . . 50 R HD2 . 16901 2
335 . 2 2 26 26 ARG HD3 H 1 2.994 0.000 1 2 . . . . 50 R HD3 . 16901 2
336 . 2 2 26 26 ARG HG2 H 1 1.357 0.001 2 2 . . . . 50 R HG2 . 16901 2
337 . 2 2 27 27 TRP H H 1 7.583 0.000 0 1 . . . . 51 W H . 16901 2
338 . 2 2 27 27 TRP HA H 1 4.573 0.002 4 1 . . . . 51 W HA . 16901 2
339 . 2 2 27 27 TRP HB2 H 1 3.245 0.002 2 2 . . . . 51 W HB2 . 16901 2
340 . 2 2 27 27 TRP HB3 H 1 3.131 0.001 2 2 . . . . 51 W HB3 . 16901 2
341 . 2 2 27 27 TRP HD1 H 1 7.165 0.000 1 1 . . . . 51 W HD1 . 16901 2
342 . 2 2 27 27 TRP HE1 H 1 9.931 0.000 0 1 . . . . 51 W HE1 . 16901 2
343 . 2 2 27 27 TRP HE3 H 1 7.447 0.000 2 1 . . . . 51 W HE3 . 16901 2
344 . 2 2 27 27 TRP HH2 H 1 7.014 0.000 1 1 . . . . 51 W HH2 . 16901 2
345 . 2 2 27 27 TRP HZ2 H 1 7.311 0.000 1 1 . . . . 51 W HZ2 . 16901 2
346 . 2 2 27 27 TRP HZ3 H 1 6.950 0.000 1 1 . . . . 51 W HZ3 . 16901 2
347 . 2 2 28 28 SER HA H 1 4.322 0.002 3 1 . . . . 52 S HA . 16901 2
348 . 2 2 28 28 SER HB2 H 1 3.743 0.001 4 2 . . . . 52 S HB2 . 16901 2
349 . 2 2 28 28 SER HB3 H 1 3.560 0.003 4 2 . . . . 52 S HB3 . 16901 2
350 . 2 2 29 29 THR HA H 1 4.273 0.003 4 1 . . . . 53 T HA . 16901 2
351 . 2 2 29 29 THR HB H 1 4.224 0.000 1 1 . . . . 53 T HB . 16901 2
352 . 2 2 29 29 THR HG21 H 1 1.125 0.002 4 1 . . . . 53 T HG21 . 16901 2
353 . 2 2 29 29 THR HG22 H 1 1.125 0.002 4 1 . . . . 53 T HG21 . 16901 2
354 . 2 2 29 29 THR HG23 H 1 1.125 0.002 4 1 . . . . 53 T HG21 . 16901 2
355 . 2 2 30 30 GLU HA H 1 4.262 0.004 3 1 . . . . 54 E HA . 16901 2
356 . 2 2 30 30 GLU HB2 H 1 2.025 0.000 1 2 . . . . 54 E HB2 . 16901 2
357 . 2 2 30 30 GLU HB3 H 1 1.850 0.000 1 2 . . . . 54 E HB3 . 16901 2
358 . 2 2 30 30 GLU HG2 H 1 2.237 0.001 2 2 . . . . 54 E HG2 . 16901 2
359 . 2 2 31 31 ALA HA H 1 4.044 0.000 1 1 . . . . 55 A HA . 16901 2
360 . 2 2 31 31 ALA HB1 H 1 1.260 0.000 1 1 . . . . 55 A HB1 . 16901 2
361 . 2 2 31 31 ALA HB2 H 1 1.260 0.000 1 1 . . . . 55 A HB1 . 16901 2
362 . 2 2 31 31 ALA HB3 H 1 1.260 0.000 1 1 . . . . 55 A HB1 . 16901 2
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