Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 11419
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err 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' 1 $sample_1 isotropic 11419 1
2 '2D 1H-13C HSQC' 1 $sample_1 isotropic 11419 1
5 '3D HNCO' 1 $sample_1 isotropic 11419 1
7 '3D H(CCO)NH' 1 $sample_1 isotropic 11419 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 SER HA H 1 4.617 0.02 . 1 . . . . 2 SER HA . 11419 1
2 . 1 1 2 2 SER HB2 H 1 4.033 0.02 . 1 . . . . 2 SER HB2 . 11419 1
3 . 1 1 2 2 SER HB3 H 1 4.033 0.02 . 1 . . . . 2 SER HB3 . 11419 1
4 . 1 1 2 2 SER C C 13 174.464 0.2 . 1 . . . . 2 SER C . 11419 1
5 . 1 1 2 2 SER CA C 13 58.407 0.2 . 1 . . . . 2 SER CA . 11419 1
6 . 1 1 2 2 SER CB C 13 64.122 0.2 . 1 . . . . 2 SER CB . 11419 1
7 . 1 1 3 3 ASP H H 1 9.079 0.02 . 1 . . . . 3 ASP H . 11419 1
8 . 1 1 3 3 ASP HB2 H 1 2.901 0.02 . 1 . . . . 3 ASP HB2 . 11419 1
9 . 1 1 3 3 ASP HB3 H 1 2.901 0.02 . 1 . . . . 3 ASP HB3 . 11419 1
10 . 1 1 3 3 ASP C C 13 176.900 0.2 . 1 . . . . 3 ASP C . 11419 1
11 . 1 1 3 3 ASP CA C 13 55.302 0.2 . 1 . . . . 3 ASP CA . 11419 1
12 . 1 1 3 3 ASP CB C 13 41.363 0.2 . 1 . . . . 3 ASP CB . 11419 1
13 . 1 1 3 3 ASP N N 15 123.013 0.2 . 1 . . . . 3 ASP N . 11419 1
14 . 1 1 4 4 ALA H H 1 8.561 0.02 . 1 . . . . 4 ALA H . 11419 1
15 . 1 1 4 4 ALA HA H 1 4.388 0.02 . 1 . . . . 4 ALA HA . 11419 1
16 . 1 1 4 4 ALA HB1 H 1 1.598 0.02 . 1 . . . . 4 ALA MB . 11419 1
17 . 1 1 4 4 ALA HB2 H 1 1.598 0.02 . 1 . . . . 4 ALA MB . 11419 1
18 . 1 1 4 4 ALA HB3 H 1 1.598 0.02 . 1 . . . . 4 ALA MB . 11419 1
19 . 1 1 4 4 ALA C C 13 178.689 0.2 . 1 . . . . 4 ALA C . 11419 1
20 . 1 1 4 4 ALA CA C 13 54.323 0.2 . 1 . . . . 4 ALA CA . 11419 1
21 . 1 1 4 4 ALA CB C 13 18.966 0.2 . 1 . . . . 4 ALA CB . 11419 1
22 . 1 1 4 4 ALA N N 15 123.997 0.2 . 1 . . . . 4 ALA N . 11419 1
23 . 1 1 5 5 VAL H H 1 8.049 0.02 . 1 . . . . 5 VAL H . 11419 1
24 . 1 1 5 5 VAL HA H 1 4.024 0.02 . 1 . . . . 5 VAL HA . 11419 1
25 . 1 1 5 5 VAL HB H 1 2.226 0.02 . 1 . . . . 5 VAL HB . 11419 1
26 . 1 1 5 5 VAL HG11 H 1 1.093 0.02 . 1 . . . . 5 VAL MG1 . 11419 1
27 . 1 1 5 5 VAL HG12 H 1 1.093 0.02 . 1 . . . . 5 VAL MG1 . 11419 1
28 . 1 1 5 5 VAL HG13 H 1 1.093 0.02 . 1 . . . . 5 VAL MG1 . 11419 1
29 . 1 1 5 5 VAL HG21 H 1 0.979 0.02 . 1 . . . . 5 VAL MG2 . 11419 1
30 . 1 1 5 5 VAL HG22 H 1 0.979 0.02 . 1 . . . . 5 VAL MG2 . 11419 1
31 . 1 1 5 5 VAL HG23 H 1 0.979 0.02 . 1 . . . . 5 VAL MG2 . 11419 1
32 . 1 1 5 5 VAL C C 13 177.106 0.2 . 1 . . . . 5 VAL C . 11419 1
33 . 1 1 5 5 VAL CA C 13 64.565 0.2 . 1 . . . . 5 VAL CA . 11419 1
34 . 1 1 5 5 VAL CB C 13 32.301 0.2 . 1 . . . . 5 VAL CB . 11419 1
35 . 1 1 5 5 VAL CG1 C 13 21.567 0.2 . 1 . . . . 5 VAL CG1 . 11419 1
36 . 1 1 5 5 VAL CG2 C 13 21.034 0.2 . 1 . . . . 5 VAL CG2 . 11419 1
37 . 1 1 5 5 VAL N N 15 117.743 0.2 . 1 . . . . 5 VAL N . 11419 1
38 . 1 1 6 6 PHE H H 1 8.340 0.02 . 1 . . . . 6 PHE H . 11419 1
39 . 1 1 6 6 PHE HA H 1 4.660 0.02 . 1 . . . . 6 PHE HA . 11419 1
40 . 1 1 6 6 PHE HB2 H 1 3.351 0.02 . 1 . . . . 6 PHE HB2 . 11419 1
41 . 1 1 6 6 PHE HB3 H 1 3.351 0.02 . 1 . . . . 6 PHE HB3 . 11419 1
42 . 1 1 6 6 PHE HD1 H 1 7.593 0.02 . 3 . . . . 6 PHE HD1 . 11419 1
43 . 1 1 6 6 PHE HD2 H 1 7.593 0.02 . 3 . . . . 6 PHE HD2 . 11419 1
44 . 1 1 6 6 PHE HE1 H 1 7.319 0.02 . 3 . . . . 6 PHE HE1 . 11419 1
45 . 1 1 6 6 PHE HE2 H 1 7.319 0.02 . 3 . . . . 6 PHE HE2 . 11419 1
46 . 1 1 6 6 PHE CA C 13 59.865 0.2 . 1 . . . . 6 PHE CA . 11419 1
47 . 1 1 6 6 PHE CB C 13 39.345 0.2 . 1 . . . . 6 PHE CB . 11419 1
48 . 1 1 6 6 PHE CD1 C 13 131.580 0.2 . 3 . . . . 6 PHE CD1 . 11419 1
49 . 1 1 6 6 PHE CD2 C 13 131.580 0.2 . 3 . . . . 6 PHE CD2 . 11419 1
50 . 1 1 6 6 PHE CE1 C 13 129.823 0.2 . 3 . . . . 6 PHE CE1 . 11419 1
51 . 1 1 6 6 PHE CE2 C 13 129.823 0.2 . 3 . . . . 6 PHE CE2 . 11419 1
52 . 1 1 6 6 PHE N N 15 120.911 0.2 . 1 . . . . 6 PHE N . 11419 1
53 . 1 1 7 7 THR H H 1 8.422 0.02 . 1 . . . . 7 THR H . 11419 1
54 . 1 1 7 7 THR HA H 1 4.263 0.02 . 1 . . . . 7 THR HA . 11419 1
55 . 1 1 7 7 THR HB H 1 4.455 0.02 . 1 . . . . 7 THR HB . 11419 1
56 . 1 1 7 7 THR HG21 H 1 1.453 0.02 . 1 . . . . 7 THR MG . 11419 1
57 . 1 1 7 7 THR HG22 H 1 1.453 0.02 . 1 . . . . 7 THR MG . 11419 1
58 . 1 1 7 7 THR HG23 H 1 1.453 0.02 . 1 . . . . 7 THR MG . 11419 1
59 . 1 1 7 7 THR C C 13 175.657 0.2 . 1 . . . . 7 THR C . 11419 1
60 . 1 1 7 7 THR CA C 13 64.811 0.2 . 1 . . . . 7 THR CA . 11419 1
61 . 1 1 7 7 THR CB C 13 69.369 0.2 . 1 . . . . 7 THR CB . 11419 1
62 . 1 1 7 7 THR CG2 C 13 21.830 0.2 . 1 . . . . 7 THR CG2 . 11419 1
63 . 1 1 7 7 THR N N 15 114.895 0.2 . 1 . . . . 7 THR N . 11419 1
64 . 1 1 8 8 ASP H H 1 8.621 0.02 . 1 . . . . 8 ASP H . 11419 1
65 . 1 1 8 8 ASP HA H 1 4.707 0.02 . 1 . . . . 8 ASP HA . 11419 1
66 . 1 1 8 8 ASP HB2 H 1 2.923 0.02 . 1 . . . . 8 ASP HB2 . 11419 1
67 . 1 1 8 8 ASP HB3 H 1 2.923 0.02 . 1 . . . . 8 ASP HB3 . 11419 1
68 . 1 1 8 8 ASP C C 13 177.422 0.2 . 1 . . . . 8 ASP C . 11419 1
69 . 1 1 8 8 ASP CA C 13 56.518 0.2 . 1 . . . . 8 ASP CA . 11419 1
70 . 1 1 8 8 ASP CB C 13 41.686 0.2 . 1 . . . . 8 ASP CB . 11419 1
71 . 1 1 8 8 ASP N N 15 123.138 0.2 . 1 . . . . 8 ASP N . 11419 1
72 . 1 1 9 9 ASN H H 1 8.732 0.02 . 1 . . . . 9 ASN H . 11419 1
73 . 1 1 9 9 ASN HA H 1 4.576 0.02 . 1 . . . . 9 ASN HA . 11419 1
74 . 1 1 9 9 ASN HB2 H 1 2.987 0.02 . 2 . . . . 9 ASN HB2 . 11419 1
75 . 1 1 9 9 ASN HB3 H 1 2.879 0.02 . 2 . . . . 9 ASN HB3 . 11419 1
76 . 1 1 9 9 ASN HD21 H 1 7.950 0.02 . 2 . . . . 9 ASN HD21 . 11419 1
77 . 1 1 9 9 ASN HD22 H 1 7.237 0.02 . 2 . . . . 9 ASN HD22 . 11419 1
78 . 1 1 9 9 ASN C C 13 177.361 0.2 . 1 . . . . 9 ASN C . 11419 1
79 . 1 1 9 9 ASN CA C 13 56.419 0.2 . 1 . . . . 9 ASN CA . 11419 1
80 . 1 1 9 9 ASN CB C 13 38.540 0.2 . 1 . . . . 9 ASN CB . 11419 1
81 . 1 1 9 9 ASN N N 15 118.427 0.2 . 1 . . . . 9 ASN N . 11419 1
82 . 1 1 9 9 ASN ND2 N 15 112.064 0.2 . 1 . . . . 9 ASN ND2 . 11419 1
83 . 1 1 10 10 TYR H H 1 8.696 0.02 . 1 . . . . 10 TYR H . 11419 1
84 . 1 1 10 10 TYR HA H 1 4.323 0.02 . 1 . . . . 10 TYR HA . 11419 1
85 . 1 1 10 10 TYR HB2 H 1 3.177 0.02 . 1 . . . . 10 TYR HB2 . 11419 1
86 . 1 1 10 10 TYR HB3 H 1 3.177 0.02 . 1 . . . . 10 TYR HB3 . 11419 1
87 . 1 1 10 10 TYR HD1 H 1 7.368 0.02 . 3 . . . . 10 TYR HD1 . 11419 1
88 . 1 1 10 10 TYR HD2 H 1 7.368 0.02 . 3 . . . . 10 TYR HD2 . 11419 1
89 . 1 1 10 10 TYR HE1 H 1 7.113 0.02 . 3 . . . . 10 TYR HE1 . 11419 1
90 . 1 1 10 10 TYR HE2 H 1 7.113 0.02 . 3 . . . . 10 TYR HE2 . 11419 1
91 . 1 1 10 10 TYR C C 13 177.653 0.2 . 1 . . . . 10 TYR C . 11419 1
92 . 1 1 10 10 TYR CA C 13 61.727 0.2 . 1 . . . . 10 TYR CA . 11419 1
93 . 1 1 10 10 TYR CB C 13 38.185 0.2 . 1 . . . . 10 TYR CB . 11419 1
94 . 1 1 10 10 TYR CD1 C 13 132.982 0.2 . 3 . . . . 10 TYR CD1 . 11419 1
95 . 1 1 10 10 TYR CD2 C 13 132.982 0.2 . 3 . . . . 10 TYR CD2 . 11419 1
96 . 1 1 10 10 TYR CE1 C 13 118.061 0.2 . 3 . . . . 10 TYR CE1 . 11419 1
97 . 1 1 10 10 TYR CE2 C 13 118.061 0.2 . 3 . . . . 10 TYR CE2 . 11419 1
98 . 1 1 10 10 TYR N N 15 120.802 0.2 . 1 . . . . 10 TYR N . 11419 1
99 . 1 1 11 11 THR H H 1 8.652 0.02 . 1 . . . . 11 THR H . 11419 1
100 . 1 1 11 11 THR HA H 1 3.930 0.02 . 1 . . . . 11 THR HA . 11419 1
101 . 1 1 11 11 THR HB H 1 4.503 0.02 . 1 . . . . 11 THR HB . 11419 1
102 . 1 1 11 11 THR HG21 H 1 1.448 0.02 . 1 . . . . 11 THR MG . 11419 1
103 . 1 1 11 11 THR HG22 H 1 1.448 0.02 . 1 . . . . 11 THR MG . 11419 1
104 . 1 1 11 11 THR HG23 H 1 1.448 0.02 . 1 . . . . 11 THR MG . 11419 1
105 . 1 1 11 11 THR C C 13 176.749 0.2 . 1 . . . . 11 THR C . 11419 1
106 . 1 1 11 11 THR CA C 13 67.305 0.2 . 1 . . . . 11 THR CA . 11419 1
107 . 1 1 11 11 THR CB C 13 68.627 0.2 . 1 . . . . 11 THR CB . 11419 1
108 . 1 1 11 11 THR CG2 C 13 21.469 0.2 . 1 . . . . 11 THR CG2 . 11419 1
109 . 1 1 11 11 THR N N 15 116.997 0.2 . 1 . . . . 11 THR N . 11419 1
110 . 1 1 12 12 ARG H H 1 8.324 0.02 . 1 . . . . 12 ARG H . 11419 1
111 . 1 1 12 12 ARG HA H 1 4.066 0.02 . 1 . . . . 12 ARG HA . 11419 1
112 . 1 1 12 12 ARG HB2 H 1 2.081 0.02 . 1 . . . . 12 ARG HB2 . 11419 1
113 . 1 1 12 12 ARG HB3 H 1 2.081 0.02 . 1 . . . . 12 ARG HB3 . 11419 1
114 . 1 1 12 12 ARG HD2 H 1 3.379 0.02 . 1 . . . . 12 ARG HD2 . 11419 1
115 . 1 1 12 12 ARG HD3 H 1 3.379 0.02 . 1 . . . . 12 ARG HD3 . 11419 1
116 . 1 1 12 12 ARG HG2 H 1 1.720 0.02 . 1 . . . . 12 ARG HG2 . 11419 1
117 . 1 1 12 12 ARG HG3 H 1 1.720 0.02 . 1 . . . . 12 ARG HG3 . 11419 1
118 . 1 1 12 12 ARG C C 13 178.807 0.2 . 1 . . . . 12 ARG C . 11419 1
119 . 1 1 12 12 ARG CA C 13 60.452 0.2 . 1 . . . . 12 ARG CA . 11419 1
120 . 1 1 12 12 ARG CB C 13 30.264 0.2 . 1 . . . . 12 ARG CB . 11419 1
121 . 1 1 12 12 ARG CD C 13 43.438 0.2 . 1 . . . . 12 ARG CD . 11419 1
122 . 1 1 12 12 ARG CG C 13 28.520 0.2 . 1 . . . . 12 ARG CG . 11419 1
123 . 1 1 12 12 ARG N N 15 121.474 0.2 . 1 . . . . 12 ARG N . 11419 1
124 . 1 1 13 13 LEU H H 1 8.273 0.02 . 1 . . . . 13 LEU H . 11419 1
125 . 1 1 13 13 LEU HA H 1 4.284 0.02 . 1 . . . . 13 LEU HA . 11419 1
126 . 1 1 13 13 LEU HB2 H 1 1.870 0.02 . 1 . . . . 13 LEU HB2 . 11419 1
127 . 1 1 13 13 LEU HB3 H 1 1.870 0.02 . 1 . . . . 13 LEU HB3 . 11419 1
128 . 1 1 13 13 LEU HD11 H 1 1.094 0.02 . 1 . . . . 13 LEU MD1 . 11419 1
129 . 1 1 13 13 LEU HD12 H 1 1.094 0.02 . 1 . . . . 13 LEU MD1 . 11419 1
130 . 1 1 13 13 LEU HD13 H 1 1.094 0.02 . 1 . . . . 13 LEU MD1 . 11419 1
131 . 1 1 13 13 LEU HD21 H 1 1.094 0.02 . 1 . . . . 13 LEU MD2 . 11419 1
132 . 1 1 13 13 LEU HD22 H 1 1.094 0.02 . 1 . . . . 13 LEU MD2 . 11419 1
133 . 1 1 13 13 LEU HD23 H 1 1.094 0.02 . 1 . . . . 13 LEU MD2 . 11419 1
134 . 1 1 13 13 LEU HG H 1 1.835 0.02 . 1 . . . . 13 LEU HG . 11419 1
135 . 1 1 13 13 LEU C C 13 179.272 0.2 . 1 . . . . 13 LEU C . 11419 1
136 . 1 1 13 13 LEU CA C 13 58.202 0.2 . 1 . . . . 13 LEU CA . 11419 1
137 . 1 1 13 13 LEU CB C 13 41.820 0.2 . 1 . . . . 13 LEU CB . 11419 1
138 . 1 1 13 13 LEU CD1 C 13 24.695 0.2 . 1 . . . . 13 LEU CD1 . 11419 1
139 . 1 1 13 13 LEU CD2 C 13 24.695 0.2 . 1 . . . . 13 LEU CD2 . 11419 1
140 . 1 1 13 13 LEU CG C 13 27.650 0.2 . 1 . . . . 13 LEU CG . 11419 1
141 . 1 1 13 13 LEU N N 15 120.759 0.2 . 1 . . . . 13 LEU N . 11419 1
142 . 1 1 14 14 ARG H H 1 8.484 0.02 . 1 . . . . 14 ARG H . 11419 1
143 . 1 1 14 14 ARG HA H 1 4.095 0.02 . 1 . . . . 14 ARG HA . 11419 1
144 . 1 1 14 14 ARG HB2 H 1 1.995 0.02 . 1 . . . . 14 ARG HB2 . 11419 1
145 . 1 1 14 14 ARG HB3 H 1 1.995 0.02 . 1 . . . . 14 ARG HB3 . 11419 1
146 . 1 1 14 14 ARG HD2 H 1 3.250 0.02 . 1 . . . . 14 ARG HD2 . 11419 1
147 . 1 1 14 14 ARG HD3 H 1 3.250 0.02 . 1 . . . . 14 ARG HD3 . 11419 1
148 . 1 1 14 14 ARG HG2 H 1 1.610 0.02 . 1 . . . . 14 ARG HG2 . 11419 1
149 . 1 1 14 14 ARG HG3 H 1 1.610 0.02 . 1 . . . . 14 ARG HG3 . 11419 1
150 . 1 1 14 14 ARG C C 13 179.771 0.2 . 1 . . . . 14 ARG C . 11419 1
151 . 1 1 14 14 ARG CA C 13 59.596 0.2 . 1 . . . . 14 ARG CA . 11419 1
152 . 1 1 14 14 ARG CB C 13 29.512 0.2 . 1 . . . . 14 ARG CB . 11419 1
153 . 1 1 14 14 ARG CD C 13 43.166 0.2 . 1 . . . . 14 ARG CD . 11419 1
154 . 1 1 14 14 ARG CG C 13 27.351 0.2 . 1 . . . . 14 ARG CG . 11419 1
155 . 1 1 14 14 ARG N N 15 118.881 0.2 . 1 . . . . 14 ARG N . 11419 1
156 . 1 1 15 15 LYS H H 1 8.349 0.02 . 1 . . . . 15 LYS H . 11419 1
157 . 1 1 15 15 LYS HA H 1 4.247 0.02 . 1 . . . . 15 LYS HA . 11419 1
158 . 1 1 15 15 LYS HB2 H 1 2.127 0.02 . 1 . . . . 15 LYS HB2 . 11419 1
159 . 1 1 15 15 LYS HB3 H 1 2.127 0.02 . 1 . . . . 15 LYS HB3 . 11419 1
160 . 1 1 15 15 LYS HD2 H 1 1.834 0.02 . 1 . . . . 15 LYS HD2 . 11419 1
161 . 1 1 15 15 LYS HD3 H 1 1.834 0.02 . 1 . . . . 15 LYS HD3 . 11419 1
162 . 1 1 15 15 LYS HE2 H 1 3.051 0.02 . 1 . . . . 15 LYS HE2 . 11419 1
163 . 1 1 15 15 LYS HE3 H 1 3.051 0.02 . 1 . . . . 15 LYS HE3 . 11419 1
164 . 1 1 15 15 LYS HG2 H 1 1.602 0.02 . 1 . . . . 15 LYS HG2 . 11419 1
165 . 1 1 15 15 LYS HG3 H 1 1.602 0.02 . 1 . . . . 15 LYS HG3 . 11419 1
166 . 1 1 15 15 LYS C C 13 178.558 0.2 . 1 . . . . 15 LYS C . 11419 1
167 . 1 1 15 15 LYS CA C 13 59.921 0.2 . 1 . . . . 15 LYS CA . 11419 1
168 . 1 1 15 15 LYS CB C 13 32.428 0.2 . 1 . . . . 15 LYS CB . 11419 1
169 . 1 1 15 15 LYS CD C 13 29.804 0.2 . 1 . . . . 15 LYS CD . 11419 1
170 . 1 1 15 15 LYS CE C 13 42.219 0.2 . 1 . . . . 15 LYS CE . 11419 1
171 . 1 1 15 15 LYS CG C 13 25.706 0.2 . 1 . . . . 15 LYS CG . 11419 1
172 . 1 1 15 15 LYS N N 15 120.298 0.2 . 1 . . . . 15 LYS N . 11419 1
173 . 1 1 16 16 GLN H H 1 8.442 0.02 . 1 . . . . 16 GLN H . 11419 1
174 . 1 1 16 16 GLN HA H 1 4.180 0.02 . 1 . . . . 16 GLN HA . 11419 1
175 . 1 1 16 16 GLN HB2 H 1 2.510 0.02 . 2 . . . . 16 GLN HB2 . 11419 1
176 . 1 1 16 16 GLN HB3 H 1 2.321 0.02 . 2 . . . . 16 GLN HB3 . 11419 1
177 . 1 1 16 16 GLN HE21 H 1 7.707 0.02 . 2 . . . . 16 GLN HE21 . 11419 1
178 . 1 1 16 16 GLN HE22 H 1 7.049 0.02 . 2 . . . . 16 GLN HE22 . 11419 1
179 . 1 1 16 16 GLN HG2 H 1 2.743 0.02 . 2 . . . . 16 GLN HG2 . 11419 1
180 . 1 1 16 16 GLN HG3 H 1 2.546 0.02 . 2 . . . . 16 GLN HG3 . 11419 1
181 . 1 1 16 16 GLN C C 13 179.253 0.2 . 1 . . . . 16 GLN C . 11419 1
182 . 1 1 16 16 GLN CA C 13 59.431 0.2 . 1 . . . . 16 GLN CA . 11419 1
183 . 1 1 16 16 GLN CB C 13 28.690 0.2 . 1 . . . . 16 GLN CB . 11419 1
184 . 1 1 16 16 GLN CG C 13 34.337 0.2 . 1 . . . . 16 GLN CG . 11419 1
185 . 1 1 16 16 GLN N N 15 118.778 0.2 . 1 . . . . 16 GLN N . 11419 1
186 . 1 1 17 17 MET H H 1 8.694 0.02 . 1 . . . . 17 MET H . 11419 1
187 . 1 1 17 17 MET HA H 1 4.355 0.02 . 1 . . . . 17 MET HA . 11419 1
188 . 1 1 17 17 MET HB2 H 1 2.358 0.02 . 1 . . . . 17 MET HB2 . 11419 1
189 . 1 1 17 17 MET HB3 H 1 2.358 0.02 . 1 . . . . 17 MET HB3 . 11419 1
190 . 1 1 17 17 MET HG2 H 1 2.918 0.02 . 2 . . . . 17 MET HG2 . 11419 1
191 . 1 1 17 17 MET HG3 H 1 2.839 0.02 . 2 . . . . 17 MET HG3 . 11419 1
192 . 1 1 17 17 MET C C 13 178.384 0.2 . 1 . . . . 17 MET C . 11419 1
193 . 1 1 17 17 MET CA C 13 58.616 0.2 . 1 . . . . 17 MET CA . 11419 1
194 . 1 1 17 17 MET CB C 13 32.531 0.2 . 1 . . . . 17 MET CB . 11419 1
195 . 1 1 17 17 MET CG C 13 32.531 0.2 . 1 . . . . 17 MET CG . 11419 1
196 . 1 1 17 17 MET N N 15 118.273 0.2 . 1 . . . . 17 MET N . 11419 1
197 . 1 1 18 18 ALA H H 1 8.209 0.02 . 1 . . . . 18 ALA H . 11419 1
198 . 1 1 18 18 ALA HA H 1 4.343 0.02 . 1 . . . . 18 ALA HA . 11419 1
199 . 1 1 18 18 ALA HB1 H 1 1.769 0.02 . 1 . . . . 18 ALA MB . 11419 1
200 . 1 1 18 18 ALA HB2 H 1 1.769 0.02 . 1 . . . . 18 ALA MB . 11419 1
201 . 1 1 18 18 ALA HB3 H 1 1.769 0.02 . 1 . . . . 18 ALA MB . 11419 1
202 . 1 1 18 18 ALA C C 13 180.649 0.2 . 1 . . . . 18 ALA C . 11419 1
203 . 1 1 18 18 ALA CA C 13 55.390 0.2 . 1 . . . . 18 ALA CA . 11419 1
204 . 1 1 18 18 ALA CB C 13 18.169 0.2 . 1 . . . . 18 ALA CB . 11419 1
205 . 1 1 18 18 ALA N N 15 122.780 0.2 . 1 . . . . 18 ALA N . 11419 1
206 . 1 1 19 19 VAL H H 1 8.385 0.02 . 1 . . . . 19 VAL H . 11419 1
207 . 1 1 19 19 VAL HA H 1 3.905 0.02 . 1 . . . . 19 VAL HA . 11419 1
208 . 1 1 19 19 VAL HB H 1 2.421 0.02 . 1 . . . . 19 VAL HB . 11419 1
209 . 1 1 19 19 VAL HG11 H 1 1.207 0.02 . 2 . . . . 19 VAL MG1 . 11419 1
210 . 1 1 19 19 VAL HG12 H 1 1.207 0.02 . 2 . . . . 19 VAL MG1 . 11419 1
211 . 1 1 19 19 VAL HG13 H 1 1.207 0.02 . 2 . . . . 19 VAL MG1 . 11419 1
212 . 1 1 19 19 VAL HG21 H 1 1.299 0.02 . 2 . . . . 19 VAL MG2 . 11419 1
213 . 1 1 19 19 VAL HG22 H 1 1.299 0.02 . 2 . . . . 19 VAL MG2 . 11419 1
214 . 1 1 19 19 VAL HG23 H 1 1.299 0.02 . 2 . . . . 19 VAL MG2 . 11419 1
215 . 1 1 19 19 VAL C C 13 177.621 0.2 . 1 . . . . 19 VAL C . 11419 1
216 . 1 1 19 19 VAL CA C 13 66.986 0.2 . 1 . . . . 19 VAL CA . 11419 1
217 . 1 1 19 19 VAL CB C 13 31.931 0.2 . 1 . . . . 19 VAL CB . 11419 1
218 . 1 1 19 19 VAL CG1 C 13 21.414 0.2 . 2 . . . . 19 VAL CG1 . 11419 1
219 . 1 1 19 19 VAL CG2 C 13 22.896 0.2 . 2 . . . . 19 VAL CG2 . 11419 1
220 . 1 1 19 19 VAL N N 15 119.653 0.2 . 1 . . . . 19 VAL N . 11419 1
221 . 1 1 20 20 LYS H H 1 8.312 0.02 . 1 . . . . 20 LYS H . 11419 1
222 . 1 1 20 20 LYS HA H 1 4.152 0.02 . 1 . . . . 20 LYS HA . 11419 1
223 . 1 1 20 20 LYS HB2 H 1 2.133 0.02 . 1 . . . . 20 LYS HB2 . 11419 1
224 . 1 1 20 20 LYS HB3 H 1 2.133 0.02 . 1 . . . . 20 LYS HB3 . 11419 1
225 . 1 1 20 20 LYS HD2 H 1 1.869 0.02 . 1 . . . . 20 LYS HD2 . 11419 1
226 . 1 1 20 20 LYS HD3 H 1 1.869 0.02 . 1 . . . . 20 LYS HD3 . 11419 1
227 . 1 1 20 20 LYS HE2 H 1 3.141 0.02 . 1 . . . . 20 LYS HE2 . 11419 1
228 . 1 1 20 20 LYS HE3 H 1 3.141 0.02 . 1 . . . . 20 LYS HE3 . 11419 1
229 . 1 1 20 20 LYS HG2 H 1 1.666 0.02 . 1 . . . . 20 LYS HG2 . 11419 1
230 . 1 1 20 20 LYS HG3 H 1 1.666 0.02 . 1 . . . . 20 LYS HG3 . 11419 1
231 . 1 1 20 20 LYS C C 13 178.463 0.2 . 1 . . . . 20 LYS C . 11419 1
232 . 1 1 20 20 LYS CA C 13 59.910 0.2 . 1 . . . . 20 LYS CA . 11419 1
233 . 1 1 20 20 LYS CB C 13 32.559 0.2 . 1 . . . . 20 LYS CB . 11419 1
234 . 1 1 20 20 LYS CD C 13 29.637 0.2 . 1 . . . . 20 LYS CD . 11419 1
235 . 1 1 20 20 LYS CE C 13 42.270 0.2 . 1 . . . . 20 LYS CE . 11419 1
236 . 1 1 20 20 LYS CG C 13 25.518 0.2 . 1 . . . . 20 LYS CG . 11419 1
237 . 1 1 20 20 LYS N N 15 120.069 0.2 . 1 . . . . 20 LYS N . 11419 1
238 . 1 1 21 21 LYS H H 1 8.377 0.02 . 1 . . . . 21 LYS H . 11419 1
239 . 1 1 21 21 LYS HA H 1 4.252 0.02 . 1 . . . . 21 LYS HA . 11419 1
240 . 1 1 21 21 LYS HB2 H 1 2.133 0.02 . 1 . . . . 21 LYS HB2 . 11419 1
241 . 1 1 21 21 LYS HB3 H 1 2.133 0.02 . 1 . . . . 21 LYS HB3 . 11419 1
242 . 1 1 21 21 LYS HD2 H 1 1.882 0.02 . 1 . . . . 21 LYS HD2 . 11419 1
243 . 1 1 21 21 LYS HD3 H 1 1.882 0.02 . 1 . . . . 21 LYS HD3 . 11419 1
244 . 1 1 21 21 LYS HE2 H 1 3.157 0.02 . 1 . . . . 21 LYS HE2 . 11419 1
245 . 1 1 21 21 LYS HE3 H 1 3.157 0.02 . 1 . . . . 21 LYS HE3 . 11419 1
246 . 1 1 21 21 LYS HG2 H 1 1.686 0.02 . 1 . . . . 21 LYS HG2 . 11419 1
247 . 1 1 21 21 LYS HG3 H 1 1.686 0.02 . 1 . . . . 21 LYS HG3 . 11419 1
248 . 1 1 21 21 LYS C C 13 178.935 0.2 . 1 . . . . 21 LYS C . 11419 1
249 . 1 1 21 21 LYS CA C 13 59.635 0.2 . 1 . . . . 21 LYS CA . 11419 1
250 . 1 1 21 21 LYS CB C 13 32.380 0.2 . 1 . . . . 21 LYS CB . 11419 1
251 . 1 1 21 21 LYS CD C 13 29.910 0.2 . 1 . . . . 21 LYS CD . 11419 1
252 . 1 1 21 21 LYS CE C 13 42.394 0.2 . 1 . . . . 21 LYS CE . 11419 1
253 . 1 1 21 21 LYS CG C 13 25.444 0.2 . 1 . . . . 21 LYS CG . 11419 1
254 . 1 1 21 21 LYS N N 15 118.788 0.2 . 1 . . . . 21 LYS N . 11419 1
255 . 1 1 22 22 TYR H H 1 8.269 0.02 . 1 . . . . 22 TYR H . 11419 1
256 . 1 1 22 22 TYR HA H 1 4.469 0.02 . 1 . . . . 22 TYR HA . 11419 1
257 . 1 1 22 22 TYR HB2 H 1 3.371 0.02 . 1 . . . . 22 TYR HB2 . 11419 1
258 . 1 1 22 22 TYR HB3 H 1 3.371 0.02 . 1 . . . . 22 TYR HB3 . 11419 1
259 . 1 1 22 22 TYR HD1 H 1 7.344 0.02 . 3 . . . . 22 TYR HD1 . 11419 1
260 . 1 1 22 22 TYR HD2 H 1 7.344 0.02 . 3 . . . . 22 TYR HD2 . 11419 1
261 . 1 1 22 22 TYR HE1 H 1 7.072 0.02 . 3 . . . . 22 TYR HE1 . 11419 1
262 . 1 1 22 22 TYR HE2 H 1 7.072 0.02 . 3 . . . . 22 TYR HE2 . 11419 1
263 . 1 1 22 22 TYR C C 13 178.034 0.2 . 1 . . . . 22 TYR C . 11419 1
264 . 1 1 22 22 TYR CA C 13 61.146 0.2 . 1 . . . . 22 TYR CA . 11419 1
265 . 1 1 22 22 TYR CB C 13 38.449 0.2 . 1 . . . . 22 TYR CB . 11419 1
266 . 1 1 22 22 TYR CD1 C 13 132.918 0.2 . 3 . . . . 22 TYR CD1 . 11419 1
267 . 1 1 22 22 TYR CD2 C 13 132.918 0.2 . 3 . . . . 22 TYR CD2 . 11419 1
268 . 1 1 22 22 TYR CE1 C 13 118.097 0.2 . 3 . . . . 22 TYR CE1 . 11419 1
269 . 1 1 22 22 TYR CE2 C 13 118.097 0.2 . 3 . . . . 22 TYR CE2 . 11419 1
270 . 1 1 22 22 TYR N N 15 120.745 0.2 . 1 . . . . 22 TYR N . 11419 1
271 . 1 1 23 23 LEU H H 1 8.919 0.02 . 1 . . . . 23 LEU H . 11419 1
272 . 1 1 23 23 LEU HA H 1 4.078 0.02 . 1 . . . . 23 LEU HA . 11419 1
273 . 1 1 23 23 LEU HB2 H 1 2.080 0.02 . 1 . . . . 23 LEU HB2 . 11419 1
274 . 1 1 23 23 LEU HB3 H 1 2.080 0.02 . 1 . . . . 23 LEU HB3 . 11419 1
275 . 1 1 23 23 LEU HD11 H 1 1.097 0.02 . 1 . . . . 23 LEU MD1 . 11419 1
276 . 1 1 23 23 LEU HD12 H 1 1.097 0.02 . 1 . . . . 23 LEU MD1 . 11419 1
277 . 1 1 23 23 LEU HD13 H 1 1.097 0.02 . 1 . . . . 23 LEU MD1 . 11419 1
278 . 1 1 23 23 LEU HD21 H 1 1.097 0.02 . 1 . . . . 23 LEU MD2 . 11419 1
279 . 1 1 23 23 LEU HD22 H 1 1.097 0.02 . 1 . . . . 23 LEU MD2 . 11419 1
280 . 1 1 23 23 LEU HD23 H 1 1.097 0.02 . 1 . . . . 23 LEU MD2 . 11419 1
281 . 1 1 23 23 LEU HG H 1 1.660 0.02 . 1 . . . . 23 LEU HG . 11419 1
282 . 1 1 23 23 LEU C C 13 178.931 0.2 . 1 . . . . 23 LEU C . 11419 1
283 . 1 1 23 23 LEU CA C 13 57.712 0.2 . 1 . . . . 23 LEU CA . 11419 1
284 . 1 1 23 23 LEU CB C 13 41.750 0.2 . 1 . . . . 23 LEU CB . 11419 1
285 . 1 1 23 23 LEU CD1 C 13 25.493 0.2 . 1 . . . . 23 LEU CD1 . 11419 1
286 . 1 1 23 23 LEU CD2 C 13 22.950 0.2 . 1 . . . . 23 LEU CD2 . 11419 1
287 . 1 1 23 23 LEU CG C 13 27.037 0.2 . 1 . . . . 23 LEU CG . 11419 1
288 . 1 1 23 23 LEU N N 15 120.147 0.2 . 1 . . . . 23 LEU N . 11419 1
289 . 1 1 24 24 ASN H H 1 8.535 0.02 . 1 . . . . 24 ASN H . 11419 1
290 . 1 1 24 24 ASN HA H 1 4.646 0.02 . 1 . . . . 24 ASN HA . 11419 1
291 . 1 1 24 24 ASN HB2 H 1 3.023 0.02 . 1 . . . . 24 ASN HB2 . 11419 1
292 . 1 1 24 24 ASN HB3 H 1 3.023 0.02 . 1 . . . . 24 ASN HB3 . 11419 1
293 . 1 1 24 24 ASN HD21 H 1 7.951 0.02 . 2 . . . . 24 ASN HD21 . 11419 1
294 . 1 1 24 24 ASN HD22 H 1 7.196 0.02 . 2 . . . . 24 ASN HD22 . 11419 1
295 . 1 1 24 24 ASN C C 13 176.971 0.2 . 1 . . . . 24 ASN C . 11419 1
296 . 1 1 24 24 ASN CA C 13 55.873 0.2 . 1 . . . . 24 ASN CA . 11419 1
297 . 1 1 24 24 ASN CB C 13 38.826 0.2 . 1 . . . . 24 ASN CB . 11419 1
298 . 1 1 24 24 ASN N N 15 116.435 0.2 . 1 . . . . 24 ASN N . 11419 1
299 . 1 1 25 25 SER H H 1 8.140 0.02 . 1 . . . . 25 SER H . 11419 1
300 . 1 1 25 25 SER HA H 1 4.505 0.02 . 1 . . . . 25 SER HA . 11419 1
301 . 1 1 25 25 SER HB2 H 1 4.153 0.02 . 1 . . . . 25 SER HB2 . 11419 1
302 . 1 1 25 25 SER HB3 H 1 4.153 0.02 . 1 . . . . 25 SER HB3 . 11419 1
303 . 1 1 25 25 SER C C 13 175.497 0.2 . 1 . . . . 25 SER C . 11419 1
304 . 1 1 25 25 SER CA C 13 61.045 0.2 . 1 . . . . 25 SER CA . 11419 1
305 . 1 1 25 25 SER CB C 13 63.517 0.2 . 1 . . . . 25 SER CB . 11419 1
306 . 1 1 25 25 SER N N 15 115.330 0.2 . 1 . . . . 25 SER N . 11419 1
307 . 1 1 26 26 ILE H H 1 7.714 0.02 . 1 . . . . 26 ILE H . 11419 1
308 . 1 1 26 26 ILE HA H 1 4.230 0.02 . 1 . . . . 26 ILE HA . 11419 1
309 . 1 1 26 26 ILE HB H 1 2.047 0.02 . 1 . . . . 26 ILE HB . 11419 1
310 . 1 1 26 26 ILE HD11 H 1 0.866 0.02 . 1 . . . . 26 ILE MD . 11419 1
311 . 1 1 26 26 ILE HD12 H 1 0.866 0.02 . 1 . . . . 26 ILE MD . 11419 1
312 . 1 1 26 26 ILE HD13 H 1 0.866 0.02 . 1 . . . . 26 ILE MD . 11419 1
313 . 1 1 26 26 ILE HG12 H 1 1.483 0.02 . 2 . . . . 26 ILE HG12 . 11419 1
314 . 1 1 26 26 ILE HG13 H 1 1.220 0.02 . 2 . . . . 26 ILE HG13 . 11419 1
315 . 1 1 26 26 ILE HG21 H 1 0.940 0.02 . 1 . . . . 26 ILE MG . 11419 1
316 . 1 1 26 26 ILE HG22 H 1 0.940 0.02 . 1 . . . . 26 ILE MG . 11419 1
317 . 1 1 26 26 ILE HG23 H 1 0.940 0.02 . 1 . . . . 26 ILE MG . 11419 1
318 . 1 1 26 26 ILE C C 13 177.154 0.2 . 1 . . . . 26 ILE C . 11419 1
319 . 1 1 26 26 ILE CA C 13 62.689 0.2 . 1 . . . . 26 ILE CA . 11419 1
320 . 1 1 26 26 ILE CB C 13 38.398 0.2 . 1 . . . . 26 ILE CB . 11419 1
321 . 1 1 26 26 ILE CD1 C 13 13.014 0.2 . 1 . . . . 26 ILE CD1 . 11419 1
322 . 1 1 26 26 ILE CG1 C 13 27.350 0.2 . 1 . . . . 26 ILE CG1 . 11419 1
323 . 1 1 26 26 ILE CG2 C 13 17.598 0.2 . 1 . . . . 26 ILE CG2 . 11419 1
324 . 1 1 26 26 ILE N N 15 119.346 0.2 . 1 . . . . 26 ILE N . 11419 1
325 . 1 1 27 27 LEU H H 1 8.049 0.02 . 1 . . . . 27 LEU H . 11419 1
326 . 1 1 27 27 LEU HA H 1 4.435 0.02 . 1 . . . . 27 LEU HA . 11419 1
327 . 1 1 27 27 LEU HB2 H 1 1.903 0.02 . 1 . . . . 27 LEU HB2 . 11419 1
328 . 1 1 27 27 LEU HB3 H 1 1.903 0.02 . 1 . . . . 27 LEU HB3 . 11419 1
329 . 1 1 27 27 LEU HD11 H 1 1.061 0.02 . 2 . . . . 27 LEU MD1 . 11419 1
330 . 1 1 27 27 LEU HD12 H 1 1.061 0.02 . 2 . . . . 27 LEU MD1 . 11419 1
331 . 1 1 27 27 LEU HD13 H 1 1.061 0.02 . 2 . . . . 27 LEU MD1 . 11419 1
332 . 1 1 27 27 LEU HD21 H 1 1.061 0.02 . 2 . . . . 27 LEU MD2 . 11419 1
333 . 1 1 27 27 LEU HD22 H 1 1.061 0.02 . 2 . . . . 27 LEU MD2 . 11419 1
334 . 1 1 27 27 LEU HD23 H 1 1.061 0.02 . 2 . . . . 27 LEU MD2 . 11419 1
335 . 1 1 27 27 LEU HG H 1 1.721 0.02 . 1 . . . . 27 LEU HG . 11419 1
336 . 1 1 27 27 LEU C C 13 177.334 0.2 . 1 . . . . 27 LEU C . 11419 1
337 . 1 1 27 27 LEU CA C 13 56.223 0.2 . 1 . . . . 27 LEU CA . 11419 1
338 . 1 1 27 27 LEU CB C 13 42.655 0.2 . 1 . . . . 27 LEU CB . 11419 1
339 . 1 1 27 27 LEU CD1 C 13 25.168 0.2 . 2 . . . . 27 LEU CD1 . 11419 1
340 . 1 1 27 27 LEU CD2 C 13 23.172 0.2 . 2 . . . . 27 LEU CD2 . 11419 1
341 . 1 1 27 27 LEU CG C 13 27.138 0.2 . 1 . . . . 27 LEU CG . 11419 1
342 . 1 1 27 27 LEU N N 15 120.351 0.2 . 1 . . . . 27 LEU N . 11419 1
343 . 1 1 28 28 ASN H H 1 8.226 0.02 . 1 . . . . 28 ASN H . 11419 1
344 . 1 1 28 28 ASN HA H 1 4.956 0.02 . 1 . . . . 28 ASN HA . 11419 1
345 . 1 1 28 28 ASN HB2 H 1 3.044 0.02 . 2 . . . . 28 ASN HB2 . 11419 1
346 . 1 1 28 28 ASN HB3 H 1 2.895 0.02 . 2 . . . . 28 ASN HB3 . 11419 1
347 . 1 1 28 28 ASN HD21 H 1 7.823 0.02 . 2 . . . . 28 ASN HD21 . 11419 1
348 . 1 1 28 28 ASN HD22 H 1 7.095 0.02 . 2 . . . . 28 ASN HD22 . 11419 1
349 . 1 1 28 28 ASN C C 13 174.555 0.2 . 1 . . . . 28 ASN C . 11419 1
350 . 1 1 28 28 ASN CA C 13 53.679 0.2 . 1 . . . . 28 ASN CA . 11419 1
351 . 1 1 28 28 ASN CB C 13 39.832 0.2 . 1 . . . . 28 ASN CB . 11419 1
352 . 1 1 28 28 ASN N N 15 116.472 0.2 . 1 . . . . 28 ASN N . 11419 1
353 . 1 1 28 28 ASN ND2 N 15 112.206 0.2 . 1 . . . . 28 ASN ND2 . 11419 1
354 . 1 1 29 29 GLY H H 1 7.921 0.02 . 1 . . . . 29 GLY H . 11419 1
355 . 1 1 29 29 GLY HA2 H 1 3.942 0.02 . 1 . . . . 29 GLY HA2 . 11419 1
356 . 1 1 29 29 GLY HA3 H 1 3.942 0.02 . 1 . . . . 29 GLY HA3 . 11419 1
357 . 1 1 29 29 GLY CA C 13 46.374 0.2 . 1 . . . . 29 GLY CA . 11419 1
358 . 1 1 29 29 GLY N N 15 114.227 0.2 . 1 . . . . 29 GLY N . 11419 1
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