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 36384
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_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 .
_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-15N HSQC' 1 $15N_13C_sample isotropic 36384 1
2 '2D 1H-13C HSQC' 1 $15N_13C_sample isotropic 36384 1
3 '3D HNCACB' 1 $15N_13C_sample isotropic 36384 1
4 '3D CBCA(CO)NH' 1 $15N_13C_sample isotropic 36384 1
5 '3D C(CO)NH' 1 $15N_13C_sample isotropic 36384 1
6 '3D HNHA' 1 $15N_13C_sample isotropic 36384 1
7 '3D 1H-15N TOCSY' 1 $15N_13C_sample isotropic 36384 1
8 '3D HCCH-TOCSY' 1 $15N_13C_sample isotropic 36384 1
9 '3D HBHA(CO)NH' 1 $15N_13C_sample isotropic 36384 1
10 '3D HBHANH' 1 $15N_13C_sample isotropic 36384 1
11 '3D 1H-15N NOESY' 1 $15N_13C_sample isotropic 36384 1
12 '3D 1H-13C NOESY' 1 $15N_13C_sample isotropic 36384 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 3 3 ALA HA H 1 4.255 0 . 1 . . . . A 311 ALA HA . 36384 1
2 . 1 . 1 3 3 ALA HB1 H 1 1.356 0 . 1 . . . . A 311 ALA HB1 . 36384 1
3 . 1 . 1 3 3 ALA HB2 H 1 1.356 0 . 1 . . . . A 311 ALA HB2 . 36384 1
4 . 1 . 1 3 3 ALA HB3 H 1 1.356 0 . 1 . . . . A 311 ALA HB3 . 36384 1
5 . 1 . 1 3 3 ALA CA C 13 52.218 0.028 . 1 . . . . A 311 ALA CA . 36384 1
6 . 1 . 1 3 3 ALA CB C 13 18.481 0.021 . 1 . . . . A 311 ALA CB . 36384 1
7 . 1 . 1 4 4 GLU H H 1 8.267 0.003 . 1 . . . . A 312 GLU H . 36384 1
8 . 1 . 1 4 4 GLU HA H 1 4.22 0.007 . 1 . . . . A 312 GLU HA . 36384 1
9 . 1 . 1 4 4 GLU HB2 H 1 1.938 0.006 . 2 . . . . A 312 GLU HB2 . 36384 1
10 . 1 . 1 4 4 GLU HB3 H 1 2.022 0.001 . 2 . . . . A 312 GLU HB3 . 36384 1
11 . 1 . 1 4 4 GLU HG2 H 1 2.243 0.001 . 1 . . . . A 312 GLU HG2 . 36384 1
12 . 1 . 1 4 4 GLU CA C 13 56.139 0.046 . 1 . . . . A 312 GLU CA . 36384 1
13 . 1 . 1 4 4 GLU CB C 13 29.637 0.055 . 1 . . . . A 312 GLU CB . 36384 1
14 . 1 . 1 4 4 GLU CG C 13 35.675 0.026 . 1 . . . . A 312 GLU CG . 36384 1
15 . 1 . 1 4 4 GLU N N 15 119.996 0.017 . 1 . . . . A 312 GLU N . 36384 1
16 . 1 . 1 5 5 ALA H H 1 8.253 0.002 . 1 . . . . A 313 ALA H . 36384 1
17 . 1 . 1 5 5 ALA HA H 1 4.306 0.003 . 1 . . . . A 313 ALA HA . 36384 1
18 . 1 . 1 5 5 ALA HB1 H 1 1.386 0.01 . 1 . . . . A 313 ALA HB1 . 36384 1
19 . 1 . 1 5 5 ALA HB2 H 1 1.386 0.01 . 1 . . . . A 313 ALA HB2 . 36384 1
20 . 1 . 1 5 5 ALA HB3 H 1 1.386 0.01 . 1 . . . . A 313 ALA HB3 . 36384 1
21 . 1 . 1 5 5 ALA CA C 13 52.197 0.102 . 1 . . . . A 313 ALA CA . 36384 1
22 . 1 . 1 5 5 ALA CB C 13 18.534 0.047 . 1 . . . . A 313 ALA CB . 36384 1
23 . 1 . 1 5 5 ALA N N 15 124.62 0.014 . 1 . . . . A 313 ALA N . 36384 1
24 . 1 . 1 6 6 THR H H 1 7.991 0.003 . 1 . . . . A 314 THR H . 36384 1
25 . 1 . 1 6 6 THR HA H 1 4.24 0.012 . 1 . . . . A 314 THR HA . 36384 1
26 . 1 . 1 6 6 THR HB H 1 4.195 0.001 . 1 . . . . A 314 THR HB . 36384 1
27 . 1 . 1 6 6 THR HG21 H 1 1.191 0.002 . 1 . . . . A 314 THR HG21 . 36384 1
28 . 1 . 1 6 6 THR HG22 H 1 1.191 0.002 . 1 . . . . A 314 THR HG22 . 36384 1
29 . 1 . 1 6 6 THR HG23 H 1 1.191 0.002 . 1 . . . . A 314 THR HG23 . 36384 1
30 . 1 . 1 6 6 THR CA C 13 61.762 0.123 . 1 . . . . A 314 THR CA . 36384 1
31 . 1 . 1 6 6 THR CB C 13 69.103 0.057 . 1 . . . . A 314 THR CB . 36384 1
32 . 1 . 1 6 6 THR CG2 C 13 21.036 0.12 . 1 . . . . A 314 THR CG2 . 36384 1
33 . 1 . 1 6 6 THR N N 15 112.961 0.021 . 1 . . . . A 314 THR N . 36384 1
34 . 1 . 1 7 7 ARG H H 1 8.173 0.005 . 1 . . . . A 315 ARG H . 36384 1
35 . 1 . 1 7 7 ARG HA H 1 4.286 0.011 . 1 . . . . A 315 ARG HA . 36384 1
36 . 1 . 1 7 7 ARG HB2 H 1 1.84 0.003 . 2 . . . . A 315 ARG HB2 . 36384 1
37 . 1 . 1 7 7 ARG HB3 H 1 1.761 0.002 . 2 . . . . A 315 ARG HB3 . 36384 1
38 . 1 . 1 7 7 ARG HG2 H 1 1.62 0.001 . 1 . . . . A 315 ARG HG2 . 36384 1
39 . 1 . 1 7 7 ARG HD2 H 1 3.171 0.001 . 1 . . . . A 315 ARG HD2 . 36384 1
40 . 1 . 1 7 7 ARG CA C 13 55.726 0.068 . 1 . . . . A 315 ARG CA . 36384 1
41 . 1 . 1 7 7 ARG CB C 13 30.103 0.062 . 1 . . . . A 315 ARG CB . 36384 1
42 . 1 . 1 7 7 ARG CG C 13 26.548 0.025 . 1 . . . . A 315 ARG CG . 36384 1
43 . 1 . 1 7 7 ARG CD C 13 42.742 0.017 . 1 . . . . A 315 ARG CD . 36384 1
44 . 1 . 1 7 7 ARG N N 15 123.261 0.018 . 1 . . . . A 315 ARG N . 36384 1
45 . 1 . 1 8 8 GLN H H 1 8.329 0.002 . 1 . . . . A 316 GLN H . 36384 1
46 . 1 . 1 8 8 GLN HA H 1 4.245 0.008 . 1 . . . . A 316 GLN HA . 36384 1
47 . 1 . 1 8 8 GLN HB2 H 1 1.988 0.012 . 1 . . . . A 316 GLN HB2 . 36384 1
48 . 1 . 1 8 8 GLN HG2 H 1 2.31 0.014 . 1 . . . . A 316 GLN HG2 . 36384 1
49 . 1 . 1 8 8 GLN CA C 13 55.571 0.001 . 1 . . . . A 316 GLN CA . 36384 1
50 . 1 . 1 8 8 GLN CB C 13 28.754 0.039 . 1 . . . . A 316 GLN CB . 36384 1
51 . 1 . 1 8 8 GLN CG C 13 33.23 0.034 . 1 . . . . A 316 GLN CG . 36384 1
52 . 1 . 1 8 8 GLN N N 15 121.615 0.004 . 1 . . . . A 316 GLN N . 36384 1
53 . 1 . 1 9 9 ALA H H 1 8.236 0.003 . 1 . . . . A 317 ALA H . 36384 1
54 . 1 . 1 9 9 ALA HA H 1 4.256 0.005 . 1 . . . . A 317 ALA HA . 36384 1
55 . 1 . 1 9 9 ALA HB1 H 1 1.378 0.001 . 1 . . . . A 317 ALA HB1 . 36384 1
56 . 1 . 1 9 9 ALA HB2 H 1 1.378 0.001 . 1 . . . . A 317 ALA HB2 . 36384 1
57 . 1 . 1 9 9 ALA HB3 H 1 1.378 0.001 . 1 . . . . A 317 ALA HB3 . 36384 1
58 . 1 . 1 9 9 ALA CA C 13 52.164 0.019 . 1 . . . . A 317 ALA CA . 36384 1
59 . 1 . 1 9 9 ALA CB C 13 18.578 0 . 1 . . . . A 317 ALA CB . 36384 1
60 . 1 . 1 9 9 ALA N N 15 125.117 0.019 . 1 . . . . A 317 ALA N . 36384 1
61 . 1 . 1 10 10 ALA HA H 1 4.248 0 . 1 . . . . A 318 ALA HA . 36384 1
62 . 1 . 1 10 10 ALA HB1 H 1 1.371 0.004 . 1 . . . . A 318 ALA HB1 . 36384 1
63 . 1 . 1 10 10 ALA HB2 H 1 1.371 0.004 . 1 . . . . A 318 ALA HB2 . 36384 1
64 . 1 . 1 10 10 ALA HB3 H 1 1.371 0.004 . 1 . . . . A 318 ALA HB3 . 36384 1
65 . 1 . 1 10 10 ALA CA C 13 51.945 0.014 . 1 . . . . A 318 ALA CA . 36384 1
66 . 1 . 1 10 10 ALA CB C 13 18.606 0.025 . 1 . . . . A 318 ALA CB . 36384 1
67 . 1 . 1 11 11 ALA H H 1 8.157 0.004 . 1 . . . . A 319 ALA H . 36384 1
68 . 1 . 1 11 11 ALA HA H 1 4.265 0.006 . 1 . . . . A 319 ALA HA . 36384 1
69 . 1 . 1 11 11 ALA HB1 H 1 1.381 0.004 . 1 . . . . A 319 ALA HB1 . 36384 1
70 . 1 . 1 11 11 ALA HB2 H 1 1.381 0.004 . 1 . . . . A 319 ALA HB2 . 36384 1
71 . 1 . 1 11 11 ALA HB3 H 1 1.381 0.004 . 1 . . . . A 319 ALA HB3 . 36384 1
72 . 1 . 1 11 11 ALA CA C 13 52.063 0.054 . 1 . . . . A 319 ALA CA . 36384 1
73 . 1 . 1 11 11 ALA CB C 13 18.545 0.028 . 1 . . . . A 319 ALA CB . 36384 1
74 . 1 . 1 11 11 ALA N N 15 122.925 0.021 . 1 . . . . A 319 ALA N . 36384 1
75 . 1 . 1 12 12 GLN H H 1 8.268 0.003 . 1 . . . . A 320 GLN H . 36384 1
76 . 1 . 1 12 12 GLN HA H 1 4.265 0.006 . 1 . . . . A 320 GLN HA . 36384 1
77 . 1 . 1 12 12 GLN HB2 H 1 2.042 0.008 . 1 . . . . A 320 GLN HB2 . 36384 1
78 . 1 . 1 12 12 GLN HG2 H 1 2.353 0.001 . 1 . . . . A 320 GLN HG2 . 36384 1
79 . 1 . 1 12 12 GLN CA C 13 55.692 0.052 . 1 . . . . A 320 GLN CA . 36384 1
80 . 1 . 1 12 12 GLN CB C 13 28.807 0.028 . 1 . . . . A 320 GLN CB . 36384 1
81 . 1 . 1 12 12 GLN CG C 13 33.269 0.059 . 1 . . . . A 320 GLN CG . 36384 1
82 . 1 . 1 12 12 GLN N N 15 119.23 0.011 . 1 . . . . A 320 GLN N . 36384 1
83 . 1 . 1 13 13 GLU H H 1 8.446 0.002 . 1 . . . . A 321 GLU H . 36384 1
84 . 1 . 1 13 13 GLU HA H 1 4.217 0.008 . 1 . . . . A 321 GLU HA . 36384 1
85 . 1 . 1 13 13 GLU HB2 H 1 1.987 0.015 . 1 . . . . A 321 GLU HB2 . 36384 1
86 . 1 . 1 13 13 GLU HG2 H 1 2.238 0.005 . 1 . . . . A 321 GLU HG2 . 36384 1
87 . 1 . 1 13 13 GLU CA C 13 56.18 0.052 . 1 . . . . A 321 GLU CA . 36384 1
88 . 1 . 1 13 13 GLU CB C 13 29.695 0.087 . 1 . . . . A 321 GLU CB . 36384 1
89 . 1 . 1 13 13 GLU CG C 13 35.695 0.04 . 1 . . . . A 321 GLU CG . 36384 1
90 . 1 . 1 13 13 GLU N N 15 121.401 0.032 . 1 . . . . A 321 GLU N . 36384 1
91 . 1 . 1 14 14 GLU H H 1 8.323 0.003 . 1 . . . . A 322 GLU H . 36384 1
92 . 1 . 1 14 14 GLU HA H 1 4.25 0.003 . 1 . . . . A 322 GLU HA . 36384 1
93 . 1 . 1 14 14 GLU HB2 H 1 1.985 0.009 . 1 . . . . A 322 GLU HB2 . 36384 1
94 . 1 . 1 14 14 GLU HG2 H 1 2.275 0.003 . 1 . . . . A 322 GLU HG2 . 36384 1
95 . 1 . 1 14 14 GLU CA C 13 56.293 0.028 . 1 . . . . A 322 GLU CA . 36384 1
96 . 1 . 1 14 14 GLU CB C 13 29.667 0.014 . 1 . . . . A 322 GLU CB . 36384 1
97 . 1 . 1 14 14 GLU CG C 13 35.793 0.023 . 1 . . . . A 322 GLU CG . 36384 1
98 . 1 . 1 14 14 GLU N N 15 121.913 0.014 . 1 . . . . A 322 GLU N . 36384 1
99 . 1 . 1 15 15 ARG H H 1 8.492 0.003 . 1 . . . . A 323 ARG H . 36384 1
100 . 1 . 1 15 15 ARG HA H 1 4.437 0.002 . 1 . . . . A 323 ARG HA . 36384 1
101 . 1 . 1 15 15 ARG HB2 H 1 1.834 0.004 . 2 . . . . A 323 ARG HB2 . 36384 1
102 . 1 . 1 15 15 ARG HB3 H 1 2.034 0.003 . 2 . . . . A 323 ARG HB3 . 36384 1
103 . 1 . 1 15 15 ARG HG2 H 1 1.64 0.005 . 1 . . . . A 323 ARG HG2 . 36384 1
104 . 1 . 1 15 15 ARG HD2 H 1 3.238 0.001 . 1 . . . . A 323 ARG HD2 . 36384 1
105 . 1 . 1 15 15 ARG CA C 13 55.429 0.069 . 1 . . . . A 323 ARG CA . 36384 1
106 . 1 . 1 15 15 ARG CB C 13 30.188 0.056 . 1 . . . . A 323 ARG CB . 36384 1
107 . 1 . 1 15 15 ARG CG C 13 26.693 0.039 . 1 . . . . A 323 ARG CG . 36384 1
108 . 1 . 1 15 15 ARG CD C 13 42.833 0.023 . 1 . . . . A 323 ARG CD . 36384 1
109 . 1 . 1 15 15 ARG N N 15 121.728 0.022 . 1 . . . . A 323 ARG N . 36384 1
110 . 1 . 1 16 16 LEU H H 1 8.818 0.005 . 1 . . . . A 324 LEU H . 36384 1
111 . 1 . 1 16 16 LEU HA H 1 4.069 0.003 . 1 . . . . A 324 LEU HA . 36384 1
112 . 1 . 1 16 16 LEU HB2 H 1 1.803 0.005 . 2 . . . . A 324 LEU HB2 . 36384 1
113 . 1 . 1 16 16 LEU HB3 H 1 1.577 0.003 . 2 . . . . A 324 LEU HB3 . 36384 1
114 . 1 . 1 16 16 LEU HD11 H 1 0.952 0.002 . 2 . . . . A 324 LEU HD11 . 36384 1
115 . 1 . 1 16 16 LEU HD12 H 1 0.952 0.002 . 2 . . . . A 324 LEU HD12 . 36384 1
116 . 1 . 1 16 16 LEU HD13 H 1 0.952 0.002 . 2 . . . . A 324 LEU HD13 . 36384 1
117 . 1 . 1 16 16 LEU HD21 H 1 0.897 0 . 2 . . . . A 324 LEU HD21 . 36384 1
118 . 1 . 1 16 16 LEU HD22 H 1 0.897 0 . 2 . . . . A 324 LEU HD22 . 36384 1
119 . 1 . 1 16 16 LEU HD23 H 1 0.897 0 . 2 . . . . A 324 LEU HD23 . 36384 1
120 . 1 . 1 16 16 LEU CA C 13 57.42 0.054 . 1 . . . . A 324 LEU CA . 36384 1
121 . 1 . 1 16 16 LEU CB C 13 41.105 0.04 . 1 . . . . A 324 LEU CB . 36384 1
122 . 1 . 1 16 16 LEU CG C 13 26.533 0.088 . 1 . . . . A 324 LEU CG . 36384 1
123 . 1 . 1 16 16 LEU CD1 C 13 24.335 0.041 . 2 . . . . A 324 LEU CD1 . 36384 1
124 . 1 . 1 16 16 LEU CD2 C 13 22.982 0.01 . 2 . . . . A 324 LEU CD2 . 36384 1
125 . 1 . 1 16 16 LEU N N 15 124.162 0.025 . 1 . . . . A 324 LEU N . 36384 1
126 . 1 . 1 17 17 ALA H H 1 8.777 0.005 . 1 . . . . A 325 ALA H . 36384 1
127 . 1 . 1 17 17 ALA HA H 1 3.941 0.003 . 1 . . . . A 325 ALA HA . 36384 1
128 . 1 . 1 17 17 ALA HB1 H 1 1.406 0.003 . 1 . . . . A 325 ALA HB1 . 36384 1
129 . 1 . 1 17 17 ALA HB2 H 1 1.406 0.003 . 1 . . . . A 325 ALA HB2 . 36384 1
130 . 1 . 1 17 17 ALA HB3 H 1 1.406 0.003 . 1 . . . . A 325 ALA HB3 . 36384 1
131 . 1 . 1 17 17 ALA CA C 13 54.574 0.06 . 1 . . . . A 325 ALA CA . 36384 1
132 . 1 . 1 17 17 ALA CB C 13 17.976 0.058 . 1 . . . . A 325 ALA CB . 36384 1
133 . 1 . 1 17 17 ALA N N 15 119.579 0.017 . 1 . . . . A 325 ALA N . 36384 1
134 . 1 . 1 18 18 ASP H H 1 7.471 0.002 . 1 . . . . A 326 ASP H . 36384 1
135 . 1 . 1 18 18 ASP HA H 1 4.416 0.002 . 1 . . . . A 326 ASP HA . 36384 1
136 . 1 . 1 18 18 ASP HB2 H 1 2.779 0.003 . 1 . . . . A 326 ASP HB2 . 36384 1
137 . 1 . 1 18 18 ASP CA C 13 56.133 0.066 . 1 . . . . A 326 ASP CA . 36384 1
138 . 1 . 1 18 18 ASP CB C 13 40.055 0.047 . 1 . . . . A 326 ASP CB . 36384 1
139 . 1 . 1 18 18 ASP N N 15 117.558 0.021 . 1 . . . . A 326 ASP N . 36384 1
140 . 1 . 1 19 19 LEU H H 1 7.825 0.001 . 1 . . . . A 327 LEU H . 36384 1
141 . 1 . 1 19 19 LEU HA H 1 4.194 0.004 . 1 . . . . A 327 LEU HA . 36384 1
142 . 1 . 1 19 19 LEU HB2 H 1 1.807 0.006 . 2 . . . . A 327 LEU HB2 . 36384 1
143 . 1 . 1 19 19 LEU HB3 H 1 1.638 0.005 . 2 . . . . A 327 LEU HB3 . 36384 1
144 . 1 . 1 19 19 LEU HD11 H 1 0.897 0.004 . 2 . . . . A 327 LEU HD11 . 36384 1
145 . 1 . 1 19 19 LEU HD12 H 1 0.897 0.004 . 2 . . . . A 327 LEU HD12 . 36384 1
146 . 1 . 1 19 19 LEU HD13 H 1 0.897 0.004 . 2 . . . . A 327 LEU HD13 . 36384 1
147 . 1 . 1 19 19 LEU HD21 H 1 0.844 0 . 2 . . . . A 327 LEU HD21 . 36384 1
148 . 1 . 1 19 19 LEU HD22 H 1 0.844 0 . 2 . . . . A 327 LEU HD22 . 36384 1
149 . 1 . 1 19 19 LEU HD23 H 1 0.844 0 . 2 . . . . A 327 LEU HD23 . 36384 1
150 . 1 . 1 19 19 LEU CA C 13 56.807 0.09 . 1 . . . . A 327 LEU CA . 36384 1
151 . 1 . 1 19 19 LEU CB C 13 41.711 0.047 . 1 . . . . A 327 LEU CB . 36384 1
152 . 1 . 1 19 19 LEU CG C 13 26.531 0.03 . 1 . . . . A 327 LEU CG . 36384 1
153 . 1 . 1 19 19 LEU CD1 C 13 24.181 0.066 . 2 . . . . A 327 LEU CD1 . 36384 1
154 . 1 . 1 19 19 LEU CD2 C 13 23.131 0.001 . 2 . . . . A 327 LEU CD2 . 36384 1
155 . 1 . 1 19 19 LEU N N 15 121.069 0.016 . 1 . . . . A 327 LEU N . 36384 1
156 . 1 . 1 20 20 ALA H H 1 8.448 0.002 . 1 . . . . A 328 ALA H . 36384 1
157 . 1 . 1 20 20 ALA HA H 1 4.006 0.001 . 1 . . . . A 328 ALA HA . 36384 1
158 . 1 . 1 20 20 ALA HB1 H 1 1.412 0.002 . 1 . . . . A 328 ALA HB1 . 36384 1
159 . 1 . 1 20 20 ALA HB2 H 1 1.412 0.002 . 1 . . . . A 328 ALA HB2 . 36384 1
160 . 1 . 1 20 20 ALA HB3 H 1 1.412 0.002 . 1 . . . . A 328 ALA HB3 . 36384 1
161 . 1 . 1 20 20 ALA CA C 13 54.305 0.045 . 1 . . . . A 328 ALA CA . 36384 1
162 . 1 . 1 20 20 ALA CB C 13 18.095 0.06 . 1 . . . . A 328 ALA CB . 36384 1
163 . 1 . 1 20 20 ALA N N 15 120.005 0.021 . 1 . . . . A 328 ALA N . 36384 1
164 . 1 . 1 21 21 SER H H 1 8.023 0.003 . 1 . . . . A 329 SER H . 36384 1
165 . 1 . 1 21 21 SER HA H 1 4.027 0.008 . 1 . . . . A 329 SER HA . 36384 1
166 . 1 . 1 21 21 SER HB2 H 1 3.928 0.012 . 1 . . . . A 329 SER HB2 . 36384 1
167 . 1 . 1 21 21 SER CA C 13 61.486 0.08 . 1 . . . . A 329 SER CA . 36384 1
168 . 1 . 1 21 21 SER CB C 13 62.337 0.045 . 1 . . . . A 329 SER CB . 36384 1
169 . 1 . 1 21 21 SER N N 15 112.143 0.013 . 1 . . . . A 329 SER N . 36384 1
170 . 1 . 1 22 22 ASP H H 1 7.994 0.001 . 1 . . . . A 330 ASP H . 36384 1
171 . 1 . 1 22 22 ASP HA H 1 4.445 0.002 . 1 . . . . A 330 ASP HA . 36384 1
172 . 1 . 1 22 22 ASP HB2 H 1 2.819 0.005 . 2 . . . . A 330 ASP HB2 . 36384 1
173 . 1 . 1 22 22 ASP HB3 H 1 2.673 0.003 . 2 . . . . A 330 ASP HB3 . 36384 1
174 . 1 . 1 22 22 ASP CA C 13 56.795 0.073 . 1 . . . . A 330 ASP CA . 36384 1
175 . 1 . 1 22 22 ASP CB C 13 40.492 0.052 . 1 . . . . A 330 ASP CB . 36384 1
176 . 1 . 1 22 22 ASP N N 15 120.769 0.012 . 1 . . . . A 330 ASP N . 36384 1
177 . 1 . 1 23 23 LEU H H 1 8.01 0.001 . 1 . . . . A 331 LEU H . 36384 1
178 . 1 . 1 23 23 LEU HA H 1 4.107 0.003 . 1 . . . . A 331 LEU HA . 36384 1
179 . 1 . 1 23 23 LEU HB2 H 1 1.878 0.003 . 2 . . . . A 331 LEU HB2 . 36384 1
180 . 1 . 1 23 23 LEU HB3 H 1 1.552 0.004 . 2 . . . . A 331 LEU HB3 . 36384 1
181 . 1 . 1 23 23 LEU HD11 H 1 0.897 0 . 2 . . . . A 331 LEU HD11 . 36384 1
182 . 1 . 1 23 23 LEU HD12 H 1 0.897 0 . 2 . . . . A 331 LEU HD12 . 36384 1
183 . 1 . 1 23 23 LEU HD13 H 1 0.897 0 . 2 . . . . A 331 LEU HD13 . 36384 1
184 . 1 . 1 23 23 LEU HD21 H 1 0.845 0 . 2 . . . . A 331 LEU HD21 . 36384 1
185 . 1 . 1 23 23 LEU HD22 H 1 0.845 0 . 2 . . . . A 331 LEU HD22 . 36384 1
186 . 1 . 1 23 23 LEU HD23 H 1 0.845 0 . 2 . . . . A 331 LEU HD23 . 36384 1
187 . 1 . 1 23 23 LEU CA C 13 57.337 0.063 . 1 . . . . A 331 LEU CA . 36384 1
188 . 1 . 1 23 23 LEU CB C 13 41.748 0.061 . 1 . . . . A 331 LEU CB . 36384 1
189 . 1 . 1 23 23 LEU CG C 13 26.445 0.025 . 1 . . . . A 331 LEU CG . 36384 1
190 . 1 . 1 23 23 LEU CD1 C 13 24.813 0.047 . 2 . . . . A 331 LEU CD1 . 36384 1
191 . 1 . 1 23 23 LEU CD2 C 13 23.293 0.101 . 2 . . . . A 331 LEU CD2 . 36384 1
192 . 1 . 1 23 23 LEU N N 15 119.403 0.012 . 1 . . . . A 331 LEU N . 36384 1
193 . 1 . 1 24 24 LEU H H 1 8.152 0.003 . 1 . . . . A 332 LEU H . 36384 1
194 . 1 . 1 24 24 LEU HA H 1 4.101 0.005 . 1 . . . . A 332 LEU HA . 36384 1
195 . 1 . 1 24 24 LEU HB2 H 1 1.76 0.01 . 1 . . . . A 332 LEU HB2 . 36384 1
196 . 1 . 1 24 24 LEU CA C 13 57.594 0.064 . 1 . . . . A 332 LEU CA . 36384 1
197 . 1 . 1 24 24 LEU CB C 13 41.388 0.059 . 1 . . . . A 332 LEU CB . 36384 1
198 . 1 . 1 24 24 LEU CG C 13 26.809 0 . 1 . . . . A 332 LEU CG . 36384 1
199 . 1 . 1 24 24 LEU CD1 C 13 24.264 0 . 1 . . . . A 332 LEU CD1 . 36384 1
200 . 1 . 1 24 24 LEU N N 15 118.61 0.024 . 1 . . . . A 332 LEU N . 36384 1
201 . 1 . 1 25 25 LEU H H 1 8.278 0.002 . 1 . . . . A 333 LEU H . 36384 1
202 . 1 . 1 25 25 LEU HA H 1 4.005 0.006 . 1 . . . . A 333 LEU HA . 36384 1
203 . 1 . 1 25 25 LEU HB2 H 1 1.891 0.002 . 2 . . . . A 333 LEU HB2 . 36384 1
204 . 1 . 1 25 25 LEU HB3 H 1 1.695 0.006 . 2 . . . . A 333 LEU HB3 . 36384 1
205 . 1 . 1 25 25 LEU HD11 H 1 0.94 0 . 1 . . . . A 333 LEU HD11 . 36384 1
206 . 1 . 1 25 25 LEU HD12 H 1 0.94 0 . 1 . . . . A 333 LEU HD12 . 36384 1
207 . 1 . 1 25 25 LEU HD13 H 1 0.94 0 . 1 . . . . A 333 LEU HD13 . 36384 1
208 . 1 . 1 25 25 LEU CA C 13 57.881 0.045 . 1 . . . . A 333 LEU CA . 36384 1
209 . 1 . 1 25 25 LEU CB C 13 40.891 0.069 . 1 . . . . A 333 LEU CB . 36384 1
210 . 1 . 1 25 25 LEU CG C 13 26.689 0.057 . 1 . . . . A 333 LEU CG . 36384 1
211 . 1 . 1 25 25 LEU CD1 C 13 23.762 0.038 . 1 . . . . A 333 LEU CD1 . 36384 1
212 . 1 . 1 25 25 LEU N N 15 118.392 0.016 . 1 . . . . A 333 LEU N . 36384 1
213 . 1 . 1 26 26 GLN H H 1 8.113 0.003 . 1 . . . . A 334 GLN H . 36384 1
214 . 1 . 1 26 26 GLN HA H 1 3.99 0.002 . 1 . . . . A 334 GLN HA . 36384 1
215 . 1 . 1 26 26 GLN HB2 H 1 2.14 0.002 . 2 . . . . A 334 GLN HB2 . 36384 1
216 . 1 . 1 26 26 GLN HB3 H 1 2.052 0.002 . 2 . . . . A 334 GLN HB3 . 36384 1
217 . 1 . 1 26 26 GLN CA C 13 58.271 0.051 . 1 . . . . A 334 GLN CA . 36384 1
218 . 1 . 1 26 26 GLN CB C 13 27.898 0.062 . 1 . . . . A 334 GLN CB . 36384 1
219 . 1 . 1 26 26 GLN CG C 13 33.256 0.032 . 1 . . . . A 334 GLN CG . 36384 1
220 . 1 . 1 26 26 GLN N N 15 116.631 0.024 . 1 . . . . A 334 GLN N . 36384 1
221 . 1 . 1 27 27 TYR H H 1 7.971 0.002 . 1 . . . . A 335 TYR H . 36384 1
222 . 1 . 1 27 27 TYR HA H 1 4.272 0.002 . 1 . . . . A 335 TYR HA . 36384 1
223 . 1 . 1 27 27 TYR HB2 H 1 3.099 0.001 . 1 . . . . A 335 TYR HB2 . 36384 1
224 . 1 . 1 27 27 TYR CA C 13 60.676 0.072 . 1 . . . . A 335 TYR CA . 36384 1
225 . 1 . 1 27 27 TYR CB C 13 38.311 0.036 . 1 . . . . A 335 TYR CB . 36384 1
226 . 1 . 1 27 27 TYR N N 15 117.965 0.021 . 1 . . . . A 335 TYR N . 36384 1
227 . 1 . 1 28 28 LEU H H 1 8.221 0.003 . 1 . . . . A 336 LEU H . 36384 1
228 . 1 . 1 28 28 LEU HA H 1 4.099 0.001 . 1 . . . . A 336 LEU HA . 36384 1
229 . 1 . 1 28 28 LEU HB2 H 1 1.893 0.003 . 2 . . . . A 336 LEU HB2 . 36384 1
230 . 1 . 1 28 28 LEU HB3 H 1 1.56 0.003 . 2 . . . . A 336 LEU HB3 . 36384 1
231 . 1 . 1 28 28 LEU HD11 H 1 0.916 0 . 2 . . . . A 336 LEU HD11 . 36384 1
232 . 1 . 1 28 28 LEU HD12 H 1 0.916 0 . 2 . . . . A 336 LEU HD12 . 36384 1
233 . 1 . 1 28 28 LEU HD13 H 1 0.916 0 . 2 . . . . A 336 LEU HD13 . 36384 1
234 . 1 . 1 28 28 LEU HD21 H 1 0.844 0 . 2 . . . . A 336 LEU HD21 . 36384 1
235 . 1 . 1 28 28 LEU HD22 H 1 0.844 0 . 2 . . . . A 336 LEU HD22 . 36384 1
236 . 1 . 1 28 28 LEU HD23 H 1 0.844 0 . 2 . . . . A 336 LEU HD23 . 36384 1
237 . 1 . 1 28 28 LEU CA C 13 56.649 0.047 . 1 . . . . A 336 LEU CA . 36384 1
238 . 1 . 1 28 28 LEU CB C 13 42.071 0.056 . 1 . . . . A 336 LEU CB . 36384 1
239 . 1 . 1 28 28 LEU CG C 13 26.384 0.058 . 1 . . . . A 336 LEU CG . 36384 1
240 . 1 . 1 28 28 LEU CD1 C 13 24.85 0.069 . 2 . . . . A 336 LEU CD1 . 36384 1
241 . 1 . 1 28 28 LEU CD2 C 13 23.127 0.102 . 2 . . . . A 336 LEU CD2 . 36384 1
242 . 1 . 1 28 28 LEU N N 15 117.384 0.018 . 1 . . . . A 336 LEU N . 36384 1
243 . 1 . 1 29 29 LEU H H 1 8.041 0.003 . 1 . . . . A 337 LEU H . 36384 1
244 . 1 . 1 29 29 LEU HA H 1 4.287 0.003 . 1 . . . . A 337 LEU HA . 36384 1
245 . 1 . 1 29 29 LEU HB2 H 1 1.826 0.015 . 2 . . . . A 337 LEU HB2 . 36384 1
246 . 1 . 1 29 29 LEU HB3 H 1 1.588 0.005 . 2 . . . . A 337 LEU HB3 . 36384 1
247 . 1 . 1 29 29 LEU CA C 13 55.398 0.047 . 1 . . . . A 337 LEU CA . 36384 1
248 . 1 . 1 29 29 LEU CB C 13 41.442 0.068 . 1 . . . . A 337 LEU CB . 36384 1
249 . 1 . 1 29 29 LEU CG C 13 26.482 0 . 1 . . . . A 337 LEU CG . 36384 1
250 . 1 . 1 29 29 LEU CD1 C 13 24.856 0 . 2 . . . . A 337 LEU CD1 . 36384 1
251 . 1 . 1 29 29 LEU CD2 C 13 22.66 0 . 2 . . . . A 337 LEU CD2 . 36384 1
252 . 1 . 1 29 29 LEU N N 15 116.4 0.022 . 1 . . . . A 337 LEU N . 36384 1
253 . 1 . 1 30 30 GLN H H 1 7.834 0.002 . 1 . . . . A 338 GLN H . 36384 1
254 . 1 . 1 30 30 GLN HA H 1 4.258 0.005 . 1 . . . . A 338 GLN HA . 36384 1
255 . 1 . 1 30 30 GLN HB2 H 1 2.107 0.018 . 1 . . . . A 338 GLN HB2 . 36384 1
256 . 1 . 1 30 30 GLN HG2 H 1 2.369 0.013 . 1 . . . . A 338 GLN HG2 . 36384 1
257 . 1 . 1 30 30 GLN CA C 13 55.957 0.067 . 1 . . . . A 338 GLN CA . 36384 1
258 . 1 . 1 30 30 GLN CB C 13 28.238 0.038 . 1 . . . . A 338 GLN CB . 36384 1
259 . 1 . 1 30 30 GLN CG C 13 33.393 0.058 . 1 . . . . A 338 GLN CG . 36384 1
260 . 1 . 1 30 30 GLN N N 15 117.312 0.025 . 1 . . . . A 338 GLN N . 36384 1
261 . 1 . 1 31 31 GLY H H 1 8.187 0.005 . 1 . . . . A 339 GLY H . 36384 1
262 . 1 . 1 31 31 GLY HA2 H 1 3.886 0.007 . 1 . . . . A 339 GLY HA2 . 36384 1
263 . 1 . 1 31 31 GLY CA C 13 45.169 0.031 . 1 . . . . A 339 GLY CA . 36384 1
264 . 1 . 1 31 31 GLY N N 15 108.149 0.028 . 1 . . . . A 339 GLY N . 36384 1
265 . 1 . 1 32 32 GLY H H 1 8.166 0.003 . 1 . . . . A 340 GLY H . 36384 1
266 . 1 . 1 32 32 GLY HA2 H 1 3.85 0.006 . 1 . . . . A 340 GLY HA2 . 36384 1
267 . 1 . 1 32 32 GLY CA C 13 44.918 0.065 . 1 . . . . A 340 GLY CA . 36384 1
268 . 1 . 1 32 32 GLY N N 15 108.11 0.006 . 1 . . . . A 340 GLY N . 36384 1
269 . 1 . 1 33 33 ALA H H 1 8.128 0.002 . 1 . . . . A 341 ALA H . 36384 1
270 . 1 . 1 33 33 ALA HA H 1 4.24 0.008 . 1 . . . . A 341 ALA HA . 36384 1
271 . 1 . 1 33 33 ALA HB1 H 1 1.37 0.001 . 1 . . . . A 341 ALA HB1 . 36384 1
272 . 1 . 1 33 33 ALA HB2 H 1 1.37 0.001 . 1 . . . . A 341 ALA HB2 . 36384 1
273 . 1 . 1 33 33 ALA HB3 H 1 1.37 0.001 . 1 . . . . A 341 ALA HB3 . 36384 1
274 . 1 . 1 33 33 ALA CA C 13 52.443 0.04 . 1 . . . . A 341 ALA CA . 36384 1
275 . 1 . 1 33 33 ALA CB C 13 18.542 0.016 . 1 . . . . A 341 ALA CB . 36384 1
276 . 1 . 1 33 33 ALA N N 15 122.918 0.014 . 1 . . . . A 341 ALA N . 36384 1
277 . 1 . 1 34 34 ARG H H 1 8.152 0.003 . 1 . . . . A 342 ARG H . 36384 1
278 . 1 . 1 34 34 ARG HA H 1 4.227 0.002 . 1 . . . . A 342 ARG HA . 36384 1
279 . 1 . 1 34 34 ARG HB2 H 1 1.839 0.001 . 2 . . . . A 342 ARG HB2 . 36384 1
280 . 1 . 1 34 34 ARG HB3 H 1 1.761 0.001 . 2 . . . . A 342 ARG HB3 . 36384 1
281 . 1 . 1 34 34 ARG HG2 H 1 1.642 0.006 . 1 . . . . A 342 ARG HG2 . 36384 1
282 . 1 . 1 34 34 ARG HD2 H 1 3.174 0 . 1 . . . . A 342 ARG HD2 . 36384 1
283 . 1 . 1 34 34 ARG CA C 13 56.034 0.066 . 1 . . . . A 342 ARG CA . 36384 1
284 . 1 . 1 34 34 ARG CB C 13 29.956 0.046 . 1 . . . . A 342 ARG CB . 36384 1
285 . 1 . 1 34 34 ARG CG C 13 26.668 0.075 . 1 . . . . A 342 ARG CG . 36384 1
286 . 1 . 1 34 34 ARG CD C 13 42.723 0.044 . 1 . . . . A 342 ARG CD . 36384 1
287 . 1 . 1 34 34 ARG N N 15 118.596 0.019 . 1 . . . . A 342 ARG N . 36384 1
288 . 1 . 1 35 35 GLN H H 1 8.231 0.003 . 1 . . . . A 343 GLN H . 36384 1
289 . 1 . 1 35 35 GLN HA H 1 4.253 0.004 . 1 . . . . A 343 GLN HA . 36384 1
290 . 1 . 1 35 35 GLN HB2 H 1 1.994 0.004 . 2 . . . . A 343 GLN HB2 . 36384 1
291 . 1 . 1 35 35 GLN HB3 H 1 2.088 0.004 . 2 . . . . A 343 GLN HB3 . 36384 1
292 . 1 . 1 35 35 GLN HG2 H 1 2.348 0.005 . 1 . . . . A 343 GLN HG2 . 36384 1
293 . 1 . 1 35 35 GLN CA C 13 55.609 0.05 . 1 . . . . A 343 GLN CA . 36384 1
294 . 1 . 1 35 35 GLN CB C 13 28.709 0.082 . 1 . . . . A 343 GLN CB . 36384 1
295 . 1 . 1 35 35 GLN CG C 13 33.224 0.037 . 1 . . . . A 343 GLN CG . 36384 1
296 . 1 . 1 35 35 GLN N N 15 120.106 0.017 . 1 . . . . A 343 GLN N . 36384 1
297 . 1 . 1 36 36 ARG H H 1 8.199 0.003 . 1 . . . . A 344 ARG H . 36384 1
298 . 1 . 1 36 36 ARG HA H 1 4.298 0.005 . 1 . . . . A 344 ARG HA . 36384 1
299 . 1 . 1 36 36 ARG HB2 H 1 1.866 0.01 . 2 . . . . A 344 ARG HB2 . 36384 1
300 . 1 . 1 36 36 ARG HB3 H 1 1.769 0.004 . 2 . . . . A 344 ARG HB3 . 36384 1
301 . 1 . 1 36 36 ARG HG2 H 1 1.698 0.02 . 1 . . . . A 344 ARG HG2 . 36384 1
302 . 1 . 1 36 36 ARG HD2 H 1 3.166 0.005 . 1 . . . . A 344 ARG HD2 . 36384 1
303 . 1 . 1 36 36 ARG CA C 13 55.659 0.053 . 1 . . . . A 344 ARG CA . 36384 1
304 . 1 . 1 36 36 ARG CB C 13 30.291 0.044 . 1 . . . . A 344 ARG CB . 36384 1
305 . 1 . 1 36 36 ARG CG C 13 26.631 0.075 . 1 . . . . A 344 ARG CG . 36384 1
306 . 1 . 1 36 36 ARG CD C 13 42.796 0.057 . 1 . . . . A 344 ARG CD . 36384 1
307 . 1 . 1 36 36 ARG N N 15 121.036 0.014 . 1 . . . . A 344 ARG N . 36384 1
308 . 1 . 1 37 37 GLY H H 1 8.288 0.002 . 1 . . . . A 345 GLY H . 36384 1
309 . 1 . 1 37 37 GLY HA2 H 1 3.935 0.002 . 1 . . . . A 345 GLY HA2 . 36384 1
310 . 1 . 1 37 37 GLY CA C 13 44.825 0.066 . 1 . . . . A 345 GLY CA . 36384 1
311 . 1 . 1 37 37 GLY N N 15 108.99 0.022 . 1 . . . . A 345 GLY N . 36384 1
312 . 1 . 1 38 38 LEU H H 1 8.098 0.003 . 1 . . . . A 346 LEU H . 36384 1
313 . 1 . 1 38 38 LEU HA H 1 4.367 0.001 . 1 . . . . A 346 LEU HA . 36384 1
314 . 1 . 1 38 38 LEU HB2 H 1 1.611 0.003 . 1 . . . . A 346 LEU HB2 . 36384 1
315 . 1 . 1 38 38 LEU HG H 1 1.602 0.002 . 1 . . . . A 346 LEU HG . 36384 1
316 . 1 . 1 38 38 LEU HD11 H 1 0.897 0 . 2 . . . . A 346 LEU HD11 . 36384 1
317 . 1 . 1 38 38 LEU HD12 H 1 0.897 0 . 2 . . . . A 346 LEU HD12 . 36384 1
318 . 1 . 1 38 38 LEU HD13 H 1 0.897 0 . 2 . . . . A 346 LEU HD13 . 36384 1
319 . 1 . 1 38 38 LEU HD21 H 1 0.843 0.001 . 2 . . . . A 346 LEU HD21 . 36384 1
320 . 1 . 1 38 38 LEU HD22 H 1 0.843 0.001 . 2 . . . . A 346 LEU HD22 . 36384 1
321 . 1 . 1 38 38 LEU HD23 H 1 0.843 0.001 . 2 . . . . A 346 LEU HD23 . 36384 1
322 . 1 . 1 38 38 LEU CA C 13 54.436 0.055 . 1 . . . . A 346 LEU CA . 36384 1
323 . 1 . 1 38 38 LEU CB C 13 41.94 0.074 . 1 . . . . A 346 LEU CB . 36384 1
324 . 1 . 1 38 38 LEU CG C 13 26.386 0.047 . 1 . . . . A 346 LEU CG . 36384 1
325 . 1 . 1 38 38 LEU CD1 C 13 24.53 0.048 . 2 . . . . A 346 LEU CD1 . 36384 1
326 . 1 . 1 38 38 LEU CD2 C 13 22.771 0.065 . 2 . . . . A 346 LEU CD2 . 36384 1
327 . 1 . 1 38 38 LEU N N 15 121.374 0.024 . 1 . . . . A 346 LEU N . 36384 1
328 . 1 . 1 39 39 GLY H H 1 7.899 0.002 . 1 . . . . A 347 GLY H . 36384 1
329 . 1 . 1 39 39 GLY HA2 H 1 3.734 0.002 . 2 . . . . A 347 GLY HA2 . 36384 1
330 . 1 . 1 39 39 GLY HA3 H 1 3.682 0.002 . 2 . . . . A 347 GLY HA3 . 36384 1
331 . 1 . 1 39 39 GLY CA C 13 45.571 0.021 . 1 . . . . A 347 GLY CA . 36384 1
332 . 1 . 1 39 39 GLY N N 15 114.961 0.014 . 1 . . . . A 347 GLY N . 36384 1
stop_
save_