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 53020
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name GarQ_Run34_Ensemble
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '3D noesy-Chsqc' . . . 53020 1
2 '3D HCCH-TOCSY' . . . 53020 1
3 '2D 1H-15N HSQC' . . . 53020 1
4 '3D TOCSY-Nhsqc' . . . 53020 1
5 '3D HNCACB' . . . 53020 1
6 '3D noesy-Nhsqc' . . . 53020 1
7 '3D CBCA(CO)NH' . . . 53020 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 53020 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 1 1 GLU HA H 1 4.02157741 0.002694691162 . . . . . . . 1 GLU HA . 53020 1
2 . 1 . 1 1 1 GLU HB2 H 1 2.107132056 0.01038470946 . . . . . . . 1 GLU HB# . 53020 1
3 . 1 . 1 1 1 GLU HB3 H 1 2.107132056 0.01038470946 . . . . . . . 1 GLU HB# . 53020 1
4 . 1 . 1 1 1 GLU HG2 H 1 2.420052665 0.007955412686 . . . . . . . 1 GLU HG# . 53020 1
5 . 1 . 1 1 1 GLU HG3 H 1 2.420052665 0.007955412686 . . . . . . . 1 GLU HG# . 53020 1
6 . 1 . 1 1 1 GLU CA C 13 55.44069389 0.05777475737 . . . . . . . 1 GLU CA . 53020 1
7 . 1 . 1 1 1 GLU CB C 13 29.3708066 0.05648132109 . . . . . . . 1 GLU CB . 53020 1
8 . 1 . 1 1 1 GLU CG C 13 33.30796091 0.02544868008 . . . . . . . 1 GLU CG . 53020 1
9 . 1 . 1 2 2 TYR H H 1 8.517153909 0.007312272 . . . . . . . 2 TYR H . 53020 1
10 . 1 . 1 2 2 TYR HA H 1 4.558443543 0.01451766765 . . . . . . . 2 TYR HA . 53020 1
11 . 1 . 1 2 2 TYR HB2 H 1 2.947882433 0.001377944211 . . . . . . . 2 TYR HB# . 53020 1
12 . 1 . 1 2 2 TYR HB3 H 1 2.947882433 0.001377944211 . . . . . . . 2 TYR HB# . 53020 1
13 . 1 . 1 2 2 TYR CA C 13 58.46135692 0 . . . . . . . 2 TYR CA . 53020 1
14 . 1 . 1 2 2 TYR CB C 13 38.75466159 . . . . . . . . 2 TYR CB . 53020 1
15 . 1 . 1 2 2 TYR N N 15 122.5224915 0.04450583648 . . . . . . . 2 TYR N . 53020 1
16 . 1 . 1 3 3 HIS H H 1 8.124661549 0.002689890572 . . . . . . . 3 HIS H . 53020 1
17 . 1 . 1 3 3 HIS HA H 1 4.685684337 0.006178603594 . . . . . . . 3 HIS HA . 53020 1
18 . 1 . 1 3 3 HIS HB2 H 1 3.225876674 0.0019896137 . . . . . . . 3 HIS HB2 . 53020 1
19 . 1 . 1 3 3 HIS HB3 H 1 3.090572768 0.0000638 . . . . . . . 3 HIS HB3 . 53020 1
20 . 1 . 1 3 3 HIS CA C 13 55.01268523 0 . . . . . . . 3 HIS CA . 53020 1
21 . 1 . 1 3 3 HIS CB C 13 29.39398131 . . . . . . . . 3 HIS CB . 53020 1
22 . 1 . 1 3 3 HIS N N 15 119.8948315 0.08485827149 . . . . . . . 3 HIS N . 53020 1
23 . 1 . 1 4 4 LEU H H 1 8.031085657 0.0017764698 . . . . . . . 4 LEU H . 53020 1
24 . 1 . 1 4 4 LEU HA H 1 4.331186891 0.005343536882 . . . . . . . 4 LEU HA . 53020 1
25 . 1 . 1 4 4 LEU HB2 H 1 1.624474882 0.006801379816 . . . . . . . 4 LEU HB . 53020 1
26 . 1 . 1 4 4 LEU HB3 H 1 1.624474882 0.006801379816 . . . . . . . 4 LEU HB . 53020 1
27 . 1 . 1 4 4 LEU HD11 H 1 0.9509790698 0.004166470641 . . . . . . . 4 LEU HD1# . 53020 1
28 . 1 . 1 4 4 LEU HD12 H 1 0.9509790698 0.004166470641 . . . . . . . 4 LEU HD1# . 53020 1
29 . 1 . 1 4 4 LEU HD13 H 1 0.9509790698 0.004166470641 . . . . . . . 4 LEU HD1# . 53020 1
30 . 1 . 1 4 4 LEU HD21 H 1 0.901855648 0.007912750046 . . . . . . . 4 LEU HD2# . 53020 1
31 . 1 . 1 4 4 LEU HD22 H 1 0.901855648 0.007912750046 . . . . . . . 4 LEU HD2# . 53020 1
32 . 1 . 1 4 4 LEU HD23 H 1 0.901855648 0.007912750046 . . . . . . . 4 LEU HD2# . 53020 1
33 . 1 . 1 4 4 LEU CA C 13 55.50535262 0 . . . . . . . 4 LEU CA . 53020 1
34 . 1 . 1 4 4 LEU CB C 13 42.69600065 0 . . . . . . . 4 LEU CB . 53020 1
35 . 1 . 1 4 4 LEU CD1 C 13 24.92933047 . . . . . . . . 4 LEU CD1 . 53020 1
36 . 1 . 1 4 4 LEU CD2 C 13 23.48197271 . . . . . . . . 4 LEU CD2 . 53020 1
37 . 1 . 1 4 4 LEU N N 15 122.642105 0.0000013 . . . . . . . 4 LEU N . 53020 1
38 . 1 . 1 5 5 MET H H 1 8.184789669 0.003663950092 . . . . . . . 5 MET H . 53020 1
39 . 1 . 1 5 5 MET HA H 1 4.520034638 0.003093571492 . . . . . . . 5 MET HA . 53020 1
40 . 1 . 1 5 5 MET HB2 H 1 2.123759397 0.008021585482 . . . . . . . 5 MET HB2 . 53020 1
41 . 1 . 1 5 5 MET HB3 H 1 2.021099216 0.00967012473 . . . . . . . 5 MET HB3 . 53020 1
42 . 1 . 1 5 5 MET HG2 H 1 2.582172112 0 . . . . . . . 5 MET HG2 . 53020 1
43 . 1 . 1 5 5 MET HG3 H 1 2.52741641 0.0000000298 . . . . . . . 5 MET HG3 . 53020 1
44 . 1 . 1 5 5 MET HE1 H 1 2.076702636 0.002976327997 . . . . . . . 5 MET HE# . 53020 1
45 . 1 . 1 5 5 MET HE2 H 1 2.076702636 0.002976327997 . . . . . . . 5 MET HE# . 53020 1
46 . 1 . 1 5 5 MET HE3 H 1 2.076702636 0.002976327997 . . . . . . . 5 MET HE# . 53020 1
47 . 1 . 1 5 5 MET CA C 13 55.50535262 0 . . . . . . . 5 MET CA . 53020 1
48 . 1 . 1 5 5 MET CB C 13 32.84265299 0 . . . . . . . 5 MET CB . 53020 1
49 . 1 . 1 5 5 MET CG C 13 31.85731822 . . . . . . . . 5 MET CG . 53020 1
50 . 1 . 1 5 5 MET CE C 13 16.58462935 . . . . . . . . 5 MET CE . 53020 1
51 . 1 . 1 5 5 MET N N 15 119.7439397 0.113122119 . . . . . . . 5 MET N . 53020 1
52 . 1 . 1 6 6 ASN H H 1 8.22846404 0.001895849489 . . . . . . . 6 ASN H . 53020 1
53 . 1 . 1 6 6 ASN HA H 1 4.714349939 0.009160750331 . . . . . . . 6 ASN HA . 53020 1
54 . 1 . 1 6 6 ASN HB2 H 1 2.824781623 0.005610019747 . . . . . . . 6 ASN HB# . 53020 1
55 . 1 . 1 6 6 ASN HB3 H 1 2.824781623 0.005610019747 . . . . . . . 6 ASN HB# . 53020 1
56 . 1 . 1 6 6 ASN CA C 13 53.3 0 . . . . . . . 6 ASN CA . 53020 1
57 . 1 . 1 6 6 ASN CB C 13 38.8 . . . . . . . . 6 ASN CB . 53020 1
58 . 1 . 1 6 6 ASN N N 15 118.6641371 0.04360682424 . . . . . . . 6 ASN N . 53020 1
59 . 1 . 1 7 7 GLY H H 1 8.306138431 0.005688482865 . . . . . . . 7 GLY H . 53020 1
60 . 1 . 1 7 7 GLY HA2 H 1 3.988774289 0.0104910009 . . . . . . . 7 GLY HA# . 53020 1
61 . 1 . 1 7 7 GLY HA3 H 1 3.988774289 0.0104910009 . . . . . . . 7 GLY HA# . 53020 1
62 . 1 . 1 7 7 GLY CA C 13 45.7 0.000000674 . . . . . . . 7 GLY CA . 53020 1
63 . 1 . 1 7 7 GLY N N 15 108.4018045 0.03367834431 . . . . . . . 7 GLY N . 53020 1
64 . 1 . 1 8 8 ALA H H 1 8.111734212 0.007176945672 . . . . . . . 8 ALA H . 53020 1
65 . 1 . 1 8 8 ALA HA H 1 4.311067831 0.01240218309 . . . . . . . 8 ALA HA . 53020 1
66 . 1 . 1 8 8 ALA HB1 H 1 1.433474042 0.0136827407 . . . . . . . 8 ALA HB# . 53020 1
67 . 1 . 1 8 8 ALA HB2 H 1 1.433474042 0.0136827407 . . . . . . . 8 ALA HB# . 53020 1
68 . 1 . 1 8 8 ALA HB3 H 1 1.433474042 0.0136827407 . . . . . . . 8 ALA HB# . 53020 1
69 . 1 . 1 8 8 ALA CA C 13 53.3618317 0 . . . . . . . 8 ALA CA . 53020 1
70 . 1 . 1 8 8 ALA CB C 13 18.61092013 . . . . . . . . 8 ALA CB . 53020 1
71 . 1 . 1 8 8 ALA N N 15 123.1035637 0.04427071791 . . . . . . . 8 ALA N . 53020 1
72 . 1 . 1 9 9 ASN H H 1 8.190510554 0.004695964902 . . . . . . . 9 ASN H . 53020 1
73 . 1 . 1 9 9 ASN HA H 1 4.670921386 0.01305763146 . . . . . . . 9 ASN HA . 53020 1
74 . 1 . 1 9 9 ASN HB2 H 1 2.834469887 0.007204985417 . . . . . . . 9 ASN HB# . 53020 1
75 . 1 . 1 9 9 ASN HB3 H 1 2.834469887 0.007204985417 . . . . . . . 9 ASN HB# . 53020 1
76 . 1 . 1 9 9 ASN CA C 13 53.9 0 . . . . . . . 9 ASN CA . 53020 1
77 . 1 . 1 9 9 ASN CB C 13 38.6 . . . . . . . . 9 ASN CB . 53020 1
78 . 1 . 1 9 9 ASN N N 15 115.6016703 0.02406033625 . . . . . . . 9 ASN N . 53020 1
79 . 1 . 1 10 10 GLY H H 1 8.276548259 0.001032323312 . . . . . . . 10 GLY H . 53020 1
80 . 1 . 1 10 10 GLY HA2 H 1 3.95555391 0.01047193336 . . . . . . . 10 GLY HA2 . 53020 1
81 . 1 . 1 10 10 GLY HA3 H 1 3.817698815 0.004949571415 . . . . . . . 10 GLY HA3 . 53020 1
82 . 1 . 1 10 10 GLY CA C 13 46.3 0 . . . . . . . 10 GLY CA . 53020 1
83 . 1 . 1 10 10 GLY N N 15 107.5919094 0.03495918534 . . . . . . . 10 GLY N . 53020 1
84 . 1 . 1 11 11 TYR H H 1 7.932765487 0.001135171247 . . . . . . . 11 TYR H . 53020 1
85 . 1 . 1 11 11 TYR HA H 1 4.395395993 0.002307672162 . . . . . . . 11 TYR HA . 53020 1
86 . 1 . 1 11 11 TYR HB2 H 1 3.071250277 0.01133657595 . . . . . . . 11 TYR HB# . 53020 1
87 . 1 . 1 11 11 TYR HB3 H 1 3.071250277 0.01133657595 . . . . . . . 11 TYR HB# . 53020 1
88 . 1 . 1 11 11 TYR CA C 13 59.92891976 0 . . . . . . . 11 TYR CA . 53020 1
89 . 1 . 1 11 11 TYR CB C 13 38.41578408 . . . . . . . . 11 TYR CB . 53020 1
90 . 1 . 1 11 11 TYR N N 15 120.1534833 0.02797301521 . . . . . . . 11 TYR N . 53020 1
91 . 1 . 1 12 12 LEU H H 1 8.049952681 0.002558484625 . . . . . . . 12 LEU H . 53020 1
92 . 1 . 1 12 12 LEU HA H 1 4.273612896 0.009675116491 . . . . . . . 12 LEU HA . 53020 1
93 . 1 . 1 12 12 LEU HB2 H 1 1.725747815 0.01402482188 . . . . . . . 12 LEU HB2 . 53020 1
94 . 1 . 1 12 12 LEU HB3 H 1 1.58281957 0.004531441225 . . . . . . . 12 LEU HB3 . 53020 1
95 . 1 . 1 12 12 LEU HG H 1 1.657907858 0.0002242824902 . . . . . . . 12 LEU HG . 53020 1
96 . 1 . 1 12 12 LEU HD11 H 1 0.9102000435 0.008208740878 . . . . . . . 12 LEU HD1# . 53020 1
97 . 1 . 1 12 12 LEU HD12 H 1 0.9102000435 0.008208740878 . . . . . . . 12 LEU HD1# . 53020 1
98 . 1 . 1 12 12 LEU HD13 H 1 0.9102000435 0.008208740878 . . . . . . . 12 LEU HD1# . 53020 1
99 . 1 . 1 12 12 LEU HD21 H 1 0.8849981606 0.007933705435 . . . . . . . 12 LEU HD2# . 53020 1
100 . 1 . 1 12 12 LEU HD22 H 1 0.8849981606 0.007933705435 . . . . . . . 12 LEU HD2# . 53020 1
101 . 1 . 1 12 12 LEU HD23 H 1 0.8849981606 0.007933705435 . . . . . . . 12 LEU HD2# . 53020 1
102 . 1 . 1 12 12 LEU CA C 13 56.91996119 0.222663676 . . . . . . . 12 LEU CA . 53020 1
103 . 1 . 1 12 12 LEU CB C 13 42.38234372 0.2027549721 . . . . . . . 12 LEU CB . 53020 1
104 . 1 . 1 12 12 LEU CG C 13 26.93064439 . . . . . . . . 12 LEU CG . 53020 1
105 . 1 . 1 12 12 LEU N N 15 119.3259733 0.02767420058 . . . . . . . 12 LEU N . 53020 1
106 . 1 . 1 13 13 THR H H 1 7.949076515 0.001230398269 . . . . . . . 13 THR H . 53020 1
107 . 1 . 1 13 13 THR HA H 1 4.259901164 0.01076691501 . . . . . . . 13 THR HA . 53020 1
108 . 1 . 1 13 13 THR HB H 1 4.247376086 0.007780830763 . . . . . . . 13 THR HB . 53020 1
109 . 1 . 1 13 13 THR HG21 H 1 1.234144286 0.004897724507 . . . . . . . 13 THR HG2# . 53020 1
110 . 1 . 1 13 13 THR HG22 H 1 1.234144286 0.004897724507 . . . . . . . 13 THR HG2# . 53020 1
111 . 1 . 1 13 13 THR HG23 H 1 1.234144286 0.004897724507 . . . . . . . 13 THR HG2# . 53020 1
112 . 1 . 1 13 13 THR CA C 13 63.29768168 0.254448446 . . . . . . . 13 THR CA . 53020 1
113 . 1 . 1 13 13 THR CB C 13 70.08902075 0.6890207471 . . . . . . . 13 THR CB . 53020 1
114 . 1 . 1 13 13 THR CG2 C 13 21.0186358 . . . . . . . . 13 THR CG2 . 53020 1
115 . 1 . 1 13 13 THR N N 15 112.2953251 0.03708295954 . . . . . . . 13 THR N . 53020 1
116 . 1 . 1 14 14 ARG H H 1 7.79288009 0.002746523134 . . . . . . . 14 ARG H . 53020 1
117 . 1 . 1 14 14 ARG HA H 1 4.40301945 0.005431234519 . . . . . . . 14 ARG HA . 53020 1
118 . 1 . 1 14 14 ARG HB2 H 1 1.83860126 0.008594579929 . . . . . . . 14 ARG HB2 . 53020 1
119 . 1 . 1 14 14 ARG HB3 H 1 1.809995639 0.009310749597 . . . . . . . 14 ARG HB3 . 53020 1
120 . 1 . 1 14 14 ARG HG2 H 1 1.613933361 0.007464437139 . . . . . . . 14 ARG HG2 . 53020 1
121 . 1 . 1 14 14 ARG HG3 H 1 1.512689351 0.003061132884 . . . . . . . 14 ARG HG3 . 53020 1
122 . 1 . 1 14 14 ARG HD2 H 1 3.082700737 0.0116098665 . . . . . . . 14 ARG HD# . 53020 1
123 . 1 . 1 14 14 ARG HD3 H 1 3.082700737 0.0116098665 . . . . . . . 14 ARG HD# . 53020 1
124 . 1 . 1 14 14 ARG CA C 13 57.16521729 0.2045093781 . . . . . . . 14 ARG CA . 53020 1
125 . 1 . 1 14 14 ARG CB C 13 30.75856629 . . . . . . . . 14 ARG CB . 53020 1
126 . 1 . 1 14 14 ARG CG C 13 27.42331178 . . . . . . . . 14 ARG CG . 53020 1
127 . 1 . 1 14 14 ARG CD C 13 43.18866804 . . . . . . . . 14 ARG CD . 53020 1
128 . 1 . 1 14 14 ARG N N 15 121.0911792 0.0423912675 . . . . . . . 14 ARG N . 53020 1
129 . 1 . 1 15 15 VAL H H 1 7.960630688 0.004685637217 . . . . . . . 15 VAL H . 53020 1
130 . 1 . 1 15 15 VAL HA H 1 3.991003792 0.001275368918 . . . . . . . 15 VAL HA . 53020 1
131 . 1 . 1 15 15 VAL HB H 1 2.055557785 0.009110423965 . . . . . . . 15 VAL HB . 53020 1
132 . 1 . 1 15 15 VAL HG11 H 1 0.9006391797 0.01361622066 . . . . . . . 15 VAL HG# . 53020 1
133 . 1 . 1 15 15 VAL HG12 H 1 0.9006391797 0.01361622066 . . . . . . . 15 VAL HG# . 53020 1
134 . 1 . 1 15 15 VAL HG13 H 1 0.9006391797 0.01361622066 . . . . . . . 15 VAL HG# . 53020 1
135 . 1 . 1 15 15 VAL HG21 H 1 0.9006391797 0.01361622066 . . . . . . . 15 VAL HG# . 53020 1
136 . 1 . 1 15 15 VAL HG22 H 1 0.9006391797 0.01361622066 . . . . . . . 15 VAL HG# . 53020 1
137 . 1 . 1 15 15 VAL HG23 H 1 0.9006391797 0.01361622066 . . . . . . . 15 VAL HG# . 53020 1
138 . 1 . 1 15 15 VAL CA C 13 63.93984336 0 . . . . . . . 15 VAL CA . 53020 1
139 . 1 . 1 15 15 VAL CB C 13 32.21708397 . . . . . . . . 15 VAL CB . 53020 1
140 . 1 . 1 15 15 VAL N N 15 117.7370756 0.07672244902 . . . . . . . 15 VAL N . 53020 1
141 . 1 . 1 16 16 ASN H H 1 8.181066004 0.001457407014 . . . . . . . 16 ASN H . 53020 1
142 . 1 . 1 16 16 ASN HA H 1 4.66014193 0.01159499845 . . . . . . . 16 ASN HA . 53020 1
143 . 1 . 1 16 16 ASN HB2 H 1 2.755488396 . . . . . . . . 16 ASN HB# . 53020 1
144 . 1 . 1 16 16 ASN HB3 H 1 2.755488396 . . . . . . . . 16 ASN HB# . 53020 1
145 . 1 . 1 16 16 ASN CA C 13 55.39266738 0 . . . . . . . 16 ASN CA . 53020 1
146 . 1 . 1 16 16 ASN CB C 13 38.870121 . . . . . . . . 16 ASN CB . 53020 1
147 . 1 . 1 16 16 ASN N N 15 120.0300309 0.04732882005 . . . . . . . 16 ASN N . 53020 1
148 . 1 . 1 17 17 GLY H H 1 8.199509474 0.005303261806 . . . . . . . 17 GLY H . 53020 1
149 . 1 . 1 17 17 GLY HA2 H 1 3.944462401 0.003000727708 . . . . . . . 17 GLY HA# . 53020 1
150 . 1 . 1 17 17 GLY HA3 H 1 3.944462401 0.003000727708 . . . . . . . 17 GLY HA# . 53020 1
151 . 1 . 1 17 17 GLY CA C 13 46.3 0.000001168 . . . . . . . 17 GLY CA . 53020 1
152 . 1 . 1 17 17 GLY N N 15 108.3951879 0.03790059926 . . . . . . . 17 GLY N . 53020 1
153 . 1 . 1 18 18 LYS H H 1 7.932903838 0.001480089767 . . . . . . . 18 LYS H . 53020 1
154 . 1 . 1 18 18 LYS HA H 1 4.231320952 0.0132580286 . . . . . . . 18 LYS HA . 53020 1
155 . 1 . 1 18 18 LYS HB2 H 1 1.806666571 0.007427165993 . . . . . . . 18 LYS HB# . 53020 1
156 . 1 . 1 18 18 LYS HB3 H 1 1.806666571 0.007427165993 . . . . . . . 18 LYS HB# . 53020 1
157 . 1 . 1 18 18 LYS HG2 H 1 1.357927462 0.006760082556 . . . . . . . 18 LYS HG# . 53020 1
158 . 1 . 1 18 18 LYS HG3 H 1 1.357927462 0.006760082556 . . . . . . . 18 LYS HG# . 53020 1
159 . 1 . 1 18 18 LYS HD2 H 1 1.654504377 0.003179198298 . . . . . . . 18 LYS HD# . 53020 1
160 . 1 . 1 18 18 LYS HD3 H 1 1.654504377 0.003179198298 . . . . . . . 18 LYS HD# . 53020 1
161 . 1 . 1 18 18 LYS HE2 H 1 2.957836325 0.006876234236 . . . . . . . 18 LYS HE# . 53020 1
162 . 1 . 1 18 18 LYS HE3 H 1 2.957836325 0.006876234236 . . . . . . . 18 LYS HE# . 53020 1
163 . 1 . 1 18 18 LYS CB C 13 32.84265299 0 . . . . . . . 18 LYS CB . 53020 1
164 . 1 . 1 18 18 LYS CG C 13 24.95997486 . . . . . . . . 18 LYS CG . 53020 1
165 . 1 . 1 18 18 LYS CD C 13 29.39398131 . . . . . . . . 18 LYS CD . 53020 1
166 . 1 . 1 18 18 LYS CE C 13 42.20333327 . . . . . . . . 18 LYS CE . 53020 1
167 . 1 . 1 18 18 LYS N N 15 119.6639653 0.1273345247 . . . . . . . 18 LYS N . 53020 1
168 . 1 . 1 19 19 TYR H H 1 7.845327366 0.001352121694 . . . . . . . 19 TYR H . 53020 1
169 . 1 . 1 19 19 TYR HA H 1 4.469047098 0.004039994738 . . . . . . . 19 TYR HA . 53020 1
170 . 1 . 1 19 19 TYR HB2 H 1 3.072885684 0.0111915728 . . . . . . . 19 TYR HB# . 53020 1
171 . 1 . 1 19 19 TYR HB3 H 1 3.072885684 0.0111915728 . . . . . . . 19 TYR HB# . 53020 1
172 . 1 . 1 19 19 TYR CA C 13 59.92891976 0 . . . . . . . 19 TYR CA . 53020 1
173 . 1 . 1 19 19 TYR CB C 13 38.41578408 . . . . . . . . 19 TYR CB . 53020 1
174 . 1 . 1 19 19 TYR N N 15 119.1246547 0.1701908007 . . . . . . . 19 TYR N . 53020 1
175 . 1 . 1 20 20 VAL H H 1 7.90454091 0.005814203152 . . . . . . . 20 VAL H . 53020 1
176 . 1 . 1 20 20 VAL HA H 1 3.829356736 0.008909738253 . . . . . . . 20 VAL HA . 53020 1
177 . 1 . 1 20 20 VAL HB H 1 2.050744154 0.006096003829 . . . . . . . 20 VAL HB . 53020 1
178 . 1 . 1 20 20 VAL CA C 13 64.6691022 0 . . . . . . . 20 VAL CA . 53020 1
179 . 1 . 1 20 20 VAL CB C 13 32.59953751 . . . . . . . . 20 VAL CB . 53020 1
180 . 1 . 1 20 20 VAL N N 15 118.6993757 0.04118890011 . . . . . . . 20 VAL N . 53020 1
181 . 1 . 1 21 21 TYR H H 1 8.05619758 0.003900203414 . . . . . . . 21 TYR H . 53020 1
182 . 1 . 1 21 21 TYR HA H 1 4.343410784 0.0106677855 . . . . . . . 21 TYR HA . 53020 1
183 . 1 . 1 21 21 TYR HB2 H 1 3.06293344 0.008870316714 . . . . . . . 21 TYR HB# . 53020 1
184 . 1 . 1 21 21 TYR HB3 H 1 3.06293344 0.008870316714 . . . . . . . 21 TYR HB# . 53020 1
185 . 1 . 1 21 21 TYR CA C 13 59.92891976 0 . . . . . . . 21 TYR CA . 53020 1
186 . 1 . 1 21 21 TYR CB C 13 38.41578408 . . . . . . . . 21 TYR CB . 53020 1
187 . 1 . 1 21 21 TYR N N 15 121.5635022 0.04586057244 . . . . . . . 21 TYR N . 53020 1
188 . 1 . 1 22 22 ARG H H 1 7.870944571 0.002208070707 . . . . . . . 22 ARG H . 53020 1
189 . 1 . 1 22 22 ARG HA H 1 4.157528011 0.01358265221 . . . . . . . 22 ARG HA . 53020 1
190 . 1 . 1 22 22 ARG HB2 H 1 1.828389615 0.01030861524 . . . . . . . 22 ARG HB# . 53020 1
191 . 1 . 1 22 22 ARG HB3 H 1 1.828389615 0.01030861524 . . . . . . . 22 ARG HB# . 53020 1
192 . 1 . 1 22 22 ARG HG2 H 1 1.671329948 0.003133346501 . . . . . . . 22 ARG HG2 . 53020 1
193 . 1 . 1 22 22 ARG HG3 H 1 1.599680364 0.01794728806 . . . . . . . 22 ARG HG3 . 53020 1
194 . 1 . 1 22 22 ARG HD2 H 1 3.141781974 0.01085013966 . . . . . . . 22 ARG HD# . 53020 1
195 . 1 . 1 22 22 ARG HD3 H 1 3.141781974 0.01085013966 . . . . . . . 22 ARG HD# . 53020 1
196 . 1 . 1 22 22 ARG CA C 13 57.47602215 0.00000095 . . . . . . . 22 ARG CA . 53020 1
197 . 1 . 1 22 22 ARG CB C 13 30.63296017 0.2390232922 . . . . . . . 22 ARG CB . 53020 1
198 . 1 . 1 22 22 ARG CG C 13 27.6 . . . . . . . . 22 ARG CG . 53020 1
199 . 1 . 1 22 22 ARG CD C 13 43.18866804 . . . . . . . . 22 ARG CD . 53020 1
200 . 1 . 1 22 22 ARG N N 15 119.8201191 0.07508564649 . . . . . . . 22 ARG N . 53020 1
201 . 1 . 1 23 23 VAL H H 1 8.007331217 0.004667729709 . . . . . . . 23 VAL H . 53020 1
202 . 1 . 1 23 23 VAL HA H 1 3.942377699 0.001994573877 . . . . . . . 23 VAL HA . 53020 1
203 . 1 . 1 23 23 VAL HB H 1 2.031133294 0.01147379347 . . . . . . . 23 VAL HB . 53020 1
204 . 1 . 1 23 23 VAL HG11 H 1 0.906097255 0.01380116287 . . . . . . . 23 VAL HG# . 53020 1
205 . 1 . 1 23 23 VAL HG12 H 1 0.906097255 0.01380116287 . . . . . . . 23 VAL HG# . 53020 1
206 . 1 . 1 23 23 VAL HG13 H 1 0.906097255 0.01380116287 . . . . . . . 23 VAL HG# . 53020 1
207 . 1 . 1 23 23 VAL HG21 H 1 0.906097255 0.01380116287 . . . . . . . 23 VAL HG# . 53020 1
208 . 1 . 1 23 23 VAL HG22 H 1 0.906097255 0.01380116287 . . . . . . . 23 VAL HG# . 53020 1
209 . 1 . 1 23 23 VAL HG23 H 1 0.906097255 0.01380116287 . . . . . . . 23 VAL HG# . 53020 1
210 . 1 . 1 23 23 VAL CA C 13 63.93984336 . . . . . . . . 23 VAL CA . 53020 1
211 . 1 . 1 23 23 VAL CB C 13 32.58171338 . . . . . . . . 23 VAL CB . 53020 1
212 . 1 . 1 23 23 VAL N N 15 119.0788061 0.05871120646 . . . . . . . 23 VAL N . 53020 1
213 . 1 . 1 24 24 THR H H 1 7.849016341 0.006652465075 . . . . . . . 24 THR H . 53020 1
214 . 1 . 1 24 24 THR HA H 1 4.279362944 0.00624975324 . . . . . . . 24 THR HA . 53020 1
215 . 1 . 1 24 24 THR HB H 1 4.228417336 0.008126946771 . . . . . . . 24 THR HB . 53020 1
216 . 1 . 1 24 24 THR HG21 H 1 1.227838696 0.004627371235 . . . . . . . 24 THR HG2# . 53020 1
217 . 1 . 1 24 24 THR HG22 H 1 1.227838696 0.004627371235 . . . . . . . 24 THR HG2# . 53020 1
218 . 1 . 1 24 24 THR HG23 H 1 1.227838696 0.004627371235 . . . . . . . 24 THR HG2# . 53020 1
219 . 1 . 1 24 24 THR CA C 13 62.89536336 0.00000095 . . . . . . . 24 THR CA . 53020 1
220 . 1 . 1 24 24 THR CB C 13 70.77804149 . . . . . . . . 24 THR CB . 53020 1
221 . 1 . 1 24 24 THR CG2 C 13 21.99266738 . . . . . . . . 24 THR CG2 . 53020 1
222 . 1 . 1 24 24 THR N N 15 112.6982623 0.06218741382 . . . . . . . 24 THR N . 53020 1
223 . 1 . 1 25 25 LYS H H 1 7.829001969 0.0007771620037 . . . . . . . 25 LYS H . 53020 1
224 . 1 . 1 25 25 LYS HA H 1 4.282312903 0.007620269409 . . . . . . . 25 LYS HA . 53020 1
225 . 1 . 1 25 25 LYS HB2 H 1 1.798775256 0.002135562427 . . . . . . . 25 LYS HB# . 53020 1
226 . 1 . 1 25 25 LYS HB3 H 1 1.798775256 0.002135562427 . . . . . . . 25 LYS HB# . 53020 1
227 . 1 . 1 25 25 LYS HG2 H 1 1.346568149 0.005908631691 . . . . . . . 25 LYS HG# . 53020 1
228 . 1 . 1 25 25 LYS HG3 H 1 1.346568149 0.005908631691 . . . . . . . 25 LYS HG# . 53020 1
229 . 1 . 1 25 25 LYS HD2 H 1 1.60894055 0.003234717298 . . . . . . . 25 LYS HD# . 53020 1
230 . 1 . 1 25 25 LYS HD3 H 1 1.60894055 0.003234717298 . . . . . . . 25 LYS HD# . 53020 1
231 . 1 . 1 25 25 LYS HE2 H 1 2.914092722 0.000089 . . . . . . . 25 LYS HE# . 53020 1
232 . 1 . 1 25 25 LYS HE3 H 1 2.914092722 0.000089 . . . . . . . 25 LYS HE# . 53020 1
233 . 1 . 1 25 25 LYS CA C 13 56.49331742 0.2232379845 . . . . . . . 25 LYS CA . 53020 1
234 . 1 . 1 25 25 LYS CB C 13 32.58171338 . . . . . . . . 25 LYS CB . 53020 1
235 . 1 . 1 25 25 LYS CG C 13 24.46730748 . . . . . . . . 25 LYS CG . 53020 1
236 . 1 . 1 25 25 LYS CD C 13 28.90131393 . . . . . . . . 25 LYS CD . 53020 1
237 . 1 . 1 25 25 LYS CE C 13 42.39266738 . . . . . . . . 25 LYS CE . 53020 1
238 . 1 . 1 25 25 LYS N N 15 120.7500714 0.02913005691 . . . . . . . 25 LYS N . 53020 1
239 . 1 . 1 26 26 ASP H H 1 7.92390659 0.004143671487 . . . . . . . 26 ASP H . 53020 1
240 . 1 . 1 26 26 ASP HA H 1 4.991676083 0.003529903671 . . . . . . . 26 ASP HA . 53020 1
241 . 1 . 1 26 26 ASP HB2 H 1 2.973221517 0.005403670576 . . . . . . . 26 ASP HB2 . 53020 1
242 . 1 . 1 26 26 ASP HB3 H 1 2.783368961 0.003568862024 . . . . . . . 26 ASP HB3 . 53020 1
243 . 1 . 1 26 26 ASP CA C 13 51.56401355 0.0000015 . . . . . . . 26 ASP CA . 53020 1
244 . 1 . 1 26 26 ASP CB C 13 39.24732897 0 . . . . . . . 26 ASP CB . 53020 1
245 . 1 . 1 26 26 ASP N N 15 118.3729828 0.03754107867 . . . . . . . 26 ASP N . 53020 1
246 . 1 . 1 27 27 PRO HA H 1 4.417890148 0.009195465447 . . . . . . . 27 PRO HA . 53020 1
247 . 1 . 1 27 27 PRO HB2 H 1 2.325091714 0.001053625364 . . . . . . . 27 PRO HB2 . 53020 1
248 . 1 . 1 27 27 PRO HB3 H 1 2.009346399 . . . . . . . . 27 PRO HB3 . 53020 1
249 . 1 . 1 27 27 PRO HG2 H 1 2.059089681 0.002955946904 . . . . . . . 27 PRO HG# . 53020 1
250 . 1 . 1 27 27 PRO HG3 H 1 2.059089681 0.002955946904 . . . . . . . 27 PRO HG# . 53020 1
251 . 1 . 1 27 27 PRO HD2 H 1 3.839566309 0.001275595984 . . . . . . . 27 PRO HD# . 53020 1
252 . 1 . 1 27 27 PRO HD3 H 1 3.839566309 0.001275595984 . . . . . . . 27 PRO HD# . 53020 1
253 . 1 . 1 27 27 PRO CA C 13 64.8660329 0.0000013 . . . . . . . 27 PRO CA . 53020 1
254 . 1 . 1 27 27 PRO CB C 13 31.85731822 . . . . . . . . 27 PRO CB . 53020 1
255 . 1 . 1 27 27 PRO CG C 13 26.93064439 0 . . . . . . . 27 PRO CG . 53020 1
256 . 1 . 1 27 27 PRO CD C 13 50.57867878 . . . . . . . . 27 PRO CD . 53020 1
257 . 1 . 1 28 28 VAL H H 1 7.599788457 0.002215298424 . . . . . . . 28 VAL H . 53020 1
258 . 1 . 1 28 28 VAL HA H 1 3.850051145 0.006030236211 . . . . . . . 28 VAL HA . 53020 1
259 . 1 . 1 28 28 VAL HB H 1 2.106025308 0.01097978048 . . . . . . . 28 VAL HB . 53020 1
260 . 1 . 1 28 28 VAL HG11 H 1 0.9558002156 0.01348392841 . . . . . . . 28 VAL HG# . 53020 1
261 . 1 . 1 28 28 VAL HG12 H 1 0.9558002156 0.01348392841 . . . . . . . 28 VAL HG# . 53020 1
262 . 1 . 1 28 28 VAL HG13 H 1 0.9558002156 0.01348392841 . . . . . . . 28 VAL HG# . 53020 1
263 . 1 . 1 28 28 VAL HG21 H 1 0.9558002156 0.01348392841 . . . . . . . 28 VAL HG# . 53020 1
264 . 1 . 1 28 28 VAL HG22 H 1 0.9558002156 0.01348392841 . . . . . . . 28 VAL HG# . 53020 1
265 . 1 . 1 28 28 VAL HG23 H 1 0.9558002156 0.01348392841 . . . . . . . 28 VAL HG# . 53020 1
266 . 1 . 1 28 28 VAL CA C 13 65.03373161 . . . . . . . . 28 VAL CA . 53020 1
267 . 1 . 1 28 28 VAL CB C 13 31.85245455 . . . . . . . . 28 VAL CB . 53020 1
268 . 1 . 1 28 28 VAL N N 15 116.3721055 0.02700232297 . . . . . . . 28 VAL N . 53020 1
269 . 1 . 1 29 29 SER H H 1 7.836738546 0.0009200407543 . . . . . . . 29 SER H . 53020 1
270 . 1 . 1 29 29 SER HA H 1 4.234746208 0.003335882568 . . . . . . . 29 SER HA . 53020 1
271 . 1 . 1 29 29 SER HB2 H 1 3.985481602 0.01296664912 . . . . . . . 29 SER HB2 . 53020 1
272 . 1 . 1 29 29 SER HB3 H 1 3.924360175 0.003808932633 . . . . . . . 29 SER HB3 . 53020 1
273 . 1 . 1 29 29 SER CA C 13 60.52135097 0.06919047366 . . . . . . . 29 SER CA . 53020 1
274 . 1 . 1 29 29 SER CB C 13 62.9 0 . . . . . . . 29 SER CB . 53020 1
275 . 1 . 1 29 29 SER N N 15 114.6804282 0.03496358271 . . . . . . . 29 SER N . 53020 1
276 . 1 . 1 30 30 ALA H H 1 7.829829771 0.0008975002158 . . . . . . . 30 ALA H . 53020 1
277 . 1 . 1 30 30 ALA HA H 1 4.243119507 0.008032670872 . . . . . . . 30 ALA HA . 53020 1
278 . 1 . 1 30 30 ALA HB1 H 1 1.487500491 0.01029391956 . . . . . . . 30 ALA HB# . 53020 1
279 . 1 . 1 30 30 ALA HB2 H 1 1.487500491 0.01029391956 . . . . . . . 30 ALA HB# . 53020 1
280 . 1 . 1 30 30 ALA HB3 H 1 1.487500491 0.01029391956 . . . . . . . 30 ALA HB# . 53020 1
281 . 1 . 1 30 30 ALA CA C 13 54.52001785 0 . . . . . . . 30 ALA CA . 53020 1
282 . 1 . 1 30 30 ALA CB C 13 18.55529888 . . . . . . . . 30 ALA CB . 53020 1
283 . 1 . 1 30 30 ALA N N 15 124.5976033 0.04980578079 . . . . . . . 30 ALA N . 53020 1
284 . 1 . 1 31 31 VAL H H 1 7.749760523 0.0003057285677 . . . . . . . 31 VAL H . 53020 1
285 . 1 . 1 31 31 VAL HA H 1 3.773575357 0.003266345477 . . . . . . . 31 VAL HA . 53020 1
286 . 1 . 1 31 31 VAL HB H 1 2.117422448 0.007036518151 . . . . . . . 31 VAL HB . 53020 1
287 . 1 . 1 31 31 VAL HG11 H 1 0.979518086 0.01518959021 . . . . . . . 31 VAL HG1# . 53020 1
288 . 1 . 1 31 31 VAL HG12 H 1 0.979518086 0.01518959021 . . . . . . . 31 VAL HG1# . 53020 1
289 . 1 . 1 31 31 VAL HG13 H 1 0.979518086 0.01518959021 . . . . . . . 31 VAL HG1# . 53020 1
290 . 1 . 1 31 31 VAL HG21 H 1 0.8276861638 0.006879820564 . . . . . . . 31 VAL HG2# . 53020 1
291 . 1 . 1 31 31 VAL HG22 H 1 0.8276861638 0.006879820564 . . . . . . . 31 VAL HG2# . 53020 1
292 . 1 . 1 31 31 VAL HG23 H 1 0.8276861638 0.006879820564 . . . . . . . 31 VAL HG2# . 53020 1
293 . 1 . 1 31 31 VAL CA C 13 65.39836103 0 . . . . . . . 31 VAL CA . 53020 1
294 . 1 . 1 31 31 VAL CB C 13 31.85245455 . . . . . . . . 31 VAL CB . 53020 1
295 . 1 . 1 31 31 VAL CG1 C 13 20.98533477 . . . . . . . . 31 VAL CG1 . 53020 1
296 . 1 . 1 31 31 VAL CG2 C 13 20.52596841 . . . . . . . . 31 VAL CG2 . 53020 1
297 . 1 . 1 31 31 VAL N N 15 117.0341344 0.0649598554 . . . . . . . 31 VAL N . 53020 1
298 . 1 . 1 32 32 PHE H H 1 8.102161874 0.003098038629 . . . . . . . 32 PHE H . 53020 1
299 . 1 . 1 32 32 PHE HA H 1 4.326090472 0.004689424462 . . . . . . . 32 PHE HA . 53020 1
300 . 1 . 1 32 32 PHE HB2 H 1 3.138085366 0.01009396807 . . . . . . . 32 PHE HB# . 53020 1
301 . 1 . 1 32 32 PHE HB3 H 1 3.138085366 0.01009396807 . . . . . . . 32 PHE HB# . 53020 1
302 . 1 . 1 32 32 PHE CA C 13 60.43202645 0.00000095 . . . . . . . 32 PHE CA . 53020 1
303 . 1 . 1 32 32 PHE CB C 13 38.75466159 . . . . . . . . 32 PHE CB . 53020 1
304 . 1 . 1 32 32 PHE N N 15 118.8697858 0.03596278089 . . . . . . . 32 PHE N . 53020 1
305 . 1 . 1 33 33 GLY H H 1 8.182626216 0.002062649298 . . . . . . . 33 GLY H . 53020 1
306 . 1 . 1 33 33 GLY HA2 H 1 3.89970245 0.002137842632 . . . . . . . 33 GLY HA2 . 53020 1
307 . 1 . 1 33 33 GLY HA3 H 1 3.69533999 0.01812987086 . . . . . . . 33 GLY HA3 . 53020 1
308 . 1 . 1 33 33 GLY CA C 13 46.9 0 . . . . . . . 33 GLY CA . 53020 1
309 . 1 . 1 33 33 GLY N N 15 107.6535709 0.0331240885 . . . . . . . 33 GLY N . 53020 1
310 . 1 . 1 34 34 VAL H H 1 7.681247508 0.006561482355 . . . . . . . 34 VAL H . 53020 1
311 . 1 . 1 34 34 VAL HA H 1 3.856641159 0.005697299318 . . . . . . . 34 VAL HA . 53020 1
312 . 1 . 1 34 34 VAL HB H 1 2.235127746 0.008501343703 . . . . . . . 34 VAL HB . 53020 1
313 . 1 . 1 34 34 VAL HG11 H 1 1.024748529 0.01798466554 . . . . . . . 34 VAL HG1# . 53020 1
314 . 1 . 1 34 34 VAL HG12 H 1 1.024748529 0.01798466554 . . . . . . . 34 VAL HG1# . 53020 1
315 . 1 . 1 34 34 VAL HG13 H 1 1.024748529 0.01798466554 . . . . . . . 34 VAL HG1# . 53020 1
316 . 1 . 1 34 34 VAL HG21 H 1 0.9137815277 0.009435463844 . . . . . . . 34 VAL HG2# . 53020 1
317 . 1 . 1 34 34 VAL HG22 H 1 0.9137815277 0.009435463844 . . . . . . . 34 VAL HG2# . 53020 1
318 . 1 . 1 34 34 VAL HG23 H 1 0.9137815277 0.009435463844 . . . . . . . 34 VAL HG2# . 53020 1
319 . 1 . 1 34 34 VAL CA C 13 65.39836103 0 . . . . . . . 34 VAL CA . 53020 1
320 . 1 . 1 34 34 VAL CB C 13 32.21708397 . . . . . . . . 34 VAL CB . 53020 1
321 . 1 . 1 34 34 VAL CG1 C 13 21.51130318 . . . . . . . . 34 VAL CG1 . 53020 1
322 . 1 . 1 34 34 VAL CG2 C 13 20.52596841 . . . . . . . . 34 VAL CG2 . 53020 1
323 . 1 . 1 34 34 VAL N N 15 120.565977 0.06221149336 . . . . . . . 34 VAL N . 53020 1
324 . 1 . 1 35 35 ILE H H 1 8.06022274 0.00125365327 . . . . . . . 35 ILE H . 53020 1
325 . 1 . 1 35 35 ILE HA H 1 3.881278812 0.003906266747 . . . . . . . 35 ILE HA . 53020 1
326 . 1 . 1 35 35 ILE HB H 1 1.84263948 0.003926271696 . . . . . . . 35 ILE HB . 53020 1
327 . 1 . 1 35 35 ILE HG12 H 1 1.5613578 0.01029915309 . . . . . . . 35 ILE HG12 . 53020 1
328 . 1 . 1 35 35 ILE HG13 H 1 1.207132069 0.004819609341 . . . . . . . 35 ILE HG13 . 53020 1
329 . 1 . 1 35 35 ILE HG21 H 1 0.8759669555 0.01464587743 . . . . . . . 35 ILE HG2# . 53020 1
330 . 1 . 1 35 35 ILE HG22 H 1 0.8759669555 0.01464587743 . . . . . . . 35 ILE HG2# . 53020 1
331 . 1 . 1 35 35 ILE HG23 H 1 0.8759669555 0.01464587743 . . . . . . . 35 ILE HG2# . 53020 1
332 . 1 . 1 35 35 ILE HD11 H 1 0.8101078599 0.003584938898 . . . . . . . 35 ILE HD1# . 53020 1
333 . 1 . 1 35 35 ILE HD12 H 1 0.8101078599 0.003584938898 . . . . . . . 35 ILE HD1# . 53020 1
334 . 1 . 1 35 35 ILE HD13 H 1 0.8101078599 0.003584938898 . . . . . . . 35 ILE HD1# . 53020 1
335 . 1 . 1 35 35 ILE CA C 13 63.88069813 0.000000674 . . . . . . . 35 ILE CA . 53020 1
336 . 1 . 1 35 35 ILE CB C 13 38.26199421 0 . . . . . . . 35 ILE CB . 53020 1
337 . 1 . 1 35 35 ILE CG1 C 13 27.91597916 0 . . . . . . . 35 ILE CG1 . 53020 1
338 . 1 . 1 35 35 ILE CG2 C 13 16.58462935 0 . . . . . . . 35 ILE CG2 . 53020 1
339 . 1 . 1 35 35 ILE CD1 C 13 12.64329028 . . . . . . . . 35 ILE CD1 . 53020 1
340 . 1 . 1 35 35 ILE N N 15 118.8872204 0.0527375602 . . . . . . . 35 ILE N . 53020 1
341 . 1 . 1 36 36 SER H H 1 8.016426251 0.002321583848 . . . . . . . 36 SER H . 53020 1
342 . 1 . 1 36 36 SER HA H 1 4.021605763 0.004882140656 . . . . . . . 36 SER HA . 53020 1
343 . 1 . 1 36 36 SER HB2 H 1 3.772201711 0.006542785384 . . . . . . . 36 SER HB2 . 53020 1
344 . 1 . 1 36 36 SER HB3 H 1 3.487750243 0.001263773916 . . . . . . . 36 SER HB3 . 53020 1
345 . 1 . 1 36 36 SER CA C 13 59.93935906 0 . . . . . . . 36 SER CA . 53020 1
346 . 1 . 1 36 36 SER CB C 13 63.38803075 0 . . . . . . . 36 SER CB . 53020 1
347 . 1 . 1 36 36 SER N N 15 114.0686084 0.1425742319 . . . . . . . 36 SER N . 53020 1
348 . 1 . 1 37 37 ASN H H 1 7.707936697 0.004088748456 . . . . . . . 37 ASN H . 53020 1
349 . 1 . 1 37 37 ASN HA H 1 4.670336564 0.0131473192 . . . . . . . 37 ASN HA . 53020 1
350 . 1 . 1 37 37 ASN HB2 H 1 2.73793881 0.002662679073 . . . . . . . 37 ASN HB# . 53020 1
351 . 1 . 1 37 37 ASN HB3 H 1 2.73793881 0.002662679073 . . . . . . . 37 ASN HB# . 53020 1
352 . 1 . 1 37 37 ASN CA C 13 54.5 0 . . . . . . . 37 ASN CA . 53020 1
353 . 1 . 1 37 37 ASN CB C 13 39.24732897 . . . . . . . . 37 ASN CB . 53020 1
354 . 1 . 1 37 37 ASN N N 15 119.1783524 0.05356720399 . . . . . . . 37 ASN N . 53020 1
355 . 1 . 1 38 38 GLY H H 1 8.143713833 0.001577253037 . . . . . . . 38 GLY H . 53020 1
356 . 1 . 1 38 38 GLY HA2 H 1 3.918727222 0.006523727368 . . . . . . . 38 GLY HA2 . 53020 1
357 . 1 . 1 38 38 GLY HA3 H 1 3.715245786 0.005417133614 . . . . . . . 38 GLY HA3 . 53020 1
358 . 1 . 1 38 38 GLY CA C 13 46 0 . . . . . . . 38 GLY CA . 53020 1
359 . 1 . 1 38 38 GLY N N 15 107.7171945 0.08534891519 . . . . . . . 38 GLY N . 53020 1
360 . 1 . 1 39 39 TRP H H 1 7.934001708 0.0004526818361 . . . . . . . 39 TRP H . 53020 1
361 . 1 . 1 39 39 TRP HA H 1 4.596166707 0.004477271376 . . . . . . . 39 TRP HA . 53020 1
362 . 1 . 1 39 39 TRP HB2 H 1 3.319911378 0.00150944075 . . . . . . . 39 TRP HB# . 53020 1
363 . 1 . 1 39 39 TRP HB3 H 1 3.319911378 0.00150944075 . . . . . . . 39 TRP HB# . 53020 1
364 . 1 . 1 39 39 TRP CA C 13 57.96868953 0 . . . . . . . 39 TRP CA . 53020 1
365 . 1 . 1 39 39 TRP CB C 13 29.39398131 . . . . . . . . 39 TRP CB . 53020 1
366 . 1 . 1 39 39 TRP N N 15 120.7708088 0.04602511941 . . . . . . . 39 TRP N . 53020 1
367 . 1 . 1 40 40 GLY H H 1 8.140885397 0.01011739304 . . . . . . . 40 GLY H . 53020 1
368 . 1 . 1 40 40 GLY HA2 H 1 3.86174906 0.004969174777 . . . . . . . 40 GLY HA# . 53020 1
369 . 1 . 1 40 40 GLY HA3 H 1 3.86174906 0.004969174777 . . . . . . . 40 GLY HA# . 53020 1
370 . 1 . 1 40 40 GLY CA C 13 45.8 0.000000674 . . . . . . . 40 GLY CA . 53020 1
371 . 1 . 1 40 40 GLY N N 15 108.4140803 0.03757475299 . . . . . . . 40 GLY N . 53020 1
372 . 1 . 1 41 41 SER H H 1 7.938359877 0.003237171342 . . . . . . . 41 SER H . 53020 1
373 . 1 . 1 41 41 SER HA H 1 4.442272386 0.004419701246 . . . . . . . 41 SER HA . 53020 1
374 . 1 . 1 41 41 SER HB2 H 1 3.938633318 0.003596671112 . . . . . . . 41 SER HB2 . 53020 1
375 . 1 . 1 41 41 SER HB3 H 1 3.876881001 0.005371620404 . . . . . . . 41 SER HB3 . 53020 1
376 . 1 . 1 41 41 SER CA C 13 58.9540243 0 . . . . . . . 41 SER CA . 53020 1
377 . 1 . 1 41 41 SER CB C 13 63.9 . . . . . . . . 41 SER CB . 53020 1
378 . 1 . 1 41 41 SER N N 15 114.8631034 0.02908358875 . . . . . . . 41 SER N . 53020 1
379 . 1 . 1 42 42 ALA H H 1 8.122575047 0.005652345398 . . . . . . . 42 ALA H . 53020 1
380 . 1 . 1 42 42 ALA HA H 1 4.311086815 0.003801945819 . . . . . . . 42 ALA HA . 53020 1
381 . 1 . 1 42 42 ALA HB1 H 1 1.40968506 0.01092147446 . . . . . . . 42 ALA HB# . 53020 1
382 . 1 . 1 42 42 ALA HB2 H 1 1.40968506 0.01092147446 . . . . . . . 42 ALA HB# . 53020 1
383 . 1 . 1 42 42 ALA HB3 H 1 1.40968506 0.01092147446 . . . . . . . 42 ALA HB# . 53020 1
384 . 1 . 1 42 42 ALA CA C 13 53.0420157 0 . . . . . . . 42 ALA CA . 53020 1
385 . 1 . 1 42 42 ALA CB C 13 18.55529888 0 . . . . . . . 42 ALA CB . 53020 1
386 . 1 . 1 42 42 ALA N N 15 124.8285797 0.04020768333 . . . . . . . 42 ALA N . 53020 1
387 . 1 . 1 43 43 GLY H H 1 8.10431486 0.006784437047 . . . . . . . 43 GLY H . 53020 1
388 . 1 . 1 43 43 GLY HA2 H 1 3.899089082 0.006451448382 . . . . . . . 43 GLY HA# . 53020 1
389 . 1 . 1 43 43 GLY HA3 H 1 3.899089082 0.006451448382 . . . . . . . 43 GLY HA# . 53020 1
390 . 1 . 1 43 43 GLY CA C 13 45.4 0 . . . . . . . 43 GLY CA . 53020 1
391 . 1 . 1 43 43 GLY N N 15 106.4072792 0.04130205148 . . . . . . . 43 GLY N . 53020 1
392 . 1 . 1 44 44 ALA H H 1 7.8535937 0.00551737339 . . . . . . . 44 ALA H . 53020 1
393 . 1 . 1 44 44 ALA HA H 1 4.283790329 0.008731190956 . . . . . . . 44 ALA HA . 53020 1
394 . 1 . 1 44 44 ALA HB1 H 1 1.373377037 0.01111688768 . . . . . . . 44 ALA HB# . 53020 1
395 . 1 . 1 44 44 ALA HB2 H 1 1.373377037 0.01111688768 . . . . . . . 44 ALA HB# . 53020 1
396 . 1 . 1 44 44 ALA HB3 H 1 1.373377037 0.01111688768 . . . . . . . 44 ALA HB# . 53020 1
397 . 1 . 1 44 44 ALA CA C 13 53.0420157 0 . . . . . . . 44 ALA CA . 53020 1
398 . 1 . 1 44 44 ALA CB C 13 18.87398313 0.1739831313 . . . . . . . 44 ALA CB . 53020 1
399 . 1 . 1 44 44 ALA N N 15 122.8258678 0.03428896538 . . . . . . . 44 ALA N . 53020 1
400 . 1 . 1 45 45 GLY H H 1 8.052298283 0.001794170199 . . . . . . . 45 GLY H . 53020 1
401 . 1 . 1 45 45 GLY HA2 H 1 3.804607606 0.008313551025 . . . . . . . 45 GLY HA# . 53020 1
402 . 1 . 1 45 45 GLY HA3 H 1 3.804607606 0.008313551025 . . . . . . . 45 GLY HA# . 53020 1
403 . 1 . 1 45 45 GLY CA C 13 45.20169294 0.1016929418 . . . . . . . 45 GLY CA . 53020 1
404 . 1 . 1 45 45 GLY N N 15 106.3048264 0.04704630507 . . . . . . . 45 GLY N . 53020 1
405 . 1 . 1 46 46 PHE H H 1 7.818892998 0.006919746153 . . . . . . . 46 PHE H . 53020 1
406 . 1 . 1 46 46 PHE HA H 1 4.680408643 0.002866345908 . . . . . . . 46 PHE HA . 53020 1
407 . 1 . 1 46 46 PHE HB2 H 1 3.17247419 0.00529565491 . . . . . . . 46 PHE HB2 . 53020 1
408 . 1 . 1 46 46 PHE HB3 H 1 2.988291741 0.006225562702 . . . . . . . 46 PHE HB3 . 53020 1
409 . 1 . 1 46 46 PHE CA C 13 57.47602215 0 . . . . . . . 46 PHE CA . 53020 1
410 . 1 . 1 46 46 PHE CB C 13 39.73999636 0 . . . . . . . 46 PHE CB . 53020 1
411 . 1 . 1 46 46 PHE N N 15 118.9229742 0.02589028339 . . . . . . . 46 PHE N . 53020 1
412 . 1 . 1 47 47 GLY H H 1 7.937853953 0.0009801218294 . . . . . . . 47 GLY H . 53020 1
413 . 1 . 1 47 47 GLY HA2 H 1 4.124695727 0.003466861872 . . . . . . . 47 GLY HA2 . 53020 1
414 . 1 . 1 47 47 GLY HA3 H 1 3.914001769 0.003853617759 . . . . . . . 47 GLY HA3 . 53020 1
415 . 1 . 1 47 47 GLY CA C 13 44.60508676 0.07111041158 . . . . . . . 47 GLY CA . 53020 1
416 . 1 . 1 47 47 GLY N N 15 109.1946749 0.03240303293 . . . . . . . 47 GLY N . 53020 1
417 . 1 . 1 48 48 PRO HA H 1 4.413587394 0.01866360066 . . . . . . . 48 PRO HA . 53020 1
418 . 1 . 1 48 48 PRO HB2 H 1 2.243788282 . . . . . . . . 48 PRO HB2 . 53020 1
419 . 1 . 1 48 48 PRO HB3 H 1 1.939013835 . . . . . . . . 48 PRO HB3 . 53020 1
420 . 1 . 1 48 48 PRO HG2 H 1 1.985902211 0 . . . . . . . 48 PRO HG# . 53020 1
421 . 1 . 1 48 48 PRO HG3 H 1 1.985902211 0 . . . . . . . 48 PRO HG# . 53020 1
422 . 1 . 1 48 48 PRO HD2 H 1 3.618574177 0.005564548666 . . . . . . . 48 PRO HD2 . 53020 1
423 . 1 . 1 48 48 PRO HD3 H 1 3.488235959 0.003770368485 . . . . . . . 48 PRO HD3 . 53020 1
424 . 1 . 1 48 48 PRO CA C 13 63.38803075 0 . . . . . . . 48 PRO CA . 53020 1
425 . 1 . 1 48 48 PRO CB C 13 31.85731822 0 . . . . . . . 48 PRO CB . 53020 1
426 . 1 . 1 48 48 PRO CG C 13 26.93064439 0 . . . . . . . 48 PRO CG . 53020 1
427 . 1 . 1 48 48 PRO CD C 13 49.59334402 0 . . . . . . . 48 PRO CD . 53020 1
428 . 1 . 1 49 49 GLN H H 1 8.265998572 0.004278287672 . . . . . . . 49 GLN H . 53020 1
429 . 1 . 1 49 49 GLN HA H 1 4.295812795 0.005330840773 . . . . . . . 49 GLN HA . 53020 1
430 . 1 . 1 49 49 GLN HB2 H 1 2.1057179 0.002133848043 . . . . . . . 49 GLN HB2 . 53020 1
431 . 1 . 1 49 49 GLN HB3 H 1 1.956307077 0.00394015414 . . . . . . . 49 GLN HB3 . 53020 1
432 . 1 . 1 49 49 GLN HG2 H 1 2.357470076 0.006152494439 . . . . . . . 49 GLN HG# . 53020 1
433 . 1 . 1 49 49 GLN HG3 H 1 2.357470076 0.006152494439 . . . . . . . 49 GLN HG# . 53020 1
434 . 1 . 1 49 49 GLN CA C 13 55.4 0 . . . . . . . 49 GLN CA . 53020 1
435 . 1 . 1 49 49 GLN CB C 13 29.36265421 0.04430321386 . . . . . . . 49 GLN CB . 53020 1
436 . 1 . 1 49 49 GLN CG C 13 33.82798776 0 . . . . . . . 49 GLN CG . 53020 1
437 . 1 . 1 49 49 GLN N N 15 119.5901187 0.03981043174 . . . . . . . 49 GLN N . 53020 1
438 . 1 . 1 50 50 HIS H H 1 8.022274285 0.006198444361 . . . . . . . 50 HIS H . 53020 1
439 . 1 . 1 50 50 HIS HA H 1 4.557958387 0.005860976337 . . . . . . . 50 HIS HA . 53020 1
440 . 1 . 1 50 50 HIS HB2 H 1 3.286567643 0.01710141549 . . . . . . . 50 HIS HB2 . 53020 1
441 . 1 . 1 50 50 HIS HB3 H 1 3.139360367 0.003774820065 . . . . . . . 50 HIS HB3 . 53020 1
442 . 1 . 1 50 50 HIS CA C 13 55.39266738 0 . . . . . . . 50 HIS CA . 53020 1
443 . 1 . 1 50 50 HIS CB C 13 29.39398131 0 . . . . . . . 50 HIS CB . 53020 1
444 . 1 . 1 50 50 HIS N N 15 120.8730499 0.03426889933 . . . . . . . 50 HIS N . 53020 1
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