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 50683
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name chemical_shift1
_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 '2D 1H-15N HSQC' . . . 50683 1
2 '2D 1H-13C HSQC' . . . 50683 1
3 '3D HNCO' . . . 50683 1
4 '3D HNCA' . . . 50683 1
5 '3D HNCACB' . . . 50683 1
6 '3D HN(CA)CO' . . . 50683 1
7 '3D C(CO)NH' . . . 50683 1
8 '3D 1H-15N NOESY' . . . 50683 1
9 '3D H(CCO)NH' . . . 50683 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 . . 50683 1
2 $software_2 . . 50683 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 ASN H H 1 8.533 0.020 . 1 . . . . . 1 ASN H . 50683 1
2 . 1 . 1 1 1 ASN HA H 1 4.857 0.020 . 1 . . . . . 1 ASN HA . 50683 1
3 . 1 . 1 1 1 ASN HB2 H 1 2.899 0.020 . 1 . . . . . 1 ASN HB2 . 50683 1
4 . 1 . 1 1 1 ASN HB3 H 1 2.899 0.020 . 1 . . . . . 1 ASN HB3 . 50683 1
5 . 1 . 1 1 1 ASN HD21 H 1 7.537 0.020 . 1 . . . . . 1 ASN HD21 . 50683 1
6 . 1 . 1 1 1 ASN HD22 H 1 6.715 0.020 . 1 . . . . . 1 ASN HD22 . 50683 1
7 . 1 . 1 1 1 ASN C C 13 175.377 0.3 . 1 . . . . . 1 ASN C . 50683 1
8 . 1 . 1 1 1 ASN CA C 13 53.815 0.3 . 1 . . . . . 1 ASN CA . 50683 1
9 . 1 . 1 1 1 ASN CB C 13 38.973 0.3 . 1 . . . . . 1 ASN CB . 50683 1
10 . 1 . 1 1 1 ASN N N 15 119.979 0.3 . 1 . . . . . 1 ASN N . 50683 1
11 . 1 . 1 1 1 ASN ND2 N 15 111.901 0.3 . 1 . . . . . 1 ASN ND2 . 50683 1
12 . 1 . 1 2 2 THR H H 1 8.100 0.020 . 1 . . . . . 2 THR H . 50683 1
13 . 1 . 1 2 2 THR HA H 1 4.420 0.020 . 1 . . . . . 2 THR HA . 50683 1
14 . 1 . 1 2 2 THR HB H 1 4.390 0.020 . 1 . . . . . 2 THR HB . 50683 1
15 . 1 . 1 2 2 THR HG21 H 1 1.279 0.020 . 1 . . . . . 2 THR HG2 . 50683 1
16 . 1 . 1 2 2 THR HG22 H 1 1.279 0.020 . 1 . . . . . 2 THR HG2 . 50683 1
17 . 1 . 1 2 2 THR HG23 H 1 1.279 0.020 . 1 . . . . . 2 THR HG2 . 50683 1
18 . 1 . 1 2 2 THR C C 13 175.198 0.3 . 1 . . . . . 2 THR C . 50683 1
19 . 1 . 1 2 2 THR CA C 13 62.452 0.3 . 1 . . . . . 2 THR CA . 50683 1
20 . 1 . 1 2 2 THR CB C 13 69.983 0.3 . 1 . . . . . 2 THR CB . 50683 1
21 . 1 . 1 2 2 THR CG2 C 13 21.412 0.3 . 1 . . . . . 2 THR CG2 . 50683 1
22 . 1 . 1 2 2 THR N N 15 113.435 0.3 . 1 . . . . . 2 THR N . 50683 1
23 . 1 . 1 3 3 LEU H H 1 8.240 0.020 . 1 . . . . . 3 LEU H . 50683 1
24 . 1 . 1 3 3 LEU HA H 1 4.214 0.020 . 1 . . . . . 3 LEU HA . 50683 1
25 . 1 . 1 3 3 LEU HB2 H 1 1.638 0.020 . 2 . . . . . 3 LEU HB2 . 50683 1
26 . 1 . 1 3 3 LEU HB3 H 1 1.523 0.020 . 2 . . . . . 3 LEU HB3 . 50683 1
27 . 1 . 1 3 3 LEU HG H 1 1.462 0.020 . 1 . . . . . 3 LEU HG . 50683 1
28 . 1 . 1 3 3 LEU HD11 H 1 0.847 0.020 . 1 . . . . . 3 LEU HD1 . 50683 1
29 . 1 . 1 3 3 LEU HD12 H 1 0.847 0.020 . 1 . . . . . 3 LEU HD1 . 50683 1
30 . 1 . 1 3 3 LEU HD13 H 1 0.847 0.020 . 1 . . . . . 3 LEU HD1 . 50683 1
31 . 1 . 1 3 3 LEU HD21 H 1 0.847 0.020 . 1 . . . . . 3 LEU HD2 . 50683 1
32 . 1 . 1 3 3 LEU HD22 H 1 0.847 0.020 . 1 . . . . . 3 LEU HD2 . 50683 1
33 . 1 . 1 3 3 LEU HD23 H 1 0.847 0.020 . 1 . . . . . 3 LEU HD2 . 50683 1
34 . 1 . 1 3 3 LEU C C 13 177.909 0.3 . 1 . . . . . 3 LEU C . 50683 1
35 . 1 . 1 3 3 LEU CA C 13 57.345 0.3 . 1 . . . . . 3 LEU CA . 50683 1
36 . 1 . 1 3 3 LEU CB C 13 42.238 0.3 . 1 . . . . . 3 LEU CB . 50683 1
37 . 1 . 1 3 3 LEU CG C 13 26.855 0.3 . 1 . . . . . 3 LEU CG . 50683 1
38 . 1 . 1 3 3 LEU CD1 C 13 27.020 0.3 . 1 . . . . . 3 LEU CD1 . 50683 1
39 . 1 . 1 3 3 LEU CD2 C 13 24.413 0.3 . 1 . . . . . 3 LEU CD2 . 50683 1
40 . 1 . 1 3 3 LEU N N 15 123.400 0.3 . 1 . . . . . 3 LEU N . 50683 1
41 . 1 . 1 4 4 PHE H H 1 7.981 0.020 . 1 . . . . . 4 PHE H . 50683 1
42 . 1 . 1 4 4 PHE HA H 1 4.492 0.020 . 1 . . . . . 4 PHE HA . 50683 1
43 . 1 . 1 4 4 PHE HB2 H 1 3.284 0.020 . 1 . . . . . 4 PHE HB2 . 50683 1
44 . 1 . 1 4 4 PHE HB3 H 1 3.284 0.020 . 1 . . . . . 4 PHE HB3 . 50683 1
45 . 1 . 1 4 4 PHE C C 13 177.364 0.3 . 1 . . . . . 4 PHE C . 50683 1
46 . 1 . 1 4 4 PHE CA C 13 59.501 0.3 . 1 . . . . . 4 PHE CA . 50683 1
47 . 1 . 1 4 4 PHE CB C 13 38.535 0.3 . 1 . . . . . 4 PHE CB . 50683 1
48 . 1 . 1 4 4 PHE N N 15 117.274 0.3 . 1 . . . . . 4 PHE N . 50683 1
49 . 1 . 1 5 5 GLY H H 1 8.230 0.020 . 1 . . . . . 5 GLY H . 50683 1
50 . 1 . 1 5 5 GLY HA2 H 1 4.048 0.020 . 1 . . . . . 5 GLY HA2 . 50683 1
51 . 1 . 1 5 5 GLY HA3 H 1 4.048 0.020 . 1 . . . . . 5 GLY HA3 . 50683 1
52 . 1 . 1 5 5 GLY C C 13 175.467 0.3 . 1 . . . . . 5 GLY C . 50683 1
53 . 1 . 1 5 5 GLY CA C 13 46.282 0.3 . 1 . . . . . 5 GLY CA . 50683 1
54 . 1 . 1 5 5 GLY N N 15 107.928 0.3 . 1 . . . . . 5 GLY N . 50683 1
55 . 1 . 1 6 6 THR H H 1 7.938 0.020 . 1 . . . . . 6 THR H . 50683 1
56 . 1 . 1 6 6 THR HB H 1 4.205 0.020 . 1 . . . . . 6 THR HB . 50683 1
57 . 1 . 1 6 6 THR HG1 H 1 4.741 0.020 . 1 . . . . . 6 THR HG1 . 50683 1
58 . 1 . 1 6 6 THR HG21 H 1 1.168 0.020 . 1 . . . . . 6 THR HG2 . 50683 1
59 . 1 . 1 6 6 THR HG22 H 1 1.168 0.020 . 1 . . . . . 6 THR HG2 . 50683 1
60 . 1 . 1 6 6 THR HG23 H 1 1.168 0.020 . 1 . . . . . 6 THR HG2 . 50683 1
61 . 1 . 1 6 6 THR C C 13 174.954 0.3 . 1 . . . . . 6 THR C . 50683 1
62 . 1 . 1 6 6 THR CA C 13 64.409 0.3 . 1 . . . . . 6 THR CA . 50683 1
63 . 1 . 1 6 6 THR CB C 13 69.525 0.3 . 1 . . . . . 6 THR CB . 50683 1
64 . 1 . 1 6 6 THR CG2 C 13 20.917 0.3 . 1 . . . . . 6 THR CG2 . 50683 1
65 . 1 . 1 6 6 THR N N 15 114.530 0.3 . 1 . . . . . 6 THR N . 50683 1
66 . 1 . 1 7 7 PHE H H 1 7.976 0.020 . 1 . . . . . 7 PHE H . 50683 1
67 . 1 . 1 7 7 PHE HA H 1 4.582 0.020 . 1 . . . . . 7 PHE HA . 50683 1
68 . 1 . 1 7 7 PHE HB2 H 1 3.175 0.020 . 1 . . . . . 7 PHE HB2 . 50683 1
69 . 1 . 1 7 7 PHE HB3 H 1 3.175 0.020 . 1 . . . . . 7 PHE HB3 . 50683 1
70 . 1 . 1 7 7 PHE C C 13 176.005 0.3 . 1 . . . . . 7 PHE C . 50683 1
71 . 1 . 1 7 7 PHE CA C 13 59.310 0.3 . 1 . . . . . 7 PHE CA . 50683 1
72 . 1 . 1 7 7 PHE CB C 13 39.558 0.3 . 1 . . . . . 7 PHE CB . 50683 1
73 . 1 . 1 7 7 PHE N N 15 120.932 0.3 . 1 . . . . . 7 PHE N . 50683 1
74 . 1 . 1 8 8 HIS H H 1 8.200 0.020 . 1 . . . . . 8 HIS H . 50683 1
75 . 1 . 1 8 8 HIS HA H 1 4.638 0.020 . 1 . . . . . 8 HIS HA . 50683 1
76 . 1 . 1 8 8 HIS HB2 H 1 3.322 0.020 . 1 . . . . . 8 HIS HB2 . 50683 1
77 . 1 . 1 8 8 HIS HB3 H 1 3.322 0.020 . 1 . . . . . 8 HIS HB3 . 50683 1
78 . 1 . 1 8 8 HIS C C 13 174.928 0.3 . 1 . . . . . 8 HIS C . 50683 1
79 . 1 . 1 8 8 HIS CA C 13 56.451 0.3 . 1 . . . . . 8 HIS CA . 50683 1
80 . 1 . 1 8 8 HIS CB C 13 28.901 0.3 . 1 . . . . . 8 HIS CB . 50683 1
81 . 1 . 1 8 8 HIS N N 15 117.915 0.3 . 1 . . . . . 8 HIS N . 50683 1
82 . 1 . 1 9 9 VAL H H 1 7.916 0.020 . 1 . . . . . 9 VAL H . 50683 1
83 . 1 . 1 9 9 VAL HA H 1 4.017 0.020 . 1 . . . . . 9 VAL HA . 50683 1
84 . 1 . 1 9 9 VAL HB H 1 2.141 0.020 . 1 . . . . . 9 VAL HB . 50683 1
85 . 1 . 1 9 9 VAL HG11 H 1 0.982 0.020 . 1 . . . . . 9 VAL HG1 . 50683 1
86 . 1 . 1 9 9 VAL HG12 H 1 0.982 0.020 . 1 . . . . . 9 VAL HG1 . 50683 1
87 . 1 . 1 9 9 VAL HG13 H 1 0.982 0.020 . 1 . . . . . 9 VAL HG1 . 50683 1
88 . 1 . 1 9 9 VAL HG21 H 1 0.982 0.020 . 1 . . . . . 9 VAL HG2 . 50683 1
89 . 1 . 1 9 9 VAL HG22 H 1 0.982 0.020 . 1 . . . . . 9 VAL HG2 . 50683 1
90 . 1 . 1 9 9 VAL HG23 H 1 0.982 0.020 . 1 . . . . . 9 VAL HG2 . 50683 1
91 . 1 . 1 9 9 VAL C C 13 176.364 0.3 . 1 . . . . . 9 VAL C . 50683 1
92 . 1 . 1 9 9 VAL CA C 13 63.618 0.3 . 1 . . . . . 9 VAL CA . 50683 1
93 . 1 . 1 9 9 VAL CB C 13 32.468 0.3 . 1 . . . . . 9 VAL CB . 50683 1
94 . 1 . 1 9 9 VAL CG1 C 13 20.999 0.3 . 1 . . . . . 9 VAL CG1 . 50683 1
95 . 1 . 1 9 9 VAL CG2 C 13 20.945 0.3 . 1 . . . . . 9 VAL CG2 . 50683 1
96 . 1 . 1 9 9 VAL N N 15 119.034 0.3 . 1 . . . . . 9 VAL N . 50683 1
97 . 1 . 1 10 10 ALA H H 1 8.105 0.020 . 1 . . . . . 10 ALA H . 50683 1
98 . 1 . 1 10 10 ALA HA H 1 4.299 0.020 . 1 . . . . . 10 ALA HA . 50683 1
99 . 1 . 1 10 10 ALA HB1 H 1 1.374 0.020 . 1 . . . . . 10 ALA HB . 50683 1
100 . 1 . 1 10 10 ALA HB2 H 1 1.374 0.020 . 1 . . . . . 10 ALA HB . 50683 1
101 . 1 . 1 10 10 ALA HB3 H 1 1.374 0.020 . 1 . . . . . 10 ALA HB . 50683 1
102 . 1 . 1 10 10 ALA C C 13 177.690 0.3 . 1 . . . . . 10 ALA C . 50683 1
103 . 1 . 1 10 10 ALA CA C 13 53.121 0.3 . 1 . . . . . 10 ALA CA . 50683 1
104 . 1 . 1 10 10 ALA CB C 13 18.800 0.3 . 1 . . . . . 10 ALA CB . 50683 1
105 . 1 . 1 10 10 ALA N N 15 124.521 0.3 . 1 . . . . . 10 ALA N . 50683 1
106 . 1 . 1 11 11 HIS H H 1 8.136 0.020 . 1 . . . . . 11 HIS H . 50683 1
107 . 1 . 1 11 11 HIS HA H 1 4.738 0.020 . 1 . . . . . 11 HIS HA . 50683 1
108 . 1 . 1 11 11 HIS HB2 H 1 3.227 0.020 . 2 . . . . . 11 HIS HB2 . 50683 1
109 . 1 . 1 11 11 HIS HB3 H 1 3.103 0.020 . 2 . . . . . 11 HIS HB3 . 50683 1
110 . 1 . 1 11 11 HIS C C 13 174.659 0.3 . 1 . . . . . 11 HIS C . 50683 1
111 . 1 . 1 11 11 HIS CA C 13 55.638 0.3 . 1 . . . . . 11 HIS CA . 50683 1
112 . 1 . 1 11 11 HIS CB C 13 28.829 0.3 . 1 . . . . . 11 HIS CB . 50683 1
113 . 1 . 1 11 11 HIS N N 15 115.829 0.3 . 1 . . . . . 11 HIS N . 50683 1
114 . 1 . 1 12 12 SER H H 1 8.158 0.020 . 1 . . . . . 12 SER H . 50683 1
115 . 1 . 1 12 12 SER HA H 1 4.683 0.020 . 1 . . . . . 12 SER HA . 50683 1
116 . 1 . 1 12 12 SER HB2 H 1 3.955 0.020 . 1 . . . . . 12 SER HB2 . 50683 1
117 . 1 . 1 12 12 SER HB3 H 1 3.955 0.020 . 1 . . . . . 12 SER HB3 . 50683 1
118 . 1 . 1 12 12 SER C C 13 174.775 0.3 . 1 . . . . . 12 SER C . 50683 1
119 . 1 . 1 12 12 SER CA C 13 58.571 0.3 . 1 . . . . . 12 SER CA . 50683 1
120 . 1 . 1 12 12 SER CB C 13 63.784 0.3 . 1 . . . . . 12 SER CB . 50683 1
121 . 1 . 1 12 12 SER N N 15 115.852 0.3 . 1 . . . . . 12 SER N . 50683 1
122 . 1 . 1 13 13 SER H H 1 8.358 0.020 . 1 . . . . . 13 SER H . 50683 1
123 . 1 . 1 13 13 SER HA H 1 4.596 0.020 . 1 . . . . . 13 SER HA . 50683 1
124 . 1 . 1 13 13 SER HB2 H 1 4.027 0.020 . 1 . . . . . 13 SER HB2 . 50683 1
125 . 1 . 1 13 13 SER HB3 H 1 4.027 0.020 . 1 . . . . . 13 SER HB3 . 50683 1
126 . 1 . 1 13 13 SER C C 13 174.505 0.3 . 1 . . . . . 13 SER C . 50683 1
127 . 1 . 1 13 13 SER CA C 13 59.142 0.3 . 1 . . . . . 13 SER CA . 50683 1
128 . 1 . 1 13 13 SER CB C 13 64.277 0.3 . 1 . . . . . 13 SER CB . 50683 1
129 . 1 . 1 13 13 SER N N 15 117.345 0.3 . 1 . . . . . 13 SER N . 50683 1
130 . 1 . 1 14 14 SER H H 1 8.290 0.020 . 1 . . . . . 14 SER H . 50683 1
131 . 1 . 1 14 14 SER HA H 1 4.647 0.020 . 1 . . . . . 14 SER HA . 50683 1
132 . 1 . 1 14 14 SER HB2 H 1 3.971 0.020 . 1 . . . . . 14 SER HB2 . 50683 1
133 . 1 . 1 14 14 SER HB3 H 1 3.971 0.020 . 1 . . . . . 14 SER HB3 . 50683 1
134 . 1 . 1 14 14 SER C C 13 174.762 0.3 . 1 . . . . . 14 SER C . 50683 1
135 . 1 . 1 14 14 SER CA C 13 58.497 0.3 . 1 . . . . . 14 SER CA . 50683 1
136 . 1 . 1 14 14 SER CB C 13 63.849 0.3 . 1 . . . . . 14 SER CB . 50683 1
137 . 1 . 1 14 14 SER N N 15 116.758 0.3 . 1 . . . . . 14 SER N . 50683 1
138 . 1 . 1 15 15 LEU H H 1 8.287 0.020 . 1 . . . . . 15 LEU H . 50683 1
139 . 1 . 1 15 15 LEU HA H 1 4.379 0.020 . 1 . . . . . 15 LEU HA . 50683 1
140 . 1 . 1 15 15 LEU HB2 H 1 1.708 0.020 . 2 . . . . . 15 LEU HB2 . 50683 1
141 . 1 . 1 15 15 LEU HB3 H 1 1.605 0.020 . 2 . . . . . 15 LEU HB3 . 50683 1
142 . 1 . 1 15 15 LEU C C 13 177.320 0.3 . 1 . . . . . 15 LEU C . 50683 1
143 . 1 . 1 15 15 LEU CA C 13 55.647 0.3 . 1 . . . . . 15 LEU CA . 50683 1
144 . 1 . 1 15 15 LEU CB C 13 41.668 0.3 . 1 . . . . . 15 LEU CB . 50683 1
145 . 1 . 1 15 15 LEU CG C 13 27.028 0.3 . 1 . . . . . 15 LEU CG . 50683 1
146 . 1 . 1 15 15 LEU CD1 C 13 27.020 0.3 . 1 . . . . . 15 LEU CD1 . 50683 1
147 . 1 . 1 15 15 LEU N N 15 123.073 0.3 . 1 . . . . . 15 LEU N . 50683 1
148 . 1 . 1 16 16 ASP H H 1 8.176 0.020 . 1 . . . . . 16 ASP H . 50683 1
149 . 1 . 1 16 16 ASP HA H 1 4.629 0.020 . 1 . . . . . 16 ASP HA . 50683 1
150 . 1 . 1 16 16 ASP HB2 H 1 2.799 0.020 . 2 . . . . . 16 ASP HB2 . 50683 1
151 . 1 . 1 16 16 ASP HB3 H 1 2.732 0.020 . 2 . . . . . 16 ASP HB3 . 50683 1
152 . 1 . 1 16 16 ASP C C 13 176.672 0.3 . 1 . . . . . 16 ASP C . 50683 1
153 . 1 . 1 16 16 ASP CA C 13 55.576 0.3 . 1 . . . . . 16 ASP CA . 50683 1
154 . 1 . 1 16 16 ASP CB C 13 40.999 0.3 . 1 . . . . . 16 ASP CB . 50683 1
155 . 1 . 1 16 16 ASP N N 15 119.197 0.3 . 1 . . . . . 16 ASP N . 50683 1
156 . 1 . 1 17 17 ASP H H 1 8.228 0.020 . 1 . . . . . 17 ASP H . 50683 1
157 . 1 . 1 17 17 ASP HA H 1 4.728 0.020 . 1 . . . . . 17 ASP HA . 50683 1
158 . 1 . 1 17 17 ASP HB2 H 1 2.878 0.020 . 1 . . . . . 17 ASP HB2 . 50683 1
159 . 1 . 1 17 17 ASP HB3 H 1 2.878 0.020 . 1 . . . . . 17 ASP HB3 . 50683 1
160 . 1 . 1 17 17 ASP C C 13 177.287 0.3 . 1 . . . . . 17 ASP C . 50683 1
161 . 1 . 1 17 17 ASP CA C 13 54.980 0.3 . 1 . . . . . 17 ASP CA . 50683 1
162 . 1 . 1 17 17 ASP CB C 13 41.240 0.3 . 1 . . . . . 17 ASP CB . 50683 1
163 . 1 . 1 17 17 ASP N N 15 119.567 0.3 . 1 . . . . . 17 ASP N . 50683 1
164 . 1 . 1 18 18 VAL H H 1 7.953 0.020 . 1 . . . . . 18 VAL H . 50683 1
165 . 1 . 1 18 18 VAL HA H 1 3.829 0.020 . 1 . . . . . 18 VAL HA . 50683 1
166 . 1 . 1 18 18 VAL HB H 1 1.694 0.020 . 1 . . . . . 18 VAL HB . 50683 1
167 . 1 . 1 18 18 VAL HG11 H 1 1.115 0.020 . 1 . . . . . 18 VAL HG1 . 50683 1
168 . 1 . 1 18 18 VAL HG12 H 1 1.115 0.020 . 1 . . . . . 18 VAL HG1 . 50683 1
169 . 1 . 1 18 18 VAL HG13 H 1 1.115 0.020 . 1 . . . . . 18 VAL HG1 . 50683 1
170 . 1 . 1 18 18 VAL HG21 H 1 1.115 0.020 . 1 . . . . . 18 VAL HG2 . 50683 1
171 . 1 . 1 18 18 VAL HG22 H 1 1.115 0.020 . 1 . . . . . 18 VAL HG2 . 50683 1
172 . 1 . 1 18 18 VAL HG23 H 1 1.115 0.020 . 1 . . . . . 18 VAL HG2 . 50683 1
173 . 1 . 1 18 18 VAL C C 13 176.723 0.3 . 1 . . . . . 18 VAL C . 50683 1
174 . 1 . 1 18 18 VAL CA C 13 65.359 0.3 . 1 . . . . . 18 VAL CA . 50683 1
175 . 1 . 1 18 18 VAL CB C 13 31.957 0.3 . 1 . . . . . 18 VAL CB . 50683 1
176 . 1 . 1 18 18 VAL CG1 C 13 21.412 0.3 . 1 . . . . . 18 VAL CG1 . 50683 1
177 . 1 . 1 18 18 VAL CG2 C 13 21.260 0.3 . 1 . . . . . 18 VAL CG2 . 50683 1
178 . 1 . 1 18 18 VAL N N 15 119.882 0.3 . 1 . . . . . 18 VAL N . 50683 1
179 . 1 . 1 19 19 ASP H H 1 8.426 0.020 . 1 . . . . . 19 ASP H . 50683 1
180 . 1 . 1 19 19 ASP HA H 1 4.443 0.020 . 1 . . . . . 19 ASP HA . 50683 1
181 . 1 . 1 19 19 ASP HB2 H 1 2.754 0.020 . 1 . . . . . 19 ASP HB2 . 50683 1
182 . 1 . 1 19 19 ASP HB3 H 1 2.754 0.020 . 1 . . . . . 19 ASP HB3 . 50683 1
183 . 1 . 1 19 19 ASP C C 13 177.710 0.3 . 1 . . . . . 19 ASP C . 50683 1
184 . 1 . 1 19 19 ASP CA C 13 56.687 0.3 . 1 . . . . . 19 ASP CA . 50683 1
185 . 1 . 1 19 19 ASP CB C 13 39.885 0.3 . 1 . . . . . 19 ASP CB . 50683 1
186 . 1 . 1 19 19 ASP N N 15 119.788 0.3 . 1 . . . . . 19 ASP N . 50683 1
187 . 1 . 1 20 20 HIS H H 1 8.185 0.020 . 1 . . . . . 20 HIS H . 50683 1
188 . 1 . 1 20 20 HIS HA H 1 4.448 0.020 . 1 . . . . . 20 HIS HA . 50683 1
189 . 1 . 1 20 20 HIS HB2 H 1 3.425 0.020 . 1 . . . . . 20 HIS HB2 . 50683 1
190 . 1 . 1 20 20 HIS HB3 H 1 3.425 0.020 . 1 . . . . . 20 HIS HB3 . 50683 1
191 . 1 . 1 20 20 HIS C C 13 177.210 0.3 . 1 . . . . . 20 HIS C . 50683 1
192 . 1 . 1 20 20 HIS CA C 13 58.631 0.3 . 1 . . . . . 20 HIS CA . 50683 1
193 . 1 . 1 20 20 HIS CB C 13 28.302 0.3 . 1 . . . . . 20 HIS CB . 50683 1
194 . 1 . 1 20 20 HIS N N 15 116.976 0.3 . 1 . . . . . 20 HIS N . 50683 1
195 . 1 . 1 21 21 LYS H H 1 8.272 0.020 . 1 . . . . . 21 LYS H . 50683 1
196 . 1 . 1 21 21 LYS HA H 1 4.150 0.020 . 1 . . . . . 21 LYS HA . 50683 1
197 . 1 . 1 21 21 LYS C C 13 178.115 0.3 . 1 . . . . . 21 LYS C . 50683 1
198 . 1 . 1 21 21 LYS CA C 13 59.962 0.3 . 1 . . . . . 21 LYS CA . 50683 1
199 . 1 . 1 21 21 LYS CB C 13 32.761 0.3 . 1 . . . . . 21 LYS CB . 50683 1
200 . 1 . 1 21 21 LYS CG C 13 25.700 0.3 . 1 . . . . . 21 LYS CG . 50683 1
201 . 1 . 1 21 21 LYS N N 15 121.871 0.3 . 1 . . . . . 21 LYS N . 50683 1
202 . 1 . 1 22 22 ILE H H 1 8.335 0.020 . 1 . . . . . 22 ILE H . 50683 1
203 . 1 . 1 22 22 ILE HA H 1 3.785 0.020 . 1 . . . . . 22 ILE HA . 50683 1
204 . 1 . 1 22 22 ILE HB H 1 2.022 0.020 . 1 . . . . . 22 ILE HB . 50683 1
205 . 1 . 1 22 22 ILE HG12 H 1 1.757 0.020 . 1 . . . . . 22 ILE HG12 . 50683 1
206 . 1 . 1 22 22 ILE HG13 H 1 1.757 0.020 . 1 . . . . . 22 ILE HG13 . 50683 1
207 . 1 . 1 22 22 ILE HG21 H 1 1.138 0.020 . 1 . . . . . 22 ILE HG2 . 50683 1
208 . 1 . 1 22 22 ILE HG22 H 1 1.138 0.020 . 1 . . . . . 22 ILE HG2 . 50683 1
209 . 1 . 1 22 22 ILE HG23 H 1 1.138 0.020 . 1 . . . . . 22 ILE HG2 . 50683 1
210 . 1 . 1 22 22 ILE HD11 H 1 0.966 0.020 . 1 . . . . . 22 ILE HD1 . 50683 1
211 . 1 . 1 22 22 ILE HD12 H 1 0.966 0.020 . 1 . . . . . 22 ILE HD1 . 50683 1
212 . 1 . 1 22 22 ILE HD13 H 1 0.966 0.020 . 1 . . . . . 22 ILE HD1 . 50683 1
213 . 1 . 1 22 22 ILE C C 13 177.608 0.3 . 1 . . . . . 22 ILE C . 50683 1
214 . 1 . 1 22 22 ILE CA C 13 64.116 0.3 . 1 . . . . . 22 ILE CA . 50683 1
215 . 1 . 1 22 22 ILE CB C 13 37.745 0.3 . 1 . . . . . 22 ILE CB . 50683 1
216 . 1 . 1 22 22 ILE CG1 C 13 28.834 0.3 . 1 . . . . . 22 ILE CG1 . 50683 1
217 . 1 . 1 22 22 ILE CG2 C 13 17.206 0.3 . 1 . . . . . 22 ILE CG2 . 50683 1
218 . 1 . 1 22 22 ILE N N 15 119.211 0.3 . 1 . . . . . 22 ILE N . 50683 1
219 . 1 . 1 23 23 LEU H H 1 7.964 0.020 . 1 . . . . . 23 LEU H . 50683 1
220 . 1 . 1 23 23 LEU HA H 1 4.123 0.020 . 1 . . . . . 23 LEU HA . 50683 1
221 . 1 . 1 23 23 LEU HB2 H 1 1.842 0.020 . 1 . . . . . 23 LEU HB2 . 50683 1
222 . 1 . 1 23 23 LEU HB3 H 1 1.842 0.020 . 1 . . . . . 23 LEU HB3 . 50683 1
223 . 1 . 1 23 23 LEU HG H 1 1.661 0.020 . 1 . . . . . 23 LEU HG . 50683 1
224 . 1 . 1 23 23 LEU C C 13 179.749 0.3 . 1 . . . . . 23 LEU C . 50683 1
225 . 1 . 1 23 23 LEU CA C 13 58.206 0.3 . 1 . . . . . 23 LEU CA . 50683 1
226 . 1 . 1 23 23 LEU CB C 13 41.604 0.3 . 1 . . . . . 23 LEU CB . 50683 1
227 . 1 . 1 23 23 LEU CG C 13 27.020 0.3 . 1 . . . . . 23 LEU CG . 50683 1
228 . 1 . 1 23 23 LEU CD1 C 13 23.638 0.3 . 1 . . . . . 23 LEU CD1 . 50683 1
229 . 1 . 1 23 23 LEU N N 15 119.391 0.3 . 1 . . . . . 23 LEU N . 50683 1
230 . 1 . 1 24 24 THR H H 1 8.000 0.020 . 1 . . . . . 24 THR H . 50683 1
231 . 1 . 1 24 24 THR HA H 1 4.309 0.020 . 1 . . . . . 24 THR HA . 50683 1
232 . 1 . 1 24 24 THR HB H 1 3.914 0.020 . 1 . . . . . 24 THR HB . 50683 1
233 . 1 . 1 24 24 THR HG21 H 1 1.267 0.020 . 1 . . . . . 24 THR HG2 . 50683 1
234 . 1 . 1 24 24 THR HG22 H 1 1.267 0.020 . 1 . . . . . 24 THR HG2 . 50683 1
235 . 1 . 1 24 24 THR HG23 H 1 1.267 0.020 . 1 . . . . . 24 THR HG2 . 50683 1
236 . 1 . 1 24 24 THR C C 13 178.890 0.3 . 1 . . . . . 24 THR C . 50683 1
237 . 1 . 1 24 24 THR CA C 13 66.702 0.3 . 1 . . . . . 24 THR CA . 50683 1
238 . 1 . 1 24 24 THR CB C 13 68.648 0.3 . 1 . . . . . 24 THR CB . 50683 1
239 . 1 . 1 24 24 THR CG2 C 13 21.247 0.3 . 1 . . . . . 24 THR CG2 . 50683 1
240 . 1 . 1 24 24 THR N N 15 115.742 0.3 . 1 . . . . . 24 THR N . 50683 1
241 . 1 . 1 25 25 ALA H H 1 8.340 0.020 . 1 . . . . . 25 ALA H . 50683 1
242 . 1 . 1 25 25 ALA HA H 1 4.219 0.020 . 1 . . . . . 25 ALA HA . 50683 1
243 . 1 . 1 25 25 ALA HB1 H 1 1.557 0.020 . 1 . . . . . 25 ALA HB . 50683 1
244 . 1 . 1 25 25 ALA HB2 H 1 1.557 0.020 . 1 . . . . . 25 ALA HB . 50683 1
245 . 1 . 1 25 25 ALA HB3 H 1 1.557 0.020 . 1 . . . . . 25 ALA HB . 50683 1
246 . 1 . 1 25 25 ALA C C 13 178.884 0.3 . 1 . . . . . 25 ALA C . 50683 1
247 . 1 . 1 25 25 ALA CA C 13 55.492 0.3 . 1 . . . . . 25 ALA CA . 50683 1
248 . 1 . 1 25 25 ALA CB C 13 17.631 0.3 . 1 . . . . . 25 ALA CB . 50683 1
249 . 1 . 1 25 25 ALA N N 15 124.758 0.3 . 1 . . . . . 25 ALA N . 50683 1
250 . 1 . 1 26 26 LYS H H 1 8.600 0.020 . 1 . . . . . 26 LYS H . 50683 1
251 . 1 . 1 26 26 LYS HA H 1 3.927 0.020 . 1 . . . . . 26 LYS HA . 50683 1
252 . 1 . 1 26 26 LYS HG2 H 1 1.471 0.020 . 2 . . . . . 26 LYS HG2 . 50683 1
253 . 1 . 1 26 26 LYS HG3 H 1 1.369 0.020 . 2 . . . . . 26 LYS HG3 . 50683 1
254 . 1 . 1 26 26 LYS C C 13 179.210 0.3 . 1 . . . . . 26 LYS C . 50683 1
255 . 1 . 1 26 26 LYS CA C 13 59.570 0.3 . 1 . . . . . 26 LYS CA . 50683 1
256 . 1 . 1 26 26 LYS CB C 13 32.103 0.3 . 1 . . . . . 26 LYS CB . 50683 1
257 . 1 . 1 26 26 LYS CG C 13 25.370 0.3 . 1 . . . . . 26 LYS CG . 50683 1
258 . 1 . 1 26 26 LYS CE C 13 40.958 0.3 . 1 . . . . . 26 LYS CE . 50683 1
259 . 1 . 1 26 26 LYS N N 15 116.937 0.3 . 1 . . . . . 26 LYS N . 50683 1
260 . 1 . 1 27 27 GLN H H 1 8.119 0.020 . 1 . . . . . 27 GLN H . 50683 1
261 . 1 . 1 27 27 GLN HA H 1 4.129 0.020 . 1 . . . . . 27 GLN HA . 50683 1
262 . 1 . 1 27 27 GLN HB2 H 1 1.919 0.020 . 1 . . . . . 27 GLN HB2 . 50683 1
263 . 1 . 1 27 27 GLN HB3 H 1 1.919 0.020 . 1 . . . . . 27 GLN HB3 . 50683 1
264 . 1 . 1 27 27 GLN HG2 H 1 2.474 0.020 . 1 . . . . . 27 GLN HG2 . 50683 1
265 . 1 . 1 27 27 GLN HG3 H 1 2.474 0.020 . 1 . . . . . 27 GLN HG3 . 50683 1
266 . 1 . 1 27 27 GLN HE21 H 1 7.463 0.020 . 1 . . . . . 27 GLN HE21 . 50683 1
267 . 1 . 1 27 27 GLN HE22 H 1 6.766 0.020 . 1 . . . . . 27 GLN HE22 . 50683 1
268 . 1 . 1 27 27 GLN C C 13 178.654 0.3 . 1 . . . . . 27 GLN C . 50683 1
269 . 1 . 1 27 27 GLN CA C 13 58.781 0.3 . 1 . . . . . 27 GLN CA . 50683 1
270 . 1 . 1 27 27 GLN CB C 13 28.229 0.3 . 1 . . . . . 27 GLN CB . 50683 1
271 . 1 . 1 27 27 GLN CG C 13 33.816 0.3 . 1 . . . . . 27 GLN CG . 50683 1
272 . 1 . 1 27 27 GLN N N 15 119.421 0.3 . 1 . . . . . 27 GLN N . 50683 1
273 . 1 . 1 27 27 GLN NE2 N 15 110.539 0.3 . 1 . . . . . 27 GLN NE2 . 50683 1
274 . 1 . 1 28 28 ALA H H 1 8.386 0.020 . 1 . . . . . 28 ALA H . 50683 1
275 . 1 . 1 28 28 ALA HA H 1 4.132 0.020 . 1 . . . . . 28 ALA HA . 50683 1
276 . 1 . 1 28 28 ALA HB1 H 1 1.581 0.020 . 1 . . . . . 28 ALA HB . 50683 1
277 . 1 . 1 28 28 ALA HB2 H 1 1.581 0.020 . 1 . . . . . 28 ALA HB . 50683 1
278 . 1 . 1 28 28 ALA HB3 H 1 1.581 0.020 . 1 . . . . . 28 ALA HB . 50683 1
279 . 1 . 1 28 28 ALA C C 13 179.807 0.3 . 1 . . . . . 28 ALA C . 50683 1
280 . 1 . 1 28 28 ALA CA C 13 55.458 0.3 . 1 . . . . . 28 ALA CA . 50683 1
281 . 1 . 1 28 28 ALA CB C 13 17.703 0.3 . 1 . . . . . 28 ALA CB . 50683 1
282 . 1 . 1 28 28 ALA N N 15 123.033 0.3 . 1 . . . . . 28 ALA N . 50683 1
283 . 1 . 1 29 29 LEU H H 1 8.697 0.020 . 1 . . . . . 29 LEU H . 50683 1
284 . 1 . 1 29 29 LEU HA H 1 4.207 0.020 . 1 . . . . . 29 LEU HA . 50683 1
285 . 1 . 1 29 29 LEU HB2 H 1 1.875 0.020 . 1 . . . . . 29 LEU HB2 . 50683 1
286 . 1 . 1 29 29 LEU HB3 H 1 1.875 0.020 . 1 . . . . . 29 LEU HB3 . 50683 1
287 . 1 . 1 29 29 LEU HG H 1 1.557 0.020 . 1 . . . . . 29 LEU HG . 50683 1
288 . 1 . 1 29 29 LEU HD11 H 1 0.905 0.020 . 1 . . . . . 29 LEU HD1 . 50683 1
289 . 1 . 1 29 29 LEU HD12 H 1 0.905 0.020 . 1 . . . . . 29 LEU HD1 . 50683 1
290 . 1 . 1 29 29 LEU HD13 H 1 0.905 0.020 . 1 . . . . . 29 LEU HD1 . 50683 1
291 . 1 . 1 29 29 LEU HD21 H 1 0.905 0.020 . 1 . . . . . 29 LEU HD2 . 50683 1
292 . 1 . 1 29 29 LEU HD22 H 1 0.905 0.020 . 1 . . . . . 29 LEU HD2 . 50683 1
293 . 1 . 1 29 29 LEU HD23 H 1 0.905 0.020 . 1 . . . . . 29 LEU HD2 . 50683 1
294 . 1 . 1 29 29 LEU C C 13 180.210 0.3 . 1 . . . . . 29 LEU C . 50683 1
295 . 1 . 1 29 29 LEU CA C 13 57.980 0.3 . 1 . . . . . 29 LEU CA . 50683 1
296 . 1 . 1 29 29 LEU CB C 13 41.751 0.3 . 1 . . . . . 29 LEU CB . 50683 1
297 . 1 . 1 29 29 LEU CG C 13 27.267 0.3 . 1 . . . . . 29 LEU CG . 50683 1
298 . 1 . 1 29 29 LEU CD1 C 13 27.185 0.3 . 1 . . . . . 29 LEU CD1 . 50683 1
299 . 1 . 1 29 29 LEU CD2 C 13 24.045 0.3 . 1 . . . . . 29 LEU CD2 . 50683 1
300 . 1 . 1 29 29 LEU N N 15 117.346 0.3 . 1 . . . . . 29 LEU N . 50683 1
301 . 1 . 1 30 30 SER H H 1 8.337 0.020 . 1 . . . . . 30 SER H . 50683 1
302 . 1 . 1 30 30 SER HA H 1 4.270 0.020 . 1 . . . . . 30 SER HA . 50683 1
303 . 1 . 1 30 30 SER HB2 H 1 3.816 0.020 . 1 . . . . . 30 SER HB2 . 50683 1
304 . 1 . 1 30 30 SER HB3 H 1 3.816 0.020 . 1 . . . . . 30 SER HB3 . 50683 1
305 . 1 . 1 30 30 SER HG H 1 5.925 0.020 . 1 . . . . . 30 SER HG . 50683 1
306 . 1 . 1 30 30 SER C C 13 176.531 0.3 . 1 . . . . . 30 SER C . 50683 1
307 . 1 . 1 30 30 SER CA C 13 61.558 0.3 . 1 . . . . . 30 SER CA . 50683 1
308 . 1 . 1 30 30 SER CB C 13 63.232 0.3 . 1 . . . . . 30 SER CB . 50683 1
309 . 1 . 1 30 30 SER N N 15 116.391 0.3 . 1 . . . . . 30 SER N . 50683 1
310 . 1 . 1 31 31 GLU H H 1 7.907 0.020 . 1 . . . . . 31 GLU H . 50683 1
311 . 1 . 1 31 31 GLU HA H 1 4.280 0.020 . 1 . . . . . 31 GLU HA . 50683 1
312 . 1 . 1 31 31 GLU HB2 H 1 2.318 0.020 . 1 . . . . . 31 GLU HB2 . 50683 1
313 . 1 . 1 31 31 GLU HB3 H 1 2.318 0.020 . 1 . . . . . 31 GLU HB3 . 50683 1
314 . 1 . 1 31 31 GLU HG2 H 1 2.549 0.020 . 1 . . . . . 31 GLU HG2 . 50683 1
315 . 1 . 1 31 31 GLU HG3 H 1 2.549 0.020 . 1 . . . . . 31 GLU HG3 . 50683 1
316 . 1 . 1 31 31 GLU C C 13 179.325 0.3 . 1 . . . . . 31 GLU C . 50683 1
317 . 1 . 1 31 31 GLU CA C 13 58.781 0.3 . 1 . . . . . 31 GLU CA . 50683 1
318 . 1 . 1 31 31 GLU CB C 13 28.758 0.3 . 1 . . . . . 31 GLU CB . 50683 1
319 . 1 . 1 31 31 GLU CG C 13 35.020 0.3 . 1 . . . . . 31 GLU CG . 50683 1
320 . 1 . 1 31 31 GLU N N 15 121.857 0.3 . 1 . . . . . 31 GLU N . 50683 1
321 . 1 . 1 32 32 VAL H H 1 8.491 0.020 . 1 . . . . . 32 VAL H . 50683 1
322 . 1 . 1 32 32 VAL HA H 1 3.925 0.020 . 1 . . . . . 32 VAL HA . 50683 1
323 . 1 . 1 32 32 VAL HB H 1 2.223 0.020 . 1 . . . . . 32 VAL HB . 50683 1
324 . 1 . 1 32 32 VAL HG11 H 1 1.119 0.020 . 1 . . . . . 32 VAL HG1 . 50683 1
325 . 1 . 1 32 32 VAL HG12 H 1 1.119 0.020 . 1 . . . . . 32 VAL HG1 . 50683 1
326 . 1 . 1 32 32 VAL HG13 H 1 1.119 0.020 . 1 . . . . . 32 VAL HG1 . 50683 1
327 . 1 . 1 32 32 VAL HG21 H 1 1.119 0.020 . 1 . . . . . 32 VAL HG2 . 50683 1
328 . 1 . 1 32 32 VAL HG22 H 1 1.119 0.020 . 1 . . . . . 32 VAL HG2 . 50683 1
329 . 1 . 1 32 32 VAL HG23 H 1 1.119 0.020 . 1 . . . . . 32 VAL HG2 . 50683 1
330 . 1 . 1 32 32 VAL C C 13 177.941 0.3 . 1 . . . . . 32 VAL C . 50683 1
331 . 1 . 1 32 32 VAL CA C 13 66.432 0.3 . 1 . . . . . 32 VAL CA . 50683 1
332 . 1 . 1 32 32 VAL CB C 13 31.896 0.3 . 1 . . . . . 32 VAL CB . 50683 1
333 . 1 . 1 32 32 VAL CG1 C 13 22.319 0.3 . 1 . . . . . 32 VAL CG1 . 50683 1
334 . 1 . 1 32 32 VAL CG2 C 13 20.999 0.3 . 1 . . . . . 32 VAL CG2 . 50683 1
335 . 1 . 1 32 32 VAL N N 15 120.000 0.3 . 1 . . . . . 32 VAL N . 50683 1
336 . 1 . 1 33 33 THR H H 1 8.407 0.020 . 1 . . . . . 33 THR H . 50683 1
337 . 1 . 1 33 33 THR HA H 1 4.391 0.020 . 1 . . . . . 33 THR HA . 50683 1
338 . 1 . 1 33 33 THR HB H 1 3.924 0.020 . 1 . . . . . 33 THR HB . 50683 1
339 . 1 . 1 33 33 THR HG1 H 1 1.283 0.020 . 1 . . . . . 33 THR HG1 . 50683 1
340 . 1 . 1 33 33 THR C C 13 176.842 0.3 . 1 . . . . . 33 THR C . 50683 1
341 . 1 . 1 33 33 THR CA C 13 66.802 0.3 . 1 . . . . . 33 THR CA . 50683 1
342 . 1 . 1 33 33 THR CB C 13 68.356 0.3 . 1 . . . . . 33 THR CB . 50683 1
343 . 1 . 1 33 33 THR CG2 C 13 21.824 0.3 . 1 . . . . . 33 THR CG2 . 50683 1
344 . 1 . 1 33 33 THR N N 15 111.718 0.3 . 1 . . . . . 33 THR N . 50683 1
345 . 1 . 1 34 34 ALA H H 1 7.723 0.020 . 1 . . . . . 34 ALA H . 50683 1
346 . 1 . 1 34 34 ALA HA H 1 4.155 0.020 . 1 . . . . . 34 ALA HA . 50683 1
347 . 1 . 1 34 34 ALA HB1 H 1 1.629 0.020 . 1 . . . . . 34 ALA HB . 50683 1
348 . 1 . 1 34 34 ALA HB2 H 1 1.629 0.020 . 1 . . . . . 34 ALA HB . 50683 1
349 . 1 . 1 34 34 ALA HB3 H 1 1.629 0.020 . 1 . . . . . 34 ALA HB . 50683 1
350 . 1 . 1 34 34 ALA C C 13 180.243 0.3 . 1 . . . . . 34 ALA C . 50683 1
351 . 1 . 1 34 34 ALA CA C 13 55.719 0.3 . 1 . . . . . 34 ALA CA . 50683 1
352 . 1 . 1 34 34 ALA CB C 13 18.274 0.3 . 1 . . . . . 34 ALA CB . 50683 1
353 . 1 . 1 34 34 ALA N N 15 123.649 0.3 . 1 . . . . . 34 ALA N . 50683 1
354 . 1 . 1 35 35 ALA H H 1 7.912 0.020 . 1 . . . . . 35 ALA H . 50683 1
355 . 1 . 1 35 35 ALA HA H 1 4.258 0.020 . 1 . . . . . 35 ALA HA . 50683 1
356 . 1 . 1 35 35 ALA HB1 H 1 1.612 0.020 . 1 . . . . . 35 ALA HB . 50683 1
357 . 1 . 1 35 35 ALA HB2 H 1 1.612 0.020 . 1 . . . . . 35 ALA HB . 50683 1
358 . 1 . 1 35 35 ALA HB3 H 1 1.612 0.020 . 1 . . . . . 35 ALA HB . 50683 1
359 . 1 . 1 35 35 ALA C C 13 180.877 0.3 . 1 . . . . . 35 ALA C . 50683 1
360 . 1 . 1 35 35 ALA CA C 13 55.129 0.3 . 1 . . . . . 35 ALA CA . 50683 1
361 . 1 . 1 35 35 ALA CB C 13 17.631 0.3 . 1 . . . . . 35 ALA CB . 50683 1
362 . 1 . 1 35 35 ALA N N 15 121.018 0.3 . 1 . . . . . 35 ALA N . 50683 1
363 . 1 . 1 36 36 LEU H H 1 8.487 0.020 . 1 . . . . . 36 LEU H . 50683 1
364 . 1 . 1 36 36 LEU HA H 1 4.152 0.020 . 1 . . . . . 36 LEU HA . 50683 1
365 . 1 . 1 36 36 LEU HB2 H 1 1.928 0.020 . 1 . . . . . 36 LEU HB2 . 50683 1
366 . 1 . 1 36 36 LEU HB3 H 1 1.928 0.020 . 1 . . . . . 36 LEU HB3 . 50683 1
367 . 1 . 1 36 36 LEU HG H 1 1.629 0.020 . 1 . . . . . 36 LEU HG . 50683 1
368 . 1 . 1 36 36 LEU HD11 H 1 0.942 0.020 . 1 . . . . . 36 LEU HD1 . 50683 1
369 . 1 . 1 36 36 LEU HD12 H 1 0.942 0.020 . 1 . . . . . 36 LEU HD1 . 50683 1
370 . 1 . 1 36 36 LEU HD13 H 1 0.942 0.020 . 1 . . . . . 36 LEU HD1 . 50683 1
371 . 1 . 1 36 36 LEU HD21 H 1 0.942 0.020 . 1 . . . . . 36 LEU HD2 . 50683 1
372 . 1 . 1 36 36 LEU HD22 H 1 0.942 0.020 . 1 . . . . . 36 LEU HD2 . 50683 1
373 . 1 . 1 36 36 LEU HD23 H 1 0.942 0.020 . 1 . . . . . 36 LEU HD2 . 50683 1
374 . 1 . 1 36 36 LEU C C 13 178.902 0.3 . 1 . . . . . 36 LEU C . 50683 1
375 . 1 . 1 36 36 LEU CA C 13 58.096 0.3 . 1 . . . . . 36 LEU CA . 50683 1
376 . 1 . 1 36 36 LEU CB C 13 42.096 0.3 . 1 . . . . . 36 LEU CB . 50683 1
377 . 1 . 1 36 36 LEU CG C 13 26.855 0.3 . 1 . . . . . 36 LEU CG . 50683 1
378 . 1 . 1 36 36 LEU CD1 C 13 23.370 0.3 . 1 . . . . . 36 LEU CD1 . 50683 1
379 . 1 . 1 36 36 LEU N N 15 119.593 0.3 . 1 . . . . . 36 LEU N . 50683 1
380 . 1 . 1 37 37 ARG H H 1 8.461 0.020 . 1 . . . . . 37 ARG H . 50683 1
381 . 1 . 1 37 37 ARG HA H 1 4.015 0.020 . 1 . . . . . 37 ARG HA . 50683 1
382 . 1 . 1 37 37 ARG HB2 H 1 1.928 0.020 . 1 . . . . . 37 ARG HB2 . 50683 1
383 . 1 . 1 37 37 ARG HB3 H 1 1.928 0.020 . 1 . . . . . 37 ARG HB3 . 50683 1
384 . 1 . 1 37 37 ARG HG2 H 1 1.616 0.020 . 1 . . . . . 37 ARG HG2 . 50683 1
385 . 1 . 1 37 37 ARG HG3 H 1 1.616 0.020 . 1 . . . . . 37 ARG HG3 . 50683 1
386 . 1 . 1 37 37 ARG HD2 H 1 3.230 0.020 . 1 . . . . . 37 ARG HD2 . 50683 1
387 . 1 . 1 37 37 ARG HD3 H 1 3.230 0.020 . 1 . . . . . 37 ARG HD3 . 50683 1
388 . 1 . 1 37 37 ARG HE H 1 7.556 0.020 . 1 . . . . . 37 ARG HE . 50683 1
389 . 1 . 1 37 37 ARG C C 13 178.864 0.3 . 1 . . . . . 37 ARG C . 50683 1
390 . 1 . 1 37 37 ARG CA C 13 60.346 0.3 . 1 . . . . . 37 ARG CA . 50683 1
391 . 1 . 1 37 37 ARG CB C 13 30.042 0.3 . 1 . . . . . 37 ARG CB . 50683 1
392 . 1 . 1 37 37 ARG CG C 13 27.869 0.3 . 1 . . . . . 37 ARG CG . 50683 1
393 . 1 . 1 37 37 ARG CD C 13 43.743 0.3 . 1 . . . . . 37 ARG CD . 50683 1
394 . 1 . 1 37 37 ARG N N 15 118.172 0.3 . 1 . . . . . 37 ARG N . 50683 1
395 . 1 . 1 38 38 GLU H H 1 7.808 0.020 . 1 . . . . . 38 GLU H . 50683 1
396 . 1 . 1 38 38 GLU HA H 1 4.193 0.020 . 1 . . . . . 38 GLU HA . 50683 1
397 . 1 . 1 38 38 GLU HB2 H 1 2.246 0.020 . 1 . . . . . 38 GLU HB2 . 50683 1
398 . 1 . 1 38 38 GLU HB3 H 1 2.246 0.020 . 1 . . . . . 38 GLU HB3 . 50683 1
399 . 1 . 1 38 38 GLU HG2 H 1 2.451 0.020 . 1 . . . . . 38 GLU HG2 . 50683 1
400 . 1 . 1 38 38 GLU HG3 H 1 2.451 0.020 . 1 . . . . . 38 GLU HG3 . 50683 1
401 . 1 . 1 38 38 GLU C C 13 178.582 0.3 . 1 . . . . . 38 GLU C . 50683 1
402 . 1 . 1 38 38 GLU CA C 13 58.910 0.3 . 1 . . . . . 38 GLU CA . 50683 1
403 . 1 . 1 38 38 GLU CB C 13 29.545 0.3 . 1 . . . . . 38 GLU CB . 50683 1
404 . 1 . 1 38 38 GLU CG C 13 35.530 0.3 . 1 . . . . . 38 GLU CG . 50683 1
405 . 1 . 1 38 38 GLU N N 15 117.160 0.3 . 1 . . . . . 38 GLU N . 50683 1
406 . 1 . 1 39 39 ARG H H 1 7.931 0.020 . 1 . . . . . 39 ARG H . 50683 1
407 . 1 . 1 39 39 ARG HA H 1 4.250 0.020 . 1 . . . . . 39 ARG HA . 50683 1
408 . 1 . 1 39 39 ARG HB2 H 1 2.024 0.020 . 2 . . . . . 39 ARG HB2 . 50683 1
409 . 1 . 1 39 39 ARG HB3 H 1 1.931 0.020 . 2 . . . . . 39 ARG HB3 . 50683 1
410 . 1 . 1 39 39 ARG HG2 H 1 1.476 0.020 . 1 . . . . . 39 ARG HG2 . 50683 1
411 . 1 . 1 39 39 ARG HG3 H 1 1.476 0.020 . 1 . . . . . 39 ARG HG3 . 50683 1
412 . 1 . 1 39 39 ARG HD2 H 1 3.233 0.020 . 1 . . . . . 39 ARG HD2 . 50683 1
413 . 1 . 1 39 39 ARG HD3 H 1 3.233 0.020 . 1 . . . . . 39 ARG HD3 . 50683 1
414 . 1 . 1 39 39 ARG HE H 1 6.979 0.020 . 1 . . . . . 39 ARG HE . 50683 1
415 . 1 . 1 39 39 ARG C C 13 177.838 0.3 . 1 . . . . . 39 ARG C . 50683 1
416 . 1 . 1 39 39 ARG CA C 13 57.950 0.3 . 1 . . . . . 39 ARG CA . 50683 1
417 . 1 . 1 39 39 ARG CB C 13 30.327 0.3 . 1 . . . . . 39 ARG CB . 50683 1
418 . 1 . 1 39 39 ARG CG C 13 26.952 0.3 . 1 . . . . . 39 ARG CG . 50683 1
419 . 1 . 1 39 39 ARG CD C 13 43.034 0.3 . 1 . . . . . 39 ARG CD . 50683 1
420 . 1 . 1 39 39 ARG N N 15 118.303 0.3 . 1 . . . . . 39 ARG N . 50683 1
421 . 1 . 1 40 40 LEU H H 1 8.123 0.020 . 1 . . . . . 40 LEU H . 50683 1
422 . 1 . 1 40 40 LEU HA H 1 4.260 0.020 . 1 . . . . . 40 LEU HA . 50683 1
423 . 1 . 1 40 40 LEU HB2 H 1 1.769 0.020 . 1 . . . . . 40 LEU HB2 . 50683 1
424 . 1 . 1 40 40 LEU HB3 H 1 1.769 0.020 . 1 . . . . . 40 LEU HB3 . 50683 1
425 . 1 . 1 40 40 LEU HG H 1 1.527 0.020 . 1 . . . . . 40 LEU HG . 50683 1
426 . 1 . 1 40 40 LEU HD11 H 1 0.904 0.020 . 1 . . . . . 40 LEU HD1 . 50683 1
427 . 1 . 1 40 40 LEU HD12 H 1 0.904 0.020 . 1 . . . . . 40 LEU HD1 . 50683 1
428 . 1 . 1 40 40 LEU HD13 H 1 0.904 0.020 . 1 . . . . . 40 LEU HD1 . 50683 1
429 . 1 . 1 40 40 LEU HD21 H 1 0.904 0.020 . 1 . . . . . 40 LEU HD2 . 50683 1
430 . 1 . 1 40 40 LEU HD22 H 1 0.904 0.020 . 1 . . . . . 40 LEU HD2 . 50683 1
431 . 1 . 1 40 40 LEU HD23 H 1 0.904 0.020 . 1 . . . . . 40 LEU HD2 . 50683 1
432 . 1 . 1 40 40 LEU C C 13 177.095 0.3 . 1 . . . . . 40 LEU C . 50683 1
433 . 1 . 1 40 40 LEU CA C 13 55.816 0.3 . 1 . . . . . 40 LEU CA . 50683 1
434 . 1 . 1 40 40 LEU CB C 13 42.096 0.3 . 1 . . . . . 40 LEU CB . 50683 1
435 . 1 . 1 40 40 LEU CG C 13 26.772 0.3 . 1 . . . . . 40 LEU CG . 50683 1
436 . 1 . 1 40 40 LEU CD1 C 13 22.484 0.3 . 1 . . . . . 40 LEU CD1 . 50683 1
437 . 1 . 1 40 40 LEU N N 15 117.602 0.3 . 1 . . . . . 40 LEU N . 50683 1
438 . 1 . 1 41 41 HIS H H 1 7.771 0.020 . 1 . . . . . 41 HIS H . 50683 1
439 . 1 . 1 41 41 HIS HA H 1 4.439 0.020 . 1 . . . . . 41 HIS HA . 50683 1
440 . 1 . 1 41 41 HIS HB2 H 1 3.194 0.020 . 1 . . . . . 41 HIS HB2 . 50683 1
441 . 1 . 1 41 41 HIS HB3 H 1 3.194 0.020 . 1 . . . . . 41 HIS HB3 . 50683 1
442 . 1 . 1 41 41 HIS C C 13 174.287 0.3 . 1 . . . . . 41 HIS C . 50683 1
443 . 1 . 1 41 41 HIS CA C 13 55.399 0.3 . 1 . . . . . 41 HIS CA . 50683 1
444 . 1 . 1 41 41 HIS CB C 13 27.974 0.3 . 1 . . . . . 41 HIS CB . 50683 1
445 . 1 . 1 41 41 HIS N N 15 115.719 0.3 . 1 . . . . . 41 HIS N . 50683 1
446 . 1 . 1 42 42 ARG H H 1 7.929 0.020 . 1 . . . . . 42 ARG H . 50683 1
447 . 1 . 1 42 42 ARG HA H 1 4.352 0.020 . 1 . . . . . 42 ARG HA . 50683 1
448 . 1 . 1 42 42 ARG HB2 H 1 1.821 0.020 . 1 . . . . . 42 ARG HB2 . 50683 1
449 . 1 . 1 42 42 ARG HB3 H 1 1.821 0.020 . 1 . . . . . 42 ARG HB3 . 50683 1
450 . 1 . 1 42 42 ARG HG2 H 1 1.581 0.020 . 1 . . . . . 42 ARG HG2 . 50683 1
451 . 1 . 1 42 42 ARG HG3 H 1 1.581 0.020 . 1 . . . . . 42 ARG HG3 . 50683 1
452 . 1 . 1 42 42 ARG HD2 H 1 3.154 0.020 . 1 . . . . . 42 ARG HD2 . 50683 1
453 . 1 . 1 42 42 ARG HD3 H 1 3.154 0.020 . 1 . . . . . 42 ARG HD3 . 50683 1
454 . 1 . 1 42 42 ARG HE H 1 7.354 0.020 . 1 . . . . . 42 ARG HE . 50683 1
455 . 1 . 1 42 42 ARG C C 13 174.992 0.3 . 1 . . . . . 42 ARG C . 50683 1
456 . 1 . 1 42 42 ARG CA C 13 56.198 0.3 . 1 . . . . . 42 ARG CA . 50683 1
457 . 1 . 1 42 42 ARG CB C 13 31.883 0.3 . 1 . . . . . 42 ARG CB . 50683 1
458 . 1 . 1 42 42 ARG CG C 13 26.928 0.3 . 1 . . . . . 42 ARG CG . 50683 1
459 . 1 . 1 42 42 ARG CD C 13 43.365 0.3 . 1 . . . . . 42 ARG CD . 50683 1
460 . 1 . 1 42 42 ARG N N 15 120.567 0.3 . 1 . . . . . 42 ARG N . 50683 1
461 . 1 . 1 43 43 TRP H H 1 7.570 0.020 . 1 . . . . . 43 TRP H . 50683 1
462 . 1 . 1 43 43 TRP HA H 1 4.640 0.020 . 1 . . . . . 43 TRP HA . 50683 1
463 . 1 . 1 43 43 TRP HB2 H 1 3.417 0.020 . 2 . . . . . 43 TRP HB2 . 50683 1
464 . 1 . 1 43 43 TRP HB3 H 1 3.246 0.020 . 2 . . . . . 43 TRP HB3 . 50683 1
465 . 1 . 1 43 43 TRP HE1 H 1 9.970 0.020 . 1 . . . . . 43 TRP HE1 . 50683 1
466 . 1 . 1 43 43 TRP C C 13 180.845 0.3 . 1 . . . . . 43 TRP C . 50683 1
467 . 1 . 1 43 43 TRP CA C 13 58.681 0.3 . 1 . . . . . 43 TRP CA . 50683 1
468 . 1 . 1 43 43 TRP CB C 13 30.112 0.3 . 1 . . . . . 43 TRP CB . 50683 1
469 . 1 . 1 43 43 TRP N N 15 125.692 0.3 . 1 . . . . . 43 TRP N . 50683 1
470 . 1 . 1 43 43 TRP NE1 N 15 128.018 0.3 . 1 . . . . . 43 TRP NE1 . 50683 1
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