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 31151
_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 $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 1H-13C NOESY' . . . 31151 1
2 '2D 1H-13C HSQC' . . . 31151 1
3 '2D 1H-13C HSQC aromatic' . . . 31151 1
4 '2D 1H-15N HSQC' . . . 31151 1
5 '3D HCCH-TOCSY' . . . 31151 1
6 '3D 1H-15N NOESY' . . . 31151 1
7 '1D 1H' . . . 31151 1
8 '1D 1H' . . . 31151 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 TYR H H 1 7.111 0.020 . 1 . . . . A 1 TYR H1 . 31151 1
2 . 1 . 1 1 1 TYR HA H 1 4.260 0.020 . 1 . . . . A 1 TYR HA . 31151 1
3 . 1 . 1 1 1 TYR HB2 H 1 2.876 0.020 . 2 . . . . A 1 TYR HB2 . 31151 1
4 . 1 . 1 1 1 TYR HB3 H 1 3.349 0.020 . 2 . . . . A 1 TYR HB3 . 31151 1
5 . 1 . 1 1 1 TYR HD1 H 1 7.027 0.020 . 1 . . . . A 1 TYR HD1 . 31151 1
6 . 1 . 1 1 1 TYR HD2 H 1 7.109 0.020 . 1 . . . . A 1 TYR HD2 . 31151 1
7 . 1 . 1 1 1 TYR HE1 H 1 7.042 0.020 . 1 . . . . A 1 TYR HE1 . 31151 1
8 . 1 . 1 1 1 TYR HE2 H 1 7.220 0.020 . 1 . . . . A 1 TYR HE2 . 31151 1
9 . 1 . 1 1 1 TYR CA C 13 58.042 0.400 . 1 . . . . A 1 TYR CA . 31151 1
10 . 1 . 1 1 1 TYR CB C 13 39.680 0.400 . 1 . . . . A 1 TYR CB . 31151 1
11 . 1 . 1 1 1 TYR CD1 C 13 133.864 0.400 . 3 . . . . A 1 TYR CD1 . 31151 1
12 . 1 . 1 1 1 TYR CE1 C 13 119.364 0.400 . 3 . . . . A 1 TYR CE1 . 31151 1
13 . 1 . 1 1 1 TYR N N 15 122.708 0.400 . 1 . . . . A 1 TYR N . 31151 1
14 . 1 . 1 2 2 SER H H 1 9.294 0.020 . 1 . . . . A 2 SER H . 31151 1
15 . 1 . 1 2 2 SER HA H 1 5.465 0.020 . 1 . . . . A 2 SER HA . 31151 1
16 . 1 . 1 2 2 SER HB2 H 1 3.647 0.020 . 2 . . . . A 2 SER HB2 . 31151 1
17 . 1 . 1 2 2 SER HB3 H 1 3.701 0.020 . 2 . . . . A 2 SER HB3 . 31151 1
18 . 1 . 1 2 2 SER CA C 13 57.411 0.400 . 1 . . . . A 2 SER CA . 31151 1
19 . 1 . 1 2 2 SER CB C 13 65.334 0.400 . 1 . . . . A 2 SER CB . 31151 1
20 . 1 . 1 2 2 SER N N 15 118.853 0.400 . 1 . . . . A 2 SER N . 31151 1
21 . 1 . 1 3 3 CYS H H 1 9.195 0.020 . 1 . . . . A 3 CYS H . 31151 1
22 . 1 . 1 3 3 CYS HA H 1 4.534 0.020 . 1 . . . . A 3 CYS HA . 31151 1
23 . 1 . 1 3 3 CYS HB2 H 1 2.921 0.020 . 2 . . . . A 3 CYS HB2 . 31151 1
24 . 1 . 1 3 3 CYS HB3 H 1 3.389 0.020 . 2 . . . . A 3 CYS HB3 . 31151 1
25 . 1 . 1 3 3 CYS CA C 13 59.751 0.400 . 1 . . . . A 3 CYS CA . 31151 1
26 . 1 . 1 3 3 CYS CB C 13 29.915 0.400 . 1 . . . . A 3 CYS CB . 31151 1
27 . 1 . 1 3 3 CYS N N 15 125.650 0.400 . 1 . . . . A 3 CYS N . 31151 1
28 . 1 . 1 4 4 ASN H H 1 9.315 0.020 . 1 . . . . A 4 ASN H . 31151 1
29 . 1 . 1 4 4 ASN HA H 1 4.547 0.020 . 1 . . . . A 4 ASN HA . 31151 1
30 . 1 . 1 4 4 ASN HB2 H 1 2.927 0.020 . 2 . . . . A 4 ASN HB2 . 31151 1
31 . 1 . 1 4 4 ASN HB3 H 1 2.995 0.020 . 2 . . . . A 4 ASN HB3 . 31151 1
32 . 1 . 1 4 4 ASN HD21 H 1 6.860 0.020 . 2 . . . . A 4 ASN HD21 . 31151 1
33 . 1 . 1 4 4 ASN HD22 H 1 7.640 0.020 . 2 . . . . A 4 ASN HD22 . 31151 1
34 . 1 . 1 4 4 ASN CA C 13 55.262 0.400 . 1 . . . . A 4 ASN CA . 31151 1
35 . 1 . 1 4 4 ASN CB C 13 37.854 0.400 . 1 . . . . A 4 ASN CB . 31151 1
36 . 1 . 1 4 4 ASN N N 15 130.201 0.400 . 1 . . . . A 4 ASN N . 31151 1
37 . 1 . 1 4 4 ASN ND2 N 15 112.419 0.400 . 1 . . . . A 4 ASN ND2 . 31151 1
38 . 1 . 1 5 5 VAL H H 1 9.098 0.020 . 1 . . . . A 5 VAL H . 31151 1
39 . 1 . 1 5 5 VAL HA H 1 3.832 0.020 . 1 . . . . A 5 VAL HA . 31151 1
40 . 1 . 1 5 5 VAL HB H 1 1.182 0.020 . 1 . . . . A 5 VAL HB . 31151 1
41 . 1 . 1 5 5 VAL HG11 H 1 0.330 0.020 . 2 . . . . A 5 VAL HG11 . 31151 1
42 . 1 . 1 5 5 VAL HG12 H 1 0.330 0.020 . 2 . . . . A 5 VAL HG12 . 31151 1
43 . 1 . 1 5 5 VAL HG13 H 1 0.330 0.020 . 2 . . . . A 5 VAL HG13 . 31151 1
44 . 1 . 1 5 5 VAL HG21 H 1 0.775 0.020 . 2 . . . . A 5 VAL HG21 . 31151 1
45 . 1 . 1 5 5 VAL HG22 H 1 0.775 0.020 . 2 . . . . A 5 VAL HG22 . 31151 1
46 . 1 . 1 5 5 VAL HG23 H 1 0.775 0.020 . 2 . . . . A 5 VAL HG23 . 31151 1
47 . 1 . 1 5 5 VAL CA C 13 65.108 0.400 . 1 . . . . A 5 VAL CA . 31151 1
48 . 1 . 1 5 5 VAL CB C 13 32.781 0.400 . 1 . . . . A 5 VAL CB . 31151 1
49 . 1 . 1 5 5 VAL CG1 C 13 20.257 0.400 . 2 . . . . A 5 VAL CG1 . 31151 1
50 . 1 . 1 5 5 VAL CG2 C 13 20.907 0.400 . 2 . . . . A 5 VAL CG2 . 31151 1
51 . 1 . 1 5 5 VAL N N 15 122.995 0.400 . 1 . . . . A 5 VAL N . 31151 1
52 . 1 . 1 6 6 CYS H H 1 8.460 0.020 . 1 . . . . A 6 CYS H . 31151 1
53 . 1 . 1 6 6 CYS HA H 1 5.168 0.020 . 1 . . . . A 6 CYS HA . 31151 1
54 . 1 . 1 6 6 CYS HB2 H 1 2.820 0.020 . 2 . . . . A 6 CYS HB2 . 31151 1
55 . 1 . 1 6 6 CYS HB3 H 1 2.821 0.020 . 2 . . . . A 6 CYS HB3 . 31151 1
56 . 1 . 1 6 6 CYS CA C 13 58.301 0.400 . 1 . . . . A 6 CYS CA . 31151 1
57 . 1 . 1 6 6 CYS CB C 13 32.716 0.400 . 1 . . . . A 6 CYS CB . 31151 1
58 . 1 . 1 6 6 CYS N N 15 116.907 0.400 . 1 . . . . A 6 CYS N . 31151 1
59 . 1 . 1 7 7 GLY H H 1 8.032 0.020 . 1 . . . . A 7 GLY H . 31151 1
60 . 1 . 1 7 7 GLY HA2 H 1 3.913 0.020 . 2 . . . . A 7 GLY HA2 . 31151 1
61 . 1 . 1 7 7 GLY HA3 H 1 4.271 0.020 . 2 . . . . A 7 GLY HA3 . 31151 1
62 . 1 . 1 7 7 GLY CA C 13 46.195 0.400 . 1 . . . . A 7 GLY CA . 31151 1
63 . 1 . 1 7 7 GLY N N 15 113.396 0.400 . 1 . . . . A 7 GLY N . 31151 1
64 . 1 . 1 8 8 LYS H H 1 7.974 0.020 . 1 . . . . A 8 LYS H . 31151 1
65 . 1 . 1 8 8 LYS HA H 1 3.931 0.020 . 1 . . . . A 8 LYS HA . 31151 1
66 . 1 . 1 8 8 LYS HB2 H 1 1.219 0.020 . 2 . . . . A 8 LYS HB2 . 31151 1
67 . 1 . 1 8 8 LYS HB3 H 1 1.557 0.020 . 2 . . . . A 8 LYS HB3 . 31151 1
68 . 1 . 1 8 8 LYS HG2 H 1 0.971 0.020 . 2 . . . . A 8 LYS HG2 . 31151 1
69 . 1 . 1 8 8 LYS HG3 H 1 1.364 0.020 . 2 . . . . A 8 LYS HG3 . 31151 1
70 . 1 . 1 8 8 LYS HD2 H 1 1.368 0.020 . 2 . . . . A 8 LYS HD2 . 31151 1
71 . 1 . 1 8 8 LYS HD3 H 1 1.510 0.020 . 2 . . . . A 8 LYS HD3 . 31151 1
72 . 1 . 1 8 8 LYS HE2 H 1 2.863 0.020 . 2 . . . . A 8 LYS HE2 . 31151 1
73 . 1 . 1 8 8 LYS HE3 H 1 2.975 0.020 . 2 . . . . A 8 LYS HE3 . 31151 1
74 . 1 . 1 8 8 LYS CA C 13 58.558 0.400 . 1 . . . . A 8 LYS CA . 31151 1
75 . 1 . 1 8 8 LYS CB C 13 33.792 0.400 . 1 . . . . A 8 LYS CB . 31151 1
76 . 1 . 1 8 8 LYS CG C 13 25.915 0.400 . 1 . . . . A 8 LYS CG . 31151 1
77 . 1 . 1 8 8 LYS CD C 13 29.298 0.400 . 1 . . . . A 8 LYS CD . 31151 1
78 . 1 . 1 8 8 LYS CE C 13 42.105 0.400 . 1 . . . . A 8 LYS CE . 31151 1
79 . 1 . 1 8 8 LYS N N 15 123.712 0.400 . 1 . . . . A 8 LYS N . 31151 1
80 . 1 . 1 9 9 ALA H H 1 7.967 0.020 . 1 . . . . A 9 ALA H . 31151 1
81 . 1 . 1 9 9 ALA HA H 1 4.977 0.020 . 1 . . . . A 9 ALA HA . 31151 1
82 . 1 . 1 9 9 ALA HB1 H 1 1.260 0.020 . 1 . . . . A 9 ALA HB1 . 31151 1
83 . 1 . 1 9 9 ALA HB2 H 1 1.260 0.020 . 1 . . . . A 9 ALA HB2 . 31151 1
84 . 1 . 1 9 9 ALA HB3 H 1 1.260 0.020 . 1 . . . . A 9 ALA HB3 . 31151 1
85 . 1 . 1 9 9 ALA CA C 13 51.009 0.400 . 1 . . . . A 9 ALA CA . 31151 1
86 . 1 . 1 9 9 ALA CB C 13 21.137 0.400 . 1 . . . . A 9 ALA CB . 31151 1
87 . 1 . 1 9 9 ALA N N 15 125.357 0.400 . 1 . . . . A 9 ALA N . 31151 1
88 . 1 . 1 10 10 PHE H H 1 8.613 0.020 . 1 . . . . A 10 PHE H . 31151 1
89 . 1 . 1 10 10 PHE HA H 1 4.759 0.020 . 1 . . . . A 10 PHE HA . 31151 1
90 . 1 . 1 10 10 PHE HB2 H 1 2.484 0.020 . 2 . . . . A 10 PHE HB2 . 31151 1
91 . 1 . 1 10 10 PHE HB3 H 1 3.397 0.020 . 2 . . . . A 10 PHE HB3 . 31151 1
92 . 1 . 1 10 10 PHE HD1 H 1 6.848 0.020 . 1 . . . . A 10 PHE HD1 . 31151 1
93 . 1 . 1 10 10 PHE HD2 H 1 7.216 0.020 . 1 . . . . A 10 PHE HD2 . 31151 1
94 . 1 . 1 10 10 PHE HE1 H 1 6.854 0.020 . 1 . . . . A 10 PHE HE1 . 31151 1
95 . 1 . 1 10 10 PHE HE2 H 1 6.869 0.020 . 1 . . . . A 10 PHE HE2 . 31151 1
96 . 1 . 1 10 10 PHE HZ H 1 6.850 0.020 . 1 . . . . A 10 PHE HZ . 31151 1
97 . 1 . 1 10 10 PHE CA C 13 57.285 0.400 . 1 . . . . A 10 PHE CA . 31151 1
98 . 1 . 1 10 10 PHE CB C 13 44.022 0.400 . 1 . . . . A 10 PHE CB . 31151 1
99 . 1 . 1 10 10 PHE CD1 C 13 132.282 0.400 . 3 . . . . A 10 PHE CD1 . 31151 1
100 . 1 . 1 10 10 PHE CE1 C 13 130.999 0.400 . 3 . . . . A 10 PHE CE1 . 31151 1
101 . 1 . 1 10 10 PHE CZ C 13 129.793 0.400 . 1 . . . . A 10 PHE CZ . 31151 1
102 . 1 . 1 10 10 PHE N N 15 116.516 0.400 . 1 . . . . A 10 PHE N . 31151 1
103 . 1 . 1 11 11 VAL H H 1 9.002 0.020 . 1 . . . . A 11 VAL H . 31151 1
104 . 1 . 1 11 11 VAL HA H 1 4.119 0.020 . 1 . . . . A 11 VAL HA . 31151 1
105 . 1 . 1 11 11 VAL HB H 1 2.235 0.020 . 1 . . . . A 11 VAL HB . 31151 1
106 . 1 . 1 11 11 VAL HG11 H 1 1.104 0.020 . 2 . . . . A 11 VAL HG11 . 31151 1
107 . 1 . 1 11 11 VAL HG12 H 1 1.104 0.020 . 2 . . . . A 11 VAL HG12 . 31151 1
108 . 1 . 1 11 11 VAL HG13 H 1 1.104 0.020 . 2 . . . . A 11 VAL HG13 . 31151 1
109 . 1 . 1 11 11 VAL HG21 H 1 1.082 0.020 . 2 . . . . A 11 VAL HG21 . 31151 1
110 . 1 . 1 11 11 VAL HG22 H 1 1.082 0.020 . 2 . . . . A 11 VAL HG22 . 31151 1
111 . 1 . 1 11 11 VAL HG23 H 1 1.082 0.020 . 2 . . . . A 11 VAL HG23 . 31151 1
112 . 1 . 1 11 11 VAL CA C 13 64.782 0.400 . 1 . . . . A 11 VAL CA . 31151 1
113 . 1 . 1 11 11 VAL CB C 13 32.612 0.400 . 1 . . . . A 11 VAL CB . 31151 1
114 . 1 . 1 11 11 VAL CG1 C 13 21.842 0.400 . 2 . . . . A 11 VAL CG1 . 31151 1
115 . 1 . 1 11 11 VAL CG2 C 13 21.386 0.400 . 2 . . . . A 11 VAL CG2 . 31151 1
116 . 1 . 1 11 11 VAL N N 15 123.458 0.400 . 1 . . . . A 11 VAL N . 31151 1
117 . 1 . 1 12 12 LEU H H 1 8.005 0.020 . 1 . . . . A 12 LEU H . 31151 1
118 . 1 . 1 12 12 LEU HA H 1 4.947 0.020 . 1 . . . . A 12 LEU HA . 31151 1
119 . 1 . 1 12 12 LEU HB2 H 1 1.336 0.020 . 2 . . . . A 12 LEU HB2 . 31151 1
120 . 1 . 1 12 12 LEU HB3 H 1 1.424 0.020 . 2 . . . . A 12 LEU HB3 . 31151 1
121 . 1 . 1 12 12 LEU HD11 H 1 0.953 0.020 . 2 . . . . A 12 LEU HD11 . 31151 1
122 . 1 . 1 12 12 LEU HD12 H 1 0.953 0.020 . 2 . . . . A 12 LEU HD12 . 31151 1
123 . 1 . 1 12 12 LEU HD13 H 1 0.953 0.020 . 2 . . . . A 12 LEU HD13 . 31151 1
124 . 1 . 1 12 12 LEU HD21 H 1 0.740 0.020 . 2 . . . . A 12 LEU HD21 . 31151 1
125 . 1 . 1 12 12 LEU HD22 H 1 0.740 0.020 . 2 . . . . A 12 LEU HD22 . 31151 1
126 . 1 . 1 12 12 LEU HD23 H 1 0.740 0.020 . 2 . . . . A 12 LEU HD23 . 31151 1
127 . 1 . 1 12 12 LEU CA C 13 53.075 0.400 . 1 . . . . A 12 LEU CA . 31151 1
128 . 1 . 1 12 12 LEU CB C 13 43.395 0.400 . 1 . . . . A 12 LEU CB . 31151 1
129 . 1 . 1 12 12 LEU CG C 13 26.720 0.400 . 1 . . . . A 12 LEU CG . 31151 1
130 . 1 . 1 12 12 LEU CD1 C 13 22.975 0.400 . 2 . . . . A 12 LEU CD1 . 31151 1
131 . 1 . 1 12 12 LEU CD2 C 13 25.091 0.400 . 2 . . . . A 12 LEU CD2 . 31151 1
132 . 1 . 1 12 12 LEU N N 15 117.992 0.400 . 1 . . . . A 12 LEU N . 31151 1
133 . 1 . 1 13 13 SER H H 1 8.936 0.020 . 1 . . . . A 13 SER H . 31151 1
134 . 1 . 1 13 13 SER HA H 1 4.773 0.020 . 1 . . . . A 13 SER HA . 31151 1
135 . 1 . 1 13 13 SER HB2 H 1 3.453 0.020 . 2 . . . . A 13 SER HB2 . 31151 1
136 . 1 . 1 13 13 SER HB3 H 1 4.138 0.020 . 2 . . . . A 13 SER HB3 . 31151 1
137 . 1 . 1 13 13 SER CA C 13 58.925 0.400 . 1 . . . . A 13 SER CA . 31151 1
138 . 1 . 1 13 13 SER CB C 13 63.986 0.400 . 1 . . . . A 13 SER CB . 31151 1
139 . 1 . 1 13 13 SER N N 15 122.272 0.400 . 1 . . . . A 13 SER N . 31151 1
140 . 1 . 1 14 14 ARG H H 1 8.570 0.020 . 1 . . . . A 14 ARG H . 31151 1
141 . 1 . 1 14 14 ARG HA H 1 4.142 0.020 . 1 . . . . A 14 ARG HA . 31151 1
142 . 1 . 1 14 14 ARG HB2 H 1 1.660 0.020 . 2 . . . . A 14 ARG HB2 . 31151 1
143 . 1 . 1 14 14 ARG HB3 H 1 1.882 0.020 . 2 . . . . A 14 ARG HB3 . 31151 1
144 . 1 . 1 14 14 ARG HG2 H 1 1.465 0.020 . 2 . . . . A 14 ARG HG2 . 31151 1
145 . 1 . 1 14 14 ARG HG3 H 1 1.471 0.020 . 2 . . . . A 14 ARG HG3 . 31151 1
146 . 1 . 1 14 14 ARG HD2 H 1 3.180 0.020 . 2 . . . . A 14 ARG HD2 . 31151 1
147 . 1 . 1 14 14 ARG HD3 H 1 3.181 0.020 . 2 . . . . A 14 ARG HD3 . 31151 1
148 . 1 . 1 14 14 ARG HE H 1 7.111 0.020 . 1 . . . . A 14 ARG HE . 31151 1
149 . 1 . 1 14 14 ARG CA C 13 58.877 0.400 . 1 . . . . A 14 ARG CA . 31151 1
150 . 1 . 1 14 14 ARG CB C 13 29.466 0.400 . 1 . . . . A 14 ARG CB . 31151 1
151 . 1 . 1 14 14 ARG CG C 13 26.977 0.400 . 1 . . . . A 14 ARG CG . 31151 1
152 . 1 . 1 14 14 ARG CD C 13 43.435 0.400 . 1 . . . . A 14 ARG CD . 31151 1
153 . 1 . 1 14 14 ARG N N 15 119.165 0.400 . 1 . . . . A 14 ARG N . 31151 1
154 . 1 . 1 15 15 HIS H H 1 6.834 0.020 . 1 . . . . A 15 HIS H . 31151 1
155 . 1 . 1 15 15 HIS HA H 1 4.524 0.020 . 1 . . . . A 15 HIS HA . 31151 1
156 . 1 . 1 15 15 HIS HB2 H 1 3.292 0.020 . 2 . . . . A 15 HIS HB2 . 31151 1
157 . 1 . 1 15 15 HIS HB3 H 1 3.516 0.020 . 2 . . . . A 15 HIS HB3 . 31151 1
158 . 1 . 1 15 15 HIS HD1 H 1 8.000 0.020 . 1 . . . . A 15 HIS HD1 . 31151 1
159 . 1 . 1 15 15 HIS HD2 H 1 7.641 0.020 . 1 . . . . A 15 HIS HD2 . 31151 1
160 . 1 . 1 15 15 HIS HE1 H 1 6.845 0.020 . 1 . . . . A 15 HIS HE1 . 31151 1
161 . 1 . 1 15 15 HIS CA C 13 56.957 0.400 . 1 . . . . A 15 HIS CA . 31151 1
162 . 1 . 1 15 15 HIS CB C 13 31.015 0.400 . 1 . . . . A 15 HIS CB . 31151 1
163 . 1 . 1 15 15 HIS CD2 C 13 123.414 0.400 . 1 . . . . A 15 HIS CD2 . 31151 1
164 . 1 . 1 15 15 HIS CE1 C 13 136.766 0.400 . 1 . . . . A 15 HIS CE1 . 31151 1
165 . 1 . 1 15 15 HIS N N 15 117.908 0.400 . 1 . . . . A 15 HIS N . 31151 1
166 . 1 . 1 15 15 HIS ND1 N 15 117.978 0.400 . 1 . . . . A 15 HIS ND1 . 31151 1
167 . 1 . 1 16 16 LEU H H 1 7.111 0.020 . 1 . . . . A 16 LEU H . 31151 1
168 . 1 . 1 16 16 LEU HA H 1 3.084 0.020 . 1 . . . . A 16 LEU HA . 31151 1
169 . 1 . 1 16 16 LEU HB2 H 1 1.102 0.020 . 2 . . . . A 16 LEU HB2 . 31151 1
170 . 1 . 1 16 16 LEU HB3 H 1 1.902 0.020 . 2 . . . . A 16 LEU HB3 . 31151 1
171 . 1 . 1 16 16 LEU HD11 H 1 0.987 0.020 . 2 . . . . A 16 LEU HD11 . 31151 1
172 . 1 . 1 16 16 LEU HD12 H 1 0.987 0.020 . 2 . . . . A 16 LEU HD12 . 31151 1
173 . 1 . 1 16 16 LEU HD13 H 1 0.987 0.020 . 2 . . . . A 16 LEU HD13 . 31151 1
174 . 1 . 1 16 16 LEU HD21 H 1 0.969 0.020 . 2 . . . . A 16 LEU HD21 . 31151 1
175 . 1 . 1 16 16 LEU HD22 H 1 0.969 0.020 . 2 . . . . A 16 LEU HD22 . 31151 1
176 . 1 . 1 16 16 LEU HD23 H 1 0.969 0.020 . 2 . . . . A 16 LEU HD23 . 31151 1
177 . 1 . 1 16 16 LEU CA C 13 57.776 0.400 . 1 . . . . A 16 LEU CA . 31151 1
178 . 1 . 1 16 16 LEU CB C 13 40.103 0.400 . 1 . . . . A 16 LEU CB . 31151 1
179 . 1 . 1 16 16 LEU CG C 13 27.364 0.400 . 1 . . . . A 16 LEU CG . 31151 1
180 . 1 . 1 16 16 LEU CD1 C 13 22.693 0.400 . 2 . . . . A 16 LEU CD1 . 31151 1
181 . 1 . 1 16 16 LEU CD2 C 13 26.423 0.400 . 2 . . . . A 16 LEU CD2 . 31151 1
182 . 1 . 1 16 16 LEU N N 15 122.766 0.400 . 1 . . . . A 16 LEU N . 31151 1
183 . 1 . 1 17 17 ASN H H 1 8.243 0.020 . 1 . . . . A 17 ASN H . 31151 1
184 . 1 . 1 17 17 ASN HA H 1 4.300 0.020 . 1 . . . . A 17 ASN HA . 31151 1
185 . 1 . 1 17 17 ASN HB2 H 1 2.734 0.020 . 2 . . . . A 17 ASN HB2 . 31151 1
186 . 1 . 1 17 17 ASN HB3 H 1 2.738 0.020 . 2 . . . . A 17 ASN HB3 . 31151 1
187 . 1 . 1 17 17 ASN HD21 H 1 6.826 0.020 . 2 . . . . A 17 ASN HD21 . 31151 1
188 . 1 . 1 17 17 ASN HD22 H 1 7.449 0.020 . 2 . . . . A 17 ASN HD22 . 31151 1
189 . 1 . 1 17 17 ASN CA C 13 56.571 0.400 . 1 . . . . A 17 ASN CA . 31151 1
190 . 1 . 1 17 17 ASN CB C 13 37.832 0.400 . 1 . . . . A 17 ASN CB . 31151 1
191 . 1 . 1 17 17 ASN N N 15 116.603 0.400 . 1 . . . . A 17 ASN N . 31151 1
192 . 1 . 1 17 17 ASN ND2 N 15 111.984 0.400 . 1 . . . . A 17 ASN ND2 . 31151 1
193 . 1 . 1 18 18 ARG H H 1 7.427 0.020 . 1 . . . . A 18 ARG H . 31151 1
194 . 1 . 1 18 18 ARG HA H 1 4.056 0.020 . 1 . . . . A 18 ARG HA . 31151 1
195 . 1 . 1 18 18 ARG HB2 H 1 1.918 0.020 . 2 . . . . A 18 ARG HB2 . 31151 1
196 . 1 . 1 18 18 ARG HB3 H 1 1.927 0.020 . 2 . . . . A 18 ARG HB3 . 31151 1
197 . 1 . 1 18 18 ARG HG2 H 1 1.692 0.020 . 2 . . . . A 18 ARG HG2 . 31151 1
198 . 1 . 1 18 18 ARG HG3 H 1 1.795 0.020 . 2 . . . . A 18 ARG HG3 . 31151 1
199 . 1 . 1 18 18 ARG HD2 H 1 3.239 0.020 . 2 . . . . A 18 ARG HD2 . 31151 1
200 . 1 . 1 18 18 ARG HD3 H 1 3.240 0.020 . 2 . . . . A 18 ARG HD3 . 31151 1
201 . 1 . 1 18 18 ARG HE H 1 7.430 0.020 . 1 . . . . A 18 ARG HE . 31151 1
202 . 1 . 1 18 18 ARG CA C 13 58.906 0.400 . 1 . . . . A 18 ARG CA . 31151 1
203 . 1 . 1 18 18 ARG CB C 13 30.177 0.400 . 1 . . . . A 18 ARG CB . 31151 1
204 . 1 . 1 18 18 ARG CG C 13 27.192 0.400 . 1 . . . . A 18 ARG CG . 31151 1
205 . 1 . 1 18 18 ARG CD C 13 43.493 0.400 . 1 . . . . A 18 ARG CD . 31151 1
206 . 1 . 1 18 18 ARG N N 15 118.460 0.400 . 1 . . . . A 18 ARG N . 31151 1
207 . 1 . 1 19 19 HIS H H 1 7.632 0.020 . 1 . . . . A 19 HIS H . 31151 1
208 . 1 . 1 19 19 HIS HA H 1 4.267 0.020 . 1 . . . . A 19 HIS HA . 31151 1
209 . 1 . 1 19 19 HIS HB2 H 1 2.959 0.020 . 2 . . . . A 19 HIS HB2 . 31151 1
210 . 1 . 1 19 19 HIS HB3 H 1 3.229 0.020 . 2 . . . . A 19 HIS HB3 . 31151 1
211 . 1 . 1 19 19 HIS HD1 H 1 6.840 0.020 . 1 . . . . A 19 HIS HD1 . 31151 1
212 . 1 . 1 19 19 HIS HD2 H 1 7.005 0.020 . 1 . . . . A 19 HIS HD2 . 31151 1
213 . 1 . 1 19 19 HIS HE1 H 1 7.982 0.020 . 1 . . . . A 19 HIS HE1 . 31151 1
214 . 1 . 1 19 19 HIS CA C 13 59.083 0.400 . 1 . . . . A 19 HIS CA . 31151 1
215 . 1 . 1 19 19 HIS CB C 13 28.558 0.400 . 1 . . . . A 19 HIS CB . 31151 1
216 . 1 . 1 19 19 HIS CD2 C 13 127.234 0.400 . 1 . . . . A 19 HIS CD2 . 31151 1
217 . 1 . 1 19 19 HIS CE1 C 13 140.198 0.400 . 1 . . . . A 19 HIS CE1 . 31151 1
218 . 1 . 1 19 19 HIS N N 15 120.142 0.400 . 1 . . . . A 19 HIS N . 31151 1
219 . 1 . 1 19 19 HIS ND1 N 15 117.936 0.400 . 1 . . . . A 19 HIS ND1 . 31151 1
220 . 1 . 1 20 20 LEU H H 1 8.200 0.020 . 1 . . . . A 20 LEU H . 31151 1
221 . 1 . 1 20 20 LEU HA H 1 3.818 0.020 . 1 . . . . A 20 LEU HA . 31151 1
222 . 1 . 1 20 20 LEU HB2 H 1 1.550 0.020 . 2 . . . . A 20 LEU HB2 . 31151 1
223 . 1 . 1 20 20 LEU HB3 H 1 1.915 0.020 . 2 . . . . A 20 LEU HB3 . 31151 1
224 . 1 . 1 20 20 LEU HG H 1 2.066 0.020 . 1 . . . . A 20 LEU HG . 31151 1
225 . 1 . 1 20 20 LEU HD11 H 1 1.034 0.020 . 2 . . . . A 20 LEU HD11 . 31151 1
226 . 1 . 1 20 20 LEU HD12 H 1 1.034 0.020 . 2 . . . . A 20 LEU HD12 . 31151 1
227 . 1 . 1 20 20 LEU HD13 H 1 1.034 0.020 . 2 . . . . A 20 LEU HD13 . 31151 1
228 . 1 . 1 20 20 LEU HD21 H 1 1.292 0.020 . 2 . . . . A 20 LEU HD21 . 31151 1
229 . 1 . 1 20 20 LEU HD22 H 1 1.292 0.020 . 2 . . . . A 20 LEU HD22 . 31151 1
230 . 1 . 1 20 20 LEU HD23 H 1 1.292 0.020 . 2 . . . . A 20 LEU HD23 . 31151 1
231 . 1 . 1 20 20 LEU CA C 13 58.163 0.400 . 1 . . . . A 20 LEU CA . 31151 1
232 . 1 . 1 20 20 LEU CB C 13 42.049 0.400 . 1 . . . . A 20 LEU CB . 31151 1
233 . 1 . 1 20 20 LEU CG C 13 27.039 0.400 . 1 . . . . A 20 LEU CG . 31151 1
234 . 1 . 1 20 20 LEU CD1 C 13 25.530 0.400 . 2 . . . . A 20 LEU CD1 . 31151 1
235 . 1 . 1 20 20 LEU CD2 C 13 24.655 0.400 . 2 . . . . A 20 LEU CD2 . 31151 1
236 . 1 . 1 20 20 LEU N N 15 116.808 0.400 . 1 . . . . A 20 LEU N . 31151 1
237 . 1 . 1 21 21 ARG H H 1 7.106 0.020 . 1 . . . . A 21 ARG H . 31151 1
238 . 1 . 1 21 21 ARG HA H 1 3.994 0.020 . 1 . . . . A 21 ARG HA . 31151 1
239 . 1 . 1 21 21 ARG HB2 H 1 1.878 0.020 . 2 . . . . A 21 ARG HB2 . 31151 1
240 . 1 . 1 21 21 ARG HB3 H 1 1.916 0.020 . 2 . . . . A 21 ARG HB3 . 31151 1
241 . 1 . 1 21 21 ARG HG2 H 1 1.797 0.020 . 2 . . . . A 21 ARG HG2 . 31151 1
242 . 1 . 1 21 21 ARG HG3 H 1 2.070 0.020 . 2 . . . . A 21 ARG HG3 . 31151 1
243 . 1 . 1 21 21 ARG HD2 H 1 3.240 0.020 . 2 . . . . A 21 ARG HD2 . 31151 1
244 . 1 . 1 21 21 ARG HD3 H 1 3.238 0.020 . 2 . . . . A 21 ARG HD3 . 31151 1
245 . 1 . 1 21 21 ARG HE H 1 7.111 0.020 . 1 . . . . A 21 ARG HE . 31151 1
246 . 1 . 1 21 21 ARG CA C 13 58.694 0.400 . 1 . . . . A 21 ARG CA . 31151 1
247 . 1 . 1 21 21 ARG CB C 13 30.047 0.400 . 1 . . . . A 21 ARG CB . 31151 1
248 . 1 . 1 21 21 ARG CG C 13 27.241 0.400 . 1 . . . . A 21 ARG CG . 31151 1
249 . 1 . 1 21 21 ARG CD C 13 43.509 0.400 . 1 . . . . A 21 ARG CD . 31151 1
250 . 1 . 1 21 21 ARG N N 15 116.353 0.400 . 1 . . . . A 21 ARG N . 31151 1
251 . 1 . 1 22 22 VAL H H 1 7.982 0.020 . 1 . . . . A 22 VAL H . 31151 1
252 . 1 . 1 22 22 VAL HA H 1 3.923 0.020 . 1 . . . . A 22 VAL HA . 31151 1
253 . 1 . 1 22 22 VAL HB H 1 1.980 0.020 . 1 . . . . A 22 VAL HB . 31151 1
254 . 1 . 1 22 22 VAL HG11 H 1 0.478 0.020 . 2 . . . . A 22 VAL HG11 . 31151 1
255 . 1 . 1 22 22 VAL HG12 H 1 0.478 0.020 . 2 . . . . A 22 VAL HG12 . 31151 1
256 . 1 . 1 22 22 VAL HG13 H 1 0.478 0.020 . 2 . . . . A 22 VAL HG13 . 31151 1
257 . 1 . 1 22 22 VAL HG21 H 1 0.708 0.020 . 2 . . . . A 22 VAL HG21 . 31151 1
258 . 1 . 1 22 22 VAL HG22 H 1 0.708 0.020 . 2 . . . . A 22 VAL HG22 . 31151 1
259 . 1 . 1 22 22 VAL HG23 H 1 0.708 0.020 . 2 . . . . A 22 VAL HG23 . 31151 1
260 . 1 . 1 22 22 VAL CA C 13 63.950 0.400 . 1 . . . . A 22 VAL CA . 31151 1
261 . 1 . 1 22 22 VAL CB C 13 30.986 0.400 . 1 . . . . A 22 VAL CB . 31151 1
262 . 1 . 1 22 22 VAL CG1 C 13 19.161 0.400 . 2 . . . . A 22 VAL CG1 . 31151 1
263 . 1 . 1 22 22 VAL CG2 C 13 19.916 0.400 . 2 . . . . A 22 VAL CG2 . 31151 1
264 . 1 . 1 22 22 VAL N N 15 115.932 0.400 . 1 . . . . A 22 VAL N . 31151 1
265 . 1 . 1 23 23 HIS H H 1 7.109 0.020 . 1 . . . . A 23 HIS H . 31151 1
266 . 1 . 1 23 23 HIS HA H 1 4.879 0.020 . 1 . . . . A 23 HIS HA . 31151 1
267 . 1 . 1 23 23 HIS HB2 H 1 3.154 0.020 . 2 . . . . A 23 HIS HB2 . 31151 1
268 . 1 . 1 23 23 HIS HB3 H 1 3.415 0.020 . 2 . . . . A 23 HIS HB3 . 31151 1
269 . 1 . 1 23 23 HIS HD1 H 1 8.462 0.020 . 1 . . . . A 23 HIS HD1 . 31151 1
270 . 1 . 1 23 23 HIS HD2 H 1 6.699 0.020 . 1 . . . . A 23 HIS HD2 . 31151 1
271 . 1 . 1 23 23 HIS HE1 H 1 8.111 0.020 . 1 . . . . A 23 HIS HE1 . 31151 1
272 . 1 . 1 23 23 HIS CA C 13 54.605 0.400 . 1 . . . . A 23 HIS CA . 31151 1
273 . 1 . 1 23 23 HIS CB C 13 28.721 0.400 . 1 . . . . A 23 HIS CB . 31151 1
274 . 1 . 1 23 23 HIS CD2 C 13 126.810 0.400 . 1 . . . . A 23 HIS CD2 . 31151 1
275 . 1 . 1 23 23 HIS CE1 C 13 139.785 0.400 . 1 . . . . A 23 HIS CE1 . 31151 1
276 . 1 . 1 23 23 HIS N N 15 116.390 0.400 . 1 . . . . A 23 HIS N . 31151 1
277 . 1 . 1 23 23 HIS ND1 N 15 116.923 0.400 . 1 . . . . A 23 HIS ND1 . 31151 1
278 . 1 . 1 24 24 ARG H H 1 7.604 0.020 . 1 . . . . A 24 ARG H . 31151 1
279 . 1 . 1 24 24 ARG HA H 1 4.377 0.020 . 1 . . . . A 24 ARG HA . 31151 1
280 . 1 . 1 24 24 ARG HB2 H 1 1.826 0.020 . 2 . . . . A 24 ARG HB2 . 31151 1
281 . 1 . 1 24 24 ARG HB3 H 1 1.824 0.020 . 2 . . . . A 24 ARG HB3 . 31151 1
282 . 1 . 1 24 24 ARG HG2 H 1 1.695 0.020 . 2 . . . . A 24 ARG HG2 . 31151 1
283 . 1 . 1 24 24 ARG HG3 H 1 1.918 0.020 . 2 . . . . A 24 ARG HG3 . 31151 1
284 . 1 . 1 24 24 ARG HD2 H 1 3.233 0.020 . 2 . . . . A 24 ARG HD2 . 31151 1
285 . 1 . 1 24 24 ARG HD3 H 1 3.234 0.020 . 2 . . . . A 24 ARG HD3 . 31151 1
286 . 1 . 1 24 24 ARG HE H 1 6.705 0.020 . 1 . . . . A 24 ARG HE . 31151 1
287 . 1 . 1 24 24 ARG CA C 13 56.205 0.400 . 1 . . . . A 24 ARG CA . 31151 1
288 . 1 . 1 24 24 ARG CB C 13 30.841 0.400 . 1 . . . . A 24 ARG CB . 31151 1
289 . 1 . 1 24 24 ARG CG C 13 27.195 0.400 . 1 . . . . A 24 ARG CG . 31151 1
290 . 1 . 1 24 24 ARG CD C 13 43.505 0.400 . 1 . . . . A 24 ARG CD . 31151 1
291 . 1 . 1 24 24 ARG N N 15 120.064 0.400 . 1 . . . . A 24 ARG N . 31151 1
292 . 1 . 1 25 25 ARG H H 1 8.300 0.020 . 1 . . . . A 25 ARG H . 31151 1
293 . 1 . 1 25 25 ARG HA H 1 4.378 0.020 . 1 . . . . A 25 ARG HA . 31151 1
294 . 1 . 1 25 25 ARG HB2 H 1 1.827 0.020 . 2 . . . . A 25 ARG HB2 . 31151 1
295 . 1 . 1 25 25 ARG HB3 H 1 1.914 0.020 . 2 . . . . A 25 ARG HB3 . 31151 1
296 . 1 . 1 25 25 ARG HG2 H 1 1.684 0.020 . 2 . . . . A 25 ARG HG2 . 31151 1
297 . 1 . 1 25 25 ARG HG3 H 1 1.686 0.020 . 2 . . . . A 25 ARG HG3 . 31151 1
298 . 1 . 1 25 25 ARG HD2 H 1 3.234 0.020 . 2 . . . . A 25 ARG HD2 . 31151 1
299 . 1 . 1 25 25 ARG HD3 H 1 3.235 0.020 . 2 . . . . A 25 ARG HD3 . 31151 1
300 . 1 . 1 25 25 ARG HE H 1 7.113 0.020 . 1 . . . . A 25 ARG HE . 31151 1
301 . 1 . 1 25 25 ARG CA C 13 56.170 0.400 . 1 . . . . A 25 ARG CA . 31151 1
302 . 1 . 1 25 25 ARG CB C 13 30.836 0.400 . 1 . . . . A 25 ARG CB . 31151 1
303 . 1 . 1 25 25 ARG CG C 13 27.165 0.400 . 1 . . . . A 25 ARG CG . 31151 1
304 . 1 . 1 25 25 ARG CD C 13 43.487 0.400 . 1 . . . . A 25 ARG CD . 31151 1
305 . 1 . 1 25 25 ARG N N 15 122.413 0.400 . 1 . . . . A 25 ARG N . 31151 1
306 . 1 . 1 26 26 ALA H H 1 8.407 0.020 . 1 . . . . A 26 ALA H . 31151 1
307 . 1 . 1 26 26 ALA HA H 1 4.427 0.020 . 1 . . . . A 26 ALA HA . 31151 1
308 . 1 . 1 26 26 ALA HB1 H 1 1.456 0.020 . 1 . . . . A 26 ALA HB1 . 31151 1
309 . 1 . 1 26 26 ALA HB2 H 1 1.456 0.020 . 1 . . . . A 26 ALA HB2 . 31151 1
310 . 1 . 1 26 26 ALA HB3 H 1 1.456 0.020 . 1 . . . . A 26 ALA HB3 . 31151 1
311 . 1 . 1 26 26 ALA CA C 13 52.578 0.400 . 1 . . . . A 26 ALA CA . 31151 1
312 . 1 . 1 26 26 ALA CB C 13 19.443 0.400 . 1 . . . . A 26 ALA CB . 31151 1
313 . 1 . 1 26 26 ALA N N 15 126.202 0.400 . 1 . . . . A 26 ALA N . 31151 1
314 . 1 . 1 27 27 THR H H 1 7.746 0.020 . 1 . . . . A 27 THR H . 31151 1
315 . 1 . 1 27 27 THR HA H 1 4.156 0.020 . 1 . . . . A 27 THR HA . 31151 1
316 . 1 . 1 27 27 THR HB H 1 4.261 0.020 . 1 . . . . A 27 THR HB . 31151 1
317 . 1 . 1 27 27 THR HG21 H 1 1.191 0.020 . 1 . . . . A 27 THR HG21 . 31151 1
318 . 1 . 1 27 27 THR HG22 H 1 1.191 0.020 . 1 . . . . A 27 THR HG22 . 31151 1
319 . 1 . 1 27 27 THR HG23 H 1 1.191 0.020 . 1 . . . . A 27 THR HG23 . 31151 1
320 . 1 . 1 27 27 THR CA C 13 63.139 0.400 . 1 . . . . A 27 THR CA . 31151 1
321 . 1 . 1 27 27 THR CB C 13 70.838 0.400 . 1 . . . . A 27 THR CB . 31151 1
322 . 1 . 1 27 27 THR CG2 C 13 22.000 0.400 . 1 . . . . A 27 THR CG2 . 31151 1
323 . 1 . 1 27 27 THR N N 15 118.576 0.400 . 1 . . . . A 27 THR N . 31151 1
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