Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 18334
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_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' . . . 18334 1
3 '3D 1H-15N TOCSY' . . . 18334 1
6 '2D DQF-COSY' . . . 18334 1
7 '2D 1H-1H TOCSY' . . . 18334 1
9 '2D 1H-13C HSQC' . . . 18334 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 SER HA H 1 4.085 0.002 . 1 . . . A 1 SER HA . 18334 1
2 . 1 1 1 1 SER CB C 13 67.539 0.01 . 1 . . . A 1 SER CB . 18334 1
3 . 1 1 1 1 SER HB2 H 1 3.510 0.002 . 2 . . . A 1 SER HB2 . 18334 1
4 . 1 1 1 1 SER HB3 H 1 3.325 0.002 . 2 . . . A 1 SER HB3 . 18334 1
5 . 1 1 2 2 GLU HA H 1 4.430 0.002 . 1 . . . A 2 GLU HA . 18334 1
6 . 1 1 2 2 GLU HB2 H 1 2.003 0.002 . 2 . . . A 2 GLU HB2 . 18334 1
7 . 1 1 2 2 GLU HB3 H 1 2.132 0.002 . 2 . . . A 2 GLU HB3 . 18334 1
8 . 1 1 2 2 GLU HG2 H 1 1.997 0.002 . 1 . . . A 2 GLU HG2 . 18334 1
9 . 1 1 2 2 GLU HG3 H 1 1.997 0.002 . 1 . . . A 2 GLU HG3 . 18334 1
10 . 1 1 3 3 LYS N N 15 122.592 0.05 . 1 . . . A 3 LYS N . 18334 1
11 . 1 1 3 3 LYS H H 1 8.479 0.002 . 1 . . . A 3 LYS H . 18334 1
12 . 1 1 3 3 LYS HA H 1 4.629 0.002 . 1 . . . A 3 LYS HA . 18334 1
13 . 1 1 3 3 LYS HB2 H 1 1.814 0.002 . 2 . . . A 3 LYS HB2 . 18334 1
14 . 1 1 3 3 LYS HB3 H 1 1.889 0.002 . 2 . . . A 3 LYS HB3 . 18334 1
15 . 1 1 3 3 LYS HG2 H 1 1.500 0.002 . 1 . . . A 3 LYS HG2 . 18334 1
16 . 1 1 3 3 LYS HG3 H 1 1.500 0.002 . 1 . . . A 3 LYS HG3 . 18334 1
17 . 1 1 3 3 LYS HD2 H 1 1.732 0.002 . 1 . . . A 3 LYS HD2 . 18334 1
18 . 1 1 3 3 LYS HD3 H 1 1.732 0.002 . 1 . . . A 3 LYS HD3 . 18334 1
19 . 1 1 3 3 LYS HE2 H 1 3.026 0.002 . 1 . . . A 3 LYS HE2 . 18334 1
20 . 1 1 3 3 LYS HE3 H 1 3.026 0.002 . 1 . . . A 3 LYS HE3 . 18334 1
21 . 1 1 4 4 PRO CD C 13 47.950 0.01 . 1 . . . A 4 PRO CD . 18334 1
22 . 1 1 4 4 PRO HA H 1 4.471 0.002 . 1 . . . A 4 PRO HA . 18334 1
23 . 1 1 4 4 PRO HB2 H 1 1.973 0.002 . 2 . . . A 4 PRO HB2 . 18334 1
24 . 1 1 4 4 PRO HB3 H 1 2.352 0.002 . 2 . . . A 4 PRO HB3 . 18334 1
25 . 1 1 4 4 PRO HG2 H 1 2.089 0.002 . 1 . . . A 4 PRO HG2 . 18334 1
26 . 1 1 4 4 PRO HG3 H 1 2.089 0.002 . 1 . . . A 4 PRO HG3 . 18334 1
27 . 1 1 4 4 PRO HD2 H 1 3.834 0.002 . 2 . . . A 4 PRO HD2 . 18334 1
28 . 1 1 4 4 PRO HD3 H 1 3.709 0.002 . 2 . . . A 4 PRO HD3 . 18334 1
29 . 1 1 5 5 GLN N N 15 119.721 0.05 . 1 . . . A 5 GLN N . 18334 1
30 . 1 1 5 5 GLN H H 1 8.457 0.002 . 1 . . . A 5 GLN H . 18334 1
31 . 1 1 5 5 GLN HA H 1 4.229 0.002 . 1 . . . A 5 GLN HA . 18334 1
32 . 1 1 5 5 GLN HB2 H 1 2.132 0.002 . 1 . . . A 5 GLN HB2 . 18334 1
33 . 1 1 5 5 GLN HB3 H 1 2.132 0.002 . 1 . . . A 5 GLN HB3 . 18334 1
34 . 1 1 5 5 GLN HG2 H 1 2.432 0.002 . 1 . . . A 5 GLN HG2 . 18334 1
35 . 1 1 5 5 GLN HG3 H 1 2.432 0.002 . 1 . . . A 5 GLN HG3 . 18334 1
36 . 1 1 5 5 GLN NE2 N 15 111.963 0.05 . 1 . . . A 5 GLN NE2 . 18334 1
37 . 1 1 5 5 GLN HE21 H 1 7.620 0.002 . 2 . . . A 5 GLN HE21 . 18334 1
38 . 1 1 5 5 GLN HE22 H 1 6.808 0.002 . 2 . . . A 5 GLN HE22 . 18334 1
39 . 1 1 6 6 GLN N N 15 121.276 0.05 . 1 . . . A 6 GLN N . 18334 1
40 . 1 1 6 6 GLN H H 1 8.209 0.002 . 1 . . . A 6 GLN H . 18334 1
41 . 1 1 6 6 GLN HA H 1 4.186 0.002 . 1 . . . A 6 GLN HA . 18334 1
42 . 1 1 6 6 GLN HB2 H 1 2.155 0.002 . 1 . . . A 6 GLN HB2 . 18334 1
43 . 1 1 6 6 GLN HB3 H 1 2.155 0.002 . 1 . . . A 6 GLN HB3 . 18334 1
44 . 1 1 6 6 GLN HG2 H 1 2.424 0.002 . 1 . . . A 6 GLN HG2 . 18334 1
45 . 1 1 6 6 GLN HG3 H 1 2.424 0.002 . 1 . . . A 6 GLN HG3 . 18334 1
46 . 1 1 6 6 GLN NE2 N 15 112.050 0.05 . 1 . . . A 6 GLN NE2 . 18334 1
47 . 1 1 6 6 GLN HE21 H 1 7.705 0.002 . 2 . . . A 6 GLN HE21 . 18334 1
48 . 1 1 6 6 GLN HE22 H 1 6.840 0.002 . 2 . . . A 6 GLN HE22 . 18334 1
49 . 1 1 7 7 GLU N N 15 119.814 0.05 . 1 . . . A 7 GLU N . 18334 1
50 . 1 1 7 7 GLU H H 1 8.481 0.002 . 1 . . . A 7 GLU H . 18334 1
51 . 1 1 7 7 GLU HA H 1 3.993 0.002 . 1 . . . A 7 GLU HA . 18334 1
52 . 1 1 7 7 GLU HB2 H 1 1.855 0.002 . 1 . . . A 7 GLU HB2 . 18334 1
53 . 1 1 7 7 GLU HB3 H 1 1.855 0.002 . 1 . . . A 7 GLU HB3 . 18334 1
54 . 1 1 7 7 GLU HG2 H 1 2.241 0.002 . 2 . . . A 7 GLU HG2 . 18334 1
55 . 1 1 7 7 GLU HG3 H 1 2.338 0.002 . 2 . . . A 7 GLU HG3 . 18334 1
56 . 1 1 8 8 LEU N N 15 122.128 0.05 . 1 . . . A 8 LEU N . 18334 1
57 . 1 1 8 8 LEU H H 1 7.798 0.002 . 1 . . . A 8 LEU H . 18334 1
58 . 1 1 8 8 LEU HA H 1 4.000 0.002 . 1 . . . A 8 LEU HA . 18334 1
59 . 1 1 8 8 LEU CB C 13 38.583 0.01 . 1 . . . A 8 LEU CB . 18334 1
60 . 1 1 8 8 LEU HB2 H 1 1.797 0.002 . 2 . . . A 8 LEU HB2 . 18334 1
61 . 1 1 8 8 LEU HB3 H 1 1.253 0.002 . 2 . . . A 8 LEU HB3 . 18334 1
62 . 1 1 8 8 LEU HG H 1 1.414 0.002 . 1 . . . A 8 LEU HG . 18334 1
63 . 1 1 8 8 LEU HD11 H 1 0.923 0.002 . 2 . . . A 8 LEU HD11 . 18334 1
64 . 1 1 8 8 LEU HD12 H 1 0.923 0.002 . 2 . . . A 8 LEU HD12 . 18334 1
65 . 1 1 8 8 LEU HD13 H 1 0.923 0.002 . 2 . . . A 8 LEU HD13 . 18334 1
66 . 1 1 8 8 LEU HD21 H 1 0.791 0.002 . 2 . . . A 8 LEU HD21 . 18334 1
67 . 1 1 8 8 LEU HD22 H 1 0.791 0.002 . 2 . . . A 8 LEU HD22 . 18334 1
68 . 1 1 8 8 LEU HD23 H 1 0.791 0.002 . 2 . . . A 8 LEU HD23 . 18334 1
69 . 1 1 8 8 LEU CD1 C 13 21.482 0.01 . 1 . . . A 8 LEU CD1 . 18334 1
70 . 1 1 8 8 LEU CD2 C 13 22.736 0.01 . 1 . . . A 8 LEU CD2 . 18334 1
71 . 1 1 9 9 GLU N N 15 119.454 0.05 . 1 . . . A 9 GLU N . 18334 1
72 . 1 1 9 9 GLU H H 1 8.033 0.002 . 1 . . . A 9 GLU H . 18334 1
73 . 1 1 9 9 GLU HA H 1 4.079 0.002 . 1 . . . A 9 GLU HA . 18334 1
74 . 1 1 9 9 GLU HB2 H 1 2.080 0.002 . 1 . . . A 9 GLU HB2 . 18334 1
75 . 1 1 9 9 GLU HB3 H 1 2.080 0.002 . 1 . . . A 9 GLU HB3 . 18334 1
76 . 1 1 9 9 GLU HG2 H 1 2.274 0.002 . 2 . . . A 9 GLU HG2 . 18334 1
77 . 1 1 9 9 GLU HG3 H 1 2.381 0.002 . 2 . . . A 9 GLU HG3 . 18334 1
78 . 1 1 10 10 GLU N N 15 119.338 0.05 . 1 . . . A 10 GLU N . 18334 1
79 . 1 1 10 10 GLU H H 1 8.157 0.002 . 1 . . . A 10 GLU H . 18334 1
80 . 1 1 10 10 GLU HA H 1 4.132 0.002 . 1 . . . A 10 GLU HA . 18334 1
81 . 1 1 10 10 GLU HB2 H 1 2.080 0.002 . 1 . . . A 10 GLU HB2 . 18334 1
82 . 1 1 10 10 GLU HB3 H 1 2.080 0.002 . 1 . . . A 10 GLU HB3 . 18334 1
83 . 1 1 10 10 GLU HG2 H 1 2.295 0.002 . 2 . . . A 10 GLU HG2 . 18334 1
84 . 1 1 10 10 GLU HG3 H 1 2.403 0.002 . 2 . . . A 10 GLU HG3 . 18334 1
85 . 1 1 11 11 CYS N N 15 119.277 0.05 . 1 . . . A 11 CYS N . 18334 1
86 . 1 1 11 11 CYS H H 1 7.940 0.002 . 1 . . . A 11 CYS H . 18334 1
87 . 1 1 11 11 CYS HA H 1 4.293 0.002 . 1 . . . A 11 CYS HA . 18334 1
88 . 1 1 11 11 CYS HB2 H 1 3.670 0.002 . 2 . . . A 11 CYS HB2 . 18334 1
89 . 1 1 11 11 CYS HB3 H 1 3.241 0.002 . 2 . . . A 11 CYS HB3 . 18334 1
90 . 1 1 12 12 GLN N N 15 118.168 0.05 . 1 . . . A 12 GLN N . 18334 1
91 . 1 1 12 12 GLN H H 1 8.591 0.002 . 1 . . . A 12 GLN H . 18334 1
92 . 1 1 12 12 GLN HA H 1 3.820 0.002 . 1 . . . A 12 GLN HA . 18334 1
93 . 1 1 12 12 GLN HB2 H 1 2.371 0.002 . 2 . . . A 12 GLN HB2 . 18334 1
94 . 1 1 12 12 GLN HB3 H 1 1.984 0.002 . 2 . . . A 12 GLN HB3 . 18334 1
95 . 1 1 12 12 GLN HG2 H 1 2.115 0.002 . 2 . . . A 12 GLN HG2 . 18334 1
96 . 1 1 12 12 GLN HG3 H 1 2.888 0.002 . 2 . . . A 12 GLN HG3 . 18334 1
97 . 1 1 12 12 GLN NE2 N 15 110.513 0.05 . 1 . . . A 12 GLN NE2 . 18334 1
98 . 1 1 12 12 GLN HE21 H 1 7.073 0.002 . 1 . . . A 12 GLN HE21 . 18334 1
99 . 1 1 12 12 GLN HE22 H 1 7.073 0.002 . 1 . . . A 12 GLN HE22 . 18334 1
100 . 1 1 13 13 ASN N N 15 118.601 0.05 . 1 . . . A 13 ASN N . 18334 1
101 . 1 1 13 13 ASN H H 1 8.495 0.002 . 1 . . . A 13 ASN H . 18334 1
102 . 1 1 13 13 ASN HA H 1 4.457 0.002 . 1 . . . A 13 ASN HA . 18334 1
103 . 1 1 13 13 ASN HB2 H 1 3.006 0.002 . 2 . . . A 13 ASN HB2 . 18334 1
104 . 1 1 13 13 ASN HB3 H 1 2.872 0.002 . 2 . . . A 13 ASN HB3 . 18334 1
105 . 1 1 13 13 ASN ND2 N 15 112.597 0.05 . 1 . . . A 13 ASN ND2 . 18334 1
106 . 1 1 13 13 ASN HD21 H 1 7.604 0.002 . 2 . . . A 13 ASN HD21 . 18334 1
107 . 1 1 13 13 ASN HD22 H 1 6.935 0.002 . 2 . . . A 13 ASN HD22 . 18334 1
108 . 1 1 14 14 VAL N N 15 120.512 0.05 . 1 . . . A 14 VAL N . 18334 1
109 . 1 1 14 14 VAL H H 1 7.939 0.002 . 1 . . . A 14 VAL H . 18334 1
110 . 1 1 14 14 VAL HA H 1 3.682 0.002 . 1 . . . A 14 VAL HA . 18334 1
111 . 1 1 14 14 VAL HB H 1 2.402 0.002 . 1 . . . A 14 VAL HB . 18334 1
112 . 1 1 14 14 VAL HG11 H 1 1.156 0.002 . 2 . . . A 14 VAL HG11 . 18334 1
113 . 1 1 14 14 VAL HG12 H 1 1.156 0.002 . 2 . . . A 14 VAL HG12 . 18334 1
114 . 1 1 14 14 VAL HG13 H 1 1.156 0.002 . 2 . . . A 14 VAL HG13 . 18334 1
115 . 1 1 14 14 VAL HG21 H 1 0.963 0.002 . 2 . . . A 14 VAL HG21 . 18334 1
116 . 1 1 14 14 VAL HG22 H 1 0.963 0.002 . 2 . . . A 14 VAL HG22 . 18334 1
117 . 1 1 14 14 VAL HG23 H 1 0.963 0.002 . 2 . . . A 14 VAL HG23 . 18334 1
118 . 1 1 14 14 VAL CG1 C 13 20.385 0.01 . 1 . . . A 14 VAL CG1 . 18334 1
119 . 1 1 14 14 VAL CG2 C 13 17.877 0.01 . 1 . . . A 14 VAL CG2 . 18334 1
120 . 1 1 15 15 CYS N N 15 116.357 0.05 . 1 . . . A 15 CYS N . 18334 1
121 . 1 1 15 15 CYS H H 1 7.624 0.002 . 1 . . . A 15 CYS H . 18334 1
122 . 1 1 15 15 CYS HA H 1 4.498 0.002 . 1 . . . A 15 CYS HA . 18334 1
123 . 1 1 15 15 CYS HB2 H 1 3.692 0.002 . 2 . . . A 15 CYS HB2 . 18334 1
124 . 1 1 15 15 CYS HB3 H 1 3.402 0.002 . 2 . . . A 15 CYS HB3 . 18334 1
125 . 1 1 16 16 ARG N N 15 115.085 0.05 . 1 . . . A 16 ARG N . 18334 1
126 . 1 1 16 16 ARG H H 1 7.631 0.002 . 1 . . . A 16 ARG H . 18334 1
127 . 1 1 16 16 ARG HA H 1 4.284 0.002 . 1 . . . A 16 ARG HA . 18334 1
128 . 1 1 16 16 ARG HB2 H 1 2.123 0.002 . 2 . . . A 16 ARG HB2 . 18334 1
129 . 1 1 16 16 ARG HB3 H 1 1.908 0.002 . 2 . . . A 16 ARG HB3 . 18334 1
130 . 1 1 16 16 ARG HG3 H 1 1.685 0.002 . 1 . . . A 16 ARG HG3 . 18334 1
131 . 1 1 16 16 ARG HD2 H 1 3.303 0.002 . 2 . . . A 16 ARG HD2 . 18334 1
132 . 1 1 16 16 ARG HD3 H 1 3.087 0.002 . 2 . . . A 16 ARG HD3 . 18334 1
133 . 1 1 16 16 ARG NE N 15 85.819 0.05 . 1 . . . A 16 ARG NE . 18334 1
134 . 1 1 16 16 ARG HE H 1 7.783 0.002 . 1 . . . A 16 ARG HE . 18334 1
135 . 1 1 17 17 MET N N 15 117.779 0.05 . 1 . . . A 17 MET N . 18334 1
136 . 1 1 17 17 MET H H 1 7.666 0.002 . 1 . . . A 17 MET H . 18334 1
137 . 1 1 17 17 MET HA H 1 4.498 0.002 . 1 . . . A 17 MET HA . 18334 1
138 . 1 1 17 17 MET HB2 H 1 2.093 0.002 . 2 . . . A 17 MET HB2 . 18334 1
139 . 1 1 17 17 MET HB3 H 1 2.162 0.002 . 2 . . . A 17 MET HB3 . 18334 1
140 . 1 1 17 17 MET HG2 H 1 2.660 0.002 . 2 . . . A 17 MET HG2 . 18334 1
141 . 1 1 17 17 MET HG3 H 1 2.705 0.002 . 2 . . . A 17 MET HG3 . 18334 1
142 . 1 1 18 18 LYS N N 15 119.805 0.05 . 1 . . . A 18 LYS N . 18334 1
143 . 1 1 18 18 LYS H H 1 7.140 0.002 . 1 . . . A 18 LYS H . 18334 1
144 . 1 1 18 18 LYS HA H 1 3.939 0.002 . 1 . . . A 18 LYS HA . 18334 1
145 . 1 1 18 18 LYS CB C 13 29.398 0.01 . 1 . . . A 18 LYS CB . 18334 1
146 . 1 1 18 18 LYS HB2 H 1 0.810 0.002 . 2 . . . A 18 LYS HB2 . 18334 1
147 . 1 1 18 18 LYS HB3 H 1 0.467 0.002 . 2 . . . A 18 LYS HB3 . 18334 1
148 . 1 1 18 18 LYS HG2 H 1 0.931 0.002 . 2 . . . A 18 LYS HG2 . 18334 1
149 . 1 1 18 18 LYS HG3 H 1 0.703 0.002 . 2 . . . A 18 LYS HG3 . 18334 1
150 . 1 1 18 18 LYS CD C 13 25.597 0.01 . 1 . . . A 18 LYS CD . 18334 1
151 . 1 1 18 18 LYS HD2 H 1 0.848 0.002 . 1 . . . A 18 LYS HD2 . 18334 1
152 . 1 1 18 18 LYS HD3 H 1 0.848 0.002 . 1 . . . A 18 LYS HD3 . 18334 1
153 . 1 1 18 18 LYS CE C 13 39.498 0.01 . 1 . . . A 18 LYS CE . 18334 1
154 . 1 1 18 18 LYS HE2 H 1 2.573 0.002 . 2 . . . A 18 LYS HE2 . 18334 1
155 . 1 1 18 18 LYS HE3 H 1 2.514 0.002 . 2 . . . A 18 LYS HE3 . 18334 1
156 . 1 1 19 19 ARG HA H 1 4.333 0.002 . 1 . . . A 19 ARG HA . 18334 1
157 . 1 1 19 19 ARG HB2 H 1 1.957 0.002 . 2 . . . A 19 ARG HB2 . 18334 1
158 . 1 1 19 19 ARG HB3 H 1 1.814 0.002 . 2 . . . A 19 ARG HB3 . 18334 1
159 . 1 1 19 19 ARG CD C 13 40.810 0.01 . 1 . . . A 19 ARG CD . 18334 1
160 . 1 1 19 19 ARG HD2 H 1 3.227 0.002 . 1 . . . A 19 ARG HD2 . 18334 1
161 . 1 1 19 19 ARG HD3 H 1 3.227 0.002 . 1 . . . A 19 ARG HD3 . 18334 1
162 . 1 1 20 20 TRP N N 15 120.626 0.05 . 1 . . . A 20 TRP N . 18334 1
163 . 1 1 20 20 TRP H H 1 7.631 0.002 . 1 . . . A 20 TRP H . 18334 1
164 . 1 1 20 20 TRP CA C 13 51.215 0.01 . 1 . . . A 20 TRP CA . 18334 1
165 . 1 1 20 20 TRP HA H 1 5.134 0.002 . 1 . . . A 20 TRP HA . 18334 1
166 . 1 1 20 20 TRP HB2 H 1 3.621 0.002 . 2 . . . A 20 TRP HB2 . 18334 1
167 . 1 1 20 20 TRP HB3 H 1 3.320 0.002 . 2 . . . A 20 TRP HB3 . 18334 1
168 . 1 1 20 20 TRP NE1 N 15 127.687 0.05 . 1 . . . A 20 TRP NE1 . 18334 1
169 . 1 1 20 20 TRP HD1 H 1 7.097 0.002 . 1 . . . A 20 TRP HD1 . 18334 1
170 . 1 1 20 20 TRP HE3 H 1 7.497 0.002 . 1 . . . A 20 TRP HE3 . 18334 1
171 . 1 1 20 20 TRP HE1 H 1 10.100 0.002 . 1 . . . A 20 TRP HE1 . 18334 1
172 . 1 1 20 20 TRP HZ3 H 1 7.187 0.002 . 1 . . . A 20 TRP HZ3 . 18334 1
173 . 1 1 20 20 TRP HZ2 H 1 7.609 0.002 . 1 . . . A 20 TRP HZ2 . 18334 1
174 . 1 1 20 20 TRP HH2 H 1 7.250 0.002 . 1 . . . A 20 TRP HH2 . 18334 1
175 . 1 1 21 21 SER N N 15 115.180 0.05 . 1 . . . A 21 SER N . 18334 1
176 . 1 1 21 21 SER H H 1 8.387 0.002 . 1 . . . A 21 SER H . 18334 1
177 . 1 1 21 21 SER HA H 1 4.584 0.002 . 1 . . . A 21 SER HA . 18334 1
178 . 1 1 21 21 SER HB2 H 1 4.396 0.002 . 2 . . . A 21 SER HB2 . 18334 1
179 . 1 1 21 21 SER HB3 H 1 4.108 0.002 . 2 . . . A 21 SER HB3 . 18334 1
180 . 1 1 22 22 THR N N 15 116.947 0.05 . 1 . . . A 22 THR N . 18334 1
181 . 1 1 22 22 THR H H 1 8.723 0.002 . 1 . . . A 22 THR H . 18334 1
182 . 1 1 22 22 THR HA H 1 3.836 0.002 . 1 . . . A 22 THR HA . 18334 1
183 . 1 1 22 22 THR CB C 13 65.952 0.01 . 1 . . . A 22 THR CB . 18334 1
184 . 1 1 22 22 THR HB H 1 4.108 0.002 . 1 . . . A 22 THR HB . 18334 1
185 . 1 1 22 22 THR HG21 H 1 1.224 0.002 . 1 . . . A 22 THR HG21 . 18334 1
186 . 1 1 22 22 THR HG22 H 1 1.224 0.002 . 1 . . . A 22 THR HG22 . 18334 1
187 . 1 1 22 22 THR HG23 H 1 1.224 0.002 . 1 . . . A 22 THR HG23 . 18334 1
188 . 1 1 22 22 THR CG2 C 13 19.484 0.01 . 1 . . . A 22 THR CG2 . 18334 1
189 . 1 1 23 23 GLU N N 15 120.452 0.05 . 1 . . . A 23 GLU N . 18334 1
190 . 1 1 23 23 GLU H H 1 8.558 0.002 . 1 . . . A 23 GLU H . 18334 1
191 . 1 1 23 23 GLU HA H 1 4.121 0.002 . 1 . . . A 23 GLU HA . 18334 1
192 . 1 1 23 23 GLU HB2 H 1 1.919 0.002 . 2 . . . A 23 GLU HB2 . 18334 1
193 . 1 1 23 23 GLU HB3 H 1 2.070 0.002 . 2 . . . A 23 GLU HB3 . 18334 1
194 . 1 1 23 23 GLU HG2 H 1 2.295 0.002 . 1 . . . A 23 GLU HG2 . 18334 1
195 . 1 1 23 23 GLU HG3 H 1 2.295 0.002 . 1 . . . A 23 GLU HG3 . 18334 1
196 . 1 1 24 24 MET N N 15 119.365 0.05 . 1 . . . A 24 MET N . 18334 1
197 . 1 1 24 24 MET H H 1 7.472 0.002 . 1 . . . A 24 MET H . 18334 1
198 . 1 1 24 24 MET HA H 1 4.027 0.002 . 1 . . . A 24 MET HA . 18334 1
199 . 1 1 24 24 MET HB2 H 1 1.865 0.002 . 2 . . . A 24 MET HB2 . 18334 1
200 . 1 1 24 24 MET HB3 H 1 1.141 0.002 . 2 . . . A 24 MET HB3 . 18334 1
201 . 1 1 24 24 MET HG2 H 1 2.251 0.002 . 2 . . . A 24 MET HG2 . 18334 1
202 . 1 1 24 24 MET HG3 H 1 2.469 0.002 . 2 . . . A 24 MET HG3 . 18334 1
203 . 1 1 25 25 VAL N N 15 122.660 0.05 . 1 . . . A 25 VAL N . 18334 1
204 . 1 1 25 25 VAL H H 1 8.353 0.002 . 1 . . . A 25 VAL H . 18334 1
205 . 1 1 25 25 VAL HA H 1 3.603 0.002 . 1 . . . A 25 VAL HA . 18334 1
206 . 1 1 25 25 VAL HB H 1 2.276 0.002 . 1 . . . A 25 VAL HB . 18334 1
207 . 1 1 25 25 VAL HG11 H 1 1.300 0.002 . 2 . . . A 25 VAL HG11 . 18334 1
208 . 1 1 25 25 VAL HG12 H 1 1.300 0.002 . 2 . . . A 25 VAL HG12 . 18334 1
209 . 1 1 25 25 VAL HG13 H 1 1.300 0.002 . 2 . . . A 25 VAL HG13 . 18334 1
210 . 1 1 25 25 VAL HG21 H 1 0.953 0.002 . 2 . . . A 25 VAL HG21 . 18334 1
211 . 1 1 25 25 VAL HG22 H 1 0.953 0.002 . 2 . . . A 25 VAL HG22 . 18334 1
212 . 1 1 25 25 VAL HG23 H 1 0.953 0.002 . 2 . . . A 25 VAL HG23 . 18334 1
213 . 1 1 25 25 VAL CG1 C 13 20.542 0.01 . 1 . . . A 25 VAL CG1 . 18334 1
214 . 1 1 25 25 VAL CG2 C 13 22.384 0.01 . 1 . . . A 25 VAL CG2 . 18334 1
215 . 1 1 26 26 HIS N N 15 117.842 0.05 . 1 . . . A 26 HIS N . 18334 1
216 . 1 1 26 26 HIS H H 1 8.292 0.002 . 1 . . . A 26 HIS H . 18334 1
217 . 1 1 26 26 HIS HA H 1 4.755 0.002 . 1 . . . A 26 HIS HA . 18334 1
218 . 1 1 26 26 HIS HB2 H 1 3.288 0.002 . 1 . . . A 26 HIS HB2 . 18334 1
219 . 1 1 26 26 HIS HB3 H 1 3.288 0.002 . 1 . . . A 26 HIS HB3 . 18334 1
220 . 1 1 26 26 HIS HD2 H 1 7.157 0.002 . 1 . . . A 26 HIS HD2 . 18334 1
221 . 1 1 26 26 HIS HE1 H 1 8.122 0.002 . 1 . . . A 26 HIS HE1 . 18334 1
222 . 1 1 27 27 ARG N N 15 119.552 0.05 . 1 . . . A 27 ARG N . 18334 1
223 . 1 1 27 27 ARG H H 1 8.040 0.002 . 1 . . . A 27 ARG H . 18334 1
224 . 1 1 27 27 ARG HA H 1 4.017 0.002 . 1 . . . A 27 ARG HA . 18334 1
225 . 1 1 27 27 ARG HB2 H 1 1.898 0.002 . 1 . . . A 27 ARG HB2 . 18334 1
226 . 1 1 27 27 ARG HB3 H 1 1.898 0.002 . 1 . . . A 27 ARG HB3 . 18334 1
227 . 1 1 27 27 ARG HG2 H 1 1.683 0.002 . 1 . . . A 27 ARG HG2 . 18334 1
228 . 1 1 27 27 ARG HG3 H 1 1.683 0.002 . 1 . . . A 27 ARG HG3 . 18334 1
229 . 1 1 27 27 ARG HD2 H 1 3.187 0.002 . 1 . . . A 27 ARG HD2 . 18334 1
230 . 1 1 27 27 ARG HD3 H 1 3.187 0.002 . 1 . . . A 27 ARG HD3 . 18334 1
231 . 1 1 28 28 CYS N N 15 120.884 0.05 . 1 . . . A 28 CYS N . 18334 1
232 . 1 1 28 28 CYS H H 1 7.987 0.002 . 1 . . . A 28 CYS H . 18334 1
233 . 1 1 28 28 CYS HA H 1 4.338 0.002 . 1 . . . A 28 CYS HA . 18334 1
234 . 1 1 28 28 CYS HB2 H 1 3.874 0.002 . 2 . . . A 28 CYS HB2 . 18334 1
235 . 1 1 28 28 CYS HB3 H 1 3.155 0.002 . 2 . . . A 28 CYS HB3 . 18334 1
236 . 1 1 29 29 GLU N N 15 122.292 0.05 . 1 . . . A 29 GLU N . 18334 1
237 . 1 1 29 29 GLU H H 1 9.094 0.002 . 1 . . . A 29 GLU H . 18334 1
238 . 1 1 29 29 GLU HA H 1 3.737 0.002 . 1 . . . A 29 GLU HA . 18334 1
239 . 1 1 29 29 GLU HB2 H 1 2.112 0.002 . 2 . . . A 29 GLU HB2 . 18334 1
240 . 1 1 29 29 GLU HB3 H 1 2.510 0.002 . 2 . . . A 29 GLU HB3 . 18334 1
241 . 1 1 29 29 GLU HG2 H 1 2.784 0.002 . 2 . . . A 29 GLU HG2 . 18334 1
242 . 1 1 29 29 GLU HG3 H 1 1.962 0.002 . 2 . . . A 29 GLU HG3 . 18334 1
243 . 1 1 30 30 LYS N N 15 120.478 0.05 . 1 . . . A 30 LYS N . 18334 1
244 . 1 1 30 30 LYS H H 1 8.185 0.002 . 1 . . . A 30 LYS H . 18334 1
245 . 1 1 30 30 LYS HA H 1 4.194 0.002 . 1 . . . A 30 LYS HA . 18334 1
246 . 1 1 30 30 LYS HB2 H 1 1.941 0.002 . 1 . . . A 30 LYS HB2 . 18334 1
247 . 1 1 30 30 LYS HB3 H 1 1.941 0.002 . 1 . . . A 30 LYS HB3 . 18334 1
248 . 1 1 30 30 LYS CG C 13 21.522 0.01 . 1 . . . A 30 LYS CG . 18334 1
249 . 1 1 30 30 LYS HG2 H 1 1.715 0.002 . 2 . . . A 30 LYS HG2 . 18334 1
250 . 1 1 30 30 LYS HG3 H 1 1.489 0.002 . 2 . . . A 30 LYS HG3 . 18334 1
251 . 1 1 31 31 LYS N N 15 121.389 0.05 . 1 . . . A 31 LYS N . 18334 1
252 . 1 1 31 31 LYS H H 1 7.985 0.002 . 1 . . . A 31 LYS H . 18334 1
253 . 1 1 31 31 LYS HA H 1 4.223 0.002 . 1 . . . A 31 LYS HA . 18334 1
254 . 1 1 31 31 LYS HB2 H 1 2.112 0.002 . 1 . . . A 31 LYS HB2 . 18334 1
255 . 1 1 31 31 LYS HB3 H 1 2.112 0.002 . 1 . . . A 31 LYS HB3 . 18334 1
256 . 1 1 31 31 LYS HG2 H 1 1.736 0.002 . 2 . . . A 31 LYS HG2 . 18334 1
257 . 1 1 31 31 LYS HG3 H 1 1.608 0.002 . 2 . . . A 31 LYS HG3 . 18334 1
258 . 1 1 31 31 LYS CE C 13 39.498 0.01 . 1 . . . A 31 LYS CE . 18334 1
259 . 1 1 31 31 LYS HE2 H 1 3.006 0.002 . 1 . . . A 31 LYS HE2 . 18334 1
260 . 1 1 31 31 LYS HE3 H 1 3.006 0.002 . 1 . . . A 31 LYS HE3 . 18334 1
261 . 1 1 32 32 CYS N N 15 117.506 0.05 . 1 . . . A 32 CYS N . 18334 1
262 . 1 1 32 32 CYS H H 1 8.098 0.002 . 1 . . . A 32 CYS H . 18334 1
263 . 1 1 32 32 CYS HA H 1 4.487 0.002 . 1 . . . A 32 CYS HA . 18334 1
264 . 1 1 32 32 CYS HB2 H 1 3.595 0.002 . 2 . . . A 32 CYS HB2 . 18334 1
265 . 1 1 32 32 CYS HB3 H 1 3.122 0.002 . 2 . . . A 32 CYS HB3 . 18334 1
266 . 1 1 33 33 GLU N N 15 119.475 0.05 . 1 . . . A 33 GLU N . 18334 1
267 . 1 1 33 33 GLU H H 1 7.753 0.002 . 1 . . . A 33 GLU H . 18334 1
268 . 1 1 33 33 GLU HA H 1 4.065 0.002 . 1 . . . A 33 GLU HA . 18334 1
269 . 1 1 33 33 GLU HB2 H 1 2.285 0.002 . 1 . . . A 33 GLU HB2 . 18334 1
270 . 1 1 33 33 GLU HB3 H 1 2.285 0.002 . 1 . . . A 33 GLU HB3 . 18334 1
271 . 1 1 33 33 GLU HG2 H 1 2.482 0.002 . 1 . . . A 33 GLU HG2 . 18334 1
272 . 1 1 33 33 GLU HG3 H 1 2.482 0.002 . 1 . . . A 33 GLU HG3 . 18334 1
273 . 1 1 34 34 GLU N N 15 118.873 0.05 . 1 . . . A 34 GLU N . 18334 1
274 . 1 1 34 34 GLU H H 1 8.072 0.002 . 1 . . . A 34 GLU H . 18334 1
275 . 1 1 34 34 GLU HA H 1 4.111 0.002 . 1 . . . A 34 GLU HA . 18334 1
276 . 1 1 34 34 GLU HB2 H 1 2.155 0.002 . 1 . . . A 34 GLU HB2 . 18334 1
277 . 1 1 34 34 GLU HB3 H 1 2.155 0.002 . 1 . . . A 34 GLU HB3 . 18334 1
278 . 1 1 34 34 GLU HG2 H 1 2.244 0.002 . 2 . . . A 34 GLU HG2 . 18334 1
279 . 1 1 34 34 GLU HG3 H 1 2.510 0.002 . 2 . . . A 34 GLU HG3 . 18334 1
280 . 1 1 35 35 LYS N N 15 118.244 0.05 . 1 . . . A 35 LYS N . 18334 1
281 . 1 1 35 35 LYS H H 1 7.732 0.002 . 1 . . . A 35 LYS H . 18334 1
282 . 1 1 35 35 LYS HA H 1 4.070 0.002 . 1 . . . A 35 LYS HA . 18334 1
283 . 1 1 35 35 LYS HB2 H 1 1.747 0.002 . 2 . . . A 35 LYS HB2 . 18334 1
284 . 1 1 35 35 LYS HB3 H 1 1.640 0.002 . 2 . . . A 35 LYS HB3 . 18334 1
285 . 1 1 35 35 LYS CG C 13 22.070 0.01 . 1 . . . A 35 LYS CG . 18334 1
286 . 1 1 35 35 LYS HG2 H 1 1.265 0.002 . 2 . . . A 35 LYS HG2 . 18334 1
287 . 1 1 35 35 LYS HG3 H 1 1.006 0.002 . 2 . . . A 35 LYS HG3 . 18334 1
288 . 1 1 35 35 LYS HD2 H 1 1.619 0.002 . 1 . . . A 35 LYS HD2 . 18334 1
289 . 1 1 35 35 LYS HD3 H 1 1.619 0.002 . 1 . . . A 35 LYS HD3 . 18334 1
290 . 1 1 35 35 LYS HE2 H 1 2.919 0.002 . 1 . . . A 35 LYS HE2 . 18334 1
291 . 1 1 35 35 LYS HE3 H 1 2.919 0.002 . 1 . . . A 35 LYS HE3 . 18334 1
292 . 1 1 36 36 PHE N N 15 117.068 0.05 . 1 . . . A 36 PHE N . 18334 1
293 . 1 1 36 36 PHE H H 1 7.710 0.002 . 1 . . . A 36 PHE H . 18334 1
294 . 1 1 36 36 PHE HA H 1 4.659 0.002 . 1 . . . A 36 PHE HA . 18334 1
295 . 1 1 36 36 PHE CB C 13 37.362 0.01 . 1 . . . A 36 PHE CB . 18334 1
296 . 1 1 36 36 PHE HB2 H 1 3.389 0.002 . 2 . . . A 36 PHE HB2 . 18334 1
297 . 1 1 36 36 PHE HB3 H 1 2.972 0.002 . 2 . . . A 36 PHE HB3 . 18334 1
298 . 1 1 36 36 PHE HD1 H 1 7.428 0.002 . 1 . . . A 36 PHE HD1 . 18334 1
299 . 1 1 36 36 PHE HE1 H 1 7.350 0.002 . 1 . . . A 36 PHE HE1 . 18334 1
300 . 1 1 36 36 PHE HZ H 1 7.302 0.002 . 1 . . . A 36 PHE HZ . 18334 1
301 . 1 1 36 36 PHE HE2 H 1 7.350 0.002 . 1 . . . A 36 PHE HE2 . 18334 1
302 . 1 1 36 36 PHE HD2 H 1 7.428 0.002 . 1 . . . A 36 PHE HD2 . 18334 1
303 . 1 1 37 37 GLU N N 15 120.796 0.05 . 1 . . . A 37 GLU N . 18334 1
304 . 1 1 37 37 GLU H H 1 8.125 0.002 . 1 . . . A 37 GLU H . 18334 1
305 . 1 1 37 37 GLU HA H 1 4.248 0.002 . 1 . . . A 37 GLU HA . 18334 1
306 . 1 1 37 37 GLU HB2 H 1 2.134 0.002 . 1 . . . A 37 GLU HB2 . 18334 1
307 . 1 1 37 37 GLU HB3 H 1 2.134 0.002 . 1 . . . A 37 GLU HB3 . 18334 1
308 . 1 1 37 37 GLU HG2 H 1 2.338 0.002 . 2 . . . A 37 GLU HG2 . 18334 1
309 . 1 1 37 37 GLU HG3 H 1 2.403 0.002 . 2 . . . A 37 GLU HG3 . 18334 1
310 . 1 1 38 38 ARG N N 15 120.517 0.05 . 1 . . . A 38 ARG N . 18334 1
311 . 1 1 38 38 ARG H H 1 8.158 0.002 . 1 . . . A 38 ARG H . 18334 1
312 . 1 1 38 38 ARG HA H 1 4.358 0.002 . 1 . . . A 38 ARG HA . 18334 1
313 . 1 1 38 38 ARG HB2 H 1 1.932 0.002 . 2 . . . A 38 ARG HB2 . 18334 1
314 . 1 1 38 38 ARG HB3 H 1 1.865 0.002 . 2 . . . A 38 ARG HB3 . 18334 1
315 . 1 1 38 38 ARG HG2 H 1 1.745 0.002 . 1 . . . A 38 ARG HG2 . 18334 1
316 . 1 1 38 38 ARG HG3 H 1 1.745 0.002 . 1 . . . A 38 ARG HG3 . 18334 1
317 . 1 1 38 38 ARG HD2 H 1 3.267 0.002 . 1 . . . A 38 ARG HD2 . 18334 1
318 . 1 1 38 38 ARG HD3 H 1 3.267 0.002 . 1 . . . A 38 ARG HD3 . 18334 1
319 . 1 1 39 39 GLN N N 15 120.472 0.05 . 1 . . . A 39 GLN N . 18334 1
320 . 1 1 39 39 GLN H H 1 8.208 0.002 . 1 . . . A 39 GLN H . 18334 1
321 . 1 1 39 39 GLN HA H 1 4.357 0.002 . 1 . . . A 39 GLN HA . 18334 1
322 . 1 1 39 39 GLN HB2 H 1 2.005 0.002 . 2 . . . A 39 GLN HB2 . 18334 1
323 . 1 1 39 39 GLN HB3 H 1 2.073 0.002 . 2 . . . A 39 GLN HB3 . 18334 1
324 . 1 1 39 39 GLN CG C 13 31.230 0.01 . 1 . . . A 39 GLN CG . 18334 1
325 . 1 1 39 39 GLN HG2 H 1 2.435 0.002 . 2 . . . A 39 GLN HG2 . 18334 1
326 . 1 1 39 39 GLN HG3 H 1 2.049 0.002 . 2 . . . A 39 GLN HG3 . 18334 1
327 . 1 1 39 39 GLN NE2 N 15 112.148 0.05 . 1 . . . A 39 GLN NE2 . 18334 1
328 . 1 1 39 39 GLN HE21 H 1 7.509 0.002 . 2 . . . A 39 GLN HE21 . 18334 1
329 . 1 1 39 39 GLN HE22 H 1 6.886 0.002 . 2 . . . A 39 GLN HE22 . 18334 1
330 . 1 1 40 40 GLN N N 15 121.629 0.05 . 1 . . . A 40 GLN N . 18334 1
331 . 1 1 40 40 GLN H H 1 8.268 0.002 . 1 . . . A 40 GLN H . 18334 1
332 . 1 1 40 40 GLN HA H 1 4.358 0.002 . 1 . . . A 40 GLN HA . 18334 1
333 . 1 1 40 40 GLN HB2 H 1 2.360 0.002 . 2 . . . A 40 GLN HB2 . 18334 1
334 . 1 1 40 40 GLN HB3 H 1 2.145 0.002 . 2 . . . A 40 GLN HB3 . 18334 1
335 . 1 1 40 40 GLN HG2 H 1 2.005 0.002 . 1 . . . A 40 GLN HG2 . 18334 1
336 . 1 1 40 40 GLN HG3 H 1 2.005 0.002 . 1 . . . A 40 GLN HG3 . 18334 1
337 . 1 1 40 40 GLN NE2 N 15 112.395 0.05 . 1 . . . A 40 GLN NE2 . 18334 1
338 . 1 1 40 40 GLN HE21 H 1 6.781 0.002 . 2 . . . A 40 GLN HE21 . 18334 1
339 . 1 1 40 40 GLN HE22 H 1 7.483 0.002 . 2 . . . A 40 GLN HE22 . 18334 1
340 . 1 1 41 41 ARG N N 15 127.847 0.05 . 1 . . . A 41 ARG N . 18334 1
341 . 1 1 41 41 ARG H H 1 7.948 0.002 . 1 . . . A 41 ARG H . 18334 1
342 . 1 1 41 41 ARG HA H 1 4.211 0.002 . 1 . . . A 41 ARG HA . 18334 1
343 . 1 1 41 41 ARG HB2 H 1 1.887 0.002 . 2 . . . A 41 ARG HB2 . 18334 1
344 . 1 1 41 41 ARG HB3 H 1 1.747 0.002 . 2 . . . A 41 ARG HB3 . 18334 1
345 . 1 1 41 41 ARG HG2 H 1 1.640 0.002 . 1 . . . A 41 ARG HG2 . 18334 1
346 . 1 1 41 41 ARG HG3 H 1 1.640 0.002 . 1 . . . A 41 ARG HG3 . 18334 1
347 . 1 1 41 41 ARG HD2 H 1 3.221 0.002 . 1 . . . A 41 ARG HD2 . 18334 1
348 . 1 1 41 41 ARG HD3 H 1 3.221 0.002 . 1 . . . A 41 ARG HD3 . 18334 1
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