Content for NMR-STAR saveframe, "assigned_chem_shift_list_2"
save_assigned_chem_shift_list_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2
_Assigned_chem_shift_list.Entry_ID 15708
_Assigned_chem_shift_list.ID 2
_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 0.003
_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 'deviation from averaging procedure'
_Assigned_chem_shift_list.Details 'chemical shifts are referenced to the water position at 4.63 ppm at 310K'
_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
7 '2D 1H-1H NOESY' . . . 15708 2
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 $XEASY_CARA . . 15708 2
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 MET HA H 1 4.071 0.003 . 1 . . . . 1 MET HA . 15708 2
2 . 1 1 2 2 ASN H H 1 8.990 0.005 . 1 . . . . 2 ASN H . 15708 2
3 . 1 1 2 2 ASN HA H 1 4.920 0.004 . 1 . . . . 2 ASN HA . 15708 2
4 . 1 1 2 2 ASN HB2 H 1 2.920 0.003 . 2 . . . . 2 ASN HB2 . 15708 2
5 . 1 1 2 2 ASN HB3 H 1 2.800 0.003 . 2 . . . . 2 ASN HB3 . 15708 2
6 . 1 1 2 2 ASN HD21 H 1 7.660 0.003 . 2 . . . . 2 ASN HD21 . 15708 2
7 . 1 1 2 2 ASN HD22 H 1 6.900 0.003 . 2 . . . . 2 ASN HD22 . 15708 2
8 . 1 1 3 3 THR H H 1 8.630 0.002 . 1 . . . . 3 THR H . 15708 2
9 . 1 1 3 3 THR HA H 1 3.890 0.001 . 1 . . . . 3 THR HA . 15708 2
10 . 1 1 3 3 THR HB H 1 4.200 0.003 . 1 . . . . 3 THR HB . 15708 2
11 . 1 1 3 3 THR HG21 H 1 1.198 0.003 . 1 . . . . 3 THR HG21 . 15708 2
12 . 1 1 3 3 THR HG22 H 1 1.198 0.003 . 1 . . . . 3 THR HG22 . 15708 2
13 . 1 1 3 3 THR HG23 H 1 1.198 0.003 . 1 . . . . 3 THR HG23 . 15708 2
14 . 1 1 4 4 SER H H 1 8.430 0.002 . 1 . . . . 4 SER H . 15708 2
15 . 1 1 4 4 SER HA H 1 4.137 0.003 . 1 . . . . 4 SER HA . 15708 2
16 . 1 1 4 4 SER HB2 H 1 3.905 0.001 . 1 . . . . 4 SER HB2 . 15708 2
17 . 1 1 4 4 SER HB3 H 1 3.905 0.001 . 1 . . . . 4 SER HB3 . 15708 2
18 . 1 1 5 5 HIS H H 1 8.108 0.004 . 1 . . . . 5 HIS H . 15708 2
19 . 1 1 5 5 HIS HA H 1 4.502 0.003 . 1 . . . . 5 HIS HA . 15708 2
20 . 1 1 5 5 HIS HB2 H 1 3.250 0.001 . 1 . . . . 5 HIS HB2 . 15708 2
21 . 1 1 5 5 HIS HB3 H 1 3.250 0.001 . 1 . . . . 5 HIS HB3 . 15708 2
22 . 1 1 5 5 HIS HD2 H 1 6.890 0.003 . 1 . . . . 5 HIS HD2 . 15708 2
23 . 1 1 5 5 HIS HE1 H 1 7.660 0.003 . 1 . . . . 5 HIS HE1 . 15708 2
24 . 1 1 6 6 LEU H H 1 7.688 0.002 . 1 . . . . 6 LEU H . 15708 2
25 . 1 1 6 6 LEU HA H 1 3.984 0.002 . 1 . . . . 6 LEU HA . 15708 2
26 . 1 1 6 6 LEU HB2 H 1 1.743 0.003 . 1 . . . . 6 LEU HB2 . 15708 2
27 . 1 1 6 6 LEU HB3 H 1 1.743 0.003 . 1 . . . . 6 LEU HB3 . 15708 2
28 . 1 1 6 6 LEU HD11 H 1 0.896 0.003 . 2 . . . . 6 LEU HD11 . 15708 2
29 . 1 1 6 6 LEU HD12 H 1 0.896 0.003 . 2 . . . . 6 LEU HD12 . 15708 2
30 . 1 1 6 6 LEU HD13 H 1 0.896 0.003 . 2 . . . . 6 LEU HD13 . 15708 2
31 . 1 1 6 6 LEU HD21 H 1 0.839 0.003 . 2 . . . . 6 LEU HD21 . 15708 2
32 . 1 1 6 6 LEU HD22 H 1 0.839 0.003 . 2 . . . . 6 LEU HD22 . 15708 2
33 . 1 1 6 6 LEU HD23 H 1 0.839 0.003 . 2 . . . . 6 LEU HD23 . 15708 2
34 . 1 1 6 6 LEU HG H 1 1.670 0.009 . 1 . . . . 6 LEU HG . 15708 2
35 . 1 1 7 7 LEU H H 1 8.011 0.003 . 1 . . . . 7 LEU H . 15708 2
36 . 1 1 7 7 LEU HA H 1 3.913 0.003 . 1 . . . . 7 LEU HA . 15708 2
37 . 1 1 7 7 LEU HB2 H 1 1.755 0.003 . 1 . . . . 7 LEU HB2 . 15708 2
38 . 1 1 7 7 LEU HB3 H 1 1.755 0.003 . 1 . . . . 7 LEU HB3 . 15708 2
39 . 1 1 7 7 LEU HD11 H 1 0.850 0.003 . 1 . . . . 7 LEU QD1 . 15708 2
40 . 1 1 7 7 LEU HD12 H 1 0.850 0.003 . 1 . . . . 7 LEU QD1 . 15708 2
41 . 1 1 7 7 LEU HD13 H 1 0.850 0.003 . 1 . . . . 7 LEU QD1 . 15708 2
42 . 1 1 7 7 LEU HD21 H 1 0.850 0.003 . 1 . . . . 7 LEU QD2 . 15708 2
43 . 1 1 7 7 LEU HD22 H 1 0.850 0.003 . 1 . . . . 7 LEU QD2 . 15708 2
44 . 1 1 7 7 LEU HD23 H 1 0.850 0.003 . 1 . . . . 7 LEU QD2 . 15708 2
45 . 1 1 7 7 LEU HG H 1 1.580 0.007 . 1 . . . . 7 LEU HG . 15708 2
46 . 1 1 8 8 ALA H H 1 7.522 0.003 . 1 . . . . 8 ALA H . 15708 2
47 . 1 1 8 8 ALA HA H 1 4.031 0.003 . 1 . . . . 8 ALA HA . 15708 2
48 . 1 1 8 8 ALA HB1 H 1 1.440 0.003 . 1 . . . . 8 ALA HB1 . 15708 2
49 . 1 1 8 8 ALA HB2 H 1 1.440 0.003 . 1 . . . . 8 ALA HB2 . 15708 2
50 . 1 1 8 8 ALA HB3 H 1 1.440 0.003 . 1 . . . . 8 ALA HB3 . 15708 2
51 . 1 1 9 9 LEU H H 1 7.398 0.002 . 1 . . . . 9 LEU H . 15708 2
52 . 1 1 9 9 LEU HA H 1 4.092 0.003 . 1 . . . . 9 LEU HA . 15708 2
53 . 1 1 9 9 LEU HB2 H 1 1.889 0.003 . 1 . . . . 9 LEU HB2 . 15708 2
54 . 1 1 9 9 LEU HB3 H 1 1.889 0.003 . 1 . . . . 9 LEU HB3 . 15708 2
55 . 1 1 9 9 LEU HD11 H 1 0.829 0.003 . 1 . . . . 9 LEU QD1 . 15708 2
56 . 1 1 9 9 LEU HD12 H 1 0.829 0.003 . 1 . . . . 9 LEU QD1 . 15708 2
57 . 1 1 9 9 LEU HD13 H 1 0.829 0.003 . 1 . . . . 9 LEU QD1 . 15708 2
58 . 1 1 9 9 LEU HD21 H 1 0.829 0.003 . 1 . . . . 9 LEU QD2 . 15708 2
59 . 1 1 9 9 LEU HD22 H 1 0.829 0.003 . 1 . . . . 9 LEU QD2 . 15708 2
60 . 1 1 9 9 LEU HD23 H 1 0.829 0.003 . 1 . . . . 9 LEU QD2 . 15708 2
61 . 1 1 9 9 LEU HG H 1 1.470 0.014 . 1 . . . . 9 LEU HG . 15708 2
62 . 1 1 10 10 LEU H H 1 7.428 0.005 . 1 . . . . 10 LEU H . 15708 2
63 . 1 1 10 10 LEU HA H 1 4.192 0.003 . 1 . . . . 10 LEU HA . 15708 2
64 . 1 1 10 10 LEU HB2 H 1 1.720 0.003 . 1 . . . . 10 LEU HB2 . 15708 2
65 . 1 1 10 10 LEU HB3 H 1 1.720 0.003 . 1 . . . . 10 LEU HB3 . 15708 2
66 . 1 1 10 10 LEU HD11 H 1 0.830 0.035 . 2 . . . . 10 LEU HD11 . 15708 2
67 . 1 1 10 10 LEU HD12 H 1 0.830 0.035 . 2 . . . . 10 LEU HD12 . 15708 2
68 . 1 1 10 10 LEU HD13 H 1 0.830 0.035 . 2 . . . . 10 LEU HD13 . 15708 2
69 . 1 1 10 10 LEU HD21 H 1 0.790 0.029 . 2 . . . . 10 LEU HD21 . 15708 2
70 . 1 1 10 10 LEU HD22 H 1 0.790 0.029 . 2 . . . . 10 LEU HD22 . 15708 2
71 . 1 1 10 10 LEU HD23 H 1 0.790 0.029 . 2 . . . . 10 LEU HD23 . 15708 2
72 . 1 1 10 10 LEU HG H 1 1.558 0.010 . 1 . . . . 10 LEU HG . 15708 2
73 . 1 1 11 11 LEU H H 1 7.496 0.001 . 1 . . . . 11 LEU H . 15708 2
74 . 1 1 11 11 LEU HA H 1 4.513 0.003 . 1 . . . . 11 LEU HA . 15708 2
75 . 1 1 11 11 LEU HB2 H 1 1.654 0.002 . 1 . . . . 11 LEU HB2 . 15708 2
76 . 1 1 11 11 LEU HB3 H 1 1.654 0.002 . 1 . . . . 11 LEU HB3 . 15708 2
77 . 1 1 11 11 LEU HD11 H 1 0.870 0.003 . 1 . . . . 11 LEU QD1 . 15708 2
78 . 1 1 11 11 LEU HD12 H 1 0.870 0.003 . 1 . . . . 11 LEU QD1 . 15708 2
79 . 1 1 11 11 LEU HD13 H 1 0.870 0.003 . 1 . . . . 11 LEU QD1 . 15708 2
80 . 1 1 11 11 LEU HD21 H 1 0.870 0.003 . 1 . . . . 11 LEU QD2 . 15708 2
81 . 1 1 11 11 LEU HD22 H 1 0.870 0.003 . 1 . . . . 11 LEU QD2 . 15708 2
82 . 1 1 11 11 LEU HD23 H 1 0.870 0.003 . 1 . . . . 11 LEU QD2 . 15708 2
83 . 1 1 11 11 LEU HG H 1 1.505 0.003 . 1 . . . . 11 LEU HG . 15708 2
84 . 1 1 12 12 PRO HB2 H 1 2.290 0.003 . 2 . . . . 12 PRO HB2 . 15708 2
85 . 1 1 12 12 PRO HB3 H 1 1.860 0.003 . 2 . . . . 12 PRO HB3 . 15708 2
86 . 1 1 12 12 PRO HD2 H 1 3.540 0.003 . 2 . . . . 12 PRO HD2 . 15708 2
87 . 1 1 12 12 PRO HD3 H 1 3.690 0.003 . 2 . . . . 12 PRO HD3 . 15708 2
88 . 1 1 13 13 LYS H H 1 8.350 0.002 . 1 . . . . 13 LYS H . 15708 2
89 . 1 1 13 13 LYS HA H 1 4.300 0.003 . 1 . . . . 13 LYS HA . 15708 2
90 . 1 1 13 13 LYS HB2 H 1 1.700 0.001 . 1 . . . . 13 LYS HB2 . 15708 2
91 . 1 1 13 13 LYS HB3 H 1 1.700 0.001 . 1 . . . . 13 LYS HB3 . 15708 2
92 . 1 1 13 13 LYS HD2 H 1 1.780 0.003 . 1 . . . . 13 LYS HD2 . 15708 2
93 . 1 1 13 13 LYS HD3 H 1 1.780 0.003 . 1 . . . . 13 LYS HD3 . 15708 2
94 . 1 1 13 13 LYS HE2 H 1 2.960 0.003 . 1 . . . . 13 LYS HE2 . 15708 2
95 . 1 1 13 13 LYS HE3 H 1 2.960 0.003 . 1 . . . . 13 LYS HE3 . 15708 2
96 . 1 1 13 13 LYS HG2 H 1 1.420 0.003 . 1 . . . . 13 LYS HG2 . 15708 2
97 . 1 1 13 13 LYS HG3 H 1 1.420 0.003 . 1 . . . . 13 LYS HG3 . 15708 2
98 . 1 1 14 14 SER H H 1 8.300 0.003 . 1 . . . . 14 SER H . 15708 2
99 . 1 1 14 14 SER HA H 1 4.680 0.003 . 1 . . . . 14 SER HA . 15708 2
100 . 1 1 14 14 SER HB2 H 1 3.808 0.003 . 1 . . . . 14 SER HB2 . 15708 2
101 . 1 1 14 14 SER HB3 H 1 3.808 0.003 . 1 . . . . 14 SER HB3 . 15708 2
102 . 1 1 15 15 PRO HA H 1 4.402 0.003 . 1 . . . . 15 PRO HA . 15708 2
103 . 1 1 15 15 PRO HB2 H 1 2.240 0.003 . 2 . . . . 15 PRO HB2 . 15708 2
104 . 1 1 15 15 PRO HB3 H 1 1.880 0.003 . 2 . . . . 15 PRO HB3 . 15708 2
105 . 1 1 15 15 PRO HD2 H 1 3.690 0.003 . 2 . . . . 15 PRO HD2 . 15708 2
106 . 1 1 15 15 PRO HD3 H 1 3.790 0.003 . 2 . . . . 15 PRO HD3 . 15708 2
107 . 1 1 15 15 PRO HG2 H 1 1.970 0.003 . 1 . . . . 15 PRO HG2 . 15708 2
108 . 1 1 15 15 PRO HG3 H 1 1.970 0.003 . 1 . . . . 15 PRO HG3 . 15708 2
109 . 1 1 16 16 GLN H H 1 8.364 0.005 . 1 . . . . 16 GLN H . 15708 2
110 . 1 1 16 16 GLN HA H 1 4.269 0.003 . 1 . . . . 16 GLN HA . 15708 2
111 . 1 1 16 16 GLN HB2 H 1 2.080 0.009 . 2 . . . . 16 GLN HB2 . 15708 2
112 . 1 1 16 16 GLN HB3 H 1 1.941 0.013 . 2 . . . . 16 GLN HB3 . 15708 2
113 . 1 1 16 16 GLN HE21 H 1 7.450 0.003 . 2 . . . . 16 GLN HE21 . 15708 2
114 . 1 1 16 16 GLN HE22 H 1 6.780 0.003 . 2 . . . . 16 GLN HE22 . 15708 2
115 . 1 1 16 16 GLN HG2 H 1 2.330 0.003 . 1 . . . . 16 GLN HG2 . 15708 2
116 . 1 1 16 16 GLN HG3 H 1 2.330 0.003 . 1 . . . . 16 GLN HG3 . 15708 2
117 . 1 1 17 17 GLY H H 1 8.272 0.004 . 1 . . . . 17 GLY H . 15708 2
118 . 1 1 17 17 GLY HA2 H 1 3.905 0.001 . 1 . . . . 17 GLY HA2 . 15708 2
119 . 1 1 17 17 GLY HA3 H 1 3.905 0.001 . 1 . . . . 17 GLY HA3 . 15708 2
120 . 1 1 18 18 GLU H H 1 8.220 0.002 . 1 . . . . 18 GLU H . 15708 2
121 . 1 1 18 18 GLU HA H 1 4.255 0.001 . 1 . . . . 18 GLU HA . 15708 2
122 . 1 1 18 18 GLU HB2 H 1 2.006 0.003 . 2 . . . . 18 GLU HB2 . 15708 2
123 . 1 1 18 18 GLU HB3 H 1 1.880 0.003 . 2 . . . . 18 GLU HB3 . 15708 2
124 . 1 1 18 18 GLU HG2 H 1 2.240 0.002 . 1 . . . . 18 GLU HG2 . 15708 2
125 . 1 1 18 18 GLU HG3 H 1 2.240 0.002 . 1 . . . . 18 GLU HG3 . 15708 2
126 . 1 1 19 19 ASN H H 1 8.450 0.008 . 1 . . . . 19 ASN H . 15708 2
127 . 1 1 19 19 ASN HA H 1 4.640 0.002 . 1 . . . . 19 ASN HA . 15708 2
128 . 1 1 19 19 ASN HB2 H 1 2.791 0.003 . 2 . . . . 19 ASN HB2 . 15708 2
129 . 1 1 19 19 ASN HB3 H 1 2.710 0.003 . 2 . . . . 19 ASN HB3 . 15708 2
130 . 1 1 19 19 ASN HD21 H 1 7.530 0.003 . 2 . . . . 19 ASN HD21 . 15708 2
131 . 1 1 19 19 ASN HD22 H 1 6.860 0.003 . 2 . . . . 19 ASN HD22 . 15708 2
132 . 1 1 20 20 ARG H H 1 8.260 0.001 . 1 . . . . 20 ARG H . 15708 2
133 . 1 1 20 20 ARG HA H 1 4.310 0.001 . 1 . . . . 20 ARG HA . 15708 2
134 . 1 1 20 20 ARG HB2 H 1 1.848 0.003 . 2 . . . . 20 ARG HB2 . 15708 2
135 . 1 1 20 20 ARG HB3 H 1 1.710 0.003 . 2 . . . . 20 ARG HB3 . 15708 2
136 . 1 1 20 20 ARG HD2 H 1 3.137 0.009 . 1 . . . . 20 ARG HD2 . 15708 2
137 . 1 1 20 20 ARG HD3 H 1 3.137 0.009 . 1 . . . . 20 ARG HD3 . 15708 2
138 . 1 1 20 20 ARG HG2 H 1 1.580 0.004 . 1 . . . . 20 ARG HG2 . 15708 2
139 . 1 1 20 20 ARG HG3 H 1 1.580 0.004 . 1 . . . . 20 ARG HG3 . 15708 2
140 . 1 1 21 21 SER H H 1 8.216 0.002 . 1 . . . . 21 SER H . 15708 2
141 . 1 1 21 21 SER HA H 1 4.369 0.003 . 1 . . . . 21 SER HA . 15708 2
142 . 1 1 21 21 SER HB2 H 1 3.800 0.003 . 1 . . . . 21 SER HB2 . 15708 2
143 . 1 1 21 21 SER HB3 H 1 3.800 0.003 . 1 . . . . 21 SER HB3 . 15708 2
144 . 1 1 22 22 LYS H H 1 8.101 0.002 . 1 . . . . 22 LYS H . 15708 2
145 . 1 1 22 22 LYS HA H 1 4.570 0.003 . 1 . . . . 22 LYS HA . 15708 2
146 . 1 1 22 22 LYS HB2 H 1 1.650 0.003 . 1 . . . . 22 LYS HB2 . 15708 2
147 . 1 1 22 22 LYS HB3 H 1 1.650 0.003 . 1 . . . . 22 LYS HB3 . 15708 2
148 . 1 1 22 22 LYS HD2 H 1 1.410 0.003 . 1 . . . . 22 LYS HD2 . 15708 2
149 . 1 1 22 22 LYS HD3 H 1 1.410 0.003 . 1 . . . . 22 LYS HD3 . 15708 2
150 . 1 1 22 22 LYS HE2 H 1 2.950 0.003 . 1 . . . . 22 LYS HE2 . 15708 2
151 . 1 1 22 22 LYS HE3 H 1 2.950 0.003 . 1 . . . . 22 LYS HE3 . 15708 2
152 . 1 1 22 22 LYS HG2 H 1 1.760 0.003 . 1 . . . . 22 LYS HG2 . 15708 2
153 . 1 1 22 22 LYS HG3 H 1 1.760 0.003 . 1 . . . . 22 LYS HG3 . 15708 2
154 . 1 1 23 23 PRO HA H 1 4.400 0.003 . 1 . . . . 23 PRO HA . 15708 2
155 . 1 1 23 23 PRO HB2 H 1 2.270 0.003 . 1 . . . . 23 PRO HB2 . 15708 2
156 . 1 1 23 23 PRO HB3 H 1 2.270 0.003 . 1 . . . . 23 PRO HB3 . 15708 2
157 . 1 1 23 23 PRO HD2 H 1 3.550 0.003 . 1 . . . . 23 PRO HD2 . 15708 2
158 . 1 1 23 23 PRO HD3 H 1 3.550 0.003 . 1 . . . . 23 PRO HD3 . 15708 2
159 . 1 1 23 23 PRO HG2 H 1 1.980 0.003 . 1 . . . . 23 PRO HG2 . 15708 2
160 . 1 1 23 23 PRO HG3 H 1 1.980 0.003 . 1 . . . . 23 PRO HG3 . 15708 2
161 . 1 1 24 24 LEU H H 1 8.340 0.003 . 1 . . . . 24 LEU H . 15708 2
162 . 1 1 24 24 LEU HA H 1 4.264 0.003 . 1 . . . . 24 LEU HA . 15708 2
163 . 1 1 24 24 LEU HB2 H 1 1.629 0.003 . 1 . . . . 24 LEU HB2 . 15708 2
164 . 1 1 24 24 LEU HB3 H 1 1.629 0.003 . 1 . . . . 24 LEU HB3 . 15708 2
165 . 1 1 24 24 LEU HD11 H 1 0.860 0.003 . 1 . . . . 24 LEU QD1 . 15708 2
166 . 1 1 24 24 LEU HD12 H 1 0.860 0.003 . 1 . . . . 24 LEU QD1 . 15708 2
167 . 1 1 24 24 LEU HD13 H 1 0.860 0.003 . 1 . . . . 24 LEU QD1 . 15708 2
168 . 1 1 24 24 LEU HD21 H 1 0.860 0.003 . 1 . . . . 24 LEU QD2 . 15708 2
169 . 1 1 24 24 LEU HD22 H 1 0.860 0.003 . 1 . . . . 24 LEU QD2 . 15708 2
170 . 1 1 24 24 LEU HD23 H 1 0.860 0.003 . 1 . . . . 24 LEU QD2 . 15708 2
171 . 1 1 24 24 LEU HG H 1 1.546 0.003 . 1 . . . . 24 LEU HG . 15708 2
172 . 1 1 25 25 GLY H H 1 8.271 0.002 . 1 . . . . 25 GLY H . 15708 2
173 . 1 1 25 25 GLY HA2 H 1 3.918 0.003 . 1 . . . . 25 GLY HA2 . 15708 2
174 . 1 1 25 25 GLY HA3 H 1 3.918 0.003 . 1 . . . . 25 GLY HA3 . 15708 2
175 . 1 1 26 26 THR H H 1 7.941 0.002 . 1 . . . . 26 THR H . 15708 2
176 . 1 1 26 26 THR HA H 1 4.533 0.003 . 1 . . . . 26 THR HA . 15708 2
177 . 1 1 26 26 THR HB H 1 4.080 0.003 . 1 . . . . 26 THR HB . 15708 2
178 . 1 1 26 26 THR HG21 H 1 1.144 0.003 . 1 . . . . 26 THR HG21 . 15708 2
179 . 1 1 26 26 THR HG22 H 1 1.144 0.003 . 1 . . . . 26 THR HG22 . 15708 2
180 . 1 1 26 26 THR HG23 H 1 1.144 0.003 . 1 . . . . 26 THR HG23 . 15708 2
181 . 1 1 27 27 PRO HB2 H 1 2.470 0.003 . 2 . . . . 27 PRO HB2 . 15708 2
182 . 1 1 27 27 PRO HB3 H 1 2.140 0.003 . 2 . . . . 27 PRO HB3 . 15708 2
183 . 1 1 27 27 PRO HD2 H 1 3.750 0.003 . 2 . . . . 27 PRO HD2 . 15708 2
184 . 1 1 27 27 PRO HD3 H 1 3.570 0.003 . 2 . . . . 27 PRO HD3 . 15708 2
185 . 1 1 27 27 PRO HG2 H 1 1.960 0.003 . 2 . . . . 27 PRO HG2 . 15708 2
186 . 1 1 27 27 PRO HG3 H 1 1.820 0.003 . 2 . . . . 27 PRO HG3 . 15708 2
187 . 1 1 28 28 TYR H H 1 7.910 0.012 . 1 . . . . 28 TYR H . 15708 2
188 . 1 1 28 28 TYR HA H 1 4.342 0.003 . 1 . . . . 28 TYR HA . 15708 2
189 . 1 1 28 28 TYR HB2 H 1 2.788 0.004 . 1 . . . . 28 TYR HB2 . 15708 2
190 . 1 1 28 28 TYR HB3 H 1 2.788 0.004 . 1 . . . . 28 TYR HB3 . 15708 2
191 . 1 1 28 28 TYR HD1 H 1 6.918 0.004 . 1 . . . . 28 TYR HD1 . 15708 2
192 . 1 1 28 28 TYR HD2 H 1 6.918 0.004 . 1 . . . . 28 TYR HD2 . 15708 2
193 . 1 1 28 28 TYR HE1 H 1 6.714 0.003 . 1 . . . . 28 TYR HE1 . 15708 2
194 . 1 1 28 28 TYR HE2 H 1 6.714 0.003 . 1 . . . . 28 TYR HE2 . 15708 2
195 . 1 1 29 29 ASN H H 1 8.080 0.010 . 1 . . . . 29 ASN H . 15708 2
196 . 1 1 29 29 ASN HA H 1 4.610 0.004 . 1 . . . . 29 ASN HA . 15708 2
197 . 1 1 29 29 ASN HB2 H 1 2.708 0.008 . 2 . . . . 29 ASN HB2 . 15708 2
198 . 1 1 29 29 ASN HB3 H 1 2.589 0.004 . 2 . . . . 29 ASN HB3 . 15708 2
199 . 1 1 29 29 ASN HD21 H 1 7.480 0.003 . 2 . . . . 29 ASN HD21 . 15708 2
200 . 1 1 29 29 ASN HD22 H 1 6.790 0.003 . 2 . . . . 29 ASN HD22 . 15708 2
201 . 1 1 30 30 PHE H H 1 8.210 0.044 . 1 . . . . 30 PHE H . 15708 2
202 . 1 1 30 30 PHE HA H 1 4.440 0.003 . 1 . . . . 30 PHE HA . 15708 2
203 . 1 1 30 30 PHE HB2 H 1 3.130 0.003 . 2 . . . . 30 PHE HB2 . 15708 2
204 . 1 1 30 30 PHE HB3 H 1 3.050 0.003 . 2 . . . . 30 PHE HB3 . 15708 2
205 . 1 1 30 30 PHE HD1 H 1 7.240 0.003 . 1 . . . . 30 PHE HD1 . 15708 2
206 . 1 1 30 30 PHE HD2 H 1 7.240 0.003 . 1 . . . . 30 PHE HD2 . 15708 2
207 . 1 1 30 30 PHE HE1 H 1 7.140 0.003 . 1 . . . . 30 PHE HE1 . 15708 2
208 . 1 1 30 30 PHE HE2 H 1 7.140 0.003 . 1 . . . . 30 PHE HE2 . 15708 2
209 . 1 1 31 31 SER H H 1 8.071 0.007 . 1 . . . . 31 SER H . 15708 2
210 . 1 1 31 31 SER HA H 1 4.391 0.001 . 1 . . . . 31 SER HA . 15708 2
211 . 1 1 31 31 SER HB2 H 1 3.813 0.003 . 1 . . . . 31 SER HB2 . 15708 2
212 . 1 1 31 31 SER HB3 H 1 3.813 0.003 . 1 . . . . 31 SER HB3 . 15708 2
213 . 1 1 32 32 GLU H H 1 8.080 0.025 . 1 . . . . 32 GLU H . 15708 2
214 . 1 1 32 32 GLU HA H 1 4.160 0.131 . 1 . . . . 32 GLU HA . 15708 2
215 . 1 1 32 32 GLU HB2 H 1 1.940 0.019 . 2 . . . . 32 GLU HB2 . 15708 2
216 . 1 1 32 32 GLU HB3 H 1 1.850 0.001 . 2 . . . . 32 GLU HB3 . 15708 2
217 . 1 1 32 32 GLU HG2 H 1 2.210 0.012 . 1 . . . . 32 GLU HG2 . 15708 2
218 . 1 1 32 32 GLU HG3 H 1 2.210 0.012 . 1 . . . . 32 GLU HG3 . 15708 2
219 . 1 1 33 33 HIS H H 1 8.240 0.050 . 1 . . . . 33 HIS H . 15708 2
220 . 1 1 33 33 HIS HA H 1 4.590 0.168 . 1 . . . . 33 HIS HA . 15708 2
221 . 1 1 33 33 HIS HB2 H 1 3.280 0.020 . 2 . . . . 33 HIS HB2 . 15708 2
222 . 1 1 33 33 HIS HB3 H 1 3.090 0.008 . 2 . . . . 33 HIS HB3 . 15708 2
223 . 1 1 34 34 CYS H H 1 8.200 0.106 . 1 . . . . 34 CYS H . 15708 2
224 . 1 1 34 34 CYS HA H 1 4.390 0.137 . 1 . . . . 34 CYS HA . 15708 2
225 . 1 1 34 34 CYS HB2 H 1 2.855 0.003 . 1 . . . . 34 CYS HB2 . 15708 2
226 . 1 1 34 34 CYS HB3 H 1 2.855 0.003 . 1 . . . . 34 CYS HB3 . 15708 2
227 . 1 1 35 35 GLN H H 1 8.430 0.031 . 1 . . . . 35 GLN H . 15708 2
228 . 1 1 35 35 GLN HA H 1 4.250 0.031 . 1 . . . . 35 GLN HA . 15708 2
229 . 1 1 35 35 GLN HB2 H 1 2.080 0.013 . 2 . . . . 35 GLN HB2 . 15708 2
230 . 1 1 35 35 GLN HB3 H 1 1.960 0.009 . 2 . . . . 35 GLN HB3 . 15708 2
231 . 1 1 35 35 GLN HE21 H 1 7.430 0.003 . 2 . . . . 35 GLN HE21 . 15708 2
232 . 1 1 35 35 GLN HE22 H 1 6.760 0.003 . 2 . . . . 35 GLN HE22 . 15708 2
233 . 1 1 35 35 GLN HG2 H 1 2.310 0.008 . 1 . . . . 35 GLN HG2 . 15708 2
234 . 1 1 35 35 GLN HG3 H 1 2.310 0.008 . 1 . . . . 35 GLN HG3 . 15708 2
235 . 1 1 36 36 ASP H H 1 8.250 0.037 . 1 . . . . 36 ASP H . 15708 2
236 . 1 1 36 36 ASP HA H 1 4.640 0.165 . 1 . . . . 36 ASP HA . 15708 2
237 . 1 1 36 36 ASP HB2 H 1 2.760 0.022 . 2 . . . . 36 ASP HB2 . 15708 2
238 . 1 1 36 36 ASP HB3 H 1 2.640 0.007 . 2 . . . . 36 ASP HB3 . 15708 2
239 . 1 1 37 37 SER H H 1 8.130 0.010 . 1 . . . . 37 SER H . 15708 2
240 . 1 1 37 37 SER HA H 1 4.420 0.092 . 1 . . . . 37 SER HA . 15708 2
241 . 1 1 37 37 SER HB2 H 1 3.795 0.005 . 1 . . . . 37 SER HB2 . 15708 2
242 . 1 1 37 37 SER HB3 H 1 3.795 0.005 . 1 . . . . 37 SER HB3 . 15708 2
243 . 1 1 38 38 VAL H H 1 8.005 0.002 . 1 . . . . 38 VAL H . 15708 2
244 . 1 1 38 38 VAL HA H 1 4.109 0.002 . 1 . . . . 38 VAL HA . 15708 2
245 . 1 1 38 38 VAL HB H 1 2.060 0.003 . 1 . . . . 38 VAL HB . 15708 2
246 . 1 1 38 38 VAL HG11 H 1 0.860 0.003 . 1 . . . . 38 VAL QG1 . 15708 2
247 . 1 1 38 38 VAL HG12 H 1 0.860 0.003 . 1 . . . . 38 VAL QG1 . 15708 2
248 . 1 1 38 38 VAL HG13 H 1 0.860 0.003 . 1 . . . . 38 VAL QG1 . 15708 2
249 . 1 1 38 38 VAL HG21 H 1 0.860 0.003 . 1 . . . . 38 VAL QG2 . 15708 2
250 . 1 1 38 38 VAL HG22 H 1 0.860 0.003 . 1 . . . . 38 VAL QG2 . 15708 2
251 . 1 1 38 38 VAL HG23 H 1 0.860 0.003 . 1 . . . . 38 VAL QG2 . 15708 2
252 . 1 1 39 39 ASP H H 1 8.273 0.001 . 1 . . . . 39 ASP H . 15708 2
253 . 1 1 39 39 ASP HA H 1 4.260 0.002 . 1 . . . . 39 ASP HA . 15708 2
254 . 1 1 39 39 ASP HB2 H 1 2.740 0.003 . 2 . . . . 39 ASP HB2 . 15708 2
255 . 1 1 39 39 ASP HB3 H 1 2.600 0.002 . 2 . . . . 39 ASP HB3 . 15708 2
256 . 1 1 40 40 VAL H H 1 7.940 1.274 . 1 . . . . 40 VAL H . 15708 2
257 . 1 1 40 40 VAL HA H 1 4.090 0.003 . 1 . . . . 40 VAL HA . 15708 2
258 . 1 1 40 40 VAL HB H 1 2.090 0.003 . 1 . . . . 40 VAL HB . 15708 2
259 . 1 1 40 40 VAL HG11 H 1 0.870 0.003 . 1 . . . . 40 VAL QG1 . 15708 2
260 . 1 1 40 40 VAL HG12 H 1 0.870 0.003 . 1 . . . . 40 VAL QG1 . 15708 2
261 . 1 1 40 40 VAL HG13 H 1 0.870 0.003 . 1 . . . . 40 VAL QG1 . 15708 2
262 . 1 1 40 40 VAL HG21 H 1 0.870 0.003 . 1 . . . . 40 VAL QG2 . 15708 2
263 . 1 1 40 40 VAL HG22 H 1 0.870 0.003 . 1 . . . . 40 VAL QG2 . 15708 2
264 . 1 1 40 40 VAL HG23 H 1 0.870 0.003 . 1 . . . . 40 VAL QG2 . 15708 2
265 . 1 1 41 41 MET H H 1 7.870 0.001 . 1 . . . . 41 MET H . 15708 2
266 . 1 1 41 41 MET HA H 1 4.260 0.003 . 1 . . . . 41 MET HA . 15708 2
267 . 1 1 41 41 MET HB2 H 1 1.943 0.003 . 1 . . . . 41 MET HB2 . 15708 2
268 . 1 1 41 41 MET HB3 H 1 1.943 0.003 . 1 . . . . 41 MET HB3 . 15708 2
269 . 1 1 41 41 MET HE1 H 1 2.040 0.003 . 1 . . . . 41 MET HE1 . 15708 2
270 . 1 1 41 41 MET HE2 H 1 2.040 0.003 . 1 . . . . 41 MET HE2 . 15708 2
271 . 1 1 41 41 MET HE3 H 1 2.040 0.003 . 1 . . . . 41 MET HE3 . 15708 2
stop_
save_