Content for NMR-STAR saveframe, "assigned_chem_shift_list"
save_assigned_chem_shift_list
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list
_Assigned_chem_shift_list.Entry_ID 25742
_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 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/5aaz/ebi/opt.nmr.data.csh'
_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 NOESY 1 $sample_1 solution 25742 1
2 TOCSY 1 $sample_1 solution 25742 1
3 DQF-COSY 1 $sample_1 solution 25742 1
4 HSQC 1 $sample_1 solution 25742 1
5 HNCACB 1 $sample_1 solution 25742 1
6 CBCACONH 1 $sample_1 solution 25742 1
7 HNCO 1 $sample_1 solution 25742 1
8 HNCACO 1 $sample_1 solution 25742 1
9 HNHB 1 $sample_1 solution 25742 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
3 $CNS . . 25742 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 3 3 ARG H H 1 8.150 0.01 . 1 . 1 . . 3 ARG H . 25742 1
2 . 1 1 3 3 ARG HA H 1 4.046 0.01 . 1 . 2 . . 3 ARG HA . 25742 1
3 . 1 1 3 3 ARG HB2 H 1 1.794 0.01 . 1 . 3 . . 3 ARG HB2 . 25742 1
4 . 1 1 3 3 ARG HB3 H 1 1.794 0.01 . 1 . 4 . . 3 ARG HB3 . 25742 1
5 . 1 1 3 3 ARG HG2 H 1 1.624 0.01 . 1 . 5 . . 3 ARG HG2 . 25742 1
6 . 1 1 3 3 ARG HG3 H 1 1.624 0.01 . 1 . 6 . . 3 ARG HG3 . 25742 1
7 . 1 1 3 3 ARG HD2 H 1 3.169 0.01 . 2 . 7 . . 3 ARG HD2 . 25742 1
8 . 1 1 3 3 ARG HD3 H 1 2.938 0.01 . 2 . 8 . . 3 ARG HD3 . 25742 1
9 . 1 1 4 4 ASN H H 1 8.399 0.01 . 1 . 9 . . 4 ASN H . 25742 1
10 . 1 1 4 4 ASN HA H 1 4.606 0.01 . 1 . 11 . . 4 ASN HA . 25742 1
11 . 1 1 4 4 ASN HB2 H 1 2.624 0.01 . 2 . 14 . . 4 ASN HB2 . 25742 1
12 . 1 1 4 4 ASN HB3 H 1 2.686 0.01 . 2 . 15 . . 4 ASN HB3 . 25742 1
13 . 1 1 4 4 ASN HD21 H 1 6.858 0.01 . 1 . 16 . . 4 ASN HD21 . 25742 1
14 . 1 1 4 4 ASN HD22 H 1 7.537 0.01 . 1 . 17 . . 4 ASN HD22 . 25742 1
15 . 1 1 4 4 ASN C C 13 172.640 0.10 . 1 . 12 . . 4 ASN C . 25742 1
16 . 1 1 4 4 ASN CA C 13 53.340 0.10 . 1 . 10 . . 4 ASN CA . 25742 1
17 . 1 1 4 4 ASN CB C 13 38.790 0.10 . 1 . 13 . . 4 ASN CB . 25742 1
18 . 1 1 5 5 ILE H H 1 8.023 0.01 . 1 . 19 . . 5 ILE H . 25742 1
19 . 1 1 5 5 ILE HA H 1 4.619 0.01 . 1 . 21 . . 5 ILE HA . 25742 1
20 . 1 1 5 5 ILE HB H 1 1.591 0.01 . 1 . 24 . . 5 ILE HB . 25742 1
21 . 1 1 5 5 ILE HG21 H 1 0.867 0.01 . 1 . 25 . . 5 ILE HG21 . 25742 1
22 . 1 1 5 5 ILE HG22 H 1 0.867 0.01 . 1 . 25 . . 5 ILE HG22 . 25742 1
23 . 1 1 5 5 ILE HG23 H 1 0.867 0.01 . 1 . 25 . . 5 ILE HG23 . 25742 1
24 . 1 1 5 5 ILE C C 13 172.390 0.10 . 1 . 22 . . 5 ILE C . 25742 1
25 . 1 1 5 5 ILE CA C 13 58.680 0.10 . 1 . 20 . . 5 ILE CA . 25742 1
26 . 1 1 5 5 ILE CB C 13 38.590 0.10 . 1 . 23 . . 5 ILE CB . 25742 1
27 . 1 1 5 5 ILE N N 15 122.760 0.10 . 1 . 18 . . 5 ILE N . 25742 1
28 . 1 1 6 6 PRO HA H 1 4.274 0.01 . 1 . 27 . . 6 PRO HA . 25742 1
29 . 1 1 6 6 PRO HB2 H 1 1.572 0.01 . 2 . 30 . . 6 PRO HB2 . 25742 1
30 . 1 1 6 6 PRO HB3 H 1 2.122 0.01 . 2 . 31 . . 6 PRO HB3 . 25742 1
31 . 1 1 6 6 PRO HG2 H 1 1.977 0.01 . 2 . 32 . . 6 PRO HG2 . 25742 1
32 . 1 1 6 6 PRO HG3 H 1 1.922 0.01 . 2 . 33 . . 6 PRO HG3 . 25742 1
33 . 1 1 6 6 PRO HD2 H 1 3.635 0.01 . 2 . 34 . . 6 PRO HD2 . 25742 1
34 . 1 1 6 6 PRO HD3 H 1 3.811 0.01 . 2 . 35 . . 6 PRO HD3 . 25742 1
35 . 1 1 6 6 PRO C C 13 173.990 0.10 . 1 . 28 . . 6 PRO C . 25742 1
36 . 1 1 6 6 PRO CA C 13 63.100 0.10 . 1 . 26 . . 6 PRO CA . 25742 1
37 . 1 1 6 6 PRO CB C 13 32.280 0.10 . 1 . 29 . . 6 PRO CB . 25742 1
38 . 1 1 7 7 ILE H H 1 7.938 0.01 . 1 . 37 . . 7 ILE H . 25742 1
39 . 1 1 7 7 ILE HA H 1 3.932 0.01 . 1 . 39 . . 7 ILE HA . 25742 1
40 . 1 1 7 7 ILE HB H 1 1.626 0.01 . 1 . 42 . . 7 ILE HB . 25742 1
41 . 1 1 7 7 ILE HG12 H 1 1.299 0.01 . 2 . 43 . . 7 ILE HG12 . 25742 1
42 . 1 1 7 7 ILE HG13 H 1 0.999 0.01 . 2 . 44 . . 7 ILE HG13 . 25742 1
43 . 1 1 7 7 ILE HG21 H 1 0.701 0.01 . 1 . 46 . . 7 ILE HG21 . 25742 1
44 . 1 1 7 7 ILE HG22 H 1 0.701 0.01 . 1 . 46 . . 7 ILE HG22 . 25742 1
45 . 1 1 7 7 ILE HG23 H 1 0.701 0.01 . 1 . 46 . . 7 ILE HG23 . 25742 1
46 . 1 1 7 7 ILE HD11 H 1 0.743 0.01 . 1 . 48 . . 7 ILE HD11 . 25742 1
47 . 1 1 7 7 ILE HD12 H 1 0.743 0.01 . 1 . 48 . . 7 ILE HD12 . 25742 1
48 . 1 1 7 7 ILE HD13 H 1 0.743 0.01 . 1 . 48 . . 7 ILE HD13 . 25742 1
49 . 1 1 7 7 ILE C C 13 173.940 0.10 . 1 . 40 . . 7 ILE C . 25742 1
50 . 1 1 7 7 ILE CA C 13 60.700 0.10 . 1 . 38 . . 7 ILE CA . 25742 1
51 . 1 1 7 7 ILE CB C 13 39.250 0.10 . 1 . 41 . . 7 ILE CB . 25742 1
52 . 1 1 7 7 ILE CG2 C 13 15.720 0.10 . 1 . 45 . . 7 ILE CG2 . 25742 1
53 . 1 1 7 7 ILE CD1 C 13 10.910 0.10 . 1 . 47 . . 7 ILE CD1 . 25742 1
54 . 1 1 7 7 ILE N N 15 120.240 0.10 . 1 . 36 . . 7 ILE N . 25742 1
55 . 1 1 8 8 HIS H H 1 8.462 0.01 . 1 . 50 . . 8 HIS H . 25742 1
56 . 1 1 8 8 HIS HA H 1 4.688 0.01 . 1 . 52 . . 8 HIS HA . 25742 1
57 . 1 1 8 8 HIS HB2 H 1 2.674 0.01 . 1 . 55 . . 8 HIS HB2 . 25742 1
58 . 1 1 8 8 HIS HB3 H 1 3.206 0.01 . 1 . 56 . . 8 HIS HB3 . 25742 1
59 . 1 1 8 8 HIS HD2 H 1 6.648 0.01 . 1 . 57 . . 8 HIS HD2 . 25742 1
60 . 1 1 8 8 HIS HE1 H 1 7.661 0.01 . 1 . 58 . . 8 HIS HE1 . 25742 1
61 . 1 1 8 8 HIS C C 13 171.730 0.10 . 1 . 53 . . 8 HIS C . 25742 1
62 . 1 1 8 8 HIS CA C 13 55.030 0.10 . 1 . 51 . . 8 HIS CA . 25742 1
63 . 1 1 8 8 HIS CB C 13 29.440 0.10 . 1 . 54 . . 8 HIS CB . 25742 1
64 . 1 1 8 8 HIS N N 15 125.820 0.10 . 1 . 49 . . 8 HIS N . 25742 1
65 . 1 1 9 9 SER H H 1 8.014 0.01 . 1 . 60 . . 9 SER H . 25742 1
66 . 1 1 9 9 SER HA H 1 5.257 0.01 . 1 . 62 . . 9 SER HA . 25742 1
67 . 1 1 9 9 SER HB2 H 1 3.420 0.01 . 1 . 65 . . 9 SER HB2 . 25742 1
68 . 1 1 9 9 SER HB3 H 1 3.420 0.01 . 1 . 66 . . 9 SER HB3 . 25742 1
69 . 1 1 9 9 SER C C 13 171.680 0.10 . 1 . 63 . . 9 SER C . 25742 1
70 . 1 1 9 9 SER CA C 13 55.570 0.10 . 1 . 61 . . 9 SER CA . 25742 1
71 . 1 1 9 9 SER CB C 13 65.600 0.10 . 1 . 64 . . 9 SER CB . 25742 1
72 . 1 1 9 9 SER N N 15 115.860 0.10 . 1 . 59 . . 9 SER N . 25742 1
73 . 1 1 10 10 CYS H H 1 8.950 0.01 . 1 . 68 . . 10 CYS H . 25742 1
74 . 1 1 10 10 CYS HA H 1 4.459 0.01 . 1 . 70 . . 10 CYS HA . 25742 1
75 . 1 1 10 10 CYS HB2 H 1 3.114 0.01 . 1 . 73 . . 10 CYS HB2 . 25742 1
76 . 1 1 10 10 CYS HB3 H 1 2.366 0.01 . 1 . 74 . . 10 CYS HB3 . 25742 1
77 . 1 1 10 10 CYS C C 13 174.890 0.10 . 1 . 71 . . 10 CYS C . 25742 1
78 . 1 1 10 10 CYS CA C 13 56.860 0.10 . 1 . 69 . . 10 CYS CA . 25742 1
79 . 1 1 10 10 CYS CB C 13 31.290 0.10 . 1 . 72 . . 10 CYS CB . 25742 1
80 . 1 1 10 10 CYS N N 15 127.290 0.10 . 1 . 67 . . 10 CYS N . 25742 1
81 . 1 1 11 11 PRO HA H 1 4.431 0.01 . 1 . 76 . . 11 PRO HA . 25742 1
82 . 1 1 11 11 PRO HB2 H 1 2.030 0.01 . 2 . 79 . . 11 PRO HB2 . 25742 1
83 . 1 1 11 11 PRO HB3 H 1 2.367 0.01 . 2 . 80 . . 11 PRO HB3 . 25742 1
84 . 1 1 11 11 PRO HG2 H 1 2.150 0.01 . 1 . 81 . . 11 PRO HG2 . 25742 1
85 . 1 1 11 11 PRO HG3 H 1 2.150 0.01 . 1 . 82 . . 11 PRO HG3 . 25742 1
86 . 1 1 11 11 PRO HD2 H 1 4.218 0.01 . 2 . 83 . . 11 PRO HD2 . 25742 1
87 . 1 1 11 11 PRO HD3 H 1 4.083 0.01 . 2 . 84 . . 11 PRO HD3 . 25742 1
88 . 1 1 11 11 PRO C C 13 174.810 0.10 . 1 . 77 . . 11 PRO C . 25742 1
89 . 1 1 11 11 PRO CA C 13 64.420 0.10 . 1 . 75 . . 11 PRO CA . 25742 1
90 . 1 1 11 11 PRO CB C 13 32.280 0.10 . 1 . 78 . . 11 PRO CB . 25742 1
91 . 1 1 12 12 LYS H H 1 9.291 0.01 . 1 . 86 . . 12 LYS H . 25742 1
92 . 1 1 12 12 LYS HA H 1 4.329 0.01 . 1 . 88 . . 12 LYS HA . 25742 1
93 . 1 1 12 12 LYS HB2 H 1 1.897 0.01 . 1 . 91 . . 12 LYS HB2 . 25742 1
94 . 1 1 12 12 LYS HB3 H 1 2.103 0.01 . 1 . 92 . . 12 LYS HB3 . 25742 1
95 . 1 1 12 12 LYS HG2 H 1 1.372 0.01 . 1 . 93 . . 12 LYS HG2 . 25742 1
96 . 1 1 12 12 LYS HG3 H 1 1.372 0.01 . 1 . 94 . . 12 LYS HG3 . 25742 1
97 . 1 1 12 12 LYS HD2 H 1 1.812 0.01 . 2 . 95 . . 12 LYS HD2 . 25742 1
98 . 1 1 12 12 LYS HD3 H 1 1.682 0.01 . 2 . 96 . . 12 LYS HD3 . 25742 1
99 . 1 1 12 12 LYS HE2 H 1 2.961 0.01 . 2 . 97 . . 12 LYS HE2 . 25742 1
100 . 1 1 12 12 LYS HE3 H 1 3.062 0.01 . 2 . 98 . . 12 LYS HE3 . 25742 1
101 . 1 1 12 12 LYS C C 13 175.500 0.10 . 1 . 89 . . 12 LYS C . 25742 1
102 . 1 1 12 12 LYS CA C 13 58.640 0.10 . 1 . 87 . . 12 LYS CA . 25742 1
103 . 1 1 12 12 LYS CB C 13 33.570 0.10 . 1 . 90 . . 12 LYS CB . 25742 1
104 . 1 1 12 12 LYS N N 15 121.770 0.10 . 1 . 85 . . 12 LYS N . 25742 1
105 . 1 1 13 13 CYS H H 1 8.550 0.01 . 1 . 100 . . 13 CYS H . 25742 1
106 . 1 1 13 13 CYS HA H 1 4.956 0.01 . 1 . 102 . . 13 CYS HA . 25742 1
107 . 1 1 13 13 CYS HB2 H 1 2.467 0.01 . 1 . 105 . . 13 CYS HB2 . 25742 1
108 . 1 1 13 13 CYS HB3 H 1 3.294 0.01 . 1 . 106 . . 13 CYS HB3 . 25742 1
109 . 1 1 13 13 CYS C C 13 175.210 0.10 . 1 . 103 . . 13 CYS C . 25742 1
110 . 1 1 13 13 CYS CA C 13 58.670 0.10 . 1 . 101 . . 13 CYS CA . 25742 1
111 . 1 1 13 13 CYS CB C 13 32.740 0.10 . 1 . 104 . . 13 CYS CB . 25742 1
112 . 1 1 13 13 CYS N N 15 117.130 0.10 . 1 . 99 . . 13 CYS N . 25742 1
113 . 1 1 14 14 GLY H H 1 7.961 0.01 . 1 . 108 . . 14 GLY H . 25742 1
114 . 1 1 14 14 GLY HA2 H 1 3.729 0.01 . 2 . 110 . . 14 GLY HA2 . 25742 1
115 . 1 1 14 14 GLY HA3 H 1 4.147 0.01 . 2 . 111 . . 14 GLY HA3 . 25742 1
116 . 1 1 14 14 GLY C C 13 171.850 0.10 . 1 . 112 . . 14 GLY C . 25742 1
117 . 1 1 14 14 GLY CA C 13 46.090 0.10 . 1 . 109 . . 14 GLY CA . 25742 1
118 . 1 1 14 14 GLY N N 15 112.980 0.10 . 1 . 107 . . 14 GLY N . 25742 1
119 . 1 1 15 15 GLU H H 1 8.654 0.01 . 1 . 114 . . 15 GLU H . 25742 1
120 . 1 1 15 15 GLU HA H 1 3.915 0.01 . 1 . 116 . . 15 GLU HA . 25742 1
121 . 1 1 15 15 GLU HB2 H 1 1.136 0.01 . 2 . 119 . . 15 GLU HB2 . 25742 1
122 . 1 1 15 15 GLU HB3 H 1 2.039 0.01 . 2 . 120 . . 15 GLU HB3 . 25742 1
123 . 1 1 15 15 GLU HG2 H 1 2.149 0.01 . 2 . 121 . . 15 GLU HG2 . 25742 1
124 . 1 1 15 15 GLU HG3 H 1 1.990 0.01 . 2 . 122 . . 15 GLU HG3 . 25742 1
125 . 1 1 15 15 GLU C C 13 172.940 0.10 . 1 . 117 . . 15 GLU C . 25742 1
126 . 1 1 15 15 GLU CA C 13 58.060 0.10 . 1 . 115 . . 15 GLU CA . 25742 1
127 . 1 1 15 15 GLU CB C 13 30.200 0.10 . 1 . 118 . . 15 GLU CB . 25742 1
128 . 1 1 15 15 GLU N N 15 125.070 0.10 . 1 . 113 . . 15 GLU N . 25742 1
129 . 1 1 16 16 VAL H H 1 8.348 0.01 . 1 . 124 . . 16 VAL H . 25742 1
130 . 1 1 16 16 VAL HA H 1 4.141 0.01 . 1 . 126 . . 16 VAL HA . 25742 1
131 . 1 1 16 16 VAL HB H 1 1.849 0.01 . 1 . 129 . . 16 VAL HB . 25742 1
132 . 1 1 16 16 VAL HG11 H 1 0.790 0.01 . 2 . 131 . . 16 VAL HG11 . 25742 1
133 . 1 1 16 16 VAL HG12 H 1 0.790 0.01 . 2 . 131 . . 16 VAL HG12 . 25742 1
134 . 1 1 16 16 VAL HG13 H 1 0.790 0.01 . 2 . 131 . . 16 VAL HG13 . 25742 1
135 . 1 1 16 16 VAL HG21 H 1 0.865 0.01 . 2 . 133 . . 16 VAL HG21 . 25742 1
136 . 1 1 16 16 VAL HG22 H 1 0.865 0.01 . 2 . 133 . . 16 VAL HG22 . 25742 1
137 . 1 1 16 16 VAL HG23 H 1 0.865 0.01 . 2 . 133 . . 16 VAL HG23 . 25742 1
138 . 1 1 16 16 VAL C C 13 174.010 0.10 . 1 . 127 . . 16 VAL C . 25742 1
139 . 1 1 16 16 VAL CA C 13 62.830 0.10 . 1 . 125 . . 16 VAL CA . 25742 1
140 . 1 1 16 16 VAL CB C 13 32.230 0.10 . 1 . 128 . . 16 VAL CB . 25742 1
141 . 1 1 16 16 VAL CG1 C 13 20.070 0.10 . 1 . 130 . . 16 VAL CG1 . 25742 1
142 . 1 1 16 16 VAL CG2 C 13 19.750 0.10 . 1 . 132 . . 16 VAL CG2 . 25742 1
143 . 1 1 16 16 VAL N N 15 124.460 0.10 . 1 . 123 . . 16 VAL N . 25742 1
144 . 1 1 17 17 LEU H H 1 8.694 0.01 . 1 . 135 . . 17 LEU H . 25742 1
145 . 1 1 17 17 LEU HA H 1 4.917 0.01 . 1 . 137 . . 17 LEU HA . 25742 1
146 . 1 1 17 17 LEU HB2 H 1 1.754 0.01 . 1 . 140 . . 17 LEU HB2 . 25742 1
147 . 1 1 17 17 LEU HB3 H 1 1.583 0.01 . 1 . 141 . . 17 LEU HB3 . 25742 1
148 . 1 1 17 17 LEU HG H 1 1.624 0.01 . 1 . 142 . . 17 LEU HG . 25742 1
149 . 1 1 17 17 LEU HD11 H 1 0.836 0.01 . 2 . 144 . . 17 LEU HD11 . 25742 1
150 . 1 1 17 17 LEU HD12 H 1 0.836 0.01 . 2 . 144 . . 17 LEU HD12 . 25742 1
151 . 1 1 17 17 LEU HD13 H 1 0.836 0.01 . 2 . 144 . . 17 LEU HD13 . 25742 1
152 . 1 1 17 17 LEU HD21 H 1 0.483 0.01 . 2 . 146 . . 17 LEU HD21 . 25742 1
153 . 1 1 17 17 LEU HD22 H 1 0.483 0.01 . 2 . 146 . . 17 LEU HD22 . 25742 1
154 . 1 1 17 17 LEU HD23 H 1 0.483 0.01 . 2 . 146 . . 17 LEU HD23 . 25742 1
155 . 1 1 17 17 LEU C C 13 174.230 0.10 . 1 . 138 . . 17 LEU C . 25742 1
156 . 1 1 17 17 LEU CA C 13 50.380 0.10 . 1 . 136 . . 17 LEU CA . 25742 1
157 . 1 1 17 17 LEU CB C 13 41.100 0.10 . 1 . 139 . . 17 LEU CB . 25742 1
158 . 1 1 17 17 LEU CD1 C 13 21.350 0.10 . 1 . 143 . . 17 LEU CD1 . 25742 1
159 . 1 1 17 17 LEU CD2 C 13 22.330 0.10 . 1 . 145 . . 17 LEU CD2 . 25742 1
160 . 1 1 17 17 LEU N N 15 132.310 0.10 . 1 . 134 . . 17 LEU N . 25742 1
161 . 1 1 18 18 PRO HA H 1 4.368 0.01 . 1 . 148 . . 18 PRO HA . 25742 1
162 . 1 1 18 18 PRO HB2 H 1 2.305 0.01 . 2 . 151 . . 18 PRO HB2 . 25742 1
163 . 1 1 18 18 PRO HB3 H 1 1.954 0.01 . 2 . 152 . . 18 PRO HB3 . 25742 1
164 . 1 1 18 18 PRO HG2 H 1 2.069 0.01 . 2 . 153 . . 18 PRO HG2 . 25742 1
165 . 1 1 18 18 PRO HG3 H 1 2.004 0.01 . 2 . 154 . . 18 PRO HG3 . 25742 1
166 . 1 1 18 18 PRO HD2 H 1 3.709 0.01 . 2 . 155 . . 18 PRO HD2 . 25742 1
167 . 1 1 18 18 PRO HD3 H 1 3.652 0.01 . 2 . 156 . . 18 PRO HD3 . 25742 1
168 . 1 1 18 18 PRO C C 13 174.390 0.10 . 1 . 149 . . 18 PRO C . 25742 1
169 . 1 1 18 18 PRO CA C 13 64.720 0.10 . 1 . 147 . . 18 PRO CA . 25742 1
170 . 1 1 18 18 PRO CB C 13 32.520 0.10 . 1 . 150 . . 18 PRO CB . 25742 1
171 . 1 1 19 19 ASP H H 1 7.103 0.01 . 1 . 158 . . 19 ASP H . 25742 1
172 . 1 1 19 19 ASP HA H 1 4.247 0.01 . 1 . 160 . . 19 ASP HA . 25742 1
173 . 1 1 19 19 ASP HB2 H 1 2.883 0.01 . 1 . 163 . . 19 ASP HB2 . 25742 1
174 . 1 1 19 19 ASP HB3 H 1 2.883 0.01 . 1 . 164 . . 19 ASP HB3 . 25742 1
175 . 1 1 19 19 ASP C C 13 172.670 0.10 . 1 . 161 . . 19 ASP C . 25742 1
176 . 1 1 19 19 ASP CA C 13 52.610 0.10 . 1 . 159 . . 19 ASP CA . 25742 1
177 . 1 1 19 19 ASP CB C 13 42.310 0.10 . 1 . 162 . . 19 ASP CB . 25742 1
178 . 1 1 19 19 ASP N N 15 111.370 0.10 . 1 . 157 . . 19 ASP N . 25742 1
179 . 1 1 20 20 ILE H H 1 8.088 0.01 . 1 . 166 . . 20 ILE H . 25742 1
180 . 1 1 20 20 ILE HA H 1 3.544 0.01 . 1 . 168 . . 20 ILE HA . 25742 1
181 . 1 1 20 20 ILE HB H 1 1.582 0.01 . 1 . 171 . . 20 ILE HB . 25742 1
182 . 1 1 20 20 ILE HG12 H 1 1.170 0.01 . 2 . 172 . . 20 ILE HG12 . 25742 1
183 . 1 1 20 20 ILE HG13 H 1 1.324 0.01 . 2 . 173 . . 20 ILE HG13 . 25742 1
184 . 1 1 20 20 ILE HG21 H 1 0.828 0.01 . 1 . 175 . . 20 ILE HG21 . 25742 1
185 . 1 1 20 20 ILE HG22 H 1 0.828 0.01 . 1 . 175 . . 20 ILE HG22 . 25742 1
186 . 1 1 20 20 ILE HG23 H 1 0.828 0.01 . 1 . 175 . . 20 ILE HG23 . 25742 1
187 . 1 1 20 20 ILE HD11 H 1 0.882 0.01 . 1 . 177 . . 20 ILE HD11 . 25742 1
188 . 1 1 20 20 ILE HD12 H 1 0.882 0.01 . 1 . 177 . . 20 ILE HD12 . 25742 1
189 . 1 1 20 20 ILE HD13 H 1 0.882 0.01 . 1 . 177 . . 20 ILE HD13 . 25742 1
190 . 1 1 20 20 ILE C C 13 174.750 0.10 . 1 . 169 . . 20 ILE C . 25742 1
191 . 1 1 20 20 ILE CA C 13 63.210 0.10 . 1 . 167 . . 20 ILE CA . 25742 1
192 . 1 1 20 20 ILE CB C 13 38.450 0.10 . 1 . 170 . . 20 ILE CB . 25742 1
193 . 1 1 20 20 ILE CG2 C 13 15.560 0.10 . 1 . 174 . . 20 ILE CG2 . 25742 1
194 . 1 1 20 20 ILE CD1 C 13 11.820 0.10 . 1 . 176 . . 20 ILE CD1 . 25742 1
195 . 1 1 20 20 ILE N N 15 117.790 0.10 . 1 . 165 . . 20 ILE N . 25742 1
196 . 1 1 21 21 ASP H H 1 7.916 0.01 . 1 . 179 . . 21 ASP H . 25742 1
197 . 1 1 21 21 ASP HA H 1 4.359 0.01 . 1 . 181 . . 21 ASP HA . 25742 1
198 . 1 1 21 21 ASP HB2 H 1 2.576 0.01 . 1 . 184 . . 21 ASP HB2 . 25742 1
199 . 1 1 21 21 ASP HB3 H 1 2.576 0.01 . 1 . 185 . . 21 ASP HB3 . 25742 1
200 . 1 1 21 21 ASP C C 13 177.280 0.10 . 1 . 182 . . 21 ASP C . 25742 1
201 . 1 1 21 21 ASP CA C 13 57.680 0.10 . 1 . 180 . . 21 ASP CA . 25742 1
202 . 1 1 21 21 ASP CB C 13 40.510 0.10 . 1 . 183 . . 21 ASP CB . 25742 1
203 . 1 1 21 21 ASP N N 15 122.870 0.10 . 1 . 178 . . 21 ASP N . 25742 1
204 . 1 1 22 22 THR H H 1 8.741 0.01 . 1 . 187 . . 22 THR H . 25742 1
205 . 1 1 22 22 THR HA H 1 3.913 0.01 . 1 . 189 . . 22 THR HA . 25742 1
206 . 1 1 22 22 THR HB H 1 3.915 0.01 . 1 . 192 . . 22 THR HB . 25742 1
207 . 1 1 22 22 THR HG21 H 1 1.357 0.01 . 1 . 194 . . 22 THR HG21 . 25742 1
208 . 1 1 22 22 THR HG22 H 1 1.357 0.01 . 1 . 194 . . 22 THR HG22 . 25742 1
209 . 1 1 22 22 THR HG23 H 1 1.357 0.01 . 1 . 194 . . 22 THR HG23 . 25742 1
210 . 1 1 22 22 THR C C 13 176.190 0.10 . 1 . 190 . . 22 THR C . 25742 1
211 . 1 1 22 22 THR CA C 13 66.340 0.10 . 1 . 188 . . 22 THR CA . 25742 1
212 . 1 1 22 22 THR CB C 13 68.430 0.10 . 1 . 191 . . 22 THR CB . 25742 1
213 . 1 1 22 22 THR CG2 C 13 21.070 0.10 . 1 . 193 . . 22 THR CG2 . 25742 1
214 . 1 1 22 22 THR N N 15 115.170 0.10 . 1 . 186 . . 22 THR N . 25742 1
215 . 1 1 23 23 LEU H H 1 7.951 0.01 . 1 . 196 . . 23 LEU H . 25742 1
216 . 1 1 23 23 LEU HA H 1 4.080 0.01 . 1 . 198 . . 23 LEU HA . 25742 1
217 . 1 1 23 23 LEU HB2 H 1 2.153 0.01 . 1 . 201 . . 23 LEU HB2 . 25742 1
218 . 1 1 23 23 LEU HB3 H 1 1.383 0.01 . 1 . 202 . . 23 LEU HB3 . 25742 1
219 . 1 1 23 23 LEU HG H 1 1.625 0.01 . 1 . 203 . . 23 LEU HG . 25742 1
220 . 1 1 23 23 LEU HD11 H 1 0.804 0.01 . 2 . 205 . . 23 LEU HD11 . 25742 1
221 . 1 1 23 23 LEU HD12 H 1 0.804 0.01 . 2 . 205 . . 23 LEU HD12 . 25742 1
222 . 1 1 23 23 LEU HD13 H 1 0.804 0.01 . 2 . 205 . . 23 LEU HD13 . 25742 1
223 . 1 1 23 23 LEU HD21 H 1 0.970 0.01 . 2 . 207 . . 23 LEU HD21 . 25742 1
224 . 1 1 23 23 LEU HD22 H 1 0.970 0.01 . 2 . 207 . . 23 LEU HD22 . 25742 1
225 . 1 1 23 23 LEU HD23 H 1 0.970 0.01 . 2 . 207 . . 23 LEU HD23 . 25742 1
226 . 1 1 23 23 LEU C C 13 175.300 0.10 . 1 . 199 . . 23 LEU C . 25742 1
227 . 1 1 23 23 LEU CA C 13 59.140 0.10 . 1 . 197 . . 23 LEU CA . 25742 1
228 . 1 1 23 23 LEU CB C 13 41.310 0.10 . 1 . 200 . . 23 LEU CB . 25742 1
229 . 1 1 23 23 LEU CD1 C 13 21.840 0.10 . 1 . 204 . . 23 LEU CD1 . 25742 1
230 . 1 1 23 23 LEU CD2 C 13 24.610 0.10 . 1 . 206 . . 23 LEU CD2 . 25742 1
231 . 1 1 23 23 LEU N N 15 123.840 0.10 . 1 . 195 . . 23 LEU N . 25742 1
232 . 1 1 24 24 GLN H H 1 8.138 0.01 . 1 . 209 . . 24 GLN H . 25742 1
233 . 1 1 24 24 GLN HA H 1 4.005 0.01 . 1 . 211 . . 24 GLN HA . 25742 1
234 . 1 1 24 24 GLN HB2 H 1 2.133 0.01 . 1 . 214 . . 24 GLN HB2 . 25742 1
235 . 1 1 24 24 GLN HB3 H 1 2.233 0.01 . 1 . 215 . . 24 GLN HB3 . 25742 1
236 . 1 1 24 24 GLN HG2 H 1 2.578 0.01 . 2 . 216 . . 24 GLN HG2 . 25742 1
237 . 1 1 24 24 GLN HG3 H 1 2.451 0.01 . 2 . 217 . . 24 GLN HG3 . 25742 1
238 . 1 1 24 24 GLN HE21 H 1 6.865 0.01 . 1 . 218 . . 24 GLN HE21 . 25742 1
239 . 1 1 24 24 GLN HE22 H 1 7.248 0.01 . 1 . 219 . . 24 GLN HE22 . 25742 1
240 . 1 1 24 24 GLN C C 13 176.840 0.10 . 1 . 212 . . 24 GLN C . 25742 1
241 . 1 1 24 24 GLN CA C 13 59.390 0.10 . 1 . 210 . . 24 GLN CA . 25742 1
242 . 1 1 24 24 GLN CB C 13 28.050 0.10 . 1 . 213 . . 24 GLN CB . 25742 1
243 . 1 1 24 24 GLN N N 15 117.160 0.10 . 1 . 208 . . 24 GLN N . 25742 1
244 . 1 1 25 25 ILE H H 1 7.415 0.01 . 1 . 221 . . 25 ILE H . 25742 1
245 . 1 1 25 25 ILE HA H 1 3.756 0.01 . 1 . 223 . . 25 ILE HA . 25742 1
246 . 1 1 25 25 ILE HB H 1 1.853 0.01 . 1 . 226 . . 25 ILE HB . 25742 1
247 . 1 1 25 25 ILE HG12 H 1 1.685 0.01 . 2 . 227 . . 25 ILE HG12 . 25742 1
248 . 1 1 25 25 ILE HG13 H 1 1.208 0.01 . 2 . 228 . . 25 ILE HG13 . 25742 1
249 . 1 1 25 25 ILE HG21 H 1 0.931 0.01 . 1 . 230 . . 25 ILE HG21 . 25742 1
250 . 1 1 25 25 ILE HG22 H 1 0.931 0.01 . 1 . 230 . . 25 ILE HG22 . 25742 1
251 . 1 1 25 25 ILE HG23 H 1 0.931 0.01 . 1 . 230 . . 25 ILE HG23 . 25742 1
252 . 1 1 25 25 ILE HD11 H 1 0.815 0.01 . 1 . 232 . . 25 ILE HD11 . 25742 1
253 . 1 1 25 25 ILE HD12 H 1 0.815 0.01 . 1 . 232 . . 25 ILE HD12 . 25742 1
254 . 1 1 25 25 ILE HD13 H 1 0.815 0.01 . 1 . 232 . . 25 ILE HD13 . 25742 1
255 . 1 1 25 25 ILE C C 13 176.320 0.10 . 1 . 224 . . 25 ILE C . 25742 1
256 . 1 1 25 25 ILE CA C 13 64.460 0.10 . 1 . 222 . . 25 ILE CA . 25742 1
257 . 1 1 25 25 ILE CB C 13 38.410 0.10 . 1 . 225 . . 25 ILE CB . 25742 1
258 . 1 1 25 25 ILE CG2 C 13 15.500 0.10 . 1 . 229 . . 25 ILE CG2 . 25742 1
259 . 1 1 25 25 ILE CD1 C 13 10.740 0.10 . 1 . 231 . . 25 ILE CD1 . 25742 1
260 . 1 1 25 25 ILE N N 15 118.330 0.10 . 1 . 220 . . 25 ILE N . 25742 1
261 . 1 1 26 26 HIS H H 1 8.217 0.01 . 1 . 234 . . 26 HIS H . 25742 1
262 . 1 1 26 26 HIS HA H 1 4.175 0.01 . 1 . 236 . . 26 HIS HA . 25742 1
263 . 1 1 26 26 HIS HB2 H 1 3.555 0.01 . 1 . 239 . . 26 HIS HB2 . 25742 1
264 . 1 1 26 26 HIS HB3 H 1 3.190 0.01 . 1 . 240 . . 26 HIS HB3 . 25742 1
265 . 1 1 26 26 HIS HD2 H 1 7.028 0.01 . 1 . 241 . . 26 HIS HD2 . 25742 1
266 . 1 1 26 26 HIS HE1 H 1 7.850 0.01 . 1 . 242 . . 26 HIS HE1 . 25742 1
267 . 1 1 26 26 HIS C C 13 176.730 0.10 . 1 . 237 . . 26 HIS C . 25742 1
268 . 1 1 26 26 HIS CA C 13 60.290 0.10 . 1 . 235 . . 26 HIS CA . 25742 1
269 . 1 1 26 26 HIS CB C 13 28.130 0.10 . 1 . 238 . . 26 HIS CB . 25742 1
270 . 1 1 26 26 HIS N N 15 119.050 0.10 . 1 . 233 . . 26 HIS N . 25742 1
271 . 1 1 27 27 VAL H H 1 9.060 0.01 . 1 . 244 . . 27 VAL H . 25742 1
272 . 1 1 27 27 VAL HA H 1 3.692 0.01 . 1 . 246 . . 27 VAL HA . 25742 1
273 . 1 1 27 27 VAL HB H 1 2.252 0.01 . 1 . 249 . . 27 VAL HB . 25742 1
274 . 1 1 27 27 VAL HG11 H 1 1.178 0.01 . 2 . 251 . . 27 VAL HG11 . 25742 1
275 . 1 1 27 27 VAL HG12 H 1 1.178 0.01 . 2 . 251 . . 27 VAL HG12 . 25742 1
276 . 1 1 27 27 VAL HG13 H 1 1.178 0.01 . 2 . 251 . . 27 VAL HG13 . 25742 1
277 . 1 1 27 27 VAL HG21 H 1 1.379 0.01 . 2 . 253 . . 27 VAL HG21 . 25742 1
278 . 1 1 27 27 VAL HG22 H 1 1.379 0.01 . 2 . 253 . . 27 VAL HG22 . 25742 1
279 . 1 1 27 27 VAL HG23 H 1 1.379 0.01 . 2 . 253 . . 27 VAL HG23 . 25742 1
280 . 1 1 27 27 VAL C C 13 175.980 0.10 . 1 . 247 . . 27 VAL C . 25742 1
281 . 1 1 27 27 VAL CA C 13 66.580 0.10 . 1 . 245 . . 27 VAL CA . 25742 1
282 . 1 1 27 27 VAL CB C 13 32.140 0.10 . 1 . 248 . . 27 VAL CB . 25742 1
283 . 1 1 27 27 VAL CG1 C 13 19.710 0.10 . 1 . 250 . . 27 VAL CG1 . 25742 1
284 . 1 1 27 27 VAL CG2 C 13 20.820 0.10 . 1 . 252 . . 27 VAL CG2 . 25742 1
285 . 1 1 27 27 VAL N N 15 116.700 0.10 . 1 . 243 . . 27 VAL N . 25742 1
286 . 1 1 28 28 MET H H 1 7.369 0.01 . 1 . 255 . . 28 MET H . 25742 1
287 . 1 1 28 28 MET HA H 1 4.155 0.01 . 1 . 257 . . 28 MET HA . 25742 1
288 . 1 1 28 28 MET HB2 H 1 2.113 0.01 . 2 . 260 . . 28 MET HB2 . 25742 1
289 . 1 1 28 28 MET HB3 H 1 2.146 0.01 . 2 . 261 . . 28 MET HB3 . 25742 1
290 . 1 1 28 28 MET HG2 H 1 2.728 0.01 . 2 . 262 . . 28 MET HG2 . 25742 1
291 . 1 1 28 28 MET HG3 H 1 2.650 0.01 . 2 . 263 . . 28 MET HG3 . 25742 1
292 . 1 1 28 28 MET HE1 H 1 2.074 0.01 . 1 . 264 . . 28 MET HE1 . 25742 1
293 . 1 1 28 28 MET HE2 H 1 2.074 0.01 . 1 . 264 . . 28 MET HE2 . 25742 1
294 . 1 1 28 28 MET HE3 H 1 2.074 0.01 . 1 . 264 . . 28 MET HE3 . 25742 1
295 . 1 1 28 28 MET C C 13 174.920 0.10 . 1 . 258 . . 28 MET C . 25742 1
296 . 1 1 28 28 MET CA C 13 58.250 0.10 . 1 . 256 . . 28 MET CA . 25742 1
297 . 1 1 28 28 MET CB C 13 32.350 0.10 . 1 . 259 . . 28 MET CB . 25742 1
298 . 1 1 28 28 MET N N 15 117.220 0.10 . 1 . 254 . . 28 MET N . 25742 1
299 . 1 1 29 29 ASP H H 1 6.864 0.01 . 1 . 266 . . 29 ASP H . 25742 1
300 . 1 1 29 29 ASP HA H 1 4.797 0.01 . 1 . 268 . . 29 ASP HA . 25742 1
301 . 1 1 29 29 ASP HB2 H 1 2.389 0.01 . 2 . 271 . . 29 ASP HB2 . 25742 1
302 . 1 1 29 29 ASP HB3 H 1 2.696 0.01 . 2 . 272 . . 29 ASP HB3 . 25742 1
303 . 1 1 29 29 ASP C C 13 172.890 0.10 . 1 . 269 . . 29 ASP C . 25742 1
304 . 1 1 29 29 ASP CA C 13 53.970 0.10 . 1 . 267 . . 29 ASP CA . 25742 1
305 . 1 1 29 29 ASP CB C 13 42.540 0.10 . 1 . 270 . . 29 ASP CB . 25742 1
306 . 1 1 29 29 ASP N N 15 115.600 0.10 . 1 . 265 . . 29 ASP N . 25742 1
307 . 1 1 30 30 CYS H H 1 7.364 0.01 . 1 . 274 . . 30 CYS H . 25742 1
308 . 1 1 30 30 CYS HA H 1 3.944 0.01 . 1 . 276 . . 30 CYS HA . 25742 1
309 . 1 1 30 30 CYS HB2 H 1 2.596 0.01 . 1 . 279 . . 30 CYS HB2 . 25742 1
310 . 1 1 30 30 CYS HB3 H 1 2.186 0.01 . 1 . 280 . . 30 CYS HB3 . 25742 1
311 . 1 1 30 30 CYS C C 13 173.670 0.10 . 1 . 277 . . 30 CYS C . 25742 1
312 . 1 1 30 30 CYS CA C 13 61.440 0.10 . 1 . 275 . . 30 CYS CA . 25742 1
313 . 1 1 30 30 CYS CB C 13 29.000 0.10 . 1 . 278 . . 30 CYS CB . 25742 1
314 . 1 1 30 30 CYS N N 15 123.980 0.10 . 1 . 273 . . 30 CYS N . 25742 1
315 . 1 1 31 31 ILE H H 1 8.116 0.01 . 1 . 282 . . 31 ILE H . 25742 1
316 . 1 1 31 31 ILE HA H 1 4.296 0.01 . 1 . 284 . . 31 ILE HA . 25742 1
317 . 1 1 31 31 ILE HB H 1 1.957 0.01 . 1 . 287 . . 31 ILE HB . 25742 1
318 . 1 1 31 31 ILE HG12 H 1 1.405 0.01 . 2 . 288 . . 31 ILE HG12 . 25742 1
319 . 1 1 31 31 ILE HG13 H 1 1.114 0.01 . 2 . 289 . . 31 ILE HG13 . 25742 1
320 . 1 1 31 31 ILE HG21 H 1 0.859 0.01 . 1 . 290 . . 31 ILE HG21 . 25742 1
321 . 1 1 31 31 ILE HG22 H 1 0.859 0.01 . 1 . 290 . . 31 ILE HG22 . 25742 1
322 . 1 1 31 31 ILE HG23 H 1 0.859 0.01 . 1 . 290 . . 31 ILE HG23 . 25742 1
323 . 1 1 31 31 ILE HD11 H 1 0.861 0.01 . 1 . 292 . . 31 ILE HD11 . 25742 1
324 . 1 1 31 31 ILE HD12 H 1 0.861 0.01 . 1 . 292 . . 31 ILE HD12 . 25742 1
325 . 1 1 31 31 ILE HD13 H 1 0.861 0.01 . 1 . 292 . . 31 ILE HD13 . 25742 1
326 . 1 1 31 31 ILE C C 13 173.290 0.10 . 1 . 285 . . 31 ILE C . 25742 1
327 . 1 1 31 31 ILE CA C 13 61.210 0.10 . 1 . 283 . . 31 ILE CA . 25742 1
328 . 1 1 31 31 ILE CB C 13 38.970 0.10 . 1 . 286 . . 31 ILE CB . 25742 1
329 . 1 1 31 31 ILE CD1 C 13 11.610 0.10 . 1 . 291 . . 31 ILE CD1 . 25742 1
330 . 1 1 31 31 ILE N N 15 124.690 0.10 . 1 . 281 . . 31 ILE N . 25742 1
331 . 1 1 32 32 ILE H H 1 7.557 0.01 . 1 . 294 . . 32 ILE H . 25742 1
332 . 1 1 32 32 ILE HA H 1 4.000 0.01 . 1 . 296 . . 32 ILE HA . 25742 1
333 . 1 1 32 32 ILE HB H 1 1.769 0.01 . 1 . 299 . . 32 ILE HB . 25742 1
334 . 1 1 32 32 ILE HG12 H 1 1.187 0.01 . 2 . 300 . . 32 ILE HG12 . 25742 1
335 . 1 1 32 32 ILE HG13 H 1 1.372 0.01 . 2 . 301 . . 32 ILE HG13 . 25742 1
336 . 1 1 32 32 ILE HG21 H 1 0.855 0.01 . 1 . 303 . . 32 ILE HG21 . 25742 1
337 . 1 1 32 32 ILE HG22 H 1 0.855 0.01 . 1 . 303 . . 32 ILE HG22 . 25742 1
338 . 1 1 32 32 ILE HG23 H 1 0.855 0.01 . 1 . 303 . . 32 ILE HG23 . 25742 1
339 . 1 1 32 32 ILE HD11 H 1 0.829 0.01 . 1 . 305 . . 32 ILE HD11 . 25742 1
340 . 1 1 32 32 ILE HD12 H 1 0.829 0.01 . 1 . 305 . . 32 ILE HD12 . 25742 1
341 . 1 1 32 32 ILE HD13 H 1 0.829 0.01 . 1 . 305 . . 32 ILE HD13 . 25742 1
342 . 1 1 32 32 ILE C C 13 179.070 0.10 . 1 . 297 . . 32 ILE C . 25742 1
343 . 1 1 32 32 ILE CA C 13 62.710 0.10 . 1 . 295 . . 32 ILE CA . 25742 1
344 . 1 1 32 32 ILE CB C 13 39.190 0.10 . 1 . 298 . . 32 ILE CB . 25742 1
345 . 1 1 32 32 ILE CG2 C 13 16.390 0.10 . 1 . 302 . . 32 ILE CG2 . 25742 1
346 . 1 1 32 32 ILE CD1 C 13 11.040 0.10 . 1 . 304 . . 32 ILE CD1 . 25742 1
347 . 1 1 32 32 ILE N N 15 128.970 0.10 . 1 . 293 . . 32 ILE N . 25742 1
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