Content for NMR-STAR saveframe, assigned_chemical_shifts_2
save_assigned_chemical_shifts_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2
_Assigned_chem_shift_list.Entry_ID 52723
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name 'The methyl assignment of AMPPNP-bound state of E coli Hsp90'
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-13C HMQC' . . . 52723 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 $software_1 . . 52723 2
2 $software_2 . . 52723 2
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 20 20 MET HE1 H 1 2.0800 0.0000 . 1 . . . . . 20 MET HE1 . 52723 2
2 . 1 . 1 20 20 MET HE2 H 1 2.0800 0.0000 . 1 . . . . . 20 MET HE1 . 52723 2
3 . 1 . 1 20 20 MET HE3 H 1 2.0800 0.0000 . 1 . . . . . 20 MET HE1 . 52723 2
4 . 1 . 1 20 20 MET CE C 13 18.1954 0.0000 . 1 . . . . . 20 MET CE . 52723 2
5 . 1 . 1 30 30 ILE HD11 H 1 0.6401 0.0000 . 1 . . . . . 30 ILE HD11 . 52723 2
6 . 1 . 1 30 30 ILE HD12 H 1 0.6401 0.0000 . 1 . . . . . 30 ILE HD11 . 52723 2
7 . 1 . 1 30 30 ILE HD13 H 1 0.6401 0.0000 . 1 . . . . . 30 ILE HD11 . 52723 2
8 . 1 . 1 30 30 ILE CD1 C 13 16.3520 0.0000 . 1 . . . . . 30 ILE CD1 . 52723 2
9 . 1 . 1 36 36 ILE HD11 H 1 0.6720 0.0000 . 1 . . . . . 36 ILE HD11 . 52723 2
10 . 1 . 1 36 36 ILE HD12 H 1 0.6720 0.0000 . 1 . . . . . 36 ILE HD11 . 52723 2
11 . 1 . 1 36 36 ILE HD13 H 1 0.6720 0.0000 . 1 . . . . . 36 ILE HD11 . 52723 2
12 . 1 . 1 36 36 ILE CD1 C 13 12.2800 0.0000 . 1 . . . . . 36 ILE CD1 . 52723 2
13 . 1 . 1 46 46 LEU HD11 H 1 0.8779 0.0000 . 1 . . . . . 46 LEU HD11 . 52723 2
14 . 1 . 1 46 46 LEU HD12 H 1 0.8779 0.0000 . 1 . . . . . 46 LEU HD11 . 52723 2
15 . 1 . 1 46 46 LEU HD13 H 1 0.8779 0.0000 . 1 . . . . . 46 LEU HD11 . 52723 2
16 . 1 . 1 46 46 LEU CD1 C 13 28.1436 0.0000 . 1 . . . . . 46 LEU CD1 . 52723 2
17 . 1 . 1 63 63 LEU HD11 H 1 1.0523 0.0000 . 1 . . . . . 63 LEU HD11 . 52723 2
18 . 1 . 1 63 63 LEU HD12 H 1 1.0523 0.0000 . 1 . . . . . 63 LEU HD11 . 52723 2
19 . 1 . 1 63 63 LEU HD13 H 1 1.0523 0.0000 . 1 . . . . . 63 LEU HD11 . 52723 2
20 . 1 . 1 63 63 LEU CD1 C 13 27.3878 0.0000 . 1 . . . . . 63 LEU CD1 . 52723 2
21 . 1 . 1 76 76 LEU HD11 H 1 0.9039 0.0000 . 1 . . . . . 76 LEU HD11 . 52723 2
22 . 1 . 1 76 76 LEU HD12 H 1 0.9039 0.0000 . 1 . . . . . 76 LEU HD11 . 52723 2
23 . 1 . 1 76 76 LEU HD13 H 1 0.9039 0.0000 . 1 . . . . . 76 LEU HD11 . 52723 2
24 . 1 . 1 76 76 LEU HD21 H 1 1.0936 0.0000 . 1 . . . . . 76 LEU HD21 . 52723 2
25 . 1 . 1 76 76 LEU HD22 H 1 1.0936 0.0000 . 1 . . . . . 76 LEU HD21 . 52723 2
26 . 1 . 1 76 76 LEU HD23 H 1 1.0936 0.0000 . 1 . . . . . 76 LEU HD21 . 52723 2
27 . 1 . 1 76 76 LEU CD1 C 13 21.4226 0.0000 . 1 . . . . . 76 LEU CD1 . 52723 2
28 . 1 . 1 76 76 LEU CD2 C 13 25.7150 0.0000 . 1 . . . . . 76 LEU CD2 . 52723 2
29 . 1 . 1 91 91 ILE HD11 H 1 0.9671 0.0000 . 1 . . . . . 91 ILE HD11 . 52723 2
30 . 1 . 1 91 91 ILE HD12 H 1 0.9671 0.0000 . 1 . . . . . 91 ILE HD11 . 52723 2
31 . 1 . 1 91 91 ILE HD13 H 1 0.9671 0.0000 . 1 . . . . . 91 ILE HD11 . 52723 2
32 . 1 . 1 91 91 ILE CD1 C 13 13.1325 0.0000 . 1 . . . . . 91 ILE CD1 . 52723 2
33 . 1 . 1 94 94 LEU HD11 H 1 -0.4564 0.0000 . 1 . . . . . 94 LEU HD11 . 52723 2
34 . 1 . 1 94 94 LEU HD12 H 1 -0.4564 0.0000 . 1 . . . . . 94 LEU HD11 . 52723 2
35 . 1 . 1 94 94 LEU HD13 H 1 -0.4564 0.0000 . 1 . . . . . 94 LEU HD11 . 52723 2
36 . 1 . 1 94 94 LEU HD21 H 1 -0.8388 0.0000 . 1 . . . . . 94 LEU HD21 . 52723 2
37 . 1 . 1 94 94 LEU HD22 H 1 -0.8388 0.0000 . 1 . . . . . 94 LEU HD21 . 52723 2
38 . 1 . 1 94 94 LEU HD23 H 1 -0.8388 0.0000 . 1 . . . . . 94 LEU HD21 . 52723 2
39 . 1 . 1 94 94 LEU CD1 C 13 23.6167 0.0000 . 1 . . . . . 94 LEU CD1 . 52723 2
40 . 1 . 1 94 94 LEU CD2 C 13 19.8733 0.0000 . 1 . . . . . 94 LEU CD2 . 52723 2
41 . 1 . 1 97 97 ILE HD11 H 1 0.6345 0.0000 . 1 . . . . . 97 ILE HD11 . 52723 2
42 . 1 . 1 97 97 ILE HD12 H 1 0.6345 0.0000 . 1 . . . . . 97 ILE HD11 . 52723 2
43 . 1 . 1 97 97 ILE HD13 H 1 0.6345 0.0000 . 1 . . . . . 97 ILE HD11 . 52723 2
44 . 1 . 1 97 97 ILE CD1 C 13 13.9558 0.0000 . 1 . . . . . 97 ILE CD1 . 52723 2
45 . 1 . 1 120 120 ILE HD11 H 1 0.7044 0.0000 . 1 . . . . . 120 ILE HD11 . 52723 2
46 . 1 . 1 120 120 ILE HD12 H 1 0.7044 0.0000 . 1 . . . . . 120 ILE HD11 . 52723 2
47 . 1 . 1 120 120 ILE HD13 H 1 0.7044 0.0000 . 1 . . . . . 120 ILE HD11 . 52723 2
48 . 1 . 1 120 120 ILE CD1 C 13 13.7522 0.0000 . 1 . . . . . 120 ILE CD1 . 52723 2
49 . 1 . 1 133 133 VAL HG21 H 1 -0.6059 0.0000 . 1 . . . . . 133 VAL HG21 . 52723 2
50 . 1 . 1 133 133 VAL HG22 H 1 -0.6059 0.0000 . 1 . . . . . 133 VAL HG21 . 52723 2
51 . 1 . 1 133 133 VAL HG23 H 1 -0.6059 0.0000 . 1 . . . . . 133 VAL HG21 . 52723 2
52 . 1 . 1 133 133 VAL CG2 C 13 15.6148 0.0000 . 1 . . . . . 133 VAL CG2 . 52723 2
53 . 1 . 1 137 137 VAL HG11 H 1 0.0831 0.0000 . 1 . . . . . 137 VAL HG11 . 52723 2
54 . 1 . 1 137 137 VAL HG12 H 1 0.0831 0.0000 . 1 . . . . . 137 VAL HG11 . 52723 2
55 . 1 . 1 137 137 VAL HG13 H 1 0.0831 0.0000 . 1 . . . . . 137 VAL HG11 . 52723 2
56 . 1 . 1 137 137 VAL CG1 C 13 22.3793 0.0000 . 1 . . . . . 137 VAL CG1 . 52723 2
57 . 1 . 1 139 139 VAL HG11 H 1 0.4122 0.0000 . 1 . . . . . 139 VAL HG11 . 52723 2
58 . 1 . 1 139 139 VAL HG12 H 1 0.4122 0.0000 . 1 . . . . . 139 VAL HG11 . 52723 2
59 . 1 . 1 139 139 VAL HG13 H 1 0.4122 0.0000 . 1 . . . . . 139 VAL HG11 . 52723 2
60 . 1 . 1 139 139 VAL CG1 C 13 20.4924 0.0000 . 1 . . . . . 139 VAL CG1 . 52723 2
61 . 1 . 1 157 157 ALA HB1 H 1 1.6080 0.0000 . 1 . . . . . 157 ALA HB1 . 52723 2
62 . 1 . 1 157 157 ALA HB2 H 1 1.6080 0.0000 . 1 . . . . . 157 ALA HB1 . 52723 2
63 . 1 . 1 157 157 ALA HB3 H 1 1.6080 0.0000 . 1 . . . . . 157 ALA HB1 . 52723 2
64 . 1 . 1 157 157 ALA CB C 13 19.9905 0.0000 . 1 . . . . . 157 ALA CB . 52723 2
65 . 1 . 1 167 167 ILE HD11 H 1 0.9452 0.0000 . 1 . . . . . 167 ILE HD11 . 52723 2
66 . 1 . 1 167 167 ILE HD12 H 1 0.9452 0.0000 . 1 . . . . . 167 ILE HD11 . 52723 2
67 . 1 . 1 167 167 ILE HD13 H 1 0.9452 0.0000 . 1 . . . . . 167 ILE HD11 . 52723 2
68 . 1 . 1 167 167 ILE CD1 C 13 13.9254 0.0000 . 1 . . . . . 167 ILE CD1 . 52723 2
69 . 1 . 1 193 193 VAL HG21 H 1 1.2620 0.0000 . 1 . . . . . 193 VAL HG21 . 52723 2
70 . 1 . 1 193 193 VAL HG22 H 1 1.2620 0.0000 . 1 . . . . . 193 VAL HG21 . 52723 2
71 . 1 . 1 193 193 VAL HG23 H 1 1.2620 0.0000 . 1 . . . . . 193 VAL HG21 . 52723 2
72 . 1 . 1 193 193 VAL CG2 C 13 24.0978 0.0000 . 1 . . . . . 193 VAL CG2 . 52723 2
73 . 1 . 1 222 222 ILE HD11 H 1 1.1158 0.0000 . 1 . . . . . 222 ILE HD11 . 52723 2
74 . 1 . 1 222 222 ILE HD12 H 1 1.1158 0.0000 . 1 . . . . . 222 ILE HD11 . 52723 2
75 . 1 . 1 222 222 ILE HD13 H 1 1.1158 0.0000 . 1 . . . . . 222 ILE HD11 . 52723 2
76 . 1 . 1 222 222 ILE CD1 C 13 16.0700 0.0000 . 1 . . . . . 222 ILE CD1 . 52723 2
77 . 1 . 1 233 233 LEU HD11 H 1 0.1256 0.0000 . 1 . . . . . 233 LEU HD11 . 52723 2
78 . 1 . 1 233 233 LEU HD12 H 1 0.1256 0.0000 . 1 . . . . . 233 LEU HD11 . 52723 2
79 . 1 . 1 233 233 LEU HD13 H 1 0.1256 0.0000 . 1 . . . . . 233 LEU HD11 . 52723 2
80 . 1 . 1 233 233 LEU CD1 C 13 25.5068 0.0000 . 1 . . . . . 233 LEU CD1 . 52723 2
81 . 1 . 1 254 254 ALA HB1 H 1 0.6537 0.0000 . 1 . . . . . 254 ALA HB1 . 52723 2
82 . 1 . 1 254 254 ALA HB2 H 1 0.6537 0.0000 . 1 . . . . . 254 ALA HB1 . 52723 2
83 . 1 . 1 254 254 ALA HB3 H 1 0.6537 0.0000 . 1 . . . . . 254 ALA HB1 . 52723 2
84 . 1 . 1 254 254 ALA CB C 13 19.6728 0.0000 . 1 . . . . . 254 ALA CB . 52723 2
85 . 1 . 1 268 268 VAL HG21 H 1 0.5150 0.0000 . 1 . . . . . 268 VAL HG21 . 52723 2
86 . 1 . 1 268 268 VAL HG22 H 1 0.5150 0.0000 . 1 . . . . . 268 VAL HG21 . 52723 2
87 . 1 . 1 268 268 VAL HG23 H 1 0.5150 0.0000 . 1 . . . . . 268 VAL HG21 . 52723 2
88 . 1 . 1 268 268 VAL CG2 C 13 21.3141 0.0000 . 1 . . . . . 268 VAL CG2 . 52723 2
89 . 1 . 1 275 275 THR HG21 H 1 1.4838 0.0000 . 1 . . . . . 275 THR HG21 . 52723 2
90 . 1 . 1 275 275 THR HG22 H 1 1.4838 0.0000 . 1 . . . . . 275 THR HG21 . 52723 2
91 . 1 . 1 275 275 THR HG23 H 1 1.4838 0.0000 . 1 . . . . . 275 THR HG21 . 52723 2
92 . 1 . 1 275 275 THR CG2 C 13 21.7798 0.0000 . 1 . . . . . 275 THR CG2 . 52723 2
93 . 1 . 1 278 278 LEU HD21 H 1 1.0633 0.0000 . 1 . . . . . 278 LEU HD21 . 52723 2
94 . 1 . 1 278 278 LEU HD22 H 1 1.0633 0.0000 . 1 . . . . . 278 LEU HD21 . 52723 2
95 . 1 . 1 278 278 LEU HD23 H 1 1.0633 0.0000 . 1 . . . . . 278 LEU HD21 . 52723 2
96 . 1 . 1 278 278 LEU CD2 C 13 24.4141 0.0000 . 1 . . . . . 278 LEU CD2 . 52723 2
97 . 1 . 1 280 280 ILE HD11 H 1 0.7813 0.0000 . 1 . . . . . 280 ILE HD11 . 52723 2
98 . 1 . 1 280 280 ILE HD12 H 1 0.7813 0.0000 . 1 . . . . . 280 ILE HD11 . 52723 2
99 . 1 . 1 280 280 ILE HD13 H 1 0.7813 0.0000 . 1 . . . . . 280 ILE HD11 . 52723 2
100 . 1 . 1 280 280 ILE CD1 C 13 11.2985 0.0000 . 1 . . . . . 280 ILE CD1 . 52723 2
101 . 1 . 1 299 299 LEU HD11 H 1 0.8264 0.0000 . 1 . . . . . 299 LEU HD11 . 52723 2
102 . 1 . 1 299 299 LEU HD12 H 1 0.8264 0.0000 . 1 . . . . . 299 LEU HD11 . 52723 2
103 . 1 . 1 299 299 LEU HD13 H 1 0.8264 0.0000 . 1 . . . . . 299 LEU HD11 . 52723 2
104 . 1 . 1 299 299 LEU CD1 C 13 26.6396 0.0000 . 1 . . . . . 299 LEU CD1 . 52723 2
105 . 1 . 1 306 306 ILE HD11 H 1 0.7196 0.0000 . 1 . . . . . 306 ILE HD11 . 52723 2
106 . 1 . 1 306 306 ILE HD12 H 1 0.7196 0.0000 . 1 . . . . . 306 ILE HD11 . 52723 2
107 . 1 . 1 306 306 ILE HD13 H 1 0.7196 0.0000 . 1 . . . . . 306 ILE HD11 . 52723 2
108 . 1 . 1 306 306 ILE CD1 C 13 9.5046 0.0000 . 1 . . . . . 306 ILE CD1 . 52723 2
109 . 1 . 1 307 307 MET HE1 H 1 1.8478 0.0000 . 1 . . . . . 307 MET HE1 . 52723 2
110 . 1 . 1 307 307 MET HE2 H 1 1.8478 0.0000 . 1 . . . . . 307 MET HE1 . 52723 2
111 . 1 . 1 307 307 MET HE3 H 1 1.8478 0.0000 . 1 . . . . . 307 MET HE1 . 52723 2
112 . 1 . 1 307 307 MET CE C 13 17.3019 0.0000 . 1 . . . . . 307 MET CE . 52723 2
113 . 1 . 1 314 314 MET HE1 H 1 1.9149 0.0000 . 1 . . . . . 314 MET HE1 . 52723 2
114 . 1 . 1 314 314 MET HE2 H 1 1.9149 0.0000 . 1 . . . . . 314 MET HE1 . 52723 2
115 . 1 . 1 314 314 MET HE3 H 1 1.9149 0.0000 . 1 . . . . . 314 MET HE1 . 52723 2
116 . 1 . 1 314 314 MET CE C 13 18.8964 0.0000 . 1 . . . . . 314 MET CE . 52723 2
117 . 1 . 1 318 318 LEU HD11 H 1 1.4174 0.0000 . 1 . . . . . 318 LEU HD11 . 52723 2
118 . 1 . 1 318 318 LEU HD12 H 1 1.4174 0.0000 . 1 . . . . . 318 LEU HD11 . 52723 2
119 . 1 . 1 318 318 LEU HD13 H 1 1.4174 0.0000 . 1 . . . . . 318 LEU HD11 . 52723 2
120 . 1 . 1 318 318 LEU CD1 C 13 26.5604 0.0000 . 1 . . . . . 318 LEU CD1 . 52723 2
121 . 1 . 1 356 356 VAL HG11 H 1 0.0460 0.0000 . 1 . . . . . 356 VAL HG11 . 52723 2
122 . 1 . 1 356 356 VAL HG12 H 1 0.0460 0.0000 . 1 . . . . . 356 VAL HG11 . 52723 2
123 . 1 . 1 356 356 VAL HG13 H 1 0.0460 0.0000 . 1 . . . . . 356 VAL HG11 . 52723 2
124 . 1 . 1 356 356 VAL CG1 C 13 21.2020 0.0000 . 1 . . . . . 356 VAL CG1 . 52723 2
125 . 1 . 1 359 359 MET HE1 H 1 1.7895 0.0000 . 1 . . . . . 359 MET HE1 . 52723 2
126 . 1 . 1 359 359 MET HE2 H 1 1.7895 0.0000 . 1 . . . . . 359 MET HE1 . 52723 2
127 . 1 . 1 359 359 MET HE3 H 1 1.7895 0.0000 . 1 . . . . . 359 MET HE1 . 52723 2
128 . 1 . 1 359 359 MET CE C 13 15.8230 0.0000 . 1 . . . . . 359 MET CE . 52723 2
129 . 1 . 1 433 433 ILE HD11 H 1 1.0396 0.0000 . 1 . . . . . 433 ILE HD11 . 52723 2
130 . 1 . 1 433 433 ILE HD12 H 1 1.0396 0.0000 . 1 . . . . . 433 ILE HD11 . 52723 2
131 . 1 . 1 433 433 ILE HD13 H 1 1.0396 0.0000 . 1 . . . . . 433 ILE HD11 . 52723 2
132 . 1 . 1 433 433 ILE CD1 C 13 14.7587 0.0000 . 1 . . . . . 433 ILE CD1 . 52723 2
133 . 1 . 1 441 441 ALA HB1 H 1 1.1924 0.0000 . 1 . . . . . 441 ALA HB1 . 52723 2
134 . 1 . 1 441 441 ALA HB2 H 1 1.1924 0.0000 . 1 . . . . . 441 ALA HB1 . 52723 2
135 . 1 . 1 441 441 ALA HB3 H 1 1.1924 0.0000 . 1 . . . . . 441 ALA HB1 . 52723 2
136 . 1 . 1 441 441 ALA CB C 13 18.0502 0.0000 . 1 . . . . . 441 ALA CB . 52723 2
137 . 1 . 1 450 450 LEU HD11 H 1 0.4490 0.0000 . 1 . . . . . 450 LEU HD11 . 52723 2
138 . 1 . 1 450 450 LEU HD12 H 1 0.4490 0.0000 . 1 . . . . . 450 LEU HD11 . 52723 2
139 . 1 . 1 450 450 LEU HD13 H 1 0.4490 0.0000 . 1 . . . . . 450 LEU HD11 . 52723 2
140 . 1 . 1 450 450 LEU CD1 C 13 25.3217 0.0000 . 1 . . . . . 450 LEU CD1 . 52723 2
141 . 1 . 1 455 455 ILE HD11 H 1 0.7094 0.0000 . 1 . . . . . 455 ILE HD11 . 52723 2
142 . 1 . 1 455 455 ILE HD12 H 1 0.7094 0.0000 . 1 . . . . . 455 ILE HD11 . 52723 2
143 . 1 . 1 455 455 ILE HD13 H 1 0.7094 0.0000 . 1 . . . . . 455 ILE HD11 . 52723 2
144 . 1 . 1 455 455 ILE CD1 C 13 12.1172 0.0000 . 1 . . . . . 455 ILE CD1 . 52723 2
145 . 1 . 1 460 460 LEU HD11 H 1 0.6490 0.0000 . 1 . . . . . 460 LEU HD11 . 52723 2
146 . 1 . 1 460 460 LEU HD12 H 1 0.6490 0.0000 . 1 . . . . . 460 LEU HD11 . 52723 2
147 . 1 . 1 460 460 LEU HD13 H 1 0.6490 0.0000 . 1 . . . . . 460 LEU HD11 . 52723 2
148 . 1 . 1 460 460 LEU CD1 C 13 27.0553 0.0000 . 1 . . . . . 460 LEU CD1 . 52723 2
149 . 1 . 1 464 464 ILE HD11 H 1 1.1034 0.0000 . 1 . . . . . 464 ILE HD11 . 52723 2
150 . 1 . 1 464 464 ILE HD12 H 1 1.1034 0.0000 . 1 . . . . . 464 ILE HD11 . 52723 2
151 . 1 . 1 464 464 ILE HD13 H 1 1.1034 0.0000 . 1 . . . . . 464 ILE HD11 . 52723 2
152 . 1 . 1 464 464 ILE CD1 C 13 15.7744 0.0000 . 1 . . . . . 464 ILE CD1 . 52723 2
153 . 1 . 1 468 468 MET HE1 H 1 0.4585 0.0000 . 1 . . . . . 468 MET HE1 . 52723 2
154 . 1 . 1 468 468 MET HE2 H 1 0.4585 0.0000 . 1 . . . . . 468 MET HE1 . 52723 2
155 . 1 . 1 468 468 MET HE3 H 1 0.4585 0.0000 . 1 . . . . . 468 MET HE1 . 52723 2
156 . 1 . 1 468 468 MET CE C 13 15.1540 0.0000 . 1 . . . . . 468 MET CE . 52723 2
157 . 1 . 1 519 519 LEU HD11 H 1 0.6299 0.0000 . 1 . . . . . 519 LEU HD11 . 52723 2
158 . 1 . 1 519 519 LEU HD12 H 1 0.6299 0.0000 . 1 . . . . . 519 LEU HD11 . 52723 2
159 . 1 . 1 519 519 LEU HD13 H 1 0.6299 0.0000 . 1 . . . . . 519 LEU HD11 . 52723 2
160 . 1 . 1 519 519 LEU CD1 C 13 27.6789 0.0000 . 1 . . . . . 519 LEU CD1 . 52723 2
161 . 1 . 1 548 548 THR HG21 H 1 0.9720 0.0000 . 1 . . . . . 548 THR HG21 . 52723 2
162 . 1 . 1 548 548 THR HG22 H 1 0.9720 0.0000 . 1 . . . . . 548 THR HG21 . 52723 2
163 . 1 . 1 548 548 THR HG23 H 1 0.9720 0.0000 . 1 . . . . . 548 THR HG21 . 52723 2
164 . 1 . 1 548 548 THR CG2 C 13 19.3213 0.0000 . 1 . . . . . 548 THR CG2 . 52723 2
165 . 1 . 1 608 608 LEU HD11 H 1 0.5457 0.0000 . 1 . . . . . 608 LEU HD11 . 52723 2
166 . 1 . 1 608 608 LEU HD12 H 1 0.5457 0.0000 . 1 . . . . . 608 LEU HD11 . 52723 2
167 . 1 . 1 608 608 LEU HD13 H 1 0.5457 0.0000 . 1 . . . . . 608 LEU HD11 . 52723 2
168 . 1 . 1 608 608 LEU CD1 C 13 21.5036 0.0000 . 1 . . . . . 608 LEU CD1 . 52723 2
169 . 1 . 1 615 615 ILE HD11 H 1 1.0076 0.0000 . 1 . . . . . 615 ILE HD11 . 52723 2
170 . 1 . 1 615 615 ILE HD12 H 1 1.0076 0.0000 . 1 . . . . . 615 ILE HD11 . 52723 2
171 . 1 . 1 615 615 ILE HD13 H 1 1.0076 0.0000 . 1 . . . . . 615 ILE HD11 . 52723 2
172 . 1 . 1 615 615 ILE CD1 C 13 14.9582 0.0000 . 1 . . . . . 615 ILE CD1 . 52723 2
173 . 1 . 1 621 621 LEU HD11 H 1 -0.0345 0.0000 . 1 . . . . . 621 LEU HD11 . 52723 2
174 . 1 . 1 621 621 LEU HD12 H 1 -0.0345 0.0000 . 1 . . . . . 621 LEU HD11 . 52723 2
175 . 1 . 1 621 621 LEU HD13 H 1 -0.0345 0.0000 . 1 . . . . . 621 LEU HD11 . 52723 2
176 . 1 . 1 621 621 LEU HD21 H 1 -0.0026 0.0000 . 1 . . . . . 621 LEU HD21 . 52723 2
177 . 1 . 1 621 621 LEU HD22 H 1 -0.0026 0.0000 . 1 . . . . . 621 LEU HD21 . 52723 2
178 . 1 . 1 621 621 LEU HD23 H 1 -0.0026 0.0000 . 1 . . . . . 621 LEU HD21 . 52723 2
179 . 1 . 1 621 621 LEU CD1 C 13 25.5895 0.0000 . 1 . . . . . 621 LEU CD1 . 52723 2
180 . 1 . 1 621 621 LEU CD2 C 13 21.2897 0.0000 . 1 . . . . . 621 LEU CD2 . 52723 2
181 . 1 . 1 623 623 VAL HG11 H 1 0.9641 0.0000 . 1 . . . . . 623 VAL HG11 . 52723 2
182 . 1 . 1 623 623 VAL HG12 H 1 0.9641 0.0000 . 1 . . . . . 623 VAL HG11 . 52723 2
183 . 1 . 1 623 623 VAL HG13 H 1 0.9641 0.0000 . 1 . . . . . 623 VAL HG11 . 52723 2
184 . 1 . 1 623 623 VAL CG1 C 13 19.9290 0.0000 . 1 . . . . . 623 VAL CG1 . 52723 2
stop_
save_