Content for NMR-STAR saveframe, "assigned_chemical_shifts_1"
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 50919
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'PD in presence of satturating amounts of La3+'
_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' . . . 50919 1
2 '4D 1H-13C HMQC-NOESY-HMQC' . . . 50919 1
3 '2D 1H-13C HMQC' . . . 50919 1
4 '2D 1H-13C HMQC' . . . 50919 1
5 '2D 1H-13C HMQC' . . . 50919 1
6 '2D 1H-13C HMQC' . . . 50919 1
7 '2D 1H-13C HMQC' . . . 50919 1
8 '2D 1H-13C HMQC' . . . 50919 1
9 '2D 1H-13C HMQC' . . . 50919 1
10 '2D 1H-13C HMQC' . . . 50919 1
11 '2D 1H-13C HMQC' . . . 50919 1
12 '2D 1H-13C HMQC' . . . 50919 1
13 '2D 1H-13C HMQC' . . . 50919 1
14 '2D 1H-13C HMQC' . . . 50919 1
15 '2D 1H-13C HMQC' . . . 50919 1
16 '2D 1H-13C HMQC' . . . 50919 1
17 '2D 1H-13C HMQC' . . . 50919 1
18 '2D 1H-13C HMQC' . . . 50919 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
1 $software_1 . . 50919 1
2 $software_2 . . 50919 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 4 4 MET HE1 H 1 1.59395 0.002 . 1 . . . . . 229 MET ME . 50919 1
2 . 1 . 1 4 4 MET HE2 H 1 1.59395 0.002 . 1 . . . . . 229 MET ME . 50919 1
3 . 1 . 1 4 4 MET HE3 H 1 1.59395 0.002 . 1 . . . . . 229 MET ME . 50919 1
4 . 1 . 1 4 4 MET CE C 13 16.93945 0.01 . 1 . . . . . 229 MET CE . 50919 1
5 . 1 . 1 5 5 VAL HG21 H 1 0.69434 0.002 . 1 . . . . . 230 VAL MG2 . 50919 1
6 . 1 . 1 5 5 VAL HG22 H 1 0.69434 0.002 . 1 . . . . . 230 VAL MG2 . 50919 1
7 . 1 . 1 5 5 VAL HG23 H 1 0.69434 0.002 . 1 . . . . . 230 VAL MG2 . 50919 1
8 . 1 . 1 5 5 VAL CG2 C 13 22.17271 0.01 . 1 . . . . . 230 VAL CG2 . 50919 1
9 . 1 . 1 7 7 LEU HD21 H 1 0.2845 0.002 . 1 . . . . . 232 LEU MD2 . 50919 1
10 . 1 . 1 7 7 LEU HD22 H 1 0.2845 0.002 . 1 . . . . . 232 LEU MD2 . 50919 1
11 . 1 . 1 7 7 LEU HD23 H 1 0.2845 0.002 . 1 . . . . . 232 LEU MD2 . 50919 1
12 . 1 . 1 7 7 LEU CD2 C 13 22.49378 0.01 . 1 . . . . . 232 LEU CD2 . 50919 1
13 . 1 . 1 9 9 VAL HG21 H 1 0.8413 0.002 . 1 . . . . . 234 VAL MG2 . 50919 1
14 . 1 . 1 9 9 VAL HG22 H 1 0.8413 0.002 . 1 . . . . . 234 VAL MG2 . 50919 1
15 . 1 . 1 9 9 VAL HG23 H 1 0.8413 0.002 . 1 . . . . . 234 VAL MG2 . 50919 1
16 . 1 . 1 9 9 VAL CG2 C 13 20.287 0.01 . 1 . . . . . 234 VAL CG2 . 50919 1
17 . 1 . 1 10 10 ILE HD11 H 1 0.58187 0.002 . 1 . . . . . 235 ILE MD . 50919 1
18 . 1 . 1 10 10 ILE HD12 H 1 0.58187 0.002 . 1 . . . . . 235 ILE MD . 50919 1
19 . 1 . 1 10 10 ILE HD13 H 1 0.58187 0.002 . 1 . . . . . 235 ILE MD . 50919 1
20 . 1 . 1 10 10 ILE CD1 C 13 13.71879 0.01 . 1 . . . . . 235 ILE CD1 . 50919 1
21 . 1 . 1 27 27 LEU HD21 H 1 0.49912 0.002 . 1 . . . . . 252 LEU MD2 . 50919 1
22 . 1 . 1 27 27 LEU HD22 H 1 0.49912 0.002 . 1 . . . . . 252 LEU MD2 . 50919 1
23 . 1 . 1 27 27 LEU HD23 H 1 0.49912 0.002 . 1 . . . . . 252 LEU MD2 . 50919 1
24 . 1 . 1 27 27 LEU CD2 C 13 26.08915 0.01 . 1 . . . . . 252 LEU CD2 . 50919 1
25 . 1 . 1 29 29 VAL HG21 H 1 0.38145 0.002 . 1 . . . . . 254 VAL MG2 . 50919 1
26 . 1 . 1 29 29 VAL HG22 H 1 0.38145 0.002 . 1 . . . . . 254 VAL MG2 . 50919 1
27 . 1 . 1 29 29 VAL HG23 H 1 0.38145 0.002 . 1 . . . . . 254 VAL MG2 . 50919 1
28 . 1 . 1 29 29 VAL CG2 C 13 19.16748 0.01 . 1 . . . . . 254 VAL CG2 . 50919 1
29 . 1 . 1 44 44 VAL HG21 H 1 1.34739 0.002 . 1 . . . . . 269 VAL MG2 . 50919 1
30 . 1 . 1 44 44 VAL HG22 H 1 1.34739 0.002 . 1 . . . . . 269 VAL MG2 . 50919 1
31 . 1 . 1 44 44 VAL HG23 H 1 1.34739 0.002 . 1 . . . . . 269 VAL MG2 . 50919 1
32 . 1 . 1 44 44 VAL CG2 C 13 20.71399 0.01 . 1 . . . . . 269 VAL CG2 . 50919 1
33 . 1 . 1 46 46 VAL HG21 H 1 0.64892 0.002 . 1 . . . . . 271 VAL MG2 . 50919 1
34 . 1 . 1 46 46 VAL HG22 H 1 0.64892 0.002 . 1 . . . . . 271 VAL MG2 . 50919 1
35 . 1 . 1 46 46 VAL HG23 H 1 0.64892 0.002 . 1 . . . . . 271 VAL MG2 . 50919 1
36 . 1 . 1 46 46 VAL CG2 C 13 23.15501 0.01 . 1 . . . . . 271 VAL CG2 . 50919 1
37 . 1 . 1 50 50 LEU HD21 H 1 0.69838 0.002 . 1 . . . . . 275 LEU MD2 . 50919 1
38 . 1 . 1 50 50 LEU HD22 H 1 0.69838 0.002 . 1 . . . . . 275 LEU MD2 . 50919 1
39 . 1 . 1 50 50 LEU HD23 H 1 0.69838 0.002 . 1 . . . . . 275 LEU MD2 . 50919 1
40 . 1 . 1 50 50 LEU CD2 C 13 23.61784 0.01 . 1 . . . . . 275 LEU CD2 . 50919 1
41 . 1 . 1 56 56 ILE HD11 H 1 0.68942 0.002 . 1 . . . . . 281 ILE MD . 50919 1
42 . 1 . 1 56 56 ILE HD12 H 1 0.68942 0.002 . 1 . . . . . 281 ILE MD . 50919 1
43 . 1 . 1 56 56 ILE HD13 H 1 0.68942 0.002 . 1 . . . . . 281 ILE MD . 50919 1
44 . 1 . 1 56 56 ILE CD1 C 13 11.893 0.01 . 1 . . . . . 281 ILE CD1 . 50919 1
45 . 1 . 1 66 66 ALA HB1 H 1 1.27709 0.002 . 1 . . . . . 291 ALA MB . 50919 1
46 . 1 . 1 66 66 ALA HB2 H 1 1.27709 0.002 . 1 . . . . . 291 ALA MB . 50919 1
47 . 1 . 1 66 66 ALA HB3 H 1 1.27709 0.002 . 1 . . . . . 291 ALA MB . 50919 1
48 . 1 . 1 66 66 ALA CB C 13 24.47212 0.01 . 1 . . . . . 291 ALA CB . 50919 1
49 . 1 . 1 68 68 ALA HB1 H 1 1.07752 0.002 . 1 . . . . . 293 ALA MB . 50919 1
50 . 1 . 1 68 68 ALA HB2 H 1 1.07752 0.002 . 1 . . . . . 293 ALA MB . 50919 1
51 . 1 . 1 68 68 ALA HB3 H 1 1.07752 0.002 . 1 . . . . . 293 ALA MB . 50919 1
52 . 1 . 1 68 68 ALA CB C 13 24.1714 0.01 . 1 . . . . . 293 ALA CB . 50919 1
53 . 1 . 1 69 69 ALA HB1 H 1 1.18975 0.002 . 1 . . . . . 294 ALA MB . 50919 1
54 . 1 . 1 69 69 ALA HB2 H 1 1.18975 0.002 . 1 . . . . . 294 ALA MB . 50919 1
55 . 1 . 1 69 69 ALA HB3 H 1 1.18975 0.002 . 1 . . . . . 294 ALA MB . 50919 1
56 . 1 . 1 69 69 ALA CB C 13 21.1731 0.01 . 1 . . . . . 294 ALA CB . 50919 1
57 . 1 . 1 79 79 VAL HG21 H 1 0.84937 0.002 . 1 . . . . . 304 VAL MG2 . 50919 1
58 . 1 . 1 79 79 VAL HG22 H 1 0.84937 0.002 . 1 . . . . . 304 VAL MG2 . 50919 1
59 . 1 . 1 79 79 VAL HG23 H 1 0.84937 0.002 . 1 . . . . . 304 VAL MG2 . 50919 1
60 . 1 . 1 79 79 VAL CG2 C 13 20.55994 0.01 . 1 . . . . . 304 VAL CG2 . 50919 1
61 . 1 . 1 80 80 ALA HB1 H 1 0.08426 0.002 . 1 . . . . . 305 ALA MB . 50919 1
62 . 1 . 1 80 80 ALA HB2 H 1 0.08426 0.002 . 1 . . . . . 305 ALA MB . 50919 1
63 . 1 . 1 80 80 ALA HB3 H 1 0.08426 0.002 . 1 . . . . . 305 ALA MB . 50919 1
64 . 1 . 1 80 80 ALA CB C 13 22.73193 0.01 . 1 . . . . . 305 ALA CB . 50919 1
65 . 1 . 1 84 84 LEU HD21 H 1 0.52484 0.002 . 1 . . . . . 309 LEU MD2 . 50919 1
66 . 1 . 1 84 84 LEU HD22 H 1 0.52484 0.002 . 1 . . . . . 309 LEU MD2 . 50919 1
67 . 1 . 1 84 84 LEU HD23 H 1 0.52484 0.002 . 1 . . . . . 309 LEU MD2 . 50919 1
68 . 1 . 1 84 84 LEU CD2 C 13 23.05203 0.01 . 1 . . . . . 309 LEU CD2 . 50919 1
69 . 1 . 1 85 85 ILE HD11 H 1 0.81528 0.002 . 1 . . . . . 310 ILE MD . 50919 1
70 . 1 . 1 85 85 ILE HD12 H 1 0.81528 0.002 . 1 . . . . . 310 ILE MD . 50919 1
71 . 1 . 1 85 85 ILE HD13 H 1 0.81528 0.002 . 1 . . . . . 310 ILE MD . 50919 1
72 . 1 . 1 85 85 ILE CD1 C 13 14.18122 0.01 . 1 . . . . . 310 ILE CD1 . 50919 1
73 . 1 . 1 98 98 ALA HB1 H 1 0.21434 0.002 . 1 . . . . . 323 ALA MB . 50919 1
74 . 1 . 1 98 98 ALA HB2 H 1 0.21434 0.002 . 1 . . . . . 323 ALA MB . 50919 1
75 . 1 . 1 98 98 ALA HB3 H 1 0.21434 0.002 . 1 . . . . . 323 ALA MB . 50919 1
76 . 1 . 1 98 98 ALA CB C 13 18.10341 0.01 . 1 . . . . . 323 ALA CB . 50919 1
77 . 1 . 1 99 99 ALA HB1 H 1 1.18601 0.002 . 1 . . . . . 324 ALA MB . 50919 1
78 . 1 . 1 99 99 ALA HB2 H 1 1.18601 0.002 . 1 . . . . . 324 ALA MB . 50919 1
79 . 1 . 1 99 99 ALA HB3 H 1 1.18601 0.002 . 1 . . . . . 324 ALA MB . 50919 1
80 . 1 . 1 99 99 ALA CB C 13 19.51115 0.01 . 1 . . . . . 324 ALA CB . 50919 1
81 . 1 . 1 110 110 LEU HD21 H 1 1.03375 0.002 . 1 . . . . . 335 LEU MD2 . 50919 1
82 . 1 . 1 110 110 LEU HD22 H 1 1.03375 0.002 . 1 . . . . . 335 LEU MD2 . 50919 1
83 . 1 . 1 110 110 LEU HD23 H 1 1.03375 0.002 . 1 . . . . . 335 LEU MD2 . 50919 1
84 . 1 . 1 110 110 LEU CD2 C 13 26.16063 0.01 . 1 . . . . . 335 LEU CD2 . 50919 1
85 . 1 . 1 112 112 ILE HD11 H 1 0.78819 0.002 . 1 . . . . . 337 ILE MD . 50919 1
86 . 1 . 1 112 112 ILE HD12 H 1 0.78819 0.002 . 1 . . . . . 337 ILE MD . 50919 1
87 . 1 . 1 112 112 ILE HD13 H 1 0.78819 0.002 . 1 . . . . . 337 ILE MD . 50919 1
88 . 1 . 1 112 112 ILE CD1 C 13 14.46184 0.01 . 1 . . . . . 337 ILE CD1 . 50919 1
89 . 1 . 1 114 114 VAL HG21 H 1 0.78819 0.002 . 1 . . . . . 339 VAL MG2 . 50919 1
90 . 1 . 1 114 114 VAL HG22 H 1 0.78819 0.002 . 1 . . . . . 339 VAL MG2 . 50919 1
91 . 1 . 1 114 114 VAL HG23 H 1 0.78819 0.002 . 1 . . . . . 339 VAL MG2 . 50919 1
92 . 1 . 1 114 114 VAL CG2 C 13 19.47886 0.01 . 1 . . . . . 339 VAL CG2 . 50919 1
93 . 1 . 1 127 127 VAL HG21 H 1 0.73507 0.002 . 1 . . . . . 352 VAL MG2 . 50919 1
94 . 1 . 1 127 127 VAL HG22 H 1 0.73507 0.002 . 1 . . . . . 352 VAL MG2 . 50919 1
95 . 1 . 1 127 127 VAL HG23 H 1 0.73507 0.002 . 1 . . . . . 352 VAL MG2 . 50919 1
96 . 1 . 1 127 127 VAL CG2 C 13 18.98557 0.01 . 1 . . . . . 352 VAL CG2 . 50919 1
97 . 1 . 1 132 132 MET HE1 H 1 1.94982 0.002 . 1 . . . . . 357 MET ME . 50919 1
98 . 1 . 1 132 132 MET HE2 H 1 1.94982 0.002 . 1 . . . . . 357 MET ME . 50919 1
99 . 1 . 1 132 132 MET HE3 H 1 1.94982 0.002 . 1 . . . . . 357 MET ME . 50919 1
100 . 1 . 1 132 132 MET CE C 13 18.04909 0.01 . 1 . . . . . 357 MET CE . 50919 1
101 . 1 . 1 133 133 ILE HD11 H 1 0.99007 0.002 . 1 . . . . . 358 ILE MD . 50919 1
102 . 1 . 1 133 133 ILE HD12 H 1 0.99007 0.002 . 1 . . . . . 358 ILE MD . 50919 1
103 . 1 . 1 133 133 ILE HD13 H 1 0.99007 0.002 . 1 . . . . . 358 ILE MD . 50919 1
104 . 1 . 1 133 133 ILE CD1 C 13 12.86138 0.01 . 1 . . . . . 358 ILE CD1 . 50919 1
105 . 1 . 1 134 134 LEU HD21 H 1 0.77491 0.002 . 1 . . . . . 359 LEU MD2 . 50919 1
106 . 1 . 1 134 134 LEU HD22 H 1 0.77491 0.002 . 1 . . . . . 359 LEU MD2 . 50919 1
107 . 1 . 1 134 134 LEU HD23 H 1 0.77491 0.002 . 1 . . . . . 359 LEU MD2 . 50919 1
108 . 1 . 1 134 134 LEU CD2 C 13 22.16353 0.01 . 1 . . . . . 359 LEU CD2 . 50919 1
109 . 1 . 1 140 140 ALA HB1 H 1 1.40227 0.002 . 1 . . . . . 365 ALA MB . 50919 1
110 . 1 . 1 140 140 ALA HB2 H 1 1.40227 0.002 . 1 . . . . . 365 ALA MB . 50919 1
111 . 1 . 1 140 140 ALA HB3 H 1 1.40227 0.002 . 1 . . . . . 365 ALA MB . 50919 1
112 . 1 . 1 140 140 ALA CB C 13 19.26629 0.01 . 1 . . . . . 365 ALA CB . 50919 1
113 . 1 . 1 149 149 VAL HG21 H 1 0.47044 0.002 . 1 . . . . . 374 VAL MG2 . 50919 1
114 . 1 . 1 149 149 VAL HG22 H 1 0.47044 0.002 . 1 . . . . . 374 VAL MG2 . 50919 1
115 . 1 . 1 149 149 VAL HG23 H 1 0.47044 0.002 . 1 . . . . . 374 VAL MG2 . 50919 1
116 . 1 . 1 149 149 VAL CG2 C 13 19.79075 0.01 . 1 . . . . . 374 VAL CG2 . 50919 1
117 . 1 . 1 151 151 ALA HB1 H 1 1.55124 0.002 . 1 . . . . . 376 ALA MB . 50919 1
118 . 1 . 1 151 151 ALA HB2 H 1 1.55124 0.002 . 1 . . . . . 376 ALA MB . 50919 1
119 . 1 . 1 151 151 ALA HB3 H 1 1.55124 0.002 . 1 . . . . . 376 ALA MB . 50919 1
120 . 1 . 1 151 151 ALA CB C 13 25.00053 0.01 . 1 . . . . . 376 ALA CB . 50919 1
121 . 1 . 1 153 153 VAL HG21 H 1 0.95203 0.002 . 1 . . . . . 378 VAL MG2 . 50919 1
122 . 1 . 1 153 153 VAL HG22 H 1 0.95203 0.002 . 1 . . . . . 378 VAL MG2 . 50919 1
123 . 1 . 1 153 153 VAL HG23 H 1 0.95203 0.002 . 1 . . . . . 378 VAL MG2 . 50919 1
124 . 1 . 1 153 153 VAL CG2 C 13 21.20101 0.01 . 1 . . . . . 378 VAL CG2 . 50919 1
125 . 1 . 1 155 155 ALA HB1 H 1 1.59839 0.002 . 1 . . . . . 380 ALA MB . 50919 1
126 . 1 . 1 155 155 ALA HB2 H 1 1.59839 0.002 . 1 . . . . . 380 ALA MB . 50919 1
127 . 1 . 1 155 155 ALA HB3 H 1 1.59839 0.002 . 1 . . . . . 380 ALA MB . 50919 1
128 . 1 . 1 155 155 ALA CB C 13 21.50516 0.01 . 1 . . . . . 380 ALA CB . 50919 1
129 . 1 . 1 156 156 ALA HB1 H 1 1.42842 0.002 . 1 . . . . . 381 ALA MB . 50919 1
130 . 1 . 1 156 156 ALA HB2 H 1 1.42842 0.002 . 1 . . . . . 381 ALA MB . 50919 1
131 . 1 . 1 156 156 ALA HB3 H 1 1.42842 0.002 . 1 . . . . . 381 ALA MB . 50919 1
132 . 1 . 1 156 156 ALA CB C 13 19.09039 0.01 . 1 . . . . . 381 ALA CB . 50919 1
133 . 1 . 1 157 157 ALA HB1 H 1 1.07218 0.002 . 1 . . . . . 382 ALA MB . 50919 1
134 . 1 . 1 157 157 ALA HB2 H 1 1.07218 0.002 . 1 . . . . . 382 ALA MB . 50919 1
135 . 1 . 1 157 157 ALA HB3 H 1 1.07218 0.002 . 1 . . . . . 382 ALA MB . 50919 1
136 . 1 . 1 157 157 ALA CB C 13 21.38093 0.01 . 1 . . . . . 382 ALA CB . 50919 1
137 . 1 . 1 159 159 LEU HD21 H 1 0.79908 0.002 . 1 . . . . . 384 LEU MD2 . 50919 1
138 . 1 . 1 159 159 LEU HD22 H 1 0.79908 0.002 . 1 . . . . . 384 LEU MD2 . 50919 1
139 . 1 . 1 159 159 LEU HD23 H 1 0.79908 0.002 . 1 . . . . . 384 LEU MD2 . 50919 1
140 . 1 . 1 159 159 LEU CD2 C 13 22.27045 0.01 . 1 . . . . . 384 LEU CD2 . 50919 1
141 . 1 . 1 162 162 VAL HG21 H 1 0.79688 0.002 . 1 . . . . . 387 VAL MG2 . 50919 1
142 . 1 . 1 162 162 VAL HG22 H 1 0.79688 0.002 . 1 . . . . . 387 VAL MG2 . 50919 1
143 . 1 . 1 162 162 VAL HG23 H 1 0.79688 0.002 . 1 . . . . . 387 VAL MG2 . 50919 1
144 . 1 . 1 162 162 VAL CG2 C 13 21.7043 0.01 . 1 . . . . . 387 VAL CG2 . 50919 1
145 . 1 . 1 166 166 VAL HG21 H 1 0.6346 0.002 . 1 . . . . . 391 VAL MG2 . 50919 1
146 . 1 . 1 166 166 VAL HG22 H 1 0.6346 0.002 . 1 . . . . . 391 VAL MG2 . 50919 1
147 . 1 . 1 166 166 VAL HG23 H 1 0.6346 0.002 . 1 . . . . . 391 VAL MG2 . 50919 1
148 . 1 . 1 166 166 VAL CG2 C 13 18.78585 0.01 . 1 . . . . . 391 VAL CG2 . 50919 1
149 . 1 . 1 168 168 ALA HB1 H 1 -0.46386 0.002 . 1 . . . . . 393 ALA MB . 50919 1
150 . 1 . 1 168 168 ALA HB2 H 1 -0.46386 0.002 . 1 . . . . . 393 ALA MB . 50919 1
151 . 1 . 1 168 168 ALA HB3 H 1 -0.46386 0.002 . 1 . . . . . 393 ALA MB . 50919 1
152 . 1 . 1 168 168 ALA CB C 13 19.84651 0.01 . 1 . . . . . 393 ALA CB . 50919 1
153 . 1 . 1 173 173 ILE HD11 H 1 1.31438 0.002 . 1 . . . . . 398 ILE MD . 50919 1
154 . 1 . 1 173 173 ILE HD12 H 1 1.31438 0.002 . 1 . . . . . 398 ILE MD . 50919 1
155 . 1 . 1 173 173 ILE HD13 H 1 1.31438 0.002 . 1 . . . . . 398 ILE MD . 50919 1
156 . 1 . 1 173 173 ILE CD1 C 13 14.5254 0.01 . 1 . . . . . 398 ILE CD1 . 50919 1
157 . 1 . 1 180 180 ILE HD11 H 1 1.12561 0.002 . 1 . . . . . 405 ILE MD . 50919 1
158 . 1 . 1 180 180 ILE HD12 H 1 1.12561 0.002 . 1 . . . . . 405 ILE MD . 50919 1
159 . 1 . 1 180 180 ILE HD13 H 1 1.12561 0.002 . 1 . . . . . 405 ILE MD . 50919 1
160 . 1 . 1 180 180 ILE CD1 C 13 14.57824 0.01 . 1 . . . . . 405 ILE CD1 . 50919 1
161 . 1 . 1 189 189 VAL HG21 H 1 0.54315 0.002 . 1 . . . . . 414 VAL MG2 . 50919 1
162 . 1 . 1 189 189 VAL HG22 H 1 0.54315 0.002 . 1 . . . . . 414 VAL MG2 . 50919 1
163 . 1 . 1 189 189 VAL HG23 H 1 0.54315 0.002 . 1 . . . . . 414 VAL MG2 . 50919 1
164 . 1 . 1 189 189 VAL CG2 C 13 18.79137 0.01 . 1 . . . . . 414 VAL CG2 . 50919 1
165 . 1 . 1 191 191 LEU HD21 H 1 0.805 0.002 . 1 . . . . . 416 LEU MD2 . 50919 1
166 . 1 . 1 191 191 LEU HD22 H 1 0.805 0.002 . 1 . . . . . 416 LEU MD2 . 50919 1
167 . 1 . 1 191 191 LEU HD23 H 1 0.805 0.002 . 1 . . . . . 416 LEU MD2 . 50919 1
168 . 1 . 1 191 191 LEU CD2 C 13 23.53425 0.01 . 1 . . . . . 416 LEU CD2 . 50919 1
169 . 1 . 1 195 195 ILE HD11 H 1 0.83048 0.002 . 1 . . . . . 420 ILE MD . 50919 1
170 . 1 . 1 195 195 ILE HD12 H 1 0.83048 0.002 . 1 . . . . . 420 ILE MD . 50919 1
171 . 1 . 1 195 195 ILE HD13 H 1 0.83048 0.002 . 1 . . . . . 420 ILE MD . 50919 1
172 . 1 . 1 195 195 ILE CD1 C 13 14.13943 0.01 . 1 . . . . . 420 ILE CD1 . 50919 1
173 . 1 . 1 203 203 VAL HG21 H 1 0.97988 0.002 . 1 . . . . . 428 VAL MG2 . 50919 1
174 . 1 . 1 203 203 VAL HG22 H 1 0.97988 0.002 . 1 . . . . . 428 VAL MG2 . 50919 1
175 . 1 . 1 203 203 VAL HG23 H 1 0.97988 0.002 . 1 . . . . . 428 VAL MG2 . 50919 1
176 . 1 . 1 203 203 VAL CG2 C 13 20.75791 0.01 . 1 . . . . . 428 VAL CG2 . 50919 1
177 . 1 . 1 204 204 LEU HD21 H 1 0.8342 0.002 . 1 . . . . . 429 LEU MD2 . 50919 1
178 . 1 . 1 204 204 LEU HD22 H 1 0.8342 0.002 . 1 . . . . . 429 LEU MD2 . 50919 1
179 . 1 . 1 204 204 LEU HD23 H 1 0.8342 0.002 . 1 . . . . . 429 LEU MD2 . 50919 1
180 . 1 . 1 204 204 LEU CD2 C 13 26.67454 0.01 . 1 . . . . . 429 LEU CD2 . 50919 1
181 . 1 . 1 205 205 LEU HD21 H 1 0.81877 0.002 . 1 . . . . . 430 LEU MD2 . 50919 1
182 . 1 . 1 205 205 LEU HD22 H 1 0.81877 0.002 . 1 . . . . . 430 LEU MD2 . 50919 1
183 . 1 . 1 205 205 LEU HD23 H 1 0.81877 0.002 . 1 . . . . . 430 LEU MD2 . 50919 1
184 . 1 . 1 205 205 LEU CD2 C 13 26.97643 0.01 . 1 . . . . . 430 LEU CD2 . 50919 1
185 . 1 . 1 211 211 MET HE1 H 1 -0.14694 0.002 . 1 . . . . . 436 MET ME . 50919 1
186 . 1 . 1 211 211 MET HE2 H 1 -0.14694 0.002 . 1 . . . . . 436 MET ME . 50919 1
187 . 1 . 1 211 211 MET HE3 H 1 -0.14694 0.002 . 1 . . . . . 436 MET ME . 50919 1
188 . 1 . 1 211 211 MET CE C 13 16.27903 0.01 . 1 . . . . . 436 MET CE . 50919 1
189 . 1 . 1 214 214 ILE HD11 H 1 0.82765 0.002 . 1 . . . . . 439 ILE MD . 50919 1
190 . 1 . 1 214 214 ILE HD12 H 1 0.82765 0.002 . 1 . . . . . 439 ILE MD . 50919 1
191 . 1 . 1 214 214 ILE HD13 H 1 0.82765 0.002 . 1 . . . . . 439 ILE MD . 50919 1
192 . 1 . 1 214 214 ILE CD1 C 13 12.72562 0.01 . 1 . . . . . 439 ILE CD1 . 50919 1
193 . 1 . 1 217 217 ALA HB1 H 1 1.42231 0.002 . 1 . . . . . 442 ALA MB . 50919 1
194 . 1 . 1 217 217 ALA HB2 H 1 1.42231 0.002 . 1 . . . . . 442 ALA MB . 50919 1
195 . 1 . 1 217 217 ALA HB3 H 1 1.42231 0.002 . 1 . . . . . 442 ALA MB . 50919 1
196 . 1 . 1 217 217 ALA CB C 13 22.55388 0.01 . 1 . . . . . 442 ALA CB . 50919 1
197 . 1 . 1 219 219 ALA HB1 H 1 1.24906 0.002 . 1 . . . . . 444 ALA MB . 50919 1
198 . 1 . 1 219 219 ALA HB2 H 1 1.24906 0.002 . 1 . . . . . 444 ALA MB . 50919 1
199 . 1 . 1 219 219 ALA HB3 H 1 1.24906 0.002 . 1 . . . . . 444 ALA MB . 50919 1
200 . 1 . 1 219 219 ALA CB C 13 19.35828 0.01 . 1 . . . . . 444 ALA CB . 50919 1
201 . 1 . 1 221 221 ALA HB1 H 1 0.93328 0.002 . 1 . . . . . 446 ALA MB . 50919 1
202 . 1 . 1 221 221 ALA HB2 H 1 0.93328 0.002 . 1 . . . . . 446 ALA MB . 50919 1
203 . 1 . 1 221 221 ALA HB3 H 1 0.93328 0.002 . 1 . . . . . 446 ALA MB . 50919 1
204 . 1 . 1 221 221 ALA CB C 13 18.55926 0.01 . 1 . . . . . 446 ALA CB . 50919 1
205 . 1 . 1 223 223 ALA HB1 H 1 1.11633 0.002 . 1 . . . . . 448 ALA MB . 50919 1
206 . 1 . 1 223 223 ALA HB2 H 1 1.11633 0.002 . 1 . . . . . 448 ALA MB . 50919 1
207 . 1 . 1 223 223 ALA HB3 H 1 1.11633 0.002 . 1 . . . . . 448 ALA MB . 50919 1
208 . 1 . 1 223 223 ALA CB C 13 20.0065 0.01 . 1 . . . . . 448 ALA CB . 50919 1
209 . 1 . 1 224 224 ILE HD11 H 1 0.525 0.002 . 1 . . . . . 449 ILE MD . 50919 1
210 . 1 . 1 224 224 ILE HD12 H 1 0.525 0.002 . 1 . . . . . 449 ILE MD . 50919 1
211 . 1 . 1 224 224 ILE HD13 H 1 0.525 0.002 . 1 . . . . . 449 ILE MD . 50919 1
212 . 1 . 1 224 224 ILE CD1 C 13 13.84936 0.01 . 1 . . . . . 449 ILE CD1 . 50919 1
213 . 1 . 1 227 227 ALA HB1 H 1 2.04194 0.002 . 1 . . . . . 452 ALA MB . 50919 1
214 . 1 . 1 227 227 ALA HB2 H 1 2.04194 0.002 . 1 . . . . . 452 ALA MB . 50919 1
215 . 1 . 1 227 227 ALA HB3 H 1 2.04194 0.002 . 1 . . . . . 452 ALA MB . 50919 1
216 . 1 . 1 227 227 ALA CB C 13 20.05992 0.01 . 1 . . . . . 452 ALA CB . 50919 1
217 . 1 . 1 228 228 LEU HD21 H 1 0.95579 0.002 . 1 . . . . . 453 LEU MD2 . 50919 1
218 . 1 . 1 228 228 LEU HD22 H 1 0.95579 0.002 . 1 . . . . . 453 LEU MD2 . 50919 1
219 . 1 . 1 228 228 LEU HD23 H 1 0.95579 0.002 . 1 . . . . . 453 LEU MD2 . 50919 1
220 . 1 . 1 228 228 LEU CD2 C 13 23.35578 0.01 . 1 . . . . . 453 LEU CD2 . 50919 1
221 . 1 . 1 237 237 ALA HB1 H 1 1.46607 0.002 . 1 . . . . . 462 ALA MB . 50919 1
222 . 1 . 1 237 237 ALA HB2 H 1 1.46607 0.002 . 1 . . . . . 462 ALA MB . 50919 1
223 . 1 . 1 237 237 ALA HB3 H 1 1.46607 0.002 . 1 . . . . . 462 ALA MB . 50919 1
224 . 1 . 1 237 237 ALA CB C 13 18.13746 0.01 . 1 . . . . . 462 ALA CB . 50919 1
225 . 1 . 1 247 247 ALA HB1 H 1 0.7676 0.002 . 1 . . . . . 472 ALA MB . 50919 1
226 . 1 . 1 247 247 ALA HB2 H 1 0.7676 0.002 . 1 . . . . . 472 ALA MB . 50919 1
227 . 1 . 1 247 247 ALA HB3 H 1 0.7676 0.002 . 1 . . . . . 472 ALA MB . 50919 1
228 . 1 . 1 247 247 ALA CB C 13 21.56527 0.01 . 1 . . . . . 472 ALA CB . 50919 1
229 . 1 . 1 248 248 LEU HD21 H 1 -0.60822 0.002 . 1 . . . . . 473 LEU MD2 . 50919 1
230 . 1 . 1 248 248 LEU HD22 H 1 -0.60822 0.002 . 1 . . . . . 473 LEU MD2 . 50919 1
231 . 1 . 1 248 248 LEU HD23 H 1 -0.60822 0.002 . 1 . . . . . 473 LEU MD2 . 50919 1
232 . 1 . 1 248 248 LEU CD2 C 13 23.62493 0.01 . 1 . . . . . 473 LEU CD2 . 50919 1
233 . 1 . 1 249 249 LEU HD21 H 1 0.64743 0.002 . 1 . . . . . 474 LEU MD2 . 50919 1
234 . 1 . 1 249 249 LEU HD22 H 1 0.64743 0.002 . 1 . . . . . 474 LEU MD2 . 50919 1
235 . 1 . 1 249 249 LEU HD23 H 1 0.64743 0.002 . 1 . . . . . 474 LEU MD2 . 50919 1
236 . 1 . 1 249 249 LEU CD2 C 13 25.35191 0.01 . 1 . . . . . 474 LEU CD2 . 50919 1
237 . 1 . 1 250 250 LEU HD21 H 1 0.62712 0.002 . 1 . . . . . 475 LEU MD2 . 50919 1
238 . 1 . 1 250 250 LEU HD22 H 1 0.62712 0.002 . 1 . . . . . 475 LEU MD2 . 50919 1
239 . 1 . 1 250 250 LEU HD23 H 1 0.62712 0.002 . 1 . . . . . 475 LEU MD2 . 50919 1
240 . 1 . 1 250 250 LEU CD2 C 13 25.62377 0.01 . 1 . . . . . 475 LEU CD2 . 50919 1
241 . 1 . 1 266 266 LEU HD21 H 1 0.7924 0.002 . 1 . . . . . 491 LEU MD2 . 50919 1
242 . 1 . 1 266 266 LEU HD22 H 1 0.7924 0.002 . 1 . . . . . 491 LEU MD2 . 50919 1
243 . 1 . 1 266 266 LEU HD23 H 1 0.7924 0.002 . 1 . . . . . 491 LEU MD2 . 50919 1
244 . 1 . 1 266 266 LEU CD2 C 13 26.53638 0.01 . 1 . . . . . 491 LEU CD2 . 50919 1
245 . 1 . 1 272 272 ILE HD11 H 1 0.66019 0.002 . 1 . . . . . 497 ILE MD . 50919 1
246 . 1 . 1 272 272 ILE HD12 H 1 0.66019 0.002 . 1 . . . . . 497 ILE MD . 50919 1
247 . 1 . 1 272 272 ILE HD13 H 1 0.66019 0.002 . 1 . . . . . 497 ILE MD . 50919 1
248 . 1 . 1 272 272 ILE CD1 C 13 12.67508 0.01 . 1 . . . . . 497 ILE CD1 . 50919 1
249 . 1 . 1 274 274 LEU HD21 H 1 -0.18313 0.002 . 1 . . . . . 499 LEU MD2 . 50919 1
250 . 1 . 1 274 274 LEU HD22 H 1 -0.18313 0.002 . 1 . . . . . 499 LEU MD2 . 50919 1
251 . 1 . 1 274 274 LEU HD23 H 1 -0.18313 0.002 . 1 . . . . . 499 LEU MD2 . 50919 1
252 . 1 . 1 274 274 LEU CD2 C 13 26.87036 0.01 . 1 . . . . . 499 LEU CD2 . 50919 1
253 . 1 . 1 282 282 LEU HD21 H 1 0.57988 0.002 . 1 . . . . . 507 LEU MD2 . 50919 1
254 . 1 . 1 282 282 LEU HD22 H 1 0.57988 0.002 . 1 . . . . . 507 LEU MD2 . 50919 1
255 . 1 . 1 282 282 LEU HD23 H 1 0.57988 0.002 . 1 . . . . . 507 LEU MD2 . 50919 1
256 . 1 . 1 282 282 LEU CD2 C 13 26.7676 0.01 . 1 . . . . . 507 LEU CD2 . 50919 1
257 . 1 . 1 289 289 ILE HD11 H 1 0.63005 0.002 . 1 . . . . . 514 ILE MD . 50919 1
258 . 1 . 1 289 289 ILE HD12 H 1 0.63005 0.002 . 1 . . . . . 514 ILE MD . 50919 1
259 . 1 . 1 289 289 ILE HD13 H 1 0.63005 0.002 . 1 . . . . . 514 ILE MD . 50919 1
260 . 1 . 1 289 289 ILE CD1 C 13 12.62757 0.01 . 1 . . . . . 514 ILE CD1 . 50919 1
261 . 1 . 1 292 292 VAL HG21 H 1 0.6224 0.002 . 1 . . . . . 517 VAL MG2 . 50919 1
262 . 1 . 1 292 292 VAL HG22 H 1 0.6224 0.002 . 1 . . . . . 517 VAL MG2 . 50919 1
263 . 1 . 1 292 292 VAL HG23 H 1 0.6224 0.002 . 1 . . . . . 517 VAL MG2 . 50919 1
264 . 1 . 1 292 292 VAL CG2 C 13 21.88549 0.01 . 1 . . . . . 517 VAL CG2 . 50919 1
265 . 1 . 1 293 293 VAL HG21 H 1 0.77634 0.002 . 1 . . . . . 518 VAL MG2 . 50919 1
266 . 1 . 1 293 293 VAL HG22 H 1 0.77634 0.002 . 1 . . . . . 518 VAL MG2 . 50919 1
267 . 1 . 1 293 293 VAL HG23 H 1 0.77634 0.002 . 1 . . . . . 518 VAL MG2 . 50919 1
268 . 1 . 1 293 293 VAL CG2 C 13 20.70217 0.01 . 1 . . . . . 518 VAL CG2 . 50919 1
269 . 1 . 1 296 296 VAL HG21 H 1 0.29173 0.002 . 1 . . . . . 521 VAL MG2 . 50919 1
270 . 1 . 1 296 296 VAL HG22 H 1 0.29173 0.002 . 1 . . . . . 521 VAL MG2 . 50919 1
271 . 1 . 1 296 296 VAL HG23 H 1 0.29173 0.002 . 1 . . . . . 521 VAL MG2 . 50919 1
272 . 1 . 1 296 296 VAL CG2 C 13 17.14183 0.01 . 1 . . . . . 521 VAL CG2 . 50919 1
273 . 1 . 1 305 305 VAL HG21 H 1 1.19804 0.002 . 1 . . . . . 530 VAL MG2 . 50919 1
274 . 1 . 1 305 305 VAL HG22 H 1 1.19804 0.002 . 1 . . . . . 530 VAL MG2 . 50919 1
275 . 1 . 1 305 305 VAL HG23 H 1 1.19804 0.002 . 1 . . . . . 530 VAL MG2 . 50919 1
276 . 1 . 1 305 305 VAL CG2 C 13 21.39881 0.01 . 1 . . . . . 530 VAL CG2 . 50919 1
stop_
save_