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 50919
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name 'PD without 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 2
2 '4D 1H-13C HMQC-NOESY-HMQC' . . . 50919 2
3 '2D 1H-13C HMQC' . . . 50919 2
4 '2D 1H-13C HMQC' . . . 50919 2
5 '2D 1H-13C HMQC' . . . 50919 2
6 '2D 1H-13C HMQC' . . . 50919 2
7 '2D 1H-13C HMQC' . . . 50919 2
8 '2D 1H-13C HMQC' . . . 50919 2
9 '2D 1H-13C HMQC' . . . 50919 2
10 '2D 1H-13C HMQC' . . . 50919 2
11 '2D 1H-13C HMQC' . . . 50919 2
12 '2D 1H-13C HMQC' . . . 50919 2
13 '2D 1H-13C HMQC' . . . 50919 2
14 '2D 1H-13C HMQC' . . . 50919 2
15 '2D 1H-13C HMQC' . . . 50919 2
16 '2D 1H-13C HMQC' . . . 50919 2
17 '2D 1H-13C HMQC' . . . 50919 2
18 '2D 1H-13C HMQC' . . . 50919 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 . . 50919 2
2 $software_2 . . 50919 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 4 4 MET HE1 H 1 1.59395 0.002 . 1 . . . . . 229 MET ME . 50919 2
2 . 1 . 1 4 4 MET HE2 H 1 1.59395 0.002 . 1 . . . . . 229 MET ME . 50919 2
3 . 1 . 1 4 4 MET HE3 H 1 1.59395 0.002 . 1 . . . . . 229 MET ME . 50919 2
4 . 1 . 1 4 4 MET CE C 13 16.93945 0.01 . 1 . . . . . 229 MET CE . 50919 2
5 . 1 . 1 5 5 VAL HG21 H 1 0.69434 0.002 . 1 . . . . . 230 VAL MG2 . 50919 2
6 . 1 . 1 5 5 VAL HG22 H 1 0.69434 0.002 . 1 . . . . . 230 VAL MG2 . 50919 2
7 . 1 . 1 5 5 VAL HG23 H 1 0.69434 0.002 . 1 . . . . . 230 VAL MG2 . 50919 2
8 . 1 . 1 5 5 VAL CG2 C 13 22.17271 0.01 . 1 . . . . . 230 VAL CG2 . 50919 2
9 . 1 . 1 7 7 LEU HD21 H 1 0.2845 0.002 . 1 . . . . . 232 LEU MD2 . 50919 2
10 . 1 . 1 7 7 LEU HD22 H 1 0.2845 0.002 . 1 . . . . . 232 LEU MD2 . 50919 2
11 . 1 . 1 7 7 LEU HD23 H 1 0.2845 0.002 . 1 . . . . . 232 LEU MD2 . 50919 2
12 . 1 . 1 7 7 LEU CD2 C 13 22.49378 0.01 . 1 . . . . . 232 LEU CD2 . 50919 2
13 . 1 . 1 9 9 VAL HG21 H 1 0.8413 0.002 . 1 . . . . . 234 VAL MG2 . 50919 2
14 . 1 . 1 9 9 VAL HG22 H 1 0.8413 0.002 . 1 . . . . . 234 VAL MG2 . 50919 2
15 . 1 . 1 9 9 VAL HG23 H 1 0.8413 0.002 . 1 . . . . . 234 VAL MG2 . 50919 2
16 . 1 . 1 9 9 VAL CG2 C 13 20.287 0.01 . 1 . . . . . 234 VAL CG2 . 50919 2
17 . 1 . 1 10 10 ILE HD11 H 1 0.58187 0.002 . 1 . . . . . 235 ILE MD . 50919 2
18 . 1 . 1 10 10 ILE HD12 H 1 0.58187 0.002 . 1 . . . . . 235 ILE MD . 50919 2
19 . 1 . 1 10 10 ILE HD13 H 1 0.58187 0.002 . 1 . . . . . 235 ILE MD . 50919 2
20 . 1 . 1 10 10 ILE CD1 C 13 13.71879 0.01 . 1 . . . . . 235 ILE CD1 . 50919 2
21 . 1 . 1 27 27 LEU HD21 H 1 0.49912 0.002 . 1 . . . . . 252 LEU MD2 . 50919 2
22 . 1 . 1 27 27 LEU HD22 H 1 0.49912 0.002 . 1 . . . . . 252 LEU MD2 . 50919 2
23 . 1 . 1 27 27 LEU HD23 H 1 0.49912 0.002 . 1 . . . . . 252 LEU MD2 . 50919 2
24 . 1 . 1 27 27 LEU CD2 C 13 26.08915 0.01 . 1 . . . . . 252 LEU CD2 . 50919 2
25 . 1 . 1 29 29 VAL HG21 H 1 0.38145 0.002 . 1 . . . . . 254 VAL MG2 . 50919 2
26 . 1 . 1 29 29 VAL HG22 H 1 0.38145 0.002 . 1 . . . . . 254 VAL MG2 . 50919 2
27 . 1 . 1 29 29 VAL HG23 H 1 0.38145 0.002 . 1 . . . . . 254 VAL MG2 . 50919 2
28 . 1 . 1 29 29 VAL CG2 C 13 19.16748 0.01 . 1 . . . . . 254 VAL CG2 . 50919 2
29 . 1 . 1 44 44 VAL HG21 H 1 1.34739 0.002 . 1 . . . . . 269 VAL MG2 . 50919 2
30 . 1 . 1 44 44 VAL HG22 H 1 1.34739 0.002 . 1 . . . . . 269 VAL MG2 . 50919 2
31 . 1 . 1 44 44 VAL HG23 H 1 1.34739 0.002 . 1 . . . . . 269 VAL MG2 . 50919 2
32 . 1 . 1 44 44 VAL CG2 C 13 20.71399 0.01 . 1 . . . . . 269 VAL CG2 . 50919 2
33 . 1 . 1 46 46 VAL HG21 H 1 0.64892 0.002 . 1 . . . . . 271 VAL MG2 . 50919 2
34 . 1 . 1 46 46 VAL HG22 H 1 0.64892 0.002 . 1 . . . . . 271 VAL MG2 . 50919 2
35 . 1 . 1 46 46 VAL HG23 H 1 0.64892 0.002 . 1 . . . . . 271 VAL MG2 . 50919 2
36 . 1 . 1 46 46 VAL CG2 C 13 23.15501 0.01 . 1 . . . . . 271 VAL CG2 . 50919 2
37 . 1 . 1 50 50 LEU HD21 H 1 0.69838 0.002 . 1 . . . . . 275 LEU MD2 . 50919 2
38 . 1 . 1 50 50 LEU HD22 H 1 0.69838 0.002 . 1 . . . . . 275 LEU MD2 . 50919 2
39 . 1 . 1 50 50 LEU HD23 H 1 0.69838 0.002 . 1 . . . . . 275 LEU MD2 . 50919 2
40 . 1 . 1 50 50 LEU CD2 C 13 23.61784 0.01 . 1 . . . . . 275 LEU CD2 . 50919 2
41 . 1 . 1 56 56 ILE HD11 H 1 0.68942 0.002 . 1 . . . . . 281 ILE MD . 50919 2
42 . 1 . 1 56 56 ILE HD12 H 1 0.68942 0.002 . 1 . . . . . 281 ILE MD . 50919 2
43 . 1 . 1 56 56 ILE HD13 H 1 0.68942 0.002 . 1 . . . . . 281 ILE MD . 50919 2
44 . 1 . 1 56 56 ILE CD1 C 13 11.893 0.01 . 1 . . . . . 281 ILE CD1 . 50919 2
45 . 1 . 1 66 66 ALA HB1 H 1 1.27709 0.002 . 1 . . . . . 291 ALA MB . 50919 2
46 . 1 . 1 66 66 ALA HB2 H 1 1.27709 0.002 . 1 . . . . . 291 ALA MB . 50919 2
47 . 1 . 1 66 66 ALA HB3 H 1 1.27709 0.002 . 1 . . . . . 291 ALA MB . 50919 2
48 . 1 . 1 66 66 ALA CB C 13 24.47212 0.01 . 1 . . . . . 291 ALA CB . 50919 2
49 . 1 . 1 68 68 ALA HB1 H 1 1.07752 0.002 . 1 . . . . . 293 ALA MB . 50919 2
50 . 1 . 1 68 68 ALA HB2 H 1 1.07752 0.002 . 1 . . . . . 293 ALA MB . 50919 2
51 . 1 . 1 68 68 ALA HB3 H 1 1.07752 0.002 . 1 . . . . . 293 ALA MB . 50919 2
52 . 1 . 1 68 68 ALA CB C 13 24.1714 0.01 . 1 . . . . . 293 ALA CB . 50919 2
53 . 1 . 1 69 69 ALA HB1 H 1 1.18975 0.002 . 1 . . . . . 294 ALA MB . 50919 2
54 . 1 . 1 69 69 ALA HB2 H 1 1.18975 0.002 . 1 . . . . . 294 ALA MB . 50919 2
55 . 1 . 1 69 69 ALA HB3 H 1 1.18975 0.002 . 1 . . . . . 294 ALA MB . 50919 2
56 . 1 . 1 69 69 ALA CB C 13 21.1731 0.01 . 1 . . . . . 294 ALA CB . 50919 2
57 . 1 . 1 79 79 VAL HG21 H 1 0.84937 0.002 . 1 . . . . . 304 VAL MG2 . 50919 2
58 . 1 . 1 79 79 VAL HG22 H 1 0.84937 0.002 . 1 . . . . . 304 VAL MG2 . 50919 2
59 . 1 . 1 79 79 VAL HG23 H 1 0.84937 0.002 . 1 . . . . . 304 VAL MG2 . 50919 2
60 . 1 . 1 79 79 VAL CG2 C 13 20.55994 0.01 . 1 . . . . . 304 VAL CG2 . 50919 2
61 . 1 . 1 80 80 ALA HB1 H 1 0.08426 0.002 . 1 . . . . . 305 ALA MB . 50919 2
62 . 1 . 1 80 80 ALA HB2 H 1 0.08426 0.002 . 1 . . . . . 305 ALA MB . 50919 2
63 . 1 . 1 80 80 ALA HB3 H 1 0.08426 0.002 . 1 . . . . . 305 ALA MB . 50919 2
64 . 1 . 1 80 80 ALA CB C 13 22.73193 0.01 . 1 . . . . . 305 ALA CB . 50919 2
65 . 1 . 1 84 84 LEU HD21 H 1 0.52484 0.002 . 1 . . . . . 309 LEU MD2 . 50919 2
66 . 1 . 1 84 84 LEU HD22 H 1 0.52484 0.002 . 1 . . . . . 309 LEU MD2 . 50919 2
67 . 1 . 1 84 84 LEU HD23 H 1 0.52484 0.002 . 1 . . . . . 309 LEU MD2 . 50919 2
68 . 1 . 1 84 84 LEU CD2 C 13 23.05203 0.01 . 1 . . . . . 309 LEU CD2 . 50919 2
69 . 1 . 1 85 85 ILE HD11 H 1 0.81528 0.002 . 1 . . . . . 310 ILE MD . 50919 2
70 . 1 . 1 85 85 ILE HD12 H 1 0.81528 0.002 . 1 . . . . . 310 ILE MD . 50919 2
71 . 1 . 1 85 85 ILE HD13 H 1 0.81528 0.002 . 1 . . . . . 310 ILE MD . 50919 2
72 . 1 . 1 85 85 ILE CD1 C 13 14.18122 0.01 . 1 . . . . . 310 ILE CD1 . 50919 2
73 . 1 . 1 98 98 ALA HB1 H 1 0.21434 0.002 . 1 . . . . . 323 ALA MB . 50919 2
74 . 1 . 1 98 98 ALA HB2 H 1 0.21434 0.002 . 1 . . . . . 323 ALA MB . 50919 2
75 . 1 . 1 98 98 ALA HB3 H 1 0.21434 0.002 . 1 . . . . . 323 ALA MB . 50919 2
76 . 1 . 1 98 98 ALA CB C 13 18.10341 0.01 . 1 . . . . . 323 ALA CB . 50919 2
77 . 1 . 1 99 99 ALA HB1 H 1 1.18601 0.002 . 1 . . . . . 324 ALA MB . 50919 2
78 . 1 . 1 99 99 ALA HB2 H 1 1.18601 0.002 . 1 . . . . . 324 ALA MB . 50919 2
79 . 1 . 1 99 99 ALA HB3 H 1 1.18601 0.002 . 1 . . . . . 324 ALA MB . 50919 2
80 . 1 . 1 99 99 ALA CB C 13 19.51115 0.01 . 1 . . . . . 324 ALA CB . 50919 2
81 . 1 . 1 110 110 LEU HD21 H 1 1.03375 0.002 . 1 . . . . . 335 LEU MD2 . 50919 2
82 . 1 . 1 110 110 LEU HD22 H 1 1.03375 0.002 . 1 . . . . . 335 LEU MD2 . 50919 2
83 . 1 . 1 110 110 LEU HD23 H 1 1.03375 0.002 . 1 . . . . . 335 LEU MD2 . 50919 2
84 . 1 . 1 110 110 LEU CD2 C 13 26.16063 0.01 . 1 . . . . . 335 LEU CD2 . 50919 2
85 . 1 . 1 112 112 ILE HD11 H 1 0.78819 0.002 . 1 . . . . . 337 ILE MD . 50919 2
86 . 1 . 1 112 112 ILE HD12 H 1 0.78819 0.002 . 1 . . . . . 337 ILE MD . 50919 2
87 . 1 . 1 112 112 ILE HD13 H 1 0.78819 0.002 . 1 . . . . . 337 ILE MD . 50919 2
88 . 1 . 1 112 112 ILE CD1 C 13 14.46184 0.01 . 1 . . . . . 337 ILE CD1 . 50919 2
89 . 1 . 1 114 114 VAL HG21 H 1 0.78819 0.002 . 1 . . . . . 339 VAL MG2 . 50919 2
90 . 1 . 1 114 114 VAL HG22 H 1 0.78819 0.002 . 1 . . . . . 339 VAL MG2 . 50919 2
91 . 1 . 1 114 114 VAL HG23 H 1 0.78819 0.002 . 1 . . . . . 339 VAL MG2 . 50919 2
92 . 1 . 1 114 114 VAL CG2 C 13 19.47886 0.01 . 1 . . . . . 339 VAL CG2 . 50919 2
93 . 1 . 1 127 127 VAL HG21 H 1 0.73507 0.002 . 1 . . . . . 352 VAL MG2 . 50919 2
94 . 1 . 1 127 127 VAL HG22 H 1 0.73507 0.002 . 1 . . . . . 352 VAL MG2 . 50919 2
95 . 1 . 1 127 127 VAL HG23 H 1 0.73507 0.002 . 1 . . . . . 352 VAL MG2 . 50919 2
96 . 1 . 1 127 127 VAL CG2 C 13 18.98557 0.01 . 1 . . . . . 352 VAL CG2 . 50919 2
97 . 1 . 1 132 132 MET HE1 H 1 1.96380 0.002 . 1 . . . . . 357 MET ME . 50919 2
98 . 1 . 1 132 132 MET HE2 H 1 1.96380 0.002 . 1 . . . . . 357 MET ME . 50919 2
99 . 1 . 1 132 132 MET HE3 H 1 1.96380 0.002 . 1 . . . . . 357 MET ME . 50919 2
100 . 1 . 1 132 132 MET CE C 13 17.92960 0.01 . 1 . . . . . 357 MET CE . 50919 2
101 . 1 . 1 133 133 ILE HD11 H 1 0.96144 0.002 . 1 . . . . . 358 ILE MD . 50919 2
102 . 1 . 1 133 133 ILE HD12 H 1 0.96144 0.002 . 1 . . . . . 358 ILE MD . 50919 2
103 . 1 . 1 133 133 ILE HD13 H 1 0.96144 0.002 . 1 . . . . . 358 ILE MD . 50919 2
104 . 1 . 1 133 133 ILE CD1 C 13 12.87314 0.01 . 1 . . . . . 358 ILE CD1 . 50919 2
105 . 1 . 1 134 134 LEU HD21 H 1 0.77491 0.002 . 1 . . . . . 359 LEU MD2 . 50919 2
106 . 1 . 1 134 134 LEU HD22 H 1 0.77491 0.002 . 1 . . . . . 359 LEU MD2 . 50919 2
107 . 1 . 1 134 134 LEU HD23 H 1 0.77491 0.002 . 1 . . . . . 359 LEU MD2 . 50919 2
108 . 1 . 1 134 134 LEU CD2 C 13 22.16353 0.01 . 1 . . . . . 359 LEU CD2 . 50919 2
109 . 1 . 1 140 140 ALA HB1 H 1 1.19968 0.002 . 1 . . . . . 365 ALA MB . 50919 2
110 . 1 . 1 140 140 ALA HB2 H 1 1.19968 0.002 . 1 . . . . . 365 ALA MB . 50919 2
111 . 1 . 1 140 140 ALA HB3 H 1 1.19968 0.002 . 1 . . . . . 365 ALA MB . 50919 2
112 . 1 . 1 140 140 ALA CB C 13 19.20689 0.01 . 1 . . . . . 365 ALA CB . 50919 2
113 . 1 . 1 149 149 VAL HG21 H 1 0.49447 0.002 . 1 . . . . . 374 VAL MG2 . 50919 2
114 . 1 . 1 149 149 VAL HG22 H 1 0.49447 0.002 . 1 . . . . . 374 VAL MG2 . 50919 2
115 . 1 . 1 149 149 VAL HG23 H 1 0.49447 0.002 . 1 . . . . . 374 VAL MG2 . 50919 2
116 . 1 . 1 149 149 VAL CG2 C 13 20.02797 0.01 . 1 . . . . . 374 VAL CG2 . 50919 2
117 . 1 . 1 151 151 ALA HB1 H 1 1.55124 0.002 . 1 . . . . . 376 ALA MB . 50919 2
118 . 1 . 1 151 151 ALA HB2 H 1 1.55124 0.002 . 1 . . . . . 376 ALA MB . 50919 2
119 . 1 . 1 151 151 ALA HB3 H 1 1.55124 0.002 . 1 . . . . . 376 ALA MB . 50919 2
120 . 1 . 1 151 151 ALA CB C 13 25.00053 0.01 . 1 . . . . . 376 ALA CB . 50919 2
121 . 1 . 1 153 153 VAL HG21 H 1 0.95203 0.002 . 1 . . . . . 378 VAL MG2 . 50919 2
122 . 1 . 1 153 153 VAL HG22 H 1 0.95203 0.002 . 1 . . . . . 378 VAL MG2 . 50919 2
123 . 1 . 1 153 153 VAL HG23 H 1 0.95203 0.002 . 1 . . . . . 378 VAL MG2 . 50919 2
124 . 1 . 1 153 153 VAL CG2 C 13 21.20101 0.01 . 1 . . . . . 378 VAL CG2 . 50919 2
125 . 1 . 1 155 155 ALA HB1 H 1 1.59839 0.002 . 1 . . . . . 380 ALA MB . 50919 2
126 . 1 . 1 155 155 ALA HB2 H 1 1.59839 0.002 . 1 . . . . . 380 ALA MB . 50919 2
127 . 1 . 1 155 155 ALA HB3 H 1 1.59839 0.002 . 1 . . . . . 380 ALA MB . 50919 2
128 . 1 . 1 155 155 ALA CB C 13 21.50516 0.01 . 1 . . . . . 380 ALA CB . 50919 2
129 . 1 . 1 156 156 ALA HB1 H 1 1.42842 0.002 . 1 . . . . . 381 ALA MB . 50919 2
130 . 1 . 1 156 156 ALA HB2 H 1 1.42842 0.002 . 1 . . . . . 381 ALA MB . 50919 2
131 . 1 . 1 156 156 ALA HB3 H 1 1.42842 0.002 . 1 . . . . . 381 ALA MB . 50919 2
132 . 1 . 1 156 156 ALA CB C 13 19.09039 0.01 . 1 . . . . . 381 ALA CB . 50919 2
133 . 1 . 1 157 157 ALA HB1 H 1 1.07218 0.002 . 1 . . . . . 382 ALA MB . 50919 2
134 . 1 . 1 157 157 ALA HB2 H 1 1.07218 0.002 . 1 . . . . . 382 ALA MB . 50919 2
135 . 1 . 1 157 157 ALA HB3 H 1 1.07218 0.002 . 1 . . . . . 382 ALA MB . 50919 2
136 . 1 . 1 157 157 ALA CB C 13 21.38093 0.01 . 1 . . . . . 382 ALA CB . 50919 2
137 . 1 . 1 159 159 LEU HD21 H 1 0.79908 0.002 . 1 . . . . . 384 LEU MD2 . 50919 2
138 . 1 . 1 159 159 LEU HD22 H 1 0.79908 0.002 . 1 . . . . . 384 LEU MD2 . 50919 2
139 . 1 . 1 159 159 LEU HD23 H 1 0.79908 0.002 . 1 . . . . . 384 LEU MD2 . 50919 2
140 . 1 . 1 159 159 LEU CD2 C 13 22.27045 0.01 . 1 . . . . . 384 LEU CD2 . 50919 2
141 . 1 . 1 162 162 VAL HG21 H 1 0.79688 0.002 . 1 . . . . . 387 VAL MG2 . 50919 2
142 . 1 . 1 162 162 VAL HG22 H 1 0.79688 0.002 . 1 . . . . . 387 VAL MG2 . 50919 2
143 . 1 . 1 162 162 VAL HG23 H 1 0.79688 0.002 . 1 . . . . . 387 VAL MG2 . 50919 2
144 . 1 . 1 162 162 VAL CG2 C 13 21.7043 0.01 . 1 . . . . . 387 VAL CG2 . 50919 2
145 . 1 . 1 166 166 VAL HG21 H 1 0.6346 0.002 . 1 . . . . . 391 VAL MG2 . 50919 2
146 . 1 . 1 166 166 VAL HG22 H 1 0.6346 0.002 . 1 . . . . . 391 VAL MG2 . 50919 2
147 . 1 . 1 166 166 VAL HG23 H 1 0.6346 0.002 . 1 . . . . . 391 VAL MG2 . 50919 2
148 . 1 . 1 166 166 VAL CG2 C 13 18.78585 0.01 . 1 . . . . . 391 VAL CG2 . 50919 2
149 . 1 . 1 168 168 ALA HB1 H 1 -0.46386 0.002 . 1 . . . . . 393 ALA MB . 50919 2
150 . 1 . 1 168 168 ALA HB2 H 1 -0.46386 0.002 . 1 . . . . . 393 ALA MB . 50919 2
151 . 1 . 1 168 168 ALA HB3 H 1 -0.46386 0.002 . 1 . . . . . 393 ALA MB . 50919 2
152 . 1 . 1 168 168 ALA CB C 13 19.84651 0.01 . 1 . . . . . 393 ALA CB . 50919 2
153 . 1 . 1 173 173 ILE HD11 H 1 1.27991 0.002 . 1 . . . . . 398 ILE MD . 50919 2
154 . 1 . 1 173 173 ILE HD12 H 1 1.27991 0.002 . 1 . . . . . 398 ILE MD . 50919 2
155 . 1 . 1 173 173 ILE HD13 H 1 1.27991 0.002 . 1 . . . . . 398 ILE MD . 50919 2
156 . 1 . 1 173 173 ILE CD1 C 13 14.66397 0.01 . 1 . . . . . 398 ILE CD1 . 50919 2
157 . 1 . 1 180 180 ILE HD11 H 1 1.12051 0.002 . 1 . . . . . 405 ILE MD . 50919 2
158 . 1 . 1 180 180 ILE HD12 H 1 1.12051 0.002 . 1 . . . . . 405 ILE MD . 50919 2
159 . 1 . 1 180 180 ILE HD13 H 1 1.12051 0.002 . 1 . . . . . 405 ILE MD . 50919 2
160 . 1 . 1 180 180 ILE CD1 C 13 14.66178 0.01 . 1 . . . . . 405 ILE CD1 . 50919 2
161 . 1 . 1 189 189 VAL HG21 H 1 0.54715 0.002 . 1 . . . . . 414 VAL MG2 . 50919 2
162 . 1 . 1 189 189 VAL HG22 H 1 0.54715 0.002 . 1 . . . . . 414 VAL MG2 . 50919 2
163 . 1 . 1 189 189 VAL HG23 H 1 0.54715 0.002 . 1 . . . . . 414 VAL MG2 . 50919 2
164 . 1 . 1 189 189 VAL CG2 C 13 18.94585 0.01 . 1 . . . . . 414 VAL CG2 . 50919 2
165 . 1 . 1 191 191 LEU HD21 H 1 0.805 0.002 . 1 . . . . . 416 LEU MD2 . 50919 2
166 . 1 . 1 191 191 LEU HD22 H 1 0.805 0.002 . 1 . . . . . 416 LEU MD2 . 50919 2
167 . 1 . 1 191 191 LEU HD23 H 1 0.805 0.002 . 1 . . . . . 416 LEU MD2 . 50919 2
168 . 1 . 1 191 191 LEU CD2 C 13 23.53425 0.01 . 1 . . . . . 416 LEU CD2 . 50919 2
169 . 1 . 1 195 195 ILE HD11 H 1 0.83048 0.002 . 1 . . . . . 420 ILE MD . 50919 2
170 . 1 . 1 195 195 ILE HD12 H 1 0.83048 0.002 . 1 . . . . . 420 ILE MD . 50919 2
171 . 1 . 1 195 195 ILE HD13 H 1 0.83048 0.002 . 1 . . . . . 420 ILE MD . 50919 2
172 . 1 . 1 195 195 ILE CD1 C 13 14.13943 0.01 . 1 . . . . . 420 ILE CD1 . 50919 2
173 . 1 . 1 203 203 VAL HG21 H 1 0.97988 0.002 . 1 . . . . . 428 VAL MG2 . 50919 2
174 . 1 . 1 203 203 VAL HG22 H 1 0.97988 0.002 . 1 . . . . . 428 VAL MG2 . 50919 2
175 . 1 . 1 203 203 VAL HG23 H 1 0.97988 0.002 . 1 . . . . . 428 VAL MG2 . 50919 2
176 . 1 . 1 203 203 VAL CG2 C 13 20.75791 0.01 . 1 . . . . . 428 VAL CG2 . 50919 2
177 . 1 . 1 204 204 LEU HD21 H 1 0.8342 0.002 . 1 . . . . . 429 LEU MD2 . 50919 2
178 . 1 . 1 204 204 LEU HD22 H 1 0.8342 0.002 . 1 . . . . . 429 LEU MD2 . 50919 2
179 . 1 . 1 204 204 LEU HD23 H 1 0.8342 0.002 . 1 . . . . . 429 LEU MD2 . 50919 2
180 . 1 . 1 204 204 LEU CD2 C 13 26.67454 0.01 . 1 . . . . . 429 LEU CD2 . 50919 2
181 . 1 . 1 205 205 LEU HD21 H 1 0.81877 0.002 . 1 . . . . . 430 LEU MD2 . 50919 2
182 . 1 . 1 205 205 LEU HD22 H 1 0.81877 0.002 . 1 . . . . . 430 LEU MD2 . 50919 2
183 . 1 . 1 205 205 LEU HD23 H 1 0.81877 0.002 . 1 . . . . . 430 LEU MD2 . 50919 2
184 . 1 . 1 205 205 LEU CD2 C 13 26.97643 0.01 . 1 . . . . . 430 LEU CD2 . 50919 2
185 . 1 . 1 211 211 MET HE1 H 1 -0.14694 0.002 . 1 . . . . . 436 MET ME . 50919 2
186 . 1 . 1 211 211 MET HE2 H 1 -0.14694 0.002 . 1 . . . . . 436 MET ME . 50919 2
187 . 1 . 1 211 211 MET HE3 H 1 -0.14694 0.002 . 1 . . . . . 436 MET ME . 50919 2
188 . 1 . 1 211 211 MET CE C 13 16.27903 0.01 . 1 . . . . . 436 MET CE . 50919 2
189 . 1 . 1 214 214 ILE HD11 H 1 0.82765 0.002 . 1 . . . . . 439 ILE MD . 50919 2
190 . 1 . 1 214 214 ILE HD12 H 1 0.82765 0.002 . 1 . . . . . 439 ILE MD . 50919 2
191 . 1 . 1 214 214 ILE HD13 H 1 0.82765 0.002 . 1 . . . . . 439 ILE MD . 50919 2
192 . 1 . 1 214 214 ILE CD1 C 13 12.72562 0.01 . 1 . . . . . 439 ILE CD1 . 50919 2
193 . 1 . 1 217 217 ALA HB1 H 1 1.42231 0.002 . 1 . . . . . 442 ALA MB . 50919 2
194 . 1 . 1 217 217 ALA HB2 H 1 1.42231 0.002 . 1 . . . . . 442 ALA MB . 50919 2
195 . 1 . 1 217 217 ALA HB3 H 1 1.42231 0.002 . 1 . . . . . 442 ALA MB . 50919 2
196 . 1 . 1 217 217 ALA CB C 13 22.55388 0.01 . 1 . . . . . 442 ALA CB . 50919 2
197 . 1 . 1 219 219 ALA HB1 H 1 1.24906 0.002 . 1 . . . . . 444 ALA MB . 50919 2
198 . 1 . 1 219 219 ALA HB2 H 1 1.24906 0.002 . 1 . . . . . 444 ALA MB . 50919 2
199 . 1 . 1 219 219 ALA HB3 H 1 1.24906 0.002 . 1 . . . . . 444 ALA MB . 50919 2
200 . 1 . 1 219 219 ALA CB C 13 19.35828 0.01 . 1 . . . . . 444 ALA CB . 50919 2
201 . 1 . 1 221 221 ALA HB1 H 1 0.93328 0.002 . 1 . . . . . 446 ALA MB . 50919 2
202 . 1 . 1 221 221 ALA HB2 H 1 0.93328 0.002 . 1 . . . . . 446 ALA MB . 50919 2
203 . 1 . 1 221 221 ALA HB3 H 1 0.93328 0.002 . 1 . . . . . 446 ALA MB . 50919 2
204 . 1 . 1 221 221 ALA CB C 13 18.55926 0.01 . 1 . . . . . 446 ALA CB . 50919 2
205 . 1 . 1 223 223 ALA HB1 H 1 1.11633 0.002 . 1 . . . . . 448 ALA MB . 50919 2
206 . 1 . 1 223 223 ALA HB2 H 1 1.11633 0.002 . 1 . . . . . 448 ALA MB . 50919 2
207 . 1 . 1 223 223 ALA HB3 H 1 1.11633 0.002 . 1 . . . . . 448 ALA MB . 50919 2
208 . 1 . 1 223 223 ALA CB C 13 20.0065 0.01 . 1 . . . . . 448 ALA CB . 50919 2
209 . 1 . 1 224 224 ILE HD11 H 1 0.54561 0.002 . 1 . . . . . 449 ILE MD . 50919 2
210 . 1 . 1 224 224 ILE HD12 H 1 0.54561 0.002 . 1 . . . . . 449 ILE MD . 50919 2
211 . 1 . 1 224 224 ILE HD13 H 1 0.54561 0.002 . 1 . . . . . 449 ILE MD . 50919 2
212 . 1 . 1 224 224 ILE CD1 C 13 13.80513 0.01 . 1 . . . . . 449 ILE CD1 . 50919 2
213 . 1 . 1 227 227 ALA HB1 H 1 2.04194 0.002 . 1 . . . . . 452 ALA MB . 50919 2
214 . 1 . 1 227 227 ALA HB2 H 1 2.04194 0.002 . 1 . . . . . 452 ALA MB . 50919 2
215 . 1 . 1 227 227 ALA HB3 H 1 2.04194 0.002 . 1 . . . . . 452 ALA MB . 50919 2
216 . 1 . 1 227 227 ALA CB C 13 20.05992 0.01 . 1 . . . . . 452 ALA CB . 50919 2
217 . 1 . 1 228 228 LEU HD21 H 1 0.95579 0.002 . 1 . . . . . 453 LEU MD2 . 50919 2
218 . 1 . 1 228 228 LEU HD22 H 1 0.95579 0.002 . 1 . . . . . 453 LEU MD2 . 50919 2
219 . 1 . 1 228 228 LEU HD23 H 1 0.95579 0.002 . 1 . . . . . 453 LEU MD2 . 50919 2
220 . 1 . 1 228 228 LEU CD2 C 13 23.35578 0.01 . 1 . . . . . 453 LEU CD2 . 50919 2
221 . 1 . 1 237 237 ALA HB1 H 1 1.46607 0.002 . 1 . . . . . 462 ALA MB . 50919 2
222 . 1 . 1 237 237 ALA HB2 H 1 1.46607 0.002 . 1 . . . . . 462 ALA MB . 50919 2
223 . 1 . 1 237 237 ALA HB3 H 1 1.46607 0.002 . 1 . . . . . 462 ALA MB . 50919 2
224 . 1 . 1 237 237 ALA CB C 13 18.13746 0.01 . 1 . . . . . 462 ALA CB . 50919 2
225 . 1 . 1 247 247 ALA HB1 H 1 0.7676 0.002 . 1 . . . . . 472 ALA MB . 50919 2
226 . 1 . 1 247 247 ALA HB2 H 1 0.7676 0.002 . 1 . . . . . 472 ALA MB . 50919 2
227 . 1 . 1 247 247 ALA HB3 H 1 0.7676 0.002 . 1 . . . . . 472 ALA MB . 50919 2
228 . 1 . 1 247 247 ALA CB C 13 21.56527 0.01 . 1 . . . . . 472 ALA CB . 50919 2
229 . 1 . 1 248 248 LEU HD21 H 1 -0.60822 0.002 . 1 . . . . . 473 LEU MD2 . 50919 2
230 . 1 . 1 248 248 LEU HD22 H 1 -0.60822 0.002 . 1 . . . . . 473 LEU MD2 . 50919 2
231 . 1 . 1 248 248 LEU HD23 H 1 -0.60822 0.002 . 1 . . . . . 473 LEU MD2 . 50919 2
232 . 1 . 1 248 248 LEU CD2 C 13 23.62493 0.01 . 1 . . . . . 473 LEU CD2 . 50919 2
233 . 1 . 1 249 249 LEU HD21 H 1 0.64743 0.002 . 1 . . . . . 474 LEU MD2 . 50919 2
234 . 1 . 1 249 249 LEU HD22 H 1 0.64743 0.002 . 1 . . . . . 474 LEU MD2 . 50919 2
235 . 1 . 1 249 249 LEU HD23 H 1 0.64743 0.002 . 1 . . . . . 474 LEU MD2 . 50919 2
236 . 1 . 1 249 249 LEU CD2 C 13 25.35191 0.01 . 1 . . . . . 474 LEU CD2 . 50919 2
237 . 1 . 1 250 250 LEU HD21 H 1 0.62712 0.002 . 1 . . . . . 475 LEU MD2 . 50919 2
238 . 1 . 1 250 250 LEU HD22 H 1 0.62712 0.002 . 1 . . . . . 475 LEU MD2 . 50919 2
239 . 1 . 1 250 250 LEU HD23 H 1 0.62712 0.002 . 1 . . . . . 475 LEU MD2 . 50919 2
240 . 1 . 1 250 250 LEU CD2 C 13 25.62377 0.01 . 1 . . . . . 475 LEU CD2 . 50919 2
241 . 1 . 1 266 266 LEU HD21 H 1 0.7924 0.002 . 1 . . . . . 491 LEU MD2 . 50919 2
242 . 1 . 1 266 266 LEU HD22 H 1 0.7924 0.002 . 1 . . . . . 491 LEU MD2 . 50919 2
243 . 1 . 1 266 266 LEU HD23 H 1 0.7924 0.002 . 1 . . . . . 491 LEU MD2 . 50919 2
244 . 1 . 1 266 266 LEU CD2 C 13 26.53638 0.01 . 1 . . . . . 491 LEU CD2 . 50919 2
245 . 1 . 1 272 272 ILE HD11 H 1 0.66019 0.002 . 1 . . . . . 497 ILE MD . 50919 2
246 . 1 . 1 272 272 ILE HD12 H 1 0.66019 0.002 . 1 . . . . . 497 ILE MD . 50919 2
247 . 1 . 1 272 272 ILE HD13 H 1 0.66019 0.002 . 1 . . . . . 497 ILE MD . 50919 2
248 . 1 . 1 272 272 ILE CD1 C 13 12.67508 0.01 . 1 . . . . . 497 ILE CD1 . 50919 2
249 . 1 . 1 274 274 LEU HD21 H 1 -0.18313 0.002 . 1 . . . . . 499 LEU MD2 . 50919 2
250 . 1 . 1 274 274 LEU HD22 H 1 -0.18313 0.002 . 1 . . . . . 499 LEU MD2 . 50919 2
251 . 1 . 1 274 274 LEU HD23 H 1 -0.18313 0.002 . 1 . . . . . 499 LEU MD2 . 50919 2
252 . 1 . 1 274 274 LEU CD2 C 13 26.87036 0.01 . 1 . . . . . 499 LEU CD2 . 50919 2
253 . 1 . 1 282 282 LEU HD21 H 1 0.57988 0.002 . 1 . . . . . 507 LEU MD2 . 50919 2
254 . 1 . 1 282 282 LEU HD22 H 1 0.57988 0.002 . 1 . . . . . 507 LEU MD2 . 50919 2
255 . 1 . 1 282 282 LEU HD23 H 1 0.57988 0.002 . 1 . . . . . 507 LEU MD2 . 50919 2
256 . 1 . 1 282 282 LEU CD2 C 13 26.7676 0.01 . 1 . . . . . 507 LEU CD2 . 50919 2
257 . 1 . 1 289 289 ILE HD11 H 1 0.63005 0.002 . 1 . . . . . 514 ILE MD . 50919 2
258 . 1 . 1 289 289 ILE HD12 H 1 0.63005 0.002 . 1 . . . . . 514 ILE MD . 50919 2
259 . 1 . 1 289 289 ILE HD13 H 1 0.63005 0.002 . 1 . . . . . 514 ILE MD . 50919 2
260 . 1 . 1 289 289 ILE CD1 C 13 12.62757 0.01 . 1 . . . . . 514 ILE CD1 . 50919 2
261 . 1 . 1 292 292 VAL HG21 H 1 0.6224 0.002 . 1 . . . . . 517 VAL MG2 . 50919 2
262 . 1 . 1 292 292 VAL HG22 H 1 0.6224 0.002 . 1 . . . . . 517 VAL MG2 . 50919 2
263 . 1 . 1 292 292 VAL HG23 H 1 0.6224 0.002 . 1 . . . . . 517 VAL MG2 . 50919 2
264 . 1 . 1 292 292 VAL CG2 C 13 21.88549 0.01 . 1 . . . . . 517 VAL CG2 . 50919 2
265 . 1 . 1 293 293 VAL HG21 H 1 0.77634 0.002 . 1 . . . . . 518 VAL MG2 . 50919 2
266 . 1 . 1 293 293 VAL HG22 H 1 0.77634 0.002 . 1 . . . . . 518 VAL MG2 . 50919 2
267 . 1 . 1 293 293 VAL HG23 H 1 0.77634 0.002 . 1 . . . . . 518 VAL MG2 . 50919 2
268 . 1 . 1 293 293 VAL CG2 C 13 20.70217 0.01 . 1 . . . . . 518 VAL CG2 . 50919 2
269 . 1 . 1 296 296 VAL HG21 H 1 0.29173 0.002 . 1 . . . . . 521 VAL MG2 . 50919 2
270 . 1 . 1 296 296 VAL HG22 H 1 0.29173 0.002 . 1 . . . . . 521 VAL MG2 . 50919 2
271 . 1 . 1 296 296 VAL HG23 H 1 0.29173 0.002 . 1 . . . . . 521 VAL MG2 . 50919 2
272 . 1 . 1 296 296 VAL CG2 C 13 17.14183 0.01 . 1 . . . . . 521 VAL CG2 . 50919 2
273 . 1 . 1 305 305 VAL HG21 H 1 1.19804 0.002 . 1 . . . . . 530 VAL MG2 . 50919 2
274 . 1 . 1 305 305 VAL HG22 H 1 1.19804 0.002 . 1 . . . . . 530 VAL MG2 . 50919 2
275 . 1 . 1 305 305 VAL HG23 H 1 1.19804 0.002 . 1 . . . . . 530 VAL MG2 . 50919 2
276 . 1 . 1 305 305 VAL CG2 C 13 21.39881 0.01 . 1 . . . . . 530 VAL CG2 . 50919 2
stop_
save_