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 50607
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 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 $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 HSQC' . . . 50607 1
2 '2D 1H-13C HMBC' . . . 50607 1
3 '2D 1H-15N HMBC' . . . 50607 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 . . 50607 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 1 1 CYS HA H 1 4.352 0.020 . 1 . . . . . 1 CYS HA . 50607 1
2 . 1 . 1 1 1 CYS HB2 H 1 3.168 0.020 . 2 . . . . . 1 CYS HB2 . 50607 1
3 . 1 . 1 1 1 CYS HB3 H 1 3.117 0.020 . 2 . . . . . 1 CYS HB3 . 50607 1
4 . 1 . 1 1 1 CYS C C 13 170.884 0.3 . 1 . . . . . 1 CYS C . 50607 1
5 . 1 . 1 1 1 CYS CA C 13 56.765 0.3 . 1 . . . . . 1 CYS CA . 50607 1
6 . 1 . 1 1 1 CYS CB C 13 27.650 0.3 . 1 . . . . . 1 CYS CB . 50607 1
7 . 1 . 1 2 2 THR HA H 1 4.500 0.020 . 1 . . . . . 2 THR HA . 50607 1
8 . 1 . 1 2 2 THR HB H 1 4.257 0.020 . 1 . . . . . 2 THR HB . 50607 1
9 . 1 . 1 2 2 THR HG21 H 1 1.256 0.020 . 1 . . . . . 2 THR HG2 . 50607 1
10 . 1 . 1 2 2 THR HG22 H 1 1.256 0.020 . 1 . . . . . 2 THR HG2 . 50607 1
11 . 1 . 1 2 2 THR HG23 H 1 1.256 0.020 . 1 . . . . . 2 THR HG2 . 50607 1
12 . 1 . 1 2 2 THR C C 13 173.886 0.3 . 1 . . . . . 2 THR C . 50607 1
13 . 1 . 1 2 2 THR CA C 13 61.820 0.3 . 1 . . . . . 2 THR CA . 50607 1
14 . 1 . 1 2 2 THR CB C 13 69.410 0.3 . 1 . . . . . 2 THR CB . 50607 1
15 . 1 . 1 2 2 THR CG2 C 13 21.197 0.3 . 1 . . . . . 2 THR CG2 . 50607 1
16 . 1 . 1 3 3 THR H H 1 8.314 0.020 . 1 . . . . . 3 THR H . 50607 1
17 . 1 . 1 3 3 THR HA H 1 4.372 0.020 . 1 . . . . . 3 THR HA . 50607 1
18 . 1 . 1 3 3 THR HB H 1 4.202 0.020 . 1 . . . . . 3 THR HB . 50607 1
19 . 1 . 1 3 3 THR HG21 H 1 1.224 0.020 . 1 . . . . . 3 THR HG2 . 50607 1
20 . 1 . 1 3 3 THR HG22 H 1 1.224 0.020 . 1 . . . . . 3 THR HG2 . 50607 1
21 . 1 . 1 3 3 THR HG23 H 1 1.224 0.020 . 1 . . . . . 3 THR HG2 . 50607 1
22 . 1 . 1 3 3 THR C C 13 173.705 0.3 . 1 . . . . . 3 THR C . 50607 1
23 . 1 . 1 3 3 THR CA C 13 61.594 0.3 . 1 . . . . . 3 THR CA . 50607 1
24 . 1 . 1 3 3 THR CB C 13 69.562 0.3 . 1 . . . . . 3 THR CB . 50607 1
25 . 1 . 1 3 3 THR CG2 C 13 21.390 0.3 . 1 . . . . . 3 THR CG2 . 50607 1
26 . 1 . 1 3 3 THR N N 15 118.023 0.3 . 1 . . . . . 3 THR N . 50607 1
27 . 1 . 1 4 4 ARG H H 1 8.410 0.020 . 1 . . . . . 4 ARG H . 50607 1
28 . 1 . 1 4 4 ARG HA H 1 4.403 0.020 . 1 . . . . . 4 ARG HA . 50607 1
29 . 1 . 1 4 4 ARG HB2 H 1 1.772 0.020 . 2 . . . . . 4 ARG HB2 . 50607 1
30 . 1 . 1 4 4 ARG HB3 H 1 1.731 0.020 . 2 . . . . . 4 ARG HB3 . 50607 1
31 . 1 . 1 4 4 ARG HG2 H 1 1.585 0.020 . 2 . . . . . 4 ARG HG2 . 50607 1
32 . 1 . 1 4 4 ARG HG3 H 1 1.549 0.020 . 2 . . . . . 4 ARG HG3 . 50607 1
33 . 1 . 1 4 4 ARG HD2 H 1 3.169 0.020 . 1 . . . . . 4 ARG HD2 . 50607 1
34 . 1 . 1 4 4 ARG HD3 H 1 3.169 0.020 . 1 . . . . . 4 ARG HD3 . 50607 1
35 . 1 . 1 4 4 ARG HE H 1 7.097 0.020 . 1 . . . . . 4 ARG HE . 50607 1
36 . 1 . 1 4 4 ARG C C 13 175.526 0.3 . 1 . . . . . 4 ARG C . 50607 1
37 . 1 . 1 4 4 ARG CA C 13 55.675 0.3 . 1 . . . . . 4 ARG CA . 50607 1
38 . 1 . 1 4 4 ARG CB C 13 30.665 0.3 . 1 . . . . . 4 ARG CB . 50607 1
39 . 1 . 1 4 4 ARG CG C 13 26.630 0.3 . 1 . . . . . 4 ARG CG . 50607 1
40 . 1 . 1 4 4 ARG CD C 13 43.044 0.3 . 1 . . . . . 4 ARG CD . 50607 1
41 . 1 . 1 4 4 ARG CZ C 13 159.149 0.3 . 1 . . . . . 4 ARG CZ . 50607 1
42 . 1 . 1 4 4 ARG N N 15 124.141 0.3 . 1 . . . . . 4 ARG N . 50607 1
43 . 1 . 1 4 4 ARG NE N 15 84.856 0.3 . 1 . . . . . 4 ARG NE . 50607 1
44 . 1 . 1 5 5 THR H H 1 8.136 0.020 . 1 . . . . . 5 THR H . 50607 1
45 . 1 . 1 5 5 THR HA H 1 4.300 0.020 . 1 . . . . . 5 THR HA . 50607 1
46 . 1 . 1 5 5 THR HB H 1 4.054 0.020 . 1 . . . . . 5 THR HB . 50607 1
47 . 1 . 1 5 5 THR HG21 H 1 1.096 0.020 . 1 . . . . . 5 THR HG2 . 50607 1
48 . 1 . 1 5 5 THR HG22 H 1 1.096 0.020 . 1 . . . . . 5 THR HG2 . 50607 1
49 . 1 . 1 5 5 THR HG23 H 1 1.096 0.020 . 1 . . . . . 5 THR HG2 . 50607 1
50 . 1 . 1 5 5 THR C C 13 173.278 0.3 . 1 . . . . . 5 THR C . 50607 1
51 . 1 . 1 5 5 THR CA C 13 61.393 0.3 . 1 . . . . . 5 THR CA . 50607 1
52 . 1 . 1 5 5 THR CB C 13 69.598 0.3 . 1 . . . . . 5 THR CB . 50607 1
53 . 1 . 1 5 5 THR CG2 C 13 21.123 0.3 . 1 . . . . . 5 THR CG2 . 50607 1
54 . 1 . 1 5 5 THR N N 15 116.249 0.3 . 1 . . . . . 5 THR N . 50607 1
55 . 1 . 1 6 6 TYR H H 1 8.211 0.020 . 1 . . . . . 6 TYR H . 50607 1
56 . 1 . 1 6 6 TYR HA H 1 4.582 0.020 . 1 . . . . . 6 TYR HA . 50607 1
57 . 1 . 1 6 6 TYR HB2 H 1 2.995 0.020 . 2 . . . . . 6 TYR HB2 . 50607 1
58 . 1 . 1 6 6 TYR HB3 H 1 2.892 0.020 . 2 . . . . . 6 TYR HB3 . 50607 1
59 . 1 . 1 6 6 TYR HD1 H 1 7.035 0.020 . 1 . . . . . 6 TYR HD1 . 50607 1
60 . 1 . 1 6 6 TYR HD2 H 1 7.035 0.020 . 1 . . . . . 6 TYR HD2 . 50607 1
61 . 1 . 1 6 6 TYR HE1 H 1 6.752 0.020 . 1 . . . . . 6 TYR HE1 . 50607 1
62 . 1 . 1 6 6 TYR HE2 H 1 6.752 0.020 . 1 . . . . . 6 TYR HE2 . 50607 1
63 . 1 . 1 6 6 TYR C C 13 174.501 0.3 . 1 . . . . . 6 TYR C . 50607 1
64 . 1 . 1 6 6 TYR CA C 13 57.310 0.3 . 1 . . . . . 6 TYR CA . 50607 1
65 . 1 . 1 6 6 TYR CB C 13 38.804 0.3 . 1 . . . . . 6 TYR CB . 50607 1
66 . 1 . 1 6 6 TYR CG C 13 130.183 0.3 . 1 . . . . . 6 TYR CG . 50607 1
67 . 1 . 1 6 6 TYR CD1 C 13 132.887 0.3 . 1 . . . . . 6 TYR CD1 . 50607 1
68 . 1 . 1 6 6 TYR CE1 C 13 117.639 0.3 . 1 . . . . . 6 TYR CE1 . 50607 1
69 . 1 . 1 6 6 TYR CZ C 13 156.822 0.3 . 1 . . . . . 6 TYR CZ . 50607 1
70 . 1 . 1 6 6 TYR N N 15 122.825 0.3 . 1 . . . . . 6 TYR N . 50607 1
71 . 1 . 1 7 7 TYR H H 1 8.129 0.020 . 1 . . . . . 7 TYR H . 50607 1
72 . 1 . 1 7 7 TYR HA H 1 4.627 0.020 . 1 . . . . . 7 TYR HA . 50607 1
73 . 1 . 1 7 7 TYR HB2 H 1 2.950 0.020 . 2 . . . . . 7 TYR HB2 . 50607 1
74 . 1 . 1 7 7 TYR HB3 H 1 2.934 0.020 . 2 . . . . . 7 TYR HB3 . 50607 1
75 . 1 . 1 7 7 TYR HD1 H 1 7.087 0.020 . 1 . . . . . 7 TYR HD1 . 50607 1
76 . 1 . 1 7 7 TYR HD2 H 1 7.087 0.020 . 1 . . . . . 7 TYR HD2 . 50607 1
77 . 1 . 1 7 7 TYR HE1 H 1 6.814 0.020 . 1 . . . . . 7 TYR HE1 . 50607 1
78 . 1 . 1 7 7 TYR HE2 H 1 6.814 0.020 . 1 . . . . . 7 TYR HE2 . 50607 1
79 . 1 . 1 7 7 TYR C C 13 174.566 0.3 . 1 . . . . . 7 TYR C . 50607 1
80 . 1 . 1 7 7 TYR CA C 13 57.204 0.3 . 1 . . . . . 7 TYR CA . 50607 1
81 . 1 . 1 7 7 TYR CB C 13 38.906 0.3 . 1 . . . . . 7 TYR CB . 50607 1
82 . 1 . 1 7 7 TYR CG C 13 130.110 0.3 . 1 . . . . . 7 TYR CG . 50607 1
83 . 1 . 1 7 7 TYR CD1 C 13 132.797 0.3 . 1 . . . . . 7 TYR CD1 . 50607 1
84 . 1 . 1 7 7 TYR CE1 C 13 117.639 0.3 . 1 . . . . . 7 TYR CE1 . 50607 1
85 . 1 . 1 7 7 TYR CZ C 13 156.875 0.3 . 1 . . . . . 7 TYR CZ . 50607 1
86 . 1 . 1 7 7 TYR N N 15 122.657 0.3 . 1 . . . . . 7 TYR N . 50607 1
87 . 1 . 1 8 8 THR H H 1 8.008 0.020 . 1 . . . . . 8 THR H . 50607 1
88 . 1 . 1 8 8 THR HA H 1 4.536 0.020 . 1 . . . . . 8 THR HA . 50607 1
89 . 1 . 1 8 8 THR HB H 1 4.101 0.020 . 1 . . . . . 8 THR HB . 50607 1
90 . 1 . 1 8 8 THR HG21 H 1 1.226 0.020 . 1 . . . . . 8 THR HG2 . 50607 1
91 . 1 . 1 8 8 THR HG22 H 1 1.226 0.020 . 1 . . . . . 8 THR HG2 . 50607 1
92 . 1 . 1 8 8 THR HG23 H 1 1.226 0.020 . 1 . . . . . 8 THR HG2 . 50607 1
93 . 1 . 1 8 8 THR C C 13 171.949 0.3 . 1 . . . . . 8 THR C . 50607 1
94 . 1 . 1 8 8 THR CA C 13 58.942 0.3 . 1 . . . . . 8 THR CA . 50607 1
95 . 1 . 1 8 8 THR CB C 13 69.591 0.3 . 1 . . . . . 8 THR CB . 50607 1
96 . 1 . 1 8 8 THR CG2 C 13 20.911 0.3 . 1 . . . . . 8 THR CG2 . 50607 1
97 . 1 . 1 8 8 THR N N 15 119.731 0.3 . 1 . . . . . 8 THR N . 50607 1
98 . 1 . 1 9 9 PRO HA H 1 4.430 0.020 . 1 . . . . . 9 PRO HA . 50607 1
99 . 1 . 1 9 9 PRO HB2 H 1 2.359 0.020 . 2 . . . . . 9 PRO HB2 . 50607 1
100 . 1 . 1 9 9 PRO HB3 H 1 1.957 0.020 . 2 . . . . . 9 PRO HB3 . 50607 1
101 . 1 . 1 9 9 PRO HG2 H 1 2.034 0.020 . 2 . . . . . 9 PRO HG2 . 50607 1
102 . 1 . 1 9 9 PRO HG3 H 1 2.049 0.020 . 2 . . . . . 9 PRO HG3 . 50607 1
103 . 1 . 1 9 9 PRO HD2 H 1 3.709 0.020 . 1 . . . . . 9 PRO HD2 . 50607 1
104 . 1 . 1 9 9 PRO HD3 H 1 3.709 0.020 . 1 . . . . . 9 PRO HD3 . 50607 1
105 . 1 . 1 9 9 PRO C C 13 176.579 0.3 . 1 . . . . . 9 PRO C . 50607 1
106 . 1 . 1 9 9 PRO CA C 13 62.911 0.3 . 1 . . . . . 9 PRO CA . 50607 1
107 . 1 . 1 9 9 PRO CB C 13 31.798 0.3 . 1 . . . . . 9 PRO CB . 50607 1
108 . 1 . 1 9 9 PRO CG C 13 26.970 0.3 . 1 . . . . . 9 PRO CG . 50607 1
109 . 1 . 1 9 9 PRO CD C 13 50.707 0.3 . 1 . . . . . 9 PRO CD . 50607 1
110 . 1 . 1 10 10 THR H H 1 8.133 0.020 . 1 . . . . . 10 THR H . 50607 1
111 . 1 . 1 10 10 THR HA H 1 4.276 0.020 . 1 . . . . . 10 THR HA . 50607 1
112 . 1 . 1 10 10 THR HB H 1 4.204 0.020 . 1 . . . . . 10 THR HB . 50607 1
113 . 1 . 1 10 10 THR HG21 H 1 1.244 0.020 . 1 . . . . . 10 THR HG2 . 50607 1
114 . 1 . 1 10 10 THR HG22 H 1 1.244 0.020 . 1 . . . . . 10 THR HG2 . 50607 1
115 . 1 . 1 10 10 THR HG23 H 1 1.244 0.020 . 1 . . . . . 10 THR HG2 . 50607 1
116 . 1 . 1 10 10 THR C C 13 174.051 0.3 . 1 . . . . . 10 THR C . 50607 1
117 . 1 . 1 10 10 THR CA C 13 61.851 0.3 . 1 . . . . . 10 THR CA . 50607 1
118 . 1 . 1 10 10 THR CB C 13 69.438 0.3 . 1 . . . . . 10 THR CB . 50607 1
119 . 1 . 1 10 10 THR CG2 C 13 21.290 0.3 . 1 . . . . . 10 THR CG2 . 50607 1
120 . 1 . 1 10 10 THR N N 15 114.593 0.3 . 1 . . . . . 10 THR N . 50607 1
121 . 1 . 1 11 11 ARG H H 1 8.307 0.020 . 1 . . . . . 11 ARG H . 50607 1
122 . 1 . 1 11 11 ARG HA H 1 4.368 0.020 . 1 . . . . . 11 ARG HA . 50607 1
123 . 1 . 1 11 11 ARG HB2 H 1 1.876 0.020 . 2 . . . . . 11 ARG HB2 . 50607 1
124 . 1 . 1 11 11 ARG HB3 H 1 1.790 0.020 . 2 . . . . . 11 ARG HB3 . 50607 1
125 . 1 . 1 11 11 ARG HG2 H 1 1.639 0.020 . 1 . . . . . 11 ARG HG2 . 50607 1
126 . 1 . 1 11 11 ARG HG3 H 1 1.639 0.020 . 1 . . . . . 11 ARG HG3 . 50607 1
127 . 1 . 1 11 11 ARG HD2 H 1 3.212 0.020 . 1 . . . . . 11 ARG HD2 . 50607 1
128 . 1 . 1 11 11 ARG HE H 1 7.188 0.020 . 1 . . . . . 11 ARG HE . 50607 1
129 . 1 . 1 11 11 ARG C C 13 175.438 0.3 . 1 . . . . . 11 ARG C . 50607 1
130 . 1 . 1 11 11 ARG CA C 13 55.729 0.3 . 1 . . . . . 11 ARG CA . 50607 1
131 . 1 . 1 11 11 ARG CB C 13 30.355 0.3 . 1 . . . . . 11 ARG CB . 50607 1
132 . 1 . 1 11 11 ARG CG C 13 26.731 0.3 . 1 . . . . . 11 ARG CG . 50607 1
133 . 1 . 1 11 11 ARG CD C 13 42.956 0.3 . 1 . . . . . 11 ARG CD . 50607 1
134 . 1 . 1 11 11 ARG CZ C 13 159.049 0.3 . 1 . . . . . 11 ARG CZ . 50607 1
135 . 1 . 1 11 11 ARG N N 15 123.385 0.3 . 1 . . . . . 11 ARG N . 50607 1
136 . 1 . 1 11 11 ARG NE N 15 84.582 0.3 . 1 . . . . . 11 ARG NE . 50607 1
137 . 1 . 1 12 12 MET H H 1 8.311 0.020 . 1 . . . . . 12 MET H . 50607 1
138 . 1 . 1 12 12 MET HA H 1 4.470 0.020 . 1 . . . . . 12 MET HA . 50607 1
139 . 1 . 1 12 12 MET HB2 H 1 2.074 0.020 . 2 . . . . . 12 MET HB2 . 50607 1
140 . 1 . 1 12 12 MET HB3 H 1 2.006 0.020 . 2 . . . . . 12 MET HB3 . 50607 1
141 . 1 . 1 12 12 MET HG2 H 1 2.606 0.020 . 2 . . . . . 12 MET HG2 . 50607 1
142 . 1 . 1 12 12 MET HG3 H 1 2.545 0.020 . 2 . . . . . 12 MET HG3 . 50607 1
143 . 1 . 1 12 12 MET HE1 H 1 2.118 0.020 . 1 . . . . . 12 MET HE . 50607 1
144 . 1 . 1 12 12 MET HE2 H 1 2.118 0.020 . 1 . . . . . 12 MET HE . 50607 1
145 . 1 . 1 12 12 MET HE3 H 1 2.118 0.020 . 1 . . . . . 12 MET HE . 50607 1
146 . 1 . 1 12 12 MET C C 13 175.435 0.3 . 1 . . . . . 12 MET C . 50607 1
147 . 1 . 1 12 12 MET CA C 13 55.131 0.3 . 1 . . . . . 12 MET CA . 50607 1
148 . 1 . 1 12 12 MET CB C 13 32.810 0.3 . 1 . . . . . 12 MET CB . 50607 1
149 . 1 . 1 12 12 MET CG C 13 31.636 0.3 . 1 . . . . . 12 MET CG . 50607 1
150 . 1 . 1 12 12 MET CE C 13 16.613 0.3 . 1 . . . . . 12 MET CE . 50607 1
151 . 1 . 1 12 12 MET N N 15 121.719 0.3 . 1 . . . . . 12 MET N . 50607 1
152 . 1 . 1 13 13 LYS H H 1 8.345 0.020 . 1 . . . . . 13 LYS H . 50607 1
153 . 1 . 1 13 13 LYS HA H 1 4.360 0.020 . 1 . . . . . 13 LYS HA . 50607 1
154 . 1 . 1 13 13 LYS HB2 H 1 1.832 0.020 . 2 . . . . . 13 LYS HB2 . 50607 1
155 . 1 . 1 13 13 LYS HB3 H 1 1.773 0.020 . 2 . . . . . 13 LYS HB3 . 50607 1
156 . 1 . 1 13 13 LYS HG2 H 1 1.465 0.020 . 2 . . . . . 13 LYS HG2 . 50607 1
157 . 1 . 1 13 13 LYS HG3 H 1 1.394 0.020 . 2 . . . . . 13 LYS HG3 . 50607 1
158 . 1 . 1 13 13 LYS HD2 H 1 1.703 0.020 . 1 . . . . . 13 LYS HD2 . 50607 1
159 . 1 . 1 13 13 LYS HD3 H 1 1.703 0.020 . 1 . . . . . 13 LYS HD3 . 50607 1
160 . 1 . 1 13 13 LYS HE2 H 1 3.013 0.020 . 1 . . . . . 13 LYS HE2 . 50607 1
161 . 1 . 1 13 13 LYS HE3 H 1 3.013 0.020 . 1 . . . . . 13 LYS HE3 . 50607 1
162 . 1 . 1 13 13 LYS C C 13 175.847 0.3 . 1 . . . . . 13 LYS C . 50607 1
163 . 1 . 1 13 13 LYS CA C 13 56.050 0.3 . 1 . . . . . 13 LYS CA . 50607 1
164 . 1 . 1 13 13 LYS CB C 13 32.706 0.3 . 1 . . . . . 13 LYS CB . 50607 1
165 . 1 . 1 13 13 LYS CG C 13 24.396 0.3 . 1 . . . . . 13 LYS CG . 50607 1
166 . 1 . 1 13 13 LYS CD C 13 28.816 0.3 . 1 . . . . . 13 LYS CD . 50607 1
167 . 1 . 1 13 13 LYS CE C 13 41.801 0.3 . 1 . . . . . 13 LYS CE . 50607 1
168 . 1 . 1 13 13 LYS N N 15 123.429 0.3 . 1 . . . . . 13 LYS N . 50607 1
169 . 1 . 1 14 14 VAL H H 1 8.184 0.020 . 1 . . . . . 14 VAL H . 50607 1
170 . 1 . 1 14 14 VAL HA H 1 4.199 0.020 . 1 . . . . . 14 VAL HA . 50607 1
171 . 1 . 1 14 14 VAL HB H 1 2.098 0.020 . 1 . . . . . 14 VAL HB . 50607 1
172 . 1 . 1 14 14 VAL HG11 H 1 0.952 0.020 . 1 . . . . . 14 VAL HG1 . 50607 1
173 . 1 . 1 14 14 VAL HG12 H 1 0.952 0.020 . 1 . . . . . 14 VAL HG1 . 50607 1
174 . 1 . 1 14 14 VAL HG13 H 1 0.952 0.020 . 1 . . . . . 14 VAL HG1 . 50607 1
175 . 1 . 1 14 14 VAL HG21 H 1 0.951 0.020 . 1 . . . . . 14 VAL HG2 . 50607 1
176 . 1 . 1 14 14 VAL HG22 H 1 0.951 0.020 . 1 . . . . . 14 VAL HG2 . 50607 1
177 . 1 . 1 14 14 VAL HG23 H 1 0.951 0.020 . 1 . . . . . 14 VAL HG2 . 50607 1
178 . 1 . 1 14 14 VAL C C 13 175.582 0.3 . 1 . . . . . 14 VAL C . 50607 1
179 . 1 . 1 14 14 VAL CA C 13 61.721 0.3 . 1 . . . . . 14 VAL CA . 50607 1
180 . 1 . 1 14 14 VAL CB C 13 32.657 0.3 . 1 . . . . . 14 VAL CB . 50607 1
181 . 1 . 1 14 14 VAL CG1 C 13 20.818 0.3 . 1 . . . . . 14 VAL CG1 . 50607 1
182 . 1 . 1 14 14 VAL CG2 C 13 20.063 0.3 . 1 . . . . . 14 VAL CG2 . 50607 1
183 . 1 . 1 14 14 VAL N N 15 121.789 0.3 . 1 . . . . . 14 VAL N . 50607 1
184 . 1 . 1 15 15 SER H H 1 8.385 0.020 . 1 . . . . . 15 SER H . 50607 1
185 . 1 . 1 15 15 SER HA H 1 4.530 0.020 . 1 . . . . . 15 SER HA . 50607 1
186 . 1 . 1 15 15 SER HB2 H 1 3.882 0.020 . 1 . . . . . 15 SER HB2 . 50607 1
187 . 1 . 1 15 15 SER HB3 H 1 3.882 0.020 . 1 . . . . . 15 SER HB3 . 50607 1
188 . 1 . 1 15 15 SER C C 13 173.628 0.3 . 1 . . . . . 15 SER C . 50607 1
189 . 1 . 1 15 15 SER CA C 13 57.751 0.3 . 1 . . . . . 15 SER CA . 50607 1
190 . 1 . 1 15 15 SER CB C 13 63.689 0.3 . 1 . . . . . 15 SER CB . 50607 1
191 . 1 . 1 15 15 SER N N 15 119.980 0.3 . 1 . . . . . 15 SER N . 50607 1
192 . 1 . 1 16 16 LYS H H 1 8.397 0.020 . 1 . . . . . 16 LYS H . 50607 1
193 . 1 . 1 16 16 LYS HA H 1 4.403 0.020 . 1 . . . . . 16 LYS HA . 50607 1
194 . 1 . 1 16 16 LYS HB2 H 1 1.911 0.020 . 2 . . . . . 16 LYS HB2 . 50607 1
195 . 1 . 1 16 16 LYS HB3 H 1 1.794 0.020 . 2 . . . . . 16 LYS HB3 . 50607 1
196 . 1 . 1 16 16 LYS HG2 H 1 1.472 0.020 . 1 . . . . . 16 LYS HG2 . 50607 1
197 . 1 . 1 16 16 LYS HG3 H 1 1.472 0.020 . 1 . . . . . 16 LYS HG3 . 50607 1
198 . 1 . 1 16 16 LYS HD2 H 1 1.700 0.020 . 1 . . . . . 16 LYS HD2 . 50607 1
199 . 1 . 1 16 16 LYS HD3 H 1 1.700 0.020 . 1 . . . . . 16 LYS HD3 . 50607 1
200 . 1 . 1 16 16 LYS HE2 H 1 3.016 0.020 . 1 . . . . . 16 LYS HE2 . 50607 1
201 . 1 . 1 16 16 LYS HE3 H 1 3.016 0.020 . 1 . . . . . 16 LYS HE3 . 50607 1
202 . 1 . 1 16 16 LYS C C 13 175.088 0.3 . 1 . . . . . 16 LYS C . 50607 1
203 . 1 . 1 16 16 LYS CA C 13 56.156 0.3 . 1 . . . . . 16 LYS CA . 50607 1
204 . 1 . 1 16 16 LYS CB C 13 32.778 0.3 . 1 . . . . . 16 LYS CB . 50607 1
205 . 1 . 1 16 16 LYS CG C 13 24.296 0.3 . 1 . . . . . 16 LYS CG . 50607 1
206 . 1 . 1 16 16 LYS CD C 13 28.704 0.3 . 1 . . . . . 16 LYS CD . 50607 1
207 . 1 . 1 16 16 LYS CE C 13 41.697 0.3 . 1 . . . . . 16 LYS CE . 50607 1
208 . 1 . 1 16 16 LYS N N 15 123.903 0.3 . 1 . . . . . 16 LYS N . 50607 1
209 . 1 . 1 17 17 CYS H H 1 8.029 0.020 . 1 . . . . . 17 CYS H . 50607 1
210 . 1 . 1 17 17 CYS HA H 1 4.400 0.020 . 1 . . . . . 17 CYS HA . 50607 1
211 . 1 . 1 17 17 CYS HB2 H 1 2.943 0.020 . 1 . . . . . 17 CYS HB2 . 50607 1
212 . 1 . 1 17 17 CYS C C 13 178.108 0.3 . 1 . . . . . 17 CYS C . 50607 1
213 . 1 . 1 17 17 CYS CA C 13 59.027 0.3 . 1 . . . . . 17 CYS CA . 50607 1
214 . 1 . 1 17 17 CYS CB C 13 28.724 0.3 . 1 . . . . . 17 CYS CB . 50607 1
215 . 1 . 1 17 17 CYS N N 15 124.547 0.3 . 1 . . . . . 17 CYS N . 50607 1
stop_
save_