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 50585
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name Assigned_chemical_shift_list
_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 13C-13C DARR' . . . 50585 1
2 '3D hCANH' . . . 50585 1
3 '3D hCONH' . . . 50585 1
4 '3D hcoCAcoNH' . . . 50585 1
5 '3D hCANH' . . . 50585 1
7 '3D hcoCAcoNH' . . . 50585 1
8 '3D hcaCONH' . . . 50585 1
9 '3D hcaCBcaNH' . . . 50585 1
10 '3D hcaCBcacoNH' . . . 50585 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 . . 50585 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 36 36 GLY H H 1 8.911 0 . . . . . . . 36 GLY H . 50585 1
2 . 1 . 1 36 36 GLY C C 13 173.112 0 . . . . . . . 36 GLY C . 50585 1
3 . 1 . 1 36 36 GLY CA C 13 49.085 0.022 . . . . . . . 36 GLY CA . 50585 1
4 . 1 . 1 36 36 GLY N N 15 116.282 0.074 . . . . . . . 36 GLY N . 50585 1
5 . 1 . 1 37 37 VAL H H 1 7.934 0.01 . . . . . . . 37 VAL H . 50585 1
6 . 1 . 1 37 37 VAL CA C 13 59.625 0.163 . . . . . . . 37 VAL CA . 50585 1
7 . 1 . 1 37 37 VAL CB C 13 35.13 0 . . . . . . . 37 VAL CB . 50585 1
8 . 1 . 1 37 37 VAL N N 15 118.864 0.138 . . . . . . . 37 VAL N . 50585 1
9 . 1 . 1 38 38 LEU H H 1 8.148 0.052 . . . . . . . 38 LEU H . 50585 1
10 . 1 . 1 38 38 LEU C C 13 172.868 0.034 . . . . . . . 38 LEU C . 50585 1
11 . 1 . 1 38 38 LEU CA C 13 53.747 0.125 . . . . . . . 38 LEU CA . 50585 1
12 . 1 . 1 38 38 LEU CB C 13 45.995 0.134 . . . . . . . 38 LEU CB . 50585 1
13 . 1 . 1 38 38 LEU CG C 13 25.508 0 . . . . . . . 38 LEU CG . 50585 1
14 . 1 . 1 38 38 LEU N N 15 127.908 0.133 . . . . . . . 38 LEU N . 50585 1
15 . 1 . 1 39 39 TYR H H 1 8.692 0.039 . . . . . . . 39 TYR H . 50585 1
16 . 1 . 1 39 39 TYR C C 13 174.792 0.077 . . . . . . . 39 TYR C . 50585 1
17 . 1 . 1 39 39 TYR CA C 13 56.268 0.093 . . . . . . . 39 TYR CA . 50585 1
18 . 1 . 1 39 39 TYR CB C 13 41.141 0.155 . . . . . . . 39 TYR CB . 50585 1
19 . 1 . 1 39 39 TYR N N 15 123.348 0.103 . . . . . . . 39 TYR N . 50585 1
20 . 1 . 1 40 40 VAL H H 1 9.211 0.023 . . . . . . . 40 VAL H . 50585 1
21 . 1 . 1 40 40 VAL C C 13 173.33 0.112 . . . . . . . 40 VAL C . 50585 1
22 . 1 . 1 40 40 VAL CA C 13 60.235 0.029 . . . . . . . 40 VAL CA . 50585 1
23 . 1 . 1 40 40 VAL CB C 13 36.086 0.146 . . . . . . . 40 VAL CB . 50585 1
24 . 1 . 1 40 40 VAL N N 15 122.519 0.124 . . . . . . . 40 VAL N . 50585 1
25 . 1 . 1 41 41 GLY H H 1 9.136 0.009 . . . . . . . 41 GLY H . 50585 1
26 . 1 . 1 41 41 GLY C C 13 171.705 0.084 . . . . . . . 41 GLY C . 50585 1
27 . 1 . 1 41 41 GLY CA C 13 44.754 0.072 . . . . . . . 41 GLY CA . 50585 1
28 . 1 . 1 41 41 GLY N N 15 114.349 0.029 . . . . . . . 41 GLY N . 50585 1
29 . 1 . 1 42 42 SER H H 1 8.869 0.039 . . . . . . . 42 SER H . 50585 1
30 . 1 . 1 42 42 SER C C 13 172.951 0.158 . . . . . . . 42 SER C . 50585 1
31 . 1 . 1 42 42 SER CA C 13 55.127 0.061 . . . . . . . 42 SER CA . 50585 1
32 . 1 . 1 42 42 SER CB C 13 65.617 0.091 . . . . . . . 42 SER CB . 50585 1
33 . 1 . 1 42 42 SER N N 15 118.773 0.075 . . . . . . . 42 SER N . 50585 1
34 . 1 . 1 43 43 LYS H H 1 9.071 0.011 . . . . . . . 43 LYS H . 50585 1
35 . 1 . 1 43 43 LYS CA C 13 54.935 0.11 . . . . . . . 44 LYS CA . 50585 1
36 . 1 . 1 43 43 LYS CB C 13 33.642 0.136 . . . . . . . 45 LYS CB . 50585 1
37 . 1 . 1 43 43 LYS N N 15 123.506 0.122 . . . . . . . 43 LYS N . 50585 1
38 . 1 . 1 44 44 THR H H 1 9.04 0.032 . . . . . . . 44 THR H . 50585 1
39 . 1 . 1 44 44 THR C C 13 174.189 0 . . . . . . . 44 THR C . 50585 1
40 . 1 . 1 44 44 THR CA C 13 60.853 0.123 . . . . . . . 44 THR CA . 50585 1
41 . 1 . 1 44 44 THR CB C 13 71.715 0.105 . . . . . . . 44 THR CB . 50585 1
42 . 1 . 1 44 44 THR CG2 C 13 21.689 0 . . . . . . . 44 THR CG2 . 50585 1
43 . 1 . 1 44 44 THR N N 15 124.354 0.09 . . . . . . . 44 THR N . 50585 1
44 . 1 . 1 45 45 LYS H H 1 8.285 0.015 . . . . . . . 45 LYS H . 50585 1
45 . 1 . 1 45 45 LYS C C 13 174.446 0.072 . . . . . . . 45 LYS C . 50585 1
46 . 1 . 1 45 45 LYS CA C 13 59.92 0.098 . . . . . . . 45 LYS CA . 50585 1
47 . 1 . 1 45 45 LYS CB C 13 31.596 0.044 . . . . . . . 45 LYS CB . 50585 1
48 . 1 . 1 45 45 LYS N N 15 129.581 0.111 . . . . . . . 45 LYS N . 50585 1
49 . 1 . 1 46 46 GLU H H 1 8.74 0.021 . . . . . . . 46 GLU H . 50585 1
50 . 1 . 1 46 46 GLU C C 13 174.387 0.043 . . . . . . . 46 GLU C . 50585 1
51 . 1 . 1 46 46 GLU CA C 13 54.968 0.049 . . . . . . . 46 GLU CA . 50585 1
52 . 1 . 1 46 46 GLU CB C 13 32.505 0.097 . . . . . . . 46 GLU CB . 50585 1
53 . 1 . 1 46 46 GLU CG C 13 35.981 0.108 . . . . . . . 46 GLU CG . 50585 1
54 . 1 . 1 46 46 GLU CD C 13 183.212 0.04 . . . . . . . 46 GLU CD . 50585 1
55 . 1 . 1 46 46 GLU N N 15 119.124 0.083 . . . . . . . 46 GLU N . 50585 1
56 . 1 . 1 47 47 GLY H H 1 8.954 0.022 . . . . . . . 47 GLY H . 50585 1
57 . 1 . 1 47 47 GLY C C 13 170.701 0.178 . . . . . . . 47 GLY C . 50585 1
58 . 1 . 1 47 47 GLY CA C 13 45.032 0.045 . . . . . . . 47 GLY CA . 50585 1
59 . 1 . 1 47 47 GLY N N 15 110.4 0.052 . . . . . . . 47 GLY N . 50585 1
60 . 1 . 1 48 48 VAL H H 1 8.622 0.006 . . . . . . . 48 VAL H . 50585 1
61 . 1 . 1 48 48 VAL C C 13 174.833 0.066 . . . . . . . 48 VAL C . 50585 1
62 . 1 . 1 48 48 VAL CA C 13 61.377 0.08 . . . . . . . 48 VAL CA . 50585 1
63 . 1 . 1 48 48 VAL CB C 13 34.195 0.03 . . . . . . . 48 VAL CB . 50585 1
64 . 1 . 1 48 48 VAL N N 15 127.286 0.129 . . . . . . . 48 VAL N . 50585 1
65 . 1 . 1 49 49 VAL H H 1 8.799 0.019 . . . . . . . 49 VAL H . 50585 1
66 . 1 . 1 49 49 VAL C C 13 173.637 0.065 . . . . . . . 49 VAL C . 50585 1
67 . 1 . 1 49 49 VAL CA C 13 60.535 0.098 . . . . . . . 49 VAL CA . 50585 1
68 . 1 . 1 49 49 VAL CB C 13 36.455 0.046 . . . . . . . 49 VAL CB . 50585 1
69 . 1 . 1 49 49 VAL N N 15 124.904 0.149 . . . . . . . 49 VAL N . 50585 1
70 . 1 . 1 50 50 HIS H H 1 8.87 0.025 . . . . . . . 50 HIS H . 50585 1
71 . 1 . 1 50 50 HIS C C 13 176.742 0.064 . . . . . . . 50 HIS C . 50585 1
72 . 1 . 1 50 50 HIS CA C 13 53.582 0.046 . . . . . . . 50 HIS CA . 50585 1
73 . 1 . 1 50 50 HIS CB C 13 31.738 0.084 . . . . . . . 50 HIS CB . 50585 1
74 . 1 . 1 50 50 HIS N N 15 126.726 0.121 . . . . . . . 50 HIS N . 50585 1
75 . 1 . 1 51 51 GLY H H 1 9.428 0.029 . . . . . . . 51 GLY H . 50585 1
76 . 1 . 1 51 51 GLY C C 13 170.438 0.07 . . . . . . . 51 GLY C . 50585 1
77 . 1 . 1 51 51 GLY CA C 13 48.865 0.07 . . . . . . . 51 GLY CA . 50585 1
78 . 1 . 1 51 51 GLY N N 15 116.12 0.071 . . . . . . . 51 GLY N . 50585 1
79 . 1 . 1 52 52 VAL H H 1 8.96 0.016 . . . . . . . 52 VAL H . 50585 1
80 . 1 . 1 52 52 VAL C C 13 175.681 0.014 . . . . . . . 52 VAL C . 50585 1
81 . 1 . 1 52 52 VAL CA C 13 61.303 0.125 . . . . . . . 52 VAL CA . 50585 1
82 . 1 . 1 52 52 VAL CB C 13 35.633 0.073 . . . . . . . 52 VAL CB . 50585 1
83 . 1 . 1 52 52 VAL N N 15 124.107 0.091 . . . . . . . 52 VAL N . 50585 1
84 . 1 . 1 53 53 ALA H H 1 8.975 0.009 . . . . . . . 53 ALA H . 50585 1
85 . 1 . 1 53 53 ALA C C 13 177.534 0.028 . . . . . . . 53 ALA C . 50585 1
86 . 1 . 1 53 53 ALA CA C 13 51.254 0.045 . . . . . . . 53 ALA CA . 50585 1
87 . 1 . 1 53 53 ALA CB C 13 22.974 0.051 . . . . . . . 53 ALA CB . 50585 1
88 . 1 . 1 53 53 ALA N N 15 130.94 0.071 . . . . . . . 53 ALA N . 50585 1
89 . 1 . 1 54 54 THR H H 1 8.504 0.023 . . . . . . . 54 THR H . 50585 1
90 . 1 . 1 54 54 THR C C 13 172.539 0.083 . . . . . . . 54 THR C . 50585 1
91 . 1 . 1 54 54 THR CA C 13 63.418 0.093 . . . . . . . 54 THR CA . 50585 1
92 . 1 . 1 54 54 THR CB C 13 70.924 0.071 . . . . . . . 54 THR CB . 50585 1
93 . 1 . 1 54 54 THR CG2 C 13 22.561 0 . . . . . . . 54 THR CG2 . 50585 1
94 . 1 . 1 54 54 THR N N 15 121.905 0.04 . . . . . . . 54 THR N . 50585 1
95 . 1 . 1 55 55 VAL H H 1 9.267 0.026 . . . . . . . 55 VAL H . 50585 1
96 . 1 . 1 55 55 VAL C C 13 174.762 0.053 . . . . . . . 55 VAL C . 50585 1
97 . 1 . 1 55 55 VAL CA C 13 60.655 0.081 . . . . . . . 55 VAL CA . 50585 1
98 . 1 . 1 55 55 VAL CB C 13 35.586 0.043 . . . . . . . 55 VAL CB . 50585 1
99 . 1 . 1 55 55 VAL N N 15 126.242 0.054 . . . . . . . 55 VAL N . 50585 1
100 . 1 . 1 56 56 ALA H H 1 8.246 0.027 . . . . . . . 56 ALA H . 50585 1
101 . 1 . 1 56 56 ALA C C 13 176.159 0.053 . . . . . . . 56 ALA C . 50585 1
102 . 1 . 1 56 56 ALA CA C 13 50.858 0.025 . . . . . . . 56 ALA CA . 50585 1
103 . 1 . 1 56 56 ALA CB C 13 23.916 0.061 . . . . . . . 56 ALA CB . 50585 1
104 . 1 . 1 56 56 ALA N N 15 128.762 0.078 . . . . . . . 56 ALA N . 50585 1
105 . 1 . 1 57 57 GLU H H 1 8.382 0.021 . . . . . . . 57 GLU H . 50585 1
106 . 1 . 1 57 57 GLU C C 13 177.378 0.062 . . . . . . . 57 GLU C . 50585 1
107 . 1 . 1 57 57 GLU CA C 13 54.337 0.11 . . . . . . . 57 GLU CA . 50585 1
108 . 1 . 1 57 57 GLU CB C 13 33.062 0.048 . . . . . . . 57 GLU CB . 50585 1
109 . 1 . 1 57 57 GLU CG C 13 36.145 0.074 . . . . . . . 57 GLU CG . 50585 1
110 . 1 . 1 57 57 GLU CD C 13 181.885 0 . . . . . . . 57 GLU CD . 50585 1
111 . 1 . 1 57 57 GLU N N 15 121.417 0.053 . . . . . . . 57 GLU N . 50585 1
112 . 1 . 1 58 58 LYS H H 1 8.502 0.006 . . . . . . . 58 LYS H . 50585 1
113 . 1 . 1 58 58 LYS C C 13 174.867 0.016 . . . . . . . 58 LYS C . 50585 1
114 . 1 . 1 58 58 LYS CA C 13 57.706 0.073 . . . . . . . 58 LYS CA . 50585 1
115 . 1 . 1 58 58 LYS CB C 13 30.357 0.159 . . . . . . . 58 LYS CB . 50585 1
116 . 1 . 1 58 58 LYS N N 15 127.718 0.082 . . . . . . . 58 LYS N . 50585 1
117 . 1 . 1 59 59 THR H H 1 7.215 0.02 . . . . . . . 59 THR H . 50585 1
118 . 1 . 1 59 59 THR C C 13 171.918 0.069 . . . . . . . 59 THR C . 50585 1
119 . 1 . 1 59 59 THR CA C 13 61.779 0.082 . . . . . . . 59 THR CA . 50585 1
120 . 1 . 1 59 59 THR CB C 13 74.91 0.026 . . . . . . . 59 THR CB . 50585 1
121 . 1 . 1 59 59 THR CG2 C 13 20.273 0.031 . . . . . . . 59 THR CG2 . 50585 1
122 . 1 . 1 59 59 THR N N 15 115.823 0.061 . . . . . . . 59 THR N . 50585 1
123 . 1 . 1 60 60 LYS H H 1 8.452 0.016 . . . . . . . 60 LYS H . 50585 1
124 . 1 . 1 60 60 LYS C C 13 174.74 0.029 . . . . . . . 60 LYS C . 50585 1
125 . 1 . 1 60 60 LYS CA C 13 53.782 0.101 . . . . . . . 60 LYS CA . 50585 1
126 . 1 . 1 60 60 LYS CB C 13 37.954 0.013 . . . . . . . 60 LYS CB . 50585 1
127 . 1 . 1 60 60 LYS N N 15 122.831 0.195 . . . . . . . 60 LYS N . 50585 1
128 . 1 . 1 61 61 GLU H H 1 8.142 0.006 . . . . . . . 61 GLU H . 50585 1
129 . 1 . 1 61 61 GLU C C 13 173.488 0.078 . . . . . . . 61 GLU C . 50585 1
130 . 1 . 1 61 61 GLU CA C 13 56.747 0.187 . . . . . . . 61 GLU CA . 50585 1
131 . 1 . 1 61 61 GLU CB C 13 26.569 0.123 . . . . . . . 61 GLU CB . 50585 1
132 . 1 . 1 61 61 GLU CG C 13 37.6 0.026 . . . . . . . 61 GLU CG . 50585 1
133 . 1 . 1 61 61 GLU CD C 13 183.56 0.027 . . . . . . . 61 GLU CD . 50585 1
134 . 1 . 1 61 61 GLU N N 15 116.965 0.113 . . . . . . . 61 GLU N . 50585 1
135 . 1 . 1 62 62 GLN H H 1 8.162 0.024 . . . . . . . 62 GLN H . 50585 1
136 . 1 . 1 62 62 GLN C C 13 173.506 0.14 . . . . . . . 62 GLN C . 50585 1
137 . 1 . 1 62 62 GLN CA C 13 53.831 0.039 . . . . . . . 62 GLN CA . 50585 1
138 . 1 . 1 62 62 GLN CB C 13 33.256 0.061 . . . . . . . 62 GLN CB . 50585 1
139 . 1 . 1 62 62 GLN N N 15 122.37 0.075 . . . . . . . 62 GLN N . 50585 1
140 . 1 . 1 63 63 VAL H H 1 9.616 0.021 . . . . . . . 63 VAL H . 50585 1
141 . 1 . 1 63 63 VAL C C 13 174.652 0.12 . . . . . . . 63 VAL C . 50585 1
142 . 1 . 1 63 63 VAL CA C 13 60.429 0.084 . . . . . . . 63 VAL CA . 50585 1
143 . 1 . 1 63 63 VAL CB C 13 36.292 0.074 . . . . . . . 63 VAL CB . 50585 1
144 . 1 . 1 63 63 VAL N N 15 128.195 0.093 . . . . . . . 63 VAL N . 50585 1
145 . 1 . 1 64 64 THR H H 1 9.227 0.014 . . . . . . . 64 THR H . 50585 1
146 . 1 . 1 64 64 THR C C 13 172.702 0.014 . . . . . . . 64 THR C . 50585 1
147 . 1 . 1 64 64 THR CA C 13 58.148 0.079 . . . . . . . 64 THR CA . 50585 1
148 . 1 . 1 64 64 THR CB C 13 72.05 0.119 . . . . . . . 64 THR CB . 50585 1
149 . 1 . 1 64 64 THR CG2 C 13 22.083 0 . . . . . . . 64 THR CG2 . 50585 1
150 . 1 . 1 64 64 THR N N 15 115.134 0.129 . . . . . . . 64 THR N . 50585 1
151 . 1 . 1 65 65 ASN H H 1 8.451 0.012 . . . . . . . 65 ASN H . 50585 1
152 . 1 . 1 65 65 ASN C C 13 174.556 0.09 . . . . . . . 65 ASN C . 50585 1
153 . 1 . 1 65 65 ASN CA C 13 52.904 0.156 . . . . . . . 65 ASN CA . 50585 1
154 . 1 . 1 65 65 ASN CB C 13 44.498 0.185 . . . . . . . 65 ASN CB . 50585 1
155 . 1 . 1 65 65 ASN CG C 13 179.534 0 . . . . . . . 65 ASN CG . 50585 1
156 . 1 . 1 65 65 ASN N N 15 119.006 0.114 . . . . . . . 65 ASN N . 50585 1
157 . 1 . 1 66 66 VAL H H 1 8.157 0.024 . . . . . . . 66 VAL H . 50585 1
158 . 1 . 1 66 66 VAL C C 13 174.904 0.108 . . . . . . . 66 VAL C . 50585 1
159 . 1 . 1 66 66 VAL CA C 13 61.294 0.043 . . . . . . . 66 VAL CA . 50585 1
160 . 1 . 1 66 66 VAL CB C 13 36.107 0.056 . . . . . . . 66 VAL CB . 50585 1
161 . 1 . 1 66 66 VAL N N 15 127.657 0.054 . . . . . . . 66 VAL N . 50585 1
162 . 1 . 1 67 67 GLY H H 1 8.859 0.018 . . . . . . . 67 GLY H . 50585 1
163 . 1 . 1 67 67 GLY C C 13 171.597 0.068 . . . . . . . 67 GLY C . 50585 1
164 . 1 . 1 67 67 GLY CA C 13 44.557 0.04 . . . . . . . 67 GLY CA . 50585 1
165 . 1 . 1 67 67 GLY N N 15 113.644 0.093 . . . . . . . 67 GLY N . 50585 1
166 . 1 . 1 68 68 GLY H H 1 8.128 0.022 . . . . . . . 68 GLY H . 50585 1
167 . 1 . 1 68 68 GLY C C 13 170.102 0 . . . . . . . 68 GLY C . 50585 1
168 . 1 . 1 68 68 GLY CA C 13 45.09 0.03 . . . . . . . 68 GLY CA . 50585 1
169 . 1 . 1 68 68 GLY N N 15 107.03 0.1 . . . . . . . 68 GLY N . 50585 1
170 . 1 . 1 69 69 ALA H H 1 9.053 0.018 . . . . . . . 69 ALA H . 50585 1
171 . 1 . 1 69 69 ALA C C 13 174.552 0.041 . . . . . . . 69 ALA C . 50585 1
172 . 1 . 1 69 69 ALA CA C 13 49.459 0.076 . . . . . . . 69 ALA CA . 50585 1
173 . 1 . 1 69 69 ALA CB C 13 19.607 0.081 . . . . . . . 69 ALA CB . 50585 1
174 . 1 . 1 69 69 ALA N N 15 127.664 0.054 . . . . . . . 69 ALA N . 50585 1
175 . 1 . 1 70 70 VAL H H 1 8.645 0.024 . . . . . . . 70 VAL H . 50585 1
176 . 1 . 1 70 70 VAL C C 13 175.13 0.187 . . . . . . . 70 VAL C . 50585 1
177 . 1 . 1 70 70 VAL CA C 13 60.886 0.081 . . . . . . . 70 VAL CA . 50585 1
178 . 1 . 1 70 70 VAL CB C 13 34.175 0.031 . . . . . . . 70 VAL CB . 50585 1
179 . 1 . 1 70 70 VAL N N 15 123.311 0.085 . . . . . . . 70 VAL N . 50585 1
180 . 1 . 1 71 71 VAL H H 1 9.281 0.03 . . . . . . . 71 VAL H . 50585 1
181 . 1 . 1 71 71 VAL C C 13 174.309 0.086 . . . . . . . 71 VAL C . 50585 1
182 . 1 . 1 71 71 VAL CA C 13 60.664 0.132 . . . . . . . 71 VAL CA . 50585 1
183 . 1 . 1 71 71 VAL CB C 13 34.175 0.033 . . . . . . . 71 VAL CB . 50585 1
184 . 1 . 1 71 71 VAL N N 15 131.185 0.087 . . . . . . . 71 VAL N . 50585 1
185 . 1 . 1 72 72 THR H H 1 8.949 0.045 . . . . . . . 72 THR H . 50585 1
186 . 1 . 1 72 72 THR C C 13 173.042 0.035 . . . . . . . 72 THR C . 50585 1
187 . 1 . 1 72 72 THR CA C 13 60.462 0.103 . . . . . . . 72 THR CA . 50585 1
188 . 1 . 1 72 72 THR CB C 13 70.303 0.078 . . . . . . . 72 THR CB . 50585 1
189 . 1 . 1 72 72 THR CG2 C 13 23.049 0 . . . . . . . 72 THR CG2 . 50585 1
190 . 1 . 1 72 72 THR N N 15 124.596 0.059 . . . . . . . 72 THR N . 50585 1
191 . 1 . 1 73 73 GLY H H 1 9.257 0.015 . . . . . . . 73 GLY H . 50585 1
192 . 1 . 1 73 73 GLY C C 13 173.722 0.02 . . . . . . . 73 GLY C . 50585 1
193 . 1 . 1 73 73 GLY CA C 13 47.606 0.072 . . . . . . . 73 GLY CA . 50585 1
194 . 1 . 1 73 73 GLY N N 15 113.076 0.086 . . . . . . . 73 GLY N . 50585 1
195 . 1 . 1 74 74 VAL H H 1 8.274 0.027 . . . . . . . 74 VAL H . 50585 1
196 . 1 . 1 74 74 VAL C C 13 178.014 0.047 . . . . . . . 74 VAL C . 50585 1
197 . 1 . 1 74 74 VAL CA C 13 68.772 0.073 . . . . . . . 74 VAL CA . 50585 1
198 . 1 . 1 74 74 VAL CB C 13 29.299 0.051 . . . . . . . 74 VAL CB . 50585 1
199 . 1 . 1 74 74 VAL CG1 C 13 22.362 0.009 . . . . . . . 74 VAL CG1 . 50585 1
200 . 1 . 1 74 74 VAL N N 15 118.725 0.096 . . . . . . . 74 VAL N . 50585 1
201 . 1 . 1 75 75 THR H H 1 8.796 0.026 . . . . . . . 75 THR H . 50585 1
202 . 1 . 1 75 75 THR C C 13 171.822 0.015 . . . . . . . 75 THR C . 50585 1
203 . 1 . 1 75 75 THR CA C 13 62.602 0.071 . . . . . . . 75 THR CA . 50585 1
204 . 1 . 1 75 75 THR CB C 13 68.945 0.072 . . . . . . . 75 THR CB . 50585 1
205 . 1 . 1 75 75 THR CG2 C 13 21.642 0 . . . . . . . 75 THR CG2 . 50585 1
206 . 1 . 1 75 75 THR N N 15 119.413 0.069 . . . . . . . 75 THR N . 50585 1
207 . 1 . 1 76 76 ALA H H 1 9.509 0.02 . . . . . . . 76 ALA H . 50585 1
208 . 1 . 1 76 76 ALA C C 13 174.441 0.108 . . . . . . . 76 ALA C . 50585 1
209 . 1 . 1 76 76 ALA CA C 13 50.328 0.033 . . . . . . . 76 ALA CA . 50585 1
210 . 1 . 1 76 76 ALA CB C 13 21.861 0.098 . . . . . . . 76 ALA CB . 50585 1
211 . 1 . 1 76 76 ALA N N 15 132.605 0.061 . . . . . . . 76 ALA N . 50585 1
212 . 1 . 1 77 77 VAL H H 1 8.893 0.023 . . . . . . . 77 VAL H . 50585 1
213 . 1 . 1 77 77 VAL C C 13 172.963 0.041 . . . . . . . 77 VAL C . 50585 1
214 . 1 . 1 77 77 VAL CA C 13 60.038 0.075 . . . . . . . 77 VAL CA . 50585 1
215 . 1 . 1 77 77 VAL CB C 13 36.004 0.039 . . . . . . . 77 VAL CB . 50585 1
216 . 1 . 1 77 77 VAL N N 15 121.678 0.104 . . . . . . . 77 VAL N . 50585 1
217 . 1 . 1 78 78 ALA H H 1 9.232 0.009 . . . . . . . 78 ALA H . 50585 1
218 . 1 . 1 78 78 ALA C C 13 174.836 0.081 . . . . . . . 78 ALA C . 50585 1
219 . 1 . 1 78 78 ALA CA C 13 49.789 0.042 . . . . . . . 78 ALA CA . 50585 1
220 . 1 . 1 78 78 ALA CB C 13 21.513 0.031 . . . . . . . 78 ALA CB . 50585 1
221 . 1 . 1 78 78 ALA N N 15 129.395 0.092 . . . . . . . 78 ALA N . 50585 1
222 . 1 . 1 79 79 GLN H H 1 8.77 0.024 . . . . . . . 79 GLN H . 50585 1
223 . 1 . 1 79 79 GLN C C 13 175.373 0.066 . . . . . . . 79 GLN C . 50585 1
224 . 1 . 1 79 79 GLN CA C 13 53.249 0.044 . . . . . . . 79 GLN CA . 50585 1
225 . 1 . 1 79 79 GLN CB C 13 34.361 0.035 . . . . . . . 79 GLN CB . 50585 1
226 . 1 . 1 79 79 GLN CD C 13 179.812 0 . . . . . . . 79 GLN CD . 50585 1
227 . 1 . 1 79 79 GLN N N 15 124.774 0.041 . . . . . . . 79 GLN N . 50585 1
228 . 1 . 1 80 80 LYS H H 1 9.055 0.013 . . . . . . . 80 LYS H . 50585 1
229 . 1 . 1 80 80 LYS C C 13 176.15 0.041 . . . . . . . 80 LYS C . 50585 1
230 . 1 . 1 80 80 LYS CA C 13 57.463 0.045 . . . . . . . 80 LYS CA . 50585 1
231 . 1 . 1 80 80 LYS CB C 13 29.332 0.096 . . . . . . . 80 LYS CB . 50585 1
232 . 1 . 1 80 80 LYS N N 15 126.86 0.147 . . . . . . . 80 LYS N . 50585 1
233 . 1 . 1 81 81 THR H H 1 7.468 0.012 . . . . . . . 81 THR H . 50585 1
234 . 1 . 1 81 81 THR C C 13 173.594 0 . . . . . . . 81 THR C . 50585 1
235 . 1 . 1 81 81 THR CA C 13 67.642 0.118 . . . . . . . 81 THR CA . 50585 1
236 . 1 . 1 81 81 THR CB C 13 67.363 0.116 . . . . . . . 81 THR CB . 50585 1
237 . 1 . 1 81 81 THR CG2 C 13 21.879 0.009 . . . . . . . 81 THR CG2 . 50585 1
238 . 1 . 1 81 81 THR N N 15 119.153 0.12 . . . . . . . 81 THR N . 50585 1
239 . 1 . 1 82 82 VAL CA C 13 60.891 0.017 . . . . . . . 82 VAL CA . 50585 1
240 . 1 . 1 82 82 VAL CB C 13 32.565 0.087 . . . . . . . 82 VAL CB . 50585 1
241 . 1 . 1 83 83 GLU H H 1 8.794 0.029 . . . . . . . 83 GLU H . 50585 1
242 . 1 . 1 83 83 GLU C C 13 173.771 0.052 . . . . . . . 83 GLU C . 50585 1
243 . 1 . 1 83 83 GLU CA C 13 55.386 0.142 . . . . . . . 83 GLU CA . 50585 1
244 . 1 . 1 83 83 GLU CB C 13 31.226 0.811 . . . . . . . 83 GLU CB . 50585 1
245 . 1 . 1 83 83 GLU CG C 13 37.14 0.034 . . . . . . . 83 GLU CG . 50585 1
246 . 1 . 1 83 83 GLU N N 15 121.773 0.194 . . . . . . . 83 GLU N . 50585 1
247 . 1 . 1 84 84 GLY H H 1 9.413 0.023 . . . . . . . 84 GLY H . 50585 1
248 . 1 . 1 84 84 GLY C C 13 172.777 0.027 . . . . . . . 84 GLY C . 50585 1
249 . 1 . 1 84 84 GLY CA C 13 44.649 0.055 . . . . . . . 84 GLY CA . 50585 1
250 . 1 . 1 84 84 GLY N N 15 112.651 0.096 . . . . . . . 84 GLY N . 50585 1
251 . 1 . 1 85 85 ALA H H 1 8.841 0.026 . . . . . . . 85 ALA H . 50585 1
252 . 1 . 1 85 85 ALA C C 13 174.72 0.064 . . . . . . . 85 ALA C . 50585 1
253 . 1 . 1 85 85 ALA CA C 13 49.867 0.172 . . . . . . . 85 ALA CA . 50585 1
254 . 1 . 1 85 85 ALA CB C 13 24.127 0.01 . . . . . . . 85 ALA CB . 50585 1
255 . 1 . 1 85 85 ALA N N 15 129.683 0.092 . . . . . . . 85 ALA N . 50585 1
256 . 1 . 1 86 86 GLY H H 1 8.985 0.012 . . . . . . . 86 GLY H . 50585 1
257 . 1 . 1 86 86 GLY CA C 13 44.321 0.136 . . . . . . . 86 GLY CA . 50585 1
258 . 1 . 1 86 86 GLY N N 15 108.895 0.066 . . . . . . . 86 GLY N . 50585 1
259 . 1 . 1 87 87 SER H H 1 8.471 0.02 . . . . . . . 87 SER H . 50585 1
260 . 1 . 1 87 87 SER C C 13 173.792 0 . . . . . . . 87 SER C . 50585 1
261 . 1 . 1 87 87 SER CA C 13 56.171 0.103 . . . . . . . 87 SER CA . 50585 1
262 . 1 . 1 87 87 SER CB C 13 66.594 0.115 . . . . . . . 87 SER CB . 50585 1
263 . 1 . 1 87 87 SER N N 15 117.408 0.08 . . . . . . . 87 SER N . 50585 1
264 . 1 . 1 88 88 ILE H H 1 8.776 0.011 . . . . . . . 88 ILE H . 50585 1
265 . 1 . 1 88 88 ILE CA C 13 60.194 0.188 . . . . . . . 88 ILE CA . 50585 1
266 . 1 . 1 88 88 ILE CB C 13 42.426 0.198 . . . . . . . 88 ILE CB . 50585 1
267 . 1 . 1 88 88 ILE CG1 C 13 27.035 0.002 . . . . . . . 88 ILE CG1 . 50585 1
268 . 1 . 1 88 88 ILE CG2 C 13 17.774 0.146 . . . . . . . 88 ILE CG2 . 50585 1
269 . 1 . 1 88 88 ILE CD1 C 13 15.469 0.013 . . . . . . . 88 ILE CD1 . 50585 1
270 . 1 . 1 88 88 ILE N N 15 121.604 0.064 . . . . . . . 88 ILE N . 50585 1
271 . 1 . 1 89 89 ALA H H 1 9.515 0.023 . . . . . . . 89 ALA H . 50585 1
272 . 1 . 1 89 89 ALA C C 13 176.188 0 . . . . . . . 89 ALA C . 50585 1
273 . 1 . 1 89 89 ALA CA C 13 50.947 0.123 . . . . . . . 89 ALA CA . 50585 1
274 . 1 . 1 89 89 ALA CB C 13 23.606 0.143 . . . . . . . 89 ALA CB . 50585 1
275 . 1 . 1 89 89 ALA N N 15 132.666 0.039 . . . . . . . 89 ALA N . 50585 1
276 . 1 . 1 90 90 ALA H H 1 8.397 0.01 . . . . . . . 90 ALA H . 50585 1
277 . 1 . 1 90 90 ALA C C 13 175.105 0 . . . . . . . 90 ALA C . 50585 1
278 . 1 . 1 90 90 ALA CA C 13 50.873 0.045 . . . . . . . 90 ALA CA . 50585 1
279 . 1 . 1 90 90 ALA CB C 13 23.127 0 . . . . . . . 90 ALA CB . 50585 1
280 . 1 . 1 90 90 ALA N N 15 124.336 0.083 . . . . . . . 90 ALA N . 50585 1
281 . 1 . 1 91 91 ALA H H 1 8.928 0.026 . . . . . . . 91 ALA H . 50585 1
282 . 1 . 1 91 91 ALA C C 13 174.883 0.104 . . . . . . . 91 ALA C . 50585 1
283 . 1 . 1 91 91 ALA CA C 13 50.443 0.064 . . . . . . . 91 ALA CA . 50585 1
284 . 1 . 1 91 91 ALA CB C 13 20.177 0.021 . . . . . . . 91 ALA CB . 50585 1
285 . 1 . 1 91 91 ALA N N 15 129.012 0.156 . . . . . . . 91 ALA N . 50585 1
286 . 1 . 1 92 92 THR H H 1 8.932 0.016 . . . . . . . 92 THR H . 50585 1
287 . 1 . 1 92 92 THR C C 13 173.007 0.09 . . . . . . . 92 THR C . 50585 1
288 . 1 . 1 92 92 THR CA C 13 60.636 0.057 . . . . . . . 92 THR CA . 50585 1
289 . 1 . 1 92 92 THR CB C 13 71.315 0.071 . . . . . . . 92 THR CB . 50585 1
290 . 1 . 1 92 92 THR CG2 C 13 22.278 0 . . . . . . . 92 THR CG2 . 50585 1
291 . 1 . 1 92 92 THR N N 15 122.529 0.076 . . . . . . . 92 THR N . 50585 1
292 . 1 . 1 93 93 GLY H H 1 9.27 0.006 . . . . . . . 93 GLY H . 50585 1
293 . 1 . 1 93 93 GLY C C 13 170.667 0.014 . . . . . . . 93 GLY C . 50585 1
294 . 1 . 1 93 93 GLY CA C 13 46.201 0.064 . . . . . . . 93 GLY CA . 50585 1
295 . 1 . 1 93 93 GLY N N 15 111.751 0.124 . . . . . . . 93 GLY N . 50585 1
296 . 1 . 1 94 94 PHE H H 1 7.356 0.021 . . . . . . . 94 PHE H . 50585 1
297 . 1 . 1 94 94 PHE C C 13 172.779 0.082 . . . . . . . 94 PHE C . 50585 1
298 . 1 . 1 94 94 PHE CA C 13 54.812 0.072 . . . . . . . 94 PHE CA . 50585 1
299 . 1 . 1 94 94 PHE CB C 13 39.451 0.172 . . . . . . . 94 PHE CB . 50585 1
300 . 1 . 1 94 94 PHE N N 15 112.014 0.156 . . . . . . . 94 PHE N . 50585 1
301 . 1 . 1 95 95 VAL H H 1 8.219 0.025 . . . . . . . 95 VAL H . 50585 1
302 . 1 . 1 95 95 VAL CA C 13 60.379 0.092 . . . . . . . 95 VAL CA . 50585 1
303 . 1 . 1 95 95 VAL CB C 13 35.93 0.115 . . . . . . . 95 VAL CB . 50585 1
304 . 1 . 1 95 95 VAL N N 15 118.357 0.051 . . . . . . . 95 VAL N . 50585 1
stop_
save_