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 50825
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name S53C_YMA_Lu
_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 0.002
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err 0.005
_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 'Backbone amide NH assignments of the S53C YMA mutant tagged with the diamagnetic tag Lu-4R4S-DOTA-M8.'
_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-15N HSQC' . . . 50825 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 . . 50825 1
2 $software_2 . . 50825 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 2 2 LEU H H 1 8.869 0.000 . 1 . . . . . 2 LEU H . 50825 1
2 . 1 . 1 2 2 LEU N N 15 121.616 0.000 . 1 . . . . . 2 LEU N . 50825 1
3 . 1 . 1 4 4 GLN H H 1 7.650 0.000 . 1 . . . . . 4 GLN H . 50825 1
4 . 1 . 1 4 4 GLN N N 15 117.110 0.000 . 1 . . . . . 4 GLN N . 50825 1
5 . 1 . 1 5 5 MET H H 1 7.908 0.000 . 1 . . . . . 5 MET H . 50825 1
6 . 1 . 1 5 5 MET N N 15 120.199 0.000 . 1 . . . . . 5 MET N . 50825 1
7 . 1 . 1 6 6 VAL H H 1 8.077 0.000 . 1 . . . . . 6 VAL H . 50825 1
8 . 1 . 1 6 6 VAL N N 15 116.828 0.000 . 1 . . . . . 6 VAL N . 50825 1
9 . 1 . 1 7 7 GLN H H 1 7.861 0.000 . 1 . . . . . 7 GLN H . 50825 1
10 . 1 . 1 7 7 GLN N N 15 120.060 0.000 . 1 . . . . . 7 GLN N . 50825 1
11 . 1 . 1 8 8 GLN H H 1 7.929 0.000 . 1 . . . . . 8 GLN H . 50825 1
12 . 1 . 1 8 8 GLN N N 15 119.630 0.000 . 1 . . . . . 8 GLN N . 50825 1
13 . 1 . 1 9 9 LEU H H 1 7.622 0.000 . 1 . . . . . 9 LEU H . 50825 1
14 . 1 . 1 9 9 LEU N N 15 117.253 0.000 . 1 . . . . . 9 LEU N . 50825 1
15 . 1 . 1 10 10 ASN H H 1 7.452 0.000 . 1 . . . . . 10 ASN H . 50825 1
16 . 1 . 1 10 10 ASN N N 15 114.004 0.000 . 1 . . . . . 10 ASN N . 50825 1
17 . 1 . 1 11 11 SER H H 1 7.523 0.000 . 1 . . . . . 11 SER H . 50825 1
18 . 1 . 1 11 11 SER N N 15 116.972 0.000 . 1 . . . . . 11 SER N . 50825 1
19 . 1 . 1 13 13 ASP H H 1 8.436 0.000 . 1 . . . . . 13 ASP H . 50825 1
20 . 1 . 1 13 13 ASP N N 15 122.310 0.000 . 1 . . . . . 13 ASP N . 50825 1
21 . 1 . 1 14 14 GLN H H 1 8.984 0.000 . 1 . . . . . 14 GLN H . 50825 1
22 . 1 . 1 14 14 GLN N N 15 125.967 0.000 . 1 . . . . . 14 GLN N . 50825 1
23 . 1 . 1 15 15 GLN H H 1 8.331 0.000 . 1 . . . . . 15 GLN H . 50825 1
24 . 1 . 1 15 15 GLN N N 15 118.660 0.000 . 1 . . . . . 15 GLN N . 50825 1
25 . 1 . 1 16 16 GLU H H 1 7.970 0.000 . 1 . . . . . 16 GLU H . 50825 1
26 . 1 . 1 16 16 GLU N N 15 123.156 0.000 . 1 . . . . . 16 GLU N . 50825 1
27 . 1 . 1 17 17 LEU H H 1 8.307 0.000 . 1 . . . . . 17 LEU H . 50825 1
28 . 1 . 1 17 17 LEU N N 15 122.032 0.000 . 1 . . . . . 17 LEU N . 50825 1
29 . 1 . 1 18 18 GLN H H 1 8.410 0.000 . 1 . . . . . 18 GLN H . 50825 1
30 . 1 . 1 18 18 GLN N N 15 116.824 0.000 . 1 . . . . . 18 GLN N . 50825 1
31 . 1 . 1 19 19 SER H H 1 8.025 0.000 . 1 . . . . . 19 SER H . 50825 1
32 . 1 . 1 19 19 SER N N 15 114.148 0.000 . 1 . . . . . 19 SER N . 50825 1
33 . 1 . 1 20 20 ALA H H 1 7.964 0.000 . 1 . . . . . 20 ALA H . 50825 1
34 . 1 . 1 20 20 ALA N N 15 125.353 0.000 . 1 . . . . . 20 ALA N . 50825 1
35 . 1 . 1 21 21 LEU H H 1 8.463 0.000 . 1 . . . . . 21 LEU H . 50825 1
36 . 1 . 1 21 21 LEU N N 15 118.654 0.000 . 1 . . . . . 21 LEU N . 50825 1
37 . 1 . 1 22 22 ARG H H 1 8.203 0.000 . 1 . . . . . 22 ARG H . 50825 1
38 . 1 . 1 22 22 ARG N N 15 118.796 0.000 . 1 . . . . . 22 ARG N . 50825 1
39 . 1 . 1 23 23 LYS H H 1 7.854 0.000 . 1 . . . . . 23 LYS H . 50825 1
40 . 1 . 1 23 23 LYS N N 15 120.349 0.000 . 1 . . . . . 23 LYS N . 50825 1
41 . 1 . 1 24 24 LEU H H 1 8.636 0.000 . 1 . . . . . 24 LEU H . 50825 1
42 . 1 . 1 24 24 LEU N N 15 120.902 0.000 . 1 . . . . . 24 LEU N . 50825 1
43 . 1 . 1 25 25 SER H H 1 8.624 0.000 . 1 . . . . . 25 SER H . 50825 1
44 . 1 . 1 25 25 SER N N 15 114.715 0.000 . 1 . . . . . 25 SER N . 50825 1
45 . 1 . 1 26 26 GLN H H 1 7.824 0.000 . 1 . . . . . 26 GLN H . 50825 1
46 . 1 . 1 26 26 GLN N N 15 120.195 0.000 . 1 . . . . . 26 GLN N . 50825 1
47 . 1 . 1 27 27 ILE H H 1 8.376 0.000 . 1 . . . . . 27 ILE H . 50825 1
48 . 1 . 1 27 27 ILE N N 15 123.302 0.000 . 1 . . . . . 27 ILE N . 50825 1
49 . 1 . 1 28 28 ALA H H 1 8.385 0.000 . 1 . . . . . 28 ALA H . 50825 1
50 . 1 . 1 28 28 ALA N N 15 119.219 0.000 . 1 . . . . . 28 ALA N . 50825 1
51 . 1 . 1 29 29 SER H H 1 7.594 0.000 . 1 . . . . . 29 SER H . 50825 1
52 . 1 . 1 29 29 SER N N 15 111.338 0.000 . 1 . . . . . 29 SER N . 50825 1
53 . 1 . 1 30 30 GLY H H 1 7.971 0.000 . 1 . . . . . 30 GLY H . 50825 1
54 . 1 . 1 30 30 GLY N N 15 108.810 0.000 . 1 . . . . . 30 GLY N . 50825 1
55 . 1 . 1 31 31 GLY H H 1 7.869 0.000 . 1 . . . . . 31 GLY H . 50825 1
56 . 1 . 1 31 31 GLY N N 15 107.823 0.000 . 1 . . . . . 31 GLY N . 50825 1
57 . 1 . 1 33 33 GLU H H 1 9.090 0.000 . 1 . . . . . 33 GLU H . 50825 1
58 . 1 . 1 33 33 GLU N N 15 120.342 0.000 . 1 . . . . . 33 GLU N . 50825 1
59 . 1 . 1 34 34 GLN H H 1 7.795 0.000 . 1 . . . . . 34 GLN H . 50825 1
60 . 1 . 1 34 34 GLN N N 15 121.179 0.000 . 1 . . . . . 34 GLN N . 50825 1
61 . 1 . 1 35 35 ILE H H 1 8.242 0.000 . 1 . . . . . 35 ILE H . 50825 1
62 . 1 . 1 35 35 ILE N N 15 119.358 0.000 . 1 . . . . . 35 ILE N . 50825 1
63 . 1 . 1 36 36 GLN H H 1 8.276 0.000 . 1 . . . . . 36 GLN H . 50825 1
64 . 1 . 1 36 36 GLN N N 15 118.377 0.000 . 1 . . . . . 36 GLN N . 50825 1
65 . 1 . 1 37 37 ALA H H 1 7.619 0.000 . 1 . . . . . 37 ALA H . 50825 1
66 . 1 . 1 37 37 ALA N N 15 120.619 0.000 . 1 . . . . . 37 ALA N . 50825 1
67 . 1 . 1 38 38 VAL H H 1 7.709 0.000 . 1 . . . . . 38 VAL H . 50825 1
68 . 1 . 1 38 38 VAL N N 15 118.237 0.000 . 1 . . . . . 38 VAL N . 50825 1
69 . 1 . 1 39 39 ILE H H 1 8.065 0.000 . 1 . . . . . 39 ILE H . 50825 1
70 . 1 . 1 39 39 ILE N N 15 120.899 0.000 . 1 . . . . . 39 ILE N . 50825 1
71 . 1 . 1 40 40 ASP H H 1 9.512 0.000 . 1 . . . . . 40 ASP H . 50825 1
72 . 1 . 1 40 40 ASP N N 15 123.853 0.000 . 1 . . . . . 40 ASP N . 50825 1
73 . 1 . 1 41 41 ALA H H 1 7.563 0.000 . 1 . . . . . 41 ALA H . 50825 1
74 . 1 . 1 41 41 ALA N N 15 119.500 0.000 . 1 . . . . . 41 ALA N . 50825 1
75 . 1 . 1 42 42 GLY H H 1 8.080 0.000 . 1 . . . . . 42 GLY H . 50825 1
76 . 1 . 1 42 42 GLY N N 15 104.310 0.000 . 1 . . . . . 42 GLY N . 50825 1
77 . 1 . 1 43 43 ALA H H 1 7.259 0.000 . 1 . . . . . 43 ALA H . 50825 1
78 . 1 . 1 43 43 ALA N N 15 117.392 0.000 . 1 . . . . . 43 ALA N . 50825 1
79 . 1 . 1 44 44 LEU H H 1 9.213 0.000 . 1 . . . . . 44 LEU H . 50825 1
80 . 1 . 1 44 44 LEU N N 15 113.171 0.000 . 1 . . . . . 44 LEU N . 50825 1
81 . 1 . 1 46 46 ALA H H 1 7.181 0.000 . 1 . . . . . 46 ALA H . 50825 1
82 . 1 . 1 46 46 ALA N N 15 118.514 0.000 . 1 . . . . . 46 ALA N . 50825 1
83 . 1 . 1 47 47 LEU H H 1 8.094 0.000 . 1 . . . . . 47 LEU H . 50825 1
84 . 1 . 1 47 47 LEU N N 15 118.014 0.000 . 1 . . . . . 47 LEU N . 50825 1
85 . 1 . 1 48 48 VAL H H 1 8.362 0.000 . 1 . . . . . 48 VAL H . 50825 1
86 . 1 . 1 48 48 VAL N N 15 115.704 0.000 . 1 . . . . . 48 VAL N . 50825 1
87 . 1 . 1 49 49 GLN H H 1 7.697 0.000 . 1 . . . . . 49 GLN H . 50825 1
88 . 1 . 1 49 49 GLN N N 15 120.192 0.000 . 1 . . . . . 49 GLN N . 50825 1
89 . 1 . 1 50 50 LEU H H 1 7.820 0.000 . 1 . . . . . 50 LEU H . 50825 1
90 . 1 . 1 50 50 LEU N N 15 120.207 0.000 . 1 . . . . . 50 LEU N . 50825 1
91 . 1 . 1 51 51 LEU H H 1 7.470 0.000 . 1 . . . . . 51 LEU H . 50825 1
92 . 1 . 1 51 51 LEU N N 15 116.407 0.000 . 1 . . . . . 51 LEU N . 50825 1
93 . 1 . 1 52 52 CYS H H 1 7.517 0.000 . 1 . . . . . 52 CYS H . 50825 1
94 . 1 . 1 52 52 CYS N N 15 111.479 0.000 . 1 . . . . . 52 CYS N . 50825 1
95 . 1 . 1 53 53 SER H H 1 7.547 0.000 . 1 . . . . . 53 SER H . 50825 1
96 . 1 . 1 53 53 SER N N 15 117.115 0.000 . 1 . . . . . 53 SER N . 50825 1
97 . 1 . 1 55 55 ASN H H 1 8.345 0.000 . 1 . . . . . 55 ASN H . 50825 1
98 . 1 . 1 55 55 ASN N N 15 120.475 0.000 . 1 . . . . . 55 ASN N . 50825 1
99 . 1 . 1 56 56 GLU H H 1 9.121 0.000 . 1 . . . . . 56 GLU H . 50825 1
100 . 1 . 1 56 56 GLU N N 15 126.674 0.000 . 1 . . . . . 56 GLU N . 50825 1
101 . 1 . 1 57 57 GLN H H 1 8.139 0.000 . 1 . . . . . 57 GLN H . 50825 1
102 . 1 . 1 57 57 GLN N N 15 118.860 0.000 . 1 . . . . . 57 GLN N . 50825 1
103 . 1 . 1 58 58 ILE H H 1 7.413 0.000 . 1 . . . . . 58 ILE H . 50825 1
104 . 1 . 1 58 58 ILE N N 15 121.047 0.000 . 1 . . . . . 58 ILE N . 50825 1
105 . 1 . 1 59 59 LEU H H 1 8.175 0.000 . 1 . . . . . 59 LEU H . 50825 1
106 . 1 . 1 59 59 LEU N N 15 120.342 0.000 . 1 . . . . . 59 LEU N . 50825 1
107 . 1 . 1 60 60 GLN H H 1 7.978 0.000 . 1 . . . . . 60 GLN H . 50825 1
108 . 1 . 1 60 60 GLN N N 15 115.557 0.000 . 1 . . . . . 60 GLN N . 50825 1
109 . 1 . 1 61 61 GLU H H 1 7.644 0.000 . 1 . . . . . 61 GLU H . 50825 1
110 . 1 . 1 61 61 GLU N N 15 118.515 0.000 . 1 . . . . . 61 GLU N . 50825 1
111 . 1 . 1 62 62 ALA H H 1 8.785 0.000 . 1 . . . . . 62 ALA H . 50825 1
112 . 1 . 1 62 62 ALA N N 15 123.585 0.000 . 1 . . . . . 62 ALA N . 50825 1
113 . 1 . 1 63 63 LEU H H 1 8.517 0.000 . 1 . . . . . 63 LEU H . 50825 1
114 . 1 . 1 63 63 LEU N N 15 119.652 0.000 . 1 . . . . . 63 LEU N . 50825 1
115 . 1 . 1 64 64 TRP H H 1 8.370 0.000 . 1 . . . . . 64 TRP H . 50825 1
116 . 1 . 1 64 64 TRP N N 15 120.902 0.000 . 1 . . . . . 64 TRP N . 50825 1
117 . 1 . 1 65 65 ALA H H 1 8.086 0.000 . 1 . . . . . 65 ALA H . 50825 1
118 . 1 . 1 65 65 ALA N N 15 121.321 0.000 . 1 . . . . . 65 ALA N . 50825 1
119 . 1 . 1 66 66 LEU H H 1 8.589 0.000 . 1 . . . . . 66 LEU H . 50825 1
120 . 1 . 1 66 66 LEU N N 15 117.668 0.000 . 1 . . . . . 66 LEU N . 50825 1
121 . 1 . 1 67 67 SER H H 1 8.885 0.000 . 1 . . . . . 67 SER H . 50825 1
122 . 1 . 1 67 67 SER N N 15 114.709 0.000 . 1 . . . . . 67 SER N . 50825 1
123 . 1 . 1 68 68 ASN H H 1 7.861 0.000 . 1 . . . . . 68 ASN H . 50825 1
124 . 1 . 1 68 68 ASN N N 15 118.234 0.000 . 1 . . . . . 68 ASN N . 50825 1
125 . 1 . 1 69 69 ILE H H 1 8.076 0.000 . 1 . . . . . 69 ILE H . 50825 1
126 . 1 . 1 69 69 ILE N N 15 122.596 0.000 . 1 . . . . . 69 ILE N . 50825 1
127 . 1 . 1 70 70 ALA H H 1 8.416 0.000 . 1 . . . . . 70 ALA H . 50825 1
128 . 1 . 1 70 70 ALA N N 15 118.517 0.000 . 1 . . . . . 70 ALA N . 50825 1
129 . 1 . 1 71 71 SER H H 1 7.352 0.000 . 1 . . . . . 71 SER H . 50825 1
130 . 1 . 1 71 71 SER N N 15 112.042 0.000 . 1 . . . . . 71 SER N . 50825 1
131 . 1 . 1 72 72 GLY H H 1 7.990 0.000 . 1 . . . . . 72 GLY H . 50825 1
132 . 1 . 1 72 72 GLY N N 15 109.092 0.000 . 1 . . . . . 72 GLY N . 50825 1
133 . 1 . 1 73 73 GLY H H 1 7.946 0.000 . 1 . . . . . 73 GLY H . 50825 1
134 . 1 . 1 73 73 GLY N N 15 104.304 0.000 . 1 . . . . . 73 GLY N . 50825 1
135 . 1 . 1 75 75 GLU H H 1 9.511 0.000 . 1 . . . . . 75 GLU H . 50825 1
136 . 1 . 1 75 75 GLU N N 15 119.220 0.000 . 1 . . . . . 75 GLU N . 50825 1
137 . 1 . 1 76 76 GLN H H 1 7.532 0.000 . 1 . . . . . 76 GLN H . 50825 1
138 . 1 . 1 76 76 GLN N N 15 121.750 0.000 . 1 . . . . . 76 GLN N . 50825 1
139 . 1 . 1 77 77 LYS H H 1 8.321 0.000 . 1 . . . . . 77 LYS H . 50825 1
140 . 1 . 1 77 77 LYS N N 15 118.648 0.000 . 1 . . . . . 77 LYS N . 50825 1
141 . 1 . 1 78 78 GLN H H 1 8.240 0.000 . 1 . . . . . 78 GLN H . 50825 1
142 . 1 . 1 78 78 GLN N N 15 117.869 0.000 . 1 . . . . . 78 GLN N . 50825 1
143 . 1 . 1 79 79 ALA H H 1 7.548 0.000 . 1 . . . . . 79 ALA H . 50825 1
144 . 1 . 1 79 79 ALA N N 15 121.772 0.000 . 1 . . . . . 79 ALA N . 50825 1
145 . 1 . 1 80 80 VAL H H 1 7.689 0.000 . 1 . . . . . 80 VAL H . 50825 1
146 . 1 . 1 80 80 VAL N N 15 118.945 0.000 . 1 . . . . . 80 VAL N . 50825 1
147 . 1 . 1 81 81 LYS H H 1 7.992 0.000 . 1 . . . . . 81 LYS H . 50825 1
148 . 1 . 1 81 81 LYS N N 15 119.214 0.000 . 1 . . . . . 81 LYS N . 50825 1
149 . 1 . 1 82 82 GLU H H 1 8.917 0.000 . 1 . . . . . 82 GLU H . 50825 1
150 . 1 . 1 82 82 GLU N N 15 121.610 0.000 . 1 . . . . . 82 GLU N . 50825 1
151 . 1 . 1 83 83 ALA H H 1 7.431 0.000 . 1 . . . . . 83 ALA H . 50825 1
152 . 1 . 1 83 83 ALA N N 15 118.937 0.000 . 1 . . . . . 83 ALA N . 50825 1
153 . 1 . 1 84 84 GLY H H 1 7.854 0.000 . 1 . . . . . 84 GLY H . 50825 1
154 . 1 . 1 84 84 GLY N N 15 104.029 0.000 . 1 . . . . . 84 GLY N . 50825 1
155 . 1 . 1 85 85 ALA H H 1 7.120 0.000 . 1 . . . . . 85 ALA H . 50825 1
156 . 1 . 1 85 85 ALA N N 15 117.110 0.000 . 1 . . . . . 85 ALA N . 50825 1
157 . 1 . 1 86 86 LEU H H 1 9.035 0.000 . 1 . . . . . 86 LEU H . 50825 1
158 . 1 . 1 86 86 LEU N N 15 115.853 0.000 . 1 . . . . . 86 LEU N . 50825 1
159 . 1 . 1 87 87 GLU H H 1 8.355 0.000 . 1 . . . . . 87 GLU H . 50825 1
160 . 1 . 1 87 87 GLU N N 15 117.110 0.000 . 1 . . . . . 87 GLU N . 50825 1
161 . 1 . 1 88 88 LYS H H 1 6.781 0.000 . 1 . . . . . 88 LYS H . 50825 1
162 . 1 . 1 88 88 LYS N N 15 116.129 0.000 . 1 . . . . . 88 LYS N . 50825 1
163 . 1 . 1 89 89 LEU H H 1 8.409 0.000 . 1 . . . . . 89 LEU H . 50825 1
164 . 1 . 1 89 89 LEU N N 15 119.493 0.000 . 1 . . . . . 89 LEU N . 50825 1
165 . 1 . 1 90 90 GLU H H 1 8.345 0.000 . 1 . . . . . 90 GLU H . 50825 1
166 . 1 . 1 90 90 GLU N N 15 117.670 0.000 . 1 . . . . . 90 GLU N . 50825 1
167 . 1 . 1 91 91 GLN H H 1 7.437 0.000 . 1 . . . . . 91 GLN H . 50825 1
168 . 1 . 1 91 91 GLN N N 15 118.093 0.000 . 1 . . . . . 91 GLN N . 50825 1
169 . 1 . 1 92 92 LEU H H 1 7.827 0.000 . 1 . . . . . 92 LEU H . 50825 1
170 . 1 . 1 92 92 LEU N N 15 120.101 0.000 . 1 . . . . . 92 LEU N . 50825 1
171 . 1 . 1 93 93 GLN H H 1 7.510 0.000 . 1 . . . . . 93 GLN H . 50825 1
172 . 1 . 1 93 93 GLN N N 15 116.396 0.000 . 1 . . . . . 93 GLN N . 50825 1
173 . 1 . 1 94 94 SER H H 1 7.626 0.000 . 1 . . . . . 94 SER H . 50825 1
174 . 1 . 1 94 94 SER N N 15 111.049 0.000 . 1 . . . . . 94 SER N . 50825 1
175 . 1 . 1 95 95 HIS H H 1 7.641 0.000 . 1 . . . . . 95 HIS H . 50825 1
176 . 1 . 1 95 95 HIS N N 15 124.849 0.000 . 1 . . . . . 95 HIS N . 50825 1
177 . 1 . 1 96 96 GLU H H 1 8.049 0.000 . 1 . . . . . 96 GLU H . 50825 1
178 . 1 . 1 96 96 GLU N N 15 124.285 0.000 . 1 . . . . . 96 GLU N . 50825 1
179 . 1 . 1 97 97 ASN H H 1 11.553 0.000 . 1 . . . . . 97 ASN H . 50825 1
180 . 1 . 1 97 97 ASN N N 15 124.563 0.000 . 1 . . . . . 97 ASN N . 50825 1
181 . 1 . 1 98 98 GLU H H 1 9.113 0.000 . 1 . . . . . 98 GLU H . 50825 1
182 . 1 . 1 98 98 GLU N N 15 127.938 0.000 . 1 . . . . . 98 GLU N . 50825 1
183 . 1 . 1 99 99 LYS H H 1 8.249 0.000 . 1 . . . . . 99 LYS H . 50825 1
184 . 1 . 1 99 99 LYS N N 15 119.763 0.000 . 1 . . . . . 99 LYS N . 50825 1
185 . 1 . 1 100 100 ILE H H 1 7.204 0.000 . 1 . . . . . 100 ILE H . 50825 1
186 . 1 . 1 100 100 ILE N N 15 120.486 0.000 . 1 . . . . . 100 ILE N . 50825 1
187 . 1 . 1 101 101 GLN H H 1 8.090 0.000 . 1 . . . . . 101 GLN H . 50825 1
188 . 1 . 1 101 101 GLN N N 15 118.080 0.000 . 1 . . . . . 101 GLN N . 50825 1
189 . 1 . 1 102 102 LYS H H 1 7.829 0.000 . 1 . . . . . 102 LYS H . 50825 1
190 . 1 . 1 102 102 LYS N N 15 117.669 0.000 . 1 . . . . . 102 LYS N . 50825 1
191 . 1 . 1 103 103 GLU H H 1 8.087 0.000 . 1 . . . . . 103 GLU H . 50825 1
192 . 1 . 1 103 103 GLU N N 15 119.785 0.000 . 1 . . . . . 103 GLU N . 50825 1
193 . 1 . 1 104 104 ALA H H 1 8.932 0.000 . 1 . . . . . 104 ALA H . 50825 1
194 . 1 . 1 104 104 ALA N N 15 122.736 0.000 . 1 . . . . . 104 ALA N . 50825 1
195 . 1 . 1 105 105 GLN H H 1 8.160 0.000 . 1 . . . . . 105 GLN H . 50825 1
196 . 1 . 1 105 105 GLN N N 15 118.374 0.000 . 1 . . . . . 105 GLN N . 50825 1
197 . 1 . 1 106 106 GLU H H 1 8.291 0.000 . 1 . . . . . 106 GLU H . 50825 1
198 . 1 . 1 106 106 GLU N N 15 119.358 0.000 . 1 . . . . . 106 GLU N . 50825 1
199 . 1 . 1 107 107 ALA H H 1 8.148 0.000 . 1 . . . . . 107 ALA H . 50825 1
200 . 1 . 1 107 107 ALA N N 15 122.028 0.000 . 1 . . . . . 107 ALA N . 50825 1
201 . 1 . 1 108 108 LEU H H 1 8.260 0.000 . 1 . . . . . 108 LEU H . 50825 1
202 . 1 . 1 108 108 LEU N N 15 118.654 0.000 . 1 . . . . . 108 LEU N . 50825 1
203 . 1 . 1 109 109 GLU H H 1 8.122 0.000 . 1 . . . . . 109 GLU H . 50825 1
204 . 1 . 1 109 109 GLU N N 15 118.657 0.000 . 1 . . . . . 109 GLU N . 50825 1
205 . 1 . 1 110 110 LYS H H 1 7.842 0.000 . 1 . . . . . 110 LYS H . 50825 1
206 . 1 . 1 110 110 LYS N N 15 118.937 0.000 . 1 . . . . . 110 LYS N . 50825 1
207 . 1 . 1 111 111 LEU H H 1 7.878 0.000 . 1 . . . . . 111 LEU H . 50825 1
208 . 1 . 1 111 111 LEU N N 15 117.240 0.000 . 1 . . . . . 111 LEU N . 50825 1
209 . 1 . 1 112 112 GLN H H 1 7.711 0.000 . 1 . . . . . 112 GLN H . 50825 1
210 . 1 . 1 112 112 GLN N N 15 116.123 0.000 . 1 . . . . . 112 GLN N . 50825 1
211 . 1 . 1 113 113 SER H H 1 7.829 0.000 . 1 . . . . . 113 SER H . 50825 1
212 . 1 . 1 113 113 SER N N 15 116.821 0.000 . 1 . . . . . 113 SER N . 50825 1
213 . 1 . 1 114 114 HIS H H 1 8.253 0.000 . 1 . . . . . 114 HIS H . 50825 1
214 . 1 . 1 114 114 HIS N N 15 125.831 0.000 . 1 . . . . . 114 HIS N . 50825 1
stop_
save_