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 52456
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'FF1 8M urea'
_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-15N HSQC' . . . 52456 1
4 '3D HNCACB' . . . 52456 1
5 '3D HN(CO)CACB' . . . 52456 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 . . 52456 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 GLN H H 1 8.565 0.004 . 1 . . . . . 3 GLN H . 52456 1
2 . 1 . 1 4 4 GLN C C 13 175.879 0.000 . 1 . . . . . 3 GLN C . 52456 1
3 . 1 . 1 4 4 GLN CA C 13 56.126 0.010 . 1 . . . . . 3 GLN CA . 52456 1
4 . 1 . 1 4 4 GLN CB C 13 29.675 0.011 . 1 . . . . . 3 GLN CB . 52456 1
5 . 1 . 1 4 4 GLN N N 15 122.192 0.049 . 1 . . . . . 3 GLN N . 52456 1
6 . 1 . 1 5 5 ILE H H 1 8.348 0.003 . 1 . . . . . 4 ILE H . 52456 1
7 . 1 . 1 5 5 ILE C C 13 175.923 0.013 . 1 . . . . . 4 ILE C . 52456 1
8 . 1 . 1 5 5 ILE CA C 13 61.189 0.031 . 1 . . . . . 4 ILE CA . 52456 1
9 . 1 . 1 5 5 ILE CB C 13 39.010 0.016 . 1 . . . . . 4 ILE CB . 52456 1
10 . 1 . 1 5 5 ILE N N 15 122.799 0.014 . 1 . . . . . 4 ILE N . 52456 1
11 . 1 . 1 6 6 ALA H H 1 8.550 0.003 . 1 . . . . . 5 ALA H . 52456 1
12 . 1 . 1 6 6 ALA C C 13 177.748 0.008 . 1 . . . . . 5 ALA C . 52456 1
13 . 1 . 1 6 6 ALA CA C 13 52.619 0.010 . 1 . . . . . 5 ALA CA . 52456 1
14 . 1 . 1 6 6 ALA CB C 13 19.470 0.031 . 1 . . . . . 5 ALA CB . 52456 1
15 . 1 . 1 6 6 ALA N N 15 128.519 0.028 . 1 . . . . . 5 ALA N . 52456 1
16 . 1 . 1 7 7 THR H H 1 8.265 0.004 . 1 . . . . . 6 THR H . 52456 1
17 . 1 . 1 7 7 THR C C 13 174.494 0.013 . 1 . . . . . 6 THR C . 52456 1
18 . 1 . 1 7 7 THR CA C 13 61.731 0.032 . 1 . . . . . 6 THR CA . 52456 1
19 . 1 . 1 7 7 THR CB C 13 70.301 0.066 . 1 . . . . . 6 THR CB . 52456 1
20 . 1 . 1 7 7 THR N N 15 113.746 0.052 . 1 . . . . . 6 THR N . 52456 1
21 . 1 . 1 8 8 ALA H H 1 8.444 0.004 . 1 . . . . . 7 ALA H . 52456 1
22 . 1 . 1 8 8 ALA C C 13 177.756 0.018 . 1 . . . . . 7 ALA C . 52456 1
23 . 1 . 1 8 8 ALA CA C 13 52.724 0.076 . 1 . . . . . 7 ALA CA . 52456 1
24 . 1 . 1 8 8 ALA CB C 13 19.394 0.009 . 1 . . . . . 7 ALA CB . 52456 1
25 . 1 . 1 8 8 ALA N N 15 126.349 0.028 . 1 . . . . . 7 ALA N . 52456 1
26 . 1 . 1 9 9 LYS H H 1 8.401 0.003 . 1 . . . . . 8 LYS H . 52456 1
27 . 1 . 1 9 9 LYS C C 13 176.482 0.014 . 1 . . . . . 8 LYS C . 52456 1
28 . 1 . 1 9 9 LYS CA C 13 56.836 0.015 . 1 . . . . . 8 LYS CA . 52456 1
29 . 1 . 1 9 9 LYS CB C 13 33.338 0.021 . 1 . . . . . 8 LYS CB . 52456 1
30 . 1 . 1 9 9 LYS N N 15 120.783 0.032 . 1 . . . . . 8 LYS N . 52456 1
31 . 1 . 1 10 10 ASP H H 1 8.393 0.003 . 1 . . . . . 9 ASP H . 52456 1
32 . 1 . 1 10 10 ASP C C 13 176.218 0.015 . 1 . . . . . 9 ASP C . 52456 1
33 . 1 . 1 10 10 ASP CA C 13 54.583 0.016 . 1 . . . . . 9 ASP CA . 52456 1
34 . 1 . 1 10 10 ASP CB C 13 41.707 0.005 . 1 . . . . . 9 ASP CB . 52456 1
35 . 1 . 1 10 10 ASP N N 15 121.031 0.024 . 1 . . . . . 9 ASP N . 52456 1
36 . 1 . 1 11 11 LYS H H 1 8.244 0.004 . 1 . . . . . 10 LYS H . 52456 1
37 . 1 . 1 11 11 LYS C C 13 176.263 0.015 . 1 . . . . . 10 LYS C . 52456 1
38 . 1 . 1 11 11 LYS CA C 13 56.909 0.008 . 1 . . . . . 10 LYS CA . 52456 1
39 . 1 . 1 11 11 LYS CB C 13 33.262 0.003 . 1 . . . . . 10 LYS CB . 52456 1
40 . 1 . 1 11 11 LYS N N 15 121.200 0.030 . 1 . . . . . 10 LYS N . 52456 1
41 . 1 . 1 12 12 TYR H H 1 8.308 0.005 . 1 . . . . . 11 TYR H . 52456 1
42 . 1 . 1 12 12 TYR C C 13 175.945 0.012 . 1 . . . . . 11 TYR C . 52456 1
43 . 1 . 1 12 12 TYR CA C 13 58.108 0.010 . 1 . . . . . 11 TYR CA . 52456 1
44 . 1 . 1 12 12 TYR CB C 13 38.828 0.010 . 1 . . . . . 11 TYR CB . 52456 1
45 . 1 . 1 12 12 TYR N N 15 120.981 0.025 . 1 . . . . . 11 TYR N . 52456 1
46 . 1 . 1 13 13 GLU H H 1 8.430 0.003 . 1 . . . . . 12 GLU H . 52456 1
47 . 1 . 1 13 13 GLU C C 13 176.055 0.024 . 1 . . . . . 12 GLU C . 52456 1
48 . 1 . 1 13 13 GLU CA C 13 56.992 0.004 . 1 . . . . . 12 GLU CA . 52456 1
49 . 1 . 1 13 13 GLU CB C 13 30.541 0.006 . 1 . . . . . 12 GLU CB . 52456 1
50 . 1 . 1 13 13 GLU N N 15 122.428 0.029 . 1 . . . . . 12 GLU N . 52456 1
51 . 1 . 1 14 14 TRP H H 1 8.121 0.004 . 1 . . . . . 13 TRP H . 52456 1
52 . 1 . 1 14 14 TRP C C 13 176.076 0.033 . 1 . . . . . 13 TRP C . 52456 1
53 . 1 . 1 14 14 TRP CA C 13 57.294 0.035 . 1 . . . . . 13 TRP CA . 52456 1
54 . 1 . 1 14 14 TRP CB C 13 29.652 0.012 . 1 . . . . . 13 TRP CB . 52456 1
55 . 1 . 1 14 14 TRP N N 15 121.612 0.023 . 1 . . . . . 13 TRP N . 52456 1
56 . 1 . 1 15 15 LEU H H 1 8.162 0.003 . 1 . . . . . 14 LEU H . 52456 1
57 . 1 . 1 15 15 LEU C C 13 177.193 0.014 . 1 . . . . . 14 LEU C . 52456 1
58 . 1 . 1 15 15 LEU CA C 13 55.393 0.006 . 1 . . . . . 14 LEU CA . 52456 1
59 . 1 . 1 15 15 LEU CB C 13 42.565 0.003 . 1 . . . . . 14 LEU CB . 52456 1
60 . 1 . 1 15 15 LEU N N 15 123.724 0.027 . 1 . . . . . 14 LEU N . 52456 1
61 . 1 . 1 16 16 VAL H H 1 8.152 0.004 . 1 . . . . . 15 VAL H . 52456 1
62 . 1 . 1 16 16 VAL C C 13 176.224 0.021 . 1 . . . . . 15 VAL C . 52456 1
63 . 1 . 1 16 16 VAL CA C 13 62.595 0.098 . 1 . . . . . 15 VAL CA . 52456 1
64 . 1 . 1 16 16 VAL CB C 13 32.923 0.024 . 1 . . . . . 15 VAL CB . 52456 1
65 . 1 . 1 16 16 VAL N N 15 120.664 0.025 . 1 . . . . . 15 VAL N . 52456 1
66 . 1 . 1 17 17 SER H H 1 8.387 0.005 . 1 . . . . . 16 SER H . 52456 1
67 . 1 . 1 17 17 SER C C 13 174.493 0.011 . 1 . . . . . 16 SER C . 52456 1
68 . 1 . 1 17 17 SER CA C 13 58.524 0.011 . 1 . . . . . 16 SER CA . 52456 1
69 . 1 . 1 17 17 SER CB C 13 63.975 0.055 . 1 . . . . . 16 SER CB . 52456 1
70 . 1 . 1 17 17 SER N N 15 119.091 0.026 . 1 . . . . . 16 SER N . 52456 1
71 . 1 . 1 18 18 ARG H H 1 8.435 0.004 . 1 . . . . . 17 ARG H . 52456 1
72 . 1 . 1 18 18 ARG C C 13 175.958 0.017 . 1 . . . . . 17 ARG C . 52456 1
73 . 1 . 1 18 18 ARG CA C 13 56.195 0.009 . 1 . . . . . 17 ARG CA . 52456 1
74 . 1 . 1 18 18 ARG CB C 13 31.065 0.096 . 1 . . . . . 17 ARG CB . 52456 1
75 . 1 . 1 18 18 ARG N N 15 123.480 0.062 . 1 . . . . . 17 ARG N . 52456 1
76 . 1 . 1 19 19 ILE H H 1 8.308 0.006 . 1 . . . . . 18 ILE H . 52456 1
77 . 1 . 1 19 19 ILE C C 13 176.110 0.014 . 1 . . . . . 18 ILE C . 52456 1
78 . 1 . 1 19 19 ILE CA C 13 61.238 0.011 . 1 . . . . . 18 ILE CA . 52456 1
79 . 1 . 1 19 19 ILE CB C 13 38.879 0.015 . 1 . . . . . 18 ILE CB . 52456 1
80 . 1 . 1 19 19 ILE N N 15 122.590 0.018 . 1 . . . . . 18 ILE N . 52456 1
81 . 1 . 1 20 20 VAL H H 1 8.417 0.003 . 1 . . . . . 19 VAL H . 52456 1
82 . 1 . 1 20 20 VAL C C 13 175.857 0.010 . 1 . . . . . 19 VAL C . 52456 1
83 . 1 . 1 20 20 VAL CA C 13 62.246 0.025 . 1 . . . . . 19 VAL CA . 52456 1
84 . 1 . 1 20 20 VAL CB C 13 32.951 0.011 . 1 . . . . . 19 VAL CB . 52456 1
85 . 1 . 1 20 20 VAL N N 15 125.865 0.015 . 1 . . . . . 19 VAL N . 52456 1
86 . 1 . 1 21 21 LYS H H 1 8.541 0.003 . 1 . . . . . 20 LYS H . 52456 1
87 . 1 . 1 21 21 LYS C C 13 175.983 0.000 . 1 . . . . . 20 LYS C . 52456 1
88 . 1 . 1 21 21 LYS CA C 13 56.235 0.000 . 1 . . . . . 20 LYS CA . 52456 1
89 . 1 . 1 21 21 LYS CB C 13 33.500 0.000 . 1 . . . . . 20 LYS CB . 52456 1
90 . 1 . 1 21 21 LYS N N 15 125.973 0.025 . 1 . . . . . 20 LYS N . 52456 1
91 . 1 . 1 22 22 ASN H H 1 8.625 0.021 . 1 . . . . . 21 ASN H . 52456 1
92 . 1 . 1 22 22 ASN C C 13 176.265 0.000 . 1 . . . . . 21 ASN C . 52456 1
93 . 1 . 1 22 22 ASN CA C 13 52.741 0.000 . 1 . . . . . 21 ASN CA . 52456 1
94 . 1 . 1 22 22 ASN CB C 13 39.186 0.000 . 1 . . . . . 21 ASN CB . 52456 1
95 . 1 . 1 22 22 ASN N N 15 120.611 0.047 . 1 . . . . . 21 ASN N . 52456 1
96 . 1 . 1 23 23 HIS CA C 13 56.995 0.000 . 1 . . . . . 22 HIS CA . 52456 1
97 . 1 . 1 24 24 ASN H H 1 8.475 0.005 . 1 . . . . . 23 ASN H . 52456 1
98 . 1 . 1 24 24 ASN C C 13 175.286 0.000 . 1 . . . . . 23 ASN C . 52456 1
99 . 1 . 1 24 24 ASN CA C 13 53.404 0.087 . 1 . . . . . 23 ASN CA . 52456 1
100 . 1 . 1 24 24 ASN CB C 13 39.037 0.024 . 1 . . . . . 23 ASN CB . 52456 1
101 . 1 . 1 24 24 ASN N N 15 119.855 0.042 . 1 . . . . . 23 ASN N . 52456 1
102 . 1 . 1 25 25 GLU H H 1 8.572 0.004 . 1 . . . . . 24 GLU H . 52456 1
103 . 1 . 1 25 25 GLU C C 13 176.283 0.017 . 1 . . . . . 24 GLU C . 52456 1
104 . 1 . 1 25 25 GLU CA C 13 56.984 0.013 . 1 . . . . . 24 GLU CA . 52456 1
105 . 1 . 1 25 25 GLU CB C 13 30.201 0.053 . 1 . . . . . 24 GLU CB . 52456 1
106 . 1 . 1 25 25 GLU N N 15 121.394 0.028 . 1 . . . . . 24 GLU N . 52456 1
107 . 1 . 1 26 26 ASN H H 1 8.499 0.003 . 1 . . . . . 25 ASN H . 52456 1
108 . 1 . 1 26 26 ASN C C 13 175.257 0.020 . 1 . . . . . 25 ASN C . 52456 1
109 . 1 . 1 26 26 ASN CA C 13 53.461 0.024 . 1 . . . . . 25 ASN CA . 52456 1
110 . 1 . 1 26 26 ASN CB C 13 38.934 0.005 . 1 . . . . . 25 ASN CB . 52456 1
111 . 1 . 1 26 26 ASN N N 15 119.379 0.018 . 1 . . . . . 25 ASN N . 52456 1
112 . 1 . 1 27 27 TRP H H 1 8.154 0.005 . 1 . . . . . 26 TRP H . 52456 1
113 . 1 . 1 27 27 TRP C C 13 176.175 0.014 . 1 . . . . . 26 TRP C . 52456 1
114 . 1 . 1 27 27 TRP CA C 13 57.683 0.062 . 1 . . . . . 26 TRP CA . 52456 1
115 . 1 . 1 27 27 TRP CB C 13 29.628 0.014 . 1 . . . . . 26 TRP CB . 52456 1
116 . 1 . 1 27 27 TRP N N 15 121.573 0.024 . 1 . . . . . 26 TRP N . 52456 1
117 . 1 . 1 28 28 LEU H H 1 8.115 0.003 . 1 . . . . . 27 LEU H . 52456 1
118 . 1 . 1 28 28 LEU C C 13 177.263 0.013 . 1 . . . . . 27 LEU C . 52456 1
119 . 1 . 1 28 28 LEU CA C 13 55.397 0.017 . 1 . . . . . 27 LEU CA . 52456 1
120 . 1 . 1 28 28 LEU CB C 13 42.604 0.014 . 1 . . . . . 27 LEU CB . 52456 1
121 . 1 . 1 28 28 LEU N N 15 123.052 0.029 . 1 . . . . . 27 LEU N . 52456 1
122 . 1 . 1 29 29 SER H H 1 8.270 0.005 . 1 . . . . . 28 SER H . 52456 1
123 . 1 . 1 29 29 SER C C 13 174.836 0.005 . 1 . . . . . 28 SER C . 52456 1
124 . 1 . 1 29 29 SER CA C 13 58.542 0.025 . 1 . . . . . 28 SER CA . 52456 1
125 . 1 . 1 29 29 SER CB C 13 63.917 0.018 . 1 . . . . . 28 SER CB . 52456 1
126 . 1 . 1 29 29 SER N N 15 116.582 0.018 . 1 . . . . . 28 SER N . 52456 1
127 . 1 . 1 30 30 VAL H H 1 8.159 0.002 . 1 . . . . . 29 VAL H . 52456 1
128 . 1 . 1 30 30 VAL C C 13 176.226 0.010 . 1 . . . . . 29 VAL C . 52456 1
129 . 1 . 1 30 30 VAL CA C 13 62.487 0.005 . 1 . . . . . 29 VAL CA . 52456 1
130 . 1 . 1 30 30 VAL CB C 13 32.938 0.010 . 1 . . . . . 29 VAL CB . 52456 1
131 . 1 . 1 30 30 VAL N N 15 121.203 0.032 . 1 . . . . . 29 VAL N . 52456 1
132 . 1 . 1 31 31 SER H H 1 8.404 0.008 . 1 . . . . . 30 SER H . 52456 1
133 . 1 . 1 31 31 SER C C 13 174.758 0.029 . 1 . . . . . 30 SER C . 52456 1
134 . 1 . 1 31 31 SER CA C 13 58.532 0.000 . 1 . . . . . 30 SER CA . 52456 1
135 . 1 . 1 31 31 SER CB C 13 63.991 0.060 . 1 . . . . . 30 SER CB . 52456 1
136 . 1 . 1 31 31 SER N N 15 118.969 0.049 . 1 . . . . . 30 SER N . 52456 1
137 . 1 . 1 32 32 ARG H H 1 8.450 0.007 . 1 . . . . . 31 ARG H . 52456 1
138 . 1 . 1 32 32 ARG C C 13 175.945 0.000 . 1 . . . . . 31 ARG C . 52456 1
139 . 1 . 1 32 32 ARG CA C 13 56.030 0.000 . 1 . . . . . 31 ARG CA . 52456 1
140 . 1 . 1 32 32 ARG CB C 13 31.029 0.000 . 1 . . . . . 31 ARG CB . 52456 1
141 . 1 . 1 32 32 ARG N N 15 123.541 0.038 . 1 . . . . . 31 ARG N . 52456 1
142 . 1 . 1 33 33 LYS N N 15 122.800 0.000 . 1 . . . . . 32 LYS N . 52456 1
143 . 1 . 1 34 34 MET H H 1 8.570 0.007 . 1 . . . . . 33 MET H . 52456 1
144 . 1 . 1 34 34 MET C C 13 176.216 0.015 . 1 . . . . . 33 MET C . 52456 1
145 . 1 . 1 34 34 MET CA C 13 55.742 0.004 . 1 . . . . . 33 MET CA . 52456 1
146 . 1 . 1 34 34 MET CB C 13 33.271 0.064 . 1 . . . . . 33 MET CB . 52456 1
147 . 1 . 1 34 34 MET N N 15 122.219 0.081 . 1 . . . . . 33 MET N . 52456 1
148 . 1 . 1 35 35 GLN H H 1 8.550 0.005 . 1 . . . . . 34 GLN H . 52456 1
149 . 1 . 1 35 35 GLN C C 13 175.506 0.016 . 1 . . . . . 34 GLN C . 52456 1
150 . 1 . 1 35 35 GLN CA C 13 55.915 0.032 . 1 . . . . . 34 GLN CA . 52456 1
151 . 1 . 1 35 35 GLN CB C 13 29.867 0.053 . 1 . . . . . 34 GLN CB . 52456 1
152 . 1 . 1 35 35 GLN N N 15 122.075 0.073 . 1 . . . . . 34 GLN N . 52456 1
153 . 1 . 1 36 36 ALA H H 1 8.485 0.004 . 1 . . . . . 35 ALA H . 52456 1
154 . 1 . 1 36 36 ALA C C 13 177.385 0.015 . 1 . . . . . 35 ALA C . 52456 1
155 . 1 . 1 36 36 ALA CA C 13 52.520 0.031 . 1 . . . . . 35 ALA CA . 52456 1
156 . 1 . 1 36 36 ALA CB C 13 19.637 0.031 . 1 . . . . . 35 ALA CB . 52456 1
157 . 1 . 1 36 36 ALA N N 15 125.723 0.041 . 1 . . . . . 35 ALA N . 52456 1
158 . 1 . 1 37 37 SER H H 1 8.454 0.003 . 1 . . . . . 36 SER H . 52456 1
159 . 1 . 1 37 37 SER C C 13 172.953 0.000 . 1 . . . . . 36 SER C . 52456 1
160 . 1 . 1 37 37 SER CA C 13 56.653 0.000 . 1 . . . . . 36 SER CA . 52456 1
161 . 1 . 1 37 37 SER CB C 13 63.497 0.000 . 1 . . . . . 36 SER CB . 52456 1
162 . 1 . 1 37 37 SER N N 15 116.760 0.020 . 1 . . . . . 36 SER N . 52456 1
163 . 1 . 1 38 38 PRO C C 13 176.769 0.014 . 1 . . . . . 37 PRO C . 52456 1
164 . 1 . 1 38 38 PRO CA C 13 63.694 0.014 . 1 . . . . . 37 PRO CA . 52456 1
165 . 1 . 1 38 38 PRO CB C 13 32.177 0.007 . 1 . . . . . 37 PRO CB . 52456 1
166 . 1 . 1 39 39 GLU H H 1 8.589 0.004 . 1 . . . . . 38 GLU H . 52456 1
167 . 1 . 1 39 39 GLU C C 13 176.283 0.014 . 1 . . . . . 38 GLU C . 52456 1
168 . 1 . 1 39 39 GLU CA C 13 56.968 0.005 . 1 . . . . . 38 GLU CA . 52456 1
169 . 1 . 1 39 39 GLU CB C 13 30.445 0.010 . 1 . . . . . 38 GLU CB . 52456 1
170 . 1 . 1 39 39 GLU N N 15 120.499 0.033 . 1 . . . . . 38 GLU N . 52456 1
171 . 1 . 1 40 40 TYR H H 1 8.203 0.004 . 1 . . . . . 39 TYR H . 52456 1
172 . 1 . 1 40 40 TYR C C 13 175.692 0.013 . 1 . . . . . 39 TYR C . 52456 1
173 . 1 . 1 40 40 TYR CA C 13 58.109 0.008 . 1 . . . . . 39 TYR CA . 52456 1
174 . 1 . 1 40 40 TYR CB C 13 39.019 0.005 . 1 . . . . . 39 TYR CB . 52456 1
175 . 1 . 1 40 40 TYR N N 15 120.850 0.006 . 1 . . . . . 39 TYR N . 52456 1
176 . 1 . 1 41 41 GLN H H 1 8.314 0.004 . 1 . . . . . 40 GLN H . 52456 1
177 . 1 . 1 41 41 GLN C C 13 175.170 0.013 . 1 . . . . . 40 GLN C . 52456 1
178 . 1 . 1 41 41 GLN CA C 13 55.756 0.017 . 1 . . . . . 40 GLN CA . 52456 1
179 . 1 . 1 41 41 GLN CB C 13 30.098 0.002 . 1 . . . . . 40 GLN CB . 52456 1
180 . 1 . 1 41 41 GLN N N 15 122.110 0.016 . 1 . . . . . 40 GLN N . 52456 1
181 . 1 . 1 42 42 ASP H H 1 8.386 0.004 . 1 . . . . . 41 ASP H . 52456 1
182 . 1 . 1 42 42 ASP C C 13 175.820 0.013 . 1 . . . . . 41 ASP C . 52456 1
183 . 1 . 1 42 42 ASP CA C 13 54.521 0.007 . 1 . . . . . 41 ASP CA . 52456 1
184 . 1 . 1 42 42 ASP CB C 13 41.639 0.004 . 1 . . . . . 41 ASP CB . 52456 1
185 . 1 . 1 42 42 ASP N N 15 121.749 0.020 . 1 . . . . . 41 ASP N . 52456 1
186 . 1 . 1 43 43 TYR H H 1 8.165 0.003 . 1 . . . . . 42 TYR H . 52456 1
187 . 1 . 1 43 43 TYR C C 13 175.444 0.011 . 1 . . . . . 42 TYR C . 52456 1
188 . 1 . 1 43 43 TYR CA C 13 58.186 0.009 . 1 . . . . . 42 TYR CA . 52456 1
189 . 1 . 1 43 43 TYR CB C 13 39.173 0.043 . 1 . . . . . 42 TYR CB . 52456 1
190 . 1 . 1 43 43 TYR N N 15 120.468 0.016 . 1 . . . . . 42 TYR N . 52456 1
191 . 1 . 1 44 44 VAL H H 1 8.067 0.003 . 1 . . . . . 43 VAL H . 52456 1
192 . 1 . 1 44 44 VAL C C 13 175.399 0.016 . 1 . . . . . 43 VAL C . 52456 1
193 . 1 . 1 44 44 VAL CA C 13 62.429 0.018 . 1 . . . . . 43 VAL CA . 52456 1
194 . 1 . 1 44 44 VAL CB C 13 33.157 0.002 . 1 . . . . . 43 VAL CB . 52456 1
195 . 1 . 1 44 44 VAL N N 15 122.584 0.018 . 1 . . . . . 43 VAL N . 52456 1
196 . 1 . 1 45 45 TYR H H 1 8.355 0.004 . 1 . . . . . 44 TYR H . 52456 1
197 . 1 . 1 45 45 TYR C C 13 175.612 0.012 . 1 . . . . . 44 TYR C . 52456 1
198 . 1 . 1 45 45 TYR CA C 13 58.032 0.022 . 1 . . . . . 44 TYR CA . 52456 1
199 . 1 . 1 45 45 TYR CB C 13 38.942 0.004 . 1 . . . . . 44 TYR CB . 52456 1
200 . 1 . 1 45 45 TYR N N 15 124.552 0.036 . 1 . . . . . 44 TYR N . 52456 1
201 . 1 . 1 46 46 LEU H H 1 8.286 0.004 . 1 . . . . . 45 LEU H . 52456 1
202 . 1 . 1 46 46 LEU C C 13 176.988 0.014 . 1 . . . . . 45 LEU C . 52456 1
203 . 1 . 1 46 46 LEU CA C 13 54.964 0.012 . 1 . . . . . 45 LEU CA . 52456 1
204 . 1 . 1 46 46 LEU CB C 13 42.874 0.003 . 1 . . . . . 45 LEU CB . 52456 1
205 . 1 . 1 46 46 LEU N N 15 125.135 0.009 . 1 . . . . . 45 LEU N . 52456 1
206 . 1 . 1 47 47 GLU H H 1 8.504 0.005 . 1 . . . . . 46 GLU H . 52456 1
207 . 1 . 1 47 47 GLU C C 13 177.071 0.015 . 1 . . . . . 46 GLU C . 52456 1
208 . 1 . 1 47 47 GLU CA C 13 56.992 0.004 . 1 . . . . . 46 GLU CA . 52456 1
209 . 1 . 1 47 47 GLU CB C 13 30.557 0.026 . 1 . . . . . 46 GLU CB . 52456 1
210 . 1 . 1 47 47 GLU N N 15 122.284 0.019 . 1 . . . . . 46 GLU N . 52456 1
211 . 1 . 1 48 48 GLY H H 1 8.509 0.005 . 1 . . . . . 47 GLY H . 52456 1
212 . 1 . 1 48 48 GLY C C 13 174.582 0.004 . 1 . . . . . 47 GLY C . 52456 1
213 . 1 . 1 48 48 GLY CA C 13 45.574 0.073 . 1 . . . . . 47 GLY CA . 52456 1
214 . 1 . 1 48 48 GLY N N 15 109.904 0.029 . 1 . . . . . 47 GLY N . 52456 1
215 . 1 . 1 49 49 THR H H 1 8.160 0.002 . 1 . . . . . 48 THR H . 52456 1
216 . 1 . 1 49 49 THR C C 13 174.932 0.008 . 1 . . . . . 48 THR C . 52456 1
217 . 1 . 1 49 49 THR CA C 13 62.184 0.026 . 1 . . . . . 48 THR CA . 52456 1
218 . 1 . 1 49 49 THR CB C 13 70.120 0.022 . 1 . . . . . 48 THR CB . 52456 1
219 . 1 . 1 49 49 THR N N 15 113.041 0.031 . 1 . . . . . 48 THR N . 52456 1
220 . 1 . 1 50 50 GLN H H 1 8.568 0.009 . 1 . . . . . 49 GLN H . 52456 1
221 . 1 . 1 50 50 GLN C C 13 176.050 0.020 . 1 . . . . . 49 GLN C . 52456 1
222 . 1 . 1 50 50 GLN CA C 13 56.462 0.056 . 1 . . . . . 49 GLN CA . 52456 1
223 . 1 . 1 50 50 GLN CB C 13 31.048 0.001 . 1 . . . . . 49 GLN CB . 52456 1
224 . 1 . 1 50 50 GLN N N 15 122.591 0.033 . 1 . . . . . 49 GLN N . 52456 1
225 . 1 . 1 51 51 LYS H H 1 8.468 0.009 . 1 . . . . . 50 LYS H . 52456 1
226 . 1 . 1 51 51 LYS C C 13 176.338 0.014 . 1 . . . . . 50 LYS C . 52456 1
227 . 1 . 1 51 51 LYS CA C 13 56.564 0.024 . 1 . . . . . 50 LYS CA . 52456 1
228 . 1 . 1 51 51 LYS CB C 13 33.335 0.018 . 1 . . . . . 50 LYS CB . 52456 1
229 . 1 . 1 51 51 LYS N N 15 122.823 0.024 . 1 . . . . . 50 LYS N . 52456 1
230 . 1 . 1 52 52 ALA H H 1 8.426 0.004 . 1 . . . . . 51 ALA H . 52456 1
231 . 1 . 1 52 52 ALA C C 13 177.687 0.015 . 1 . . . . . 51 ALA C . 52456 1
232 . 1 . 1 52 52 ALA CA C 13 52.550 0.017 . 1 . . . . . 51 ALA CA . 52456 1
233 . 1 . 1 52 52 ALA CB C 13 19.418 0.021 . 1 . . . . . 51 ALA CB . 52456 1
234 . 1 . 1 52 52 ALA N N 15 125.354 0.020 . 1 . . . . . 51 ALA N . 52456 1
235 . 1 . 1 53 53 LYS H H 1 8.458 0.003 . 1 . . . . . 52 LYS H . 52456 1
236 . 1 . 1 53 53 LYS C C 13 176.549 0.016 . 1 . . . . . 52 LYS C . 52456 1
237 . 1 . 1 53 53 LYS CA C 13 56.547 0.023 . 1 . . . . . 52 LYS CA . 52456 1
238 . 1 . 1 53 53 LYS CB C 13 33.491 0.033 . 1 . . . . . 52 LYS CB . 52456 1
239 . 1 . 1 53 53 LYS N N 15 121.714 0.025 . 1 . . . . . 52 LYS N . 52456 1
240 . 1 . 1 54 54 LYS H H 1 8.533 0.003 . 1 . . . . . 53 LYS H . 52456 1
241 . 1 . 1 54 54 LYS C C 13 176.116 0.013 . 1 . . . . . 53 LYS C . 52456 1
242 . 1 . 1 54 54 LYS CA C 13 56.411 0.100 . 1 . . . . . 53 LYS CA . 52456 1
243 . 1 . 1 54 54 LYS CB C 13 33.384 0.009 . 1 . . . . . 53 LYS CB . 52456 1
244 . 1 . 1 54 54 LYS N N 15 123.510 0.019 . 1 . . . . . 53 LYS N . 52456 1
245 . 1 . 1 55 55 LEU H H 1 8.437 0.004 . 1 . . . . . 54 LEU H . 52456 1
246 . 1 . 1 55 55 LEU C C 13 176.757 0.006 . 1 . . . . . 54 LEU C . 52456 1
247 . 1 . 1 55 55 LEU CA C 13 55.013 0.032 . 1 . . . . . 54 LEU CA . 52456 1
248 . 1 . 1 55 55 LEU CB C 13 42.924 0.028 . 1 . . . . . 54 LEU CB . 52456 1
249 . 1 . 1 55 55 LEU N N 15 124.358 0.015 . 1 . . . . . 54 LEU N . 52456 1
250 . 1 . 1 56 56 PHE H H 1 8.575 0.004 . 1 . . . . . 55 PHE H . 52456 1
251 . 1 . 1 56 56 PHE C C 13 175.440 0.014 . 1 . . . . . 55 PHE C . 52456 1
252 . 1 . 1 56 56 PHE CA C 13 57.558 0.063 . 1 . . . . . 55 PHE CA . 52456 1
253 . 1 . 1 56 56 PHE CB C 13 39.698 0.004 . 1 . . . . . 55 PHE CB . 52456 1
254 . 1 . 1 56 56 PHE N N 15 122.290 0.025 . 1 . . . . . 55 PHE N . 52456 1
255 . 1 . 1 57 57 LEU H H 1 8.425 0.003 . 1 . . . . . 56 LEU H . 52456 1
256 . 1 . 1 57 57 LEU C C 13 176.891 0.012 . 1 . . . . . 56 LEU C . 52456 1
257 . 1 . 1 57 57 LEU CA C 13 54.944 0.017 . 1 . . . . . 56 LEU CA . 52456 1
258 . 1 . 1 57 57 LEU CB C 13 42.721 0.046 . 1 . . . . . 56 LEU CB . 52456 1
259 . 1 . 1 57 57 LEU N N 15 124.793 0.024 . 1 . . . . . 56 LEU N . 52456 1
260 . 1 . 1 58 58 GLN H H 1 8.524 0.004 . 1 . . . . . 57 GLN H . 52456 1
261 . 1 . 1 58 58 GLN C C 13 175.733 0.000 . 1 . . . . . 57 GLN C . 52456 1
262 . 1 . 1 58 58 GLN CA C 13 56.158 0.000 . 1 . . . . . 57 GLN CA . 52456 1
263 . 1 . 1 58 58 GLN CB C 13 29.795 0.000 . 1 . . . . . 57 GLN CB . 52456 1
264 . 1 . 1 58 58 GLN N N 15 121.405 0.043 . 1 . . . . . 57 GLN N . 52456 1
265 . 1 . 1 59 59 HIS H H 1 8.515 0.007 . 1 . . . . . 58 HIS H . 52456 1
266 . 1 . 1 59 59 HIS C C 13 175.454 0.006 . 1 . . . . . 58 HIS C . 52456 1
267 . 1 . 1 59 59 HIS CA C 13 56.649 0.029 . 1 . . . . . 58 HIS CA . 52456 1
268 . 1 . 1 59 59 HIS CB C 13 31.331 0.009 . 1 . . . . . 58 HIS CB . 52456 1
269 . 1 . 1 59 59 HIS N N 15 121.420 0.041 . 1 . . . . . 58 HIS N . 52456 1
270 . 1 . 1 60 60 ILE H H 1 8.087 0.002 . 1 . . . . . 59 ILE H . 52456 1
271 . 1 . 1 60 60 ILE C C 13 175.766 0.012 . 1 . . . . . 59 ILE C . 52456 1
272 . 1 . 1 60 60 ILE CA C 13 61.140 0.044 . 1 . . . . . 59 ILE CA . 52456 1
273 . 1 . 1 60 60 ILE CB C 13 38.927 0.013 . 1 . . . . . 59 ILE CB . 52456 1
274 . 1 . 1 60 60 ILE N N 15 122.293 0.023 . 1 . . . . . 59 ILE N . 52456 1
275 . 1 . 1 61 61 HIS H H 1 8.491 0.002 . 1 . . . . . 60 HIS H . 52456 1
276 . 1 . 1 61 61 HIS C C 13 175.411 0.007 . 1 . . . . . 60 HIS C . 52456 1
277 . 1 . 1 61 61 HIS CA C 13 56.519 0.003 . 1 . . . . . 60 HIS CA . 52456 1
278 . 1 . 1 61 61 HIS CB C 13 31.468 0.039 . 1 . . . . . 60 HIS CB . 52456 1
279 . 1 . 1 61 61 HIS N N 15 124.385 0.021 . 1 . . . . . 60 HIS N . 52456 1
280 . 1 . 1 62 62 ARG H H 1 8.419 0.003 . 1 . . . . . 61 ARG H . 52456 1
281 . 1 . 1 62 62 ARG C C 13 176.014 0.015 . 1 . . . . . 61 ARG C . 52456 1
282 . 1 . 1 62 62 ARG CA C 13 56.117 0.029 . 1 . . . . . 61 ARG CA . 52456 1
283 . 1 . 1 62 62 ARG CB C 13 31.269 0.026 . 1 . . . . . 61 ARG CB . 52456 1
284 . 1 . 1 62 62 ARG N N 15 123.004 0.035 . 1 . . . . . 61 ARG N . 52456 1
285 . 1 . 1 63 63 LEU H H 1 8.528 0.004 . 1 . . . . . 62 LEU H . 52456 1
286 . 1 . 1 63 63 LEU C C 13 177.253 0.017 . 1 . . . . . 62 LEU C . 52456 1
287 . 1 . 1 63 63 LEU CA C 13 55.167 0.046 . 1 . . . . . 62 LEU CA . 52456 1
288 . 1 . 1 63 63 LEU CB C 13 42.585 0.007 . 1 . . . . . 62 LEU CB . 52456 1
289 . 1 . 1 63 63 LEU N N 15 124.173 0.041 . 1 . . . . . 62 LEU N . 52456 1
290 . 1 . 1 64 64 LYS H H 1 8.551 0.003 . 1 . . . . . 63 LYS H . 52456 1
291 . 1 . 1 64 64 LYS C C 13 176.152 0.020 . 1 . . . . . 63 LYS C . 52456 1
292 . 1 . 1 64 64 LYS CA C 13 56.603 0.045 . 1 . . . . . 63 LYS CA . 52456 1
293 . 1 . 1 64 64 LYS CB C 13 33.532 0.021 . 1 . . . . . 63 LYS CB . 52456 1
294 . 1 . 1 64 64 LYS N N 15 122.474 0.025 . 1 . . . . . 63 LYS N . 52456 1
295 . 1 . 1 65 65 HIS H H 1 8.442 0.006 . 1 . . . . . 64 HIS H . 52456 1
296 . 1 . 1 65 65 HIS C C 13 174.559 0.001 . 1 . . . . . 64 HIS C . 52456 1
297 . 1 . 1 65 65 HIS CA C 13 56.456 0.019 . 1 . . . . . 64 HIS CA . 52456 1
298 . 1 . 1 65 65 HIS CB C 13 31.057 0.006 . 1 . . . . . 64 HIS CB . 52456 1
299 . 1 . 1 65 65 HIS N N 15 121.577 0.020 . 1 . . . . . 64 HIS N . 52456 1
300 . 1 . 1 66 66 GLU H H 1 8.112 0.002 . 1 . . . . . 65 GLU H . 52456 1
301 . 1 . 1 66 66 GLU C C 13 175.010 0.000 . 1 . . . . . 65 GLU C . 52456 1
302 . 1 . 1 66 66 GLU CA C 13 58.227 0.000 . 1 . . . . . 65 GLU CA . 52456 1
303 . 1 . 1 66 66 GLU CB C 13 31.207 0.000 . 1 . . . . . 65 GLU CB . 52456 1
304 . 1 . 1 66 66 GLU N N 15 127.366 0.036 . 1 . . . . . 65 GLU N . 52456 1
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