Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 18611
_Assigned_chem_shift_list.ID 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 $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err 0.005
_Assigned_chem_shift_list.Chem_shift_13C_err 0.040
_Assigned_chem_shift_list.Chem_shift_15N_err 0.040
_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 'Pressure and methanol induced A_state of ubiquitin'
_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' . . . 18611 1
2 '3D CBCA(CO)NH' . . . 18611 1
3 '3D HNCA' . . . 18611 1
4 '3D HNCO' . . . 18611 1
5 '3D CBCANH' . . . 18611 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_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.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 MET C C 13 182.263 0.3 . 1 . . . . 1 MET C . 18611 1
2 . 1 1 1 1 MET CA C 13 54.304 0.3 . 1 . . . . 1 MET CA . 18611 1
3 . 1 1 1 1 MET CB C 13 32.436 0.3 . 1 . . . . 1 MET CB . 18611 1
4 . 1 1 2 2 GLN H H 1 8.479 0.020 . 1 . . . . 2 GLN H . 18611 1
5 . 1 1 2 2 GLN C C 13 174.331 0.3 . 1 . . . . 2 GLN C . 18611 1
6 . 1 1 2 2 GLN CA C 13 55.005 0.3 . 1 . . . . 2 GLN CA . 18611 1
7 . 1 1 2 2 GLN CB C 13 29.796 0.3 . 1 . . . . 2 GLN CB . 18611 1
8 . 1 1 2 2 GLN N N 15 123.524 0.3 . 1 . . . . 2 GLN N . 18611 1
9 . 1 1 3 3 ILE H H 1 8.194 0.020 . 1 . . . . 3 ILE H . 18611 1
10 . 1 1 3 3 ILE C C 13 174.299 0.3 . 1 . . . . 3 ILE C . 18611 1
11 . 1 1 3 3 ILE CA C 13 59.513 0.3 . 1 . . . . 3 ILE CA . 18611 1
12 . 1 1 3 3 ILE CB C 13 39.698 0.3 . 1 . . . . 3 ILE CB . 18611 1
13 . 1 1 3 3 ILE N N 15 120.312 0.3 . 1 . . . . 3 ILE N . 18611 1
14 . 1 1 4 4 PHE H H 1 8.121 0.020 . 1 . . . . 4 PHE H . 18611 1
15 . 1 1 4 4 PHE C C 13 175.083 0.3 . 1 . . . . 4 PHE C . 18611 1
16 . 1 1 4 4 PHE CA C 13 56.338 0.3 . 1 . . . . 4 PHE CA . 18611 1
17 . 1 1 4 4 PHE CB C 13 39.698 0.3 . 1 . . . . 4 PHE CB . 18611 1
18 . 1 1 4 4 PHE N N 15 122.507 0.3 . 1 . . . . 4 PHE N . 18611 1
19 . 1 1 5 5 VAL H H 1 8.308 0.020 . 1 . . . . 5 VAL H . 18611 1
20 . 1 1 5 5 VAL C C 13 174.237 0.3 . 1 . . . . 5 VAL C . 18611 1
21 . 1 1 5 5 VAL CA C 13 60.493 0.3 . 1 . . . . 5 VAL CA . 18611 1
22 . 1 1 5 5 VAL CB C 13 33.757 0.3 . 1 . . . . 5 VAL CB . 18611 1
23 . 1 1 5 5 VAL N N 15 120.365 0.3 . 1 . . . . 5 VAL N . 18611 1
24 . 1 1 6 6 LYS H H 1 8.137 0.020 . 1 . . . . 6 LYS H . 18611 1
25 . 1 1 6 6 LYS C C 13 176.385 0.3 . 1 . . . . 6 LYS C . 18611 1
26 . 1 1 6 6 LYS CA C 13 55.084 0.3 . 1 . . . . 6 LYS CA . 18611 1
27 . 1 1 6 6 LYS CB C 13 33.014 0.3 . 1 . . . . 6 LYS CB . 18611 1
28 . 1 1 6 6 LYS N N 15 124.059 0.3 . 1 . . . . 6 LYS N . 18611 1
29 . 1 1 7 7 THR H H 1 8.170 0.020 . 1 . . . . 7 THR H . 18611 1
30 . 1 1 7 7 THR C C 13 175.318 0.3 . 1 . . . . 7 THR C . 18611 1
31 . 1 1 7 7 THR CA C 13 60.454 0.3 . 1 . . . . 7 THR CA . 18611 1
32 . 1 1 7 7 THR CB C 13 70.149 0.3 . 1 . . . . 7 THR CB . 18611 1
33 . 1 1 7 7 THR N N 15 114.637 0.3 . 1 . . . . 7 THR N . 18611 1
34 . 1 1 8 8 LEU H H 1 8.381 0.020 . 1 . . . . 8 LEU H . 18611 1
35 . 1 1 8 8 LEU C C 13 177.341 0.3 . 1 . . . . 8 LEU C . 18611 1
36 . 1 1 8 8 LEU CA C 13 55.985 0.3 . 1 . . . . 8 LEU CA . 18611 1
37 . 1 1 8 8 LEU CB C 13 41.514 0.3 . 1 . . . . 8 LEU CB . 18611 1
38 . 1 1 8 8 LEU N N 15 122.185 0.3 . 1 . . . . 8 LEU N . 18611 1
39 . 1 1 9 9 THR H H 1 7.535 0.020 . 1 . . . . 9 THR H . 18611 1
40 . 1 1 9 9 THR C C 13 174.738 0.3 . 1 . . . . 9 THR C . 18611 1
41 . 1 1 9 9 THR CA C 13 61.081 0.3 . 1 . . . . 9 THR CA . 18611 1
42 . 1 1 9 9 THR CB C 13 68.828 0.3 . 1 . . . . 9 THR CB . 18611 1
43 . 1 1 9 9 THR N N 15 108.802 0.3 . 1 . . . . 9 THR N . 18611 1
44 . 1 1 10 10 GLY H H 1 7.852 0.020 . 1 . . . . 10 GLY H . 18611 1
45 . 1 1 10 10 GLY C C 13 173.437 0.3 . 1 . . . . 10 GLY C . 18611 1
46 . 1 1 10 10 GLY CA C 13 45.128 0.3 . 1 . . . . 10 GLY CA . 18611 1
47 . 1 1 10 10 GLY N N 15 109.873 0.3 . 1 . . . . 10 GLY N . 18611 1
48 . 1 1 11 11 LYS H H 1 7.470 0.020 . 1 . . . . 11 LYS H . 18611 1
49 . 1 1 11 11 LYS C C 13 175.820 0.3 . 1 . . . . 11 LYS C . 18611 1
50 . 1 1 11 11 LYS CA C 13 55.240 0.3 . 1 . . . . 11 LYS CA . 18611 1
51 . 1 1 11 11 LYS CB C 13 32.766 0.3 . 1 . . . . 11 LYS CB . 18611 1
52 . 1 1 11 11 LYS N N 15 120.472 0.3 . 1 . . . . 11 LYS N . 18611 1
53 . 1 1 12 12 THR H H 1 8.162 0.020 . 1 . . . . 12 THR H . 18611 1
54 . 1 1 12 12 THR C C 13 173.766 0.3 . 1 . . . . 12 THR C . 18611 1
55 . 1 1 12 12 THR CA C 13 61.786 0.3 . 1 . . . . 12 THR CA . 18611 1
56 . 1 1 12 12 THR CB C 13 69.158 0.3 . 1 . . . . 12 THR CB . 18611 1
57 . 1 1 12 12 THR N N 15 117.849 0.3 . 1 . . . . 12 THR N . 18611 1
58 . 1 1 13 13 ILE H H 1 8.446 0.020 . 1 . . . . 13 ILE H . 18611 1
59 . 1 1 13 13 ILE C C 13 174.738 0.3 . 1 . . . . 13 ILE C . 18611 1
60 . 1 1 13 13 ILE CA C 13 59.748 0.3 . 1 . . . . 13 ILE CA . 18611 1
61 . 1 1 13 13 ILE CB C 13 39.698 0.3 . 1 . . . . 13 ILE CB . 18611 1
62 . 1 1 13 13 ILE N N 15 123.095 0.3 . 1 . . . . 13 ILE N . 18611 1
63 . 1 1 14 14 THR H H 1 7.926 0.020 . 1 . . . . 14 THR H . 18611 1
64 . 1 1 14 14 THR C C 13 173.359 0.3 . 1 . . . . 14 THR C . 18611 1
65 . 1 1 14 14 THR CA C 13 60.610 0.3 . 1 . . . . 14 THR CA . 18611 1
66 . 1 1 14 14 THR CB C 13 69.241 0.3 . 1 . . . . 14 THR CB . 18611 1
67 . 1 1 14 14 THR N N 15 116.993 0.3 . 1 . . . . 14 THR N . 18611 1
68 . 1 1 15 15 LEU H H 1 8.235 0.020 . 1 . . . . 15 LEU H . 18611 1
69 . 1 1 15 15 LEU C C 13 175.428 0.3 . 1 . . . . 15 LEU C . 18611 1
70 . 1 1 15 15 LEU CA C 13 53.790 0.3 . 1 . . . . 15 LEU CA . 18611 1
71 . 1 1 15 15 LEU CB C 13 43.412 0.3 . 1 . . . . 15 LEU CB . 18611 1
72 . 1 1 15 15 LEU N N 15 124.487 0.3 . 1 . . . . 15 LEU N . 18611 1
73 . 1 1 16 16 GLU H H 1 8.096 0.020 . 1 . . . . 16 GLU H . 18611 1
74 . 1 1 16 16 GLU C C 13 175.162 0.3 . 1 . . . . 16 GLU C . 18611 1
75 . 1 1 16 16 GLU CA C 13 54.888 0.3 . 1 . . . . 16 GLU CA . 18611 1
76 . 1 1 16 16 GLU CB C 13 29.218 0.3 . 1 . . . . 16 GLU CB . 18611 1
77 . 1 1 16 16 GLU N N 15 121.757 0.3 . 1 . . . . 16 GLU N . 18611 1
78 . 1 1 17 17 VAL H H 1 8.080 0.020 . 1 . . . . 17 VAL H . 18611 1
79 . 1 1 17 17 VAL C C 13 174.911 0.3 . 1 . . . . 17 VAL C . 18611 1
80 . 1 1 17 17 VAL CA C 13 60.689 0.3 . 1 . . . . 17 VAL CA . 18611 1
81 . 1 1 17 17 VAL CB C 13 33.261 0.3 . 1 . . . . 17 VAL CB . 18611 1
82 . 1 1 17 17 VAL N N 15 120.954 0.3 . 1 . . . . 17 VAL N . 18611 1
83 . 1 1 18 18 GLU H H 1 8.275 0.020 . 1 . . . . 18 GLU H . 18611 1
84 . 1 1 18 18 GLU CA C 13 52.967 0.3 . 1 . . . . 18 GLU CA . 18611 1
85 . 1 1 18 18 GLU CB C 13 28.393 0.3 . 1 . . . . 18 GLU CB . 18611 1
86 . 1 1 18 18 GLU N N 15 124.273 0.3 . 1 . . . . 18 GLU N . 18611 1
87 . 1 1 19 19 PRO C C 13 176.463 0.3 . 1 . . . . 19 PRO C . 18611 1
88 . 1 1 19 19 PRO CA C 13 63.080 0.3 . 1 . . . . 19 PRO CA . 18611 1
89 . 1 1 19 19 PRO CB C 13 31.528 0.3 . 1 . . . . 19 PRO CB . 18611 1
90 . 1 1 20 20 SER H H 1 8.023 0.020 . 1 . . . . 20 SER H . 18611 1
91 . 1 1 20 20 SER C C 13 174.127 0.3 . 1 . . . . 20 SER C . 18611 1
92 . 1 1 20 20 SER CA C 13 58.102 0.3 . 1 . . . . 20 SER CA . 18611 1
93 . 1 1 20 20 SER CB C 13 63.464 0.3 . 1 . . . . 20 SER CB . 18611 1
94 . 1 1 20 20 SER N N 15 114.102 0.3 . 1 . . . . 20 SER N . 18611 1
95 . 1 1 21 21 ASP H H 1 8.072 0.020 . 1 . . . . 21 ASP H . 18611 1
96 . 1 1 21 21 ASP C C 13 175.710 0.3 . 1 . . . . 21 ASP C . 18611 1
97 . 1 1 21 21 ASP CA C 13 53.594 0.3 . 1 . . . . 21 ASP CA . 18611 1
98 . 1 1 21 21 ASP CB C 13 39.698 0.3 . 1 . . . . 21 ASP CB . 18611 1
99 . 1 1 21 21 ASP N N 15 121.275 0.3 . 1 . . . . 21 ASP N . 18611 1
100 . 1 1 22 22 THR H H 1 7.844 0.020 . 1 . . . . 22 THR H . 18611 1
101 . 1 1 22 22 THR C C 13 174.817 0.3 . 1 . . . . 22 THR C . 18611 1
102 . 1 1 22 22 THR CA C 13 61.786 0.3 . 1 . . . . 22 THR CA . 18611 1
103 . 1 1 22 22 THR CB C 13 69.323 0.3 . 1 . . . . 22 THR CB . 18611 1
104 . 1 1 22 22 THR N N 15 113.352 0.3 . 1 . . . . 22 THR N . 18611 1
105 . 1 1 23 23 ILE H H 1 7.935 0.020 . 1 . . . . 23 ILE H . 18611 1
106 . 1 1 23 23 ILE C C 13 176.416 0.3 . 1 . . . . 23 ILE C . 18611 1
107 . 1 1 23 23 ILE CA C 13 61.904 0.3 . 1 . . . . 23 ILE CA . 18611 1
108 . 1 1 23 23 ILE CB C 13 37.388 0.3 . 1 . . . . 23 ILE CB . 18611 1
109 . 1 1 23 23 ILE N N 15 121.274 0.3 . 1 . . . . 23 ILE N . 18611 1
110 . 1 1 24 24 GLU H H 1 8.048 0.020 . 1 . . . . 24 GLU H . 18611 1
111 . 1 1 24 24 GLU C C 13 176.541 0.3 . 1 . . . . 24 GLU C . 18611 1
112 . 1 1 24 24 GLU CA C 13 57.004 0.3 . 1 . . . . 24 GLU CA . 18611 1
113 . 1 1 24 24 GLU CB C 13 28.393 0.3 . 1 . . . . 24 GLU CB . 18611 1
114 . 1 1 24 24 GLU N N 15 121.168 0.3 . 1 . . . . 24 GLU N . 18611 1
115 . 1 1 25 25 ASN H H 1 7.909 0.020 . 1 . . . . 25 ASN H . 18611 1
116 . 1 1 25 25 ASN C C 13 175.930 0.3 . 1 . . . . 25 ASN C . 18611 1
117 . 1 1 25 25 ASN CA C 13 53.908 0.3 . 1 . . . . 25 ASN CA . 18611 1
118 . 1 1 25 25 ASN CB C 13 38.378 0.3 . 1 . . . . 25 ASN CB . 18611 1
119 . 1 1 25 25 ASN N N 15 118.973 0.3 . 1 . . . . 25 ASN N . 18611 1
120 . 1 1 26 26 VAL H H 1 7.795 0.020 . 1 . . . . 26 VAL H . 18611 1
121 . 1 1 26 26 VAL C C 13 176.620 0.3 . 1 . . . . 26 VAL C . 18611 1
122 . 1 1 26 26 VAL CA C 13 64.021 0.3 . 1 . . . . 26 VAL CA . 18611 1
123 . 1 1 26 26 VAL CB C 13 31.446 0.3 . 1 . . . . 26 VAL CB . 18611 1
124 . 1 1 26 26 VAL N N 15 119.830 0.3 . 1 . . . . 26 VAL N . 18611 1
125 . 1 1 27 27 LYS H H 1 7.927 0.020 . 1 . . . . 27 LYS H . 18611 1
126 . 1 1 27 27 LYS C C 13 176.965 0.3 . 1 . . . . 27 LYS C . 18611 1
127 . 1 1 27 27 LYS CA C 13 57.475 0.3 . 1 . . . . 27 LYS CA . 18611 1
128 . 1 1 27 27 LYS CB C 13 31.941 0.3 . 1 . . . . 27 LYS CB . 18611 1
129 . 1 1 27 27 LYS N N 15 121.055 0.3 . 1 . . . . 27 LYS N . 18611 1
130 . 1 1 28 28 ALA H H 1 7.714 0.020 . 1 . . . . 28 ALA H . 18611 1
131 . 1 1 28 28 ALA C C 13 177.921 0.3 . 1 . . . . 28 ALA C . 18611 1
132 . 1 1 28 28 ALA CA C 13 52.967 0.3 . 1 . . . . 28 ALA CA . 18611 1
133 . 1 1 28 28 ALA CB C 13 18.738 0.3 . 1 . . . . 28 ALA CB . 18611 1
134 . 1 1 28 28 ALA N N 15 122.011 0.3 . 1 . . . . 28 ALA N . 18611 1
135 . 1 1 29 29 LYS H H 1 7.714 0.020 . 1 . . . . 29 LYS H . 18611 1
136 . 1 1 29 29 LYS C C 13 177.231 0.3 . 1 . . . . 29 LYS C . 18611 1
137 . 1 1 29 29 LYS CA C 13 56.808 0.3 . 1 . . . . 29 LYS CA . 18611 1
138 . 1 1 29 29 LYS CB C 13 32.271 0.3 . 1 . . . . 29 LYS CB . 18611 1
139 . 1 1 29 29 LYS N N 15 118.706 0.3 . 1 . . . . 29 LYS N . 18611 1
140 . 1 1 30 30 ILE H H 1 7.779 0.020 . 1 . . . . 30 ILE H . 18611 1
141 . 1 1 30 30 ILE C C 13 176.447 0.3 . 1 . . . . 30 ILE C . 18611 1
142 . 1 1 30 30 ILE CA C 13 61.982 0.3 . 1 . . . . 30 ILE CA . 18611 1
143 . 1 1 30 30 ILE CB C 13 37.800 0.3 . 1 . . . . 30 ILE CB . 18611 1
144 . 1 1 30 30 ILE N N 15 120.098 0.3 . 1 . . . . 30 ILE N . 18611 1
145 . 1 1 31 31 GLN H H 1 7.991 0.020 . 1 . . . . 31 GLN H . 18611 1
146 . 1 1 31 31 GLN C C 13 175.946 0.3 . 1 . . . . 31 GLN C . 18611 1
147 . 1 1 31 31 GLN CA C 13 56.338 0.3 . 1 . . . . 31 GLN CA . 18611 1
148 . 1 1 31 31 GLN CB C 13 28.475 0.3 . 1 . . . . 31 GLN CB . 18611 1
149 . 1 1 31 31 GLN N N 15 121.489 0.3 . 1 . . . . 31 GLN N . 18611 1
150 . 1 1 32 32 ASP H H 1 7.991 0.020 . 1 . . . . 32 ASP H . 18611 1
151 . 1 1 32 32 ASP C C 13 175.852 0.3 . 1 . . . . 32 ASP C . 18611 1
152 . 1 1 32 32 ASP CA C 13 54.025 0.3 . 1 . . . . 32 ASP CA . 18611 1
153 . 1 1 32 32 ASP CB C 13 39.533 0.3 . 1 . . . . 32 ASP CB . 18611 1
154 . 1 1 32 32 ASP N N 15 119.830 0.3 . 1 . . . . 32 ASP N . 18611 1
155 . 1 1 33 33 LYS H H 1 7.869 0.020 . 1 . . . . 33 LYS H . 18611 1
156 . 1 1 33 33 LYS C C 13 176.290 0.3 . 1 . . . . 33 LYS C . 18611 1
157 . 1 1 33 33 LYS CA C 13 56.220 0.3 . 1 . . . . 33 LYS CA . 18611 1
158 . 1 1 33 33 LYS CB C 13 32.106 0.3 . 1 . . . . 33 LYS CB . 18611 1
159 . 1 1 33 33 LYS N N 15 120.151 0.3 . 1 . . . . 33 LYS N . 18611 1
160 . 1 1 34 34 GLU H H 1 7.958 0.020 . 1 . . . . 34 GLU H . 18611 1
161 . 1 1 34 34 GLU C C 13 176.024 0.3 . 1 . . . . 34 GLU C . 18611 1
162 . 1 1 34 34 GLU CA C 13 55.907 0.3 . 1 . . . . 34 GLU CA . 18611 1
163 . 1 1 34 34 GLU CB C 13 28.805 0.3 . 1 . . . . 34 GLU CB . 18611 1
164 . 1 1 34 34 GLU N N 15 118.973 0.3 . 1 . . . . 34 GLU N . 18611 1
165 . 1 1 35 35 GLY H H 1 7.934 0.020 . 1 . . . . 35 GLY H . 18611 1
166 . 1 1 35 35 GLY C C 13 173.014 0.3 . 1 . . . . 35 GLY C . 18611 1
167 . 1 1 35 35 GLY CA C 13 44.892 0.3 . 1 . . . . 35 GLY CA . 18611 1
168 . 1 1 35 35 GLY N N 15 108.481 0.3 . 1 . . . . 35 GLY N . 18611 1
169 . 1 1 36 36 ILE H H 1 7.714 0.020 . 1 . . . . 36 ILE H . 18611 1
170 . 1 1 36 36 ILE CA C 13 57.906 0.3 . 1 . . . . 36 ILE CA . 18611 1
171 . 1 1 36 36 ILE CB C 13 37.965 0.3 . 1 . . . . 36 ILE CB . 18611 1
172 . 1 1 36 36 ILE N N 15 120.793 0.3 . 1 . . . . 36 ILE N . 18611 1
173 . 1 1 38 38 PRO C C 13 176.980 0.3 . 1 . . . . 38 PRO C . 18611 1
174 . 1 1 38 38 PRO CA C 13 63.903 0.3 . 1 . . . . 38 PRO CA . 18611 1
175 . 1 1 38 38 PRO CB C 13 31.611 0.3 . 1 . . . . 38 PRO CB . 18611 1
176 . 1 1 39 39 ASP H H 1 8.300 0.020 . 1 . . . . 39 ASP H . 18611 1
177 . 1 1 39 39 ASP C C 13 176.463 0.3 . 1 . . . . 39 ASP C . 18611 1
178 . 1 1 39 39 ASP CA C 13 54.456 0.3 . 1 . . . . 39 ASP CA . 18611 1
179 . 1 1 39 39 ASP CB C 13 39.286 0.3 . 1 . . . . 39 ASP CB . 18611 1
180 . 1 1 39 39 ASP N N 15 117.100 0.3 . 1 . . . . 39 ASP N . 18611 1
181 . 1 1 40 40 GLN H H 1 7.784 0.020 . 1 . . . . 40 GLN H . 18611 1
182 . 1 1 40 40 GLN C C 13 176.588 0.3 . 1 . . . . 40 GLN C . 18611 1
183 . 1 1 40 40 GLN CA C 13 56.612 0.3 . 1 . . . . 40 GLN CA . 18611 1
184 . 1 1 40 40 GLN CB C 13 28.558 0.3 . 1 . . . . 40 GLN CB . 18611 1
185 . 1 1 40 40 GLN N N 15 119.736 0.3 . 1 . . . . 40 GLN N . 18611 1
186 . 1 1 41 41 GLN H H 1 7.907 0.020 . 1 . . . . 41 GLN H . 18611 1
187 . 1 1 41 41 GLN C C 13 176.588 0.3 . 1 . . . . 41 GLN C . 18611 1
188 . 1 1 41 41 GLN CA C 13 57.279 0.3 . 1 . . . . 41 GLN CA . 18611 1
189 . 1 1 41 41 GLN CB C 13 28.393 0.3 . 1 . . . . 41 GLN CB . 18611 1
190 . 1 1 41 41 GLN N N 15 119.316 0.3 . 1 . . . . 41 GLN N . 18611 1
191 . 1 1 42 42 ARG H H 1 7.803 0.020 . 1 . . . . 42 ARG H . 18611 1
192 . 1 1 42 42 ARG C C 13 176.698 0.3 . 1 . . . . 42 ARG C . 18611 1
193 . 1 1 42 42 ARG CA C 13 57.046 0.3 . 1 . . . . 42 ARG CA . 18611 1
194 . 1 1 42 42 ARG CB C 13 29.796 0.3 . 1 . . . . 42 ARG CB . 18611 1
195 . 1 1 42 42 ARG N N 15 118.866 0.3 . 1 . . . . 42 ARG N . 18611 1
196 . 1 1 43 43 LEU H H 1 7.592 0.020 . 1 . . . . 43 LEU H . 18611 1
197 . 1 1 43 43 LEU C C 13 177.670 0.3 . 1 . . . . 43 LEU C . 18611 1
198 . 1 1 43 43 LEU CA C 13 55.789 0.3 . 1 . . . . 43 LEU CA . 18611 1
199 . 1 1 43 43 LEU CB C 13 41.514 0.3 . 1 . . . . 43 LEU CB . 18611 1
200 . 1 1 43 43 LEU N N 15 120.686 0.3 . 1 . . . . 43 LEU N . 18611 1
201 . 1 1 44 44 ILE H H 1 7.690 0.020 . 1 . . . . 44 ILE H . 18611 1
202 . 1 1 44 44 ILE C C 13 176.526 0.3 . 1 . . . . 44 ILE C . 18611 1
203 . 1 1 44 44 ILE CA C 13 61.982 0.3 . 1 . . . . 44 ILE CA . 18611 1
204 . 1 1 44 44 ILE CB C 13 37.800 0.3 . 1 . . . . 44 ILE CB . 18611 1
205 . 1 1 44 44 ILE N N 15 119.937 0.3 . 1 . . . . 44 ILE N . 18611 1
206 . 1 1 45 45 PHE H H 1 7.905 0.020 . 1 . . . . 45 PHE H . 18611 1
207 . 1 1 45 45 PHE C C 13 175.679 0.3 . 1 . . . . 45 PHE C . 18611 1
208 . 1 1 45 45 PHE CA C 13 58.063 0.3 . 1 . . . . 45 PHE CA . 18611 1
209 . 1 1 45 45 PHE CB C 13 38.790 0.3 . 1 . . . . 45 PHE CB . 18611 1
210 . 1 1 45 45 PHE N N 15 121.412 0.3 . 1 . . . . 45 PHE N . 18611 1
211 . 1 1 46 46 ALA H H 1 7.893 0.020 . 1 . . . . 46 ALA H . 18611 1
212 . 1 1 46 46 ALA C C 13 177.952 0.3 . 1 . . . . 46 ALA C . 18611 1
213 . 1 1 46 46 ALA CA C 13 52.732 0.3 . 1 . . . . 46 ALA CA . 18611 1
214 . 1 1 46 46 ALA CB C 13 18.820 0.3 . 1 . . . . 46 ALA CB . 18611 1
215 . 1 1 46 46 ALA N N 15 123.524 0.3 . 1 . . . . 46 ALA N . 18611 1
216 . 1 1 47 47 GLY H H 1 7.738 0.020 . 1 . . . . 47 GLY H . 18611 1
217 . 1 1 47 47 GLY C C 13 174.127 0.3 . 1 . . . . 47 GLY C . 18611 1
218 . 1 1 47 47 GLY CA C 13 45.559 0.3 . 1 . . . . 47 GLY CA . 18611 1
219 . 1 1 47 47 GLY N N 15 106.554 0.3 . 1 . . . . 47 GLY N . 18611 1
220 . 1 1 48 48 LYS H H 1 7.779 0.020 . 1 . . . . 48 LYS H . 18611 1
221 . 1 1 48 48 LYS C C 13 176.353 0.3 . 1 . . . . 48 LYS C . 18611 1
222 . 1 1 48 48 LYS CA C 13 56.220 0.3 . 1 . . . . 48 LYS CA . 18611 1
223 . 1 1 48 48 LYS CB C 13 32.354 0.3 . 1 . . . . 48 LYS CB . 18611 1
224 . 1 1 48 48 LYS N N 15 120.526 0.3 . 1 . . . . 48 LYS N . 18611 1
225 . 1 1 49 49 GLN H H 1 8.030 0.020 . 1 . . . . 49 GLN H . 18611 1
226 . 1 1 49 49 GLN C C 13 176.118 0.3 . 1 . . . . 49 GLN C . 18611 1
227 . 1 1 49 49 GLN CA C 13 56.142 0.3 . 1 . . . . 49 GLN CA . 18611 1
228 . 1 1 49 49 GLN CB C 13 28.805 0.3 . 1 . . . . 49 GLN CB . 18611 1
229 . 1 1 49 49 GLN N N 15 119.942 0.3 . 1 . . . . 49 GLN N . 18611 1
230 . 1 1 50 50 LEU H H 1 7.901 0.020 . 1 . . . . 50 LEU H . 18611 1
231 . 1 1 50 50 LEU C C 13 177.309 0.3 . 1 . . . . 50 LEU C . 18611 1
232 . 1 1 50 50 LEU CA C 13 55.319 0.3 . 1 . . . . 50 LEU CA . 18611 1
233 . 1 1 50 50 LEU CB C 13 41.596 0.3 . 1 . . . . 50 LEU CB . 18611 1
234 . 1 1 50 50 LEU N N 15 121.811 0.3 . 1 . . . . 50 LEU N . 18611 1
235 . 1 1 51 51 GLU H H 1 7.998 0.020 . 1 . . . . 51 GLU H . 18611 1
236 . 1 1 51 51 GLU C C 13 175.852 0.3 . 1 . . . . 51 GLU C . 18611 1
237 . 1 1 51 51 GLU CA C 13 55.985 0.3 . 1 . . . . 51 GLU CA . 18611 1
238 . 1 1 51 51 GLU CB C 13 28.805 0.3 . 1 . . . . 51 GLU CB . 18611 1
239 . 1 1 51 51 GLU N N 15 119.860 0.3 . 1 . . . . 51 GLU N . 18611 1
240 . 1 1 52 52 ASP H H 1 8.088 0.020 . 1 . . . . 52 ASP H . 18611 1
241 . 1 1 52 52 ASP C C 13 176.369 0.3 . 1 . . . . 52 ASP C . 18611 1
242 . 1 1 52 52 ASP CA C 13 53.790 0.3 . 1 . . . . 52 ASP CA . 18611 1
243 . 1 1 52 52 ASP CB C 13 39.781 0.3 . 1 . . . . 52 ASP CB . 18611 1
244 . 1 1 52 52 ASP N N 15 119.937 0.3 . 1 . . . . 52 ASP N . 18611 1
245 . 1 1 53 53 GLY H H 1 8.105 0.020 . 1 . . . . 53 GLY H . 18611 1
246 . 1 1 53 53 GLY C C 13 174.472 0.3 . 1 . . . . 53 GLY C . 18611 1
247 . 1 1 53 53 GLY CA C 13 45.794 0.3 . 1 . . . . 53 GLY CA . 18611 1
248 . 1 1 53 53 GLY N N 15 108.588 0.3 . 1 . . . . 53 GLY N . 18611 1
249 . 1 1 54 54 ARG H H 1 7.851 0.020 . 1 . . . . 54 ARG H . 18611 1
250 . 1 1 54 54 ARG C C 13 176.463 0.3 . 1 . . . . 54 ARG C . 18611 1
251 . 1 1 54 54 ARG CA C 13 56.377 0.3 . 1 . . . . 54 ARG CA . 18611 1
252 . 1 1 54 54 ARG CB C 13 30.208 0.3 . 1 . . . . 54 ARG CB . 18611 1
253 . 1 1 54 54 ARG N N 15 120.375 0.3 . 1 . . . . 54 ARG N . 18611 1
254 . 1 1 55 55 THR H H 1 7.950 0.020 . 1 . . . . 55 THR H . 18611 1
255 . 1 1 55 55 THR C C 13 174.817 0.3 . 1 . . . . 55 THR C . 18611 1
256 . 1 1 55 55 THR CA C 13 62.374 0.3 . 1 . . . . 55 THR CA . 18611 1
257 . 1 1 55 55 THR CB C 13 69.241 0.3 . 1 . . . . 55 THR CB . 18611 1
258 . 1 1 55 55 THR N N 15 114.262 0.3 . 1 . . . . 55 THR N . 18611 1
259 . 1 1 56 56 LEU H H 1 7.991 0.020 . 1 . . . . 56 LEU H . 18611 1
260 . 1 1 56 56 LEU C C 13 177.404 0.3 . 1 . . . . 56 LEU C . 18611 1
261 . 1 1 56 56 LEU CA C 13 55.750 0.3 . 1 . . . . 56 LEU CA . 18611 1
262 . 1 1 56 56 LEU CB C 13 41.514 0.3 . 1 . . . . 56 LEU CB . 18611 1
263 . 1 1 56 56 LEU N N 15 122.881 0.3 . 1 . . . . 56 LEU N . 18611 1
264 . 1 1 57 57 SER H H 1 7.934 0.020 . 1 . . . . 57 SER H . 18611 1
265 . 1 1 57 57 SER C C 13 174.660 0.3 . 1 . . . . 57 SER C . 18611 1
266 . 1 1 57 57 SER CA C 13 58.964 0.3 . 1 . . . . 57 SER CA . 18611 1
267 . 1 1 57 57 SER CB C 13 62.969 0.3 . 1 . . . . 57 SER CB . 18611 1
268 . 1 1 57 57 SER N N 15 114.958 0.3 . 1 . . . . 57 SER N . 18611 1
269 . 1 1 58 58 ASP H H 1 7.991 0.020 . 1 . . . . 58 ASP H . 18611 1
270 . 1 1 58 58 ASP C C 13 176.275 0.3 . 1 . . . . 58 ASP C . 18611 1
271 . 1 1 58 58 ASP CA C 13 54.652 0.3 . 1 . . . . 58 ASP CA . 18611 1
272 . 1 1 58 58 ASP CB C 13 39.368 0.3 . 1 . . . . 58 ASP CB . 18611 1
273 . 1 1 58 58 ASP N N 15 120.954 0.3 . 1 . . . . 58 ASP N . 18611 1
274 . 1 1 59 59 TYR H H 1 7.878 0.020 . 1 . . . . 59 TYR H . 18611 1
275 . 1 1 59 59 TYR C C 13 176.071 0.3 . 1 . . . . 59 TYR C . 18611 1
276 . 1 1 59 59 TYR CA C 13 59.160 0.3 . 1 . . . . 59 TYR CA . 18611 1
277 . 1 1 59 59 TYR CB C 13 37.883 0.3 . 1 . . . . 59 TYR CB . 18611 1
278 . 1 1 59 59 TYR N N 15 120.324 0.3 . 1 . . . . 59 TYR N . 18611 1
279 . 1 1 60 60 ASN H H 1 8.007 0.020 . 1 . . . . 60 ASN H . 18611 1
280 . 1 1 60 60 ASN C C 13 176.118 0.3 . 1 . . . . 60 ASN C . 18611 1
281 . 1 1 60 60 ASN CA C 13 54.182 0.3 . 1 . . . . 60 ASN CA . 18611 1
282 . 1 1 60 60 ASN CB C 13 38.048 0.3 . 1 . . . . 60 ASN CB . 18611 1
283 . 1 1 60 60 ASN N N 15 118.866 0.3 . 1 . . . . 60 ASN N . 18611 1
284 . 1 1 61 61 ILE H H 1 7.812 0.020 . 1 . . . . 61 ILE H . 18611 1
285 . 1 1 61 61 ILE C C 13 177.074 0.3 . 1 . . . . 61 ILE C . 18611 1
286 . 1 1 61 61 ILE CA C 13 62.649 0.3 . 1 . . . . 61 ILE CA . 18611 1
287 . 1 1 61 61 ILE CB C 13 37.883 0.3 . 1 . . . . 61 ILE CB . 18611 1
288 . 1 1 61 61 ILE N N 15 120.579 0.3 . 1 . . . . 61 ILE N . 18611 1
289 . 1 1 62 62 GLN H H 1 7.950 0.020 . 1 . . . . 62 GLN H . 18611 1
290 . 1 1 62 62 GLN C C 13 177.074 0.3 . 1 . . . . 62 GLN C . 18611 1
291 . 1 1 62 62 GLN CA C 13 57.083 0.3 . 1 . . . . 62 GLN CA . 18611 1
292 . 1 1 62 62 GLN CB C 13 27.980 0.3 . 1 . . . . 62 GLN CB . 18611 1
293 . 1 1 62 62 GLN N N 15 121.650 0.3 . 1 . . . . 62 GLN N . 18611 1
294 . 1 1 63 63 LYS H H 1 7.926 0.020 . 1 . . . . 63 LYS H . 18611 1
295 . 1 1 63 63 LYS C C 13 177.247 0.3 . 1 . . . . 63 LYS C . 18611 1
296 . 1 1 63 63 LYS CA C 13 57.279 0.3 . 1 . . . . 63 LYS CA . 18611 1
297 . 1 1 63 63 LYS CB C 13 32.024 0.3 . 1 . . . . 63 LYS CB . 18611 1
298 . 1 1 63 63 LYS N N 15 120.740 0.3 . 1 . . . . 63 LYS N . 18611 1
299 . 1 1 64 64 GLU H H 1 7.934 0.020 . 1 . . . . 64 GLU H . 18611 1
300 . 1 1 64 64 GLU C C 13 176.965 0.3 . 1 . . . . 64 GLU C . 18611 1
301 . 1 1 64 64 GLU CA C 13 57.044 0.3 . 1 . . . . 64 GLU CA . 18611 1
302 . 1 1 64 64 GLU CB C 13 28.393 0.3 . 1 . . . . 64 GLU CB . 18611 1
303 . 1 1 64 64 GLU N N 15 119.509 0.3 . 1 . . . . 64 GLU N . 18611 1
304 . 1 1 65 65 SER H H 1 8.039 0.020 . 1 . . . . 65 SER H . 18611 1
305 . 1 1 65 65 SER C C 13 175.522 0.3 . 1 . . . . 65 SER C . 18611 1
306 . 1 1 65 65 SER CA C 13 59.395 0.3 . 1 . . . . 65 SER CA . 18611 1
307 . 1 1 65 65 SER CB C 13 62.969 0.3 . 1 . . . . 65 SER CB . 18611 1
308 . 1 1 65 65 SER N N 15 115.976 0.3 . 1 . . . . 65 SER N . 18611 1
309 . 1 1 66 66 THR H H 1 7.877 0.020 . 1 . . . . 66 THR H . 18611 1
310 . 1 1 66 66 THR C C 13 174.911 0.3 . 1 . . . . 66 THR C . 18611 1
311 . 1 1 66 66 THR CA C 13 63.825 0.3 . 1 . . . . 66 THR CA . 18611 1
312 . 1 1 66 66 THR CB C 13 68.416 0.3 . 1 . . . . 66 THR CB . 18611 1
313 . 1 1 66 66 THR N N 15 116.083 0.3 . 1 . . . . 66 THR N . 18611 1
314 . 1 1 67 67 LEU H H 1 7.722 0.020 . 1 . . . . 67 LEU H . 18611 1
315 . 1 1 67 67 LEU C C 13 177.215 0.3 . 1 . . . . 67 LEU C . 18611 1
316 . 1 1 67 67 LEU CA C 13 56.181 0.3 . 1 . . . . 67 LEU CA . 18611 1
317 . 1 1 67 67 LEU CB C 13 41.431 0.3 . 1 . . . . 67 LEU CB . 18611 1
318 . 1 1 67 67 LEU N N 15 121.971 0.3 . 1 . . . . 67 LEU N . 18611 1
319 . 1 1 68 68 HIS H H 1 7.950 0.020 . 1 . . . . 68 HIS H . 18611 1
320 . 1 1 68 68 HIS C C 13 174.738 0.3 . 1 . . . . 68 HIS C . 18611 1
321 . 1 1 68 68 HIS CA C 13 56.299 0.3 . 1 . . . . 68 HIS CA . 18611 1
322 . 1 1 68 68 HIS CB C 13 27.898 0.3 . 1 . . . . 68 HIS CB . 18611 1
323 . 1 1 68 68 HIS N N 15 116.725 0.3 . 1 . . . . 68 HIS N . 18611 1
324 . 1 1 69 69 LEU H H 1 7.771 0.020 . 1 . . . . 69 LEU H . 18611 1
325 . 1 1 69 69 LEU C C 13 177.184 0.3 . 1 . . . . 69 LEU C . 18611 1
326 . 1 1 69 69 LEU CA C 13 56.142 0.3 . 1 . . . . 69 LEU CA . 18611 1
327 . 1 1 69 69 LEU CB C 13 41.596 0.3 . 1 . . . . 69 LEU CB . 18611 1
328 . 1 1 69 69 LEU N N 15 121.222 0.3 . 1 . . . . 69 LEU N . 18611 1
329 . 1 1 70 70 VAL H H 1 7.893 0.020 . 1 . . . . 70 VAL H . 18611 1
330 . 1 1 70 70 VAL C C 13 176.369 0.3 . 1 . . . . 70 VAL C . 18611 1
331 . 1 1 70 70 VAL CA C 13 63.354 0.3 . 1 . . . . 70 VAL CA . 18611 1
332 . 1 1 70 70 VAL CB C 13 30.208 0.3 . 1 . . . . 70 VAL CB . 18611 1
333 . 1 1 70 70 VAL N N 15 119.348 0.3 . 1 . . . . 70 VAL N . 18611 1
334 . 1 1 71 71 LEU H H 1 7.844 0.020 . 1 . . . . 71 LEU H . 18611 1
335 . 1 1 71 71 LEU C C 13 177.325 0.3 . 1 . . . . 71 LEU C . 18611 1
336 . 1 1 71 71 LEU CA C 13 55.515 0.3 . 1 . . . . 71 LEU CA . 18611 1
337 . 1 1 71 71 LEU CB C 13 41.514 0.3 . 1 . . . . 71 LEU CB . 18611 1
338 . 1 1 71 71 LEU N N 15 122.560 0.3 . 1 . . . . 71 LEU N . 18611 1
339 . 1 1 72 72 ARG H H 1 7.836 0.020 . 1 . . . . 72 ARG H . 18611 1
340 . 1 1 72 72 ARG C C 13 176.526 0.3 . 1 . . . . 72 ARG C . 18611 1
341 . 1 1 72 72 ARG CA C 13 56.299 0.3 . 1 . . . . 72 ARG CA . 18611 1
342 . 1 1 72 72 ARG CB C 13 30.126 0.3 . 1 . . . . 72 ARG CB . 18611 1
343 . 1 1 72 72 ARG N N 15 120.365 0.3 . 1 . . . . 72 ARG N . 18611 1
344 . 1 1 73 73 LEU H H 1 7.917 0.020 . 1 . . . . 73 LEU H . 18611 1
345 . 1 1 73 73 LEU C C 13 177.168 0.3 . 1 . . . . 73 LEU C . 18611 1
346 . 1 1 73 73 LEU CA C 13 55.201 0.3 . 1 . . . . 73 LEU CA . 18611 1
347 . 1 1 73 73 LEU CB C 13 41.761 0.3 . 1 . . . . 73 LEU CB . 18611 1
348 . 1 1 73 73 LEU N N 15 121.382 0.3 . 1 . . . . 73 LEU N . 18611 1
349 . 1 1 74 74 ARG H H 1 7.884 0.020 . 1 . . . . 74 ARG H . 18611 1
350 . 1 1 74 74 ARG C C 13 176.118 0.3 . 1 . . . . 74 ARG C . 18611 1
351 . 1 1 74 74 ARG CA C 13 55.907 0.3 . 1 . . . . 74 ARG CA . 18611 1
352 . 1 1 74 74 ARG CB C 13 30.208 0.3 . 1 . . . . 74 ARG CB . 18611 1
353 . 1 1 74 74 ARG N N 15 119.319 0.3 . 1 . . . . 74 ARG N . 18611 1
354 . 1 1 75 75 GLY H H 1 7.942 0.020 . 1 . . . . 75 GLY H . 18611 1
355 . 1 1 75 75 GLY C C 13 173.186 0.3 . 1 . . . . 75 GLY C . 18611 1
356 . 1 1 75 75 GLY CA C 13 44.971 0.3 . 1 . . . . 75 GLY CA . 18611 1
357 . 1 1 75 75 GLY N N 15 109.016 0.3 . 1 . . . . 75 GLY N . 18611 1
358 . 1 1 76 76 GLY H H 1 7.690 0.020 . 1 . . . . 76 GLY H . 18611 1
359 . 1 1 76 76 GLY CA C 13 45.402 0.3 . 1 . . . . 76 GLY CA . 18611 1
360 . 1 1 76 76 GLY N N 15 113.567 0.3 . 1 . . . . 76 GLY N . 18611 1
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