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 50845
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'Beta a'
_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 TROSY' . . . 50845 1
3 '3D HNCO' . . . 50845 1
5 '3D HNCA' . . . 50845 1
7 '3D HNCACB' . . . 50845 1
9 '3D HN(CO)CA' . . . 50845 1
11 '3D HN(CA)CO' . . . 50845 1
13 '3D HN(CO)CACB' . . . 50845 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 . . 50845 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 13 13 GLY H H 1 7.597 0.005 . 1 . . . . . 13 GLY H . 50845 1
2 . 1 . 1 13 13 GLY C C 13 178.760 0.000 . 1 . . . . . 13 GLY C . 50845 1
3 . 1 . 1 13 13 GLY CA C 13 45.986 0.000 . 1 . . . . . 13 GLY CA . 50845 1
4 . 1 . 1 13 13 GLY N N 15 114.560 0.029 . 1 . . . . . 13 GLY N . 50845 1
5 . 1 . 1 14 14 GLN H H 1 7.621 0.006 . 1 . . . . . 14 GLN H . 50845 1
6 . 1 . 1 14 14 GLN C C 13 177.923 0.022 . 1 . . . . . 14 GLN C . 50845 1
7 . 1 . 1 14 14 GLN CA C 13 58.313 0.039 . 1 . . . . . 14 GLN CA . 50845 1
8 . 1 . 1 14 14 GLN CB C 13 28.151 0.000 . 1 . . . . . 14 GLN CB . 50845 1
9 . 1 . 1 14 14 GLN N N 15 122.475 0.093 . 1 . . . . . 14 GLN N . 50845 1
10 . 1 . 1 15 15 LEU H H 1 8.293 0.006 . 1 . . . . . 15 LEU H . 50845 1
11 . 1 . 1 15 15 LEU C C 13 178.292 0.007 . 1 . . . . . 15 LEU C . 50845 1
12 . 1 . 1 15 15 LEU CA C 13 58.438 0.013 . 1 . . . . . 15 LEU CA . 50845 1
13 . 1 . 1 15 15 LEU CB C 13 40.803 0.000 . 1 . . . . . 15 LEU CB . 50845 1
14 . 1 . 1 15 15 LEU N N 15 121.567 0.025 . 1 . . . . . 15 LEU N . 50845 1
15 . 1 . 1 16 16 ASP H H 1 7.823 0.004 . 1 . . . . . 16 ASP H . 50845 1
16 . 1 . 1 16 16 ASP C C 13 178.868 0.004 . 1 . . . . . 16 ASP C . 50845 1
17 . 1 . 1 16 16 ASP CA C 13 57.646 0.021 . 1 . . . . . 16 ASP CA . 50845 1
18 . 1 . 1 16 16 ASP CB C 13 40.889 0.108 . 1 . . . . . 16 ASP CB . 50845 1
19 . 1 . 1 16 16 ASP N N 15 119.080 0.025 . 1 . . . . . 16 ASP N . 50845 1
20 . 1 . 1 17 17 THR H H 1 7.652 0.006 . 1 . . . . . 17 THR H . 50845 1
21 . 1 . 1 17 17 THR C C 13 177.311 0.003 . 1 . . . . . 17 THR C . 50845 1
22 . 1 . 1 17 17 THR CA C 13 66.548 0.059 . 1 . . . . . 17 THR CA . 50845 1
23 . 1 . 1 17 17 THR CB C 13 68.112 0.000 . 1 . . . . . 17 THR CB . 50845 1
24 . 1 . 1 17 17 THR N N 15 115.953 0.025 . 1 . . . . . 17 THR N . 50845 1
25 . 1 . 1 18 18 TYR H H 1 8.159 0.010 . 1 . . . . . 18 TYR H . 50845 1
26 . 1 . 1 18 18 TYR C C 13 178.282 0.000 . 1 . . . . . 18 TYR C . 50845 1
27 . 1 . 1 18 18 TYR CA C 13 61.060 0.011 . 1 . . . . . 18 TYR CA . 50845 1
28 . 1 . 1 18 18 TYR CB C 13 36.332 1.188 . 1 . . . . . 18 TYR CB . 50845 1
29 . 1 . 1 18 18 TYR N N 15 121.289 0.078 . 1 . . . . . 18 TYR N . 50845 1
30 . 1 . 1 19 19 GLN H H 1 8.653 0.007 . 1 . . . . . 19 GLN H . 50845 1
31 . 1 . 1 19 19 GLN C C 13 179.269 0.027 . 1 . . . . . 19 GLN C . 50845 1
32 . 1 . 1 19 19 GLN CA C 13 59.489 0.000 . 1 . . . . . 19 GLN CA . 50845 1
33 . 1 . 1 19 19 GLN CB C 13 26.727 1.160 . 1 . . . . . 19 GLN CB . 50845 1
34 . 1 . 1 19 19 GLN N N 15 119.149 0.135 . 1 . . . . . 19 GLN N . 50845 1
35 . 1 . 1 20 20 GLN H H 1 8.005 0.017 . 1 . . . . . 20 GLN H . 50845 1
36 . 1 . 1 20 20 GLN C C 13 178.863 0.106 . 1 . . . . . 20 GLN C . 50845 1
37 . 1 . 1 20 20 GLN CA C 13 58.936 0.000 . 1 . . . . . 20 GLN CA . 50845 1
38 . 1 . 1 20 20 GLN N N 15 119.762 0.182 . 1 . . . . . 20 GLN N . 50845 1
39 . 1 . 1 22 22 LEU H H 1 8.569 0.007 . 1 . . . . . 22 LEU H . 50845 1
40 . 1 . 1 22 22 LEU C C 13 178.148 0.024 . 1 . . . . . 22 LEU C . 50845 1
41 . 1 . 1 22 22 LEU CA C 13 57.735 0.029 . 1 . . . . . 22 LEU CA . 50845 1
42 . 1 . 1 22 22 LEU CB C 13 39.879 1.234 . 1 . . . . . 22 LEU CB . 50845 1
43 . 1 . 1 22 22 LEU N N 15 121.040 0.083 . 1 . . . . . 22 LEU N . 50845 1
44 . 1 . 1 23 23 GLN H H 1 7.695 0.005 . 1 . . . . . 23 GLN H . 50845 1
45 . 1 . 1 23 23 GLN C C 13 178.687 0.040 . 1 . . . . . 23 GLN C . 50845 1
46 . 1 . 1 23 23 GLN CA C 13 58.799 0.109 . 1 . . . . . 23 GLN CA . 50845 1
47 . 1 . 1 23 23 GLN CB C 13 27.360 0.026 . 1 . . . . . 23 GLN CB . 50845 1
48 . 1 . 1 23 23 GLN N N 15 116.596 0.140 . 1 . . . . . 23 GLN N . 50845 1
49 . 1 . 1 24 24 LEU H H 1 7.434 0.010 . 1 . . . . . 24 LEU H . 50845 1
50 . 1 . 1 24 24 LEU C C 13 179.790 0.011 . 1 . . . . . 24 LEU C . 50845 1
51 . 1 . 1 24 24 LEU CA C 13 57.820 0.047 . 1 . . . . . 24 LEU CA . 50845 1
52 . 1 . 1 24 24 LEU CB C 13 40.786 0.000 . 1 . . . . . 24 LEU CB . 50845 1
53 . 1 . 1 24 24 LEU N N 15 119.621 0.103 . 1 . . . . . 24 LEU N . 50845 1
54 . 1 . 1 25 25 VAL H H 1 8.066 0.003 . 1 . . . . . 25 VAL H . 50845 1
55 . 1 . 1 25 25 VAL C C 13 178.005 0.023 . 1 . . . . . 25 VAL C . 50845 1
56 . 1 . 1 25 25 VAL CA C 13 66.549 0.025 . 1 . . . . . 25 VAL CA . 50845 1
57 . 1 . 1 25 25 VAL CB C 13 30.806 0.000 . 1 . . . . . 25 VAL CB . 50845 1
58 . 1 . 1 25 25 VAL N N 15 121.231 0.026 . 1 . . . . . 25 VAL N . 50845 1
59 . 1 . 1 26 26 ILE H H 1 8.431 0.003 . 1 . . . . . 26 ILE H . 50845 1
60 . 1 . 1 26 26 ILE C C 13 178.836 0.018 . 1 . . . . . 26 ILE C . 50845 1
61 . 1 . 1 26 26 ILE CA C 13 65.323 0.024 . 1 . . . . . 26 ILE CA . 50845 1
62 . 1 . 1 26 26 ILE CB C 13 36.031 1.173 . 1 . . . . . 26 ILE CB . 50845 1
63 . 1 . 1 26 26 ILE N N 15 120.588 0.041 . 1 . . . . . 26 ILE N . 50845 1
64 . 1 . 1 27 27 GLN H H 1 7.926 0.006 . 1 . . . . . 27 GLN H . 50845 1
65 . 1 . 1 27 27 GLN C C 13 179.643 0.017 . 1 . . . . . 27 GLN C . 50845 1
66 . 1 . 1 27 27 GLN CA C 13 58.992 0.043 . 1 . . . . . 27 GLN CA . 50845 1
67 . 1 . 1 27 27 GLN CB C 13 27.912 0.118 . 1 . . . . . 27 GLN CB . 50845 1
68 . 1 . 1 27 27 GLN N N 15 119.702 0.137 . 1 . . . . . 27 GLN N . 50845 1
69 . 1 . 1 28 28 GLN H H 1 8.232 0.005 . 1 . . . . . 28 GLN H . 50845 1
70 . 1 . 1 28 28 GLN C C 13 178.292 0.000 . 1 . . . . . 28 GLN C . 50845 1
71 . 1 . 1 28 28 GLN CA C 13 66.324 0.000 . 1 . . . . . 28 GLN CA . 50845 1
72 . 1 . 1 28 28 GLN CB C 13 28.387 0.000 . 1 . . . . . 28 GLN CB . 50845 1
73 . 1 . 1 28 28 GLN N N 15 119.808 0.068 . 1 . . . . . 28 GLN N . 50845 1
74 . 1 . 1 29 29 LYS H H 1 8.932 0.004 . 1 . . . . . 29 LYS H . 50845 1
75 . 1 . 1 29 29 LYS C C 13 178.111 0.054 . 1 . . . . . 29 LYS C . 50845 1
76 . 1 . 1 29 29 LYS CA C 13 60.136 0.030 . 1 . . . . . 29 LYS CA . 50845 1
77 . 1 . 1 29 29 LYS CB C 13 31.553 0.035 . 1 . . . . . 29 LYS CB . 50845 1
78 . 1 . 1 29 29 LYS N N 15 120.777 0.023 . 1 . . . . . 29 LYS N . 50845 1
79 . 1 . 1 30 30 GLN H H 1 8.052 0.003 . 1 . . . . . 30 GLN H . 50845 1
80 . 1 . 1 30 30 GLN C C 13 178.739 0.000 . 1 . . . . . 30 GLN C . 50845 1
81 . 1 . 1 30 30 GLN CA C 13 58.785 0.070 . 1 . . . . . 30 GLN CA . 50845 1
82 . 1 . 1 30 30 GLN CB C 13 27.511 0.000 . 1 . . . . . 30 GLN CB . 50845 1
83 . 1 . 1 30 30 GLN N N 15 117.714 0.017 . 1 . . . . . 30 GLN N . 50845 1
84 . 1 . 1 31 31 LYS H H 1 7.369 0.005 . 1 . . . . . 31 LYS H . 50845 1
85 . 1 . 1 31 31 LYS C C 13 178.276 0.012 . 1 . . . . . 31 LYS C . 50845 1
86 . 1 . 1 31 31 LYS CA C 13 58.776 0.003 . 1 . . . . . 31 LYS CA . 50845 1
87 . 1 . 1 31 31 LYS CB C 13 31.466 0.000 . 1 . . . . . 31 LYS CB . 50845 1
88 . 1 . 1 31 31 LYS N N 15 121.101 0.035 . 1 . . . . . 31 LYS N . 50845 1
89 . 1 . 1 32 32 VAL H H 1 8.186 0.006 . 1 . . . . . 32 VAL H . 50845 1
90 . 1 . 1 32 32 VAL C C 13 178.052 0.041 . 1 . . . . . 32 VAL C . 50845 1
91 . 1 . 1 32 32 VAL CA C 13 66.245 0.024 . 1 . . . . . 32 VAL CA . 50845 1
92 . 1 . 1 32 32 VAL CB C 13 30.514 0.000 . 1 . . . . . 32 VAL CB . 50845 1
93 . 1 . 1 32 32 VAL N N 15 120.039 0.029 . 1 . . . . . 32 VAL N . 50845 1
94 . 1 . 1 33 33 GLN H H 1 8.572 0.012 . 1 . . . . . 33 GLN H . 50845 1
95 . 1 . 1 33 33 GLN C C 13 178.220 0.063 . 1 . . . . . 33 GLN C . 50845 1
96 . 1 . 1 33 33 GLN CA C 13 59.214 0.000 . 1 . . . . . 33 GLN CA . 50845 1
97 . 1 . 1 33 33 GLN CB C 13 28.317 0.030 . 1 . . . . . 33 GLN CB . 50845 1
98 . 1 . 1 33 33 GLN N N 15 118.289 0.031 . 1 . . . . . 33 GLN N . 50845 1
99 . 1 . 1 34 34 ALA H H 1 7.686 0.007 . 1 . . . . . 34 ALA H . 50845 1
100 . 1 . 1 34 34 ALA C C 13 180.470 0.008 . 1 . . . . . 34 ALA C . 50845 1
101 . 1 . 1 34 34 ALA CA C 13 55.202 0.000 . 1 . . . . . 34 ALA CA . 50845 1
102 . 1 . 1 34 34 ALA CB C 13 15.990 1.170 . 1 . . . . . 34 ALA CB . 50845 1
103 . 1 . 1 34 34 ALA N N 15 122.637 0.116 . 1 . . . . . 34 ALA N . 50845 1
104 . 1 . 1 35 35 ASP H H 1 8.351 0.018 . 1 . . . . . 35 ASP H . 50845 1
105 . 1 . 1 35 35 ASP C C 13 179.562 0.047 . 1 . . . . . 35 ASP C . 50845 1
106 . 1 . 1 35 35 ASP CA C 13 57.273 0.021 . 1 . . . . . 35 ASP CA . 50845 1
107 . 1 . 1 35 35 ASP CB C 13 39.784 0.000 . 1 . . . . . 35 ASP CB . 50845 1
108 . 1 . 1 35 35 ASP N N 15 121.464 0.076 . 1 . . . . . 35 ASP N . 50845 1
109 . 1 . 1 36 36 LEU H H 1 8.864 0.006 . 1 . . . . . 36 LEU H . 50845 1
110 . 1 . 1 36 36 LEU C C 13 177.954 0.000 . 1 . . . . . 36 LEU C . 50845 1
111 . 1 . 1 36 36 LEU CA C 13 58.160 0.000 . 1 . . . . . 36 LEU CA . 50845 1
112 . 1 . 1 36 36 LEU CB C 13 41.308 0.000 . 1 . . . . . 36 LEU CB . 50845 1
113 . 1 . 1 36 36 LEU N N 15 124.315 0.009 . 1 . . . . . 36 LEU N . 50845 1
114 . 1 . 1 37 37 ASN H H 1 8.333 0.006 . 1 . . . . . 37 ASN H . 50845 1
115 . 1 . 1 37 37 ASN C C 13 177.963 0.000 . 1 . . . . . 37 ASN C . 50845 1
116 . 1 . 1 37 37 ASN CA C 13 56.298 0.014 . 1 . . . . . 37 ASN CA . 50845 1
117 . 1 . 1 37 37 ASN CB C 13 37.840 0.000 . 1 . . . . . 37 ASN CB . 50845 1
118 . 1 . 1 37 37 ASN N N 15 118.648 0.011 . 1 . . . . . 37 ASN N . 50845 1
119 . 1 . 1 38 38 GLU H H 1 8.118 0.005 . 1 . . . . . 38 GLU H . 50845 1
120 . 1 . 1 38 38 GLU C C 13 178.599 0.000 . 1 . . . . . 38 GLU C . 50845 1
121 . 1 . 1 38 38 GLU CA C 13 59.559 0.000 . 1 . . . . . 38 GLU CA . 50845 1
122 . 1 . 1 38 38 GLU CB C 13 29.080 0.000 . 1 . . . . . 38 GLU CB . 50845 1
123 . 1 . 1 38 38 GLU N N 15 120.140 0.048 . 1 . . . . . 38 GLU N . 50845 1
124 . 1 . 1 41 41 LYS H H 1 7.378 0.012 . 1 . . . . . 41 LYS H . 50845 1
125 . 1 . 1 41 41 LYS C C 13 178.989 0.062 . 1 . . . . . 41 LYS C . 50845 1
126 . 1 . 1 41 41 LYS CA C 13 58.401 0.031 . 1 . . . . . 41 LYS CA . 50845 1
127 . 1 . 1 41 41 LYS CB C 13 31.341 0.125 . 1 . . . . . 41 LYS CB . 50845 1
128 . 1 . 1 41 41 LYS N N 15 118.724 0.126 . 1 . . . . . 41 LYS N . 50845 1
129 . 1 . 1 42 42 ALA H H 1 7.875 0.009 . 1 . . . . . 42 ALA H . 50845 1
130 . 1 . 1 42 42 ALA C C 13 179.036 0.000 . 1 . . . . . 42 ALA C . 50845 1
131 . 1 . 1 42 42 ALA CA C 13 54.846 0.000 . 1 . . . . . 42 ALA CA . 50845 1
132 . 1 . 1 42 42 ALA CB C 13 17.342 0.000 . 1 . . . . . 42 ALA CB . 50845 1
133 . 1 . 1 42 42 ALA N N 15 122.182 0.021 . 1 . . . . . 42 ALA N . 50845 1
134 . 1 . 1 43 43 LEU H H 1 8.162 0.004 . 1 . . . . . 43 LEU H . 50845 1
135 . 1 . 1 43 43 LEU C C 13 179.069 0.021 . 1 . . . . . 43 LEU C . 50845 1
136 . 1 . 1 43 43 LEU CA C 13 58.058 0.151 . 1 . . . . . 43 LEU CA . 50845 1
137 . 1 . 1 43 43 LEU CB C 13 40.445 0.000 . 1 . . . . . 43 LEU CB . 50845 1
138 . 1 . 1 43 43 LEU N N 15 118.527 0.012 . 1 . . . . . 43 LEU N . 50845 1
139 . 1 . 1 44 44 GLU H H 1 8.361 0.009 . 1 . . . . . 44 GLU H . 50845 1
140 . 1 . 1 44 44 GLU C C 13 179.711 0.000 . 1 . . . . . 44 GLU C . 50845 1
141 . 1 . 1 44 44 GLU CA C 13 58.955 0.022 . 1 . . . . . 44 GLU CA . 50845 1
142 . 1 . 1 44 44 GLU CB C 13 29.062 0.007 . 1 . . . . . 44 GLU CB . 50845 1
143 . 1 . 1 44 44 GLU N N 15 119.256 0.022 . 1 . . . . . 44 GLU N . 50845 1
144 . 1 . 1 45 45 GLU H H 1 7.983 0.008 . 1 . . . . . 45 GLU H . 50845 1
145 . 1 . 1 45 45 GLU C C 13 178.817 0.000 . 1 . . . . . 45 GLU C . 50845 1
146 . 1 . 1 45 45 GLU CA C 13 58.924 0.017 . 1 . . . . . 45 GLU CA . 50845 1
147 . 1 . 1 45 45 GLU CB C 13 27.656 0.000 . 1 . . . . . 45 GLU CB . 50845 1
148 . 1 . 1 45 45 GLU N N 15 119.738 0.024 . 1 . . . . . 45 GLU N . 50845 1
149 . 1 . 1 46 46 ILE H H 1 8.272 0.014 . 1 . . . . . 46 ILE H . 50845 1
150 . 1 . 1 46 46 ILE C C 13 178.220 0.000 . 1 . . . . . 46 ILE C . 50845 1
151 . 1 . 1 46 46 ILE CA C 13 63.927 0.041 . 1 . . . . . 46 ILE CA . 50845 1
152 . 1 . 1 46 46 ILE CB C 13 36.193 1.193 . 1 . . . . . 46 ILE CB . 50845 1
153 . 1 . 1 46 46 ILE N N 15 119.999 0.043 . 1 . . . . . 46 ILE N . 50845 1
154 . 1 . 1 47 47 GLU H H 1 8.670 0.007 . 1 . . . . . 47 GLU H . 50845 1
155 . 1 . 1 47 47 GLU C C 13 178.102 0.000 . 1 . . . . . 47 GLU C . 50845 1
156 . 1 . 1 47 47 GLU CA C 13 59.845 0.000 . 1 . . . . . 47 GLU CA . 50845 1
157 . 1 . 1 47 47 GLU CB C 13 29.212 0.000 . 1 . . . . . 47 GLU CB . 50845 1
158 . 1 . 1 47 47 GLU N N 15 117.765 0.139 . 1 . . . . . 47 GLU N . 50845 1
159 . 1 . 1 49 49 LEU H H 1 7.316 0.014 . 1 . . . . . 49 LEU H . 50845 1
160 . 1 . 1 49 49 LEU C C 13 174.820 0.000 . 1 . . . . . 49 LEU C . 50845 1
161 . 1 . 1 49 49 LEU CA C 13 53.200 0.000 . 1 . . . . . 49 LEU CA . 50845 1
162 . 1 . 1 49 49 LEU CB C 13 40.229 0.000 . 1 . . . . . 49 LEU CB . 50845 1
163 . 1 . 1 49 49 LEU N N 15 122.663 0.139 . 1 . . . . . 49 LEU N . 50845 1
164 . 1 . 1 53 53 ALA H H 1 7.377 0.006 . 1 . . . . . 53 ALA H . 50845 1
165 . 1 . 1 53 53 ALA C C 13 177.319 0.013 . 1 . . . . . 53 ALA C . 50845 1
166 . 1 . 1 53 53 ALA CA C 13 52.597 0.037 . 1 . . . . . 53 ALA CA . 50845 1
167 . 1 . 1 53 53 ALA CB C 13 18.880 1.158 . 1 . . . . . 53 ALA CB . 50845 1
168 . 1 . 1 53 53 ALA N N 15 122.078 0.113 . 1 . . . . . 53 ALA N . 50845 1
169 . 1 . 1 54 54 GLN H H 1 8.963 0.005 . 1 . . . . . 54 GLN H . 50845 1
170 . 1 . 1 54 54 GLN C C 13 173.509 0.000 . 1 . . . . . 54 GLN C . 50845 1
171 . 1 . 1 54 54 GLN CA C 13 54.961 0.007 . 1 . . . . . 54 GLN CA . 50845 1
172 . 1 . 1 54 54 GLN CB C 13 28.500 0.000 . 1 . . . . . 54 GLN CB . 50845 1
173 . 1 . 1 54 54 GLN N N 15 121.856 0.137 . 1 . . . . . 54 GLN N . 50845 1
174 . 1 . 1 55 55 ILE H H 1 7.453 0.009 . 1 . . . . . 55 ILE H . 50845 1
175 . 1 . 1 55 55 ILE C C 13 173.216 0.089 . 1 . . . . . 55 ILE C . 50845 1
176 . 1 . 1 55 55 ILE CA C 13 58.716 0.013 . 1 . . . . . 55 ILE CA . 50845 1
177 . 1 . 1 55 55 ILE CB C 13 38.656 1.171 . 1 . . . . . 55 ILE CB . 50845 1
178 . 1 . 1 55 55 ILE N N 15 124.734 0.137 . 1 . . . . . 55 ILE N . 50845 1
179 . 1 . 1 56 56 TYR H H 1 9.260 0.014 . 1 . . . . . 56 TYR H . 50845 1
180 . 1 . 1 56 56 TYR C C 13 174.479 0.035 . 1 . . . . . 56 TYR C . 50845 1
181 . 1 . 1 56 56 TYR CA C 13 56.331 0.017 . 1 . . . . . 56 TYR CA . 50845 1
182 . 1 . 1 56 56 TYR CB C 13 40.203 0.000 . 1 . . . . . 56 TYR CB . 50845 1
183 . 1 . 1 56 56 TYR N N 15 125.155 0.136 . 1 . . . . . 56 TYR N . 50845 1
184 . 1 . 1 57 57 LYS H H 1 9.341 0.007 . 1 . . . . . 57 LYS H . 50845 1
185 . 1 . 1 57 57 LYS C C 13 175.169 0.015 . 1 . . . . . 57 LYS C . 50845 1
186 . 1 . 1 57 57 LYS CA C 13 53.719 0.055 . 1 . . . . . 57 LYS CA . 50845 1
187 . 1 . 1 57 57 LYS CB C 13 35.781 0.000 . 1 . . . . . 57 LYS CB . 50845 1
188 . 1 . 1 57 57 LYS N N 15 122.903 0.114 . 1 . . . . . 57 LYS N . 50845 1
189 . 1 . 1 58 58 THR H H 1 8.224 0.007 . 1 . . . . . 58 THR H . 50845 1
190 . 1 . 1 58 58 THR C C 13 174.327 0.027 . 1 . . . . . 58 THR C . 50845 1
191 . 1 . 1 58 58 THR CA C 13 61.992 0.022 . 1 . . . . . 58 THR CA . 50845 1
192 . 1 . 1 58 58 THR CB C 13 68.901 0.024 . 1 . . . . . 58 THR CB . 50845 1
193 . 1 . 1 58 58 THR N N 15 121.041 0.116 . 1 . . . . . 58 THR N . 50845 1
194 . 1 . 1 59 59 VAL H H 1 8.930 0.008 . 1 . . . . . 59 VAL H . 50845 1
195 . 1 . 1 59 59 VAL C C 13 175.465 0.000 . 1 . . . . . 59 VAL C . 50845 1
196 . 1 . 1 59 59 VAL CA C 13 60.225 0.000 . 1 . . . . . 59 VAL CA . 50845 1
197 . 1 . 1 59 59 VAL CB C 13 32.000 0.000 . 1 . . . . . 59 VAL CB . 50845 1
198 . 1 . 1 59 59 VAL N N 15 129.557 0.111 . 1 . . . . . 59 VAL N . 50845 1
199 . 1 . 1 62 62 LEU H H 1 8.092 0.006 . 1 . . . . . 62 LEU H . 50845 1
200 . 1 . 1 62 62 LEU C C 13 176.056 0.019 . 1 . . . . . 62 LEU C . 50845 1
201 . 1 . 1 62 62 LEU CA C 13 53.573 0.048 . 1 . . . . . 62 LEU CA . 50845 1
202 . 1 . 1 62 62 LEU CB C 13 42.504 1.171 . 1 . . . . . 62 LEU CB . 50845 1
203 . 1 . 1 62 62 LEU N N 15 122.710 0.138 . 1 . . . . . 62 LEU N . 50845 1
204 . 1 . 1 63 63 ILE H H 1 8.753 0.003 . 1 . . . . . 63 ILE H . 50845 1
205 . 1 . 1 63 63 ILE C C 13 175.473 0.021 . 1 . . . . . 63 ILE C . 50845 1
206 . 1 . 1 63 63 ILE CA C 13 60.795 0.024 . 1 . . . . . 63 ILE CA . 50845 1
207 . 1 . 1 63 63 ILE CB C 13 39.868 0.000 . 1 . . . . . 63 ILE CB . 50845 1
208 . 1 . 1 63 63 ILE N N 15 122.215 0.017 . 1 . . . . . 63 ILE N . 50845 1
209 . 1 . 1 64 64 VAL H H 1 9.040 0.004 . 1 . . . . . 64 VAL H . 50845 1
210 . 1 . 1 64 64 VAL C C 13 174.905 0.010 . 1 . . . . . 64 VAL C . 50845 1
211 . 1 . 1 64 64 VAL CA C 13 58.955 0.009 . 1 . . . . . 64 VAL CA . 50845 1
212 . 1 . 1 64 64 VAL CB C 13 33.454 1.221 . 1 . . . . . 64 VAL CB . 50845 1
213 . 1 . 1 64 64 VAL N N 15 122.559 0.024 . 1 . . . . . 64 VAL N . 50845 1
214 . 1 . 1 65 65 LYS H H 1 8.013 0.004 . 1 . . . . . 65 LYS H . 50845 1
215 . 1 . 1 65 65 LYS C C 13 175.757 0.008 . 1 . . . . . 65 LYS C . 50845 1
216 . 1 . 1 65 65 LYS CA C 13 56.401 0.026 . 1 . . . . . 65 LYS CA . 50845 1
217 . 1 . 1 65 65 LYS CB C 13 32.673 0.000 . 1 . . . . . 65 LYS CB . 50845 1
218 . 1 . 1 65 65 LYS N N 15 126.210 0.119 . 1 . . . . . 65 LYS N . 50845 1
219 . 1 . 1 66 66 THR H H 1 8.839 0.011 . 1 . . . . . 66 THR H . 50845 1
220 . 1 . 1 66 66 THR C C 13 172.948 0.009 . 1 . . . . . 66 THR C . 50845 1
221 . 1 . 1 66 66 THR CA C 13 58.290 0.000 . 1 . . . . . 66 THR CA . 50845 1
222 . 1 . 1 66 66 THR CB C 13 69.927 0.000 . 1 . . . . . 66 THR CB . 50845 1
223 . 1 . 1 66 66 THR N N 15 122.974 0.130 . 1 . . . . . 66 THR N . 50845 1
224 . 1 . 1 67 67 THR H H 1 8.302 0.006 . 1 . . . . . 67 THR H . 50845 1
225 . 1 . 1 67 67 THR C C 13 174.914 0.035 . 1 . . . . . 67 THR C . 50845 1
226 . 1 . 1 67 67 THR CA C 13 58.798 0.080 . 1 . . . . . 67 THR CA . 50845 1
227 . 1 . 1 67 67 THR CB C 13 71.580 0.000 . 1 . . . . . 67 THR CB . 50845 1
228 . 1 . 1 67 67 THR N N 15 112.204 0.038 . 1 . . . . . 67 THR N . 50845 1
229 . 1 . 1 68 68 LYS H H 1 9.106 0.010 . 1 . . . . . 68 LYS H . 50845 1
230 . 1 . 1 68 68 LYS C C 13 177.198 0.023 . 1 . . . . . 68 LYS C . 50845 1
231 . 1 . 1 68 68 LYS CA C 13 60.409 0.044 . 1 . . . . . 68 LYS CA . 50845 1
232 . 1 . 1 68 68 LYS CB C 13 31.729 0.000 . 1 . . . . . 68 LYS CB . 50845 1
233 . 1 . 1 68 68 LYS N N 15 123.283 0.030 . 1 . . . . . 68 LYS N . 50845 1
234 . 1 . 1 69 69 GLU H H 1 8.257 0.003 . 1 . . . . . 69 GLU H . 50845 1
235 . 1 . 1 69 69 GLU C C 13 178.912 0.014 . 1 . . . . . 69 GLU C . 50845 1
236 . 1 . 1 69 69 GLU CA C 13 59.339 0.000 . 1 . . . . . 69 GLU CA . 50845 1
237 . 1 . 1 69 69 GLU CB C 13 28.801 0.000 . 1 . . . . . 69 GLU CB . 50845 1
238 . 1 . 1 69 69 GLU N N 15 116.157 0.014 . 1 . . . . . 69 GLU N . 50845 1
239 . 1 . 1 70 70 LYS H H 1 7.353 0.002 . 1 . . . . . 70 LYS H . 50845 1
240 . 1 . 1 70 70 LYS C C 13 178.222 0.003 . 1 . . . . . 70 LYS C . 50845 1
241 . 1 . 1 70 70 LYS CA C 13 58.447 0.018 . 1 . . . . . 70 LYS CA . 50845 1
242 . 1 . 1 70 70 LYS CB C 13 31.473 0.000 . 1 . . . . . 70 LYS CB . 50845 1
243 . 1 . 1 70 70 LYS N N 15 119.271 0.015 . 1 . . . . . 70 LYS N . 50845 1
244 . 1 . 1 71 71 ALA H H 1 8.127 0.003 . 1 . . . . . 71 ALA H . 50845 1
245 . 1 . 1 71 71 ALA C C 13 179.129 0.072 . 1 . . . . . 71 ALA C . 50845 1
246 . 1 . 1 71 71 ALA CA C 13 54.861 0.032 . 1 . . . . . 71 ALA CA . 50845 1
247 . 1 . 1 71 71 ALA CB C 13 18.095 0.010 . 1 . . . . . 71 ALA CB . 50845 1
248 . 1 . 1 71 71 ALA N N 15 121.875 0.017 . 1 . . . . . 71 ALA N . 50845 1
249 . 1 . 1 72 72 VAL H H 1 8.350 0.008 . 1 . . . . . 72 VAL H . 50845 1
250 . 1 . 1 72 72 VAL CB C 13 30.699 0.000 . 1 . . . . . 72 VAL CB . 50845 1
251 . 1 . 1 72 72 VAL N N 15 115.379 0.074 . 1 . . . . . 72 VAL N . 50845 1
252 . 1 . 1 73 73 GLN H H 1 7.496 0.006 . 1 . . . . . 73 GLN H . 50845 1
253 . 1 . 1 73 73 GLN C C 13 178.748 0.000 . 1 . . . . . 73 GLN C . 50845 1
254 . 1 . 1 73 73 GLN CA C 13 58.958 0.036 . 1 . . . . . 73 GLN CA . 50845 1
255 . 1 . 1 73 73 GLN CB C 13 27.425 0.000 . 1 . . . . . 73 GLN CB . 50845 1
256 . 1 . 1 73 73 GLN N N 15 118.679 0.007 . 1 . . . . . 73 GLN N . 50845 1
257 . 1 . 1 74 74 GLU H H 1 7.474 0.004 . 1 . . . . . 74 GLU H . 50845 1
258 . 1 . 1 74 74 GLU C C 13 179.452 0.000 . 1 . . . . . 74 GLU C . 50845 1
259 . 1 . 1 74 74 GLU CA C 13 57.795 0.000 . 1 . . . . . 74 GLU CA . 50845 1
260 . 1 . 1 74 74 GLU CB C 13 29.018 0.000 . 1 . . . . . 74 GLU CB . 50845 1
261 . 1 . 1 74 74 GLU N N 15 116.407 0.021 . 1 . . . . . 74 GLU N . 50845 1
262 . 1 . 1 76 76 LYS H H 1 7.957 0.007 . 1 . . . . . 76 LYS H . 50845 1
263 . 1 . 1 76 76 LYS C C 13 178.740 0.002 . 1 . . . . . 76 LYS C . 50845 1
264 . 1 . 1 76 76 LYS CA C 13 59.258 0.000 . 1 . . . . . 76 LYS CA . 50845 1
265 . 1 . 1 76 76 LYS CB C 13 31.456 0.000 . 1 . . . . . 76 LYS CB . 50845 1
266 . 1 . 1 76 76 LYS N N 15 122.317 0.018 . 1 . . . . . 76 LYS N . 50845 1
267 . 1 . 1 77 77 GLU H H 1 8.027 0.005 . 1 . . . . . 77 GLU H . 50845 1
268 . 1 . 1 77 77 GLU CA C 13 59.170 0.014 . 1 . . . . . 77 GLU CA . 50845 1
269 . 1 . 1 77 77 GLU CB C 13 28.901 0.000 . 1 . . . . . 77 GLU CB . 50845 1
270 . 1 . 1 77 77 GLU N N 15 118.530 0.017 . 1 . . . . . 77 GLU N . 50845 1
271 . 1 . 1 78 78 LYS H H 1 8.257 0.004 . 1 . . . . . 78 LYS H . 50845 1
272 . 1 . 1 78 78 LYS C C 13 178.757 0.026 . 1 . . . . . 78 LYS C . 50845 1
273 . 1 . 1 78 78 LYS CA C 13 59.611 0.013 . 1 . . . . . 78 LYS CA . 50845 1
274 . 1 . 1 78 78 LYS CB C 13 32.028 0.000 . 1 . . . . . 78 LYS CB . 50845 1
275 . 1 . 1 78 78 LYS N N 15 123.005 0.016 . 1 . . . . . 78 LYS N . 50845 1
276 . 1 . 1 79 79 ILE H H 1 8.609 0.002 . 1 . . . . . 79 ILE H . 50845 1
277 . 1 . 1 79 79 ILE C C 13 177.190 0.000 . 1 . . . . . 79 ILE C . 50845 1
278 . 1 . 1 79 79 ILE CA C 13 65.918 0.000 . 1 . . . . . 79 ILE CA . 50845 1
279 . 1 . 1 79 79 ILE CB C 13 38.150 0.080 . 1 . . . . . 79 ILE CB . 50845 1
280 . 1 . 1 79 79 ILE N N 15 120.012 0.011 . 1 . . . . . 79 ILE N . 50845 1
281 . 1 . 1 80 80 GLU H H 1 7.862 0.014 . 1 . . . . . 80 GLU H . 50845 1
282 . 1 . 1 80 80 GLU C C 13 179.184 0.000 . 1 . . . . . 80 GLU C . 50845 1
283 . 1 . 1 80 80 GLU CA C 13 59.625 0.000 . 1 . . . . . 80 GLU CA . 50845 1
284 . 1 . 1 80 80 GLU CB C 13 28.788 0.000 . 1 . . . . . 80 GLU CB . 50845 1
285 . 1 . 1 80 80 GLU N N 15 119.100 0.094 . 1 . . . . . 80 GLU N . 50845 1
286 . 1 . 1 81 81 THR H H 1 8.000 0.004 . 1 . . . . . 81 THR H . 50845 1
287 . 1 . 1 81 81 THR C C 13 177.334 0.000 . 1 . . . . . 81 THR C . 50845 1
288 . 1 . 1 81 81 THR CA C 13 66.260 0.000 . 1 . . . . . 81 THR CA . 50845 1
289 . 1 . 1 81 81 THR CB C 13 68.657 0.000 . 1 . . . . . 81 THR CB . 50845 1
290 . 1 . 1 81 81 THR N N 15 114.197 0.012 . 1 . . . . . 81 THR N . 50845 1
291 . 1 . 1 82 82 LEU H H 1 8.417 0.008 . 1 . . . . . 82 LEU H . 50845 1
292 . 1 . 1 82 82 LEU C C 13 178.759 0.005 . 1 . . . . . 82 LEU C . 50845 1
293 . 1 . 1 82 82 LEU CA C 13 57.916 0.013 . 1 . . . . . 82 LEU CA . 50845 1
294 . 1 . 1 82 82 LEU CB C 13 40.990 1.194 . 1 . . . . . 82 LEU CB . 50845 1
295 . 1 . 1 82 82 LEU N N 15 123.569 0.021 . 1 . . . . . 82 LEU N . 50845 1
296 . 1 . 1 83 83 GLU H H 1 8.686 0.013 . 1 . . . . . 83 GLU H . 50845 1
297 . 1 . 1 83 83 GLU C C 13 180.107 0.004 . 1 . . . . . 83 GLU C . 50845 1
298 . 1 . 1 83 83 GLU CA C 13 60.258 0.050 . 1 . . . . . 83 GLU CA . 50845 1
299 . 1 . 1 83 83 GLU CB C 13 28.790 0.000 . 1 . . . . . 83 GLU CB . 50845 1
300 . 1 . 1 83 83 GLU N N 15 120.634 0.137 . 1 . . . . . 83 GLU N . 50845 1
301 . 1 . 1 84 84 VAL H H 1 7.790 0.005 . 1 . . . . . 84 VAL H . 50845 1
302 . 1 . 1 84 84 VAL C C 13 179.494 0.009 . 1 . . . . . 84 VAL C . 50845 1
303 . 1 . 1 84 84 VAL CA C 13 66.393 0.034 . 1 . . . . . 84 VAL CA . 50845 1
304 . 1 . 1 84 84 VAL CB C 13 30.868 0.000 . 1 . . . . . 84 VAL CB . 50845 1
305 . 1 . 1 84 84 VAL N N 15 120.345 0.034 . 1 . . . . . 84 VAL N . 50845 1
306 . 1 . 1 85 85 ARG H H 1 7.802 0.006 . 1 . . . . . 85 ARG H . 50845 1
307 . 1 . 1 85 85 ARG C C 13 178.697 0.026 . 1 . . . . . 85 ARG C . 50845 1
308 . 1 . 1 85 85 ARG CA C 13 58.812 0.062 . 1 . . . . . 85 ARG CA . 50845 1
309 . 1 . 1 85 85 ARG CB C 13 28.179 1.181 . 1 . . . . . 85 ARG CB . 50845 1
310 . 1 . 1 85 85 ARG N N 15 121.803 0.039 . 1 . . . . . 85 ARG N . 50845 1
311 . 1 . 1 86 86 LEU H H 1 8.740 0.010 . 1 . . . . . 86 LEU H . 50845 1
312 . 1 . 1 86 86 LEU C C 13 178.690 0.000 . 1 . . . . . 86 LEU C . 50845 1
313 . 1 . 1 86 86 LEU CA C 13 57.966 0.011 . 1 . . . . . 86 LEU CA . 50845 1
314 . 1 . 1 86 86 LEU CB C 13 40.775 0.000 . 1 . . . . . 86 LEU CB . 50845 1
315 . 1 . 1 86 86 LEU N N 15 121.154 0.138 . 1 . . . . . 86 LEU N . 50845 1
316 . 1 . 1 87 87 ASN H H 1 8.082 0.009 . 1 . . . . . 87 ASN H . 50845 1
317 . 1 . 1 87 87 ASN C C 13 177.942 0.014 . 1 . . . . . 87 ASN C . 50845 1
318 . 1 . 1 87 87 ASN CA C 13 56.530 0.024 . 1 . . . . . 87 ASN CA . 50845 1
319 . 1 . 1 87 87 ASN CB C 13 38.276 0.163 . 1 . . . . . 87 ASN CB . 50845 1
320 . 1 . 1 87 87 ASN N N 15 117.804 0.138 . 1 . . . . . 87 ASN N . 50845 1
321 . 1 . 1 88 88 ALA H H 1 7.935 0.010 . 1 . . . . . 88 ALA H . 50845 1
322 . 1 . 1 88 88 ALA C C 13 181.221 0.014 . 1 . . . . . 88 ALA C . 50845 1
323 . 1 . 1 88 88 ALA CA C 13 55.152 0.042 . 1 . . . . . 88 ALA CA . 50845 1
324 . 1 . 1 88 88 ALA CB C 13 16.492 1.173 . 1 . . . . . 88 ALA CB . 50845 1
325 . 1 . 1 88 88 ALA N N 15 122.938 0.132 . 1 . . . . . 88 ALA N . 50845 1
326 . 1 . 1 89 89 LEU H H 1 8.326 0.010 . 1 . . . . . 89 LEU H . 50845 1
327 . 1 . 1 89 89 LEU C C 13 178.906 0.003 . 1 . . . . . 89 LEU C . 50845 1
328 . 1 . 1 89 89 LEU CA C 13 57.863 0.020 . 1 . . . . . 89 LEU CA . 50845 1
329 . 1 . 1 89 89 LEU CB C 13 40.652 1.174 . 1 . . . . . 89 LEU CB . 50845 1
330 . 1 . 1 89 89 LEU N N 15 121.063 0.129 . 1 . . . . . 89 LEU N . 50845 1
331 . 1 . 1 90 90 ASN H H 1 8.541 0.010 . 1 . . . . . 90 ASN H . 50845 1
332 . 1 . 1 90 90 ASN C C 13 178.610 0.004 . 1 . . . . . 90 ASN C . 50845 1
333 . 1 . 1 90 90 ASN CA C 13 56.177 0.013 . 1 . . . . . 90 ASN CA . 50845 1
334 . 1 . 1 90 90 ASN CB C 13 37.978 0.000 . 1 . . . . . 90 ASN CB . 50845 1
335 . 1 . 1 90 90 ASN N N 15 119.084 0.138 . 1 . . . . . 90 ASN N . 50845 1
336 . 1 . 1 91 91 ARG H H 1 7.840 0.008 . 1 . . . . . 91 ARG H . 50845 1
337 . 1 . 1 91 91 ARG C C 13 178.902 0.000 . 1 . . . . . 91 ARG C . 50845 1
338 . 1 . 1 91 91 ARG CA C 13 59.051 0.000 . 1 . . . . . 91 ARG CA . 50845 1
339 . 1 . 1 91 91 ARG CB C 13 28.258 1.171 . 1 . . . . . 91 ARG CB . 50845 1
340 . 1 . 1 91 91 ARG N N 15 120.063 0.121 . 1 . . . . . 91 ARG N . 50845 1
341 . 1 . 1 92 92 GLN H H 1 7.979 0.008 . 1 . . . . . 92 GLN H . 50845 1
342 . 1 . 1 92 92 GLN C C 13 178.105 0.002 . 1 . . . . . 92 GLN C . 50845 1
343 . 1 . 1 92 92 GLN CA C 13 58.965 0.000 . 1 . . . . . 92 GLN CA . 50845 1
344 . 1 . 1 92 92 GLN CB C 13 27.186 1.186 . 1 . . . . . 92 GLN CB . 50845 1
345 . 1 . 1 92 92 GLN N N 15 120.716 0.137 . 1 . . . . . 92 GLN N . 50845 1
346 . 1 . 1 93 93 GLU H H 1 8.567 0.010 . 1 . . . . . 93 GLU H . 50845 1
347 . 1 . 1 93 93 GLU C C 13 178.144 0.000 . 1 . . . . . 93 GLU C . 50845 1
348 . 1 . 1 93 93 GLU CA C 13 59.682 0.000 . 1 . . . . . 93 GLU CA . 50845 1
349 . 1 . 1 93 93 GLU CB C 13 29.280 0.038 . 1 . . . . . 93 GLU CB . 50845 1
350 . 1 . 1 93 93 GLU N N 15 120.725 0.081 . 1 . . . . . 93 GLU N . 50845 1
351 . 1 . 1 94 94 GLN H H 1 7.720 0.006 . 1 . . . . . 94 GLN H . 50845 1
352 . 1 . 1 94 94 GLN C C 13 178.724 0.000 . 1 . . . . . 94 GLN C . 50845 1
353 . 1 . 1 94 94 GLN CA C 13 58.857 0.000 . 1 . . . . . 94 GLN CA . 50845 1
354 . 1 . 1 94 94 GLN CB C 13 27.178 0.966 . 1 . . . . . 94 GLN CB . 50845 1
355 . 1 . 1 94 94 GLN N N 15 117.480 0.047 . 1 . . . . . 94 GLN N . 50845 1
356 . 1 . 1 95 95 LYS H H 1 7.854 0.012 . 1 . . . . . 95 LYS H . 50845 1
357 . 1 . 1 95 95 LYS C C 13 179.677 0.015 . 1 . . . . . 95 LYS C . 50845 1
358 . 1 . 1 95 95 LYS CA C 13 58.712 0.000 . 1 . . . . . 95 LYS CA . 50845 1
359 . 1 . 1 95 95 LYS CB C 13 30.064 1.242 . 1 . . . . . 95 LYS CB . 50845 1
360 . 1 . 1 95 95 LYS N N 15 119.586 0.162 . 1 . . . . . 95 LYS N . 50845 1
361 . 1 . 1 96 96 ILE H H 1 8.309 0.007 . 1 . . . . . 96 ILE H . 50845 1
362 . 1 . 1 96 96 ILE C C 13 178.140 0.067 . 1 . . . . . 96 ILE C . 50845 1
363 . 1 . 1 96 96 ILE CA C 13 65.254 0.011 . 1 . . . . . 96 ILE CA . 50845 1
364 . 1 . 1 96 96 ILE CB C 13 35.674 1.280 . 1 . . . . . 96 ILE CB . 50845 1
365 . 1 . 1 96 96 ILE N N 15 120.063 0.140 . 1 . . . . . 96 ILE N . 50845 1
366 . 1 . 1 97 97 ASN H H 1 8.418 0.015 . 1 . . . . . 97 ASN H . 50845 1
367 . 1 . 1 97 97 ASN C C 13 178.320 0.000 . 1 . . . . . 97 ASN C . 50845 1
368 . 1 . 1 97 97 ASN CA C 13 56.635 0.007 . 1 . . . . . 97 ASN CA . 50845 1
369 . 1 . 1 97 97 ASN N N 15 118.994 0.147 . 1 . . . . . 97 ASN N . 50845 1
370 . 1 . 1 99 99 LYS H H 1 7.484 0.015 . 1 . . . . . 99 LYS H . 50845 1
371 . 1 . 1 99 99 LYS C C 13 179.236 0.000 . 1 . . . . . 99 LYS C . 50845 1
372 . 1 . 1 99 99 LYS CA C 13 57.731 0.043 . 1 . . . . . 99 LYS CA . 50845 1
373 . 1 . 1 99 99 LYS CB C 13 29.505 1.188 . 1 . . . . . 99 LYS CB . 50845 1
374 . 1 . 1 99 99 LYS N N 15 120.473 0.019 . 1 . . . . . 99 LYS N . 50845 1
375 . 1 . 1 100 100 VAL H H 1 8.400 0.004 . 1 . . . . . 100 VAL H . 50845 1
376 . 1 . 1 100 100 VAL C C 13 179.038 0.052 . 1 . . . . . 100 VAL C . 50845 1
377 . 1 . 1 100 100 VAL CA C 13 66.648 0.037 . 1 . . . . . 100 VAL CA . 50845 1
378 . 1 . 1 100 100 VAL CB C 13 30.880 0.123 . 1 . . . . . 100 VAL CB . 50845 1
379 . 1 . 1 100 100 VAL N N 15 120.272 0.140 . 1 . . . . . 100 VAL N . 50845 1
380 . 1 . 1 101 101 LYS H H 1 8.090 0.007 . 1 . . . . . 101 LYS H . 50845 1
381 . 1 . 1 101 101 LYS C C 13 178.727 0.020 . 1 . . . . . 101 LYS C . 50845 1
382 . 1 . 1 101 101 LYS CA C 13 59.780 0.027 . 1 . . . . . 101 LYS CA . 50845 1
383 . 1 . 1 101 101 LYS CB C 13 30.385 1.168 . 1 . . . . . 101 LYS CB . 50845 1
384 . 1 . 1 101 101 LYS N N 15 122.742 0.031 . 1 . . . . . 101 LYS N . 50845 1
385 . 1 . 1 102 102 GLU H H 1 7.785 0.003 . 1 . . . . . 102 GLU H . 50845 1
386 . 1 . 1 102 102 GLU C C 13 179.154 0.074 . 1 . . . . . 102 GLU C . 50845 1
387 . 1 . 1 102 102 GLU CA C 13 59.155 0.019 . 1 . . . . . 102 GLU CA . 50845 1
388 . 1 . 1 102 102 GLU CB C 13 28.717 1.064 . 1 . . . . . 102 GLU CB . 50845 1
389 . 1 . 1 102 102 GLU N N 15 120.000 0.135 . 1 . . . . . 102 GLU N . 50845 1
390 . 1 . 1 103 103 LEU H H 1 8.287 0.009 . 1 . . . . . 103 LEU H . 50845 1
391 . 1 . 1 103 103 LEU C C 13 179.137 0.000 . 1 . . . . . 103 LEU C . 50845 1
392 . 1 . 1 103 103 LEU CA C 13 57.783 0.042 . 1 . . . . . 103 LEU CA . 50845 1
393 . 1 . 1 103 103 LEU CB C 13 41.841 0.000 . 1 . . . . . 103 LEU CB . 50845 1
394 . 1 . 1 103 103 LEU N N 15 119.582 0.115 . 1 . . . . . 103 LEU N . 50845 1
395 . 1 . 1 104 104 THR H H 1 8.469 0.005 . 1 . . . . . 104 THR H . 50845 1
396 . 1 . 1 104 104 THR C C 13 176.713 0.011 . 1 . . . . . 104 THR C . 50845 1
397 . 1 . 1 104 104 THR CA C 13 67.259 0.097 . 1 . . . . . 104 THR CA . 50845 1
398 . 1 . 1 104 104 THR CB C 13 67.497 1.209 . 1 . . . . . 104 THR CB . 50845 1
399 . 1 . 1 104 104 THR N N 15 114.417 0.031 . 1 . . . . . 104 THR N . 50845 1
400 . 1 . 1 105 105 GLN H H 1 7.622 0.011 . 1 . . . . . 105 GLN H . 50845 1
401 . 1 . 1 105 105 GLN C C 13 178.855 0.012 . 1 . . . . . 105 GLN C . 50845 1
402 . 1 . 1 105 105 GLN CA C 13 58.883 0.017 . 1 . . . . . 105 GLN CA . 50845 1
403 . 1 . 1 105 105 GLN CB C 13 27.717 0.000 . 1 . . . . . 105 GLN CB . 50845 1
404 . 1 . 1 105 105 GLN N N 15 120.339 0.140 . 1 . . . . . 105 GLN N . 50845 1
405 . 1 . 1 106 106 LYS H H 1 7.843 0.009 . 1 . . . . . 106 LYS H . 50845 1
406 . 1 . 1 106 106 LYS C C 13 179.681 0.001 . 1 . . . . . 106 LYS C . 50845 1
407 . 1 . 1 106 106 LYS CA C 13 59.434 0.003 . 1 . . . . . 106 LYS CA . 50845 1
408 . 1 . 1 106 106 LYS CB C 13 31.571 1.166 . 1 . . . . . 106 LYS CB . 50845 1
409 . 1 . 1 106 106 LYS N N 15 120.609 0.137 . 1 . . . . . 106 LYS N . 50845 1
410 . 1 . 1 107 107 ILE H H 1 8.458 0.007 . 1 . . . . . 107 ILE H . 50845 1
411 . 1 . 1 107 107 ILE C C 13 177.369 0.011 . 1 . . . . . 107 ILE C . 50845 1
412 . 1 . 1 107 107 ILE CA C 13 65.475 0.015 . 1 . . . . . 107 ILE CA . 50845 1
413 . 1 . 1 107 107 ILE CB C 13 37.785 0.050 . 1 . . . . . 107 ILE CB . 50845 1
414 . 1 . 1 107 107 ILE N N 15 121.277 0.066 . 1 . . . . . 107 ILE N . 50845 1
415 . 1 . 1 108 108 GLN H H 1 7.846 0.007 . 1 . . . . . 108 GLN H . 50845 1
416 . 1 . 1 108 108 GLN C C 13 178.595 0.003 . 1 . . . . . 108 GLN C . 50845 1
417 . 1 . 1 108 108 GLN CA C 13 58.719 0.000 . 1 . . . . . 108 GLN CA . 50845 1
418 . 1 . 1 108 108 GLN CB C 13 27.591 0.000 . 1 . . . . . 108 GLN CB . 50845 1
419 . 1 . 1 108 108 GLN N N 15 117.277 0.131 . 1 . . . . . 108 GLN N . 50845 1
420 . 1 . 1 109 109 ALA H H 1 7.639 0.005 . 1 . . . . . 109 ALA H . 50845 1
421 . 1 . 1 109 109 ALA C C 13 179.030 0.000 . 1 . . . . . 109 ALA C . 50845 1
422 . 1 . 1 109 109 ALA CA C 13 53.927 0.023 . 1 . . . . . 109 ALA CA . 50845 1
423 . 1 . 1 109 109 ALA CB C 13 16.836 1.184 . 1 . . . . . 109 ALA CB . 50845 1
424 . 1 . 1 109 109 ALA N N 15 119.519 0.033 . 1 . . . . . 109 ALA N . 50845 1
425 . 1 . 1 110 110 ALA H H 1 7.535 0.010 . 1 . . . . . 110 ALA H . 50845 1
426 . 1 . 1 110 110 ALA C C 13 178.548 0.003 . 1 . . . . . 110 ALA C . 50845 1
427 . 1 . 1 110 110 ALA CA C 13 53.080 0.039 . 1 . . . . . 110 ALA CA . 50845 1
428 . 1 . 1 110 110 ALA CB C 13 18.517 0.000 . 1 . . . . . 110 ALA CB . 50845 1
429 . 1 . 1 110 110 ALA N N 15 119.390 0.137 . 1 . . . . . 110 ALA N . 50845 1
430 . 1 . 1 111 111 LEU H H 1 7.487 0.006 . 1 . . . . . 111 LEU H . 50845 1
431 . 1 . 1 111 111 LEU C C 13 176.830 0.000 . 1 . . . . . 111 LEU C . 50845 1
432 . 1 . 1 111 111 LEU CA C 13 54.903 0.000 . 1 . . . . . 111 LEU CA . 50845 1
433 . 1 . 1 111 111 LEU CB C 13 41.683 0.000 . 1 . . . . . 111 LEU CB . 50845 1
434 . 1 . 1 111 111 LEU N N 15 117.225 0.137 . 1 . . . . . 111 LEU N . 50845 1
435 . 1 . 1 112 112 ARG H H 1 7.449 0.010 . 1 . . . . . 112 ARG H . 50845 1
436 . 1 . 1 112 112 ARG C C 13 173.428 0.000 . 1 . . . . . 112 ARG C . 50845 1
437 . 1 . 1 112 112 ARG CA C 13 53.807 0.000 . 1 . . . . . 112 ARG CA . 50845 1
438 . 1 . 1 112 112 ARG CB C 13 29.563 0.000 . 1 . . . . . 112 ARG CB . 50845 1
439 . 1 . 1 112 112 ARG N N 15 120.866 0.133 . 1 . . . . . 112 ARG N . 50845 1
440 . 1 . 1 117 117 GLY H H 1 7.888 0.005 . 1 . . . . . 117 GLY H . 50845 1
441 . 1 . 1 117 117 GLY C C 13 176.837 0.000 . 1 . . . . . 117 GLY C . 50845 1
442 . 1 . 1 117 117 GLY CA C 13 46.780 0.000 . 1 . . . . . 117 GLY CA . 50845 1
443 . 1 . 1 117 117 GLY N N 15 106.870 0.051 . 1 . . . . . 117 GLY N . 50845 1
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