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 51341
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'Assigned Chemical shift'
_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 0.39
_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 PANAV
_Assigned_chem_shift_list.Details
;
PANAV (http://panav.wishartlab.com/) is an efficient chemical shift validation
and re-referencing tool which has been used here to validate the chemical shift
referencing.
According to this standalone application tool, the chemical shifts may deviate
from the reference database shifts as per the following:
CO: -0.33 ppm CA: -1.49 ppm CB: 1.97 ppm N: 0.39 ppm
;
_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
2 '3D HNCO' . . . 51341 1
3 '3D HNCA' . . . 51341 1
4 '3D HNCACB' . . . 51341 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 . . 51341 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 11 11 ILE H H 1 8.525 0.020 . 1 . . . . . 7 ILE H . 51341 1
2 . 1 . 1 11 11 ILE C C 13 177.742 0.3 . 1 . . . . . 7 ILE C . 51341 1
3 . 1 . 1 11 11 ILE CA C 13 64.052 0.3 . 1 . . . . . 7 ILE CA . 51341 1
4 . 1 . 1 11 11 ILE CB C 13 36.812 0.3 . 1 . . . . . 7 ILE CB . 51341 1
5 . 1 . 1 11 11 ILE CG1 C 13 27.520 0.3 . 1 . . . . . 7 ILE CG1 . 51341 1
6 . 1 . 1 11 11 ILE N N 15 117.426 0.3 . 1 . . . . . 7 ILE N . 51341 1
7 . 1 . 1 12 12 ASP H H 1 7.449 0.020 . 1 . . . . . 8 ASP H . 51341 1
8 . 1 . 1 12 12 ASP C C 13 179.001 0.3 . 1 . . . . . 8 ASP C . 51341 1
9 . 1 . 1 12 12 ASP CA C 13 55.291 0.3 . 1 . . . . . 8 ASP CA . 51341 1
10 . 1 . 1 12 12 ASP CB C 13 38.047 0.3 . 1 . . . . . 8 ASP CB . 51341 1
11 . 1 . 1 12 12 ASP N N 15 118.991 0.3 . 1 . . . . . 8 ASP N . 51341 1
12 . 1 . 1 13 13 LEU H H 1 7.699 0.020 . 1 . . . . . 9 LEU H . 51341 1
13 . 1 . 1 13 13 LEU C C 13 176.958 0.3 . 1 . . . . . 9 LEU C . 51341 1
14 . 1 . 1 13 13 LEU CA C 13 55.796 0.3 . 1 . . . . . 9 LEU CA . 51341 1
15 . 1 . 1 13 13 LEU CB C 13 40.069 0.3 . 1 . . . . . 9 LEU CB . 51341 1
16 . 1 . 1 13 13 LEU N N 15 122.345 0.3 . 1 . . . . . 9 LEU N . 51341 1
17 . 1 . 1 14 14 VAL H H 1 7.959 0.020 . 1 . . . . . 10 VAL H . 51341 1
18 . 1 . 1 14 14 VAL C C 13 177.742 0.3 . 1 . . . . . 10 VAL C . 51341 1
19 . 1 . 1 14 14 VAL CA C 13 60.289 0.3 . 1 . . . . . 10 VAL CA . 51341 1
20 . 1 . 1 14 14 VAL CB C 13 31.311 0.3 . 1 . . . . . 10 VAL CB . 51341 1
21 . 1 . 1 14 14 VAL N N 15 122.033 0.3 . 1 . . . . . 10 VAL N . 51341 1
22 . 1 . 1 15 15 LYS H H 1 8.611 0.020 . 1 . . . . . 11 LYS H . 51341 1
23 . 1 . 1 15 15 LYS C C 13 178.514 0.3 . 1 . . . . . 11 LYS C . 51341 1
24 . 1 . 1 15 15 LYS CA C 13 58.492 0.3 . 1 . . . . . 11 LYS CA . 51341 1
25 . 1 . 1 15 15 LYS CB C 13 30.577 0.3 . 1 . . . . . 11 LYS CB . 51341 1
26 . 1 . 1 15 15 LYS N N 15 120.855 0.3 . 1 . . . . . 11 LYS N . 51341 1
27 . 1 . 1 16 16 GLU H H 1 7.924 0.020 . 1 . . . . . 12 GLU H . 51341 1
28 . 1 . 1 16 16 GLU C C 13 179.882 0.3 . 1 . . . . . 12 GLU C . 51341 1
29 . 1 . 1 16 16 GLU CA C 13 56.751 0.3 . 1 . . . . . 12 GLU CA . 51341 1
30 . 1 . 1 16 16 GLU CB C 13 29.584 0.3 . 1 . . . . . 12 GLU CB . 51341 1
31 . 1 . 1 16 16 GLU N N 15 117.740 0.3 . 1 . . . . . 12 GLU N . 51341 1
32 . 1 . 1 17 17 ALA H H 1 8.559 0.020 . 1 . . . . . 13 ALA H . 51341 1
33 . 1 . 1 17 17 ALA C C 13 180.066 0.3 . 1 . . . . . 13 ALA C . 51341 1
34 . 1 . 1 17 17 ALA CA C 13 52.988 0.3 . 1 . . . . . 13 ALA CA . 51341 1
35 . 1 . 1 17 17 ALA CB C 13 17.153 0.3 . 1 . . . . . 13 ALA CB . 51341 1
36 . 1 . 1 17 17 ALA N N 15 123.289 0.3 . 1 . . . . . 13 ALA N . 51341 1
37 . 1 . 1 18 18 GLY H H 1 8.293 0.020 . 1 . . . . . 14 GLY H . 51341 1
38 . 1 . 1 18 18 GLY C C 13 172.303 0.3 . 1 . . . . . 14 GLY C . 51341 1
39 . 1 . 1 18 18 GLY CA C 13 42.484 0.3 . 1 . . . . . 14 GLY CA . 51341 1
40 . 1 . 1 18 18 GLY N N 15 102.807 0.3 . 1 . . . . . 14 GLY N . 51341 1
41 . 1 . 1 19 19 LYS H H 1 7.432 0.020 . 1 . . . . . 15 LYS H . 51341 1
42 . 1 . 1 19 19 LYS C C 13 176.781 0.3 . 1 . . . . . 15 LYS C . 51341 1
43 . 1 . 1 19 19 LYS CA C 13 54.729 0.3 . 1 . . . . . 15 LYS CA . 51341 1
44 . 1 . 1 19 19 LYS CB C 13 31.405 0.3 . 1 . . . . . 15 LYS CB . 51341 1
45 . 1 . 1 19 19 LYS N N 15 116.937 0.3 . 1 . . . . . 15 LYS N . 51341 1
46 . 1 . 1 20 20 TYR H H 1 8.138 0.020 . 1 . . . . . 16 TYR H . 51341 1
47 . 1 . 1 20 20 TYR C C 13 177.354 0.3 . 1 . . . . . 16 TYR C . 51341 1
48 . 1 . 1 20 20 TYR CA C 13 55.740 0.3 . 1 . . . . . 16 TYR CA . 51341 1
49 . 1 . 1 20 20 TYR CB C 13 37.542 0.3 . 1 . . . . . 16 TYR CB . 51341 1
50 . 1 . 1 20 20 TYR N N 15 116.838 0.3 . 1 . . . . . 16 TYR N . 51341 1
51 . 1 . 1 21 21 ASN H H 1 9.320 0.020 . 1 . . . . . 17 ASN H . 51341 1
52 . 1 . 1 21 21 ASN C C 13 175.412 0.3 . 1 . . . . . 17 ASN C . 51341 1
53 . 1 . 1 21 21 ASN CA C 13 52.651 0.3 . 1 . . . . . 17 ASN CA . 51341 1
54 . 1 . 1 21 21 ASN CB C 13 37.429 0.3 . 1 . . . . . 17 ASN CB . 51341 1
55 . 1 . 1 21 21 ASN N N 15 118.204 0.3 . 1 . . . . . 17 ASN N . 51341 1
56 . 1 . 1 22 22 SER H H 1 7.698 0.020 . 1 . . . . . 18 SER H . 51341 1
57 . 1 . 1 22 22 SER C C 13 173.958 0.3 . 1 . . . . . 18 SER C . 51341 1
58 . 1 . 1 22 22 SER CA C 13 54.560 0.3 . 1 . . . . . 18 SER CA . 51341 1
59 . 1 . 1 22 22 SER CB C 13 64.951 0.3 . 1 . . . . . 18 SER CB . 51341 1
60 . 1 . 1 22 22 SER N N 15 110.951 0.3 . 1 . . . . . 18 SER N . 51341 1
61 . 1 . 1 23 23 LYS H H 1 8.872 0.020 . 1 . . . . . 19 LYS H . 51341 1
62 . 1 . 1 23 23 LYS C C 13 178.337 0.3 . 1 . . . . . 19 LYS C . 51341 1
63 . 1 . 1 23 23 LYS CA C 13 57.987 0.3 . 1 . . . . . 19 LYS CA . 51341 1
64 . 1 . 1 23 23 LYS CB C 13 30.521 0.3 . 1 . . . . . 19 LYS CB . 51341 1
65 . 1 . 1 23 23 LYS N N 15 122.394 0.3 . 1 . . . . . 19 LYS N . 51341 1
66 . 1 . 1 24 24 ARG H H 1 8.199 0.020 . 1 . . . . . 20 ARG H . 51341 1
67 . 1 . 1 24 24 ARG C C 13 178.330 0.3 . 1 . . . . . 20 ARG C . 51341 1
68 . 1 . 1 24 24 ARG CA C 13 57.088 0.3 . 1 . . . . . 20 ARG CA . 51341 1
69 . 1 . 1 24 24 ARG CB C 13 27.207 0.3 . 1 . . . . . 20 ARG CB . 51341 1
70 . 1 . 1 24 24 ARG N N 15 119.580 0.3 . 1 . . . . . 20 ARG N . 51341 1
71 . 1 . 1 25 25 GLU H H 1 7.572 0.020 . 1 . . . . . 21 GLU H . 51341 1
72 . 1 . 1 25 25 GLU C C 13 179.115 0.3 . 1 . . . . . 21 GLU C . 51341 1
73 . 1 . 1 25 25 GLU CA C 13 58.099 0.3 . 1 . . . . . 21 GLU CA . 51341 1
74 . 1 . 1 25 25 GLU CB C 13 27.881 0.3 . 1 . . . . . 21 GLU CB . 51341 1
75 . 1 . 1 25 25 GLU N N 15 117.395 0.3 . 1 . . . . . 21 GLU N . 51341 1
76 . 1 . 1 26 26 ALA H H 1 6.825 0.020 . 1 . . . . . 22 ALA H . 51341 1
77 . 1 . 1 26 26 ALA C C 13 178.427 0.3 . 1 . . . . . 22 ALA C . 51341 1
78 . 1 . 1 26 26 ALA CA C 13 52.651 0.3 . 1 . . . . . 22 ALA CA . 51341 1
79 . 1 . 1 26 26 ALA CB C 13 16.929 0.3 . 1 . . . . . 22 ALA CB . 51341 1
80 . 1 . 1 26 26 ALA N N 15 121.542 0.3 . 1 . . . . . 22 ALA N . 51341 1
81 . 1 . 1 27 27 GLU H H 1 8.491 0.020 . 1 . . . . . 23 GLU H . 51341 1
82 . 1 . 1 27 27 GLU C C 13 179.973 0.3 . 1 . . . . . 23 GLU C . 51341 1
83 . 1 . 1 27 27 GLU CA C 13 58.324 0.3 . 1 . . . . . 23 GLU CA . 51341 1
84 . 1 . 1 27 27 GLU CB C 13 27.656 0.3 . 1 . . . . . 23 GLU CB . 51341 1
85 . 1 . 1 27 27 GLU N N 15 118.684 0.3 . 1 . . . . . 23 GLU N . 51341 1
86 . 1 . 1 28 28 GLU H H 1 8.369 0.020 . 1 . . . . . 24 GLU H . 51341 1
87 . 1 . 1 28 28 GLU C C 13 178.709 0.3 . 1 . . . . . 24 GLU C . 51341 1
88 . 1 . 1 28 28 GLU CA C 13 57.088 0.3 . 1 . . . . . 24 GLU CA . 51341 1
89 . 1 . 1 28 28 GLU CB C 13 26.982 0.3 . 1 . . . . . 24 GLU CB . 51341 1
90 . 1 . 1 28 28 GLU N N 15 119.289 0.3 . 1 . . . . . 24 GLU N . 51341 1
91 . 1 . 1 29 29 ALA H H 1 7.398 0.020 . 1 . . . . . 25 ALA H . 51341 1
92 . 1 . 1 29 29 ALA C C 13 179.782 0.3 . 1 . . . . . 25 ALA C . 51341 1
93 . 1 . 1 29 29 ALA CA C 13 53.549 0.3 . 1 . . . . . 25 ALA CA . 51341 1
94 . 1 . 1 29 29 ALA CB C 13 15.918 0.3 . 1 . . . . . 25 ALA CB . 51341 1
95 . 1 . 1 29 29 ALA N N 15 123.840 0.3 . 1 . . . . . 25 ALA N . 51341 1
96 . 1 . 1 30 30 ILE H H 1 7.721 0.020 . 1 . . . . . 26 ILE H . 51341 1
97 . 1 . 1 30 30 ILE C C 13 179.109 0.3 . 1 . . . . . 26 ILE C . 51341 1
98 . 1 . 1 30 30 ILE CA C 13 63.435 0.3 . 1 . . . . . 26 ILE CA . 51341 1
99 . 1 . 1 30 30 ILE CB C 13 37.092 0.3 . 1 . . . . . 26 ILE CB . 51341 1
100 . 1 . 1 30 30 ILE N N 15 116.899 0.3 . 1 . . . . . 26 ILE N . 51341 1
101 . 1 . 1 31 31 SER H H 1 8.219 0.020 . 1 . . . . . 27 SER H . 51341 1
102 . 1 . 1 31 31 SER C C 13 175.132 0.3 . 1 . . . . . 27 SER C . 51341 1
103 . 1 . 1 31 31 SER CA C 13 59.391 0.3 . 1 . . . . . 27 SER CA . 51341 1
104 . 1 . 1 31 31 SER CB C 13 60.851 0.3 . 1 . . . . . 27 SER CB . 51341 1
105 . 1 . 1 31 31 SER N N 15 116.115 0.3 . 1 . . . . . 27 SER N . 51341 1
106 . 1 . 1 32 32 ALA H H 1 8.424 0.020 . 1 . . . . . 28 ALA H . 51341 1
107 . 1 . 1 32 32 ALA C C 13 178.711 0.3 . 1 . . . . . 28 ALA C . 51341 1
108 . 1 . 1 32 32 ALA CA C 13 54.223 0.3 . 1 . . . . . 28 ALA CA . 51341 1
109 . 1 . 1 32 32 ALA CB C 13 16.648 0.3 . 1 . . . . . 28 ALA CB . 51341 1
110 . 1 . 1 32 32 ALA N N 15 122.746 0.3 . 1 . . . . . 28 ALA N . 51341 1
111 . 1 . 1 33 33 PHE H H 1 8.124 0.020 . 1 . . . . . 29 PHE H . 51341 1
112 . 1 . 1 33 33 PHE C C 13 176.958 0.3 . 1 . . . . . 29 PHE C . 51341 1
113 . 1 . 1 33 33 PHE CA C 13 62.311 0.3 . 1 . . . . . 29 PHE CA . 51341 1
114 . 1 . 1 33 33 PHE CB C 13 38.216 0.3 . 1 . . . . . 29 PHE CB . 51341 1
115 . 1 . 1 33 33 PHE N N 15 116.024 0.3 . 1 . . . . . 29 PHE N . 51341 1
116 . 1 . 1 34 34 THR H H 1 7.938 0.020 . 1 . . . . . 30 THR H . 51341 1
117 . 1 . 1 34 34 THR C C 13 176.822 0.3 . 1 . . . . . 30 THR C . 51341 1
118 . 1 . 1 34 34 THR CA C 13 61.581 0.3 . 1 . . . . . 30 THR CA . 51341 1
119 . 1 . 1 34 34 THR CB C 13 64.783 0.3 . 1 . . . . . 30 THR CB . 51341 1
120 . 1 . 1 34 34 THR N N 15 107.378 0.3 . 1 . . . . . 30 THR N . 51341 1
121 . 1 . 1 35 35 LEU H H 1 8.021 0.020 . 1 . . . . . 31 LEU H . 51341 1
122 . 1 . 1 35 35 LEU C C 13 180.564 0.3 . 1 . . . . . 31 LEU C . 51341 1
123 . 1 . 1 35 35 LEU CA C 13 57.809 0.3 . 1 . . . . . 31 LEU CA . 51341 1
124 . 1 . 1 35 35 LEU CB C 13 43.772 0.3 . 1 . . . . . 31 LEU CB . 51341 1
125 . 1 . 1 35 35 LEU N N 15 122.816 0.3 . 1 . . . . . 31 LEU N . 51341 1
126 . 1 . 1 36 36 ALA H H 1 7.898 0.020 . 1 . . . . . 32 ALA H . 51341 1
127 . 1 . 1 36 36 ALA C C 13 179.398 0.3 . 1 . . . . . 32 ALA C . 51341 1
128 . 1 . 1 36 36 ALA CA C 13 55.796 0.3 . 1 . . . . . 32 ALA CA . 51341 1
129 . 1 . 1 36 36 ALA CB C 13 17.140 0.3 . 1 . . . . . 32 ALA CB . 51341 1
130 . 1 . 1 36 36 ALA N N 15 124.066 0.3 . 1 . . . . . 32 ALA N . 51341 1
131 . 1 . 1 37 37 VAL H H 1 7.907 0.020 . 1 . . . . . 33 VAL H . 51341 1
132 . 1 . 1 37 37 VAL C C 13 178.617 0.3 . 1 . . . . . 33 VAL C . 51341 1
133 . 1 . 1 37 37 VAL CA C 13 65.064 0.3 . 1 . . . . . 33 VAL CA . 51341 1
134 . 1 . 1 37 37 VAL CB C 13 28.387 0.3 . 1 . . . . . 33 VAL CB . 51341 1
135 . 1 . 1 37 37 VAL N N 15 117.644 0.3 . 1 . . . . . 33 VAL N . 51341 1
136 . 1 . 1 38 38 GLU H H 1 8.176 0.020 . 1 . . . . . 34 GLU H . 51341 1
137 . 1 . 1 38 38 GLU C C 13 178.516 0.3 . 1 . . . . . 34 GLU C . 51341 1
138 . 1 . 1 38 38 GLU CA C 13 55.347 0.3 . 1 . . . . . 34 GLU CA . 51341 1
139 . 1 . 1 38 38 GLU CB C 13 27.488 0.3 . 1 . . . . . 34 GLU CB . 51341 1
140 . 1 . 1 38 38 GLU N N 15 116.911 0.3 . 1 . . . . . 34 GLU N . 51341 1
141 . 1 . 1 39 39 THR H H 1 8.471 0.020 . 1 . . . . . 35 THR H . 51341 1
142 . 1 . 1 39 39 THR C C 13 176.669 0.3 . 1 . . . . . 35 THR C . 51341 1
143 . 1 . 1 39 39 THR CA C 13 64.895 0.3 . 1 . . . . . 35 THR CA . 51341 1
144 . 1 . 1 39 39 THR CB C 13 66.580 0.3 . 1 . . . . . 35 THR CB . 51341 1
145 . 1 . 1 39 39 THR N N 15 116.582 0.3 . 1 . . . . . 35 THR N . 51341 1
146 . 1 . 1 40 40 ALA H H 1 8.406 0.020 . 1 . . . . . 36 ALA H . 51341 1
147 . 1 . 1 40 40 ALA C C 13 179.686 0.3 . 1 . . . . . 36 ALA C . 51341 1
148 . 1 . 1 40 40 ALA CA C 13 53.957 0.3 . 1 . . . . . 36 ALA CA . 51341 1
149 . 1 . 1 40 40 ALA CB C 13 16.592 0.3 . 1 . . . . . 36 ALA CB . 51341 1
150 . 1 . 1 40 40 ALA N N 15 125.275 0.3 . 1 . . . . . 36 ALA N . 51341 1
151 . 1 . 1 41 41 LEU H H 1 8.415 0.020 . 1 . . . . . 37 LEU H . 51341 1
152 . 1 . 1 41 41 LEU C C 13 181.726 0.3 . 1 . . . . . 37 LEU C . 51341 1
153 . 1 . 1 41 41 LEU CA C 13 52.875 0.3 . 1 . . . . . 37 LEU CA . 51341 1
154 . 1 . 1 41 41 LEU CB C 13 38.047 0.3 . 1 . . . . . 37 LEU CB . 51341 1
155 . 1 . 1 41 41 LEU N N 15 116.158 0.3 . 1 . . . . . 37 LEU N . 51341 1
156 . 1 . 1 42 42 SER H H 1 8.232 0.020 . 1 . . . . . 38 SER H . 51341 1
157 . 1 . 1 42 42 SER C C 13 174.995 0.3 . 1 . . . . . 38 SER C . 51341 1
158 . 1 . 1 42 42 SER CA C 13 59.335 0.3 . 1 . . . . . 38 SER CA . 51341 1
159 . 1 . 1 42 42 SER CB C 13 61.076 0.3 . 1 . . . . . 38 SER CB . 51341 1
160 . 1 . 1 42 42 SER N N 15 117.019 0.3 . 1 . . . . . 38 SER N . 51341 1
161 . 1 . 1 43 43 LYS H H 1 7.244 0.020 . 1 . . . . . 39 LYS H . 51341 1
162 . 1 . 1 43 43 LYS C C 13 176.958 0.3 . 1 . . . . . 39 LYS C . 51341 1
163 . 1 . 1 43 43 LYS CA C 13 53.830 0.3 . 1 . . . . . 39 LYS CA . 51341 1
164 . 1 . 1 43 43 LYS CB C 13 30.802 0.3 . 1 . . . . . 39 LYS CB . 51341 1
165 . 1 . 1 43 43 LYS N N 15 119.394 0.3 . 1 . . . . . 39 LYS N . 51341 1
166 . 1 . 1 44 44 GLY H H 1 7.934 0.020 . 1 . . . . . 40 GLY H . 51341 1
167 . 1 . 1 44 44 GLY C C 13 174.518 0.3 . 1 . . . . . 40 GLY C . 51341 1
168 . 1 . 1 44 44 GLY CA C 13 43.882 0.3 . 1 . . . . . 40 GLY CA . 51341 1
169 . 1 . 1 44 44 GLY N N 15 107.688 0.3 . 1 . . . . . 40 GLY N . 51341 1
170 . 1 . 1 45 45 GLU H H 1 7.776 0.020 . 1 . . . . . 41 GLU H . 51341 1
171 . 1 . 1 45 45 GLU C C 13 174.435 0.3 . 1 . . . . . 41 GLU C . 51341 1
172 . 1 . 1 45 45 GLU CA C 13 52.875 0.3 . 1 . . . . . 41 GLU CA . 51341 1
173 . 1 . 1 45 45 GLU CB C 13 28.724 0.3 . 1 . . . . . 41 GLU CB . 51341 1
174 . 1 . 1 45 45 GLU N N 15 120.317 0.3 . 1 . . . . . 41 GLU N . 51341 1
175 . 1 . 1 46 46 SER H H 1 8.195 0.020 . 1 . . . . . 42 SER H . 51341 1
176 . 1 . 1 46 46 SER C C 13 173.759 0.3 . 1 . . . . . 42 SER C . 51341 1
177 . 1 . 1 46 46 SER CA C 13 55.178 0.3 . 1 . . . . . 42 SER CA . 51341 1
178 . 1 . 1 46 46 SER CB C 13 63.772 0.3 . 1 . . . . . 42 SER CB . 51341 1
179 . 1 . 1 46 46 SER N N 15 113.593 0.3 . 1 . . . . . 42 SER N . 51341 1
180 . 1 . 1 47 47 VAL H H 1 8.764 0.020 . 1 . . . . . 43 VAL H . 51341 1
181 . 1 . 1 47 47 VAL C C 13 173.952 0.3 . 1 . . . . . 43 VAL C . 51341 1
182 . 1 . 1 47 47 VAL CA C 13 58.998 0.3 . 1 . . . . . 43 VAL CA . 51341 1
183 . 1 . 1 47 47 VAL CB C 13 34.340 0.3 . 1 . . . . . 43 VAL CB . 51341 1
184 . 1 . 1 47 47 VAL N N 15 119.697 0.3 . 1 . . . . . 43 VAL N . 51341 1
185 . 1 . 1 48 48 GLU H H 1 8.942 0.020 . 1 . . . . . 44 GLU H . 51341 1
186 . 1 . 1 48 48 GLU C C 13 174.447 0.3 . 1 . . . . . 44 GLU C . 51341 1
187 . 1 . 1 48 48 GLU CA C 13 53.662 0.3 . 1 . . . . . 44 GLU CA . 51341 1
188 . 1 . 1 48 48 GLU CB C 13 29.341 0.3 . 1 . . . . . 44 GLU CB . 51341 1
189 . 1 . 1 48 48 GLU N N 15 129.043 0.3 . 1 . . . . . 44 GLU N . 51341 1
190 . 1 . 1 49 49 LEU H H 1 8.770 0.020 . 1 . . . . . 45 LEU H . 51341 1
191 . 1 . 1 49 49 LEU C C 13 176.665 0.3 . 1 . . . . . 45 LEU C . 51341 1
192 . 1 . 1 49 49 LEU CA C 13 51.415 0.3 . 1 . . . . . 45 LEU CA . 51341 1
193 . 1 . 1 49 49 LEU CB C 13 40.462 0.3 . 1 . . . . . 45 LEU CB . 51341 1
194 . 1 . 1 49 49 LEU N N 15 129.859 0.3 . 1 . . . . . 45 LEU N . 51341 1
195 . 1 . 1 50 50 ILE H H 1 8.818 0.020 . 1 . . . . . 46 ILE H . 51341 1
196 . 1 . 1 50 50 ILE C C 13 177.649 0.3 . 1 . . . . . 46 ILE C . 51341 1
197 . 1 . 1 50 50 ILE CA C 13 61.918 0.3 . 1 . . . . . 46 ILE CA . 51341 1
198 . 1 . 1 50 50 ILE CB C 13 40.013 0.3 . 1 . . . . . 46 ILE CB . 51341 1
199 . 1 . 1 50 50 ILE N N 15 126.191 0.3 . 1 . . . . . 46 ILE N . 51341 1
200 . 1 . 1 51 51 GLY H H 1 9.044 0.020 . 1 . . . . . 47 GLY H . 51341 1
201 . 1 . 1 51 51 GLY C C 13 176.864 0.3 . 1 . . . . . 47 GLY C . 51341 1
202 . 1 . 1 51 51 GLY CA C 13 44.938 0.3 . 1 . . . . . 47 GLY CA . 51341 1
203 . 1 . 1 51 51 GLY N N 15 118.611 0.3 . 1 . . . . . 47 GLY N . 51341 1
204 . 1 . 1 52 52 PHE H H 1 8.164 0.020 . 1 . . . . . 48 PHE H . 51341 1
205 . 1 . 1 52 52 PHE C C 13 175.406 0.3 . 1 . . . . . 48 PHE C . 51341 1
206 . 1 . 1 52 52 PHE CA C 13 53.693 0.3 . 1 . . . . . 48 PHE CA . 51341 1
207 . 1 . 1 52 52 PHE CB C 13 38.946 0.3 . 1 . . . . . 48 PHE CB . 51341 1
208 . 1 . 1 52 52 PHE N N 15 123.248 0.3 . 1 . . . . . 48 PHE N . 51341 1
209 . 1 . 1 53 53 GLY H H 1 8.491 0.020 . 1 . . . . . 49 GLY H . 51341 1
210 . 1 . 1 53 53 GLY C C 13 170.257 0.3 . 1 . . . . . 49 GLY C . 51341 1
211 . 1 . 1 53 53 GLY CA C 13 43.664 0.3 . 1 . . . . . 49 GLY CA . 51341 1
212 . 1 . 1 53 53 GLY N N 15 105.466 0.3 . 1 . . . . . 49 GLY N . 51341 1
213 . 1 . 1 54 54 LYS H H 1 7.558 0.020 . 1 . . . . . 50 LYS H . 51341 1
214 . 1 . 1 54 54 LYS C C 13 175.407 0.3 . 1 . . . . . 50 LYS C . 51341 1
215 . 1 . 1 54 54 LYS CA C 13 53.568 0.3 . 1 . . . . . 50 LYS CA . 51341 1
216 . 1 . 1 54 54 LYS CB C 13 31.221 0.3 . 1 . . . . . 50 LYS CB . 51341 1
217 . 1 . 1 54 54 LYS N N 15 119.230 0.3 . 1 . . . . . 50 LYS N . 51341 1
218 . 1 . 1 55 55 PHE H H 1 9.322 0.020 . 1 . . . . . 51 PHE H . 51341 1
219 . 1 . 1 55 55 PHE C C 13 174.429 0.3 . 1 . . . . . 51 PHE C . 51341 1
220 . 1 . 1 55 55 PHE CA C 13 56.433 0.3 . 1 . . . . . 51 PHE CA . 51341 1
221 . 1 . 1 55 55 PHE CB C 13 41.938 0.3 . 1 . . . . . 51 PHE CB . 51341 1
222 . 1 . 1 55 55 PHE N N 15 123.977 0.3 . 1 . . . . . 51 PHE N . 51341 1
223 . 1 . 1 56 56 GLU H H 1 9.199 0.020 . 1 . . . . . 52 GLU H . 51341 1
224 . 1 . 1 56 56 GLU C C 13 173.954 0.3 . 1 . . . . . 52 GLU C . 51341 1
225 . 1 . 1 56 56 GLU CA C 13 52.816 0.3 . 1 . . . . . 52 GLU CA . 51341 1
226 . 1 . 1 56 56 GLU CB C 13 31.385 0.3 . 1 . . . . . 52 GLU CB . 51341 1
227 . 1 . 1 56 56 GLU N N 15 119.980 0.3 . 1 . . . . . 52 GLU N . 51341 1
228 . 1 . 1 57 57 THR H H 1 8.261 0.020 . 1 . . . . . 53 THR H . 51341 1
229 . 1 . 1 57 57 THR C C 13 173.855 0.3 . 1 . . . . . 53 THR C . 51341 1
230 . 1 . 1 57 57 THR CA C 13 58.297 0.3 . 1 . . . . . 53 THR CA . 51341 1
231 . 1 . 1 57 57 THR CB C 13 69.040 0.3 . 1 . . . . . 53 THR CB . 51341 1
232 . 1 . 1 57 57 THR N N 15 110.591 0.3 . 1 . . . . . 53 THR N . 51341 1
233 . 1 . 1 58 58 ALA H H 1 8.845 0.020 . 1 . . . . . 54 ALA H . 51341 1
234 . 1 . 1 58 58 ALA C C 13 175.993 0.3 . 1 . . . . . 54 ALA C . 51341 1
235 . 1 . 1 58 58 ALA CA C 13 48.596 0.3 . 1 . . . . . 54 ALA CA . 51341 1
236 . 1 . 1 58 58 ALA CB C 13 20.259 0.3 . 1 . . . . . 54 ALA CB . 51341 1
237 . 1 . 1 58 58 ALA N N 15 124.771 0.3 . 1 . . . . . 54 ALA N . 51341 1
238 . 1 . 1 59 59 GLU H H 1 8.517 0.020 . 1 . . . . . 55 GLU H . 51341 1
239 . 1 . 1 59 59 GLU C C 13 176.378 0.3 . 1 . . . . . 55 GLU C . 51341 1
240 . 1 . 1 59 59 GLU CA C 13 53.912 0.3 . 1 . . . . . 55 GLU CA . 51341 1
241 . 1 . 1 59 59 GLU CB C 13 28.809 0.3 . 1 . . . . . 55 GLU CB . 51341 1
242 . 1 . 1 59 59 GLU N N 15 120.361 0.3 . 1 . . . . . 55 GLU N . 51341 1
243 . 1 . 1 60 60 GLN H H 1 8.957 0.020 . 1 . . . . . 56 GLN H . 51341 1
244 . 1 . 1 60 60 GLN C C 13 175.407 0.3 . 1 . . . . . 56 GLN C . 51341 1
245 . 1 . 1 60 60 GLN CA C 13 55.021 0.3 . 1 . . . . . 56 GLN CA . 51341 1
246 . 1 . 1 60 60 GLN CB C 13 28.535 0.3 . 1 . . . . . 56 GLN CB . 51341 1
247 . 1 . 1 60 60 GLN N N 15 125.626 0.3 . 1 . . . . . 56 GLN N . 51341 1
248 . 1 . 1 61 61 LYS H H 1 8.574 0.020 . 1 . . . . . 57 LYS H . 51341 1
249 . 1 . 1 61 61 LYS C C 13 177.842 0.3 . 1 . . . . . 57 LYS C . 51341 1
250 . 1 . 1 61 61 LYS CA C 13 53.967 0.3 . 1 . . . . . 57 LYS CA . 51341 1
251 . 1 . 1 61 61 LYS CB C 13 30.947 0.3 . 1 . . . . . 57 LYS CB . 51341 1
252 . 1 . 1 61 61 LYS N N 15 126.035 0.3 . 1 . . . . . 57 LYS N . 51341 1
253 . 1 . 1 62 62 GLY H H 1 8.899 0.020 . 1 . . . . . 58 GLY H . 51341 1
254 . 1 . 1 62 62 GLY C C 13 173.857 0.3 . 1 . . . . . 58 GLY C . 51341 1
255 . 1 . 1 62 62 GLY CA C 13 43.224 0.3 . 1 . . . . . 58 GLY CA . 51341 1
256 . 1 . 1 62 62 GLY N N 15 111.518 0.3 . 1 . . . . . 58 GLY N . 51341 1
257 . 1 . 1 63 63 LYS H H 1 8.228 0.020 . 1 . . . . . 59 LYS H . 51341 1
258 . 1 . 1 63 63 LYS C C 13 176.379 0.3 . 1 . . . . . 59 LYS C . 51341 1
259 . 1 . 1 63 63 LYS CA C 13 53.857 0.3 . 1 . . . . . 59 LYS CA . 51341 1
260 . 1 . 1 63 63 LYS CB C 13 31.879 0.3 . 1 . . . . . 59 LYS CB . 51341 1
261 . 1 . 1 63 63 LYS N N 15 120.741 0.3 . 1 . . . . . 59 LYS N . 51341 1
262 . 1 . 1 64 64 GLU H H 1 8.452 0.020 . 1 . . . . . 60 GLU H . 51341 1
263 . 1 . 1 64 64 GLU C C 13 176.715 0.3 . 1 . . . . . 60 GLU C . 51341 1
264 . 1 . 1 64 64 GLU CA C 13 54.844 0.3 . 1 . . . . . 60 GLU CA . 51341 1
265 . 1 . 1 64 64 GLU CB C 13 28.645 0.3 . 1 . . . . . 60 GLU CB . 51341 1
266 . 1 . 1 64 64 GLU N N 15 121.795 0.3 . 1 . . . . . 60 GLU N . 51341 1
267 . 1 . 1 65 65 GLY H H 1 8.220 0.020 . 1 . . . . . 61 GLY H . 51341 1
268 . 1 . 1 65 65 GLY C C 13 173.082 0.3 . 1 . . . . . 61 GLY C . 51341 1
269 . 1 . 1 65 65 GLY CA C 13 43.005 0.3 . 1 . . . . . 61 GLY CA . 51341 1
270 . 1 . 1 65 65 GLY N N 15 110.486 0.3 . 1 . . . . . 61 GLY N . 51341 1
271 . 1 . 1 66 66 LYS H H 1 8.145 0.020 . 1 . . . . . 62 LYS H . 51341 1
272 . 1 . 1 66 66 LYS C C 13 176.864 0.3 . 1 . . . . . 62 LYS C . 51341 1
273 . 1 . 1 66 66 LYS CA C 13 54.022 0.3 . 1 . . . . . 62 LYS CA . 51341 1
274 . 1 . 1 66 66 LYS CB C 13 31.659 0.3 . 1 . . . . . 62 LYS CB . 51341 1
275 . 1 . 1 66 66 LYS N N 15 120.423 0.3 . 1 . . . . . 62 LYS N . 51341 1
276 . 1 . 1 67 67 VAL H H 1 8.341 0.020 . 1 . . . . . 63 VAL H . 51341 1
277 . 1 . 1 67 67 VAL C C 13 176.096 0.3 . 1 . . . . . 63 VAL C . 51341 1
278 . 1 . 1 67 67 VAL CA C 13 60.229 0.3 . 1 . . . . . 63 VAL CA . 51341 1
279 . 1 . 1 67 67 VAL CB C 13 30.701 0.3 . 1 . . . . . 63 VAL CB . 51341 1
280 . 1 . 1 67 67 VAL N N 15 123.346 0.3 . 1 . . . . . 63 VAL N . 51341 1
281 . 1 . 1 68 68 ALA H H 1 8.451 0.3 . 1 . . . . . 64 ALA H . 51341 1
282 . 1 . 1 68 68 ALA C C 13 178.429 0.3 . 1 . . . . . 64 ALA C . 51341 1
283 . 1 . 1 68 68 ALA CA C 13 50.898 0.3 . 1 . . . . . 64 ALA CA . 51341 1
284 . 1 . 1 68 68 ALA CB C 13 17.187 0.3 . 1 . . . . . 64 ALA CB . 51341 1
285 . 1 . 1 68 68 ALA N N 15 128.719 0.3 . 1 . . . . . 64 ALA N . 51341 1
286 . 1 . 1 69 69 GLY H H 1 8.398 0.020 . 1 . . . . . 65 GLY H . 51341 1
287 . 1 . 1 69 69 GLY C C 13 174.561 0.3 . 1 . . . . . 65 GLY C . 51341 1
288 . 1 . 1 69 69 GLY CA C 13 43.497 0.3 . 1 . . . . . 65 GLY CA . 51341 1
289 . 1 . 1 69 69 GLY N N 15 108.919 0.3 . 1 . . . . . 65 GLY N . 51341 1
290 . 1 . 1 70 70 SER H H 1 8.018 0.020 . 1 . . . . . 66 SER H . 51341 1
291 . 1 . 1 70 70 SER C C 13 174.051 0.3 . 1 . . . . . 66 SER C . 51341 1
292 . 1 . 1 70 70 SER CA C 13 55.995 0.3 . 1 . . . . . 66 SER CA . 51341 1
293 . 1 . 1 70 70 SER CB C 13 62.463 0.3 . 1 . . . . . 66 SER CB . 51341 1
294 . 1 . 1 70 70 SER N N 15 115.202 0.3 . 1 . . . . . 66 SER N . 51341 1
295 . 1 . 1 71 71 ASP H H 1 8.342 0.020 . 1 . . . . . 67 ASP H . 51341 1
296 . 1 . 1 71 71 ASP C C 13 176.525 0.3 . 1 . . . . . 67 ASP C . 51341 1
297 . 1 . 1 71 71 ASP CA C 13 52.323 0.3 . 1 . . . . . 67 ASP CA . 51341 1
298 . 1 . 1 71 71 ASP CB C 13 39.114 0.3 . 1 . . . . . 67 ASP CB . 51341 1
299 . 1 . 1 71 71 ASP N N 15 121.361 0.3 . 1 . . . . . 67 ASP N . 51341 1
300 . 1 . 1 72 72 LYS H H 1 8.129 0.020 . 1 . . . . . 68 LYS H . 51341 1
301 . 1 . 1 72 72 LYS C C 13 176.575 0.3 . 1 . . . . . 68 LYS C . 51341 1
302 . 1 . 1 72 72 LYS CA C 13 54.241 0.3 . 1 . . . . . 68 LYS CA . 51341 1
303 . 1 . 1 72 72 LYS CB C 13 31.056 0.3 . 1 . . . . . 68 LYS CB . 51341 1
304 . 1 . 1 72 72 LYS N N 15 120.845 0.3 . 1 . . . . . 68 LYS N . 51341 1
305 . 1 . 1 73 73 THR H H 1 8.107 0.020 . 1 . . . . . 69 THR H . 51341 1
306 . 1 . 1 73 73 THR C C 13 174.338 0.3 . 1 . . . . . 69 THR C . 51341 1
307 . 1 . 1 73 73 THR CA C 13 59.558 0.3 . 1 . . . . . 69 THR CA . 51341 1
308 . 1 . 1 73 73 THR CB C 13 68.327 0.3 . 1 . . . . . 69 THR CB . 51341 1
309 . 1 . 1 73 73 THR N N 15 114.333 0.3 . 1 . . . . . 69 THR N . 51341 1
310 . 1 . 1 74 74 TYR H H 1 8.226 0.020 . 1 . . . . . 70 TYR H . 51341 1
311 . 1 . 1 74 74 TYR C C 13 174.729 0.3 . 1 . . . . . 70 TYR C . 51341 1
312 . 1 . 1 74 74 TYR CA C 13 55.173 0.3 . 1 . . . . . 70 TYR CA . 51341 1
313 . 1 . 1 74 74 TYR CB C 13 37.579 0.3 . 1 . . . . . 70 TYR CB . 51341 1
314 . 1 . 1 74 74 TYR N N 15 121.812 0.3 . 1 . . . . . 70 TYR N . 51341 1
315 . 1 . 1 75 75 LYS H H 1 8.240 0.020 . 1 . . . . . 71 LYS H . 51341 1
316 . 1 . 1 75 75 LYS C C 13 176.491 0.3 . 1 . . . . . 71 LYS C . 51341 1
317 . 1 . 1 75 75 LYS CA C 13 53.912 0.3 . 1 . . . . . 71 LYS CA . 51341 1
318 . 1 . 1 75 75 LYS CB C 13 31.824 0.3 . 1 . . . . . 71 LYS CB . 51341 1
319 . 1 . 1 75 75 LYS N N 15 123.045 0.3 . 1 . . . . . 71 LYS N . 51341 1
320 . 1 . 1 76 76 THR H H 1 8.303 0.020 . 1 . . . . . 72 THR H . 51341 1
321 . 1 . 1 76 76 THR C C 13 174.344 0.3 . 1 . . . . . 72 THR C . 51341 1
322 . 1 . 1 76 76 THR CA C 13 59.503 0.3 . 1 . . . . . 72 THR CA . 51341 1
323 . 1 . 1 76 76 THR CB C 13 68.108 0.3 . 1 . . . . . 72 THR CB . 51341 1
324 . 1 . 1 76 76 THR N N 15 116.561 0.3 . 1 . . . . . 72 THR N . 51341 1
325 . 1 . 1 77 77 GLU H H 1 8.437 0.020 . 1 . . . . . 73 GLU H . 51341 1
326 . 1 . 1 77 77 GLU C C 13 175.962 0.3 . 1 . . . . . 73 GLU C . 51341 1
327 . 1 . 1 77 77 GLU CA C 13 56.627 0.3 . 1 . . . . . 73 GLU CA . 51341 1
328 . 1 . 1 77 77 GLU CB C 13 27.329 0.3 . 1 . . . . . 73 GLU CB . 51341 1
329 . 1 . 1 77 77 GLU N N 15 121.799 0.3 . 1 . . . . . 73 GLU N . 51341 1
330 . 1 . 1 78 78 ASP H H 1 8.349 0.020 . 1 . . . . . 74 ASP H . 51341 1
331 . 1 . 1 78 78 ASP C C 13 177.362 0.3 . 1 . . . . . 74 ASP C . 51341 1
332 . 1 . 1 78 78 ASP CA C 13 53.200 0.3 . 1 . . . . . 74 ASP CA . 51341 1
333 . 1 . 1 78 78 ASP CB C 13 39.059 0.3 . 1 . . . . . 74 ASP CB . 51341 1
334 . 1 . 1 78 78 ASP N N 15 120.875 0.3 . 1 . . . . . 74 ASP N . 51341 1
335 . 1 . 1 79 79 LYS H H 1 8.236 0.020 . 1 . . . . . 75 LYS H . 51341 1
336 . 1 . 1 79 79 LYS C C 13 176.466 0.3 . 1 . . . . . 75 LYS C . 51341 1
337 . 1 . 1 79 79 LYS CA C 13 54.077 0.3 . 1 . . . . . 75 LYS CA . 51341 1
338 . 1 . 1 79 79 LYS CB C 13 30.618 0.3 . 1 . . . . . 75 LYS CB . 51341 1
339 . 1 . 1 79 79 LYS N N 15 122.236 0.3 . 1 . . . . . 75 LYS N . 51341 1
340 . 1 . 1 80 80 ARG H H 1 8.010 0.020 . 1 . . . . . 76 ARG H . 51341 1
341 . 1 . 1 80 80 ARG C C 13 174.536 0.3 . 1 . . . . . 76 ARG C . 51341 1
342 . 1 . 1 80 80 ARG CA C 13 55.557 0.3 . 1 . . . . . 76 ARG CA . 51341 1
343 . 1 . 1 80 80 ARG CB C 13 28.645 0.3 . 1 . . . . . 76 ARG CB . 51341 1
344 . 1 . 1 80 80 ARG N N 15 120.069 0.3 . 1 . . . . . 76 ARG N . 51341 1
345 . 1 . 1 81 81 VAL H H 1 7.788 0.020 . 1 . . . . . 77 VAL H . 51341 1
346 . 1 . 1 81 81 VAL C C 13 176.498 0.3 . 1 . . . . . 77 VAL C . 51341 1
347 . 1 . 1 81 81 VAL CA C 13 65.432 0.3 . 1 . . . . . 77 VAL CA . 51341 1
348 . 1 . 1 81 81 VAL N N 15 120.243 0.3 . 1 . . . . . 77 VAL N . 51341 1
349 . 1 . 1 82 82 PRO C C 13 175.561 0.3 . 1 . . . . . 78 PRO C . 51341 1
350 . 1 . 1 82 82 PRO CA C 13 64.929 0.3 . 1 . . . . . 78 PRO CA . 51341 1
351 . 1 . 1 83 83 LYS H H 1 9.071 0.020 . 1 . . . . . 79 LYS H . 51341 1
352 . 1 . 1 83 83 LYS C C 13 173.970 0.3 . 1 . . . . . 79 LYS C . 51341 1
353 . 1 . 1 83 83 LYS CA C 13 53.474 0.3 . 1 . . . . . 79 LYS CA . 51341 1
354 . 1 . 1 83 83 LYS CB C 13 34.948 0.3 . 1 . . . . . 79 LYS CB . 51341 1
355 . 1 . 1 83 83 LYS N N 15 119.870 0.3 . 1 . . . . . 79 LYS N . 51341 1
356 . 1 . 1 84 84 PHE H H 1 8.620 0.020 . 1 . . . . . 80 PHE H . 51341 1
357 . 1 . 1 84 84 PHE C C 13 174.141 0.3 . 1 . . . . . 80 PHE C . 51341 1
358 . 1 . 1 84 84 PHE CA C 13 51.117 0.3 . 1 . . . . . 80 PHE CA . 51341 1
359 . 1 . 1 84 84 PHE CB C 13 39.168 0.3 . 1 . . . . . 80 PHE CB . 51341 1
360 . 1 . 1 84 84 PHE N N 15 121.734 0.3 . 1 . . . . . 80 PHE N . 51341 1
361 . 1 . 1 85 85 LYS H H 1 8.462 0.020 . 1 . . . . . 81 LYS H . 51341 1
362 . 1 . 1 85 85 LYS C C 13 173.545 0.3 . 1 . . . . . 81 LYS C . 51341 1
363 . 1 . 1 85 85 LYS CA C 13 51.561 0.3 . 1 . . . . . 81 LYS CA . 51341 1
364 . 1 . 1 85 85 LYS CB C 13 30.728 0.3 . 1 . . . . . 81 LYS CB . 51341 1
365 . 1 . 1 85 85 LYS N N 15 129.298 0.3 . 1 . . . . . 81 LYS N . 51341 1
366 . 1 . 1 86 86 PRO C C 13 175.473 0.3 . 1 . . . . . 82 PRO C . 51341 1
367 . 1 . 1 86 86 PRO CA C 13 63.633 0.3 . 1 . . . . . 82 PRO CA . 51341 1
368 . 1 . 1 87 87 GLY H H 1 8.102 0.020 . 1 . . . . . 83 GLY H . 51341 1
369 . 1 . 1 87 87 GLY C C 13 174.341 0.3 . 1 . . . . . 83 GLY C . 51341 1
370 . 1 . 1 87 87 GLY CA C 13 44.286 0.3 . 1 . . . . . 83 GLY CA . 51341 1
371 . 1 . 1 87 87 GLY N N 15 111.584 0.3 . 1 . . . . . 83 GLY N . 51341 1
372 . 1 . 1 88 88 LYS H H 1 8.505 0.020 . 1 . . . . . 84 LYS H . 51341 1
373 . 1 . 1 88 88 LYS C C 13 180.156 0.3 . 1 . . . . . 84 LYS C . 51341 1
374 . 1 . 1 88 88 LYS CA C 13 57.968 0.3 . 1 . . . . . 84 LYS CA . 51341 1
375 . 1 . 1 88 88 LYS CB C 13 30.892 0.3 . 1 . . . . . 84 LYS CB . 51341 1
376 . 1 . 1 88 88 LYS N N 15 117.603 0.3 . 1 . . . . . 84 LYS N . 51341 1
377 . 1 . 1 89 89 THR H H 1 8.287 0.020 . 1 . . . . . 85 THR H . 51341 1
378 . 1 . 1 89 89 THR C C 13 176.091 0.3 . 1 . . . . . 85 THR C . 51341 1
379 . 1 . 1 89 89 THR CA C 13 62.682 0.3 . 1 . . . . . 85 THR CA . 51341 1
380 . 1 . 1 89 89 THR CB C 13 66.902 0.3 . 1 . . . . . 85 THR CB . 51341 1
381 . 1 . 1 89 89 THR N N 15 119.572 0.3 . 1 . . . . . 85 THR N . 51341 1
382 . 1 . 1 90 90 LEU H H 1 7.293 0.020 . 1 . . . . . 86 LEU H . 51341 1
383 . 1 . 1 90 90 LEU C C 13 178.079 0.3 . 1 . . . . . 86 LEU C . 51341 1
384 . 1 . 1 90 90 LEU CA C 13 56.543 0.3 . 1 . . . . . 86 LEU CA . 51341 1
385 . 1 . 1 90 90 LEU N N 15 122.327 0.3 . 1 . . . . . 86 LEU N . 51341 1
386 . 1 . 1 91 91 LYS H H 1 8.211 0.020 . 1 . . . . . 87 LYS H . 51341 1
387 . 1 . 1 91 91 LYS C C 13 178.832 0.3 . 1 . . . . . 87 LYS C . 51341 1
388 . 1 . 1 91 91 LYS CA C 13 54.707 0.3 . 1 . . . . . 87 LYS CA . 51341 1
389 . 1 . 1 91 91 LYS CB C 13 31.988 0.3 . 1 . . . . . 87 LYS CB . 51341 1
390 . 1 . 1 91 91 LYS N N 15 114.867 0.3 . 1 . . . . . 87 LYS N . 51341 1
391 . 1 . 1 92 92 GLN H H 1 7.948 0.020 . 1 . . . . . 88 GLN H . 51341 1
392 . 1 . 1 92 92 GLN C C 13 177.716 0.3 . 1 . . . . . 88 GLN C . 51341 1
393 . 1 . 1 92 92 GLN CA C 13 57.086 0.3 . 1 . . . . . 88 GLN CA . 51341 1
394 . 1 . 1 92 92 GLN CB C 13 26.233 0.3 . 1 . . . . . 88 GLN CB . 51341 1
395 . 1 . 1 92 92 GLN N N 15 120.018 0.3 . 1 . . . . . 88 GLN N . 51341 1
396 . 1 . 1 93 93 LYS H H 1 8.255 0.020 . 1 . . . . . 89 LYS H . 51341 1
397 . 1 . 1 93 93 LYS C C 13 179.587 0.3 . 1 . . . . . 89 LYS C . 51341 1
398 . 1 . 1 93 93 LYS CA C 13 54.208 0.3 . 1 . . . . . 89 LYS CA . 51341 1
399 . 1 . 1 93 93 LYS CB C 13 30.563 0.3 . 1 . . . . . 89 LYS CB . 51341 1
400 . 1 . 1 93 93 LYS N N 15 117.335 0.3 . 1 . . . . . 89 LYS N . 51341 1
401 . 1 . 1 94 94 VAL H H 1 7.695 0.020 . 1 . . . . . 90 VAL H . 51341 1
402 . 1 . 1 94 94 VAL C C 13 176.863 0.3 . 1 . . . . . 90 VAL C . 51341 1
403 . 1 . 1 94 94 VAL CA C 13 60.189 0.3 . 1 . . . . . 90 VAL CA . 51341 1
404 . 1 . 1 94 94 VAL CB C 13 34.016 0.3 . 1 . . . . . 90 VAL CB . 51341 1
405 . 1 . 1 94 94 VAL N N 15 116.270 0.3 . 1 . . . . . 90 VAL N . 51341 1
406 . 1 . 1 95 95 GLU H H 1 8.160 0.020 . 1 . . . . . 91 GLU H . 51341 1
407 . 1 . 1 95 95 GLU C C 13 176.775 0.3 . 1 . . . . . 91 GLU C . 51341 1
408 . 1 . 1 95 95 GLU CA C 13 54.374 0.3 . 1 . . . . . 91 GLU CA . 51341 1
409 . 1 . 1 95 95 GLU CB C 13 30.837 0.3 . 1 . . . . . 91 GLU CB . 51341 1
410 . 1 . 1 95 95 GLU N N 15 121.878 0.3 . 1 . . . . . 91 GLU N . 51341 1
411 . 1 . 1 96 96 GLU H H 1 8.137 0.020 . 1 . . . . . 92 GLU H . 51341 1
412 . 1 . 1 96 96 GLU C C 13 177.789 0.3 . 1 . . . . . 92 GLU C . 51341 1
413 . 1 . 1 96 96 GLU CA C 13 60.106 0.3 . 1 . . . . . 92 GLU CA . 51341 1
414 . 1 . 1 96 96 GLU CB C 13 28.426 0.3 . 1 . . . . . 92 GLU CB . 51341 1
415 . 1 . 1 96 96 GLU N N 15 117.101 0.3 . 1 . . . . . 92 GLU N . 51341 1
416 . 1 . 1 97 97 GLY H H 1 7.774 0.020 . 1 . . . . . 93 GLY H . 51341 1
417 . 1 . 1 97 97 GLY C C 13 173.276 0.3 . 1 . . . . . 93 GLY C . 51341 1
418 . 1 . 1 97 97 GLY CA C 13 43.992 0.3 . 1 . . . . . 93 GLY CA . 51341 1
419 . 1 . 1 97 97 GLY N N 15 108.230 0.3 . 1 . . . . . 93 GLY N . 51341 1
420 . 1 . 1 98 98 LYS H H 1 7.624 0.020 . 1 . . . . . 94 LYS H . 51341 1
421 . 1 . 1 98 98 LYS C C 13 180.958 0.3 . 1 . . . . . 94 LYS C . 51341 1
422 . 1 . 1 98 98 LYS CA C 13 55.502 0.3 . 1 . . . . . 94 LYS CA . 51341 1
423 . 1 . 1 98 98 LYS CB C 13 31.769 0.3 . 1 . . . . . 94 LYS CB . 51341 1
424 . 1 . 1 98 98 LYS N N 15 124.568 0.3 . 1 . . . . . 94 LYS N . 51341 1
stop_
save_