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 50142
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name "1H, 15N, CA, CB and C' chemical shift of Nb-SUMO1"
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' . . . 50142 1
2 '3D HNCA' . . . 50142 1
3 '3D HN(CO)CA' . . . 50142 1
4 '3D CBCA(CO)NH' . . . 50142 1
5 '3D HNCACB' . . . 50142 1
6 '3D HNCO' . . . 50142 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 . . 50142 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 19 19 MET C C 13 176.014 0.20 0.971 1 . . . . . 1 MET C . 50142 1
2 . 1 . 1 19 19 MET CA C 13 55.690 0.20 1.000 1 . . . . . 1 MET CA . 50142 1
3 . 1 . 1 19 19 MET CB C 13 32.800 0.20 0.832 1 . . . . . 1 MET CB . 50142 1
4 . 1 . 1 20 20 LEU H H 1 8.187 0.02 0.971 1 . . . . . 2 LEU H . 50142 1
5 . 1 . 1 20 20 LEU CA C 13 55.225 0.20 1.000 1 . . . . . 2 LEU CA . 50142 1
6 . 1 . 1 20 20 LEU CB C 13 42.390 0.20 1.000 1 . . . . . 2 LEU CB . 50142 1
7 . 1 . 1 20 20 LEU N N 15 122.923 0.20 0.971 1 . . . . . 2 LEU N . 50142 1
8 . 1 . 1 21 21 GLN H H 1 8.378 0.02 1.000 1 . . . . . 3 GLN H . 50142 1
9 . 1 . 1 21 21 GLN C C 13 176.066 0.20 1.000 1 . . . . . 3 GLN C . 50142 1
10 . 1 . 1 21 21 GLN CA C 13 55.874 0.20 1.000 1 . . . . . 3 GLN CA . 50142 1
11 . 1 . 1 21 21 GLN CB C 13 29.589 0.20 1.000 1 . . . . . 3 GLN CB . 50142 1
12 . 1 . 1 21 21 GLN N N 15 121.561 0.20 1.000 1 . . . . . 3 GLN N . 50142 1
13 . 1 . 1 22 22 THR H H 1 8.270 0.02 1.000 1 . . . . . 4 THR H . 50142 1
14 . 1 . 1 22 22 THR C C 13 174.719 0.20 1.000 1 . . . . . 4 THR C . 50142 1
15 . 1 . 1 22 22 THR CA C 13 61.799 0.20 1.000 1 . . . . . 4 THR CA . 50142 1
16 . 1 . 1 22 22 THR CB C 13 70.080 0.20 1.000 1 . . . . . 4 THR CB . 50142 1
17 . 1 . 1 22 22 THR N N 15 115.206 0.20 1.000 1 . . . . . 4 THR N . 50142 1
18 . 1 . 1 23 23 GLU H H 1 8.486 0.02 1.000 1 . . . . . 5 GLU H . 50142 1
19 . 1 . 1 23 23 GLU C C 13 176.875 0.20 0.524 1 . . . . . 5 GLU C . 50142 1
20 . 1 . 1 23 23 GLU CA C 13 56.863 0.20 1.000 1 . . . . . 5 GLU CA . 50142 1
21 . 1 . 1 23 23 GLU CB C 13 30.188 0.20 1.000 1 . . . . . 5 GLU CB . 50142 1
22 . 1 . 1 23 23 GLU N N 15 122.529 0.20 1.000 1 . . . . . 5 GLU N . 50142 1
23 . 1 . 1 24 24 GLU H H 1 8.424 0.02 0.524 1 . . . . . 6 GLU H . 50142 1
24 . 1 . 1 24 24 GLU C C 13 175.790 0.20 0.524 1 . . . . . 6 GLU C . 50142 1
25 . 1 . 1 24 24 GLU CA C 13 62.380 0.20 1.000 1 . . . . . 6 GLU CA . 50142 1
26 . 1 . 1 24 24 GLU CB C 13 32.581 0.20 1.000 1 . . . . . 6 GLU CB . 50142 1
27 . 1 . 1 24 24 GLU N N 15 121.541 0.20 0.524 1 . . . . . 6 GLU N . 50142 1
28 . 1 . 1 25 25 ASP H H 1 8.218 0.02 0.524 1 . . . . . 7 ASP H . 50142 1
29 . 1 . 1 25 25 ASP C C 13 176.135 0.20 0.524 1 . . . . . 7 ASP C . 50142 1
30 . 1 . 1 25 25 ASP CA C 13 54.620 0.20 1.000 1 . . . . . 7 ASP CA . 50142 1
31 . 1 . 1 25 25 ASP CB C 13 40.948 0.20 0.862 1 . . . . . 7 ASP CB . 50142 1
32 . 1 . 1 25 25 ASP N N 15 125.420 0.20 0.524 1 . . . . . 7 ASP N . 50142 1
33 . 1 . 1 26 26 LYS H H 1 8.023 0.02 0.524 1 . . . . . 8 LYS H . 50142 1
34 . 1 . 1 26 26 LYS C C 13 175.541 0.20 0.523 1 . . . . . 8 LYS C . 50142 1
35 . 1 . 1 26 26 LYS CA C 13 55.456 0.20 1.000 1 . . . . . 8 LYS CA . 50142 1
36 . 1 . 1 26 26 LYS CB C 13 30.019 0.20 1.000 1 . . . . . 8 LYS CB . 50142 1
37 . 1 . 1 26 26 LYS N N 15 120.940 0.20 0.524 1 . . . . . 8 LYS N . 50142 1
38 . 1 . 1 27 27 LYS H H 1 7.836 0.02 0.523 1 . . . . . 9 LYS H . 50142 1
39 . 1 . 1 27 27 LYS CA C 13 54.300 0.20 0.541 1 . . . . . 9 LYS CA . 50142 1
40 . 1 . 1 27 27 LYS N N 15 109.905 0.20 0.523 1 . . . . . 9 LYS N . 50142 1
41 . 1 . 1 28 28 PRO C C 13 178.788 0.20 1.000 1 . . . . . 10 PRO C . 50142 1
42 . 1 . 1 28 28 PRO CA C 13 65.696 0.20 1.000 1 . . . . . 10 PRO CA . 50142 1
43 . 1 . 1 28 28 PRO CB C 13 32.631 0.20 1.000 1 . . . . . 10 PRO CB . 50142 1
44 . 1 . 1 29 29 SER H H 1 7.912 0.02 1.000 1 . . . . . 11 SER H . 50142 1
45 . 1 . 1 29 29 SER CA C 13 57.281 0.20 1.000 1 . . . . . 11 SER CA . 50142 1
46 . 1 . 1 29 29 SER CB C 13 63.800 0.20 0.118 1 . . . . . 11 SER CB . 50142 1
47 . 1 . 1 29 29 SER N N 15 114.400 0.20 1.000 1 . . . . . 11 SER N . 50142 1
48 . 1 . 1 30 30 GLY H H 1 7.634 0.02 1.000 1 . . . . . 12 GLY H . 50142 1
49 . 1 . 1 30 30 GLY CA C 13 45.200 0.20 0.132 1 . . . . . 12 GLY CA . 50142 1
50 . 1 . 1 30 30 GLY N N 15 115.911 0.20 1.000 1 . . . . . 12 GLY N . 50142 1
51 . 1 . 1 31 31 ASP H H 1 8.299 0.02 1.000 1 . . . . . 13 ASP H . 50142 1
52 . 1 . 1 31 31 ASP C C 13 175.306 0.20 0.524 1 . . . . . 13 ASP C . 50142 1
53 . 1 . 1 31 31 ASP CA C 13 54.539 0.20 0.674 1 . . . . . 13 ASP CA . 50142 1
54 . 1 . 1 31 31 ASP CB C 13 40.900 0.20 1.000 1 . . . . . 13 ASP CB . 50142 1
55 . 1 . 1 31 31 ASP N N 15 120.750 0.20 1.000 1 . . . . . 13 ASP N . 50142 1
56 . 1 . 1 32 32 GLN H H 1 8.752 0.02 0.524 1 . . . . . 14 GLN H . 50142 1
57 . 1 . 1 32 32 GLN C C 13 176.364 0.20 0.524 1 . . . . . 14 GLN C . 50142 1
58 . 1 . 1 32 32 GLN CA C 13 56.095 0.20 1.000 1 . . . . . 14 GLN CA . 50142 1
59 . 1 . 1 32 32 GLN CB C 13 32.789 0.20 1.000 1 . . . . . 14 GLN CB . 50142 1
60 . 1 . 1 32 32 GLN N N 15 124.025 0.20 0.524 1 . . . . . 14 GLN N . 50142 1
61 . 1 . 1 33 33 ALA H H 1 8.211 0.02 0.524 1 . . . . . 15 ALA H . 50142 1
62 . 1 . 1 33 33 ALA C C 13 177.316 0.20 1.000 1 . . . . . 15 ALA C . 50142 1
63 . 1 . 1 33 33 ALA CA C 13 56.352 0.20 1.000 1 . . . . . 15 ALA CA . 50142 1
64 . 1 . 1 33 33 ALA CB C 13 28.999 0.20 1.000 1 . . . . . 15 ALA CB . 50142 1
65 . 1 . 1 33 33 ALA N N 15 123.457 0.20 0.524 1 . . . . . 15 ALA N . 50142 1
66 . 1 . 1 34 34 ALA H H 1 8.240 0.02 1.000 1 . . . . . 16 ALA H . 50142 1
67 . 1 . 1 34 34 ALA C C 13 177.311 0.20 1.000 1 . . . . . 16 ALA C . 50142 1
68 . 1 . 1 34 34 ALA CA C 13 52.653 0.20 1.000 1 . . . . . 16 ALA CA . 50142 1
69 . 1 . 1 34 34 ALA CB C 13 19.436 0.20 1.000 1 . . . . . 16 ALA CB . 50142 1
70 . 1 . 1 34 34 ALA N N 15 123.542 0.20 1.000 1 . . . . . 16 ALA N . 50142 1
71 . 1 . 1 35 35 HIS H H 1 8.227 0.02 1.000 1 . . . . . 17 HIS H . 50142 1
72 . 1 . 1 35 35 HIS C C 13 174.324 0.20 1.000 1 . . . . . 17 HIS C . 50142 1
73 . 1 . 1 35 35 HIS CA C 13 56.409 0.20 1.000 1 . . . . . 17 HIS CA . 50142 1
74 . 1 . 1 35 35 HIS CB C 13 32.698 0.20 1.000 1 . . . . . 17 HIS CB . 50142 1
75 . 1 . 1 35 35 HIS N N 15 118.034 0.20 1.000 1 . . . . . 17 HIS N . 50142 1
76 . 1 . 1 36 36 ILE H H 1 9.265 0.02 1.000 1 . . . . . 18 ILE H . 50142 1
77 . 1 . 1 36 36 ILE C C 13 172.181 0.20 1.000 1 . . . . . 18 ILE C . 50142 1
78 . 1 . 1 36 36 ILE CA C 13 59.483 0.20 1.000 1 . . . . . 18 ILE CA . 50142 1
79 . 1 . 1 36 36 ILE CB C 13 42.302 0.20 1.000 1 . . . . . 18 ILE CB . 50142 1
80 . 1 . 1 36 36 ILE N N 15 117.867 0.20 1.000 1 . . . . . 18 ILE N . 50142 1
81 . 1 . 1 37 37 ASN H H 1 8.786 0.02 1.000 1 . . . . . 19 ASN H . 50142 1
82 . 1 . 1 37 37 ASN C C 13 174.629 0.20 1.000 1 . . . . . 19 ASN C . 50142 1
83 . 1 . 1 37 37 ASN CA C 13 52.130 0.20 1.000 1 . . . . . 19 ASN CA . 50142 1
84 . 1 . 1 37 37 ASN CB C 13 39.920 0.20 1.000 1 . . . . . 19 ASN CB . 50142 1
85 . 1 . 1 37 37 ASN N N 15 123.434 0.20 1.000 1 . . . . . 19 ASN N . 50142 1
86 . 1 . 1 38 38 LEU H H 1 9.114 0.02 1.000 1 . . . . . 20 LEU H . 50142 1
87 . 1 . 1 38 38 LEU C C 13 174.890 0.20 1.000 1 . . . . . 20 LEU C . 50142 1
88 . 1 . 1 38 38 LEU CA C 13 53.139 0.20 1.000 1 . . . . . 20 LEU CA . 50142 1
89 . 1 . 1 38 38 LEU CB C 13 47.220 0.20 1.000 1 . . . . . 20 LEU CB . 50142 1
90 . 1 . 1 38 38 LEU N N 15 123.636 0.20 1.000 1 . . . . . 20 LEU N . 50142 1
91 . 1 . 1 39 39 LYS H H 1 8.341 0.02 1.000 1 . . . . . 21 LYS H . 50142 1
92 . 1 . 1 39 39 LYS C C 13 174.793 0.20 1.000 1 . . . . . 21 LYS C . 50142 1
93 . 1 . 1 39 39 LYS CA C 13 54.299 0.20 1.000 1 . . . . . 21 LYS CA . 50142 1
94 . 1 . 1 39 39 LYS CB C 13 35.487 0.20 1.000 1 . . . . . 21 LYS CB . 50142 1
95 . 1 . 1 39 39 LYS N N 15 121.191 0.20 1.000 1 . . . . . 21 LYS N . 50142 1
96 . 1 . 1 40 40 VAL H H 1 9.217 0.02 1.000 1 . . . . . 22 VAL H . 50142 1
97 . 1 . 1 40 40 VAL C C 13 175.014 0.20 1.000 1 . . . . . 22 VAL C . 50142 1
98 . 1 . 1 40 40 VAL CA C 13 60.650 0.20 1.000 1 . . . . . 22 VAL CA . 50142 1
99 . 1 . 1 40 40 VAL CB C 13 32.752 0.20 1.000 1 . . . . . 22 VAL CB . 50142 1
100 . 1 . 1 40 40 VAL N N 15 124.784 0.20 1.000 1 . . . . . 22 VAL N . 50142 1
101 . 1 . 1 41 41 LYS H H 1 9.160 0.02 1.000 1 . . . . . 23 LYS H . 50142 1
102 . 1 . 1 41 41 LYS C C 13 176.388 0.20 1.000 1 . . . . . 23 LYS C . 50142 1
103 . 1 . 1 41 41 LYS CA C 13 54.743 0.20 1.000 1 . . . . . 23 LYS CA . 50142 1
104 . 1 . 1 41 41 LYS CB C 13 34.452 0.20 1.000 1 . . . . . 23 LYS CB . 50142 1
105 . 1 . 1 41 41 LYS N N 15 128.113 0.20 1.000 1 . . . . . 23 LYS N . 50142 1
106 . 1 . 1 42 42 GLY H H 1 8.626 0.02 1.000 1 . . . . . 24 GLY H . 50142 1
107 . 1 . 1 42 42 GLY CA C 13 44.350 0.20 1.000 1 . . . . . 24 GLY CA . 50142 1
108 . 1 . 1 42 42 GLY N N 15 113.024 0.20 1.000 1 . . . . . 24 GLY N . 50142 1
109 . 1 . 1 43 43 GLN C C 13 176.234 0.20 1.000 1 . . . . . 25 GLN C . 50142 1
110 . 1 . 1 43 43 GLN CA C 13 58.088 0.20 1.000 1 . . . . . 25 GLN CA . 50142 1
111 . 1 . 1 43 43 GLN CB C 13 28.994 0.20 1.000 1 . . . . . 25 GLN CB . 50142 1
112 . 1 . 1 44 44 ASP H H 1 8.377 0.02 1.000 1 . . . . . 26 ASP H . 50142 1
113 . 1 . 1 44 44 ASP C C 13 176.733 0.20 1.000 1 . . . . . 26 ASP C . 50142 1
114 . 1 . 1 44 44 ASP CA C 13 53.587 0.20 1.000 1 . . . . . 26 ASP CA . 50142 1
115 . 1 . 1 44 44 ASP CB C 13 40.108 0.20 1.000 1 . . . . . 26 ASP CB . 50142 1
116 . 1 . 1 44 44 ASP N N 15 117.358 0.20 1.000 1 . . . . . 26 ASP N . 50142 1
117 . 1 . 1 45 45 GLY H H 1 8.057 0.02 1.000 1 . . . . . 27 GLY H . 50142 1
118 . 1 . 1 45 45 GLY C C 13 174.170 0.20 1.000 1 . . . . . 27 GLY C . 50142 1
119 . 1 . 1 45 45 GLY CA C 13 45.227 0.20 1.000 1 . . . . . 27 GLY CA . 50142 1
120 . 1 . 1 45 45 GLY N N 15 107.505 0.20 1.000 1 . . . . . 27 GLY N . 50142 1
121 . 1 . 1 46 46 ASN H H 1 7.976 0.02 1.000 1 . . . . . 28 ASN H . 50142 1
122 . 1 . 1 46 46 ASN C C 13 174.681 0.20 1.000 1 . . . . . 28 ASN C . 50142 1
123 . 1 . 1 46 46 ASN CA C 13 53.894 0.20 1.000 1 . . . . . 28 ASN CA . 50142 1
124 . 1 . 1 46 46 ASN CB C 13 39.112 0.20 1.000 1 . . . . . 28 ASN CB . 50142 1
125 . 1 . 1 46 46 ASN N N 15 119.321 0.20 1.000 1 . . . . . 28 ASN N . 50142 1
126 . 1 . 1 47 47 GLU H H 1 8.658 0.02 1.000 1 . . . . . 29 GLU H . 50142 1
127 . 1 . 1 47 47 GLU C C 13 175.320 0.20 1.000 1 . . . . . 29 GLU C . 50142 1
128 . 1 . 1 47 47 GLU CA C 13 55.074 0.20 1.000 1 . . . . . 29 GLU CA . 50142 1
129 . 1 . 1 47 47 GLU CB C 13 32.681 0.20 1.000 1 . . . . . 29 GLU CB . 50142 1
130 . 1 . 1 47 47 GLU N N 15 122.581 0.20 1.000 1 . . . . . 29 GLU N . 50142 1
131 . 1 . 1 48 48 VAL H H 1 8.763 0.02 1.000 1 . . . . . 30 VAL H . 50142 1
132 . 1 . 1 48 48 VAL C C 13 173.521 0.20 1.000 1 . . . . . 30 VAL C . 50142 1
133 . 1 . 1 48 48 VAL CA C 13 61.060 0.20 1.000 1 . . . . . 30 VAL CA . 50142 1
134 . 1 . 1 48 48 VAL CB C 13 35.033 0.20 1.000 1 . . . . . 30 VAL CB . 50142 1
135 . 1 . 1 48 48 VAL N N 15 122.379 0.20 1.000 1 . . . . . 30 VAL N . 50142 1
136 . 1 . 1 49 49 PHE H H 1 8.560 0.02 1.000 1 . . . . . 31 PHE H . 50142 1
137 . 1 . 1 49 49 PHE C C 13 175.322 0.20 1.000 1 . . . . . 31 PHE C . 50142 1
138 . 1 . 1 49 49 PHE CA C 13 57.465 0.20 1.000 1 . . . . . 31 PHE CA . 50142 1
139 . 1 . 1 49 49 PHE CB C 13 41.153 0.20 1.000 1 . . . . . 31 PHE CB . 50142 1
140 . 1 . 1 49 49 PHE N N 15 124.938 0.20 1.000 1 . . . . . 31 PHE N . 50142 1
141 . 1 . 1 50 50 PHE H H 1 9.222 0.02 1.000 1 . . . . . 32 PHE H . 50142 1
142 . 1 . 1 50 50 PHE C C 13 173.857 0.20 1.000 1 . . . . . 32 PHE C . 50142 1
143 . 1 . 1 50 50 PHE CA C 13 57.256 0.20 1.000 1 . . . . . 32 PHE CA . 50142 1
144 . 1 . 1 50 50 PHE CB C 13 44.593 0.20 1.000 1 . . . . . 32 PHE CB . 50142 1
145 . 1 . 1 50 50 PHE N N 15 119.036 0.20 1.000 1 . . . . . 32 PHE N . 50142 1
146 . 1 . 1 51 51 ARG H H 1 8.693 0.02 1.000 1 . . . . . 33 ARG H . 50142 1
147 . 1 . 1 51 51 ARG C C 13 175.654 0.20 1.000 1 . . . . . 33 ARG C . 50142 1
148 . 1 . 1 51 51 ARG CA C 13 55.413 0.20 1.000 1 . . . . . 33 ARG CA . 50142 1
149 . 1 . 1 51 51 ARG CB C 13 31.875 0.20 1.000 1 . . . . . 33 ARG CB . 50142 1
150 . 1 . 1 51 51 ARG N N 15 124.007 0.20 1.000 1 . . . . . 33 ARG N . 50142 1
151 . 1 . 1 52 52 ILE H H 1 8.885 0.02 1.000 1 . . . . . 34 ILE H . 50142 1
152 . 1 . 1 52 52 ILE C C 13 174.114 0.20 1.000 1 . . . . . 34 ILE C . 50142 1
153 . 1 . 1 52 52 ILE CA C 13 58.906 0.20 1.000 1 . . . . . 34 ILE CA . 50142 1
154 . 1 . 1 52 52 ILE CB C 13 42.842 0.20 1.000 1 . . . . . 34 ILE CB . 50142 1
155 . 1 . 1 52 52 ILE N N 15 121.893 0.20 1.000 1 . . . . . 34 ILE N . 50142 1
156 . 1 . 1 53 53 LYS H H 1 8.480 0.02 1.000 1 . . . . . 35 LYS H . 50142 1
157 . 1 . 1 53 53 LYS CA C 13 57.304 0.20 0.692 1 . . . . . 35 LYS CA . 50142 1
158 . 1 . 1 53 53 LYS CB C 13 32.436 0.20 0.638 1 . . . . . 35 LYS CB . 50142 1
159 . 1 . 1 53 53 LYS N N 15 123.760 0.20 1.000 1 . . . . . 35 LYS N . 50142 1
160 . 1 . 1 54 54 ARG C C 13 174.762 0.20 1.000 1 . . . . . 36 ARG C . 50142 1
161 . 1 . 1 54 54 ARG CA C 13 59.929 0.20 1.000 1 . . . . . 36 ARG CA . 50142 1
162 . 1 . 1 54 54 ARG CB C 13 30.092 0.20 1.000 1 . . . . . 36 ARG CB . 50142 1
163 . 1 . 1 55 55 SER H H 1 7.175 0.02 1.000 1 . . . . . 37 SER H . 50142 1
164 . 1 . 1 55 55 SER C C 13 174.472 0.20 1.000 1 . . . . . 37 SER C . 50142 1
165 . 1 . 1 55 55 SER CA C 13 56.603 0.20 1.000 1 . . . . . 37 SER CA . 50142 1
166 . 1 . 1 55 55 SER CB C 13 64.104 0.20 1.000 1 . . . . . 37 SER CB . 50142 1
167 . 1 . 1 55 55 SER N N 15 105.286 0.20 1.000 1 . . . . . 37 SER N . 50142 1
168 . 1 . 1 56 56 THR H H 1 7.513 0.02 1.000 1 . . . . . 38 THR H . 50142 1
169 . 1 . 1 56 56 THR C C 13 172.327 0.20 1.000 1 . . . . . 38 THR C . 50142 1
170 . 1 . 1 56 56 THR CA C 13 62.966 0.20 1.000 1 . . . . . 38 THR CA . 50142 1
171 . 1 . 1 56 56 THR CB C 13 69.854 0.20 1.000 1 . . . . . 38 THR CB . 50142 1
172 . 1 . 1 56 56 THR N N 15 122.254 0.20 1.000 1 . . . . . 38 THR N . 50142 1
173 . 1 . 1 57 57 GLN H H 1 8.164 0.02 1.000 1 . . . . . 39 GLN H . 50142 1
174 . 1 . 1 57 57 GLN C C 13 178.097 0.20 1.000 1 . . . . . 39 GLN C . 50142 1
175 . 1 . 1 57 57 GLN CA C 13 56.869 0.20 1.000 1 . . . . . 39 GLN CA . 50142 1
176 . 1 . 1 57 57 GLN CB C 13 28.223 0.20 1.000 1 . . . . . 39 GLN CB . 50142 1
177 . 1 . 1 57 57 GLN N N 15 121.597 0.20 1.000 1 . . . . . 39 GLN N . 50142 1
178 . 1 . 1 58 58 LEU H H 1 9.089 0.02 1.000 1 . . . . . 40 LEU H . 50142 1
179 . 1 . 1 58 58 LEU C C 13 177.506 0.20 1.000 1 . . . . . 40 LEU C . 50142 1
180 . 1 . 1 58 58 LEU CA C 13 57.312 0.20 1.000 1 . . . . . 40 LEU CA . 50142 1
181 . 1 . 1 58 58 LEU CB C 13 41.911 0.20 1.000 1 . . . . . 40 LEU CB . 50142 1
182 . 1 . 1 58 58 LEU N N 15 122.512 0.20 1.000 1 . . . . . 40 LEU N . 50142 1
183 . 1 . 1 59 59 LYS H H 1 8.802 0.02 1.000 1 . . . . . 41 LYS H . 50142 1
184 . 1 . 1 59 59 LYS C C 13 176.716 0.20 1.000 1 . . . . . 41 LYS C . 50142 1
185 . 1 . 1 59 59 LYS CA C 13 60.074 0.20 1.000 1 . . . . . 41 LYS CA . 50142 1
186 . 1 . 1 59 59 LYS CB C 13 33.148 0.20 1.000 1 . . . . . 41 LYS CB . 50142 1
187 . 1 . 1 59 59 LYS N N 15 121.130 0.20 1.000 1 . . . . . 41 LYS N . 50142 1
188 . 1 . 1 60 60 LYS H H 1 7.717 0.02 1.000 1 . . . . . 42 LYS H . 50142 1
189 . 1 . 1 60 60 LYS C C 13 179.251 0.20 1.000 1 . . . . . 42 LYS C . 50142 1
190 . 1 . 1 60 60 LYS CA C 13 59.687 0.20 1.000 1 . . . . . 42 LYS CA . 50142 1
191 . 1 . 1 60 60 LYS CB C 13 32.326 0.20 1.000 1 . . . . . 42 LYS CB . 50142 1
192 . 1 . 1 60 60 LYS N N 15 116.275 0.20 1.000 1 . . . . . 42 LYS N . 50142 1
193 . 1 . 1 61 61 LEU H H 1 6.929 0.02 1.000 1 . . . . . 43 LEU H . 50142 1
194 . 1 . 1 61 61 LEU C C 13 177.057 0.20 1.000 1 . . . . . 43 LEU C . 50142 1
195 . 1 . 1 61 61 LEU CA C 13 58.007 0.20 1.000 1 . . . . . 43 LEU CA . 50142 1
196 . 1 . 1 61 61 LEU CB C 13 42.195 0.20 1.000 1 . . . . . 43 LEU CB . 50142 1
197 . 1 . 1 61 61 LEU N N 15 121.473 0.20 1.000 1 . . . . . 43 LEU N . 50142 1
198 . 1 . 1 62 62 MET H H 1 8.363 0.02 1.000 1 . . . . . 44 MET H . 50142 1
199 . 1 . 1 62 62 MET C C 13 178.127 0.20 1.000 1 . . . . . 44 MET C . 50142 1
200 . 1 . 1 62 62 MET CA C 13 59.159 0.20 1.000 1 . . . . . 44 MET CA . 50142 1
201 . 1 . 1 62 62 MET CB C 13 32.485 0.20 1.000 1 . . . . . 44 MET CB . 50142 1
202 . 1 . 1 62 62 MET N N 15 118.937 0.20 1.000 1 . . . . . 44 MET N . 50142 1
203 . 1 . 1 63 63 ASN H H 1 8.647 0.02 1.000 1 . . . . . 45 ASN H . 50142 1
204 . 1 . 1 63 63 ASN C C 13 176.969 0.20 1.000 1 . . . . . 45 ASN C . 50142 1
205 . 1 . 1 63 63 ASN CA C 13 56.551 0.20 1.000 1 . . . . . 45 ASN CA . 50142 1
206 . 1 . 1 63 63 ASN CB C 13 38.282 0.20 1.000 1 . . . . . 45 ASN CB . 50142 1
207 . 1 . 1 63 63 ASN N N 15 117.251 0.20 1.000 1 . . . . . 45 ASN N . 50142 1
208 . 1 . 1 64 64 ALA H H 1 7.566 0.02 1.000 1 . . . . . 46 ALA H . 50142 1
209 . 1 . 1 64 64 ALA CA C 13 55.349 0.20 1.000 1 . . . . . 46 ALA CA . 50142 1
210 . 1 . 1 64 64 ALA CB C 13 18.653 0.20 1.000 1 . . . . . 46 ALA CB . 50142 1
211 . 1 . 1 64 64 ALA N N 15 121.896 0.20 1.000 1 . . . . . 46 ALA N . 50142 1
212 . 1 . 1 65 65 TYR H H 1 8.655 0.02 1.000 1 . . . . . 47 TYR H . 50142 1
213 . 1 . 1 65 65 TYR C C 13 176.854 0.20 1.000 1 . . . . . 47 TYR C . 50142 1
214 . 1 . 1 65 65 TYR CA C 13 63.268 0.20 1.000 1 . . . . . 47 TYR CA . 50142 1
215 . 1 . 1 65 65 TYR CB C 13 38.266 0.20 1.000 1 . . . . . 47 TYR CB . 50142 1
216 . 1 . 1 65 65 TYR N N 15 119.580 0.20 1.000 1 . . . . . 47 TYR N . 50142 1
217 . 1 . 1 66 66 CYS H H 1 8.386 0.02 1.000 1 . . . . . 48 CYS H . 50142 1
218 . 1 . 1 66 66 CYS C C 13 177.169 0.20 1.000 1 . . . . . 48 CYS C . 50142 1
219 . 1 . 1 66 66 CYS CA C 13 64.839 0.20 1.000 1 . . . . . 48 CYS CA . 50142 1
220 . 1 . 1 66 66 CYS CB C 13 26.254 0.20 1.000 1 . . . . . 48 CYS CB . 50142 1
221 . 1 . 1 66 66 CYS N N 15 117.605 0.20 1.000 1 . . . . . 48 CYS N . 50142 1
222 . 1 . 1 67 67 ASP H H 1 8.462 0.02 1.000 1 . . . . . 49 ASP H . 50142 1
223 . 1 . 1 67 67 ASP C C 13 179.110 0.20 1.000 1 . . . . . 49 ASP C . 50142 1
224 . 1 . 1 67 67 ASP CA C 13 57.165 0.20 1.000 1 . . . . . 49 ASP CA . 50142 1
225 . 1 . 1 67 67 ASP CB C 13 40.700 0.20 1.000 1 . . . . . 49 ASP CB . 50142 1
226 . 1 . 1 67 67 ASP N N 15 119.197 0.20 1.000 1 . . . . . 49 ASP N . 50142 1
227 . 1 . 1 68 68 ARG H H 1 7.982 0.02 1.000 1 . . . . . 50 ARG H . 50142 1
228 . 1 . 1 68 68 ARG CA C 13 58.557 0.20 0.730 1 . . . . . 50 ARG CA . 50142 1
229 . 1 . 1 68 68 ARG CB C 13 29.941 0.20 0.462 1 . . . . . 50 ARG CB . 50142 1
230 . 1 . 1 68 68 ARG N N 15 119.955 0.20 1.000 1 . . . . . 50 ARG N . 50142 1
231 . 1 . 1 69 69 GLN H H 1 8.480 0.02 0.754 1 . . . . . 51 GLN H . 50142 1
232 . 1 . 1 69 69 GLN N N 15 123.760 0.20 0.754 1 . . . . . 51 GLN N . 50142 1
233 . 1 . 1 70 70 SER H H 1 8.324 0.02 0.004 1 . . . . . 52 SER H . 50142 1
234 . 1 . 1 70 70 SER C C 13 173.905 0.20 1.000 1 . . . . . 52 SER C . 50142 1
235 . 1 . 1 70 70 SER CA C 13 58.621 0.20 1.000 1 . . . . . 52 SER CA . 50142 1
236 . 1 . 1 70 70 SER CB C 13 61.402 0.20 1.000 1 . . . . . 52 SER CB . 50142 1
237 . 1 . 1 70 70 SER N N 15 109.282 0.20 0.004 1 . . . . . 52 SER N . 50142 1
238 . 1 . 1 71 71 VAL H H 1 7.986 0.02 1.000 1 . . . . . 53 VAL H . 50142 1
239 . 1 . 1 71 71 VAL C C 13 174.680 0.20 1.000 1 . . . . . 53 VAL C . 50142 1
240 . 1 . 1 71 71 VAL CA C 13 58.786 0.20 1.000 1 . . . . . 53 VAL CA . 50142 1
241 . 1 . 1 71 71 VAL CB C 13 35.144 0.20 1.000 1 . . . . . 53 VAL CB . 50142 1
242 . 1 . 1 71 71 VAL N N 15 114.143 0.20 1.000 1 . . . . . 53 VAL N . 50142 1
243 . 1 . 1 72 72 ASP H H 1 8.336 0.02 1.000 1 . . . . . 54 ASP H . 50142 1
244 . 1 . 1 72 72 ASP C C 13 177.399 0.20 1.000 1 . . . . . 54 ASP C . 50142 1
245 . 1 . 1 72 72 ASP CA C 13 54.137 0.20 1.000 1 . . . . . 54 ASP CA . 50142 1
246 . 1 . 1 72 72 ASP CB C 13 42.305 0.20 1.000 1 . . . . . 54 ASP CB . 50142 1
247 . 1 . 1 72 72 ASP N N 15 122.746 0.20 1.000 1 . . . . . 54 ASP N . 50142 1
248 . 1 . 1 73 73 PHE H H 1 9.031 0.02 1.000 1 . . . . . 55 PHE H . 50142 1
249 . 1 . 1 73 73 PHE C C 13 176.552 0.20 1.000 1 . . . . . 55 PHE C . 50142 1
250 . 1 . 1 73 73 PHE CA C 13 61.414 0.20 1.000 1 . . . . . 55 PHE CA . 50142 1
251 . 1 . 1 73 73 PHE CB C 13 40.070 0.20 1.000 1 . . . . . 55 PHE CB . 50142 1
252 . 1 . 1 73 73 PHE N N 15 127.964 0.20 1.000 1 . . . . . 55 PHE N . 50142 1
253 . 1 . 1 74 74 ASN H H 1 8.550 0.02 1.000 1 . . . . . 56 ASN H . 50142 1
254 . 1 . 1 74 74 ASN C C 13 176.070 0.20 1.000 1 . . . . . 56 ASN C . 50142 1
255 . 1 . 1 74 74 ASN CA C 13 54.569 0.20 1.000 1 . . . . . 56 ASN CA . 50142 1
256 . 1 . 1 74 74 ASN CB C 13 38.277 0.20 1.000 1 . . . . . 56 ASN CB . 50142 1
257 . 1 . 1 74 74 ASN N N 15 112.846 0.20 1.000 1 . . . . . 56 ASN N . 50142 1
258 . 1 . 1 75 75 SER H H 1 8.142 0.02 1.000 1 . . . . . 57 SER H . 50142 1
259 . 1 . 1 75 75 SER C C 13 172.266 0.20 1.000 1 . . . . . 57 SER C . 50142 1
260 . 1 . 1 75 75 SER CA C 13 59.105 0.20 1.000 1 . . . . . 57 SER CA . 50142 1
261 . 1 . 1 75 75 SER CB C 13 64.872 0.20 1.000 1 . . . . . 57 SER CB . 50142 1
262 . 1 . 1 75 75 SER N N 15 114.293 0.20 1.000 1 . . . . . 57 SER N . 50142 1
263 . 1 . 1 76 76 ILE H H 1 6.997 0.02 1.000 1 . . . . . 58 ILE H . 50142 1
264 . 1 . 1 76 76 ILE C C 13 173.342 0.20 1.000 1 . . . . . 58 ILE C . 50142 1
265 . 1 . 1 76 76 ILE CA C 13 58.047 0.20 1.000 1 . . . . . 58 ILE CA . 50142 1
266 . 1 . 1 76 76 ILE CB C 13 40.308 0.20 1.000 1 . . . . . 58 ILE CB . 50142 1
267 . 1 . 1 76 76 ILE N N 15 120.194 0.20 1.000 1 . . . . . 58 ILE N . 50142 1
268 . 1 . 1 77 77 ALA H H 1 8.686 0.02 1.000 1 . . . . . 59 ALA H . 50142 1
269 . 1 . 1 77 77 ALA C C 13 174.415 0.20 1.000 1 . . . . . 59 ALA C . 50142 1
270 . 1 . 1 77 77 ALA CA C 13 50.248 0.20 1.000 1 . . . . . 59 ALA CA . 50142 1
271 . 1 . 1 77 77 ALA CB C 13 21.072 0.20 1.000 1 . . . . . 59 ALA CB . 50142 1
272 . 1 . 1 77 77 ALA N N 15 128.515 0.20 1.000 1 . . . . . 59 ALA N . 50142 1
273 . 1 . 1 78 78 PHE H H 1 8.782 0.02 1.000 1 . . . . . 60 PHE H . 50142 1
274 . 1 . 1 78 78 PHE C C 13 174.440 0.20 1.000 1 . . . . . 60 PHE C . 50142 1
275 . 1 . 1 78 78 PHE CA C 13 56.527 0.20 1.000 1 . . . . . 60 PHE CA . 50142 1
276 . 1 . 1 78 78 PHE CB C 13 40.482 0.20 1.000 1 . . . . . 60 PHE CB . 50142 1
277 . 1 . 1 78 78 PHE N N 15 120.013 0.20 1.000 1 . . . . . 60 PHE N . 50142 1
278 . 1 . 1 79 79 LEU H H 1 9.507 0.02 1.000 1 . . . . . 61 LEU H . 50142 1
279 . 1 . 1 79 79 LEU C C 13 175.607 0.20 1.000 1 . . . . . 61 LEU C . 50142 1
280 . 1 . 1 79 79 LEU CA C 13 53.911 0.20 1.000 1 . . . . . 61 LEU CA . 50142 1
281 . 1 . 1 79 79 LEU CB C 13 45.744 0.20 1.000 1 . . . . . 61 LEU CB . 50142 1
282 . 1 . 1 79 79 LEU N N 15 124.598 0.20 1.000 1 . . . . . 61 LEU N . 50142 1
283 . 1 . 1 80 80 PHE H H 1 9.006 0.02 1.000 1 . . . . . 62 PHE H . 50142 1
284 . 1 . 1 80 80 PHE C C 13 175.014 0.20 1.000 1 . . . . . 62 PHE C . 50142 1
285 . 1 . 1 80 80 PHE CA C 13 55.937 0.20 1.000 1 . . . . . 62 PHE CA . 50142 1
286 . 1 . 1 80 80 PHE CB C 13 43.110 0.20 1.000 1 . . . . . 62 PHE CB . 50142 1
287 . 1 . 1 80 80 PHE N N 15 120.760 0.20 1.000 1 . . . . . 62 PHE N . 50142 1
288 . 1 . 1 81 81 ASP H H 1 9.286 0.02 1.000 1 . . . . . 63 ASP H . 50142 1
289 . 1 . 1 81 81 ASP C C 13 175.988 0.20 1.000 1 . . . . . 63 ASP C . 50142 1
290 . 1 . 1 81 81 ASP CA C 13 54.667 0.20 1.000 1 . . . . . 63 ASP CA . 50142 1
291 . 1 . 1 81 81 ASP CB C 13 39.484 0.20 1.000 1 . . . . . 63 ASP CB . 50142 1
292 . 1 . 1 81 81 ASP N N 15 131.048 0.20 1.000 1 . . . . . 63 ASP N . 50142 1
293 . 1 . 1 82 82 GLY H H 1 8.588 0.02 1.000 1 . . . . . 64 GLY H . 50142 1
294 . 1 . 1 82 82 GLY C C 13 173.797 0.20 1.000 1 . . . . . 64 GLY C . 50142 1
295 . 1 . 1 82 82 GLY CA C 13 45.417 0.20 1.000 1 . . . . . 64 GLY CA . 50142 1
296 . 1 . 1 82 82 GLY N N 15 102.146 0.20 1.000 1 . . . . . 64 GLY N . 50142 1
297 . 1 . 1 83 83 ARG H H 1 7.921 0.02 1.000 1 . . . . . 65 ARG H . 50142 1
298 . 1 . 1 83 83 ARG C C 13 176.563 0.20 0.994 1 . . . . . 65 ARG C . 50142 1
299 . 1 . 1 83 83 ARG CA C 13 54.475 0.20 1.000 1 . . . . . 65 ARG CA . 50142 1
300 . 1 . 1 83 83 ARG CB C 13 32.259 0.20 1.000 1 . . . . . 65 ARG CB . 50142 1
301 . 1 . 1 83 83 ARG N N 15 121.072 0.20 1.000 1 . . . . . 65 ARG N . 50142 1
302 . 1 . 1 84 84 ARG H H 1 8.752 0.02 0.994 1 . . . . . 66 ARG H . 50142 1
303 . 1 . 1 84 84 ARG C C 13 176.768 0.20 1.000 1 . . . . . 66 ARG C . 50142 1
304 . 1 . 1 84 84 ARG CA C 13 56.704 0.20 1.000 1 . . . . . 66 ARG CA . 50142 1
305 . 1 . 1 84 84 ARG CB C 13 30.002 0.20 1.000 1 . . . . . 66 ARG CB . 50142 1
306 . 1 . 1 84 84 ARG N N 15 123.549 0.20 0.994 1 . . . . . 66 ARG N . 50142 1
307 . 1 . 1 85 85 LEU H H 1 9.141 0.02 1.000 1 . . . . . 67 LEU H . 50142 1
308 . 1 . 1 85 85 LEU CA C 13 54.397 0.20 1.000 1 . . . . . 67 LEU CA . 50142 1
309 . 1 . 1 85 85 LEU CB C 13 43.866 0.20 1.000 1 . . . . . 67 LEU CB . 50142 1
310 . 1 . 1 85 85 LEU N N 15 128.010 0.20 1.000 1 . . . . . 67 LEU N . 50142 1
311 . 1 . 1 86 86 ARG H H 1 8.470 0.02 1.000 1 . . . . . 68 ARG H . 50142 1
312 . 1 . 1 86 86 ARG C C 13 176.456 0.20 0.520 1 . . . . . 68 ARG C . 50142 1
313 . 1 . 1 86 86 ARG CA C 13 57.181 0.20 1.000 1 . . . . . 68 ARG CA . 50142 1
314 . 1 . 1 86 86 ARG CB C 13 30.239 0.20 0.691 1 . . . . . 68 ARG CB . 50142 1
315 . 1 . 1 86 86 ARG N N 15 120.123 0.20 1.000 1 . . . . . 68 ARG N . 50142 1
316 . 1 . 1 87 87 ALA H H 1 8.299 0.02 0.520 1 . . . . . 69 ALA H . 50142 1
317 . 1 . 1 87 87 ALA C C 13 177.118 0.20 1.000 1 . . . . . 69 ALA C . 50142 1
318 . 1 . 1 87 87 ALA CA C 13 54.535 0.20 1.000 1 . . . . . 69 ALA CA . 50142 1
319 . 1 . 1 87 87 ALA CB C 13 19.202 0.20 1.000 1 . . . . . 69 ALA CB . 50142 1
320 . 1 . 1 87 87 ALA N N 15 120.750 0.20 0.520 1 . . . . . 69 ALA N . 50142 1
321 . 1 . 1 88 88 GLU H H 1 8.626 0.02 1.000 1 . . . . . 70 GLU H . 50142 1
322 . 1 . 1 88 88 GLU C C 13 177.120 0.20 1.000 1 . . . . . 70 GLU C . 50142 1
323 . 1 . 1 88 88 GLU CA C 13 57.256 0.20 1.000 1 . . . . . 70 GLU CA . 50142 1
324 . 1 . 1 88 88 GLU CB C 13 28.635 0.20 1.000 1 . . . . . 70 GLU CB . 50142 1
325 . 1 . 1 88 88 GLU N N 15 111.261 0.20 1.000 1 . . . . . 70 GLU N . 50142 1
326 . 1 . 1 89 89 GLN H H 1 7.499 0.02 1.000 1 . . . . . 71 GLN H . 50142 1
327 . 1 . 1 89 89 GLN C C 13 174.884 0.20 1.000 1 . . . . . 71 GLN C . 50142 1
328 . 1 . 1 89 89 GLN CA C 13 56.302 0.20 1.000 1 . . . . . 71 GLN CA . 50142 1
329 . 1 . 1 89 89 GLN CB C 13 31.054 0.20 1.000 1 . . . . . 71 GLN CB . 50142 1
330 . 1 . 1 89 89 GLN N N 15 118.614 0.20 1.000 1 . . . . . 71 GLN N . 50142 1
331 . 1 . 1 90 90 THR H H 1 7.428 0.02 1.000 1 . . . . . 72 THR H . 50142 1
332 . 1 . 1 90 90 THR CA C 13 57.743 0.20 0.710 1 . . . . . 72 THR CA . 50142 1
333 . 1 . 1 90 90 THR CB C 13 69.967 0.20 0.643 1 . . . . . 72 THR CB . 50142 1
334 . 1 . 1 90 90 THR N N 15 108.557 0.20 1.000 1 . . . . . 72 THR N . 50142 1
335 . 1 . 1 91 91 PRO C C 13 178.757 0.20 1.000 1 . . . . . 73 PRO C . 50142 1
336 . 1 . 1 91 91 PRO CA C 13 65.692 0.20 1.000 1 . . . . . 73 PRO CA . 50142 1
337 . 1 . 1 91 91 PRO CB C 13 32.412 0.20 1.000 1 . . . . . 73 PRO CB . 50142 1
338 . 1 . 1 92 92 ASP H H 1 7.906 0.02 1.000 1 . . . . . 74 ASP H . 50142 1
339 . 1 . 1 92 92 ASP C C 13 179.907 0.20 1.000 1 . . . . . 74 ASP C . 50142 1
340 . 1 . 1 92 92 ASP CA C 13 57.151 0.20 1.000 1 . . . . . 74 ASP CA . 50142 1
341 . 1 . 1 92 92 ASP CB C 13 40.839 0.20 1.000 1 . . . . . 74 ASP CB . 50142 1
342 . 1 . 1 92 92 ASP N N 15 114.875 0.20 1.000 1 . . . . . 74 ASP N . 50142 1
343 . 1 . 1 93 93 GLU H H 1 8.035 0.02 1.000 1 . . . . . 75 GLU H . 50142 1
344 . 1 . 1 93 93 GLU C C 13 178.203 0.20 1.000 1 . . . . . 75 GLU C . 50142 1
345 . 1 . 1 93 93 GLU CA C 13 58.856 0.20 1.000 1 . . . . . 75 GLU CA . 50142 1
346 . 1 . 1 93 93 GLU CB C 13 29.920 0.20 1.000 1 . . . . . 75 GLU CB . 50142 1
347 . 1 . 1 93 93 GLU N N 15 122.255 0.20 1.000 1 . . . . . 75 GLU N . 50142 1
348 . 1 . 1 94 94 LEU H H 1 7.280 0.02 1.000 1 . . . . . 76 LEU H . 50142 1
349 . 1 . 1 94 94 LEU C C 13 174.838 0.20 1.000 1 . . . . . 76 LEU C . 50142 1
350 . 1 . 1 94 94 LEU CA C 13 54.246 0.20 1.000 1 . . . . . 76 LEU CA . 50142 1
351 . 1 . 1 94 94 LEU CB C 13 43.200 0.20 1.000 1 . . . . . 76 LEU CB . 50142 1
352 . 1 . 1 94 94 LEU N N 15 117.829 0.20 1.000 1 . . . . . 76 LEU N . 50142 1
353 . 1 . 1 95 95 GLU H H 1 7.823 0.02 1.000 1 . . . . . 77 GLU H . 50142 1
354 . 1 . 1 95 95 GLU C C 13 176.185 0.20 1.000 1 . . . . . 77 GLU C . 50142 1
355 . 1 . 1 95 95 GLU CA C 13 57.117 0.20 1.000 1 . . . . . 77 GLU CA . 50142 1
356 . 1 . 1 95 95 GLU CB C 13 26.676 0.20 1.000 1 . . . . . 77 GLU CB . 50142 1
357 . 1 . 1 95 95 GLU N N 15 115.555 0.20 1.000 1 . . . . . 77 GLU N . 50142 1
358 . 1 . 1 96 96 MET H H 1 7.634 0.02 1.000 1 . . . . . 78 MET H . 50142 1
359 . 1 . 1 96 96 MET C C 13 175.247 0.20 1.000 1 . . . . . 78 MET C . 50142 1
360 . 1 . 1 96 96 MET CA C 13 57.150 0.20 1.000 1 . . . . . 78 MET CA . 50142 1
361 . 1 . 1 96 96 MET CB C 13 35.213 0.20 1.000 1 . . . . . 78 MET CB . 50142 1
362 . 1 . 1 96 96 MET N N 15 115.911 0.20 1.000 1 . . . . . 78 MET N . 50142 1
363 . 1 . 1 97 97 GLU H H 1 9.440 0.02 1.000 1 . . . . . 79 GLU H . 50142 1
364 . 1 . 1 97 97 GLU C C 13 174.889 0.20 1.000 1 . . . . . 79 GLU C . 50142 1
365 . 1 . 1 97 97 GLU CA C 13 53.963 0.20 1.000 1 . . . . . 79 GLU CA . 50142 1
366 . 1 . 1 97 97 GLU CB C 13 33.371 0.20 1.000 1 . . . . . 79 GLU CB . 50142 1
367 . 1 . 1 97 97 GLU N N 15 121.872 0.20 1.000 1 . . . . . 79 GLU N . 50142 1
368 . 1 . 1 98 98 ASP H H 1 8.627 0.02 1.000 1 . . . . . 80 ASP H . 50142 1
369 . 1 . 1 98 98 ASP C C 13 178.057 0.20 1.000 1 . . . . . 80 ASP C . 50142 1
370 . 1 . 1 98 98 ASP CA C 13 56.750 0.20 1.000 1 . . . . . 80 ASP CA . 50142 1
371 . 1 . 1 98 98 ASP CB C 13 42.032 0.20 1.000 1 . . . . . 80 ASP CB . 50142 1
372 . 1 . 1 98 98 ASP N N 15 119.407 0.20 1.000 1 . . . . . 80 ASP N . 50142 1
373 . 1 . 1 99 99 GLY H H 1 9.545 0.02 1.000 1 . . . . . 81 GLY H . 50142 1
374 . 1 . 1 99 99 GLY C C 13 174.497 0.20 1.000 1 . . . . . 81 GLY C . 50142 1
375 . 1 . 1 99 99 GLY CA C 13 45.037 0.20 1.000 1 . . . . . 81 GLY CA . 50142 1
376 . 1 . 1 99 99 GLY N N 15 114.138 0.20 1.000 1 . . . . . 81 GLY N . 50142 1
377 . 1 . 1 100 100 ASP H H 1 8.135 0.02 1.000 1 . . . . . 82 ASP H . 50142 1
378 . 1 . 1 100 100 ASP C C 13 173.992 0.20 1.000 1 . . . . . 82 ASP C . 50142 1
379 . 1 . 1 100 100 ASP CA C 13 56.046 0.20 1.000 1 . . . . . 82 ASP CA . 50142 1
380 . 1 . 1 100 100 ASP CB C 13 41.888 0.20 1.000 1 . . . . . 82 ASP CB . 50142 1
381 . 1 . 1 100 100 ASP N N 15 122.204 0.20 1.000 1 . . . . . 82 ASP N . 50142 1
382 . 1 . 1 101 101 GLU H H 1 8.324 0.02 1.000 1 . . . . . 83 GLU H . 50142 1
383 . 1 . 1 101 101 GLU C C 13 175.100 0.20 1.000 1 . . . . . 83 GLU C . 50142 1
384 . 1 . 1 101 101 GLU CA C 13 54.299 0.20 1.000 1 . . . . . 83 GLU CA . 50142 1
385 . 1 . 1 101 101 GLU CB C 13 33.242 0.20 1.000 1 . . . . . 83 GLU CB . 50142 1
386 . 1 . 1 101 101 GLU N N 15 116.283 0.20 1.000 1 . . . . . 83 GLU N . 50142 1
387 . 1 . 1 102 102 ILE H H 1 9.205 0.02 1.000 1 . . . . . 84 ILE H . 50142 1
388 . 1 . 1 102 102 ILE C C 13 174.639 0.20 1.000 1 . . . . . 84 ILE C . 50142 1
389 . 1 . 1 102 102 ILE CA C 13 59.517 0.20 1.000 1 . . . . . 84 ILE CA . 50142 1
390 . 1 . 1 102 102 ILE CB C 13 41.719 0.20 1.000 1 . . . . . 84 ILE CB . 50142 1
391 . 1 . 1 102 102 ILE N N 15 124.708 0.20 1.000 1 . . . . . 84 ILE N . 50142 1
392 . 1 . 1 103 103 ASP H H 1 9.212 0.02 1.000 1 . . . . . 85 ASP H . 50142 1
393 . 1 . 1 103 103 ASP C C 13 174.469 0.20 1.000 1 . . . . . 85 ASP C . 50142 1
394 . 1 . 1 103 103 ASP CA C 13 54.119 0.20 1.000 1 . . . . . 85 ASP CA . 50142 1
395 . 1 . 1 103 103 ASP CB C 13 43.297 0.20 1.000 1 . . . . . 85 ASP CB . 50142 1
396 . 1 . 1 103 103 ASP N N 15 126.775 0.20 1.000 1 . . . . . 85 ASP N . 50142 1
397 . 1 . 1 104 104 ALA H H 1 8.385 0.02 1.000 1 . . . . . 86 ALA H . 50142 1
398 . 1 . 1 104 104 ALA C C 13 176.396 0.20 1.000 1 . . . . . 86 ALA C . 50142 1
399 . 1 . 1 104 104 ALA CA C 13 50.126 0.20 1.000 1 . . . . . 86 ALA CA . 50142 1
400 . 1 . 1 104 104 ALA CB C 13 20.115 0.20 1.000 1 . . . . . 86 ALA CB . 50142 1
401 . 1 . 1 104 104 ALA N N 15 125.955 0.20 1.000 1 . . . . . 86 ALA N . 50142 1
402 . 1 . 1 105 105 MET H H 1 8.747 0.02 1.000 1 . . . . . 87 MET H . 50142 1
403 . 1 . 1 105 105 MET C C 13 174.561 0.20 1.000 1 . . . . . 87 MET C . 50142 1
404 . 1 . 1 105 105 MET CA C 13 53.626 0.20 1.000 1 . . . . . 87 MET CA . 50142 1
405 . 1 . 1 105 105 MET CB C 13 34.678 0.20 1.000 1 . . . . . 87 MET CB . 50142 1
406 . 1 . 1 105 105 MET N N 15 122.494 0.20 1.000 1 . . . . . 87 MET N . 50142 1
407 . 1 . 1 106 106 LEU H H 1 8.415 0.02 1.000 1 . . . . . 88 LEU H . 50142 1
408 . 1 . 1 106 106 LEU C C 13 177.289 0.20 1.000 1 . . . . . 88 LEU C . 50142 1
409 . 1 . 1 106 106 LEU CA C 13 55.351 0.20 1.000 1 . . . . . 88 LEU CA . 50142 1
410 . 1 . 1 106 106 LEU CB C 13 42.157 0.20 1.000 1 . . . . . 88 LEU CB . 50142 1
411 . 1 . 1 106 106 LEU N N 15 125.056 0.20 1.000 1 . . . . . 88 LEU N . 50142 1
412 . 1 . 1 107 107 HIS H H 1 8.367 0.02 1.000 1 . . . . . 89 HIS H . 50142 1
413 . 1 . 1 107 107 HIS C C 13 177.097 0.20 0.522 1 . . . . . 89 HIS C . 50142 1
414 . 1 . 1 107 107 HIS CA C 13 56.600 0.20 0.546 1 . . . . . 89 HIS CA . 50142 1
415 . 1 . 1 107 107 HIS CB C 13 30.700 0.20 0.584 1 . . . . . 89 HIS CB . 50142 1
416 . 1 . 1 107 107 HIS N N 15 123.233 0.20 1.000 1 . . . . . 89 HIS N . 50142 1
417 . 1 . 1 108 108 GLN H H 1 8.114 0.02 0.522 1 . . . . . 90 GLN H . 50142 1
418 . 1 . 1 108 108 GLN C C 13 175.541 0.20 0.476 1 . . . . . 90 GLN C . 50142 1
419 . 1 . 1 108 108 GLN CA C 13 55.000 0.20 0.698 1 . . . . . 90 GLN CA . 50142 1
420 . 1 . 1 108 108 GLN CB C 13 30.019 0.20 0.672 1 . . . . . 90 GLN CB . 50142 1
421 . 1 . 1 108 108 GLN N N 15 120.083 0.20 0.522 1 . . . . . 90 GLN N . 50142 1
422 . 1 . 1 109 109 THR H H 1 7.836 0.02 0.476 1 . . . . . 91 THR H . 50142 1
423 . 1 . 1 109 109 THR N N 15 109.905 0.20 0.476 1 . . . . . 91 THR N . 50142 1
stop_
save_