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 51384
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name SH3-DNAse1L3-CTD
_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' . . . 51384 1
2 '3D HNCACB' . . . 51384 1
3 '3D HN(CO)CACB' . . . 51384 1
4 '3D HN(CA)CO' . . . 51384 1
5 '3D HCACO' . . . 51384 1
6 '3D HCCH-TOCSY' . . . 51384 1
7 '3D 1H-15N NOESY' . . . 51384 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
2 $software_2 . . 51384 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 6 6 HIS C C 13 175.665 0.03 . 1 . . . . . 6 H C . 51384 1
2 . 1 . 1 6 6 HIS CA C 13 55.108 0.03 . 1 . . . . . 6 H CA . 51384 1
3 . 1 . 1 7 7 HIS H H 1 8.030 0.005 . 1 . . . . . 7 H HN . 51384 1
4 . 1 . 1 7 7 HIS C C 13 172.899 0.03 . 1 . . . . . 7 H C . 51384 1
5 . 1 . 1 7 7 HIS CA C 13 56.397 0.03 . 1 . . . . . 7 H CA . 51384 1
6 . 1 . 1 7 7 HIS CB C 13 31.846 0.04 . 1 . . . . . 7 H CB . 51384 1
7 . 1 . 1 7 7 HIS N N 15 122.912 0.01 . 1 . . . . . 7 H N . 51384 1
8 . 1 . 1 8 8 HIS H H 1 8.240 0.005 . 1 . . . . . 8 H HN . 51384 1
9 . 1 . 1 8 8 HIS C C 13 172.219 0.03 . 1 . . . . . 8 H C . 51384 1
10 . 1 . 1 8 8 HIS CA C 13 51.872 0.03 . 1 . . . . . 8 H CA . 51384 1
11 . 1 . 1 8 8 HIS CB C 13 33.929 0.04 . 1 . . . . . 8 H CB . 51384 1
12 . 1 . 1 8 8 HIS N N 15 121.315 0.01 . 1 . . . . . 8 H N . 51384 1
13 . 1 . 1 9 9 THR C C 13 172.465 0.03 . 1 . . . . . 9 T C . 51384 1
14 . 1 . 1 10 10 SER H H 1 7.498 0.005 . 1 . . . . . 10 S HN . 51384 1
15 . 1 . 1 10 10 SER C C 13 179.219 0.03 . 1 . . . . . 10 S C . 51384 1
16 . 1 . 1 10 10 SER CA C 13 54.920 0.03 . 1 . . . . . 10 S CA . 51384 1
17 . 1 . 1 10 10 SER N N 15 122.445 0.01 . 1 . . . . . 10 S N . 51384 1
18 . 1 . 1 11 11 ASN H H 1 8.779 0.005 . 1 . . . . . 11 N HN . 51384 1
19 . 1 . 1 11 11 ASN C C 13 174.255 0.03 . 1 . . . . . 11 N C . 51384 1
20 . 1 . 1 11 11 ASN CA C 13 54.090 0.03 . 1 . . . . . 11 N CA . 51384 1
21 . 1 . 1 11 11 ASN CB C 13 46.589 0.04 . 1 . . . . . 11 N CB . 51384 1
22 . 1 . 1 11 11 ASN N N 15 122.651 0.01 . 1 . . . . . 11 N N . 51384 1
23 . 1 . 1 13 13 TRP C C 13 174.132 0.03 . 1 . . . . . 13 W C . 51384 1
24 . 1 . 1 14 14 ALA H H 1 10.096 0.005 . 1 . . . . . 14 A HN . 51384 1
25 . 1 . 1 14 14 ALA C C 13 175.039 0.03 . 1 . . . . . 14 A C . 51384 1
26 . 1 . 1 14 14 ALA CA C 13 50.819 0.03 . 1 . . . . . 14 A CA . 51384 1
27 . 1 . 1 14 14 ALA CB C 13 25.957 0.04 . 1 . . . . . 14 A CB . 51384 1
28 . 1 . 1 14 14 ALA N N 15 121.155 0.01 . 1 . . . . . 14 A N . 51384 1
29 . 1 . 1 15 15 THR H H 1 8.251 0.005 . 1 . . . . . 15 T HN . 51384 1
30 . 1 . 1 15 15 THR C C 13 174.763 0.03 . 1 . . . . . 15 T C . 51384 1
31 . 1 . 1 15 15 THR CA C 13 60.499 0.03 . 1 . . . . . 15 T CA . 51384 1
32 . 1 . 1 15 15 THR CB C 13 70.065 0.04 . 1 . . . . . 15 T CB . 51384 1
33 . 1 . 1 15 15 THR N N 15 113.186 0.01 . 1 . . . . . 15 T N . 51384 1
34 . 1 . 1 16 16 ALA H H 1 8.945 0.005 . 1 . . . . . 16 A HN . 51384 1
35 . 1 . 1 16 16 ALA C C 13 178.486 0.03 . 1 . . . . . 16 A C . 51384 1
36 . 1 . 1 16 16 ALA CA C 13 53.115 0.03 . 1 . . . . . 16 A CA . 51384 1
37 . 1 . 1 16 16 ALA CB C 13 20.800 0.04 . 1 . . . . . 16 A CB . 51384 1
38 . 1 . 1 16 16 ALA N N 15 127.683 0.01 . 1 . . . . . 16 A N . 51384 1
39 . 1 . 1 17 17 GLU H H 1 9.420 0.005 . 1 . . . . . 17 E HN . 51384 1
40 . 1 . 1 17 17 GLU C C 13 174.158 0.03 . 1 . . . . . 17 E C . 51384 1
41 . 1 . 1 17 17 GLU CA C 13 56.353 0.03 . 1 . . . . . 17 E CA . 51384 1
42 . 1 . 1 17 17 GLU CB C 13 31.426 0.04 . 1 . . . . . 17 E CB . 51384 1
43 . 1 . 1 17 17 GLU N N 15 125.468 0.01 . 1 . . . . . 17 E N . 51384 1
44 . 1 . 1 18 18 TYR H H 1 7.429 0.005 . 1 . . . . . 18 Y HN . 51384 1
45 . 1 . 1 18 18 TYR C C 13 173.345 0.03 . 1 . . . . . 18 Y C . 51384 1
46 . 1 . 1 18 18 TYR CA C 13 54.639 0.03 . 1 . . . . . 18 Y CA . 51384 1
47 . 1 . 1 18 18 TYR CB C 13 43.255 0.04 . 1 . . . . . 18 Y CB . 51384 1
48 . 1 . 1 18 18 TYR N N 15 114.192 0.01 . 1 . . . . . 18 Y N . 51384 1
49 . 1 . 1 19 19 ASP H H 1 8.472 0.005 . 1 . . . . . 19 D HN . 51384 1
50 . 1 . 1 19 19 ASP C C 13 175.745 0.03 . 1 . . . . . 19 D C . 51384 1
51 . 1 . 1 19 19 ASP CA C 13 53.233 0.03 . 1 . . . . . 19 D CA . 51384 1
52 . 1 . 1 19 19 ASP CB C 13 41.114 0.04 . 1 . . . . . 19 D CB . 51384 1
53 . 1 . 1 19 19 ASP N N 15 118.667 0.01 . 1 . . . . . 19 D N . 51384 1
54 . 1 . 1 20 20 TYR H H 1 8.271 0.005 . 1 . . . . . 20 Y HN . 51384 1
55 . 1 . 1 20 20 TYR C C 13 172.684 0.03 . 1 . . . . . 20 Y C . 51384 1
56 . 1 . 1 20 20 TYR CA C 13 58.844 0.03 . 1 . . . . . 20 Y CA . 51384 1
57 . 1 . 1 20 20 TYR CB C 13 42.405 0.04 . 1 . . . . . 20 Y CB . 51384 1
58 . 1 . 1 20 20 TYR N N 15 121.129 0.01 . 1 . . . . . 20 Y N . 51384 1
59 . 1 . 1 21 21 ASP H H 1 7.202 0.005 . 1 . . . . . 21 D HN . 51384 1
60 . 1 . 1 21 21 ASP C C 13 173.146 0.03 . 1 . . . . . 21 D C . 51384 1
61 . 1 . 1 21 21 ASP CA C 13 52.204 0.03 . 1 . . . . . 21 D CA . 51384 1
62 . 1 . 1 21 21 ASP CB C 13 42.256 0.04 . 1 . . . . . 21 D CB . 51384 1
63 . 1 . 1 21 21 ASP N N 15 126.343 0.01 . 1 . . . . . 21 D N . 51384 1
64 . 1 . 1 22 22 ALA H H 1 7.654 0.005 . 1 . . . . . 22 A HN . 51384 1
65 . 1 . 1 22 22 ALA C C 13 178.369 0.03 . 1 . . . . . 22 A C . 51384 1
66 . 1 . 1 22 22 ALA CA C 13 53.301 0.03 . 1 . . . . . 22 A CA . 51384 1
67 . 1 . 1 22 22 ALA CB C 13 20.906 0.04 . 1 . . . . . 22 A CB . 51384 1
68 . 1 . 1 22 22 ALA N N 15 124.182 0.01 . 1 . . . . . 22 A N . 51384 1
69 . 1 . 1 23 23 ALA H H 1 9.105 0.005 . 1 . . . . . 23 A HN . 51384 1
70 . 1 . 1 23 23 ALA C C 13 177.059 0.03 . 1 . . . . . 23 A C . 51384 1
71 . 1 . 1 23 23 ALA CA C 13 51.943 0.03 . 1 . . . . . 23 A CA . 51384 1
72 . 1 . 1 23 23 ALA CB C 13 25.288 0.04 . 1 . . . . . 23 A CB . 51384 1
73 . 1 . 1 23 23 ALA N N 15 126.226 0.01 . 1 . . . . . 23 A N . 51384 1
74 . 1 . 1 24 24 GLU H H 1 7.071 0.005 . 1 . . . . . 24 E HN . 51384 1
75 . 1 . 1 24 24 GLU C C 13 177.187 0.03 . 1 . . . . . 24 E C . 51384 1
76 . 1 . 1 24 24 GLU CA C 13 53.619 0.03 . 1 . . . . . 24 E CA . 51384 1
77 . 1 . 1 24 24 GLU CB C 13 34.031 0.04 . 1 . . . . . 24 E CB . 51384 1
78 . 1 . 1 24 24 GLU N N 15 114.152 0.01 . 1 . . . . . 24 E N . 51384 1
79 . 1 . 1 25 25 ASP H H 1 9.028 0.005 . 1 . . . . . 25 D HN . 51384 1
80 . 1 . 1 25 25 ASP C C 13 176.044 0.03 . 1 . . . . . 25 D C . 51384 1
81 . 1 . 1 25 25 ASP CA C 13 56.407 0.03 . 1 . . . . . 25 D CA . 51384 1
82 . 1 . 1 25 25 ASP CB C 13 40.717 0.04 . 1 . . . . . 25 D CB . 51384 1
83 . 1 . 1 25 25 ASP N N 15 120.061 0.01 . 1 . . . . . 25 D N . 51384 1
84 . 1 . 1 26 26 ASN H H 1 7.920 0.005 . 1 . . . . . 26 N HN . 51384 1
85 . 1 . 1 26 26 ASN C C 13 175.450 0.03 . 1 . . . . . 26 N C . 51384 1
86 . 1 . 1 26 26 ASN CA C 13 52.130 0.03 . 1 . . . . . 26 N CA . 51384 1
87 . 1 . 1 26 26 ASN CB C 13 37.549 0.04 . 1 . . . . . 26 N CB . 51384 1
88 . 1 . 1 26 26 ASN N N 15 114.394 0.01 . 1 . . . . . 26 N N . 51384 1
89 . 1 . 1 27 27 GLU H H 1 7.564 0.005 . 1 . . . . . 27 E HN . 51384 1
90 . 1 . 1 27 27 GLU C C 13 176.571 0.03 . 1 . . . . . 27 E C . 51384 1
91 . 1 . 1 27 27 GLU CA C 13 55.016 0.03 . 1 . . . . . 27 E CA . 51384 1
92 . 1 . 1 27 27 GLU CB C 13 33.878 0.04 . 1 . . . . . 27 E CB . 51384 1
93 . 1 . 1 27 27 GLU N N 15 118.659 0.01 . 1 . . . . . 27 E N . 51384 1
94 . 1 . 1 28 28 LEU H H 1 8.847 0.005 . 1 . . . . . 28 L HN . 51384 1
95 . 1 . 1 28 28 LEU C C 13 174.220 0.03 . 1 . . . . . 28 L C . 51384 1
96 . 1 . 1 28 28 LEU CA C 13 54.043 0.03 . 1 . . . . . 28 L CA . 51384 1
97 . 1 . 1 28 28 LEU CB C 13 46.587 0.04 . 1 . . . . . 28 L CB . 51384 1
98 . 1 . 1 28 28 LEU N N 15 122.909 0.01 . 1 . . . . . 28 L N . 51384 1
99 . 1 . 1 29 29 THR H H 1 7.377 0.005 . 1 . . . . . 29 T HN . 51384 1
100 . 1 . 1 29 29 THR C C 13 174.395 0.03 . 1 . . . . . 29 T C . 51384 1
101 . 1 . 1 29 29 THR CA C 13 61.491 0.03 . 1 . . . . . 29 T CA . 51384 1
102 . 1 . 1 29 29 THR CB C 13 71.355 0.04 . 1 . . . . . 29 T CB . 51384 1
103 . 1 . 1 29 29 THR N N 15 114.753 0.01 . 1 . . . . . 29 T N . 51384 1
104 . 1 . 1 30 30 PHE H H 1 9.047 0.005 . 1 . . . . . 30 F HN . 51384 1
105 . 1 . 1 30 30 PHE C C 13 174.892 0.03 . 1 . . . . . 30 F C . 51384 1
106 . 1 . 1 30 30 PHE CA C 13 55.512 0.03 . 1 . . . . . 30 F CA . 51384 1
107 . 1 . 1 30 30 PHE CB C 13 41.492 0.04 . 1 . . . . . 30 F CB . 51384 1
108 . 1 . 1 30 30 PHE N N 15 120.716 0.01 . 1 . . . . . 30 F N . 51384 1
109 . 1 . 1 31 31 VAL H H 1 9.271 0.005 . 1 . . . . . 31 V HN . 51384 1
110 . 1 . 1 31 31 VAL C C 13 174.936 0.03 . 1 . . . . . 31 V C . 51384 1
111 . 1 . 1 31 31 VAL CA C 13 58.985 0.03 . 1 . . . . . 31 V CA . 51384 1
112 . 1 . 1 31 31 VAL CB C 13 35.929 0.04 . 1 . . . . . 31 V CB . 51384 1
113 . 1 . 1 31 31 VAL N N 15 116.954 0.01 . 1 . . . . . 31 V N . 51384 1
114 . 1 . 1 32 32 GLU H H 1 8.802 0.005 . 1 . . . . . 32 E HN . 51384 1
115 . 1 . 1 32 32 GLU C C 13 176.586 0.03 . 1 . . . . . 32 E C . 51384 1
116 . 1 . 1 32 32 GLU CA C 13 58.340 0.03 . 1 . . . . . 32 E CA . 51384 1
117 . 1 . 1 32 32 GLU CB C 13 30.489 0.04 . 1 . . . . . 32 E CB . 51384 1
118 . 1 . 1 32 32 GLU N N 15 120.864 0.01 . 1 . . . . . 32 E N . 51384 1
119 . 1 . 1 33 33 ASN H H 1 8.913 0.005 . 1 . . . . . 33 N HN . 51384 1
120 . 1 . 1 33 33 ASN C C 13 175.132 0.03 . 1 . . . . . 33 N C . 51384 1
121 . 1 . 1 33 33 ASN CA C 13 56.085 0.03 . 1 . . . . . 33 N CA . 51384 1
122 . 1 . 1 33 33 ASN CB C 13 38.013 0.04 . 1 . . . . . 33 N CB . 51384 1
123 . 1 . 1 33 33 ASN N N 15 117.458 0.01 . 1 . . . . . 33 N N . 51384 1
124 . 1 . 1 34 34 ASP H H 1 8.652 0.005 . 1 . . . . . 34 D HN . 51384 1
125 . 1 . 1 34 34 ASP C C 13 175.537 0.03 . 1 . . . . . 34 D C . 51384 1
126 . 1 . 1 34 34 ASP CA C 13 55.903 0.03 . 1 . . . . . 34 D CA . 51384 1
127 . 1 . 1 34 34 ASP CB C 13 41.468 0.04 . 1 . . . . . 34 D CB . 51384 1
128 . 1 . 1 34 34 ASP N N 15 122.772 0.01 . 1 . . . . . 34 D N . 51384 1
129 . 1 . 1 35 35 LYS H H 1 8.186 0.005 . 1 . . . . . 35 K HN . 51384 1
130 . 1 . 1 35 35 LYS C C 13 175.867 0.03 . 1 . . . . . 35 K C . 51384 1
131 . 1 . 1 35 35 LYS CB C 13 34.076 0.04 . 1 . . . . . 35 K CB . 51384 1
132 . 1 . 1 35 35 LYS N N 15 120.239 0.01 . 1 . . . . . 35 K N . 51384 1
133 . 1 . 1 36 36 ILE H H 1 9.332 0.005 . 1 . . . . . 36 I HN . 51384 1
134 . 1 . 1 36 36 ILE C C 13 174.884 0.03 . 1 . . . . . 36 I C . 51384 1
135 . 1 . 1 36 36 ILE CA C 13 60.387 0.03 . 1 . . . . . 36 I CA . 51384 1
136 . 1 . 1 36 36 ILE CB C 13 40.704 0.04 . 1 . . . . . 36 I CB . 51384 1
137 . 1 . 1 36 36 ILE N N 15 130.698 0.01 . 1 . . . . . 36 I N . 51384 1
138 . 1 . 1 37 37 ILE H H 1 9.830 0.005 . 1 . . . . . 37 I HN . 51384 1
139 . 1 . 1 37 37 ILE C C 13 174.773 0.03 . 1 . . . . . 37 I C . 51384 1
140 . 1 . 1 37 37 ILE CA C 13 59.103 0.03 . 1 . . . . . 37 I CA . 51384 1
141 . 1 . 1 37 37 ILE CB C 13 42.609 0.04 . 1 . . . . . 37 I CB . 51384 1
142 . 1 . 1 37 37 ILE N N 15 119.146 0.01 . 1 . . . . . 37 I N . 51384 1
143 . 1 . 1 38 38 ASN H H 1 9.295 0.005 . 1 . . . . . 38 N HN . 51384 1
144 . 1 . 1 38 38 ASN C C 13 170.347 0.03 . 1 . . . . . 38 N C . 51384 1
145 . 1 . 1 38 38 ASN CA C 13 53.812 0.03 . 1 . . . . . 38 N CA . 51384 1
146 . 1 . 1 38 38 ASN CB C 13 37.271 0.04 . 1 . . . . . 38 N CB . 51384 1
147 . 1 . 1 38 38 ASN N N 15 116.014 0.01 . 1 . . . . . 38 N N . 51384 1
148 . 1 . 1 39 39 ILE H H 1 7.740 0.005 . 1 . . . . . 39 I HN . 51384 1
149 . 1 . 1 39 39 ILE C C 13 176.368 0.03 . 1 . . . . . 39 I C . 51384 1
150 . 1 . 1 39 39 ILE CA C 13 62.010 0.03 . 1 . . . . . 39 I CA . 51384 1
151 . 1 . 1 39 39 ILE CB C 13 39.029 0.04 . 1 . . . . . 39 I CB . 51384 1
152 . 1 . 1 39 39 ILE N N 15 116.523 0.01 . 1 . . . . . 39 I N . 51384 1
153 . 1 . 1 40 40 GLU H H 1 7.768 0.005 . 1 . . . . . 40 E HN . 51384 1
154 . 1 . 1 40 40 GLU C C 13 175.588 0.03 . 1 . . . . . 40 E C . 51384 1
155 . 1 . 1 40 40 GLU CA C 13 54.217 0.03 . 1 . . . . . 40 E CA . 51384 1
156 . 1 . 1 40 40 GLU CB C 13 33.065 0.04 . 1 . . . . . 40 E CB . 51384 1
157 . 1 . 1 40 40 GLU N N 15 116.646 0.01 . 1 . . . . . 40 E N . 51384 1
158 . 1 . 1 41 41 PHE H H 1 8.556 0.005 . 1 . . . . . 41 F HN . 51384 1
159 . 1 . 1 41 41 PHE C C 13 175.945 0.03 . 1 . . . . . 41 F C . 51384 1
160 . 1 . 1 41 41 PHE CA C 13 54.780 0.03 . 1 . . . . . 41 F CA . 51384 1
161 . 1 . 1 41 41 PHE CB C 13 54.268 0.04 . 1 . . . . . 41 F CB . 51384 1
162 . 1 . 1 41 41 PHE N N 15 126.656 0.01 . 1 . . . . . 41 F N . 51384 1
163 . 1 . 1 42 42 VAL H H 1 7.625 0.005 . 1 . . . . . 42 V HN . 51384 1
164 . 1 . 1 42 42 VAL C C 13 175.905 0.03 . 1 . . . . . 42 V C . 51384 1
165 . 1 . 1 42 42 VAL CA C 13 65.630 0.03 . 1 . . . . . 42 V CA . 51384 1
166 . 1 . 1 42 42 VAL CB C 13 31.806 0.04 . 1 . . . . . 42 V CB . 51384 1
167 . 1 . 1 42 42 VAL N N 15 123.903 0.01 . 1 . . . . . 42 V N . 51384 1
168 . 1 . 1 43 43 ASP H H 1 8.565 0.005 . 1 . . . . . 43 D HN . 51384 1
169 . 1 . 1 43 43 ASP C C 13 174.400 0.03 . 1 . . . . . 43 D C . 51384 1
170 . 1 . 1 43 43 ASP CA C 13 53.317 0.03 . 1 . . . . . 43 D CA . 51384 1
171 . 1 . 1 43 43 ASP CB C 13 43.429 0.04 . 1 . . . . . 43 D CB . 51384 1
172 . 1 . 1 43 43 ASP N N 15 118.830 0.01 . 1 . . . . . 43 D N . 51384 1
173 . 1 . 1 44 44 ASP H H 1 8.315 0.005 . 1 . . . . . 44 D HN . 51384 1
174 . 1 . 1 44 44 ASP C C 13 177.701 0.03 . 1 . . . . . 44 D C . 51384 1
175 . 1 . 1 44 44 ASP CA C 13 57.158 0.03 . 1 . . . . . 44 D CA . 51384 1
176 . 1 . 1 44 44 ASP CB C 13 41.146 0.04 . 1 . . . . . 44 D CB . 51384 1
177 . 1 . 1 44 44 ASP N N 15 115.664 0.01 . 1 . . . . . 44 D N . 51384 1
178 . 1 . 1 45 45 ASP H H 1 8.760 0.005 . 1 . . . . . 45 D HN . 51384 1
179 . 1 . 1 45 45 ASP C C 13 175.673 0.03 . 1 . . . . . 45 D C . 51384 1
180 . 1 . 1 45 45 ASP CA C 13 55.093 0.03 . 1 . . . . . 45 D CA . 51384 1
181 . 1 . 1 45 45 ASP CB C 13 43.090 0.04 . 1 . . . . . 45 D CB . 51384 1
182 . 1 . 1 45 45 ASP N N 15 117.352 0.01 . 1 . . . . . 45 D N . 51384 1
183 . 1 . 1 46 46 TRP H H 1 8.125 0.005 . 1 . . . . . 46 W HN . 51384 1
184 . 1 . 1 46 46 TRP C C 13 172.962 0.03 . 1 . . . . . 46 W C . 51384 1
185 . 1 . 1 46 46 TRP CA C 13 56.421 0.03 . 1 . . . . . 46 W CA . 51384 1
186 . 1 . 1 46 46 TRP CB C 13 31.975 0.04 . 1 . . . . . 46 W CB . 51384 1
187 . 1 . 1 46 46 TRP N N 15 123.098 0.01 . 1 . . . . . 46 W N . 51384 1
188 . 1 . 1 47 47 TRP H H 1 8.297 0.005 . 1 . . . . . 47 W HN . 51384 1
189 . 1 . 1 47 47 TRP C C 13 172.158 0.03 . 1 . . . . . 47 W C . 51384 1
190 . 1 . 1 47 47 TRP CA C 13 51.791 0.03 . 1 . . . . . 47 W CA . 51384 1
191 . 1 . 1 47 47 TRP CB C 13 33.895 0.04 . 1 . . . . . 47 W CB . 51384 1
192 . 1 . 1 47 47 TRP N N 15 121.637 0.01 . 1 . . . . . 47 W N . 51384 1
193 . 1 . 1 48 48 LEU H H 1 8.702 0.005 . 1 . . . . . 48 L HN . 51384 1
194 . 1 . 1 48 48 LEU C C 13 176.274 0.03 . 1 . . . . . 48 L C . 51384 1
195 . 1 . 1 48 48 LEU CA C 13 53.422 0.03 . 1 . . . . . 48 L CA . 51384 1
196 . 1 . 1 48 48 LEU CB C 13 46.639 0.04 . 1 . . . . . 48 L CB . 51384 1
197 . 1 . 1 48 48 LEU N N 15 121.336 0.01 . 1 . . . . . 48 L N . 51384 1
198 . 1 . 1 49 49 GLY H H 1 8.774 0.005 . 1 . . . . . 49 G HN . 51384 1
199 . 1 . 1 49 49 GLY C C 13 169.645 0.03 . 1 . . . . . 49 G C . 51384 1
200 . 1 . 1 49 49 GLY CA C 13 45.883 0.03 . 1 . . . . . 49 G CA . 51384 1
201 . 1 . 1 49 49 GLY N N 15 109.167 0.01 . 1 . . . . . 49 G N . 51384 1
202 . 1 . 1 50 50 GLU H H 1 8.605 0.005 . 1 . . . . . 50 E HN . 51384 1
203 . 1 . 1 50 50 GLU C C 13 175.586 0.03 . 1 . . . . . 50 E C . 51384 1
204 . 1 . 1 50 50 GLU CA C 13 52.505 0.03 . 1 . . . . . 50 E CA . 51384 1
205 . 1 . 1 50 50 GLU CB C 13 33.961 0.04 . 1 . . . . . 50 E CB . 51384 1
206 . 1 . 1 50 50 GLU N N 15 119.960 0.01 . 1 . . . . . 50 E N . 51384 1
207 . 1 . 1 51 51 LEU H H 1 9.530 0.005 . 1 . . . . . 51 L HN . 51384 1
208 . 1 . 1 51 51 LEU C C 13 178.263 0.03 . 1 . . . . . 51 L C . 51384 1
209 . 1 . 1 51 51 LEU CA C 13 54.605 0.03 . 1 . . . . . 51 L CA . 51384 1
210 . 1 . 1 51 51 LEU CB C 13 41.461 0.04 . 1 . . . . . 51 L CB . 51384 1
211 . 1 . 1 51 51 LEU N N 15 126.327 0.01 . 1 . . . . . 51 L N . 51384 1
212 . 1 . 1 52 52 GLU H H 1 8.198 0.005 . 1 . . . . . 52 E HN . 51384 1
213 . 1 . 1 52 52 GLU C C 13 178.478 0.03 . 1 . . . . . 52 E C . 51384 1
214 . 1 . 1 52 52 GLU CA C 13 59.458 0.03 . 1 . . . . . 52 E CA . 51384 1
215 . 1 . 1 52 52 GLU CB C 13 30.832 0.04 . 1 . . . . . 52 E CB . 51384 1
216 . 1 . 1 52 52 GLU N N 15 129.484 0.01 . 1 . . . . . 52 E N . 51384 1
217 . 1 . 1 53 53 LYS H H 1 9.267 0.005 . 1 . . . . . 53 K HN . 51384 1
218 . 1 . 1 53 53 LYS C C 13 176.693 0.03 . 1 . . . . . 53 K C . 51384 1
219 . 1 . 1 53 53 LYS CA C 13 58.353 0.03 . 1 . . . . . 53 K CA . 51384 1
220 . 1 . 1 53 53 LYS CB C 13 32.345 0.04 . 1 . . . . . 53 K CB . 51384 1
221 . 1 . 1 53 53 LYS N N 15 113.746 0.01 . 1 . . . . . 53 K N . 51384 1
222 . 1 . 1 54 54 ASP H H 1 6.835 0.005 . 1 . . . . . 54 D HN . 51384 1
223 . 1 . 1 54 54 ASP C C 13 177.114 0.03 . 1 . . . . . 54 D C . 51384 1
224 . 1 . 1 54 54 ASP CA C 13 53.419 0.03 . 1 . . . . . 54 D CA . 51384 1
225 . 1 . 1 54 54 ASP CB C 13 42.608 0.04 . 1 . . . . . 54 D CB . 51384 1
226 . 1 . 1 54 54 ASP N N 15 114.412 0.01 . 1 . . . . . 54 D N . 51384 1
227 . 1 . 1 55 55 GLY H H 1 8.418 0.005 . 1 . . . . . 55 G HN . 51384 1
228 . 1 . 1 55 55 GLY C C 13 174.402 0.03 . 1 . . . . . 55 G C . 51384 1
229 . 1 . 1 55 55 GLY CA C 13 46.182 0.03 . 1 . . . . . 55 G CA . 51384 1
230 . 1 . 1 55 55 GLY N N 15 109.850 0.01 . 1 . . . . . 55 G N . 51384 1
231 . 1 . 1 56 56 SER H H 1 8.704 0.005 . 1 . . . . . 56 S HN . 51384 1
232 . 1 . 1 56 56 SER C C 13 172.597 0.03 . 1 . . . . . 56 S C . 51384 1
233 . 1 . 1 56 56 SER CA C 13 59.508 0.03 . 1 . . . . . 56 S CA . 51384 1
234 . 1 . 1 56 56 SER CB C 13 63.501 0.04 . 1 . . . . . 56 S CB . 51384 1
235 . 1 . 1 56 56 SER N N 15 118.383 0.01 . 1 . . . . . 56 S N . 51384 1
236 . 1 . 1 57 57 LYS H H 1 8.405 0.005 . 1 . . . . . 57 K HN . 51384 1
237 . 1 . 1 57 57 LYS C C 13 176.764 0.03 . 1 . . . . . 57 K C . 51384 1
238 . 1 . 1 57 57 LYS CA C 13 54.922 0.03 . 1 . . . . . 57 K CA . 51384 1
239 . 1 . 1 57 57 LYS CB C 13 37.155 0.04 . 1 . . . . . 57 K CB . 51384 1
240 . 1 . 1 57 57 LYS N N 15 119.720 0.01 . 1 . . . . . 57 K N . 51384 1
241 . 1 . 1 58 58 GLY H H 1 8.726 0.005 . 1 . . . . . 58 G HN . 51384 1
242 . 1 . 1 58 58 GLY C C 13 171.468 0.03 . 1 . . . . . 58 G C . 51384 1
243 . 1 . 1 58 58 GLY CA C 13 45.580 0.03 . 1 . . . . . 58 G CA . 51384 1
244 . 1 . 1 58 58 GLY N N 15 108.986 0.01 . 1 . . . . . 58 G N . 51384 1
245 . 1 . 1 59 59 LEU H H 1 8.839 0.005 . 1 . . . . . 59 L HN . 51384 1
246 . 1 . 1 59 59 LEU C C 13 177.808 0.03 . 1 . . . . . 59 L C . 51384 1
247 . 1 . 1 59 59 LEU CA C 13 54.459 0.03 . 1 . . . . . 59 L CA . 51384 1
248 . 1 . 1 59 59 LEU N N 15 120.553 0.01 . 1 . . . . . 59 L N . 51384 1
249 . 1 . 1 60 60 PHE H H 1 9.287 0.005 . 1 . . . . . 60 F HN . 51384 1
250 . 1 . 1 60 60 PHE C C 13 170.394 0.03 . 1 . . . . . 60 F C . 51384 1
251 . 1 . 1 60 60 PHE CA C 13 55.143 0.03 . 1 . . . . . 60 F CA . 51384 1
252 . 1 . 1 60 60 PHE CB C 13 39.805 0.04 . 1 . . . . . 60 F CB . 51384 1
253 . 1 . 1 60 60 PHE N N 15 115.465 0.01 . 1 . . . . . 60 F N . 51384 1
254 . 1 . 1 61 61 PRO C C 13 177.746 0.03 . 1 . . . . . 61 P C . 51384 1
255 . 1 . 1 61 61 PRO CA C 13 60.726 0.03 . 1 . . . . . 61 P CA . 51384 1
256 . 1 . 1 61 61 PRO CB C 13 30.752 0.04 . 1 . . . . . 61 P CB . 51384 1
257 . 1 . 1 62 62 SER H H 1 7.649 0.005 . 1 . . . . . 62 S HN . 51384 1
258 . 1 . 1 62 62 SER C C 13 175.060 0.03 . 1 . . . . . 62 S C . 51384 1
259 . 1 . 1 62 62 SER CA C 13 59.705 0.03 . 1 . . . . . 62 S CA . 51384 1
260 . 1 . 1 62 62 SER N N 15 122.176 0.01 . 1 . . . . . 62 S N . 51384 1
261 . 1 . 1 63 63 ASN H H 1 8.063 0.005 . 1 . . . . . 63 N HN . 51384 1
262 . 1 . 1 63 63 ASN C C 13 175.476 0.03 . 1 . . . . . 63 N C . 51384 1
263 . 1 . 1 63 63 ASN CA C 13 53.634 0.03 . 1 . . . . . 63 N CA . 51384 1
264 . 1 . 1 63 63 ASN CB C 13 36.859 0.04 . 1 . . . . . 63 N CB . 51384 1
265 . 1 . 1 63 63 ASN N N 15 115.519 0.01 . 1 . . . . . 63 N N . 51384 1
266 . 1 . 1 64 64 TYR H H 1 7.834 0.005 . 1 . . . . . 64 Y HN . 51384 1
267 . 1 . 1 64 64 TYR C C 13 175.193 0.03 . 1 . . . . . 64 Y C . 51384 1
268 . 1 . 1 64 64 TYR CA C 13 58.710 0.03 . 1 . . . . . 64 Y CA . 51384 1
269 . 1 . 1 64 64 TYR CB C 13 38.843 0.04 . 1 . . . . . 64 Y CB . 51384 1
270 . 1 . 1 64 64 TYR N N 15 119.189 0.01 . 1 . . . . . 64 Y N . 51384 1
271 . 1 . 1 65 65 VAL H H 1 7.400 0.005 . 1 . . . . . 65 V HN . 51384 1
272 . 1 . 1 65 65 VAL C C 13 173.756 0.03 . 1 . . . . . 65 V C . 51384 1
273 . 1 . 1 65 65 VAL CA C 13 58.122 0.03 . 1 . . . . . 65 V CA . 51384 1
274 . 1 . 1 65 65 VAL CB C 13 35.267 0.04 . 1 . . . . . 65 V CB . 51384 1
275 . 1 . 1 65 65 VAL N N 15 109.044 0.01 . 1 . . . . . 65 V N . 51384 1
276 . 1 . 1 66 66 SER H H 1 8.615 0.005 . 1 . . . . . 66 S HN . 51384 1
277 . 1 . 1 66 66 SER C C 13 175.415 0.03 . 1 . . . . . 66 S C . 51384 1
278 . 1 . 1 66 66 SER CA C 13 56.072 0.03 . 1 . . . . . 66 S CA . 51384 1
279 . 1 . 1 66 66 SER CB C 13 64.102 0.04 . 1 . . . . . 66 S CB . 51384 1
280 . 1 . 1 66 66 SER N N 15 114.145 0.01 . 1 . . . . . 66 S N . 51384 1
281 . 1 . 1 67 67 LEU H H 1 9.232 0.005 . 1 . . . . . 67 L HN . 51384 1
282 . 1 . 1 67 67 LEU C C 13 177.394 0.03 . 1 . . . . . 67 L C . 51384 1
283 . 1 . 1 67 67 LEU CB C 13 42.834 0.04 . 1 . . . . . 67 L CB . 51384 1
284 . 1 . 1 67 67 LEU N N 15 129.250 0.01 . 1 . . . . . 67 L N . 51384 1
285 . 1 . 1 68 68 GLY H H 1 8.518 0.005 . 1 . . . . . 68 G HN . 51384 1
286 . 1 . 1 68 68 GLY C C 13 172.470 0.03 . 1 . . . . . 68 G C . 51384 1
287 . 1 . 1 68 68 GLY CA C 13 43.612 0.03 . 1 . . . . . 68 G CA . 51384 1
288 . 1 . 1 68 68 GLY N N 15 111.329 0.01 . 1 . . . . . 68 G N . 51384 1
289 . 1 . 1 69 69 ASN H H 1 7.527 0.005 . 1 . . . . . 69 N HN . 51384 1
290 . 1 . 1 69 69 ASN C C 13 179.223 0.03 . 1 . . . . . 69 N C . 51384 1
291 . 1 . 1 69 69 ASN CA C 13 54.949 0.03 . 1 . . . . . 69 N CA . 51384 1
292 . 1 . 1 69 69 ASN CB C 13 41.467 0.04 . 1 . . . . . 69 N CB . 51384 1
293 . 1 . 1 69 69 ASN N N 15 122.516 0.01 . 1 . . . . . 69 N N . 51384 1
294 . 1 . 1 70 70 GLY H H 1 8.343 0.005 . 1 . . . . . 70 G HN . 51384 1
295 . 1 . 1 70 70 GLY C C 13 174.837 0.03 . 1 . . . . . 70 G C . 51384 1
296 . 1 . 1 70 70 GLY CA C 13 45.500 0.03 . 1 . . . . . 70 G CA . 51384 1
297 . 1 . 1 70 70 GLY N N 15 114.460 0.01 . 1 . . . . . 70 G N . 51384 1
298 . 1 . 1 71 71 SER H H 1 8.451 0.005 . 1 . . . . . 71 S HN . 51384 1
299 . 1 . 1 71 71 SER C C 13 175.414 0.03 . 1 . . . . . 71 S C . 51384 1
300 . 1 . 1 71 71 SER CA C 13 59.050 0.03 . 1 . . . . . 71 S CA . 51384 1
301 . 1 . 1 71 71 SER CB C 13 63.406 0.04 . 1 . . . . . 71 S CB . 51384 1
302 . 1 . 1 71 71 SER N N 15 116.076 0.01 . 1 . . . . . 71 S N . 51384 1
303 . 1 . 1 72 72 GLY H H 1 8.641 0.005 . 1 . . . . . 72 G HN . 51384 1
304 . 1 . 1 72 72 GLY C C 13 174.625 0.03 . 1 . . . . . 72 G C . 51384 1
305 . 1 . 1 72 72 GLY CA C 13 45.513 0.03 . 1 . . . . . 72 G CA . 51384 1
306 . 1 . 1 72 72 GLY N N 15 111.399 0.01 . 1 . . . . . 72 G N . 51384 1
307 . 1 . 1 73 73 SER C C 13 174.808 0.03 . 1 . . . . . 73 S C . 51384 1
308 . 1 . 1 73 73 SER CA C 13 58.660 0.03 . 1 . . . . . 73 S CA . 51384 1
309 . 1 . 1 73 73 SER CB C 13 63.396 0.04 . 1 . . . . . 73 S CB . 51384 1
310 . 1 . 1 74 74 GLU H H 1 8.706 0.005 . 1 . . . . . 74 E HN . 51384 1
311 . 1 . 1 74 74 GLU C C 13 176.249 0.03 . 1 . . . . . 74 E C . 51384 1
312 . 1 . 1 74 74 GLU CA C 13 57.225 0.03 . 1 . . . . . 74 E CA . 51384 1
313 . 1 . 1 74 74 GLU CB C 13 30.222 0.04 . 1 . . . . . 74 E CB . 51384 1
314 . 1 . 1 74 74 GLU N N 15 122.376 0.01 . 1 . . . . . 74 E N . 51384 1
315 . 1 . 1 75 75 ASN H H 1 8.280 0.005 . 1 . . . . . 75 N HN . 51384 1
316 . 1 . 1 75 75 ASN C C 13 175.105 0.03 . 1 . . . . . 75 N C . 51384 1
317 . 1 . 1 75 75 ASN CA C 13 53.471 0.03 . 1 . . . . . 75 N CA . 51384 1
318 . 1 . 1 75 75 ASN CB C 13 38.952 0.04 . 1 . . . . . 75 N CB . 51384 1
319 . 1 . 1 75 75 ASN N N 15 118.464 0.01 . 1 . . . . . 75 N N . 51384 1
320 . 1 . 1 76 76 LEU H H 1 7.992 0.005 . 1 . . . . . 76 L HN . 51384 1
321 . 1 . 1 76 76 LEU C C 13 176.991 0.03 . 1 . . . . . 76 L C . 51384 1
322 . 1 . 1 76 76 LEU CA C 13 55.504 0.03 . 1 . . . . . 76 L CA . 51384 1
323 . 1 . 1 76 76 LEU CB C 13 42.370 0.04 . 1 . . . . . 76 L CB . 51384 1
324 . 1 . 1 76 76 LEU N N 15 121.766 0.01 . 1 . . . . . 76 L N . 51384 1
325 . 1 . 1 77 77 TYR H H 1 7.982 0.005 . 1 . . . . . 77 Y HN . 51384 1
326 . 1 . 1 77 77 TYR C C 13 175.551 0.03 . 1 . . . . . 77 Y C . 51384 1
327 . 1 . 1 77 77 TYR CA C 13 57.727 0.03 . 1 . . . . . 77 Y CA . 51384 1
328 . 1 . 1 77 77 TYR CB C 13 38.773 0.04 . 1 . . . . . 77 Y CB . 51384 1
329 . 1 . 1 77 77 TYR N N 15 119.194 0.01 . 1 . . . . . 77 Y N . 51384 1
330 . 1 . 1 78 78 PHE H H 1 7.974 0.005 . 1 . . . . . 78 F HN . 51384 1
331 . 1 . 1 78 78 PHE C C 13 175.562 0.03 . 1 . . . . . 78 F C . 51384 1
332 . 1 . 1 78 78 PHE CA C 13 57.552 0.03 . 1 . . . . . 78 F CA . 51384 1
333 . 1 . 1 78 78 PHE CB C 13 39.671 0.04 . 1 . . . . . 78 F CB . 51384 1
334 . 1 . 1 78 78 PHE N N 15 120.834 0.01 . 1 . . . . . 78 F N . 51384 1
335 . 1 . 1 79 79 GLN H H 1 8.265 0.005 . 1 . . . . . 79 Q HN . 51384 1
336 . 1 . 1 79 79 GLN C C 13 176.136 0.03 . 1 . . . . . 79 Q C . 51384 1
337 . 1 . 1 79 79 GLN CA C 13 55.936 0.03 . 1 . . . . . 79 Q CA . 51384 1
338 . 1 . 1 79 79 GLN CB C 13 29.574 0.04 . 1 . . . . . 79 Q CB . 51384 1
339 . 1 . 1 79 79 GLN N N 15 121.949 0.01 . 1 . . . . . 79 Q N . 51384 1
340 . 1 . 1 80 80 GLY H H 1 8.013 0.005 . 1 . . . . . 80 G HN . 51384 1
341 . 1 . 1 80 80 GLY C C 13 174.515 0.03 . 1 . . . . . 80 G C . 51384 1
342 . 1 . 1 80 80 GLY CA C 13 45.581 0.03 . 1 . . . . . 80 G CA . 51384 1
343 . 1 . 1 80 80 GLY N N 15 109.406 0.01 . 1 . . . . . 80 G N . 51384 1
344 . 1 . 1 81 81 GLY H H 1 8.182 0.005 . 1 . . . . . 81 G HN . 51384 1
345 . 1 . 1 81 81 GLY C C 13 174.220 0.03 . 1 . . . . . 81 G C . 51384 1
346 . 1 . 1 81 81 GLY CA C 13 45.454 0.03 . 1 . . . . . 81 G CA . 51384 1
347 . 1 . 1 81 81 GLY N N 15 108.500 0.01 . 1 . . . . . 81 G N . 51384 1
348 . 1 . 1 82 82 SER H H 1 7.888 0.005 . 1 . . . . . 82 S HN . 51384 1
349 . 1 . 1 82 82 SER C C 13 178.707 0.03 . 1 . . . . . 82 S C . 51384 1
350 . 1 . 1 82 82 SER CA C 13 59.693 0.03 . 1 . . . . . 82 S CA . 51384 1
351 . 1 . 1 82 82 SER CB C 13 64.583 0.04 . 1 . . . . . 82 S CB . 51384 1
352 . 1 . 1 82 82 SER N N 15 121.241 0.01 . 1 . . . . . 82 S N . 51384 1
353 . 1 . 1 83 83 TYR H H 1 8.175 0.005 . 1 . . . . . 83 Y HN . 51384 1
354 . 1 . 1 83 83 TYR C C 13 175.673 0.03 . 1 . . . . . 83 Y C . 51384 1
355 . 1 . 1 83 83 TYR CA C 13 55.979 0.03 . 1 . . . . . 83 Y CA . 51384 1
356 . 1 . 1 83 83 TYR CB C 13 38.967 0.04 . 1 . . . . . 83 Y CB . 51384 1
357 . 1 . 1 83 83 TYR N N 15 121.949 0.01 . 1 . . . . . 83 Y N . 51384 1
358 . 1 . 1 84 84 ALA H H 1 8.141 0.005 . 1 . . . . . 84 A HN . 51384 1
359 . 1 . 1 84 84 ALA C C 13 177.462 0.03 . 1 . . . . . 84 A C . 51384 1
360 . 1 . 1 84 84 ALA CA C 13 52.427 0.03 . 1 . . . . . 84 A CA . 51384 1
361 . 1 . 1 84 84 ALA CB C 13 19.567 0.04 . 1 . . . . . 84 A CB . 51384 1
362 . 1 . 1 84 84 ALA N N 15 124.928 0.01 . 1 . . . . . 84 A N . 51384 1
363 . 1 . 1 85 85 MET H H 1 8.189 0.005 . 1 . . . . . 85 M HN . 51384 1
364 . 1 . 1 85 85 MET C C 13 176.878 0.03 . 1 . . . . . 85 M C . 51384 1
365 . 1 . 1 85 85 MET CA C 13 55.763 0.03 . 1 . . . . . 85 M CA . 51384 1
366 . 1 . 1 85 85 MET CB C 13 33.080 0.04 . 1 . . . . . 85 M CB . 51384 1
367 . 1 . 1 85 85 MET N N 15 119.215 0.01 . 1 . . . . . 85 M N . 51384 1
368 . 1 . 1 86 86 GLY H H 1 8.042 0.005 . 1 . . . . . 86 G HN . 51384 1
369 . 1 . 1 86 86 GLY C C 13 175.477 0.03 . 1 . . . . . 86 G C . 51384 1
370 . 1 . 1 86 86 GLY N N 15 120.050 0.01 . 1 . . . . . 86 G N . 51384 1
371 . 1 . 1 87 87 SER H H 1 7.996 0.005 . 1 . . . . . 87 S HN . 51384 1
372 . 1 . 1 87 87 SER C C 13 178.578 0.03 . 1 . . . . . 87 S C . 51384 1
373 . 1 . 1 87 87 SER CA C 13 59.758 0.03 . 1 . . . . . 87 S CA . 51384 1
374 . 1 . 1 87 87 SER CB C 13 64.524 0.04 . 1 . . . . . 87 S CB . 51384 1
375 . 1 . 1 87 87 SER N N 15 122.812 0.01 . 1 . . . . . 87 S N . 51384 1
376 . 1 . 1 89 89 ARG C C 13 175.839 0.03 . 1 . . . . . 89 R C . 51384 1
377 . 1 . 1 89 89 ARG CA C 13 56.195 0.03 . 1 . . . . . 89 R CA . 51384 1
378 . 1 . 1 89 89 ARG CB C 13 30.663 0.04 . 1 . . . . . 89 R CB . 51384 1
379 . 1 . 1 90 90 ALA H H 1 8.129 0.005 . 1 . . . . . 90 A HN . 51384 1
380 . 1 . 1 90 90 ALA C C 13 177.532 0.03 . 1 . . . . . 90 A C . 51384 1
381 . 1 . 1 90 90 ALA CA C 13 52.657 0.03 . 1 . . . . . 90 A CA . 51384 1
382 . 1 . 1 90 90 ALA CB C 13 19.646 0.04 . 1 . . . . . 90 A CB . 51384 1
383 . 1 . 1 90 90 ALA N N 15 123.902 0.01 . 1 . . . . . 90 A N . 51384 1
384 . 1 . 1 91 91 PHE H H 1 8.129 0.005 . 1 . . . . . 91 F HN . 51384 1
385 . 1 . 1 91 91 PHE C C 13 176.040 0.03 . 1 . . . . . 91 F C . 51384 1
386 . 1 . 1 91 91 PHE CA C 13 57.766 0.03 . 1 . . . . . 91 F CA . 51384 1
387 . 1 . 1 91 91 PHE CB C 13 39.690 0.04 . 1 . . . . . 91 F CB . 51384 1
388 . 1 . 1 91 91 PHE N N 15 118.828 0.01 . 1 . . . . . 91 F N . 51384 1
389 . 1 . 1 92 92 THR H H 1 8.051 0.005 . 1 . . . . . 92 T HN . 51384 1
390 . 1 . 1 92 92 THR C C 13 175.458 0.03 . 1 . . . . . 92 T C . 51384 1
391 . 1 . 1 92 92 THR CA C 13 53.855 0.03 . 1 . . . . . 92 T CA . 51384 1
392 . 1 . 1 92 92 THR N N 15 115.460 0.01 . 1 . . . . . 92 T N . 51384 1
393 . 1 . 1 93 93 ASN H H 1 7.987 0.005 . 1 . . . . . 93 N HN . 51384 1
394 . 1 . 1 93 93 ASN C C 13 172.865 0.03 . 1 . . . . . 93 N C . 51384 1
395 . 1 . 1 93 93 ASN CA C 13 56.590 0.03 . 1 . . . . . 93 N CA . 51384 1
396 . 1 . 1 93 93 ASN CB C 13 33.954 0.04 . 1 . . . . . 93 N CB . 51384 1
397 . 1 . 1 93 93 ASN N N 15 121.200 0.01 . 1 . . . . . 93 N N . 51384 1
398 . 1 . 1 94 94 SER C C 13 175.533 0.03 . 1 . . . . . 94 S C . 51384 1
399 . 1 . 1 94 94 SER CA C 13 56.175 0.03 . 1 . . . . . 94 S CA . 51384 1
400 . 1 . 1 94 94 SER CB C 13 63.676 0.04 . 1 . . . . . 94 S CB . 51384 1
401 . 1 . 1 95 95 LYS H H 1 7.957 0.005 . 1 . . . . . 95 K HN . 51384 1
402 . 1 . 1 95 95 LYS C C 13 181.315 0.03 . 1 . . . . . 95 K C . 51384 1
403 . 1 . 1 95 95 LYS CA C 13 57.617 0.03 . 1 . . . . . 95 K CA . 51384 1
404 . 1 . 1 95 95 LYS CB C 13 33.015 0.04 . 1 . . . . . 95 K CB . 51384 1
405 . 1 . 1 95 95 LYS N N 15 128.136 0.01 . 1 . . . . . 95 K N . 51384 1
406 . 1 . 1 96 96 LYS H H 1 8.204 0.005 . 1 . . . . . 96 K HN . 51384 1
407 . 1 . 1 96 96 LYS C C 13 174.458 0.03 . 1 . . . . . 96 K C . 51384 1
408 . 1 . 1 96 96 LYS CA C 13 55.313 0.03 . 1 . . . . . 96 K CA . 51384 1
409 . 1 . 1 96 96 LYS N N 15 118.246 0.01 . 1 . . . . . 96 K N . 51384 1
410 . 1 . 1 97 97 SER H H 1 8.173 0.005 . 1 . . . . . 97 S HN . 51384 1
411 . 1 . 1 97 97 SER C C 13 176.334 0.03 . 1 . . . . . 97 S C . 51384 1
412 . 1 . 1 97 97 SER CA C 13 54.415 0.03 . 1 . . . . . 97 S CA . 51384 1
413 . 1 . 1 97 97 SER CB C 13 65.281 0.04 . 1 . . . . . 97 S CB . 51384 1
414 . 1 . 1 97 97 SER N N 15 121.853 0.01 . 1 . . . . . 97 S N . 51384 1
415 . 1 . 1 98 98 VAL H H 1 8.253 0.005 . 1 . . . . . 98 V HN . 51384 1
416 . 1 . 1 98 98 VAL C C 13 176.067 0.03 . 1 . . . . . 98 V C . 51384 1
417 . 1 . 1 98 98 VAL CA C 13 56.350 0.03 . 1 . . . . . 98 V CA . 51384 1
418 . 1 . 1 98 98 VAL CB C 13 33.148 0.04 . 1 . . . . . 98 V CB . 51384 1
419 . 1 . 1 98 98 VAL N N 15 122.019 0.01 . 1 . . . . . 98 V N . 51384 1
420 . 1 . 1 99 99 THR H H 1 8.230 0.005 . 1 . . . . . 99 T HN . 51384 1
421 . 1 . 1 99 99 THR C C 13 174.460 0.03 . 1 . . . . . 99 T C . 51384 1
422 . 1 . 1 99 99 THR CA C 13 62.027 0.03 . 1 . . . . . 99 T CA . 51384 1
423 . 1 . 1 99 99 THR CB C 13 69.210 0.04 . 1 . . . . . 99 T CB . 51384 1
424 . 1 . 1 99 99 THR N N 15 116.302 0.01 . 1 . . . . . 99 T N . 51384 1
425 . 1 . 1 100 100 LEU H H 1 8.204 0.005 . 1 . . . . . 100 L HN . 51384 1
426 . 1 . 1 100 100 LEU C C 13 177.066 0.03 . 1 . . . . . 100 L C . 51384 1
427 . 1 . 1 100 100 LEU CA C 13 55.190 0.03 . 1 . . . . . 100 L CA . 51384 1
428 . 1 . 1 100 100 LEU CB C 13 42.441 0.04 . 1 . . . . . 100 L CB . 51384 1
429 . 1 . 1 100 100 LEU N N 15 125.114 0.01 . 1 . . . . . 100 L N . 51384 1
430 . 1 . 1 101 101 ARG H H 1 8.200 0.005 . 1 . . . . . 101 R HN . 51384 1
431 . 1 . 1 101 101 ARG C C 13 176.106 0.03 . 1 . . . . . 101 R C . 51384 1
432 . 1 . 1 101 101 ARG CA C 13 55.980 0.03 . 1 . . . . . 101 R CA . 51384 1
433 . 1 . 1 101 101 ARG CB C 13 30.976 0.04 . 1 . . . . . 101 R CB . 51384 1
434 . 1 . 1 101 101 ARG N N 15 122.030 0.01 . 1 . . . . . 101 R N . 51384 1
435 . 1 . 1 102 102 LYS H H 1 8.269 0.005 . 1 . . . . . 102 K HN . 51384 1
436 . 1 . 1 102 102 LYS C C 13 176.460 0.03 . 1 . . . . . 102 K C . 51384 1
437 . 1 . 1 102 102 LYS CA C 13 54.947 0.03 . 1 . . . . . 102 K CA . 51384 1
438 . 1 . 1 102 102 LYS CB C 13 33.438 0.04 . 1 . . . . . 102 K CB . 51384 1
439 . 1 . 1 102 102 LYS N N 15 122.583 0.01 . 1 . . . . . 102 K N . 51384 1
440 . 1 . 1 103 103 LYS H H 1 8.440 0.005 . 1 . . . . . 103 K HN . 51384 1
441 . 1 . 1 103 103 LYS C C 13 175.508 0.03 . 1 . . . . . 103 K C . 51384 1
442 . 1 . 1 103 103 LYS CA C 13 55.723 0.03 . 1 . . . . . 103 K CA . 51384 1
443 . 1 . 1 103 103 LYS CB C 13 36.782 0.04 . 1 . . . . . 103 K CB . 51384 1
444 . 1 . 1 103 103 LYS N N 15 123.132 0.01 . 1 . . . . . 103 K N . 51384 1
445 . 1 . 1 104 104 THR H H 1 8.391 0.005 . 1 . . . . . 104 T HN . 51384 1
446 . 1 . 1 104 104 THR C C 13 174.358 0.03 . 1 . . . . . 104 T C . 51384 1
447 . 1 . 1 104 104 THR N N 15 110.020 0.01 . 1 . . . . . 104 T N . 51384 1
448 . 1 . 1 105 105 LYS H H 1 8.441 0.005 . 1 . . . . . 105 K HN . 51384 1
449 . 1 . 1 105 105 LYS C C 13 174.446 0.03 . 1 . . . . . 105 K C . 51384 1
450 . 1 . 1 105 105 LYS N N 15 124.148 0.01 . 1 . . . . . 105 K N . 51384 1
451 . 1 . 1 106 106 SER H H 1 8.186 0.005 . 1 . . . . . 106 S HN . 51384 1
452 . 1 . 1 106 106 SER C C 13 174.715 0.03 . 1 . . . . . 106 S C . 51384 1
453 . 1 . 1 106 106 SER CA C 13 58.474 0.03 . 1 . . . . . 106 S CA . 51384 1
454 . 1 . 1 106 106 SER CB C 13 63.491 0.04 . 1 . . . . . 106 S CB . 51384 1
455 . 1 . 1 106 106 SER N N 15 115.632 0.01 . 1 . . . . . 106 S N . 51384 1
456 . 1 . 1 107 107 LYS H H 1 8.260 0.005 . 1 . . . . . 107 K HN . 51384 1
457 . 1 . 1 107 107 LYS C C 13 176.609 0.03 . 1 . . . . . 107 K C . 51384 1
458 . 1 . 1 107 107 LYS N N 15 122.724 0.01 . 1 . . . . . 107 K N . 51384 1
stop_
save_