Content for NMR-STAR saveframe, "IN_Y15A"
save_IN_Y15A
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode IN_Y15A
_Assigned_chem_shift_list.Entry_ID 10015
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $condition_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_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 '1H-15N HSQC' 1 $y15a isotropic 10015 1
2 '1H-13C HSQC' 1 $y15a isotropic 10015 1
3 HBHACONH 1 $y15a isotropic 10015 1
4 HNCA 1 $y15a isotropic 10015 1
5 HN(CO)CA 1 $y15a isotropic 10015 1
6 CBCANH 1 $y15a isotropic 10015 1
7 CBCA(CO)NH 1 $y15a isotropic 10015 1
8 HNCO 1 $y15a isotropic 10015 1
9 HNCACO 1 $y15a isotropic 10015 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 PHE H H 1 8.492 0.02 . 1 . . . . 1 PHE H . 10015 1
2 . 1 1 1 1 PHE HA H 1 4.604 0.02 . 1 . . . . 1 PHE HA . 10015 1
3 . 1 1 1 1 PHE CA C 13 55.542 0.3 . 1 . . . . 1 PHE CA . 10015 1
4 . 1 1 1 1 PHE CB C 13 37.001 0.3 . 1 . . . . 1 PHE CB . 10015 1
5 . 1 1 1 1 PHE N N 15 122.285 0.3 . 1 . . . . 1 PHE N . 10015 1
6 . 1 1 2 2 LEU H H 1 8.235 0.02 . 1 . . . . 2 LEU H . 10015 1
7 . 1 1 2 2 LEU HA H 1 4.247 0.02 . 1 . . . . 2 LEU HA . 10015 1
8 . 1 1 2 2 LEU HB2 H 1 1.538 0.02 . 1 . . . . 2 LEU HB2 . 10015 1
9 . 1 1 2 2 LEU HB3 H 1 1.538 0.02 . 1 . . . . 2 LEU HB3 . 10015 1
10 . 1 1 2 2 LEU CA C 13 52.993 0.3 . 1 . . . . 2 LEU CA . 10015 1
11 . 1 1 2 2 LEU CB C 13 39.731 0.3 . 1 . . . . 2 LEU CB . 10015 1
12 . 1 1 2 2 LEU N N 15 122.81 0.3 . 1 . . . . 2 LEU N . 10015 1
13 . 1 1 3 3 ASP H H 1 8.101 0.02 . 1 . . . . 3 ASP H . 10015 1
14 . 1 1 3 3 ASP HA H 1 4.516 0.02 . 1 . . . . 3 ASP HA . 10015 1
15 . 1 1 3 3 ASP HB2 H 1 2.648 0.02 . 1 . . . . 3 ASP HB2 . 10015 1
16 . 1 1 3 3 ASP HB3 H 1 2.648 0.02 . 1 . . . . 3 ASP HB3 . 10015 1
17 . 1 1 3 3 ASP CA C 13 52.155 0.3 . 1 . . . . 3 ASP CA . 10015 1
18 . 1 1 3 3 ASP CB C 13 38.819 0.3 . 1 . . . . 3 ASP CB . 10015 1
19 . 1 1 3 3 ASP N N 15 120.242 0.3 . 1 . . . . 3 ASP N . 10015 1
20 . 1 1 4 4 GLY H H 1 8.226 0.02 . 1 . . . . 4 GLY H . 10015 1
21 . 1 1 4 4 GLY HA2 H 1 3.963 0.02 . 1 . . . . 4 GLY HA2 . 10015 1
22 . 1 1 4 4 GLY HA3 H 1 3.963 0.02 . 1 . . . . 4 GLY HA3 . 10015 1
23 . 1 1 4 4 GLY CA C 13 43.02 0.3 . 1 . . . . 4 GLY CA . 10015 1
24 . 1 1 4 4 GLY N N 15 108.27 0.3 . 1 . . . . 4 GLY N . 10015 1
25 . 1 1 5 5 ILE H H 1 7.874 0.02 . 1 . . . . 5 ILE H . 10015 1
26 . 1 1 5 5 ILE HA H 1 3.965 0.02 . 1 . . . . 5 ILE HA . 10015 1
27 . 1 1 5 5 ILE HB H 1 1.798 0.02 . 1 . . . . 5 ILE HB . 10015 1
28 . 1 1 5 5 ILE CA C 13 58.229 0.3 . 1 . . . . 5 ILE CA . 10015 1
29 . 1 1 5 5 ILE CB C 13 36.3 0.3 . 1 . . . . 5 ILE CB . 10015 1
30 . 1 1 5 5 ILE N N 15 119.531 0.3 . 1 . . . . 5 ILE N . 10015 1
31 . 1 1 6 6 ASP H H 1 8.293 0.02 . 1 . . . . 6 ASP H . 10015 1
32 . 1 1 6 6 ASP HA H 1 4.391 0.02 . 1 . . . . 6 ASP HA . 10015 1
33 . 1 1 6 6 ASP HB2 H 1 2.676 0.02 . 1 . . . . 6 ASP HB2 . 10015 1
34 . 1 1 6 6 ASP HB3 H 1 2.676 0.02 . 1 . . . . 6 ASP HB3 . 10015 1
35 . 1 1 6 6 ASP C C 13 176.728 0.3 . 1 . . . . 6 ASP C . 10015 1
36 . 1 1 6 6 ASP CA C 13 54.99 0.3 . 1 . . . . 6 ASP CA . 10015 1
37 . 1 1 6 6 ASP CB C 13 37.448 0.3 . 1 . . . . 6 ASP CB . 10015 1
38 . 1 1 6 6 ASP N N 15 118.987 0.3 . 1 . . . . 6 ASP N . 10015 1
39 . 1 1 7 7 LYS H H 1 7.648 0.02 . 1 . . . . 7 LYS H . 10015 1
40 . 1 1 7 7 LYS HA H 1 3.965 0.02 . 1 . . . . 7 LYS HA . 10015 1
41 . 1 1 7 7 LYS HB2 H 1 1.767 0.02 . 1 . . . . 7 LYS HB2 . 10015 1
42 . 1 1 7 7 LYS HB3 H 1 1.767 0.02 . 1 . . . . 7 LYS HB3 . 10015 1
43 . 1 1 7 7 LYS C C 13 176.247 0.3 . 1 . . . . 7 LYS C . 10015 1
44 . 1 1 7 7 LYS CA C 13 55.886 0.3 . 1 . . . . 7 LYS CA . 10015 1
45 . 1 1 7 7 LYS CB C 13 29.781 0.3 . 1 . . . . 7 LYS CB . 10015 1
46 . 1 1 7 7 LYS N N 15 119.443 0.3 . 1 . . . . 7 LYS N . 10015 1
47 . 1 1 8 8 ALA H H 1 7.849 0.02 . 1 . . . . 8 ALA H . 10015 1
48 . 1 1 8 8 ALA HA H 1 2.982 0.02 . 1 . . . . 8 ALA HA . 10015 1
49 . 1 1 8 8 ALA HB1 H 1 1.053 0.02 . 1 . . . . 8 ALA HB1 . 10015 1
50 . 1 1 8 8 ALA HB2 H 1 1.053 0.02 . 1 . . . . 8 ALA HB2 . 10015 1
51 . 1 1 8 8 ALA HB3 H 1 1.053 0.02 . 1 . . . . 8 ALA HB3 . 10015 1
52 . 1 1 8 8 ALA C C 13 176.893 0.3 . 1 . . . . 8 ALA C . 10015 1
53 . 1 1 8 8 ALA CA C 13 52.383 0.3 . 1 . . . . 8 ALA CA . 10015 1
54 . 1 1 8 8 ALA CB C 13 16.561 0.3 . 1 . . . . 8 ALA CB . 10015 1
55 . 1 1 8 8 ALA N N 15 123.655 0.3 . 1 . . . . 8 ALA N . 10015 1
56 . 1 1 9 9 GLN H H 1 8.389 0.02 . 1 . . . . 9 GLN H . 10015 1
57 . 1 1 9 9 GLN HA H 1 3.774 0.02 . 1 . . . . 9 GLN HA . 10015 1
58 . 1 1 9 9 GLN HB2 H 1 2.181 0.02 . 2 . . . . 9 GLN HB2 . 10015 1
59 . 1 1 9 9 GLN HB3 H 1 2.079 0.02 . 2 . . . . 9 GLN HB3 . 10015 1
60 . 1 1 9 9 GLN HE21 H 1 7.4 0.02 . 1 . . . . 9 GLN HE21 . 10015 1
61 . 1 1 9 9 GLN HE22 H 1 6.887 0.02 . 1 . . . . 9 GLN HE22 . 10015 1
62 . 1 1 9 9 GLN C C 13 176.138 0.3 . 1 . . . . 9 GLN C . 10015 1
63 . 1 1 9 9 GLN CA C 13 57.402 0.3 . 1 . . . . 9 GLN CA . 10015 1
64 . 1 1 9 9 GLN CB C 13 26.192 0.3 . 1 . . . . 9 GLN CB . 10015 1
65 . 1 1 9 9 GLN N N 15 117.127 0.3 . 1 . . . . 9 GLN N . 10015 1
66 . 1 1 9 9 GLN NE2 N 15 111.169 0.3 . 1 . . . . 9 GLN NE2 . 10015 1
67 . 1 1 10 10 GLU H H 1 7.863 0.02 . 1 . . . . 10 GLU H . 10015 1
68 . 1 1 10 10 GLU HA H 1 3.981 0.02 . 1 . . . . 10 GLU HA . 10015 1
69 . 1 1 10 10 GLU HB2 H 1 2.091 0.02 . 1 . . . . 10 GLU HB2 . 10015 1
70 . 1 1 10 10 GLU HB3 H 1 2.091 0.02 . 1 . . . . 10 GLU HB3 . 10015 1
71 . 1 1 10 10 GLU C C 13 176.711 0.3 . 1 . . . . 10 GLU C . 10015 1
72 . 1 1 10 10 GLU CA C 13 56.611 0.3 . 1 . . . . 10 GLU CA . 10015 1
73 . 1 1 10 10 GLU CB C 13 27.117 0.3 . 1 . . . . 10 GLU CB . 10015 1
74 . 1 1 10 10 GLU N N 15 119.47 0.3 . 1 . . . . 10 GLU N . 10015 1
75 . 1 1 11 11 GLU H H 1 8.046 0.02 . 1 . . . . 11 GLU H . 10015 1
76 . 1 1 11 11 GLU HA H 1 4.089 0.02 . 1 . . . . 11 GLU HA . 10015 1
77 . 1 1 11 11 GLU HB2 H 1 2.064 0.02 . 1 . . . . 11 GLU HB2 . 10015 1
78 . 1 1 11 11 GLU HB3 H 1 2.064 0.02 . 1 . . . . 11 GLU HB3 . 10015 1
79 . 1 1 11 11 GLU C C 13 177.094 0.3 . 1 . . . . 11 GLU C . 10015 1
80 . 1 1 11 11 GLU CA C 13 56.318 0.3 . 1 . . . . 11 GLU CA . 10015 1
81 . 1 1 11 11 GLU CB C 13 26.968 0.3 . 1 . . . . 11 GLU CB . 10015 1
82 . 1 1 11 11 GLU N N 15 119.281 0.3 . 1 . . . . 11 GLU N . 10015 1
83 . 1 1 12 12 HIS H H 1 9.056 0.02 . 1 . . . . 12 HIS H . 10015 1
84 . 1 1 12 12 HIS HA H 1 3.584 0.02 . 1 . . . . 12 HIS HA . 10015 1
85 . 1 1 12 12 HIS HB2 H 1 3.148 0.02 . 1 . . . . 12 HIS HB2 . 10015 1
86 . 1 1 12 12 HIS HB3 H 1 3.148 0.02 . 1 . . . . 12 HIS HB3 . 10015 1
87 . 1 1 12 12 HIS HD1 H 1 11.738 0.02 . 1 . . . . 12 HIS HD1 . 10015 1
88 . 1 1 12 12 HIS C C 13 173.475 0.3 . 1 . . . . 12 HIS C . 10015 1
89 . 1 1 12 12 HIS CA C 13 57.962 0.3 . 1 . . . . 12 HIS CA . 10015 1
90 . 1 1 12 12 HIS CB C 13 25.411 0.3 . 1 . . . . 12 HIS CB . 10015 1
91 . 1 1 12 12 HIS N N 15 120.089 0.3 . 1 . . . . 12 HIS N . 10015 1
92 . 1 1 12 12 HIS ND1 N 15 171.032 0.3 . 1 . . . . 12 HIS ND1 . 10015 1
93 . 1 1 13 13 GLU H H 1 7.878 0.02 . 1 . . . . 13 GLU H . 10015 1
94 . 1 1 13 13 GLU HA H 1 3.617 0.02 . 1 . . . . 13 GLU HA . 10015 1
95 . 1 1 13 13 GLU HB2 H 1 2.067 0.02 . 1 . . . . 13 GLU HB2 . 10015 1
96 . 1 1 13 13 GLU HB3 H 1 2.067 0.02 . 1 . . . . 13 GLU HB3 . 10015 1
97 . 1 1 13 13 GLU C C 13 174.313 0.3 . 1 . . . . 13 GLU C . 10015 1
98 . 1 1 13 13 GLU CA C 13 56.074 0.3 . 1 . . . . 13 GLU CA . 10015 1
99 . 1 1 13 13 GLU CB C 13 27.006 0.3 . 1 . . . . 13 GLU CB . 10015 1
100 . 1 1 13 13 GLU N N 15 116.149 0.3 . 1 . . . . 13 GLU N . 10015 1
101 . 1 1 14 14 LYS H H 1 6.998 0.02 . 1 . . . . 14 LYS H . 10015 1
102 . 1 1 14 14 LYS HA H 1 4.149 0.02 . 1 . . . . 14 LYS HA . 10015 1
103 . 1 1 14 14 LYS HB2 H 1 1.828 0.02 . 1 . . . . 14 LYS HB2 . 10015 1
104 . 1 1 14 14 LYS HB3 H 1 1.828 0.02 . 1 . . . . 14 LYS HB3 . 10015 1
105 . 1 1 14 14 LYS C C 13 175.411 0.3 . 1 . . . . 14 LYS C . 10015 1
106 . 1 1 14 14 LYS CA C 13 56.195 0.3 . 1 . . . . 14 LYS CA . 10015 1
107 . 1 1 14 14 LYS CB C 13 30.9 0.3 . 1 . . . . 14 LYS CB . 10015 1
108 . 1 1 14 14 LYS N N 15 114.193 0.3 . 1 . . . . 14 LYS N . 10015 1
109 . 1 1 15 15 ALA H H 1 8.053 0.02 . 1 . . . . 15 ALA H . 10015 1
110 . 1 1 15 15 ALA HA H 1 4.517 0.02 . 1 . . . . 15 ALA HA . 10015 1
111 . 1 1 15 15 ALA HB1 H 1 1.295 0.02 . 1 . . . . 15 ALA HB1 . 10015 1
112 . 1 1 15 15 ALA HB2 H 1 1.295 0.02 . 1 . . . . 15 ALA HB2 . 10015 1
113 . 1 1 15 15 ALA HB3 H 1 1.295 0.02 . 1 . . . . 15 ALA HB3 . 10015 1
114 . 1 1 15 15 ALA C C 13 174.685 0.3 . 1 . . . . 15 ALA C . 10015 1
115 . 1 1 15 15 ALA CA C 13 49.889 0.3 . 1 . . . . 15 ALA CA . 10015 1
116 . 1 1 15 15 ALA CB C 13 18.357 0.3 . 1 . . . . 15 ALA CB . 10015 1
117 . 1 1 15 15 ALA N N 15 119.013 0.3 . 1 . . . . 15 ALA N . 10015 1
118 . 1 1 16 16 HIS H H 1 8.521 0.02 . 1 . . . . 16 HIS H . 10015 1
119 . 1 1 16 16 HIS HA H 1 1.929 0.02 . 1 . . . . 16 HIS HA . 10015 1
120 . 1 1 16 16 HIS HB2 H 1 2.824 0.02 . 1 . . . . 16 HIS HB2 . 10015 1
121 . 1 1 16 16 HIS HB3 H 1 2.824 0.02 . 1 . . . . 16 HIS HB3 . 10015 1
122 . 1 1 16 16 HIS C C 13 171.683 0.3 . 1 . . . . 16 HIS C . 10015 1
123 . 1 1 16 16 HIS CA C 13 54.317 0.3 . 1 . . . . 16 HIS CA . 10015 1
124 . 1 1 16 16 HIS CB C 13 25.205 0.3 . 1 . . . . 16 HIS CB . 10015 1
125 . 1 1 16 16 HIS N N 15 116.755 0.3 . 1 . . . . 16 HIS N . 10015 1
126 . 1 1 17 17 SER H H 1 6.855 0.02 . 1 . . . . 17 SER H . 10015 1
127 . 1 1 17 17 SER HA H 1 4.262 0.02 . 1 . . . . 17 SER HA . 10015 1
128 . 1 1 17 17 SER HB2 H 1 3.974 0.02 . 2 . . . . 17 SER HB2 . 10015 1
129 . 1 1 17 17 SER HB3 H 1 3.747 0.02 . 2 . . . . 17 SER HB3 . 10015 1
130 . 1 1 17 17 SER C C 13 171.174 0.3 . 1 . . . . 17 SER C . 10015 1
131 . 1 1 17 17 SER CA C 13 56.062 0.3 . 1 . . . . 17 SER CA . 10015 1
132 . 1 1 17 17 SER CB C 13 60.987 0.3 . 1 . . . . 17 SER CB . 10015 1
133 . 1 1 17 17 SER N N 15 110.84 0.3 . 1 . . . . 17 SER N . 10015 1
134 . 1 1 18 18 ASN H H 1 8.414 0.02 . 1 . . . . 18 ASN H . 10015 1
135 . 1 1 18 18 ASN HA H 1 4.759 0.02 . 1 . . . . 18 ASN HA . 10015 1
136 . 1 1 18 18 ASN HB2 H 1 3.291 0.02 . 2 . . . . 18 ASN HB2 . 10015 1
137 . 1 1 18 18 ASN HB3 H 1 2.985 0.02 . 2 . . . . 18 ASN HB3 . 10015 1
138 . 1 1 18 18 ASN C C 13 173.479 0.3 . 1 . . . . 18 ASN C . 10015 1
139 . 1 1 18 18 ASN CA C 13 50.345 0.3 . 1 . . . . 18 ASN CA . 10015 1
140 . 1 1 18 18 ASN CB C 13 36.732 0.3 . 1 . . . . 18 ASN CB . 10015 1
141 . 1 1 18 18 ASN N N 15 119.223 0.3 . 1 . . . . 18 ASN N . 10015 1
142 . 1 1 19 19 TRP H H 1 8.969 0.02 . 1 . . . . 19 TRP H . 10015 1
143 . 1 1 19 19 TRP HA H 1 4.089 0.02 . 1 . . . . 19 TRP HA . 10015 1
144 . 1 1 19 19 TRP HB2 H 1 3.15 0.02 . 1 . . . . 19 TRP HB2 . 10015 1
145 . 1 1 19 19 TRP HB3 H 1 3.15 0.02 . 1 . . . . 19 TRP HB3 . 10015 1
146 . 1 1 19 19 TRP C C 13 174.806 0.3 . 1 . . . . 19 TRP C . 10015 1
147 . 1 1 19 19 TRP CA C 13 57.91 0.3 . 1 . . . . 19 TRP CA . 10015 1
148 . 1 1 19 19 TRP CB C 13 25.653 0.3 . 1 . . . . 19 TRP CB . 10015 1
149 . 1 1 19 19 TRP N N 15 117.387 0.3 . 1 . . . . 19 TRP N . 10015 1
150 . 1 1 20 20 ARG H H 1 6.875 0.02 . 1 . . . . 20 ARG H . 10015 1
151 . 1 1 20 20 ARG HA H 1 3.198 0.02 . 1 . . . . 20 ARG HA . 10015 1
152 . 1 1 20 20 ARG HB2 H 1 1.186 0.02 . 1 . . . . 20 ARG HB2 . 10015 1
153 . 1 1 20 20 ARG HB3 H 1 1.186 0.02 . 1 . . . . 20 ARG HB3 . 10015 1
154 . 1 1 20 20 ARG C C 13 176.861 0.3 . 1 . . . . 20 ARG C . 10015 1
155 . 1 1 20 20 ARG CA C 13 57.292 0.3 . 1 . . . . 20 ARG CA . 10015 1
156 . 1 1 20 20 ARG CB C 13 26.872 0.3 . 1 . . . . 20 ARG CB . 10015 1
157 . 1 1 20 20 ARG N N 15 122.892 0.3 . 1 . . . . 20 ARG N . 10015 1
158 . 1 1 21 21 ALA H H 1 7.662 0.02 . 1 . . . . 21 ALA H . 10015 1
159 . 1 1 21 21 ALA HA H 1 4.048 0.02 . 1 . . . . 21 ALA HA . 10015 1
160 . 1 1 21 21 ALA HB1 H 1 1.393 0.02 . 1 . . . . 21 ALA HB1 . 10015 1
161 . 1 1 21 21 ALA HB2 H 1 1.393 0.02 . 1 . . . . 21 ALA HB2 . 10015 1
162 . 1 1 21 21 ALA HB3 H 1 1.393 0.02 . 1 . . . . 21 ALA HB3 . 10015 1
163 . 1 1 21 21 ALA C C 13 176.854 0.3 . 1 . . . . 21 ALA C . 10015 1
164 . 1 1 21 21 ALA CA C 13 52.043 0.3 . 1 . . . . 21 ALA CA . 10015 1
165 . 1 1 21 21 ALA CB C 13 15.583 0.3 . 1 . . . . 21 ALA CB . 10015 1
166 . 1 1 21 21 ALA N N 15 123.282 0.3 . 1 . . . . 21 ALA N . 10015 1
167 . 1 1 22 22 MET H H 1 7.891 0.02 . 1 . . . . 22 MET H . 10015 1
168 . 1 1 22 22 MET HA H 1 4.357 0.02 . 1 . . . . 22 MET HA . 10015 1
169 . 1 1 22 22 MET HB2 H 1 2.475 0.02 . 2 . . . . 22 MET HB2 . 10015 1
170 . 1 1 22 22 MET HB3 H 1 2.343 0.02 . 2 . . . . 22 MET HB3 . 10015 1
171 . 1 1 22 22 MET C C 13 176.333 0.3 . 1 . . . . 22 MET C . 10015 1
172 . 1 1 22 22 MET CA C 13 57.319 0.3 . 1 . . . . 22 MET CA . 10015 1
173 . 1 1 22 22 MET CB C 13 32.455 0.3 . 1 . . . . 22 MET CB . 10015 1
174 . 1 1 22 22 MET N N 15 114.717 0.3 . 1 . . . . 22 MET N . 10015 1
175 . 1 1 23 23 ALA H H 1 8.781 0.02 . 1 . . . . 23 ALA H . 10015 1
176 . 1 1 23 23 ALA HA H 1 4.141 0.02 . 1 . . . . 23 ALA HA . 10015 1
177 . 1 1 23 23 ALA HB1 H 1 1.623 0.02 . 1 . . . . 23 ALA HB1 . 10015 1
178 . 1 1 23 23 ALA HB2 H 1 1.623 0.02 . 1 . . . . 23 ALA HB2 . 10015 1
179 . 1 1 23 23 ALA HB3 H 1 1.623 0.02 . 1 . . . . 23 ALA HB3 . 10015 1
180 . 1 1 23 23 ALA C C 13 177.434 0.3 . 1 . . . . 23 ALA C . 10015 1
181 . 1 1 23 23 ALA CA C 13 53.549 0.3 . 1 . . . . 23 ALA CA . 10015 1
182 . 1 1 23 23 ALA CB C 13 15.264 0.3 . 1 . . . . 23 ALA CB . 10015 1
183 . 1 1 23 23 ALA N N 15 119.859 0.3 . 1 . . . . 23 ALA N . 10015 1
184 . 1 1 24 24 SER H H 1 7.526 0.02 . 1 . . . . 24 SER H . 10015 1
185 . 1 1 24 24 SER HA H 1 4.308 0.02 . 1 . . . . 24 SER HA . 10015 1
186 . 1 1 24 24 SER HB2 H 1 3.883 0.02 . 1 . . . . 24 SER HB2 . 10015 1
187 . 1 1 24 24 SER HB3 H 1 3.883 0.02 . 1 . . . . 24 SER HB3 . 10015 1
188 . 1 1 24 24 SER C C 13 174.776 0.3 . 1 . . . . 24 SER C . 10015 1
189 . 1 1 24 24 SER CA C 13 58.384 0.3 . 1 . . . . 24 SER CA . 10015 1
190 . 1 1 24 24 SER CB C 13 60.943 0.3 . 1 . . . . 24 SER CB . 10015 1
191 . 1 1 24 24 SER N N 15 109.458 0.3 . 1 . . . . 24 SER N . 10015 1
192 . 1 1 25 25 ASP H H 1 8.846 0.02 . 1 . . . . 25 ASP H . 10015 1
193 . 1 1 25 25 ASP HA H 1 4.139 0.02 . 1 . . . . 25 ASP HA . 10015 1
194 . 1 1 25 25 ASP HB2 H 1 2.365 0.02 . 1 . . . . 25 ASP HB2 . 10015 1
195 . 1 1 25 25 ASP HB3 H 1 2.365 0.02 . 1 . . . . 25 ASP HB3 . 10015 1
196 . 1 1 25 25 ASP C C 13 175.428 0.3 . 1 . . . . 25 ASP C . 10015 1
197 . 1 1 25 25 ASP CA C 13 54.725 0.3 . 1 . . . . 25 ASP CA . 10015 1
198 . 1 1 25 25 ASP CB C 13 37.773 0.3 . 1 . . . . 25 ASP CB . 10015 1
199 . 1 1 25 25 ASP N N 15 120.232 0.3 . 1 . . . . 25 ASP N . 10015 1
200 . 1 1 26 26 PHE H H 1 7.911 0.02 . 1 . . . . 26 PHE H . 10015 1
201 . 1 1 26 26 PHE HA H 1 4.679 0.02 . 1 . . . . 26 PHE HA . 10015 1
202 . 1 1 26 26 PHE HB2 H 1 3.414 0.02 . 2 . . . . 26 PHE HB2 . 10015 1
203 . 1 1 26 26 PHE HB3 H 1 2.74 0.02 . 2 . . . . 26 PHE HB3 . 10015 1
204 . 1 1 26 26 PHE C C 13 171.747 0.3 . 1 . . . . 26 PHE C . 10015 1
205 . 1 1 26 26 PHE CA C 13 55.019 0.3 . 1 . . . . 26 PHE CA . 10015 1
206 . 1 1 26 26 PHE CB C 13 36.105 0.3 . 1 . . . . 26 PHE CB . 10015 1
207 . 1 1 26 26 PHE N N 15 112.821 0.3 . 1 . . . . 26 PHE N . 10015 1
208 . 1 1 27 27 ASN H H 1 7.389 0.02 . 1 . . . . 27 ASN H . 10015 1
209 . 1 1 27 27 ASN HA H 1 4.482 0.02 . 1 . . . . 27 ASN HA . 10015 1
210 . 1 1 27 27 ASN HB2 H 1 3.155 0.02 . 2 . . . . 27 ASN HB2 . 10015 1
211 . 1 1 27 27 ASN HB3 H 1 2.72 0.02 . 2 . . . . 27 ASN HB3 . 10015 1
212 . 1 1 27 27 ASN C C 13 171.85 0.3 . 1 . . . . 27 ASN C . 10015 1
213 . 1 1 27 27 ASN CA C 13 51.793 0.3 . 1 . . . . 27 ASN CA . 10015 1
214 . 1 1 27 27 ASN CB C 13 34.573 0.3 . 1 . . . . 27 ASN CB . 10015 1
215 . 1 1 27 27 ASN N N 15 117.602 0.3 . 1 . . . . 27 ASN N . 10015 1
216 . 1 1 28 28 LEU H H 1 8.086 0.02 . 1 . . . . 28 LEU H . 10015 1
217 . 1 1 28 28 LEU CA C 13 48.584 0.3 . 1 . . . . 28 LEU CA . 10015 1
218 . 1 1 28 28 LEU CB C 13 42.107 0.3 . 1 . . . . 28 LEU CB . 10015 1
219 . 1 1 28 28 LEU N N 15 114.8 0.3 . 1 . . . . 28 LEU N . 10015 1
220 . 1 1 30 30 PRO HA H 1 3.997 0.02 . 1 . . . . 30 PRO HA . 10015 1
221 . 1 1 30 30 PRO HB2 H 1 1.891 0.02 . 1 . . . . 30 PRO HB2 . 10015 1
222 . 1 1 30 30 PRO HB3 H 1 1.891 0.02 . 1 . . . . 30 PRO HB3 . 10015 1
223 . 1 1 30 30 PRO C C 13 174.779 0.3 . 1 . . . . 30 PRO C . 10015 1
224 . 1 1 30 30 PRO CA C 13 64.26 0.3 . 1 . . . . 30 PRO CA . 10015 1
225 . 1 1 30 30 PRO CB C 13 29.703 0.3 . 1 . . . . 30 PRO CB . 10015 1
226 . 1 1 31 31 VAL H H 1 8.368 0.02 . 1 . . . . 31 VAL H . 10015 1
227 . 1 1 31 31 VAL HA H 1 3.734 0.02 . 1 . . . . 31 VAL HA . 10015 1
228 . 1 1 31 31 VAL HB H 1 2.127 0.02 . 1 . . . . 31 VAL HB . 10015 1
229 . 1 1 31 31 VAL C C 13 174.915 0.3 . 1 . . . . 31 VAL C . 10015 1
230 . 1 1 31 31 VAL CA C 13 62.973 0.3 . 1 . . . . 31 VAL CA . 10015 1
231 . 1 1 31 31 VAL CB C 13 29.24 0.3 . 1 . . . . 31 VAL CB . 10015 1
232 . 1 1 31 31 VAL N N 15 112.588 0.3 . 1 . . . . 31 VAL N . 10015 1
233 . 1 1 32 32 VAL H H 1 7.175 0.02 . 1 . . . . 32 VAL H . 10015 1
234 . 1 1 32 32 VAL HA H 1 3.713 0.02 . 1 . . . . 32 VAL HA . 10015 1
235 . 1 1 32 32 VAL HB H 1 2.1 0.02 . 1 . . . . 32 VAL HB . 10015 1
236 . 1 1 32 32 VAL C C 13 174.169 0.3 . 1 . . . . 32 VAL C . 10015 1
237 . 1 1 32 32 VAL CA C 13 63.075 0.3 . 1 . . . . 32 VAL CA . 10015 1
238 . 1 1 32 32 VAL CB C 13 29.339 0.3 . 1 . . . . 32 VAL CB . 10015 1
239 . 1 1 32 32 VAL N N 15 119.781 0.3 . 1 . . . . 32 VAL N . 10015 1
240 . 1 1 33 33 ALA H H 1 7.571 0.02 . 1 . . . . 33 ALA H . 10015 1
241 . 1 1 33 33 ALA HA H 1 3.887 0.02 . 1 . . . . 33 ALA HA . 10015 1
242 . 1 1 33 33 ALA HB1 H 1 1.78 0.02 . 1 . . . . 33 ALA HB1 . 10015 1
243 . 1 1 33 33 ALA HB2 H 1 1.78 0.02 . 1 . . . . 33 ALA HB2 . 10015 1
244 . 1 1 33 33 ALA HB3 H 1 1.78 0.02 . 1 . . . . 33 ALA HB3 . 10015 1
245 . 1 1 33 33 ALA C C 13 176.744 0.3 . 1 . . . . 33 ALA C . 10015 1
246 . 1 1 33 33 ALA CA C 13 53.297 0.3 . 1 . . . . 33 ALA CA . 10015 1
247 . 1 1 33 33 ALA CB C 13 17.466 0.3 . 1 . . . . 33 ALA CB . 10015 1
248 . 1 1 33 33 ALA N N 15 121.227 0.3 . 1 . . . . 33 ALA N . 10015 1
249 . 1 1 34 34 LYS H H 1 8.766 0.02 . 1 . . . . 34 LYS H . 10015 1
250 . 1 1 34 34 LYS HA H 1 3.682 0.02 . 1 . . . . 34 LYS HA . 10015 1
251 . 1 1 34 34 LYS HB2 H 1 2.099 0.02 . 1 . . . . 34 LYS HB2 . 10015 1
252 . 1 1 34 34 LYS HB3 H 1 2.099 0.02 . 1 . . . . 34 LYS HB3 . 10015 1
253 . 1 1 34 34 LYS C C 13 176.53 0.3 . 1 . . . . 34 LYS C . 10015 1
254 . 1 1 34 34 LYS CA C 13 57.431 0.3 . 1 . . . . 34 LYS CA . 10015 1
255 . 1 1 34 34 LYS CB C 13 30.506 0.3 . 1 . . . . 34 LYS CB . 10015 1
256 . 1 1 34 34 LYS N N 15 114.164 0.3 . 1 . . . . 34 LYS N . 10015 1
257 . 1 1 35 35 GLU H H 1 7.242 0.02 . 1 . . . . 35 GLU H . 10015 1
258 . 1 1 35 35 GLU HA H 1 4.107 0.02 . 1 . . . . 35 GLU HA . 10015 1
259 . 1 1 35 35 GLU HB2 H 1 2.044 0.02 . 1 . . . . 35 GLU HB2 . 10015 1
260 . 1 1 35 35 GLU HB3 H 1 2.044 0.02 . 1 . . . . 35 GLU HB3 . 10015 1
261 . 1 1 35 35 GLU C C 13 176.33 0.3 . 1 . . . . 35 GLU C . 10015 1
262 . 1 1 35 35 GLU CA C 13 55.544 0.3 . 1 . . . . 35 GLU CA . 10015 1
263 . 1 1 35 35 GLU CB C 13 26.541 0.3 . 1 . . . . 35 GLU CB . 10015 1
264 . 1 1 35 35 GLU N N 15 120.941 0.3 . 1 . . . . 35 GLU N . 10015 1
265 . 1 1 36 36 ILE H H 1 7.52 0.02 . 1 . . . . 36 ILE H . 10015 1
266 . 1 1 36 36 ILE HA H 1 3.414 0.02 . 1 . . . . 36 ILE HA . 10015 1
267 . 1 1 36 36 ILE HB H 1 1.838 0.02 . 1 . . . . 36 ILE HB . 10015 1
268 . 1 1 36 36 ILE C C 13 175.482 0.3 . 1 . . . . 36 ILE C . 10015 1
269 . 1 1 36 36 ILE CA C 13 63.103 0.3 . 1 . . . . 36 ILE CA . 10015 1
270 . 1 1 36 36 ILE CB C 13 35.205 0.3 . 1 . . . . 36 ILE CB . 10015 1
271 . 1 1 36 36 ILE N N 15 120.175 0.3 . 1 . . . . 36 ILE N . 10015 1
272 . 1 1 37 37 VAL H H 1 6.829 0.02 . 1 . . . . 37 VAL H . 10015 1
273 . 1 1 37 37 VAL HA H 1 3.061 0.02 . 1 . . . . 37 VAL HA . 10015 1
274 . 1 1 37 37 VAL HB H 1 2.066 0.02 . 1 . . . . 37 VAL HB . 10015 1
275 . 1 1 37 37 VAL C C 13 175.731 0.3 . 1 . . . . 37 VAL C . 10015 1
276 . 1 1 37 37 VAL CA C 13 64.351 0.3 . 1 . . . . 37 VAL CA . 10015 1
277 . 1 1 37 37 VAL CB C 13 29.41 0.3 . 1 . . . . 37 VAL CB . 10015 1
278 . 1 1 37 37 VAL N N 15 117.439 0.3 . 1 . . . . 37 VAL N . 10015 1
279 . 1 1 38 38 ALA H H 1 8.289 0.02 . 1 . . . . 38 ALA H . 10015 1
280 . 1 1 38 38 ALA HA H 1 4.043 0.02 . 1 . . . . 38 ALA HA . 10015 1
281 . 1 1 38 38 ALA HB1 H 1 1.349 0.02 . 1 . . . . 38 ALA HB1 . 10015 1
282 . 1 1 38 38 ALA HB2 H 1 1.349 0.02 . 1 . . . . 38 ALA HB2 . 10015 1
283 . 1 1 38 38 ALA HB3 H 1 1.349 0.02 . 1 . . . . 38 ALA HB3 . 10015 1
284 . 1 1 38 38 ALA C C 13 176.453 0.3 . 1 . . . . 38 ALA C . 10015 1
285 . 1 1 38 38 ALA CA C 13 52.044 0.3 . 1 . . . . 38 ALA CA . 10015 1
286 . 1 1 38 38 ALA CB C 13 16.018 0.3 . 1 . . . . 38 ALA CB . 10015 1
287 . 1 1 38 38 ALA N N 15 120.323 0.3 . 1 . . . . 38 ALA N . 10015 1
288 . 1 1 39 39 SER H H 1 7.434 0.02 . 1 . . . . 39 SER H . 10015 1
289 . 1 1 39 39 SER HA H 1 4.304 0.02 . 1 . . . . 39 SER HA . 10015 1
290 . 1 1 39 39 SER HB2 H 1 3.928 0.02 . 1 . . . . 39 SER HB2 . 10015 1
291 . 1 1 39 39 SER HB3 H 1 3.928 0.02 . 1 . . . . 39 SER HB3 . 10015 1
292 . 1 1 39 39 SER C C 13 170.279 0.3 . 1 . . . . 39 SER C . 10015 1
293 . 1 1 39 39 SER CA C 13 56.048 0.3 . 1 . . . . 39 SER CA . 10015 1
294 . 1 1 39 39 SER CB C 13 61.138 0.3 . 1 . . . . 39 SER CB . 10015 1
295 . 1 1 39 39 SER N N 15 109.851 0.3 . 1 . . . . 39 SER N . 10015 1
296 . 1 1 40 40 CYS H H 1 7.527 0.02 . 1 . . . . 40 CYS H . 10015 1
297 . 1 1 40 40 CYS HA H 1 4.494 0.02 . 1 . . . . 40 CYS HA . 10015 1
298 . 1 1 40 40 CYS HB2 H 1 3.564 0.02 . 2 . . . . 40 CYS HB2 . 10015 1
299 . 1 1 40 40 CYS HB3 H 1 2.908 0.02 . 2 . . . . 40 CYS HB3 . 10015 1
300 . 1 1 40 40 CYS C C 13 173.37 0.3 . 1 . . . . 40 CYS C . 10015 1
301 . 1 1 40 40 CYS CA C 13 56.12 0.3 . 1 . . . . 40 CYS CA . 10015 1
302 . 1 1 40 40 CYS CB C 13 26.063 0.3 . 1 . . . . 40 CYS CB . 10015 1
303 . 1 1 40 40 CYS N N 15 124.94 0.3 . 1 . . . . 40 CYS N . 10015 1
304 . 1 1 41 41 ASP H H 1 9.085 0.02 . 1 . . . . 41 ASP H . 10015 1
305 . 1 1 41 41 ASP HA H 1 4.343 0.02 . 1 . . . . 41 ASP HA . 10015 1
306 . 1 1 41 41 ASP HB2 H 1 2.733 0.02 . 1 . . . . 41 ASP HB2 . 10015 1
307 . 1 1 41 41 ASP HB3 H 1 2.733 0.02 . 1 . . . . 41 ASP HB3 . 10015 1
308 . 1 1 41 41 ASP C C 13 175.326 0.3 . 1 . . . . 41 ASP C . 10015 1
309 . 1 1 41 41 ASP CA C 13 54.973 0.3 . 1 . . . . 41 ASP CA . 10015 1
310 . 1 1 41 41 ASP CB C 13 38.2 0.3 . 1 . . . . 41 ASP CB . 10015 1
311 . 1 1 41 41 ASP N N 15 129.633 0.3 . 1 . . . . 41 ASP N . 10015 1
312 . 1 1 42 42 LYS H H 1 8.41 0.02 . 1 . . . . 42 LYS H . 10015 1
313 . 1 1 42 42 LYS HA H 1 4.149 0.02 . 1 . . . . 42 LYS HA . 10015 1
314 . 1 1 42 42 LYS HB2 H 1 1.626 0.02 . 1 . . . . 42 LYS HB2 . 10015 1
315 . 1 1 42 42 LYS HB3 H 1 1.626 0.02 . 1 . . . . 42 LYS HB3 . 10015 1
316 . 1 1 42 42 LYS C C 13 176.978 0.3 . 1 . . . . 42 LYS C . 10015 1
317 . 1 1 42 42 LYS CA C 13 56.308 0.3 . 1 . . . . 42 LYS CA . 10015 1
318 . 1 1 42 42 LYS CB C 13 30.776 0.3 . 1 . . . . 42 LYS CB . 10015 1
319 . 1 1 42 42 LYS N N 15 120.801 0.3 . 1 . . . . 42 LYS N . 10015 1
320 . 1 1 43 43 CYS H H 1 8.568 0.02 . 1 . . . . 43 CYS H . 10015 1
321 . 1 1 43 43 CYS HA H 1 4.189 0.02 . 1 . . . . 43 CYS HA . 10015 1
322 . 1 1 43 43 CYS HB2 H 1 3.083 0.02 . 1 . . . . 43 CYS HB2 . 10015 1
323 . 1 1 43 43 CYS HB3 H 1 3.083 0.02 . 1 . . . . 43 CYS HB3 . 10015 1
324 . 1 1 43 43 CYS C C 13 174.545 0.3 . 1 . . . . 43 CYS C . 10015 1
325 . 1 1 43 43 CYS CA C 13 61.787 0.3 . 1 . . . . 43 CYS CA . 10015 1
326 . 1 1 43 43 CYS CB C 13 27.158 0.3 . 1 . . . . 43 CYS CB . 10015 1
327 . 1 1 43 43 CYS N N 15 120.67 0.3 . 1 . . . . 43 CYS N . 10015 1
328 . 1 1 44 44 GLN H H 1 8.091 0.02 . 1 . . . . 44 GLN H . 10015 1
329 . 1 1 44 44 GLN HA H 1 4.186 0.02 . 1 . . . . 44 GLN HA . 10015 1
330 . 1 1 44 44 GLN HB2 H 1 2.119 0.02 . 1 . . . . 44 GLN HB2 . 10015 1
331 . 1 1 44 44 GLN HB3 H 1 2.119 0.02 . 1 . . . . 44 GLN HB3 . 10015 1
332 . 1 1 44 44 GLN HE21 H 1 7.326 0.3 . 1 . . . . 44 GLN HE21 . 10015 1
333 . 1 1 44 44 GLN HE22 H 1 6.921 0.3 . 1 . . . . 44 GLN HE22 . 10015 1
334 . 1 1 44 44 GLN C C 13 174.525 0.3 . 1 . . . . 44 GLN C . 10015 1
335 . 1 1 44 44 GLN CA C 13 54.44 0.3 . 1 . . . . 44 GLN CA . 10015 1
336 . 1 1 44 44 GLN CB C 13 26.333 0.3 . 1 . . . . 44 GLN CB . 10015 1
337 . 1 1 44 44 GLN N N 15 118.128 0.3 . 1 . . . . 44 GLN N . 10015 1
338 . 1 1 44 44 GLN NE2 N 15 113.162 0.3 . 1 . . . . 44 GLN NE2 . 10015 1
339 . 1 1 45 45 LEU H H 1 7.863 0.02 . 1 . . . . 45 LEU H . 10015 1
340 . 1 1 45 45 LEU HA H 1 4.273 0.02 . 1 . . . . 45 LEU HA . 10015 1
341 . 1 1 45 45 LEU HB2 H 1 1.708 0.02 . 1 . . . . 45 LEU HB2 . 10015 1
342 . 1 1 45 45 LEU HB3 H 1 1.708 0.02 . 1 . . . . 45 LEU HB3 . 10015 1
343 . 1 1 45 45 LEU C C 13 175.52 0.3 . 1 . . . . 45 LEU C . 10015 1
344 . 1 1 45 45 LEU CA C 13 53.447 0.3 . 1 . . . . 45 LEU CA . 10015 1
345 . 1 1 45 45 LEU CB C 13 39.568 0.3 . 1 . . . . 45 LEU CB . 10015 1
346 . 1 1 45 45 LEU N N 15 120.219 0.3 . 1 . . . . 45 LEU N . 10015 1
347 . 1 1 46 46 LYS H H 1 8.011 0.02 . 1 . . . . 46 LYS H . 10015 1
348 . 1 1 46 46 LYS HA H 1 4.298 0.02 . 1 . . . . 46 LYS HA . 10015 1
349 . 1 1 46 46 LYS HB2 H 1 1.88 0.02 . 1 . . . . 46 LYS HB2 . 10015 1
350 . 1 1 46 46 LYS HB3 H 1 1.88 0.02 . 1 . . . . 46 LYS HB3 . 10015 1
351 . 1 1 46 46 LYS C C 13 175.029 0.3 . 1 . . . . 46 LYS C . 10015 1
352 . 1 1 46 46 LYS CA C 13 54.333 0.3 . 1 . . . . 46 LYS CA . 10015 1
353 . 1 1 46 46 LYS CB C 13 30.763 0.3 . 1 . . . . 46 LYS CB . 10015 1
354 . 1 1 46 46 LYS N N 15 120.228 0.3 . 1 . . . . 46 LYS N . 10015 1
355 . 1 1 47 47 GLY H H 1 8.236 0.02 . 1 . . . . 47 GLY H . 10015 1
356 . 1 1 47 47 GLY HA2 H 1 3.962 0.02 . 1 . . . . 47 GLY HA2 . 10015 1
357 . 1 1 47 47 GLY HA3 H 1 3.962 0.02 . 1 . . . . 47 GLY HA3 . 10015 1
358 . 1 1 47 47 GLY C C 13 172.125 0.3 . 1 . . . . 47 GLY C . 10015 1
359 . 1 1 47 47 GLY CA C 13 43.507 0.3 . 1 . . . . 47 GLY CA . 10015 1
360 . 1 1 47 47 GLY N N 15 108.312 0.3 . 1 . . . . 47 GLY N . 10015 1
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