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 52103
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name SPIN-cys_aureus
_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' . . . 52103 1
3 '3D HNCO' . . . 52103 1
5 '3D 1H-15N TOCSY' . . . 52103 1
6 '3D HNCA' . . . 52103 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
3 $software_3 . . 52103 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 1 1 LYS H H 1 8.460 0.020 . 1 . . . . . 1 LYS H . 52103 1
2 . 1 . 1 1 1 LYS HA H 1 4.402 0.020 . 1 . . . . . 1 LYS HA . 52103 1
3 . 1 . 1 1 1 LYS CA C 13 56.244 0.3 . 1 . . . . . 1 LYS CA . 52103 1
4 . 1 . 1 1 1 LYS N N 15 123.932 0.3 . 1 . . . . . 1 LYS N . 52103 1
5 . 1 . 1 2 2 CYS H H 1 8.362 0.020 . 1 . . . . . 2 CYS H . 52103 1
6 . 1 . 1 2 2 CYS HA H 1 4.749 0.020 . 1 . . . . . 2 CYS HA . 52103 1
7 . 1 . 1 2 2 CYS C C 13 173.057 0.3 . 1 . . . . . 2 CYS C . 52103 1
8 . 1 . 1 2 2 CYS CA C 13 55.498 0.3 . 1 . . . . . 2 CYS CA . 52103 1
9 . 1 . 1 2 2 CYS N N 15 119.844 0.3 . 1 . . . . . 2 CYS N . 52103 1
10 . 1 . 1 3 3 TYR H H 1 8.411 0.020 . 1 . . . . . 3 TYR H . 52103 1
11 . 1 . 1 3 3 TYR HA H 1 4.822 0.020 . 1 . . . . . 3 TYR HA . 52103 1
12 . 1 . 1 3 3 TYR C C 13 174.754 0.3 . 1 . . . . . 3 TYR C . 52103 1
13 . 1 . 1 3 3 TYR CA C 13 57.203 0.3 . 1 . . . . . 3 TYR CA . 52103 1
14 . 1 . 1 3 3 TYR N N 15 121.158 0.3 . 1 . . . . . 3 TYR N . 52103 1
15 . 1 . 1 4 4 SER H H 1 8.454 0.020 . 1 . . . . . 4 SER H . 52103 1
16 . 1 . 1 4 4 SER HA H 1 4.747 0.020 . 1 . . . . . 4 SER HA . 52103 1
17 . 1 . 1 4 4 SER C C 13 174.092 0.3 . 1 . . . . . 4 SER C . 52103 1
18 . 1 . 1 4 4 SER CA C 13 57.686 0.3 . 1 . . . . . 4 SER CA . 52103 1
19 . 1 . 1 4 4 SER N N 15 117.353 0.3 . 1 . . . . . 4 SER N . 52103 1
20 . 1 . 1 5 5 GLN H H 1 8.692 0.020 . 1 . . . . . 5 GLN H . 52103 1
21 . 1 . 1 5 5 GLN HA H 1 4.509 0.020 . 1 . . . . . 5 GLN HA . 52103 1
22 . 1 . 1 5 5 GLN C C 13 174.622 0.3 . 1 . . . . . 5 GLN C . 52103 1
23 . 1 . 1 5 5 GLN CA C 13 55.495 0.3 . 1 . . . . . 5 GLN CA . 52103 1
24 . 1 . 1 5 5 GLN N N 15 122.997 0.3 . 1 . . . . . 5 GLN N . 52103 1
25 . 1 . 1 6 6 ASN H H 1 8.207 0.020 . 1 . . . . . 6 ASN H . 52103 1
26 . 1 . 1 6 6 ASN HA H 1 4.512 0.020 . 1 . . . . . 6 ASN HA . 52103 1
27 . 1 . 1 6 6 ASN C C 13 179.268 0.3 . 1 . . . . . 6 ASN C . 52103 1
28 . 1 . 1 6 6 ASN CA C 13 54.868 0.3 . 1 . . . . . 6 ASN CA . 52103 1
29 . 1 . 1 6 6 ASN N N 15 127.142 0.3 . 1 . . . . . 6 ASN N . 52103 1
30 . 1 . 1 7 7 GLY H H 1 8.186 0.020 . 1 . . . . . 7 GLY H . 52103 1
31 . 1 . 1 7 7 GLY HA2 H 1 4.136 0.020 . 2 . . . . . 7 GLY HA2 . 52103 1
32 . 1 . 1 7 7 GLY HA3 H 1 3.682 0.020 . 2 . . . . . 7 GLY HA3 . 52103 1
33 . 1 . 1 7 7 GLY C C 13 173.722 0.3 . 1 . . . . . 7 GLY C . 52103 1
34 . 1 . 1 7 7 GLY CA C 13 45.483 0.3 . 1 . . . . . 7 GLY CA . 52103 1
35 . 1 . 1 7 7 GLY N N 15 107.092 0.3 . 1 . . . . . 7 GLY N . 52103 1
36 . 1 . 1 8 8 LEU H H 1 7.846 0.020 . 1 . . . . . 8 LEU H . 52103 1
37 . 1 . 1 8 8 LEU HA H 1 4.455 0.020 . 1 . . . . . 8 LEU HA . 52103 1
38 . 1 . 1 8 8 LEU C C 13 176.624 0.3 . 1 . . . . . 8 LEU C . 52103 1
39 . 1 . 1 8 8 LEU CA C 13 54.703 0.3 . 1 . . . . . 8 LEU CA . 52103 1
40 . 1 . 1 8 8 LEU N N 15 121.550 0.3 . 1 . . . . . 8 LEU N . 52103 1
41 . 1 . 1 9 9 VAL H H 1 8.268 0.020 . 1 . . . . . 9 VAL H . 52103 1
42 . 1 . 1 9 9 VAL HA H 1 4.055 0.020 . 1 . . . . . 9 VAL HA . 52103 1
43 . 1 . 1 9 9 VAL C C 13 175.619 0.3 . 1 . . . . . 9 VAL C . 52103 1
44 . 1 . 1 9 9 VAL CA C 13 62.524 0.3 . 1 . . . . . 9 VAL CA . 52103 1
45 . 1 . 1 9 9 VAL N N 15 122.390 0.3 . 1 . . . . . 9 VAL N . 52103 1
46 . 1 . 1 10 10 LEU H H 1 8.481 0.020 . 1 . . . . . 10 LEU H . 52103 1
47 . 1 . 1 10 10 LEU HA H 1 4.404 0.020 . 1 . . . . . 10 LEU HA . 52103 1
48 . 1 . 1 10 10 LEU C C 13 176.697 0.3 . 1 . . . . . 10 LEU C . 52103 1
49 . 1 . 1 10 10 LEU CA C 13 54.869 0.3 . 1 . . . . . 10 LEU CA . 52103 1
50 . 1 . 1 10 10 LEU N N 15 127.028 0.3 . 1 . . . . . 10 LEU N . 52103 1
51 . 1 . 1 11 11 HIS H H 1 8.276 0.020 . 1 . . . . . 11 HIS H . 52103 1
52 . 1 . 1 11 11 HIS C C 13 174.733 0.3 . 1 . . . . . 11 HIS C . 52103 1
53 . 1 . 1 11 11 HIS CA C 13 55.839 0.3 . 1 . . . . . 11 HIS CA . 52103 1
54 . 1 . 1 11 11 HIS N N 15 117.757 0.3 . 1 . . . . . 11 HIS N . 52103 1
55 . 1 . 1 12 12 CYS H H 1 8.342 0.020 . 1 . . . . . 12 CYS H . 52103 1
56 . 1 . 1 12 12 CYS HA H 1 4.747 0.020 . 1 . . . . . 12 CYS HA . 52103 1
57 . 1 . 1 12 12 CYS C C 13 173.529 0.3 . 1 . . . . . 12 CYS C . 52103 1
58 . 1 . 1 12 12 CYS CA C 13 55.496 0.3 . 1 . . . . . 12 CYS CA . 52103 1
59 . 1 . 1 12 12 CYS N N 15 119.876 0.3 . 1 . . . . . 12 CYS N . 52103 1
60 . 1 . 1 13 13 ASP H H 1 8.619 0.020 . 1 . . . . . 13 ASP H . 52103 1
61 . 1 . 1 13 13 ASP HA H 1 4.669 0.020 . 1 . . . . . 13 ASP HA . 52103 1
62 . 1 . 1 13 13 ASP C C 13 175.472 0.3 . 1 . . . . . 13 ASP C . 52103 1
63 . 1 . 1 13 13 ASP CA C 13 54.398 0.3 . 1 . . . . . 13 ASP CA . 52103 1
64 . 1 . 1 13 13 ASP N N 15 122.437 0.3 . 1 . . . . . 13 ASP N . 52103 1
65 . 1 . 1 14 14 ALA H H 1 8.147 0.020 . 1 . . . . . 14 ALA H . 52103 1
66 . 1 . 1 14 14 ALA HA H 1 4.402 0.020 . 1 . . . . . 14 ALA HA . 52103 1
67 . 1 . 1 14 14 ALA C C 13 177.140 0.3 . 1 . . . . . 14 ALA C . 52103 1
68 . 1 . 1 14 14 ALA CA C 13 52.346 0.3 . 1 . . . . . 14 ALA CA . 52103 1
69 . 1 . 1 14 14 ALA N N 15 123.832 0.3 . 1 . . . . . 14 ALA N . 52103 1
70 . 1 . 1 15 15 ASN H H 1 8.322 0.020 . 1 . . . . . 15 ASN H . 52103 1
71 . 1 . 1 15 15 ASN HA H 1 4.776 0.020 . 1 . . . . . 15 ASN HA . 52103 1
72 . 1 . 1 15 15 ASN C C 13 174.945 0.3 . 1 . . . . . 15 ASN C . 52103 1
73 . 1 . 1 15 15 ASN N N 15 118.046 0.3 . 1 . . . . . 15 ASN N . 52103 1
74 . 1 . 1 16 16 PHE H H 1 9.945 0.020 . 1 . . . . . 16 PHE H . 52103 1
75 . 1 . 1 16 16 PHE HA H 1 4.294 0.020 . 1 . . . . . 16 PHE HA . 52103 1
76 . 1 . 1 16 16 PHE C C 13 174.049 0.3 . 1 . . . . . 16 PHE C . 52103 1
77 . 1 . 1 16 16 PHE CA C 13 59.346 0.3 . 1 . . . . . 16 PHE CA . 52103 1
78 . 1 . 1 16 16 PHE N N 15 126.208 0.3 . 1 . . . . . 16 PHE N . 52103 1
79 . 1 . 1 17 17 LEU H H 1 8.012 0.020 . 1 . . . . . 17 LEU H . 52103 1
80 . 1 . 1 17 17 LEU HA H 1 4.776 0.020 . 1 . . . . . 17 LEU HA . 52103 1
81 . 1 . 1 17 17 LEU C C 13 177.851 0.3 . 1 . . . . . 17 LEU C . 52103 1
82 . 1 . 1 17 17 LEU CA C 13 53.033 0.3 . 1 . . . . . 17 LEU CA . 52103 1
83 . 1 . 1 17 17 LEU N N 15 126.180 0.3 . 1 . . . . . 17 LEU N . 52103 1
84 . 1 . 1 18 18 GLU H H 1 8.881 0.020 . 1 . . . . . 18 GLU H . 52103 1
85 . 1 . 1 18 18 GLU HA H 1 3.416 0.020 . 1 . . . . . 18 GLU HA . 52103 1
86 . 1 . 1 18 18 GLU C C 13 179.295 0.3 . 1 . . . . . 18 GLU C . 52103 1
87 . 1 . 1 18 18 GLU CA C 13 60.156 0.3 . 1 . . . . . 18 GLU CA . 52103 1
88 . 1 . 1 18 18 GLU N N 15 121.321 0.3 . 1 . . . . . 18 GLU N . 52103 1
89 . 1 . 1 19 19 HIS H H 1 8.182 0.020 . 1 . . . . . 19 HIS H . 52103 1
90 . 1 . 1 19 19 HIS HA H 1 4.323 0.020 . 1 . . . . . 19 HIS HA . 52103 1
91 . 1 . 1 19 19 HIS C C 13 176.151 0.3 . 1 . . . . . 19 HIS C . 52103 1
92 . 1 . 1 19 19 HIS CA C 13 58.459 0.3 . 1 . . . . . 19 HIS CA . 52103 1
93 . 1 . 1 19 19 HIS N N 15 114.584 0.3 . 1 . . . . . 19 HIS N . 52103 1
94 . 1 . 1 20 20 GLU H H 1 7.222 0.020 . 1 . . . . . 20 GLU H . 52103 1
95 . 1 . 1 20 20 GLU HA H 1 2.955 0.020 . 1 . . . . . 20 GLU HA . 52103 1
96 . 1 . 1 20 20 GLU C C 13 178.929 0.3 . 1 . . . . . 20 GLU C . 52103 1
97 . 1 . 1 20 20 GLU CA C 13 56.413 0.3 . 1 . . . . . 20 GLU CA . 52103 1
98 . 1 . 1 20 20 GLU N N 15 118.612 0.3 . 1 . . . . . 20 GLU N . 52103 1
99 . 1 . 1 21 21 LEU H H 1 7.462 0.020 . 1 . . . . . 21 LEU H . 52103 1
100 . 1 . 1 21 21 LEU HA H 1 4.053 0.020 . 1 . . . . . 21 LEU HA . 52103 1
101 . 1 . 1 21 21 LEU C C 13 179.533 0.3 . 1 . . . . . 21 LEU C . 52103 1
102 . 1 . 1 21 21 LEU CA C 13 58.380 0.3 . 1 . . . . . 21 LEU CA . 52103 1
103 . 1 . 1 21 21 LEU N N 15 120.465 0.3 . 1 . . . . . 21 LEU N . 52103 1
104 . 1 . 1 22 22 SER H H 1 7.383 0.020 . 1 . . . . . 22 SER H . 52103 1
105 . 1 . 1 22 22 SER HA H 1 4.348 0.020 . 1 . . . . . 22 SER HA . 52103 1
106 . 1 . 1 22 22 SER C C 13 176.488 0.3 . 1 . . . . . 22 SER C . 52103 1
107 . 1 . 1 22 22 SER CA C 13 61.018 0.3 . 1 . . . . . 22 SER CA . 52103 1
108 . 1 . 1 22 22 SER N N 15 111.699 0.3 . 1 . . . . . 22 SER N . 52103 1
109 . 1 . 1 23 23 TYR H H 1 7.219 0.020 . 1 . . . . . 23 TYR H . 52103 1
110 . 1 . 1 23 23 TYR HA H 1 4.591 0.020 . 1 . . . . . 23 TYR HA . 52103 1
111 . 1 . 1 23 23 TYR C C 13 178.668 0.3 . 1 . . . . . 23 TYR C . 52103 1
112 . 1 . 1 23 23 TYR CA C 13 56.429 0.3 . 1 . . . . . 23 TYR CA . 52103 1
113 . 1 . 1 23 23 TYR N N 15 119.758 0.3 . 1 . . . . . 23 TYR N . 52103 1
114 . 1 . 1 24 24 ILE H H 1 7.709 0.020 . 1 . . . . . 24 ILE H . 52103 1
115 . 1 . 1 24 24 ILE HA H 1 3.362 0.020 . 1 . . . . . 24 ILE HA . 52103 1
116 . 1 . 1 24 24 ILE C C 13 177.171 0.3 . 1 . . . . . 24 ILE C . 52103 1
117 . 1 . 1 24 24 ILE CA C 13 66.432 0.3 . 1 . . . . . 24 ILE CA . 52103 1
118 . 1 . 1 24 24 ILE N N 15 119.348 0.3 . 1 . . . . . 24 ILE N . 52103 1
119 . 1 . 1 25 25 ASP H H 1 7.155 0.020 . 1 . . . . . 25 ASP H . 52103 1
120 . 1 . 1 25 25 ASP HA H 1 4.345 0.020 . 1 . . . . . 25 ASP HA . 52103 1
121 . 1 . 1 25 25 ASP C C 13 178.860 0.3 . 1 . . . . . 25 ASP C . 52103 1
122 . 1 . 1 25 25 ASP CA C 13 57.854 0.3 . 1 . . . . . 25 ASP CA . 52103 1
123 . 1 . 1 25 25 ASP N N 15 115.826 0.3 . 1 . . . . . 25 ASP N . 52103 1
124 . 1 . 1 26 26 VAL H H 1 7.289 0.020 . 1 . . . . . 26 VAL H . 52103 1
125 . 1 . 1 26 26 VAL HA H 1 3.842 0.020 . 1 . . . . . 26 VAL HA . 52103 1
126 . 1 . 1 26 26 VAL C C 13 178.086 0.3 . 1 . . . . . 26 VAL C . 52103 1
127 . 1 . 1 26 26 VAL CA C 13 66.112 0.3 . 1 . . . . . 26 VAL CA . 52103 1
128 . 1 . 1 26 26 VAL N N 15 118.810 0.3 . 1 . . . . . 26 VAL N . 52103 1
129 . 1 . 1 27 27 LEU H H 1 7.815 0.020 . 1 . . . . . 27 LEU H . 52103 1
130 . 1 . 1 27 27 LEU HA H 1 3.842 0.020 . 1 . . . . . 27 LEU HA . 52103 1
131 . 1 . 1 27 27 LEU CA C 13 57.992 0.3 . 1 . . . . . 27 LEU CA . 52103 1
132 . 1 . 1 27 27 LEU N N 15 116.773 0.3 . 1 . . . . . 27 LEU N . 52103 1
133 . 1 . 1 28 28 LEU H H 1 7.642 0.020 . 1 . . . . . 28 LEU H . 52103 1
134 . 1 . 1 28 28 LEU HA H 1 4.319 0.020 . 1 . . . . . 28 LEU HA . 52103 1
135 . 1 . 1 28 28 LEU CA C 13 54.645 0.3 . 1 . . . . . 28 LEU CA . 52103 1
136 . 1 . 1 28 28 LEU N N 15 116.830 0.3 . 1 . . . . . 28 LEU N . 52103 1
137 . 1 . 1 29 29 ASP H H 1 7.601 0.020 . 1 . . . . . 29 ASP H . 52103 1
138 . 1 . 1 29 29 ASP HA H 1 4.614 0.020 . 1 . . . . . 29 ASP HA . 52103 1
139 . 1 . 1 29 29 ASP CA C 13 53.891 0.3 . 1 . . . . . 29 ASP CA . 52103 1
140 . 1 . 1 29 29 ASP N N 15 122.304 0.3 . 1 . . . . . 29 ASP N . 52103 1
141 . 1 . 1 30 30 LYS H H 1 9.130 0.020 . 1 . . . . . 30 LYS H . 52103 1
142 . 1 . 1 30 30 LYS HA H 1 4.095 0.020 . 1 . . . . . 30 LYS HA . 52103 1
143 . 1 . 1 30 30 LYS CA C 13 58.725 0.3 . 1 . . . . . 30 LYS CA . 52103 1
144 . 1 . 1 30 30 LYS N N 15 130.166 0.3 . 1 . . . . . 30 LYS N . 52103 1
145 . 1 . 1 31 31 ASN H H 1 8.783 0.020 . 1 . . . . . 31 ASN H . 52103 1
146 . 1 . 1 31 31 ASN HA H 1 4.749 0.020 . 1 . . . . . 31 ASN HA . 52103 1
147 . 1 . 1 31 31 ASN CA C 13 53.014 0.3 . 1 . . . . . 31 ASN CA . 52103 1
148 . 1 . 1 31 31 ASN N N 15 115.500 0.3 . 1 . . . . . 31 ASN N . 52103 1
149 . 1 . 1 32 32 ALA H H 1 7.183 0.020 . 1 . . . . . 32 ALA H . 52103 1
150 . 1 . 1 32 32 ALA HA H 1 4.346 0.020 . 1 . . . . . 32 ALA HA . 52103 1
151 . 1 . 1 32 32 ALA CA C 13 52.203 0.3 . 1 . . . . . 32 ALA CA . 52103 1
152 . 1 . 1 32 32 ALA N N 15 123.527 0.3 . 1 . . . . . 32 ALA N . 52103 1
153 . 1 . 1 33 33 ASP H H 1 8.474 0.020 . 1 . . . . . 33 ASP H . 52103 1
154 . 1 . 1 33 33 ASP HA H 1 4.457 0.020 . 1 . . . . . 33 ASP HA . 52103 1
155 . 1 . 1 33 33 ASP CA C 13 54.252 0.3 . 1 . . . . . 33 ASP CA . 52103 1
156 . 1 . 1 33 33 ASP N N 15 120.635 0.3 . 1 . . . . . 33 ASP N . 52103 1
157 . 1 . 1 34 34 GLN H H 1 8.820 0.020 . 1 . . . . . 34 GLN H . 52103 1
158 . 1 . 1 34 34 GLN HA H 1 3.736 0.020 . 1 . . . . . 34 GLN HA . 52103 1
159 . 1 . 1 34 34 GLN CA C 13 58.998 0.3 . 1 . . . . . 34 GLN CA . 52103 1
160 . 1 . 1 34 34 GLN N N 15 124.454 0.3 . 1 . . . . . 34 GLN N . 52103 1
161 . 1 . 1 35 35 ALA H H 1 8.498 0.020 . 1 . . . . . 35 ALA H . 52103 1
162 . 1 . 1 35 35 ALA HA H 1 4.189 0.020 . 1 . . . . . 35 ALA HA . 52103 1
163 . 1 . 1 35 35 ALA CA C 13 55.498 0.3 . 1 . . . . . 35 ALA CA . 52103 1
164 . 1 . 1 35 35 ALA N N 15 120.883 0.3 . 1 . . . . . 35 ALA N . 52103 1
165 . 1 . 1 36 36 THR H H 1 7.787 0.020 . 1 . . . . . 36 THR H . 52103 1
166 . 1 . 1 36 36 THR HA H 1 3.865 0.020 . 1 . . . . . 36 THR HA . 52103 1
167 . 1 . 1 36 36 THR CA C 13 66.575 0.3 . 1 . . . . . 36 THR CA . 52103 1
168 . 1 . 1 36 36 THR N N 15 116.351 0.3 . 1 . . . . . 36 THR N . 52103 1
169 . 1 . 1 37 37 LYS H H 1 7.813 0.020 . 1 . . . . . 37 LYS H . 52103 1
170 . 1 . 1 37 37 LYS HA H 1 3.736 0.020 . 1 . . . . . 37 LYS HA . 52103 1
171 . 1 . 1 37 37 LYS CA C 13 61.554 0.3 . 1 . . . . . 37 LYS CA . 52103 1
172 . 1 . 1 37 37 LYS N N 15 120.692 0.3 . 1 . . . . . 37 LYS N . 52103 1
173 . 1 . 1 38 38 ASP H H 1 9.013 0.020 . 1 . . . . . 38 ASP H . 52103 1
174 . 1 . 1 38 38 ASP HA H 1 4.361 0.020 . 1 . . . . . 38 ASP HA . 52103 1
175 . 1 . 1 38 38 ASP CA C 13 57.769 0.3 . 1 . . . . . 38 ASP CA . 52103 1
176 . 1 . 1 38 38 ASP N N 15 119.984 0.3 . 1 . . . . . 38 ASP N . 52103 1
177 . 1 . 1 39 39 ASN H H 1 7.993 0.020 . 1 . . . . . 39 ASN H . 52103 1
178 . 1 . 1 39 39 ASN HA H 1 4.508 0.020 . 1 . . . . . 39 ASN HA . 52103 1
179 . 1 . 1 39 39 ASN CA C 13 56.392 0.3 . 1 . . . . . 39 ASN CA . 52103 1
180 . 1 . 1 39 39 ASN N N 15 119.659 0.3 . 1 . . . . . 39 ASN N . 52103 1
181 . 1 . 1 40 40 LEU H H 1 8.056 0.020 . 1 . . . . . 40 LEU H . 52103 1
182 . 1 . 1 40 40 LEU HA H 1 4.046 0.020 . 1 . . . . . 40 LEU HA . 52103 1
183 . 1 . 1 40 40 LEU CA C 13 57.197 0.3 . 1 . . . . . 40 LEU CA . 52103 1
184 . 1 . 1 40 40 LEU N N 15 121.512 0.3 . 1 . . . . . 40 LEU N . 52103 1
185 . 1 . 1 41 41 ARG H H 1 9.024 0.020 . 1 . . . . . 41 ARG H . 52103 1
186 . 1 . 1 41 41 ARG HA H 1 4.164 0.020 . 1 . . . . . 41 ARG HA . 52103 1
187 . 1 . 1 41 41 ARG CA C 13 59.722 0.3 . 1 . . . . . 41 ARG CA . 52103 1
188 . 1 . 1 41 41 ARG N N 15 120.479 0.3 . 1 . . . . . 41 ARG N . 52103 1
189 . 1 . 1 42 42 SER H H 1 8.079 0.020 . 1 . . . . . 42 SER H . 52103 1
190 . 1 . 1 42 42 SER HA H 1 4.297 0.020 . 1 . . . . . 42 SER HA . 52103 1
191 . 1 . 1 42 42 SER CA C 13 61.723 0.3 . 1 . . . . . 42 SER CA . 52103 1
192 . 1 . 1 42 42 SER N N 15 116.872 0.3 . 1 . . . . . 42 SER N . 52103 1
193 . 1 . 1 43 43 TYR H H 1 7.908 0.020 . 1 . . . . . 43 TYR H . 52103 1
194 . 1 . 1 43 43 TYR HA H 1 4.054 0.020 . 1 . . . . . 43 TYR HA . 52103 1
195 . 1 . 1 43 43 TYR CA C 13 61.316 0.3 . 1 . . . . . 43 TYR CA . 52103 1
196 . 1 . 1 43 43 TYR N N 15 123.464 0.3 . 1 . . . . . 43 TYR N . 52103 1
197 . 1 . 1 44 44 PHE H H 1 8.279 0.020 . 1 . . . . . 44 PHE H . 52103 1
198 . 1 . 1 44 44 PHE HA H 1 4.219 0.020 . 1 . . . . . 44 PHE HA . 52103 1
199 . 1 . 1 44 44 PHE CA C 13 62.364 0.3 . 1 . . . . . 44 PHE CA . 52103 1
200 . 1 . 1 44 44 PHE N N 15 116.929 0.3 . 1 . . . . . 44 PHE N . 52103 1
201 . 1 . 1 45 45 ALA H H 1 8.599 0.020 . 1 . . . . . 45 ALA H . 52103 1
202 . 1 . 1 45 45 ALA HA H 1 3.520 0.020 . 1 . . . . . 45 ALA HA . 52103 1
203 . 1 . 1 45 45 ALA CA C 13 55.480 0.3 . 1 . . . . . 45 ALA CA . 52103 1
204 . 1 . 1 45 45 ALA N N 15 126.265 0.3 . 1 . . . . . 45 ALA N . 52103 1
205 . 1 . 1 46 46 ASP H H 1 7.943 0.020 . 1 . . . . . 46 ASP H . 52103 1
206 . 1 . 1 46 46 ASP HA H 1 4.443 0.020 . 1 . . . . . 46 ASP HA . 52103 1
207 . 1 . 1 46 46 ASP CA C 13 56.712 0.3 . 1 . . . . . 46 ASP CA . 52103 1
208 . 1 . 1 46 46 ASP N N 15 120.168 0.3 . 1 . . . . . 46 ASP N . 52103 1
209 . 1 . 1 47 47 LYS H H 1 7.212 0.020 . 1 . . . . . 47 LYS H . 52103 1
210 . 1 . 1 47 47 LYS HA H 1 4.404 0.020 . 1 . . . . . 47 LYS HA . 52103 1
211 . 1 . 1 47 47 LYS CA C 13 55.776 0.3 . 1 . . . . . 47 LYS CA . 52103 1
212 . 1 . 1 47 47 LYS N N 15 116.578 0.3 . 1 . . . . . 47 LYS N . 52103 1
213 . 1 . 1 48 48 GLY H H 1 7.867 0.020 . 1 . . . . . 48 GLY H . 52103 1
214 . 1 . 1 48 48 GLY HA2 H 1 4.159 0.020 . 2 . . . . . 48 GLY HA2 . 52103 1
215 . 1 . 1 48 48 GLY HA3 H 1 3.660 0.020 . 2 . . . . . 48 GLY HA3 . 52103 1
216 . 1 . 1 48 48 GLY CA C 13 45.333 0.3 . 1 . . . . . 48 GLY CA . 52103 1
217 . 1 . 1 48 48 GLY N N 15 106.918 0.3 . 1 . . . . . 48 GLY N . 52103 1
218 . 1 . 1 49 49 LEU H H 1 7.783 0.020 . 1 . . . . . 49 LEU H . 52103 1
219 . 1 . 1 49 49 LEU HA H 1 4.627 0.020 . 1 . . . . . 49 LEU HA . 52103 1
220 . 1 . 1 49 49 LEU CA C 13 52.988 0.3 . 1 . . . . . 49 LEU CA . 52103 1
221 . 1 . 1 49 49 LEU N N 15 121.272 0.3 . 1 . . . . . 49 LEU N . 52103 1
222 . 1 . 1 50 50 HIS H H 1 8.976 0.020 . 1 . . . . . 50 HIS H . 52103 1
223 . 1 . 1 50 50 HIS HA H 1 4.455 0.020 . 1 . . . . . 50 HIS HA . 52103 1
224 . 1 . 1 50 50 HIS CA C 13 58.149 0.3 . 1 . . . . . 50 HIS CA . 52103 1
225 . 1 . 1 50 50 HIS N N 15 121.130 0.3 . 1 . . . . . 50 HIS N . 52103 1
226 . 1 . 1 51 51 SER H H 1 7.731 0.020 . 1 . . . . . 51 SER H . 52103 1
227 . 1 . 1 51 51 SER HA H 1 4.829 0.020 . 1 . . . . . 51 SER HA . 52103 1
228 . 1 . 1 51 51 SER CA C 13 56.408 0.3 . 1 . . . . . 51 SER CA . 52103 1
229 . 1 . 1 51 51 SER N N 15 112.359 0.3 . 1 . . . . . 51 SER N . 52103 1
230 . 1 . 1 52 52 ILE H H 1 8.970 0.020 . 1 . . . . . 52 ILE H . 52103 1
231 . 1 . 1 52 52 ILE HA H 1 3.762 0.020 . 1 . . . . . 52 ILE HA . 52103 1
232 . 1 . 1 52 52 ILE CA C 13 63.611 0.3 . 1 . . . . . 52 ILE CA . 52103 1
233 . 1 . 1 52 52 ILE N N 15 122.531 0.3 . 1 . . . . . 52 ILE N . 52103 1
234 . 1 . 1 53 53 LYS H H 1 8.159 0.020 . 1 . . . . . 53 LYS H . 52103 1
235 . 1 . 1 53 53 LYS HA H 1 3.864 0.020 . 1 . . . . . 53 LYS HA . 52103 1
236 . 1 . 1 53 53 LYS CA C 13 59.557 0.3 . 1 . . . . . 53 LYS CA . 52103 1
237 . 1 . 1 53 53 LYS N N 15 120.053 0.3 . 1 . . . . . 53 LYS N . 52103 1
238 . 1 . 1 54 54 ASP H H 1 7.752 0.020 . 1 . . . . . 54 ASP H . 52103 1
239 . 1 . 1 54 54 ASP HA H 1 4.373 0.020 . 1 . . . . . 54 ASP HA . 52103 1
240 . 1 . 1 54 54 ASP CA C 13 57.208 0.3 . 1 . . . . . 54 ASP CA . 52103 1
241 . 1 . 1 54 54 ASP N N 15 118.669 0.3 . 1 . . . . . 54 ASP N . 52103 1
242 . 1 . 1 55 55 ILE H H 1 7.861 0.020 . 1 . . . . . 55 ILE H . 52103 1
243 . 1 . 1 55 55 ILE HA H 1 3.414 0.020 . 1 . . . . . 55 ILE HA . 52103 1
244 . 1 . 1 55 55 ILE CA C 13 66.025 0.3 . 1 . . . . . 55 ILE CA . 52103 1
245 . 1 . 1 55 55 ILE N N 15 122.233 0.3 . 1 . . . . . 55 ILE N . 52103 1
246 . 1 . 1 56 56 ILE H H 1 8.053 0.020 . 1 . . . . . 56 ILE H . 52103 1
247 . 1 . 1 56 56 ILE HA H 1 3.178 0.020 . 1 . . . . . 56 ILE HA . 52103 1
248 . 1 . 1 56 56 ILE N N 15 118.188 0.3 . 1 . . . . . 56 ILE N . 52103 1
249 . 1 . 1 57 57 ASN H H 1 8.318 0.020 . 1 . . . . . 57 ASN H . 52103 1
250 . 1 . 1 57 57 ASN HA H 1 4.404 0.020 . 1 . . . . . 57 ASN HA . 52103 1
251 . 1 . 1 57 57 ASN CA C 13 55.982 0.3 . 1 . . . . . 57 ASN CA . 52103 1
252 . 1 . 1 57 57 ASN N N 15 116.066 0.3 . 1 . . . . . 57 ASN N . 52103 1
253 . 1 . 1 58 58 LYS H H 1 7.921 0.020 . 1 . . . . . 58 LYS H . 52103 1
254 . 1 . 1 58 58 LYS HA H 1 4.135 0.020 . 1 . . . . . 58 LYS HA . 52103 1
255 . 1 . 1 58 58 LYS CA C 13 57.849 0.3 . 1 . . . . . 58 LYS CA . 52103 1
256 . 1 . 1 58 58 LYS N N 15 122.644 0.3 . 1 . . . . . 58 LYS N . 52103 1
257 . 1 . 1 59 59 ALA H H 1 7.440 0.020 . 1 . . . . . 59 ALA H . 52103 1
258 . 1 . 1 59 59 ALA HA H 1 3.361 0.020 . 1 . . . . . 59 ALA HA . 52103 1
259 . 1 . 1 59 59 ALA CA C 13 55.798 0.3 . 1 . . . . . 59 ALA CA . 52103 1
260 . 1 . 1 59 59 ALA N N 15 121.314 0.3 . 1 . . . . . 59 ALA N . 52103 1
261 . 1 . 1 60 60 LYS H H 1 8.155 0.020 . 1 . . . . . 60 LYS H . 52103 1
262 . 1 . 1 60 60 LYS HA H 1 4.269 0.020 . 1 . . . . . 60 LYS HA . 52103 1
263 . 1 . 1 60 60 LYS CA C 13 59.076 0.3 . 1 . . . . . 60 LYS CA . 52103 1
264 . 1 . 1 60 60 LYS N N 15 117.594 0.3 . 1 . . . . . 60 LYS N . 52103 1
265 . 1 . 1 61 61 GLN H H 1 8.558 0.020 . 1 . . . . . 61 GLN H . 52103 1
266 . 1 . 1 61 61 GLN HA H 1 4.028 0.020 . 1 . . . . . 61 GLN HA . 52103 1
267 . 1 . 1 61 61 GLN C C 13 177.776 0.3 . 1 . . . . . 61 GLN C . 52103 1
268 . 1 . 1 61 61 GLN CA C 13 58.720 0.3 . 1 . . . . . 61 GLN CA . 52103 1
269 . 1 . 1 61 61 GLN N N 15 122.177 0.3 . 1 . . . . . 61 GLN N . 52103 1
270 . 1 . 1 62 62 ASP H H 1 8.090 0.020 . 1 . . . . . 62 ASP H . 52103 1
271 . 1 . 1 62 62 ASP HA H 1 4.828 0.020 . 1 . . . . . 62 ASP HA . 52103 1
272 . 1 . 1 62 62 ASP CA C 13 54.869 0.3 . 1 . . . . . 62 ASP CA . 52103 1
273 . 1 . 1 62 62 ASP N N 15 118.541 0.3 . 1 . . . . . 62 ASP N . 52103 1
274 . 1 . 1 63 63 GLY H H 1 7.718 0.020 . 1 . . . . . 63 GLY H . 52103 1
275 . 1 . 1 63 63 GLY HA2 H 1 4.027 0.020 . 2 . . . . . 63 GLY HA2 . 52103 1
276 . 1 . 1 63 63 GLY HA3 H 1 3.656 0.020 . 2 . . . . . 63 GLY HA3 . 52103 1
277 . 1 . 1 63 63 GLY CA C 13 45.807 0.3 . 1 . . . . . 63 GLY CA . 52103 1
278 . 1 . 1 63 63 GLY N N 15 105.748 0.3 . 1 . . . . . 63 GLY N . 52103 1
279 . 1 . 1 64 64 PHE H H 1 8.135 0.020 . 1 . . . . . 64 PHE H . 52103 1
280 . 1 . 1 64 64 PHE HA H 1 4.505 0.020 . 1 . . . . . 64 PHE HA . 52103 1
281 . 1 . 1 64 64 PHE CA C 13 58.446 0.3 . 1 . . . . . 64 PHE CA . 52103 1
282 . 1 . 1 64 64 PHE N N 15 119.799 0.3 . 1 . . . . . 64 PHE N . 52103 1
283 . 1 . 1 65 65 ASP H H 1 8.850 0.020 . 1 . . . . . 65 ASP H . 52103 1
284 . 1 . 1 65 65 ASP HA H 1 4.678 0.020 . 1 . . . . . 65 ASP HA . 52103 1
285 . 1 . 1 65 65 ASP CA C 13 53.962 0.3 . 1 . . . . . 65 ASP CA . 52103 1
286 . 1 . 1 65 65 ASP N N 15 120.805 0.3 . 1 . . . . . 65 ASP N . 52103 1
287 . 1 . 1 66 66 VAL H H 1 8.545 0.020 . 1 . . . . . 66 VAL H . 52103 1
288 . 1 . 1 66 66 VAL HA H 1 4.674 0.020 . 1 . . . . . 66 VAL HA . 52103 1
289 . 1 . 1 66 66 VAL C C 13 177.225 0.3 . 1 . . . . . 66 VAL C . 52103 1
290 . 1 . 1 66 66 VAL CA C 13 59.723 0.3 . 1 . . . . . 66 VAL CA . 52103 1
291 . 1 . 1 66 66 VAL N N 15 119.096 0.3 . 1 . . . . . 66 VAL N . 52103 1
292 . 1 . 1 67 67 SER H H 1 8.616 0.020 . 1 . . . . . 67 SER H . 52103 1
293 . 1 . 1 67 67 SER HA H 1 4.108 0.020 . 1 . . . . . 67 SER HA . 52103 1
294 . 1 . 1 67 67 SER C C 13 176.893 0.3 . 1 . . . . . 67 SER C . 52103 1
295 . 1 . 1 67 67 SER CA C 13 62.401 0.3 . 1 . . . . . 67 SER CA . 52103 1
296 . 1 . 1 67 67 SER N N 15 121.366 0.3 . 1 . . . . . 67 SER N . 52103 1
297 . 1 . 1 68 68 LYS H H 1 8.244 0.020 . 1 . . . . . 68 LYS H . 52103 1
298 . 1 . 1 68 68 LYS HA H 1 4.057 0.020 . 1 . . . . . 68 LYS HA . 52103 1
299 . 1 . 1 68 68 LYS C C 13 176.645 0.3 . 1 . . . . . 68 LYS C . 52103 1
300 . 1 . 1 68 68 LYS CA C 13 57.840 0.3 . 1 . . . . . 68 LYS CA . 52103 1
301 . 1 . 1 68 68 LYS N N 15 120.182 0.3 . 1 . . . . . 68 LYS N . 52103 1
302 . 1 . 1 69 69 TYR H H 1 7.538 0.020 . 1 . . . . . 69 TYR H . 52103 1
303 . 1 . 1 69 69 TYR HA H 1 4.675 0.020 . 1 . . . . . 69 TYR HA . 52103 1
304 . 1 . 1 69 69 TYR C C 13 176.319 0.3 . 1 . . . . . 69 TYR C . 52103 1
305 . 1 . 1 69 69 TYR CA C 13 56.307 0.3 . 1 . . . . . 69 TYR CA . 52103 1
306 . 1 . 1 69 69 TYR N N 15 117.146 0.3 . 1 . . . . . 69 TYR N . 52103 1
307 . 1 . 1 70 70 GLU H H 1 7.439 0.020 . 1 . . . . . 70 GLU H . 52103 1
308 . 1 . 1 70 70 GLU HA H 1 4.113 0.020 . 1 . . . . . 70 GLU HA . 52103 1
309 . 1 . 1 70 70 GLU C C 13 176.052 0.3 . 1 . . . . . 70 GLU C . 52103 1
310 . 1 . 1 70 70 GLU CA C 13 57.858 0.3 . 1 . . . . . 70 GLU CA . 52103 1
311 . 1 . 1 70 70 GLU N N 15 119.102 0.3 . 1 . . . . . 70 GLU N . 52103 1
312 . 1 . 1 71 71 HIS H H 1 7.431 0.020 . 1 . . . . . 71 HIS H . 52103 1
313 . 1 . 1 71 71 HIS HA H 1 4.680 0.020 . 1 . . . . . 71 HIS HA . 52103 1
314 . 1 . 1 71 71 HIS C C 13 176.053 0.3 . 1 . . . . . 71 HIS C . 52103 1
315 . 1 . 1 71 71 HIS CA C 13 42.505 0.3 . 1 . . . . . 71 HIS CA . 52103 1
316 . 1 . 1 71 71 HIS N N 15 118.042 0.3 . 1 . . . . . 71 HIS N . 52103 1
317 . 1 . 1 72 72 VAL H H 1 7.679 0.020 . 1 . . . . . 72 VAL H . 52103 1
318 . 1 . 1 72 72 VAL HA H 1 3.999 0.020 . 1 . . . . . 72 VAL HA . 52103 1
319 . 1 . 1 72 72 VAL CA C 13 62.844 0.3 . 1 . . . . . 72 VAL CA . 52103 1
320 . 1 . 1 72 72 VAL N N 15 121.639 0.3 . 1 . . . . . 72 VAL N . 52103 1
321 . 1 . 1 73 73 LYS H H 1 7.895 0.020 . 1 . . . . . 73 LYS H . 52103 1
322 . 1 . 1 73 73 LYS HA H 1 4.162 0.020 . 1 . . . . . 73 LYS HA . 52103 1
323 . 1 . 1 73 73 LYS C C 13 181.110 0.3 . 1 . . . . . 73 LYS C . 52103 1
324 . 1 . 1 73 73 LYS CA C 13 57.638 0.3 . 1 . . . . . 73 LYS CA . 52103 1
325 . 1 . 1 73 73 LYS N N 15 130.493 0.3 . 1 . . . . . 73 LYS N . 52103 1
stop_
save_