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 51650
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name assigned_chemical_shifts
_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 '3D HNCO' . . . 51650 1
2 '3D CBCACONH' . . . 51650 1
3 '3D HNCACB' . . . 51650 1
4 '3D HN(CA)CO' . . . 51650 1
6 '3D H(CCO)NH' . . . 51650 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 . . 51650 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 MET H H 1 8.249 0.02 . 1 . . . . . 1 MET H . 51650 1
2 . 1 . 1 1 1 MET C C 13 176.243 0.3 . 1 . . . . . 1 MET C . 51650 1
3 . 1 . 1 1 1 MET CA C 13 55.275 0.3 . 1 . . . . . 1 MET CA . 51650 1
4 . 1 . 1 1 1 MET CB C 13 32.547 0.3 . 1 . . . . . 1 MET CB . 51650 1
5 . 1 . 1 1 1 MET N N 15 119.939 0.3 . 1 . . . . . 1 MET N . 51650 1
6 . 1 . 1 2 2 ALA H H 1 8.224 0.02 . 1 . . . . . 2 ALA H . 51650 1
7 . 1 . 1 2 2 ALA C C 13 177.689 0.3 . 1 . . . . . 2 ALA C . 51650 1
8 . 1 . 1 2 2 ALA CA C 13 52.53 0.3 . 1 . . . . . 2 ALA CA . 51650 1
9 . 1 . 1 2 2 ALA CB C 13 18.658 0.3 . 1 . . . . . 2 ALA CB . 51650 1
10 . 1 . 1 2 2 ALA N N 15 125.135 0.3 . 1 . . . . . 2 ALA N . 51650 1
11 . 1 . 1 3 3 GLU H H 1 8.171 0.02 . 1 . . . . . 3 GLU H . 51650 1
12 . 1 . 1 3 3 GLU C C 13 176.613 0.3 . 1 . . . . . 3 GLU C . 51650 1
13 . 1 . 1 3 3 GLU CA C 13 56.263 0.3 . 1 . . . . . 3 GLU CA . 51650 1
14 . 1 . 1 3 3 GLU CB C 13 29.802 0.3 . 1 . . . . . 3 GLU CB . 51650 1
15 . 1 . 1 3 3 GLU N N 15 119.939 0.3 . 1 . . . . . 3 GLU N . 51650 1
16 . 1 . 1 4 4 LEU H H 1 8.095 0.02 . 1 . . . . . 4 LEU H . 51650 1
17 . 1 . 1 4 4 LEU C C 13 177.504 0.3 . 1 . . . . . 4 LEU C . 51650 1
18 . 1 . 1 4 4 LEU CA C 13 55 0.3 . 1 . . . . . 4 LEU CA . 51650 1
19 . 1 . 1 4 4 LEU CB C 13 41.825 0.3 . 1 . . . . . 4 LEU CB . 51650 1
20 . 1 . 1 4 4 LEU N N 15 122.96 0.3 . 1 . . . . . 4 LEU N . 51650 1
21 . 1 . 1 5 5 SER H H 1 8.088 0.02 . 1 . . . . . 5 SER H . 51650 1
22 . 1 . 1 5 5 SER C C 13 174.219 0.3 . 1 . . . . . 5 SER C . 51650 1
23 . 1 . 1 5 5 SER CA C 13 58.459 0.3 . 1 . . . . . 5 SER CA . 51650 1
24 . 1 . 1 5 5 SER CB C 13 63.454 0.3 . 1 . . . . . 5 SER CB . 51650 1
25 . 1 . 1 5 5 SER N N 15 116.225 0.3 . 1 . . . . . 5 SER N . 51650 1
26 . 1 . 1 6 6 GLU H H 1 8.186 0.02 . 1 . . . . . 6 GLU H . 51650 1
27 . 1 . 1 6 6 GLU C C 13 176.412 0.3 . 1 . . . . . 6 GLU C . 51650 1
28 . 1 . 1 6 6 GLU CA C 13 56.482 0.3 . 1 . . . . . 6 GLU CA . 51650 1
29 . 1 . 1 6 6 GLU CB C 13 29.802 0.3 . 1 . . . . . 6 GLU CB . 51650 1
30 . 1 . 1 6 6 GLU N N 15 122.264 0.3 . 1 . . . . . 6 GLU N . 51650 1
31 . 1 . 1 7 7 GLN H H 1 8.113 0.02 . 1 . . . . . 7 GLN H . 51650 1
32 . 1 . 1 7 7 GLN C C 13 176.099 0.3 . 1 . . . . . 7 GLN C . 51650 1
33 . 1 . 1 7 7 GLN CA C 13 55.824 0.3 . 1 . . . . . 7 GLN CA . 51650 1
34 . 1 . 1 7 7 GLN CB C 13 29.088 0.3 . 1 . . . . . 7 GLN CB . 51650 1
35 . 1 . 1 7 7 GLN N N 15 120.872 0.3 . 1 . . . . . 7 GLN N . 51650 1
36 . 1 . 1 8 8 VAL H H 1 7.974 0.02 . 1 . . . . . 8 VAL H . 51650 1
37 . 1 . 1 8 8 VAL C C 13 176.251 0.3 . 1 . . . . . 8 VAL C . 51650 1
38 . 1 . 1 8 8 VAL CA C 13 62.576 0.3 . 1 . . . . . 8 VAL CA . 51650 1
39 . 1 . 1 8 8 VAL CB C 13 32.272 0.3 . 1 . . . . . 8 VAL CB . 51650 1
40 . 1 . 1 8 8 VAL N N 15 121.588 0.3 . 1 . . . . . 8 VAL N . 51650 1
41 . 1 . 1 9 9 GLN H H 1 8.285 0.02 . 1 . . . . . 9 GLN H . 51650 1
42 . 1 . 1 9 9 GLN C C 13 175.48 0.3 . 1 . . . . . 9 GLN C . 51650 1
43 . 1 . 1 9 9 GLN CA C 13 55.714 0.3 . 1 . . . . . 9 GLN CA . 51650 1
44 . 1 . 1 9 9 GLN CB C 13 29.253 0.3 . 1 . . . . . 9 GLN CB . 51650 1
45 . 1 . 1 9 9 GLN N N 15 123.637 0.3 . 1 . . . . . 9 GLN N . 51650 1
46 . 1 . 1 10 10 ASN H H 1 8.288 0.02 . 1 . . . . . 10 ASN H . 51650 1
47 . 1 . 1 10 10 ASN C C 13 175.054 0.3 . 1 . . . . . 10 ASN C . 51650 1
48 . 1 . 1 10 10 ASN CA C 13 52.859 0.3 . 1 . . . . . 10 ASN CA . 51650 1
49 . 1 . 1 10 10 ASN CB C 13 38.421 0.3 . 1 . . . . . 10 ASN CB . 51650 1
50 . 1 . 1 10 10 ASN N N 15 119.948 0.3 . 1 . . . . . 10 ASN N . 51650 1
51 . 1 . 1 11 11 LEU H H 1 8.093 0.02 . 1 . . . . . 11 LEU H . 51650 1
52 . 1 . 1 11 11 LEU C C 13 177.384 0.3 . 1 . . . . . 11 LEU C . 51650 1
53 . 1 . 1 11 11 LEU CA C 13 54.89 0.3 . 1 . . . . . 11 LEU CA . 51650 1
54 . 1 . 1 11 11 LEU CB C 13 41.934 0.3 . 1 . . . . . 11 LEU CB . 51650 1
55 . 1 . 1 11 11 LEU N N 15 122.669 0.3 . 1 . . . . . 11 LEU N . 51650 1
56 . 1 . 1 12 12 SER H H 1 8.128 0.02 . 1 . . . . . 12 SER H . 51650 1
57 . 1 . 1 12 12 SER C C 13 174.492 0.3 . 1 . . . . . 12 SER C . 51650 1
58 . 1 . 1 12 12 SER CA C 13 58.184 0.3 . 1 . . . . . 12 SER CA . 51650 1
59 . 1 . 1 12 12 SER CB C 13 63.454 0.3 . 1 . . . . . 12 SER CB . 51650 1
60 . 1 . 1 12 12 SER N N 15 116.492 0.3 . 1 . . . . . 12 SER N . 51650 1
61 . 1 . 1 13 13 ILE H H 1 7.86 0.02 . 1 . . . . . 13 ILE H . 51650 1
62 . 1 . 1 13 13 ILE C C 13 175.785 0.3 . 1 . . . . . 13 ILE C . 51650 1
63 . 1 . 1 13 13 ILE CA C 13 61.149 0.3 . 1 . . . . . 13 ILE CA . 51650 1
64 . 1 . 1 13 13 ILE CB C 13 38.421 0.3 . 1 . . . . . 13 ILE CB . 51650 1
65 . 1 . 1 13 13 ILE N N 15 121.858 0.3 . 1 . . . . . 13 ILE N . 51650 1
66 . 1 . 1 14 14 ASN H H 1 8.183 0.02 . 1 . . . . . 14 ASN H . 51650 1
67 . 1 . 1 14 14 ASN C C 13 174.685 0.3 . 1 . . . . . 14 ASN C . 51650 1
68 . 1 . 1 14 14 ASN CA C 13 52.859 0.3 . 1 . . . . . 14 ASN CA . 51650 1
69 . 1 . 1 14 14 ASN CB C 13 38.695 0.3 . 1 . . . . . 14 ASN CB . 51650 1
70 . 1 . 1 14 14 ASN N N 15 121.591 0.3 . 1 . . . . . 14 ASN N . 51650 1
71 . 1 . 1 15 15 ASP H H 1 8.011 0.02 . 1 . . . . . 15 ASP H . 51650 1
72 . 1 . 1 15 15 ASP C C 13 175.809 0.3 . 1 . . . . . 15 ASP C . 51650 1
73 . 1 . 1 15 15 ASP CA C 13 54.232 0.3 . 1 . . . . . 15 ASP CA . 51650 1
74 . 1 . 1 15 15 ASP CB C 13 40.727 0.3 . 1 . . . . . 15 ASP CB . 51650 1
75 . 1 . 1 15 15 ASP N N 15 120.776 0.3 . 1 . . . . . 15 ASP N . 51650 1
76 . 1 . 1 16 16 ASN H H 1 8.142 0.02 . 1 . . . . . 16 ASN H . 51650 1
77 . 1 . 1 16 16 ASN C C 13 175.014 0.3 . 1 . . . . . 16 ASN C . 51650 1
78 . 1 . 1 16 16 ASN CA C 13 53.189 0.3 . 1 . . . . . 16 ASN CA . 51650 1
79 . 1 . 1 16 16 ASN CB C 13 38.421 0.3 . 1 . . . . . 16 ASN CB . 51650 1
80 . 1 . 1 16 16 ASN N N 15 118.442 0.3 . 1 . . . . . 16 ASN N . 51650 1
81 . 1 . 1 17 17 ASN H H 1 8.173 0.02 . 1 . . . . . 17 ASN H . 51650 1
82 . 1 . 1 17 17 ASN C C 13 175.432 0.3 . 1 . . . . . 17 ASN C . 51650 1
83 . 1 . 1 17 17 ASN CA C 13 53.079 0.3 . 1 . . . . . 17 ASN CA . 51650 1
84 . 1 . 1 17 17 ASN CB C 13 38.421 0.3 . 1 . . . . . 17 ASN CB . 51650 1
85 . 1 . 1 17 17 ASN N N 15 118.43 0.3 . 1 . . . . . 17 ASN N . 51650 1
86 . 1 . 1 18 18 GLU H H 1 8.239 0.02 . 1 . . . . . 18 GLU H . 51650 1
87 . 1 . 1 18 18 GLU C C 13 176.476 0.3 . 1 . . . . . 18 GLU C . 51650 1
88 . 1 . 1 18 18 GLU CA C 13 56.757 0.3 . 1 . . . . . 18 GLU CA . 51650 1
89 . 1 . 1 18 18 GLU CB C 13 29.527 0.3 . 1 . . . . . 18 GLU CB . 51650 1
90 . 1 . 1 18 18 GLU N N 15 120.727 0.3 . 1 . . . . . 18 GLU N . 51650 1
91 . 1 . 1 19 19 ASN H H 1 8.277 0.02 . 1 . . . . . 19 ASN H . 51650 1
92 . 1 . 1 19 19 ASN C C 13 175.601 0.3 . 1 . . . . . 19 ASN C . 51650 1
93 . 1 . 1 19 19 ASN CA C 13 53.189 0.3 . 1 . . . . . 19 ASN CA . 51650 1
94 . 1 . 1 19 19 ASN CB C 13 38.531 0.3 . 1 . . . . . 19 ASN CB . 51650 1
95 . 1 . 1 19 19 ASN N N 15 118.719 0.3 . 1 . . . . . 19 ASN N . 51650 1
96 . 1 . 1 20 20 GLY H H 1 8.069 0.02 . 1 . . . . . 20 GLY H . 51650 1
97 . 1 . 1 20 20 GLY C C 13 173.392 0.3 . 1 . . . . . 20 GLY C . 51650 1
98 . 1 . 1 20 20 GLY CA C 13 44.899 0.3 . 1 . . . . . 20 GLY CA . 51650 1
99 . 1 . 1 20 20 GLY N N 15 109.007 0.3 . 1 . . . . . 20 GLY N . 51650 1
100 . 1 . 1 21 21 TYR H H 1 7.859 0.02 . 1 . . . . . 21 TYR H . 51650 1
101 . 1 . 1 21 21 TYR C C 13 174.886 0.3 . 1 . . . . . 21 TYR C . 51650 1
102 . 1 . 1 21 21 TYR CA C 13 58.569 0.3 . 1 . . . . . 21 TYR CA . 51650 1
103 . 1 . 1 21 21 TYR CB C 13 38.476 0.3 . 1 . . . . . 21 TYR CB . 51650 1
104 . 1 . 1 21 21 TYR N N 15 120.957 0.3 . 1 . . . . . 21 TYR N . 51650 1
105 . 1 . 1 22 22 VAL H H 1 7.576 0.02 . 1 . . . . . 22 VAL H . 51650 1
106 . 1 . 1 22 22 VAL C C 13 172.709 0.3 . 1 . . . . . 22 VAL C . 51650 1
107 . 1 . 1 22 22 VAL CA C 13 58.569 0.3 . 1 . . . . . 22 VAL CA . 51650 1
108 . 1 . 1 22 22 VAL CB C 13 33.809 0.3 . 1 . . . . . 22 VAL CB . 51650 1
109 . 1 . 1 22 22 VAL N N 15 129.099 0.3 . 1 . . . . . 22 VAL N . 51650 1
110 . 1 . 1 25 25 HIS H H 1 7.91 0.02 . 1 . . . . . 25 HIS H . 51650 1
111 . 1 . 1 25 25 HIS C C 13 175.568 0.3 . 1 . . . . . 25 HIS C . 51650 1
112 . 1 . 1 25 25 HIS CA C 13 57.525 0.3 . 1 . . . . . 25 HIS CA . 51650 1
113 . 1 . 1 25 25 HIS CB C 13 29.308 0.3 . 1 . . . . . 25 HIS CB . 51650 1
114 . 1 . 1 25 25 HIS N N 15 113.901 0.3 . 1 . . . . . 25 HIS N . 51650 1
115 . 1 . 1 26 26 LEU H H 1 7.348 0.02 . 1 . . . . . 26 LEU H . 51650 1
116 . 1 . 1 26 26 LEU C C 13 176.942 0.3 . 1 . . . . . 26 LEU C . 51650 1
117 . 1 . 1 26 26 LEU CA C 13 53.847 0.3 . 1 . . . . . 26 LEU CA . 51650 1
118 . 1 . 1 26 26 LEU CB C 13 41.77 0.3 . 1 . . . . . 26 LEU CB . 51650 1
119 . 1 . 1 26 26 LEU N N 15 120.49 0.3 . 1 . . . . . 26 LEU N . 51650 1
120 . 1 . 1 27 27 ARG H H 1 7.173 0.02 . 1 . . . . . 27 ARG H . 51650 1
121 . 1 . 1 27 27 ARG C C 13 176.717 0.3 . 1 . . . . . 27 ARG C . 51650 1
122 . 1 . 1 27 27 ARG CA C 13 56.922 0.3 . 1 . . . . . 27 ARG CA . 51650 1
123 . 1 . 1 27 27 ARG CB C 13 30.131 0.3 . 1 . . . . . 27 ARG CB . 51650 1
124 . 1 . 1 27 27 ARG N N 15 120.467 0.3 . 1 . . . . . 27 ARG N . 51650 1
125 . 1 . 1 28 28 GLY H H 1 8.282 0.02 . 1 . . . . . 28 GLY H . 51650 1
126 . 1 . 1 28 28 GLY C C 13 173.528 0.3 . 1 . . . . . 28 GLY C . 51650 1
127 . 1 . 1 28 28 GLY CA C 13 44.844 0.3 . 1 . . . . . 28 GLY CA . 51650 1
128 . 1 . 1 28 28 GLY N N 15 109.558 0.3 . 1 . . . . . 28 GLY N . 51650 1
129 . 1 . 1 29 29 LYS H H 1 7.7 0.02 . 1 . . . . . 29 LYS H . 51650 1
130 . 1 . 1 29 29 LYS C C 13 174.307 0.3 . 1 . . . . . 29 LYS C . 51650 1
131 . 1 . 1 29 29 LYS CA C 13 53.792 0.3 . 1 . . . . . 29 LYS CA . 51650 1
132 . 1 . 1 29 29 LYS CB C 13 31.888 0.3 . 1 . . . . . 29 LYS CB . 51650 1
133 . 1 . 1 29 29 LYS N N 15 121.186 0.3 . 1 . . . . . 29 LYS N . 51650 1
134 . 1 . 1 31 31 ARG H H 1 8.384 0.02 . 1 . . . . . 31 ARG H . 51650 1
135 . 1 . 1 31 31 ARG C C 13 176.428 0.3 . 1 . . . . . 31 ARG C . 51650 1
136 . 1 . 1 31 31 ARG CA C 13 56.153 0.3 . 1 . . . . . 31 ARG CA . 51650 1
137 . 1 . 1 31 31 ARG CB C 13 30.406 0.3 . 1 . . . . . 31 ARG CB . 51650 1
138 . 1 . 1 31 31 ARG N N 15 121.853 0.3 . 1 . . . . . 31 ARG N . 51650 1
139 . 1 . 1 32 32 SER H H 1 8.138 0.02 . 1 . . . . . 32 SER H . 51650 1
140 . 1 . 1 32 32 SER C C 13 174.107 0.3 . 1 . . . . . 32 SER C . 51650 1
141 . 1 . 1 32 32 SER CA C 13 58.129 0.3 . 1 . . . . . 32 SER CA . 51650 1
142 . 1 . 1 32 32 SER CB C 13 63.509 0.3 . 1 . . . . . 32 SER CB . 51650 1
143 . 1 . 1 32 32 SER N N 15 116.53 0.3 . 1 . . . . . 32 SER N . 51650 1
144 . 1 . 1 33 33 ALA H H 1 8.191 0.02 . 1 . . . . . 33 ALA H . 51650 1
145 . 1 . 1 33 33 ALA C C 13 177.633 0.3 . 1 . . . . . 33 ALA C . 51650 1
146 . 1 . 1 33 33 ALA CA C 13 52.365 0.3 . 1 . . . . . 33 ALA CA . 51650 1
147 . 1 . 1 33 33 ALA CB C 13 18.877 0.3 . 1 . . . . . 33 ALA CB . 51650 1
148 . 1 . 1 33 33 ALA N N 15 125.831 0.3 . 1 . . . . . 33 ALA N . 51650 1
149 . 1 . 1 34 34 ARG H H 1 8.039 0.02 . 1 . . . . . 34 ARG H . 51650 1
150 . 1 . 1 34 34 ARG C C 13 175.946 0.3 . 1 . . . . . 34 ARG C . 51650 1
151 . 1 . 1 34 34 ARG CA C 13 56.043 0.3 . 1 . . . . . 34 ARG CA . 51650 1
152 . 1 . 1 34 34 ARG CB C 13 30.351 0.3 . 1 . . . . . 34 ARG CB . 51650 1
153 . 1 . 1 34 34 ARG N N 15 119.543 0.3 . 1 . . . . . 34 ARG N . 51650 1
154 . 1 . 1 35 35 ASN H H 1 8.178 0.02 . 1 . . . . . 35 ASN H . 51650 1
155 . 1 . 1 35 35 ASN C C 13 174.837 0.3 . 1 . . . . . 35 ASN C . 51650 1
156 . 1 . 1 35 35 ASN CA C 13 52.914 0.3 . 1 . . . . . 35 ASN CA . 51650 1
157 . 1 . 1 35 35 ASN CB C 13 38.366 0.3 . 1 . . . . . 35 ASN CB . 51650 1
158 . 1 . 1 35 35 ASN N N 15 119.323 0.3 . 1 . . . . . 35 ASN N . 51650 1
159 . 1 . 1 36 36 ASN H H 1 8.212 0.02 . 1 . . . . . 36 ASN H . 51650 1
160 . 1 . 1 36 36 ASN C C 13 175.376 0.3 . 1 . . . . . 36 ASN C . 51650 1
161 . 1 . 1 36 36 ASN CA C 13 52.914 0.3 . 1 . . . . . 36 ASN CA . 51650 1
162 . 1 . 1 36 36 ASN CB C 13 38.531 0.3 . 1 . . . . . 36 ASN CB . 51650 1
163 . 1 . 1 36 36 ASN N N 15 119.387 0.3 . 1 . . . . . 36 ASN N . 51650 1
164 . 1 . 1 37 37 SER H H 1 8.126 0.02 . 1 . . . . . 37 SER H . 51650 1
165 . 1 . 1 37 37 SER C C 13 175.392 0.3 . 1 . . . . . 37 SER C . 51650 1
166 . 1 . 1 37 37 SER CA C 13 58.514 0.3 . 1 . . . . . 37 SER CA . 51650 1
167 . 1 . 1 37 37 SER CB C 13 63.4 0.3 . 1 . . . . . 37 SER CB . 51650 1
168 . 1 . 1 37 37 SER N N 15 115.852 0.3 . 1 . . . . . 37 SER N . 51650 1
169 . 1 . 1 38 38 SER H H 1 8.144 0.02 . 1 . . . . . 38 SER H . 51650 1
170 . 1 . 1 38 38 SER C C 13 176.22 0.3 . 1 . . . . . 38 SER C . 51650 1
171 . 1 . 1 38 38 SER CA C 13 58.349 0.3 . 1 . . . . . 38 SER CA . 51650 1
172 . 1 . 1 38 38 SER CB C 13 63.509 0.3 . 1 . . . . . 38 SER CB . 51650 1
173 . 1 . 1 38 38 SER N N 15 117.382 0.3 . 1 . . . . . 38 SER N . 51650 1
174 . 1 . 1 39 39 ASN H H 1 8.165 0.02 . 1 . . . . . 39 ASN H . 51650 1
175 . 1 . 1 39 39 ASN C C 13 174.878 0.3 . 1 . . . . . 39 ASN C . 51650 1
176 . 1 . 1 39 39 ASN CA C 13 53.024 0.3 . 1 . . . . . 39 ASN CA . 51650 1
177 . 1 . 1 39 39 ASN CB C 13 38.366 0.3 . 1 . . . . . 39 ASN CB . 51650 1
178 . 1 . 1 39 39 ASN N N 15 120.156 0.3 . 1 . . . . . 39 ASN N . 51650 1
179 . 1 . 1 40 40 TYR H H 1 7.835 0.02 . 1 . . . . . 40 TYR H . 51650 1
180 . 1 . 1 40 40 TYR C C 13 175.392 0.3 . 1 . . . . . 40 TYR C . 51650 1
181 . 1 . 1 40 40 TYR CA C 13 58.02 0.3 . 1 . . . . . 40 TYR CA . 51650 1
182 . 1 . 1 40 40 TYR CB C 13 38.256 0.3 . 1 . . . . . 40 TYR CB . 51650 1
183 . 1 . 1 40 40 TYR N N 15 120.32 0.3 . 1 . . . . . 40 TYR N . 51650 1
184 . 1 . 1 41 41 ASN H H 1 8.046 0.02 . 1 . . . . . 41 ASN H . 51650 1
185 . 1 . 1 41 41 ASN C C 13 174.605 0.3 . 1 . . . . . 41 ASN C . 51650 1
186 . 1 . 1 41 41 ASN CA C 13 52.749 0.3 . 1 . . . . . 41 ASN CA . 51650 1
187 . 1 . 1 41 41 ASN CB C 13 38.421 0.3 . 1 . . . . . 41 ASN CB . 51650 1
188 . 1 . 1 41 41 ASN N N 15 119.875 0.3 . 1 . . . . . 41 ASN N . 51650 1
189 . 1 . 1 44 44 ASN H H 1 8.04 0.02 . 1 . . . . . 44 ASN H . 51650 1
190 . 1 . 1 44 44 ASN C C 13 175.006 0.3 . 1 . . . . . 44 ASN C . 51650 1
191 . 1 . 1 44 44 ASN CA C 13 52.969 0.3 . 1 . . . . . 44 ASN CA . 51650 1
192 . 1 . 1 44 44 ASN CB C 13 38.366 0.3 . 1 . . . . . 44 ASN CB . 51650 1
193 . 1 . 1 44 44 ASN N N 15 118.036 0.3 . 1 . . . . . 44 ASN N . 51650 1
194 . 1 . 1 45 45 GLY H H 1 7.942 0.02 . 1 . . . . . 45 GLY H . 51650 1
195 . 1 . 1 45 45 GLY C C 13 176.275 0.3 . 1 . . . . . 45 GLY C . 51650 1
196 . 1 . 1 45 45 GLY CA C 13 44.624 0.3 . 1 . . . . . 45 GLY CA . 51650 1
197 . 1 . 1 45 45 GLY N N 15 120.502 0.3 . 1 . . . . . 45 GLY N . 51650 1
198 . 1 . 1 48 48 ASN H H 1 8.293 0.02 . 1 . . . . . 48 ASN H . 51650 1
199 . 1 . 1 48 48 ASN C C 13 175.448 0.3 . 1 . . . . . 48 ASN C . 51650 1
200 . 1 . 1 48 48 ASN CA C 13 52.585 0.3 . 1 . . . . . 48 ASN CA . 51650 1
201 . 1 . 1 48 48 ASN CB C 13 38.421 0.3 . 1 . . . . . 48 ASN CB . 51650 1
202 . 1 . 1 48 48 ASN N N 15 121.853 0.3 . 1 . . . . . 48 ASN N . 51650 1
203 . 1 . 1 49 49 GLY H H 1 7.438 0.02 . 1 . . . . . 49 GLY H . 51650 1
204 . 1 . 1 49 49 GLY C C 13 174.46 0.3 . 1 . . . . . 49 GLY C . 51650 1
205 . 1 . 1 49 49 GLY CA C 13 45.338 0.3 . 1 . . . . . 49 GLY CA . 51650 1
206 . 1 . 1 49 49 GLY N N 15 107.788 0.3 . 1 . . . . . 49 GLY N . 51650 1
207 . 1 . 1 50 50 GLY H H 1 7.845 0.02 . 1 . . . . . 50 GLY H . 51650 1
208 . 1 . 1 50 50 GLY C C 13 174.259 0.3 . 1 . . . . . 50 GLY C . 51650 1
209 . 1 . 1 50 50 GLY CA C 13 44.844 0.3 . 1 . . . . . 50 GLY CA . 51650 1
210 . 1 . 1 50 50 GLY N N 15 107.883 0.3 . 1 . . . . . 50 GLY N . 51650 1
211 . 1 . 1 51 51 ARG H H 1 7.936 0.02 . 1 . . . . . 51 ARG H . 51650 1
212 . 1 . 1 51 51 ARG C C 13 176.926 0.3 . 1 . . . . . 51 ARG C . 51650 1
213 . 1 . 1 51 51 ARG CA C 13 57.965 0.3 . 1 . . . . . 51 ARG CA . 51650 1
214 . 1 . 1 51 51 ARG CB C 13 30.131 0.3 . 1 . . . . . 51 ARG CB . 51650 1
215 . 1 . 1 51 51 ARG N N 15 120.065 0.3 . 1 . . . . . 51 ARG N . 51650 1
216 . 1 . 1 55 55 SER H H 1 7.982 0.02 . 1 . . . . . 55 SER H . 51650 1
217 . 1 . 1 55 55 SER C C 13 174.098 0.3 . 1 . . . . . 55 SER C . 51650 1
218 . 1 . 1 55 55 SER CA C 13 58.133 0.3 . 1 . . . . . 55 SER CA . 51650 1
219 . 1 . 1 55 55 SER CB C 13 63.509 0.3 . 1 . . . . . 55 SER CB . 51650 1
220 . 1 . 1 55 55 SER N N 15 115.169 0.3 . 1 . . . . . 55 SER N . 51650 1
221 . 1 . 1 56 56 PHE H H 1 8.034 0.02 . 1 . . . . . 56 PHE H . 51650 1
222 . 1 . 1 56 56 PHE C C 13 175.352 0.3 . 1 . . . . . 56 PHE C . 51650 1
223 . 1 . 1 56 56 PHE CA C 13 58.129 0.3 . 1 . . . . . 56 PHE CA . 51650 1
224 . 1 . 1 56 56 PHE CB C 13 39.244 0.3 . 1 . . . . . 56 PHE CB . 51650 1
225 . 1 . 1 56 56 PHE N N 15 121.853 0.3 . 1 . . . . . 56 PHE N . 51650 1
226 . 1 . 1 57 57 PHE H H 1 7.918 0.02 . 1 . . . . . 57 PHE H . 51650 1
227 . 1 . 1 57 57 PHE C C 13 175.448 0.3 . 1 . . . . . 57 PHE C . 51650 1
228 . 1 . 1 57 57 PHE CA C 13 57.8 0.3 . 1 . . . . . 57 PHE CA . 51650 1
229 . 1 . 1 57 57 PHE CB C 13 39.409 0.3 . 1 . . . . . 57 PHE CB . 51650 1
230 . 1 . 1 57 57 PHE N N 15 120.45 0.3 . 1 . . . . . 57 PHE N . 51650 1
231 . 1 . 1 58 58 SER H H 1 7.885 0.02 . 1 . . . . . 58 SER H . 51650 1
232 . 1 . 1 58 58 SER C C 13 174.131 0.3 . 1 . . . . . 58 SER C . 51650 1
233 . 1 . 1 58 58 SER CA C 13 58.074 0.3 . 1 . . . . . 58 SER CA . 51650 1
234 . 1 . 1 58 58 SER CB C 13 63.454 0.3 . 1 . . . . . 58 SER CB . 51650 1
235 . 1 . 1 58 58 SER N N 15 116.526 0.3 . 1 . . . . . 58 SER N . 51650 1
236 . 1 . 1 59 59 ASN H H 1 8.061 0.02 . 1 . . . . . 59 ASN H . 51650 1
237 . 1 . 1 59 59 ASN C C 13 174.829 0.3 . 1 . . . . . 59 ASN C . 51650 1
238 . 1 . 1 59 59 ASN CA C 13 52.859 0.3 . 1 . . . . . 59 ASN CA . 51650 1
239 . 1 . 1 59 59 ASN CB C 13 38.476 0.3 . 1 . . . . . 59 ASN CB . 51650 1
240 . 1 . 1 59 59 ASN N N 15 119.784 0.3 . 1 . . . . . 59 ASN N . 51650 1
241 . 1 . 1 62 62 ARG H H 1 8.249 0.02 . 1 . . . . . 62 ARG H . 51650 1
242 . 1 . 1 62 62 ARG C C 13 176.589 0.3 . 1 . . . . . 62 ARG C . 51650 1
243 . 1 . 1 62 62 ARG CA C 13 56.373 0.3 . 1 . . . . . 62 ARG CA . 51650 1
244 . 1 . 1 62 62 ARG CB C 13 29.857 0.3 . 1 . . . . . 62 ARG CB . 51650 1
245 . 1 . 1 62 62 ARG N N 15 120.132 0.3 . 1 . . . . . 62 ARG N . 51650 1
246 . 1 . 1 63 63 GLY H H 1 8.148 0.02 . 1 . . . . . 63 GLY H . 51650 1
247 . 1 . 1 63 63 GLY C C 13 174.211 0.3 . 1 . . . . . 63 GLY C . 51650 1
248 . 1 . 1 63 63 GLY CA C 13 44.954 0.3 . 1 . . . . . 63 GLY CA . 51650 1
249 . 1 . 1 63 63 GLY N N 15 109.619 0.3 . 1 . . . . . 63 GLY N . 51650 1
250 . 1 . 1 64 64 GLY H H 1 7.928 0.02 . 1 . . . . . 64 GLY H . 51650 1
251 . 1 . 1 64 64 GLY C C 13 173.737 0.3 . 1 . . . . . 64 GLY C . 51650 1
252 . 1 . 1 64 64 GLY CA C 13 44.734 0.3 . 1 . . . . . 64 GLY CA . 51650 1
253 . 1 . 1 64 64 GLY N N 15 108.157 0.3 . 1 . . . . . 64 GLY N . 51650 1
254 . 1 . 1 65 65 TYR H H 1 7.958 0.02 . 1 . . . . . 65 TYR H . 51650 1
255 . 1 . 1 65 65 TYR C C 13 176.452 0.3 . 1 . . . . . 65 TYR C . 51650 1
256 . 1 . 1 65 65 TYR CA C 13 58.184 0.3 . 1 . . . . . 65 TYR CA . 51650 1
257 . 1 . 1 65 65 TYR CB C 13 38.531 0.3 . 1 . . . . . 65 TYR CB . 51650 1
258 . 1 . 1 65 65 TYR N N 15 119.672 0.3 . 1 . . . . . 65 TYR N . 51650 1
259 . 1 . 1 66 66 GLY H H 1 8.17 0.02 . 1 . . . . . 66 GLY H . 51650 1
260 . 1 . 1 66 66 GLY C C 13 173.906 0.3 . 1 . . . . . 66 GLY C . 51650 1
261 . 1 . 1 66 66 GLY CA C 13 45.064 0.3 . 1 . . . . . 66 GLY CA . 51650 1
262 . 1 . 1 66 66 GLY N N 15 110.519 0.3 . 1 . . . . . 66 GLY N . 51650 1
263 . 1 . 1 67 67 ASN H H 1 8.114 0.02 . 1 . . . . . 67 ASN H . 51650 1
264 . 1 . 1 67 67 ASN C C 13 175.868 0.3 . 1 . . . . . 67 ASN C . 51650 1
265 . 1 . 1 67 67 ASN CA C 13 52.969 0.3 . 1 . . . . . 67 ASN CA . 51650 1
266 . 1 . 1 67 67 ASN CB C 13 38.586 0.3 . 1 . . . . . 67 ASN CB . 51650 1
267 . 1 . 1 67 67 ASN N N 15 118.44 0.3 . 1 . . . . . 67 ASN N . 51650 1
268 . 1 . 1 68 68 GLY H H 1 8.266 0.02 . 1 . . . . . 68 GLY H . 51650 1
269 . 1 . 1 68 68 GLY C C 13 174.42 0.3 . 1 . . . . . 68 GLY C . 51650 1
270 . 1 . 1 68 68 GLY CA C 13 45.064 0.3 . 1 . . . . . 68 GLY CA . 51650 1
271 . 1 . 1 68 68 GLY N N 15 109.121 0.3 . 1 . . . . . 68 GLY N . 51650 1
272 . 1 . 1 69 69 GLY H H 1 7.912 0.02 . 1 . . . . . 69 GLY H . 51650 1
273 . 1 . 1 69 69 GLY C C 13 173.44 0.3 . 1 . . . . . 69 GLY C . 51650 1
274 . 1 . 1 69 69 GLY CA C 13 44.734 0.3 . 1 . . . . . 69 GLY CA . 51650 1
275 . 1 . 1 69 69 GLY N N 15 107.913 0.3 . 1 . . . . . 69 GLY N . 51650 1
276 . 1 . 1 70 70 PHE H H 1 7.832 0.02 . 1 . . . . . 70 PHE H . 51650 1
277 . 1 . 1 70 70 PHE C C 13 175.408 0.3 . 1 . . . . . 70 PHE C . 51650 1
278 . 1 . 1 70 70 PHE CA C 13 57.69 0.3 . 1 . . . . . 70 PHE CA . 51650 1
279 . 1 . 1 70 70 PHE CB C 13 39.299 0.3 . 1 . . . . . 70 PHE CB . 51650 1
280 . 1 . 1 70 70 PHE N N 15 119.689 0.3 . 1 . . . . . 70 PHE N . 51650 1
281 . 1 . 1 71 71 PHE H H 1 8.148 0.02 . 1 . . . . . 71 PHE H . 51650 1
282 . 1 . 1 71 71 PHE C C 13 175.777 0.3 . 1 . . . . . 71 PHE C . 51650 1
283 . 1 . 1 71 71 PHE CA C 13 57.471 0.3 . 1 . . . . . 71 PHE CA . 51650 1
284 . 1 . 1 71 71 PHE CB C 13 39.299 0.3 . 1 . . . . . 71 PHE CB . 51650 1
285 . 1 . 1 71 71 PHE N N 15 121.871 0.3 . 1 . . . . . 71 PHE N . 51650 1
286 . 1 . 1 72 72 GLY H H 1 7.751 0.02 . 1 . . . . . 72 GLY H . 51650 1
287 . 1 . 1 72 72 GLY C C 13 174.291 0.3 . 1 . . . . . 72 GLY C . 51650 1
288 . 1 . 1 72 72 GLY CA C 13 45.009 0.3 . 1 . . . . . 72 GLY CA . 51650 1
289 . 1 . 1 72 72 GLY N N 15 110.233 0.3 . 1 . . . . . 72 GLY N . 51650 1
290 . 1 . 1 73 73 GLY H H 1 7.655 0.02 . 1 . . . . . 73 GLY H . 51650 1
291 . 1 . 1 73 73 GLY C C 13 173.753 0.3 . 1 . . . . . 73 GLY C . 51650 1
292 . 1 . 1 73 73 GLY CA C 13 44.899 0.3 . 1 . . . . . 73 GLY CA . 51650 1
293 . 1 . 1 73 73 GLY N N 15 107.778 0.3 . 1 . . . . . 73 GLY N . 51650 1
294 . 1 . 1 74 74 ASN H H 1 8.164 0.02 . 1 . . . . . 74 ASN H . 51650 1
295 . 1 . 1 74 74 ASN C C 13 175.119 0.3 . 1 . . . . . 74 ASN C . 51650 1
296 . 1 . 1 74 74 ASN CA C 13 53.024 0.3 . 1 . . . . . 74 ASN CA . 51650 1
297 . 1 . 1 74 74 ASN CB C 13 38.421 0.3 . 1 . . . . . 74 ASN CB . 51650 1
298 . 1 . 1 74 74 ASN N N 15 118.172 0.3 . 1 . . . . . 74 ASN N . 51650 1
299 . 1 . 1 75 75 ASN H H 1 8.315 0.02 . 1 . . . . . 75 ASN H . 51650 1
300 . 1 . 1 75 75 ASN C C 13 175.689 0.3 . 1 . . . . . 75 ASN C . 51650 1
301 . 1 . 1 75 75 ASN CA C 13 52.914 0.3 . 1 . . . . . 75 ASN CA . 51650 1
302 . 1 . 1 75 75 ASN CB C 13 38.531 0.3 . 1 . . . . . 75 ASN CB . 51650 1
303 . 1 . 1 75 75 ASN N N 15 118.999 0.3 . 1 . . . . . 75 ASN N . 51650 1
304 . 1 . 1 76 76 GLY H H 1 8.179 0.02 . 1 . . . . . 76 GLY H . 51650 1
305 . 1 . 1 76 76 GLY C C 13 174.621 0.3 . 1 . . . . . 76 GLY C . 51650 1
306 . 1 . 1 76 76 GLY CA C 13 45.338 0.3 . 1 . . . . . 76 GLY CA . 51650 1
307 . 1 . 1 76 76 GLY N N 15 108.865 0.3 . 1 . . . . . 76 GLY N . 51650 1
308 . 1 . 1 77 77 GLY H H 1 7.99 0.02 . 1 . . . . . 77 GLY H . 51650 1
309 . 1 . 1 77 77 GLY C C 13 174.034 0.3 . 1 . . . . . 77 GLY C . 51650 1
310 . 1 . 1 77 77 GLY CA C 13 44.899 0.3 . 1 . . . . . 77 GLY CA . 51650 1
311 . 1 . 1 77 77 GLY N N 15 108.335 0.3 . 1 . . . . . 77 GLY N . 51650 1
312 . 1 . 1 78 78 SER H H 1 8.009 0.02 . 1 . . . . . 78 SER H . 51650 1
313 . 1 . 1 78 78 SER C C 13 174.42 0.3 . 1 . . . . . 78 SER C . 51650 1
314 . 1 . 1 78 78 SER CA C 13 58.129 0.3 . 1 . . . . . 78 SER CA . 51650 1
315 . 1 . 1 78 78 SER CB C 13 63.564 0.3 . 1 . . . . . 78 SER CB . 51650 1
316 . 1 . 1 78 78 SER N N 15 115.328 0.3 . 1 . . . . . 78 SER N . 51650 1
317 . 1 . 1 79 79 ARG H H 1 8.213 0.02 . 1 . . . . . 79 ARG H . 51650 1
318 . 1 . 1 79 79 ARG C C 13 176.034 0.3 . 1 . . . . . 79 ARG C . 51650 1
319 . 1 . 1 79 79 ARG CA C 13 55.714 0.3 . 1 . . . . . 79 ARG CA . 51650 1
320 . 1 . 1 79 79 ARG CB C 13 30.625 0.3 . 1 . . . . . 79 ARG CB . 51650 1
321 . 1 . 1 79 79 ARG N N 15 122.683 0.3 . 1 . . . . . 79 ARG N . 51650 1
322 . 1 . 1 80 80 SER H H 1 8.174 0.02 . 1 . . . . . 80 SER H . 51650 1
323 . 1 . 1 80 80 SER C C 13 173.183 0.3 . 1 . . . . . 80 SER C . 51650 1
324 . 1 . 1 80 80 SER CA C 13 58.184 0.3 . 1 . . . . . 80 SER CA . 51650 1
325 . 1 . 1 80 80 SER CB C 13 63.674 0.3 . 1 . . . . . 80 SER CB . 51650 1
326 . 1 . 1 80 80 SER N N 15 117.166 0.3 . 1 . . . . . 80 SER N . 51650 1
327 . 1 . 1 81 81 ASN H H 1 7.873 0.02 . 1 . . . . . 81 ASN H . 51650 1
328 . 1 . 1 81 81 ASN C C 13 179.44 0.3 . 1 . . . . . 81 ASN C . 51650 1
329 . 1 . 1 81 81 ASN CA C 13 54.561 0.3 . 1 . . . . . 81 ASN CA . 51650 1
330 . 1 . 1 81 81 ASN CB C 13 39.848 0.3 . 1 . . . . . 81 ASN CB . 51650 1
331 . 1 . 1 81 81 ASN N N 15 125.598 0.3 . 1 . . . . . 81 ASN N . 51650 1
stop_
save_