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 52513
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'Small hydrophobic protein in TFE sample'
_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' . . . 52513 1
2 '2D 1H-13C HSQC' . . . 52513 1
3 '3D HNCO' . . . 52513 1
4 '3D HNCACO' . . . 52513 1
5 '3D HNCACB' . . . 52513 1
6 '3D HN(CO)CACB' . . . 52513 1
7 '3D HNCA' . . . 52513 1
8 '3D HN(CO)CA' . . . 52513 1
9 '3D 15N-separated NOESY' . . . 52513 1
10 '3D HCCH-TOCSY' . . . 52513 1
11 '3D (H)CCH-TOCSY' . . . 52513 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 . . 52513 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 3 3 PRO HA H 1 4.506 0.000 . 1 . . . . . 3 PRO HA . 52513 1
2 . 1 . 1 3 3 PRO C C 13 176.130 0.012 . 1 . . . . . 3 PRO C . 52513 1
3 . 1 . 1 3 3 PRO CA C 13 63.645 0.030 . 1 . . . . . 3 PRO CA . 52513 1
4 . 1 . 1 3 3 PRO CB C 13 31.641 0.019 . 1 . . . . . 3 PRO CB . 52513 1
5 . 1 . 1 4 4 ALA H H 1 7.757 0.002 . 1 . . . . . 4 ALA H . 52513 1
6 . 1 . 1 4 4 ALA HA H 1 4.365 0.000 . 1 . . . . . 4 ALA HA . 52513 1
7 . 1 . 1 4 4 ALA HB1 H 1 1.409 0.002 . 1 . . . . . 4 ALA HB1 . 52513 1
8 . 1 . 1 4 4 ALA HB2 H 1 1.409 0.002 . 1 . . . . . 4 ALA HB2 . 52513 1
9 . 1 . 1 4 4 ALA HB3 H 1 1.409 0.002 . 1 . . . . . 4 ALA HB3 . 52513 1
10 . 1 . 1 4 4 ALA C C 13 177.003 0.003 . 1 . . . . . 4 ALA C . 52513 1
11 . 1 . 1 4 4 ALA CA C 13 52.612 0.054 . 1 . . . . . 4 ALA CA . 52513 1
12 . 1 . 1 4 4 ALA CB C 13 18.695 0.034 . 1 . . . . . 4 ALA CB . 52513 1
13 . 1 . 1 4 4 ALA N N 15 122.081 0.008 . 1 . . . . . 4 ALA N . 52513 1
14 . 1 . 1 5 5 ILE H H 1 7.378 0.004 . 1 . . . . . 5 ILE H . 52513 1
15 . 1 . 1 5 5 ILE HA H 1 4.236 0.003 . 1 . . . . . 5 ILE HA . 52513 1
16 . 1 . 1 5 5 ILE HB H 1 1.921 0.000 . 1 . . . . . 5 ILE HB . 52513 1
17 . 1 . 1 5 5 ILE C C 13 175.108 0.006 . 1 . . . . . 5 ILE C . 52513 1
18 . 1 . 1 5 5 ILE CA C 13 60.836 0.029 . 1 . . . . . 5 ILE CA . 52513 1
19 . 1 . 1 5 5 ILE CB C 13 38.987 0.035 . 1 . . . . . 5 ILE CB . 52513 1
20 . 1 . 1 5 5 ILE N N 15 117.802 0.028 . 1 . . . . . 5 ILE N . 52513 1
21 . 1 . 1 6 6 GLN H H 1 7.684 0.004 . 1 . . . . . 6 GLN H . 52513 1
22 . 1 . 1 6 6 GLN HA H 1 4.761 0.002 . 1 . . . . . 6 GLN HA . 52513 1
23 . 1 . 1 6 6 GLN HB2 H 1 2.166 0.000 . 1 . . . . . 6 GLN HB2 . 52513 1
24 . 1 . 1 6 6 GLN HG2 H 1 2.413 0.000 . 1 . . . . . 6 GLN HG2 . 52513 1
25 . 1 . 1 6 6 GLN C C 13 173.552 0.000 . 1 . . . . . 6 GLN C . 52513 1
26 . 1 . 1 6 6 GLN CA C 13 53.464 0.014 . 1 . . . . . 6 GLN CA . 52513 1
27 . 1 . 1 6 6 GLN CB C 13 29.406 0.047 . 1 . . . . . 6 GLN CB . 52513 1
28 . 1 . 1 6 6 GLN CG C 13 33.377 0.000 . 1 . . . . . 6 GLN CG . 52513 1
29 . 1 . 1 6 6 GLN N N 15 123.780 0.019 . 1 . . . . . 6 GLN N . 52513 1
30 . 1 . 1 8 8 PRO C C 13 177.767 0.024 . 1 . . . . . 8 PRO C . 52513 1
31 . 1 . 1 8 8 PRO CA C 13 63.920 0.027 . 1 . . . . . 8 PRO CA . 52513 1
32 . 1 . 1 8 8 PRO CB C 13 30.589 0.006 . 1 . . . . . 8 PRO CB . 52513 1
33 . 1 . 1 9 9 LEU H H 1 7.706 0.003 . 1 . . . . . 9 LEU H . 52513 1
34 . 1 . 1 9 9 LEU C C 13 177.882 0.011 . 1 . . . . . 9 LEU C . 52513 1
35 . 1 . 1 9 9 LEU CA C 13 57.547 0.051 . 1 . . . . . 9 LEU CA . 52513 1
36 . 1 . 1 9 9 LEU CB C 13 42.146 0.027 . 1 . . . . . 9 LEU CB . 52513 1
37 . 1 . 1 9 9 LEU N N 15 121.198 0.026 . 1 . . . . . 9 LEU N . 52513 1
38 . 1 . 1 10 10 TYR H H 1 7.319 0.004 . 1 . . . . . 10 TYR H . 52513 1
39 . 1 . 1 10 10 TYR HA H 1 4.408 0.000 . 1 . . . . . 10 TYR HA . 52513 1
40 . 1 . 1 10 10 TYR C C 13 176.810 0.009 . 1 . . . . . 10 TYR C . 52513 1
41 . 1 . 1 10 10 TYR CA C 13 59.586 0.039 . 1 . . . . . 10 TYR CA . 52513 1
42 . 1 . 1 10 10 TYR CB C 13 37.742 0.045 . 1 . . . . . 10 TYR CB . 52513 1
43 . 1 . 1 10 10 TYR N N 15 116.301 0.046 . 1 . . . . . 10 TYR N . 52513 1
44 . 1 . 1 11 11 LEU H H 1 7.521 0.004 . 1 . . . . . 11 LEU H . 52513 1
45 . 1 . 1 11 11 LEU C C 13 178.084 0.005 . 1 . . . . . 11 LEU C . 52513 1
46 . 1 . 1 11 11 LEU CA C 13 57.630 0.028 . 1 . . . . . 11 LEU CA . 52513 1
47 . 1 . 1 11 11 LEU CB C 13 41.943 0.012 . 1 . . . . . 11 LEU CB . 52513 1
48 . 1 . 1 11 11 LEU N N 15 119.647 0.048 . 1 . . . . . 11 LEU N . 52513 1
49 . 1 . 1 12 12 THR H H 1 7.541 0.003 . 1 . . . . . 12 THR H . 52513 1
50 . 1 . 1 12 12 THR C C 13 175.358 0.011 . 1 . . . . . 12 THR C . 52513 1
51 . 1 . 1 12 12 THR CA C 13 66.587 0.069 . 1 . . . . . 12 THR CA . 52513 1
52 . 1 . 1 12 12 THR CB C 13 69.315 0.000 . 1 . . . . . 12 THR CB . 52513 1
53 . 1 . 1 12 12 THR N N 15 112.928 0.038 . 1 . . . . . 12 THR N . 52513 1
54 . 1 . 1 13 13 PHE H H 1 7.591 0.002 . 1 . . . . . 13 PHE H . 52513 1
55 . 1 . 1 13 13 PHE HA H 1 4.422 0.001 . 1 . . . . . 13 PHE HA . 52513 1
56 . 1 . 1 13 13 PHE C C 13 176.827 0.006 . 1 . . . . . 13 PHE C . 52513 1
57 . 1 . 1 13 13 PHE CA C 13 60.582 0.047 . 1 . . . . . 13 PHE CA . 52513 1
58 . 1 . 1 13 13 PHE CB C 13 38.638 0.032 . 1 . . . . . 13 PHE CB . 52513 1
59 . 1 . 1 13 13 PHE N N 15 120.108 0.018 . 1 . . . . . 13 PHE N . 52513 1
60 . 1 . 1 14 14 LEU H H 1 7.689 0.003 . 1 . . . . . 14 LEU H . 52513 1
61 . 1 . 1 14 14 LEU C C 13 178.644 0.036 . 1 . . . . . 14 LEU C . 52513 1
62 . 1 . 1 14 14 LEU CA C 13 58.173 0.005 . 1 . . . . . 14 LEU CA . 52513 1
63 . 1 . 1 14 14 LEU CB C 13 41.804 0.132 . 1 . . . . . 14 LEU CB . 52513 1
64 . 1 . 1 14 14 LEU N N 15 118.777 0.035 . 1 . . . . . 14 LEU N . 52513 1
65 . 1 . 1 15 15 LEU H H 1 7.877 0.003 . 1 . . . . . 15 LEU H . 52513 1
66 . 1 . 1 15 15 LEU C C 13 178.597 0.002 . 1 . . . . . 15 LEU C . 52513 1
67 . 1 . 1 15 15 LEU CA C 13 58.108 0.000 . 1 . . . . . 15 LEU CA . 52513 1
68 . 1 . 1 15 15 LEU CB C 13 41.650 0.043 . 1 . . . . . 15 LEU CB . 52513 1
69 . 1 . 1 15 15 LEU N N 15 118.368 0.020 . 1 . . . . . 15 LEU N . 52513 1
70 . 1 . 1 16 16 LEU H H 1 7.755 0.005 . 1 . . . . . 16 LEU H . 52513 1
71 . 1 . 1 16 16 LEU C C 13 179.460 0.008 . 1 . . . . . 16 LEU C . 52513 1
72 . 1 . 1 16 16 LEU CA C 13 58.194 0.046 . 1 . . . . . 16 LEU CA . 52513 1
73 . 1 . 1 16 16 LEU CB C 13 41.654 0.000 . 1 . . . . . 16 LEU CB . 52513 1
74 . 1 . 1 16 16 LEU N N 15 118.796 0.064 . 1 . . . . . 16 LEU N . 52513 1
75 . 1 . 1 17 17 ILE H H 1 7.824 0.003 . 1 . . . . . 17 ILE H . 52513 1
76 . 1 . 1 17 17 ILE C C 13 177.751 0.002 . 1 . . . . . 17 ILE C . 52513 1
77 . 1 . 1 17 17 ILE CA C 13 64.748 0.030 . 1 . . . . . 17 ILE CA . 52513 1
78 . 1 . 1 17 17 ILE CB C 13 37.488 0.022 . 1 . . . . . 17 ILE CB . 52513 1
79 . 1 . 1 17 17 ILE N N 15 120.181 0.044 . 1 . . . . . 17 ILE N . 52513 1
80 . 1 . 1 18 18 LEU H H 1 8.102 0.005 . 1 . . . . . 18 LEU H . 52513 1
81 . 1 . 1 18 18 LEU C C 13 178.768 0.010 . 1 . . . . . 18 LEU C . 52513 1
82 . 1 . 1 18 18 LEU CA C 13 58.565 0.052 . 1 . . . . . 18 LEU CA . 52513 1
83 . 1 . 1 18 18 LEU CB C 13 41.643 0.057 . 1 . . . . . 18 LEU CB . 52513 1
84 . 1 . 1 18 18 LEU N N 15 120.916 0.028 . 1 . . . . . 18 LEU N . 52513 1
85 . 1 . 1 19 19 LEU H H 1 8.301 0.006 . 1 . . . . . 19 LEU H . 52513 1
86 . 1 . 1 19 19 LEU C C 13 178.362 0.009 . 1 . . . . . 19 LEU C . 52513 1
87 . 1 . 1 19 19 LEU CA C 13 58.442 0.126 . 1 . . . . . 19 LEU CA . 52513 1
88 . 1 . 1 19 19 LEU N N 15 118.573 0.033 . 1 . . . . . 19 LEU N . 52513 1
89 . 1 . 1 20 20 TYR H H 1 8.017 0.003 . 1 . . . . . 20 TYR H . 52513 1
90 . 1 . 1 20 20 TYR C C 13 179.141 0.026 . 1 . . . . . 20 TYR C . 52513 1
91 . 1 . 1 20 20 TYR CA C 13 61.787 0.032 . 1 . . . . . 20 TYR CA . 52513 1
92 . 1 . 1 20 20 TYR CB C 13 38.025 0.000 . 1 . . . . . 20 TYR CB . 52513 1
93 . 1 . 1 20 20 TYR N N 15 118.946 0.030 . 1 . . . . . 20 TYR N . 52513 1
94 . 1 . 1 21 21 LEU H H 1 8.568 0.004 . 1 . . . . . 21 LEU H . 52513 1
95 . 1 . 1 21 21 LEU C C 13 178.823 0.007 . 1 . . . . . 21 LEU C . 52513 1
96 . 1 . 1 21 21 LEU CA C 13 58.654 0.039 . 1 . . . . . 21 LEU CA . 52513 1
97 . 1 . 1 21 21 LEU CB C 13 41.698 0.058 . 1 . . . . . 21 LEU CB . 52513 1
98 . 1 . 1 21 21 LEU N N 15 123.396 0.042 . 1 . . . . . 21 LEU N . 52513 1
99 . 1 . 1 22 22 ILE H H 1 8.483 0.002 . 1 . . . . . 22 ILE H . 52513 1
100 . 1 . 1 22 22 ILE C C 13 178.190 0.005 . 1 . . . . . 22 ILE C . 52513 1
101 . 1 . 1 22 22 ILE CA C 13 65.598 0.041 . 1 . . . . . 22 ILE CA . 52513 1
102 . 1 . 1 22 22 ILE N N 15 120.708 0.012 . 1 . . . . . 22 ILE N . 52513 1
103 . 1 . 1 23 23 ILE H H 1 8.578 0.003 . 1 . . . . . 23 ILE H . 52513 1
104 . 1 . 1 23 23 ILE C C 13 177.829 0.019 . 1 . . . . . 23 ILE C . 52513 1
105 . 1 . 1 23 23 ILE CA C 13 65.520 0.027 . 1 . . . . . 23 ILE CA . 52513 1
106 . 1 . 1 23 23 ILE N N 15 120.188 0.051 . 1 . . . . . 23 ILE N . 52513 1
107 . 1 . 1 24 24 THR H H 1 7.909 0.003 . 1 . . . . . 24 THR H . 52513 1
108 . 1 . 1 24 24 THR HA H 1 4.184 0.003 . 1 . . . . . 24 THR HA . 52513 1
109 . 1 . 1 24 24 THR C C 13 176.165 0.007 . 1 . . . . . 24 THR C . 52513 1
110 . 1 . 1 24 24 THR CA C 13 67.331 0.074 . 1 . . . . . 24 THR CA . 52513 1
111 . 1 . 1 24 24 THR N N 15 114.504 0.043 . 1 . . . . . 24 THR N . 52513 1
112 . 1 . 1 25 25 LEU H H 1 8.029 0.002 . 1 . . . . . 25 LEU H . 52513 1
113 . 1 . 1 25 25 LEU C C 13 178.158 0.007 . 1 . . . . . 25 LEU C . 52513 1
114 . 1 . 1 25 25 LEU CA C 13 58.423 0.060 . 1 . . . . . 25 LEU CA . 52513 1
115 . 1 . 1 25 25 LEU CB C 13 42.013 0.097 . 1 . . . . . 25 LEU CB . 52513 1
116 . 1 . 1 25 25 LEU N N 15 122.925 0.035 . 1 . . . . . 25 LEU N . 52513 1
117 . 1 . 1 26 26 TYR H H 1 8.335 0.003 . 1 . . . . . 26 TYR H . 52513 1
118 . 1 . 1 26 26 TYR C C 13 177.652 0.021 . 1 . . . . . 26 TYR C . 52513 1
119 . 1 . 1 26 26 TYR CA C 13 61.768 0.030 . 1 . . . . . 26 TYR CA . 52513 1
120 . 1 . 1 26 26 TYR CB C 13 38.193 0.036 . 1 . . . . . 26 TYR CB . 52513 1
121 . 1 . 1 26 26 TYR N N 15 119.579 0.031 . 1 . . . . . 26 TYR N . 52513 1
122 . 1 . 1 27 27 VAL H H 1 8.515 0.004 . 1 . . . . . 27 VAL H . 52513 1
123 . 1 . 1 27 27 VAL C C 13 177.475 0.005 . 1 . . . . . 27 VAL C . 52513 1
124 . 1 . 1 27 27 VAL CA C 13 67.291 0.059 . 1 . . . . . 27 VAL CA . 52513 1
125 . 1 . 1 27 27 VAL N N 15 118.983 0.018 . 1 . . . . . 27 VAL N . 52513 1
126 . 1 . 1 28 28 TRP H H 1 8.255 0.006 . 1 . . . . . 28 TRP H . 52513 1
127 . 1 . 1 28 28 TRP C C 13 179.984 0.005 . 1 . . . . . 28 TRP C . 52513 1
128 . 1 . 1 28 28 TRP CA C 13 61.401 0.054 . 1 . . . . . 28 TRP CA . 52513 1
129 . 1 . 1 28 28 TRP CB C 13 28.654 0.038 . 1 . . . . . 28 TRP CB . 52513 1
130 . 1 . 1 28 28 TRP N N 15 120.542 0.020 . 1 . . . . . 28 TRP N . 52513 1
131 . 1 . 1 29 29 ILE H H 1 8.759 0.002 . 1 . . . . . 29 ILE H . 52513 1
132 . 1 . 1 29 29 ILE C C 13 177.605 0.017 . 1 . . . . . 29 ILE C . 52513 1
133 . 1 . 1 29 29 ILE CA C 13 66.293 0.038 . 1 . . . . . 29 ILE CA . 52513 1
134 . 1 . 1 29 29 ILE N N 15 123.429 0.010 . 1 . . . . . 29 ILE N . 52513 1
135 . 1 . 1 30 30 ILE H H 1 8.331 0.003 . 1 . . . . . 30 ILE H . 52513 1
136 . 1 . 1 30 30 ILE C C 13 180.775 0.011 . 1 . . . . . 30 ILE C . 52513 1
137 . 1 . 1 30 30 ILE CA C 13 64.921 0.045 . 1 . . . . . 30 ILE CA . 52513 1
138 . 1 . 1 30 30 ILE N N 15 120.703 0.033 . 1 . . . . . 30 ILE N . 52513 1
139 . 1 . 1 31 31 LEU H H 1 9.060 0.003 . 1 . . . . . 31 LEU H . 52513 1
140 . 1 . 1 31 31 LEU C C 13 179.060 0.000 . 1 . . . . . 31 LEU C . 52513 1
141 . 1 . 1 31 31 LEU CA C 13 58.811 0.012 . 1 . . . . . 31 LEU CA . 52513 1
142 . 1 . 1 31 31 LEU N N 15 124.125 0.029 . 1 . . . . . 31 LEU N . 52513 1
143 . 1 . 1 32 32 THR H H 1 8.118 0.004 . 1 . . . . . 32 THR H . 52513 1
144 . 1 . 1 32 32 THR C C 13 176.771 0.000 . 1 . . . . . 32 THR C . 52513 1
145 . 1 . 1 32 32 THR CA C 13 67.555 0.000 . 1 . . . . . 32 THR CA . 52513 1
146 . 1 . 1 32 32 THR N N 15 116.173 0.022 . 1 . . . . . 32 THR N . 52513 1
147 . 1 . 1 33 33 VAL H H 1 8.853 0.006 . 1 . . . . . 33 VAL H . 52513 1
148 . 1 . 1 33 33 VAL C C 13 179.767 0.001 . 1 . . . . . 33 VAL C . 52513 1
149 . 1 . 1 33 33 VAL CA C 13 67.178 0.030 . 1 . . . . . 33 VAL CA . 52513 1
150 . 1 . 1 33 33 VAL N N 15 122.279 0.015 . 1 . . . . . 33 VAL N . 52513 1
151 . 1 . 1 34 34 THR H H 1 8.343 0.003 . 1 . . . . . 34 THR H . 52513 1
152 . 1 . 1 34 34 THR C C 13 175.812 0.000 . 1 . . . . . 34 THR C . 52513 1
153 . 1 . 1 34 34 THR CA C 13 67.788 0.089 . 1 . . . . . 34 THR CA . 52513 1
154 . 1 . 1 34 34 THR N N 15 119.759 0.077 . 1 . . . . . 34 THR N . 52513 1
155 . 1 . 1 35 35 TYR H H 1 8.427 0.002 . 1 . . . . . 35 TYR H . 52513 1
156 . 1 . 1 35 35 TYR C C 13 177.189 0.018 . 1 . . . . . 35 TYR C . 52513 1
157 . 1 . 1 35 35 TYR CA C 13 61.919 0.039 . 1 . . . . . 35 TYR CA . 52513 1
158 . 1 . 1 35 35 TYR N N 15 123.411 0.017 . 1 . . . . . 35 TYR N . 52513 1
159 . 1 . 1 36 36 LYS H H 1 8.498 0.004 . 1 . . . . . 36 LYS H . 52513 1
160 . 1 . 1 36 36 LYS C C 13 179.297 0.017 . 1 . . . . . 36 LYS C . 52513 1
161 . 1 . 1 36 36 LYS CA C 13 60.186 0.027 . 1 . . . . . 36 LYS CA . 52513 1
162 . 1 . 1 36 36 LYS N N 15 117.281 0.030 . 1 . . . . . 36 LYS N . 52513 1
163 . 1 . 1 37 37 THR H H 1 8.042 0.005 . 1 . . . . . 37 THR H . 52513 1
164 . 1 . 1 37 37 THR C C 13 175.802 0.001 . 1 . . . . . 37 THR C . 52513 1
165 . 1 . 1 37 37 THR CA C 13 66.923 0.063 . 1 . . . . . 37 THR CA . 52513 1
166 . 1 . 1 37 37 THR N N 15 115.311 0.019 . 1 . . . . . 37 THR N . 52513 1
167 . 1 . 1 38 38 ALA H H 1 8.254 0.004 . 1 . . . . . 38 ALA H . 52513 1
168 . 1 . 1 38 38 ALA C C 13 180.335 0.012 . 1 . . . . . 38 ALA C . 52513 1
169 . 1 . 1 38 38 ALA CA C 13 55.825 0.026 . 1 . . . . . 38 ALA CA . 52513 1
170 . 1 . 1 38 38 ALA N N 15 126.944 0.040 . 1 . . . . . 38 ALA N . 52513 1
171 . 1 . 1 39 39 VAL H H 1 8.197 0.004 . 1 . . . . . 39 VAL H . 52513 1
172 . 1 . 1 39 39 VAL C C 13 177.954 0.009 . 1 . . . . . 39 VAL C . 52513 1
173 . 1 . 1 39 39 VAL CA C 13 66.463 0.046 . 1 . . . . . 39 VAL CA . 52513 1
174 . 1 . 1 39 39 VAL CB C 13 31.515 0.023 . 1 . . . . . 39 VAL CB . 52513 1
175 . 1 . 1 39 39 VAL N N 15 118.257 0.047 . 1 . . . . . 39 VAL N . 52513 1
176 . 1 . 1 40 40 ARG H H 1 7.715 0.004 . 1 . . . . . 40 ARG H . 52513 1
177 . 1 . 1 40 40 ARG C C 13 178.291 0.006 . 1 . . . . . 40 ARG C . 52513 1
178 . 1 . 1 40 40 ARG CA C 13 59.596 0.048 . 1 . . . . . 40 ARG CA . 52513 1
179 . 1 . 1 40 40 ARG CB C 13 29.845 0.000 . 1 . . . . . 40 ARG CB . 52513 1
180 . 1 . 1 40 40 ARG N N 15 119.842 0.035 . 1 . . . . . 40 ARG N . 52513 1
181 . 1 . 1 41 41 HIS H H 1 8.174 0.007 . 1 . . . . . 41 HIS H . 52513 1
182 . 1 . 1 41 41 HIS C C 13 177.104 0.015 . 1 . . . . . 41 HIS C . 52513 1
183 . 1 . 1 41 41 HIS CA C 13 59.976 0.060 . 1 . . . . . 41 HIS CA . 52513 1
184 . 1 . 1 41 41 HIS CB C 13 29.690 0.000 . 1 . . . . . 41 HIS CB . 52513 1
185 . 1 . 1 41 41 HIS N N 15 117.931 0.054 . 1 . . . . . 41 HIS N . 52513 1
186 . 1 . 1 42 42 ALA H H 1 8.261 0.003 . 1 . . . . . 42 ALA H . 52513 1
187 . 1 . 1 42 42 ALA C C 13 179.945 0.007 . 1 . . . . . 42 ALA C . 52513 1
188 . 1 . 1 42 42 ALA CA C 13 55.357 0.094 . 1 . . . . . 42 ALA CA . 52513 1
189 . 1 . 1 42 42 ALA CB C 13 17.626 0.010 . 1 . . . . . 42 ALA CB . 52513 1
190 . 1 . 1 42 42 ALA N N 15 122.664 0.020 . 1 . . . . . 42 ALA N . 52513 1
191 . 1 . 1 43 43 ALA H H 1 8.324 0.003 . 1 . . . . . 43 ALA H . 52513 1
192 . 1 . 1 43 43 ALA C C 13 180.341 0.005 . 1 . . . . . 43 ALA C . 52513 1
193 . 1 . 1 43 43 ALA CA C 13 55.209 0.118 . 1 . . . . . 43 ALA CA . 52513 1
194 . 1 . 1 43 43 ALA CB C 13 17.765 0.027 . 1 . . . . . 43 ALA CB . 52513 1
195 . 1 . 1 43 43 ALA N N 15 121.022 0.028 . 1 . . . . . 43 ALA N . 52513 1
196 . 1 . 1 44 44 LEU H H 1 7.971 0.004 . 1 . . . . . 44 LEU H . 52513 1
197 . 1 . 1 44 44 LEU C C 13 179.877 0.001 . 1 . . . . . 44 LEU C . 52513 1
198 . 1 . 1 44 44 LEU CA C 13 57.798 0.006 . 1 . . . . . 44 LEU CA . 52513 1
199 . 1 . 1 44 44 LEU CB C 13 41.761 0.003 . 1 . . . . . 44 LEU CB . 52513 1
200 . 1 . 1 44 44 LEU N N 15 119.303 0.031 . 1 . . . . . 44 LEU N . 52513 1
201 . 1 . 1 45 45 TYR H H 1 8.396 0.012 . 1 . . . . . 45 TYR H . 52513 1
202 . 1 . 1 45 45 TYR HA H 1 4.262 0.000 . 1 . . . . . 45 TYR HA . 52513 1
203 . 1 . 1 45 45 TYR C C 13 178.080 0.011 . 1 . . . . . 45 TYR C . 52513 1
204 . 1 . 1 45 45 TYR CA C 13 61.260 0.033 . 1 . . . . . 45 TYR CA . 52513 1
205 . 1 . 1 45 45 TYR CB C 13 38.037 0.005 . 1 . . . . . 45 TYR CB . 52513 1
206 . 1 . 1 45 45 TYR N N 15 121.653 0.034 . 1 . . . . . 45 TYR N . 52513 1
207 . 1 . 1 46 46 GLN H H 1 8.336 0.003 . 1 . . . . . 46 GLN H . 52513 1
208 . 1 . 1 46 46 GLN C C 13 177.839 0.000 . 1 . . . . . 46 GLN C . 52513 1
209 . 1 . 1 46 46 GLN CA C 13 59.080 0.042 . 1 . . . . . 46 GLN CA . 52513 1
210 . 1 . 1 46 46 GLN CB C 13 28.623 0.025 . 1 . . . . . 46 GLN CB . 52513 1
211 . 1 . 1 46 46 GLN N N 15 118.936 0.018 . 1 . . . . . 46 GLN N . 52513 1
212 . 1 . 1 47 47 ARG H H 1 8.026 0.004 . 1 . . . . . 47 ARG H . 52513 1
213 . 1 . 1 47 47 ARG C C 13 178.010 0.004 . 1 . . . . . 47 ARG C . 52513 1
214 . 1 . 1 47 47 ARG CA C 13 58.508 0.019 . 1 . . . . . 47 ARG CA . 52513 1
215 . 1 . 1 47 47 ARG CB C 13 29.871 0.000 . 1 . . . . . 47 ARG CB . 52513 1
216 . 1 . 1 47 47 ARG N N 15 118.225 0.015 . 1 . . . . . 47 ARG N . 52513 1
217 . 1 . 1 48 48 SER H H 1 8.010 0.003 . 1 . . . . . 48 SER H . 52513 1
218 . 1 . 1 48 48 SER C C 13 175.189 0.000 . 1 . . . . . 48 SER C . 52513 1
219 . 1 . 1 48 48 SER CA C 13 61.228 0.026 . 1 . . . . . 48 SER CA . 52513 1
220 . 1 . 1 48 48 SER CB C 13 63.236 0.023 . 1 . . . . . 48 SER CB . 52513 1
221 . 1 . 1 48 48 SER N N 15 115.540 0.013 . 1 . . . . . 48 SER N . 52513 1
222 . 1 . 1 49 49 PHE H H 1 8.026 0.003 . 1 . . . . . 49 PHE H . 52513 1
223 . 1 . 1 49 49 PHE HA H 1 4.320 0.000 . 1 . . . . . 49 PHE HA . 52513 1
224 . 1 . 1 49 49 PHE HB2 H 1 3.002 0.000 . 1 . . . . . 49 PHE HB2 . 52513 1
225 . 1 . 1 49 49 PHE C C 13 177.293 0.004 . 1 . . . . . 49 PHE C . 52513 1
226 . 1 . 1 49 49 PHE CA C 13 60.386 0.033 . 1 . . . . . 49 PHE CA . 52513 1
227 . 1 . 1 49 49 PHE CB C 13 39.133 0.068 . 1 . . . . . 49 PHE CB . 52513 1
228 . 1 . 1 49 49 PHE N N 15 122.294 0.016 . 1 . . . . . 49 PHE N . 52513 1
229 . 1 . 1 50 50 PHE H H 1 8.006 0.003 . 1 . . . . . 50 PHE H . 52513 1
230 . 1 . 1 50 50 PHE HA H 1 4.338 0.003 . 1 . . . . . 50 PHE HA . 52513 1
231 . 1 . 1 50 50 PHE HB2 H 1 3.162 0.000 . 1 . . . . . 50 PHE HB2 . 52513 1
232 . 1 . 1 50 50 PHE C C 13 176.693 0.006 . 1 . . . . . 50 PHE C . 52513 1
233 . 1 . 1 50 50 PHE CA C 13 59.956 0.034 . 1 . . . . . 50 PHE CA . 52513 1
234 . 1 . 1 50 50 PHE CB C 13 38.850 0.027 . 1 . . . . . 50 PHE CB . 52513 1
235 . 1 . 1 50 50 PHE N N 15 119.940 0.028 . 1 . . . . . 50 PHE N . 52513 1
236 . 1 . 1 51 51 HIS H H 1 7.916 0.003 . 1 . . . . . 51 HIS H . 52513 1
237 . 1 . 1 51 51 HIS C C 13 176.109 0.007 . 1 . . . . . 51 HIS C . 52513 1
238 . 1 . 1 51 51 HIS CA C 13 58.412 0.023 . 1 . . . . . 51 HIS CA . 52513 1
239 . 1 . 1 51 51 HIS CB C 13 29.557 0.000 . 1 . . . . . 51 HIS CB . 52513 1
240 . 1 . 1 51 51 HIS N N 15 118.908 0.013 . 1 . . . . . 51 HIS N . 52513 1
241 . 1 . 1 52 52 TRP H H 1 7.963 0.004 . 1 . . . . . 52 TRP H . 52513 1
242 . 1 . 1 52 52 TRP HA H 1 4.514 0.003 . 1 . . . . . 52 TRP HA . 52513 1
243 . 1 . 1 52 52 TRP HB2 H 1 3.318 0.000 . 1 . . . . . 52 TRP HB2 . 52513 1
244 . 1 . 1 52 52 TRP C C 13 177.594 0.007 . 1 . . . . . 52 TRP C . 52513 1
245 . 1 . 1 52 52 TRP CA C 13 59.205 0.063 . 1 . . . . . 52 TRP CA . 52513 1
246 . 1 . 1 52 52 TRP CB C 13 29.204 0.050 . 1 . . . . . 52 TRP CB . 52513 1
247 . 1 . 1 52 52 TRP N N 15 120.601 0.017 . 1 . . . . . 52 TRP N . 52513 1
248 . 1 . 1 53 53 SER H H 1 7.933 0.004 . 1 . . . . . 53 SER H . 52513 1
249 . 1 . 1 53 53 SER C C 13 174.932 0.006 . 1 . . . . . 53 SER C . 52513 1
250 . 1 . 1 53 53 SER CA C 13 60.151 0.026 . 1 . . . . . 53 SER CA . 52513 1
251 . 1 . 1 53 53 SER CB C 13 63.394 0.000 . 1 . . . . . 53 SER CB . 52513 1
252 . 1 . 1 53 53 SER N N 15 115.611 0.017 . 1 . . . . . 53 SER N . 52513 1
253 . 1 . 1 54 54 PHE H H 1 7.772 0.003 . 1 . . . . . 54 PHE H . 52513 1
254 . 1 . 1 54 54 PHE HA H 1 4.422 0.003 . 1 . . . . . 54 PHE HA . 52513 1
255 . 1 . 1 54 54 PHE HB2 H 1 3.118 0.000 . 1 . . . . . 54 PHE HB2 . 52513 1
256 . 1 . 1 54 54 PHE C C 13 176.312 0.007 . 1 . . . . . 54 PHE C . 52513 1
257 . 1 . 1 54 54 PHE CA C 13 59.271 0.049 . 1 . . . . . 54 PHE CA . 52513 1
258 . 1 . 1 54 54 PHE CB C 13 39.239 0.031 . 1 . . . . . 54 PHE CB . 52513 1
259 . 1 . 1 54 54 PHE N N 15 121.796 0.030 . 1 . . . . . 54 PHE N . 52513 1
260 . 1 . 1 55 55 ASP H H 1 7.922 0.003 . 1 . . . . . 55 ASP H . 52513 1
261 . 1 . 1 55 55 ASP HA H 1 4.556 0.003 . 1 . . . . . 55 ASP HA . 52513 1
262 . 1 . 1 55 55 ASP HB2 H 1 2.614 0.000 . 1 . . . . . 55 ASP HB2 . 52513 1
263 . 1 . 1 55 55 ASP C C 13 176.112 0.002 . 1 . . . . . 55 ASP C . 52513 1
264 . 1 . 1 55 55 ASP CA C 13 54.844 0.100 . 1 . . . . . 55 ASP CA . 52513 1
265 . 1 . 1 55 55 ASP CB C 13 40.936 0.022 . 1 . . . . . 55 ASP CB . 52513 1
266 . 1 . 1 55 55 ASP N N 15 119.513 0.025 . 1 . . . . . 55 ASP N . 52513 1
267 . 1 . 1 56 56 HIS H H 1 7.730 0.005 . 1 . . . . . 56 HIS H . 52513 1
268 . 1 . 1 56 56 HIS HA H 1 4.592 0.004 . 1 . . . . . 56 HIS HA . 52513 1
269 . 1 . 1 56 56 HIS HB2 H 1 3.233 0.000 . 1 . . . . . 56 HIS HB2 . 52513 1
270 . 1 . 1 56 56 HIS C C 13 174.231 0.009 . 1 . . . . . 56 HIS C . 52513 1
271 . 1 . 1 56 56 HIS CA C 13 56.123 0.067 . 1 . . . . . 56 HIS CA . 52513 1
272 . 1 . 1 56 56 HIS CB C 13 28.905 0.026 . 1 . . . . . 56 HIS CB . 52513 1
273 . 1 . 1 56 56 HIS N N 15 117.781 0.018 . 1 . . . . . 56 HIS N . 52513 1
274 . 1 . 1 57 57 SER H H 1 7.867 0.003 . 1 . . . . . 57 SER H . 52513 1
275 . 1 . 1 57 57 SER HA H 1 4.477 0.000 . 1 . . . . . 57 SER HA . 52513 1
276 . 1 . 1 57 57 SER C C 13 173.352 0.014 . 1 . . . . . 57 SER C . 52513 1
277 . 1 . 1 57 57 SER CA C 13 58.706 0.076 . 1 . . . . . 57 SER CA . 52513 1
278 . 1 . 1 57 57 SER CB C 13 64.231 0.021 . 1 . . . . . 57 SER CB . 52513 1
279 . 1 . 1 57 57 SER N N 15 116.222 0.014 . 1 . . . . . 57 SER N . 52513 1
280 . 1 . 1 58 58 LEU H H 1 7.405 0.002 . 1 . . . . . 58 LEU H . 52513 1
281 . 1 . 1 58 58 LEU HA H 1 4.274 0.003 . 1 . . . . . 58 LEU HA . 52513 1
282 . 1 . 1 58 58 LEU HB2 H 1 1.632 0.000 . 1 . . . . . 58 LEU HB2 . 52513 1
283 . 1 . 1 58 58 LEU C C 13 182.330 0.000 . 1 . . . . . 58 LEU C . 52513 1
284 . 1 . 1 58 58 LEU CA C 13 56.971 0.048 . 1 . . . . . 58 LEU CA . 52513 1
285 . 1 . 1 58 58 LEU CB C 13 43.562 0.029 . 1 . . . . . 58 LEU CB . 52513 1
286 . 1 . 1 58 58 LEU N N 15 128.808 0.007 . 1 . . . . . 58 LEU N . 52513 1
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