Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 16257
_Assigned_chem_shift_list.ID 1
_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 $chemical_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
3 '3D HNCO' . . . 16257 1
4 '3D HCACO' . . . 16257 1
9 '3D HNCACB' . . . 16257 1
10 '3D HN(CO)CA' . . . 16257 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 $CCP-NMR . . 16257 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 12 12 GLY H H 1 8.521 0.000 . 1 . . . . 12 GLY H . 16257 1
2 . 1 1 12 12 GLY N N 15 110.191 0.018 . 1 . . . . 12 GLY N . 16257 1
3 . 1 1 13 13 MET H H 1 8.194 0.000 . 1 . . . . 13 MET H . 16257 1
4 . 1 1 16 16 TYR C C 13 175.295 0.000 . 1 . . . . 16 TYR C . 16257 1
5 . 1 1 16 16 TYR CA C 13 57.747 0.000 . 1 . . . . 16 TYR CA . 16257 1
6 . 1 1 17 17 LYS H H 1 8.378 0.004 . 1 . . . . 17 LYS H . 16257 1
7 . 1 1 17 17 LYS HA H 1 4.219 0.000 . 1 . . . . 17 LYS HA . 16257 1
8 . 1 1 17 17 LYS HB2 H 1 1.645 0.000 . 2 . . . . 17 LYS HB2 . 16257 1
9 . 1 1 17 17 LYS HB3 H 1 1.783 0.000 . 2 . . . . 17 LYS HB3 . 16257 1
10 . 1 1 17 17 LYS C C 13 176.329 0.000 . 1 . . . . 17 LYS C . 16257 1
11 . 1 1 17 17 LYS CA C 13 56.265 0.000 . 1 . . . . 17 LYS CA . 16257 1
12 . 1 1 17 17 LYS N N 15 125.120 0.023 . 1 . . . . 17 LYS N . 16257 1
13 . 1 1 18 18 GLY H H 1 7.861 0.003 . 1 . . . . 18 GLY H . 16257 1
14 . 1 1 18 18 GLY HA2 H 1 3.883 0.001 . 1 . . . . 18 GLY HA2 . 16257 1
15 . 1 1 18 18 GLY HA3 H 1 3.883 0.000 . 1 . . . . 18 GLY HA3 . 16257 1
16 . 1 1 18 18 GLY C C 13 173.562 0.000 . 1 . . . . 18 GLY C . 16257 1
17 . 1 1 18 18 GLY CA C 13 45.136 0.000 . 1 . . . . 18 GLY CA . 16257 1
18 . 1 1 18 18 GLY N N 15 109.203 0.050 . 1 . . . . 18 GLY N . 16257 1
19 . 1 1 19 19 VAL H H 1 8.037 0.003 . 1 . . . . 19 VAL H . 16257 1
20 . 1 1 19 19 VAL HA H 1 4.138 0.000 . 1 . . . . 19 VAL HA . 16257 1
21 . 1 1 19 19 VAL HB H 1 2.021 0.000 . 1 . . . . 19 VAL HB . 16257 1
22 . 1 1 19 19 VAL C C 13 176.201 0.000 . 1 . . . . 19 VAL C . 16257 1
23 . 1 1 19 19 VAL CA C 13 62.176 0.000 . 1 . . . . 19 VAL CA . 16257 1
24 . 1 1 19 19 VAL N N 15 119.888 0.058 . 1 . . . . 19 VAL N . 16257 1
25 . 1 1 20 20 ILE H H 1 8.373 0.005 . 1 . . . . 20 ILE H . 16257 1
26 . 1 1 20 20 ILE HA H 1 4.124 0.001 . 1 . . . . 20 ILE HA . 16257 1
27 . 1 1 20 20 ILE HB H 1 1.813 0.000 . 1 . . . . 20 ILE HB . 16257 1
28 . 1 1 20 20 ILE C C 13 176.119 0.000 . 1 . . . . 20 ILE C . 16257 1
29 . 1 1 20 20 ILE CA C 13 61.122 0.000 . 1 . . . . 20 ILE CA . 16257 1
30 . 1 1 20 20 ILE N N 15 125.994 0.132 . 1 . . . . 20 ILE N . 16257 1
31 . 1 1 21 21 GLN H H 1 8.533 0.010 . 1 . . . . 21 GLN H . 16257 1
32 . 1 1 21 21 GLN HA H 1 4.335 0.000 . 1 . . . . 21 GLN HA . 16257 1
33 . 1 1 21 21 GLN HB2 H 1 1.932 0.000 . 2 . . . . 21 GLN HB2 . 16257 1
34 . 1 1 21 21 GLN HB3 H 1 2.050 0.000 . 2 . . . . 21 GLN HB3 . 16257 1
35 . 1 1 21 21 GLN CA C 13 55.549 0.000 . 1 . . . . 21 GLN CA . 16257 1
36 . 1 1 21 21 GLN N N 15 125.889 0.174 . 1 . . . . 21 GLN N . 16257 1
37 . 1 1 22 22 ALA H H 1 8.404 0.006 . 1 . . . . 22 ALA H . 16257 1
38 . 1 1 22 22 ALA HA H 1 4.320 0.000 . 1 . . . . 22 ALA HA . 16257 1
39 . 1 1 22 22 ALA HB1 H 1 1.349 0.000 . 1 . . . . 22 ALA HB1 . 16257 1
40 . 1 1 22 22 ALA HB2 H 1 1.349 0.000 . 1 . . . . 22 ALA HB2 . 16257 1
41 . 1 1 22 22 ALA HB3 H 1 1.349 0.000 . 1 . . . . 22 ALA HB3 . 16257 1
42 . 1 1 22 22 ALA C C 13 177.617 0.000 . 1 . . . . 22 ALA C . 16257 1
43 . 1 1 22 22 ALA CA C 13 52.462 0.000 . 1 . . . . 22 ALA CA . 16257 1
44 . 1 1 22 22 ALA N N 15 126.374 0.093 . 1 . . . . 22 ALA N . 16257 1
45 . 1 1 23 23 ILE H H 1 8.186 0.002 . 1 . . . . 23 ILE H . 16257 1
46 . 1 1 23 23 ILE HA H 1 4.094 0.000 . 1 . . . . 23 ILE HA . 16257 1
47 . 1 1 23 23 ILE HB H 1 1.797 0.000 . 1 . . . . 23 ILE HB . 16257 1
48 . 1 1 23 23 ILE C C 13 176.283 0.000 . 1 . . . . 23 ILE C . 16257 1
49 . 1 1 23 23 ILE CA C 13 61.255 0.000 . 1 . . . . 23 ILE CA . 16257 1
50 . 1 1 23 23 ILE N N 15 120.880 0.015 . 1 . . . . 23 ILE N . 16257 1
51 . 1 1 24 24 GLN H H 1 8.496 0.007 . 1 . . . . 24 GLN H . 16257 1
52 . 1 1 24 24 GLN HA H 1 4.345 0.000 . 1 . . . . 24 GLN HA . 16257 1
53 . 1 1 24 24 GLN HB2 H 1 1.962 0.000 . 2 . . . . 24 GLN HB2 . 16257 1
54 . 1 1 24 24 GLN HB3 H 1 2.056 0.000 . 2 . . . . 24 GLN HB3 . 16257 1
55 . 1 1 24 24 GLN C C 13 175.856 0.000 . 1 . . . . 24 GLN C . 16257 1
56 . 1 1 24 24 GLN CA C 13 55.623 0.000 . 1 . . . . 24 GLN CA . 16257 1
57 . 1 1 24 24 GLN N N 15 125.302 0.192 . 1 . . . . 24 GLN N . 16257 1
58 . 1 1 25 25 LYS H H 1 8.474 0.002 . 1 . . . . 25 LYS H . 16257 1
59 . 1 1 25 25 LYS HA H 1 4.335 0.000 . 1 . . . . 25 LYS HA . 16257 1
60 . 1 1 25 25 LYS C C 13 176.716 0.000 . 1 . . . . 25 LYS C . 16257 1
61 . 1 1 25 25 LYS CA C 13 56.573 0.000 . 1 . . . . 25 LYS CA . 16257 1
62 . 1 1 25 25 LYS N N 15 123.700 0.008 . 1 . . . . 25 LYS N . 16257 1
63 . 1 1 26 26 SER H H 1 8.421 0.001 . 1 . . . . 26 SER H . 16257 1
64 . 1 1 26 26 SER HA H 1 4.430 0.000 . 1 . . . . 26 SER HA . 16257 1
65 . 1 1 26 26 SER HB2 H 1 3.853 0.000 . 1 . . . . 26 SER HB2 . 16257 1
66 . 1 1 26 26 SER HB3 H 1 3.853 0.000 . 1 . . . . 26 SER HB3 . 16257 1
67 . 1 1 26 26 SER C C 13 174.331 0.000 . 1 . . . . 26 SER C . 16257 1
68 . 1 1 26 26 SER CA C 13 58.447 0.000 . 1 . . . . 26 SER CA . 16257 1
69 . 1 1 26 26 SER N N 15 117.137 0.054 . 1 . . . . 26 SER N . 16257 1
70 . 1 1 27 27 ASP H H 1 8.452 0.019 . 1 . . . . 27 ASP H . 16257 1
71 . 1 1 27 27 ASP HA H 1 4.671 0.018 . 1 . . . . 27 ASP HA . 16257 1
72 . 1 1 27 27 ASP HB2 H 1 2.793 0.000 . 2 . . . . 27 ASP HB2 . 16257 1
73 . 1 1 27 27 ASP HB3 H 1 2.887 0.000 . 2 . . . . 27 ASP HB3 . 16257 1
74 . 1 1 27 27 ASP C C 13 175.871 0.000 . 1 . . . . 27 ASP C . 16257 1
75 . 1 1 27 27 ASP CA C 13 53.638 0.000 . 1 . . . . 27 ASP CA . 16257 1
76 . 1 1 27 27 ASP N N 15 122.003 0.077 . 1 . . . . 27 ASP N . 16257 1
77 . 1 1 28 28 GLU H H 1 8.312 0.001 . 1 . . . . 28 GLU H . 16257 1
78 . 1 1 28 28 GLU HA H 1 4.261 0.000 . 1 . . . . 28 GLU HA . 16257 1
79 . 1 1 28 28 GLU HB2 H 1 1.963 0.000 . 1 . . . . 28 GLU HB2 . 16257 1
80 . 1 1 28 28 GLU HB3 H 1 1.963 0.000 . 1 . . . . 28 GLU HB3 . 16257 1
81 . 1 1 28 28 GLU C C 13 176.619 0.000 . 1 . . . . 28 GLU C . 16257 1
82 . 1 1 28 28 GLU CA C 13 56.465 0.000 . 1 . . . . 28 GLU CA . 16257 1
83 . 1 1 28 28 GLU N N 15 120.857 0.013 . 1 . . . . 28 GLU N . 16257 1
84 . 1 1 29 29 GLY H H 1 8.419 0.003 . 1 . . . . 29 GLY H . 16257 1
85 . 1 1 29 29 GLY HA2 H 1 3.853 0.000 . 1 . . . . 29 GLY HA2 . 16257 1
86 . 1 1 29 29 GLY HA3 H 1 3.853 0.000 . 1 . . . . 29 GLY HA3 . 16257 1
87 . 1 1 29 29 GLY C C 13 173.591 0.000 . 1 . . . . 29 GLY C . 16257 1
88 . 1 1 29 29 GLY CA C 13 45.187 0.000 . 1 . . . . 29 GLY CA . 16257 1
89 . 1 1 29 29 GLY N N 15 109.063 0.014 . 1 . . . . 29 GLY N . 16257 1
90 . 1 1 30 30 HIS H H 1 8.214 0.001 . 1 . . . . 30 HIS H . 16257 1
91 . 1 1 30 30 HIS HA H 1 4.957 0.000 . 1 . . . . 30 HIS HA . 16257 1
92 . 1 1 30 30 HIS HB2 H 1 3.089 0.000 . 1 . . . . 30 HIS HB2 . 16257 1
93 . 1 1 30 30 HIS N N 15 118.022 0.119 . 1 . . . . 30 HIS N . 16257 1
94 . 1 1 31 31 PRO C C 13 176.694 0.000 . 1 . . . . 31 PRO C . 16257 1
95 . 1 1 31 31 PRO CA C 13 63.341 0.000 . 1 . . . . 31 PRO CA . 16257 1
96 . 1 1 32 32 PHE H H 1 8.480 0.005 . 1 . . . . 32 PHE H . 16257 1
97 . 1 1 32 32 PHE HA H 1 4.565 0.000 . 1 . . . . 32 PHE HA . 16257 1
98 . 1 1 32 32 PHE HB2 H 1 3.094 0.000 . 1 . . . . 32 PHE HB2 . 16257 1
99 . 1 1 32 32 PHE HB3 H 1 3.094 0.000 . 1 . . . . 32 PHE HB3 . 16257 1
100 . 1 1 32 32 PHE CA C 13 58.188 0.000 . 1 . . . . 32 PHE CA . 16257 1
101 . 1 1 32 32 PHE N N 15 121.376 0.010 . 1 . . . . 32 PHE N . 16257 1
102 . 1 1 33 33 ARG H H 1 8.086 0.003 . 1 . . . . 33 ARG H . 16257 1
103 . 1 1 33 33 ARG HA H 1 4.193 0.000 . 1 . . . . 33 ARG HA . 16257 1
104 . 1 1 33 33 ARG HB2 H 1 1.483 0.000 . 2 . . . . 33 ARG HB2 . 16257 1
105 . 1 1 33 33 ARG HB3 H 1 1.628 0.003 . 2 . . . . 33 ARG HB3 . 16257 1
106 . 1 1 33 33 ARG CA C 13 55.828 0.000 . 1 . . . . 33 ARG CA . 16257 1
107 . 1 1 33 33 ARG N N 15 123.970 0.062 . 1 . . . . 33 ARG N . 16257 1
108 . 1 1 34 34 ALA H H 1 8.170 0.002 . 1 . . . . 34 ALA H . 16257 1
109 . 1 1 34 34 ALA HA H 1 4.175 0.012 . 1 . . . . 34 ALA HA . 16257 1
110 . 1 1 34 34 ALA HB1 H 1 1.314 0.000 . 1 . . . . 34 ALA HB1 . 16257 1
111 . 1 1 34 34 ALA HB2 H 1 1.314 0.000 . 1 . . . . 34 ALA HB2 . 16257 1
112 . 1 1 34 34 ALA HB3 H 1 1.314 0.000 . 1 . . . . 34 ALA HB3 . 16257 1
113 . 1 1 34 34 ALA CA C 13 52.692 0.000 . 1 . . . . 34 ALA CA . 16257 1
114 . 1 1 34 34 ALA N N 15 125.249 0.059 . 1 . . . . 34 ALA N . 16257 1
115 . 1 1 35 35 TYR H H 1 8.063 0.003 . 1 . . . . 35 TYR H . 16257 1
116 . 1 1 35 35 TYR HA H 1 4.502 0.000 . 1 . . . . 35 TYR HA . 16257 1
117 . 1 1 35 35 TYR HB2 H 1 2.980 0.002 . 1 . . . . 35 TYR HB2 . 16257 1
118 . 1 1 35 35 TYR HB3 H 1 2.980 0.002 . 1 . . . . 35 TYR HB3 . 16257 1
119 . 1 1 35 35 TYR CA C 13 58.061 0.000 . 1 . . . . 35 TYR CA . 16257 1
120 . 1 1 35 35 TYR N N 15 119.408 0.028 . 1 . . . . 35 TYR N . 16257 1
121 . 1 1 36 36 LEU H H 1 8.044 0.002 . 1 . . . . 36 LEU H . 16257 1
122 . 1 1 36 36 LEU HA H 1 4.255 0.000 . 1 . . . . 36 LEU HA . 16257 1
123 . 1 1 36 36 LEU CA C 13 55.270 0.000 . 1 . . . . 36 LEU CA . 16257 1
124 . 1 1 36 36 LEU N N 15 123.745 0.072 . 1 . . . . 36 LEU N . 16257 1
125 . 1 1 37 37 GLU H H 1 8.260 0.005 . 1 . . . . 37 GLU H . 16257 1
126 . 1 1 37 37 GLU HA H 1 4.255 0.000 . 1 . . . . 37 GLU HA . 16257 1
127 . 1 1 37 37 GLU CA C 13 56.567 0.000 . 1 . . . . 37 GLU CA . 16257 1
128 . 1 1 37 37 GLU N N 15 120.867 0.000 . 1 . . . . 37 GLU N . 16257 1
129 . 1 1 38 38 SER H H 1 8.226 0.009 . 1 . . . . 38 SER H . 16257 1
130 . 1 1 38 38 SER HA H 1 4.386 0.000 . 1 . . . . 38 SER HA . 16257 1
131 . 1 1 38 38 SER HB2 H 1 3.865 0.000 . 1 . . . . 38 SER HB2 . 16257 1
132 . 1 1 38 38 SER HB3 H 1 3.865 0.000 . 1 . . . . 38 SER HB3 . 16257 1
133 . 1 1 38 38 SER CA C 13 58.765 0.000 . 1 . . . . 38 SER CA . 16257 1
134 . 1 1 38 38 SER N N 15 116.233 0.019 . 1 . . . . 38 SER N . 16257 1
135 . 1 1 39 39 GLU H H 1 8.327 0.013 . 1 . . . . 39 GLU H . 16257 1
136 . 1 1 39 39 GLU HA H 1 4.312 0.000 . 1 . . . . 39 GLU HA . 16257 1
137 . 1 1 39 39 GLU CA C 13 56.645 0.000 . 1 . . . . 39 GLU CA . 16257 1
138 . 1 1 39 39 GLU N N 15 122.296 0.059 . 1 . . . . 39 GLU N . 16257 1
139 . 1 1 40 40 VAL H H 1 8.030 0.004 . 1 . . . . 40 VAL H . 16257 1
140 . 1 1 40 40 VAL HA H 1 3.985 0.001 . 1 . . . . 40 VAL HA . 16257 1
141 . 1 1 40 40 VAL HB H 1 2.035 0.003 . 1 . . . . 40 VAL HB . 16257 1
142 . 1 1 40 40 VAL C C 13 176.209 0.000 . 1 . . . . 40 VAL C . 16257 1
143 . 1 1 40 40 VAL CA C 13 63.230 0.000 . 1 . . . . 40 VAL CA . 16257 1
144 . 1 1 40 40 VAL N N 15 120.867 0.007 . 1 . . . . 40 VAL N . 16257 1
145 . 1 1 41 41 ALA H H 1 8.202 0.003 . 1 . . . . 41 ALA H . 16257 1
146 . 1 1 41 41 ALA HA H 1 4.291 0.001 . 1 . . . . 41 ALA HA . 16257 1
147 . 1 1 41 41 ALA HB1 H 1 1.380 0.000 . 1 . . . . 41 ALA HB1 . 16257 1
148 . 1 1 41 41 ALA HB2 H 1 1.380 0.000 . 1 . . . . 41 ALA HB2 . 16257 1
149 . 1 1 41 41 ALA HB3 H 1 1.380 0.000 . 1 . . . . 41 ALA HB3 . 16257 1
150 . 1 1 41 41 ALA C C 13 178.416 0.000 . 1 . . . . 41 ALA C . 16257 1
151 . 1 1 41 41 ALA CA C 13 53.098 0.000 . 1 . . . . 41 ALA CA . 16257 1
152 . 1 1 41 41 ALA N N 15 126.827 0.024 . 1 . . . . 41 ALA N . 16257 1
153 . 1 1 42 42 ILE H H 1 8.079 0.002 . 1 . . . . 42 ILE H . 16257 1
154 . 1 1 42 42 ILE HA H 1 4.062 0.000 . 1 . . . . 42 ILE HA . 16257 1
155 . 1 1 42 42 ILE C C 13 176.928 0.000 . 1 . . . . 42 ILE C . 16257 1
156 . 1 1 42 42 ILE CA C 13 62.085 0.000 . 1 . . . . 42 ILE CA . 16257 1
157 . 1 1 42 42 ILE N N 15 119.901 0.037 . 1 . . . . 42 ILE N . 16257 1
158 . 1 1 43 43 SER H H 1 8.233 0.004 . 1 . . . . 43 SER H . 16257 1
159 . 1 1 43 43 SER HA H 1 4.359 0.000 . 1 . . . . 43 SER HA . 16257 1
160 . 1 1 43 43 SER HB2 H 1 3.923 0.000 . 1 . . . . 43 SER HB2 . 16257 1
161 . 1 1 43 43 SER HB3 H 1 3.923 0.000 . 1 . . . . 43 SER HB3 . 16257 1
162 . 1 1 43 43 SER N N 15 118.361 0.000 . 1 . . . . 43 SER N . 16257 1
163 . 1 1 45 45 GLU H H 1 8.200 0.005 . 1 . . . . 45 GLU H . 16257 1
164 . 1 1 45 45 GLU CA C 13 56.977 0.000 . 1 . . . . 45 GLU CA . 16257 1
165 . 1 1 45 45 GLU N N 15 120.032 0.000 . 1 . . . . 45 GLU N . 16257 1
166 . 1 1 46 46 LEU H H 1 8.076 0.003 . 1 . . . . 46 LEU H . 16257 1
167 . 1 1 46 46 LEU HA H 1 4.270 0.000 . 1 . . . . 46 LEU HA . 16257 1
168 . 1 1 46 46 LEU CA C 13 56.021 0.000 . 1 . . . . 46 LEU CA . 16257 1
169 . 1 1 46 46 LEU N N 15 122.101 0.191 . 1 . . . . 46 LEU N . 16257 1
170 . 1 1 47 47 VAL H H 1 7.938 0.002 . 1 . . . . 47 VAL H . 16257 1
171 . 1 1 47 47 VAL HA H 1 3.957 0.003 . 1 . . . . 47 VAL HA . 16257 1
172 . 1 1 47 47 VAL HB H 1 2.076 0.000 . 1 . . . . 47 VAL HB . 16257 1
173 . 1 1 47 47 VAL CA C 13 63.411 0.000 . 1 . . . . 47 VAL CA . 16257 1
174 . 1 1 47 47 VAL N N 15 120.265 0.135 . 1 . . . . 47 VAL N . 16257 1
175 . 1 1 48 48 GLN H H 1 8.287 0.003 . 1 . . . . 48 GLN H . 16257 1
176 . 1 1 48 48 GLN HA H 1 4.234 0.000 . 1 . . . . 48 GLN HA . 16257 1
177 . 1 1 48 48 GLN CA C 13 56.497 0.000 . 1 . . . . 48 GLN CA . 16257 1
178 . 1 1 48 48 GLN N N 15 123.266 0.084 . 1 . . . . 48 GLN N . 16257 1
179 . 1 1 49 49 LYS H H 1 8.181 0.002 . 1 . . . . 49 LYS H . 16257 1
180 . 1 1 49 49 LYS HA H 1 4.214 0.000 . 1 . . . . 49 LYS HA . 16257 1
181 . 1 1 49 49 LYS CA C 13 57.036 0.000 . 1 . . . . 49 LYS CA . 16257 1
182 . 1 1 49 49 LYS N N 15 121.760 0.109 . 1 . . . . 49 LYS N . 16257 1
183 . 1 1 50 50 TYR H H 1 8.156 0.003 . 1 . . . . 50 TYR H . 16257 1
184 . 1 1 50 50 TYR HA H 1 4.623 0.003 . 1 . . . . 50 TYR HA . 16257 1
185 . 1 1 50 50 TYR HB2 H 1 2.915 0.000 . 2 . . . . 50 TYR HB2 . 16257 1
186 . 1 1 50 50 TYR HB3 H 1 3.119 0.000 . 2 . . . . 50 TYR HB3 . 16257 1
187 . 1 1 50 50 TYR CA C 13 57.918 0.000 . 1 . . . . 50 TYR CA . 16257 1
188 . 1 1 50 50 TYR N N 15 120.309 0.000 . 1 . . . . 50 TYR N . 16257 1
189 . 1 1 51 51 SER H H 1 8.192 0.002 . 1 . . . . 51 SER H . 16257 1
190 . 1 1 51 51 SER HA H 1 4.396 0.000 . 1 . . . . 51 SER HA . 16257 1
191 . 1 1 51 51 SER HB2 H 1 3.851 0.000 . 1 . . . . 51 SER HB2 . 16257 1
192 . 1 1 51 51 SER HB3 H 1 3.851 0.000 . 1 . . . . 51 SER HB3 . 16257 1
193 . 1 1 51 51 SER CA C 13 58.561 0.000 . 1 . . . . 51 SER CA . 16257 1
194 . 1 1 51 51 SER N N 15 117.100 0.059 . 1 . . . . 51 SER N . 16257 1
195 . 1 1 52 52 ASN H H 1 8.429 0.004 . 1 . . . . 52 ASN H . 16257 1
196 . 1 1 52 52 ASN HA H 1 4.706 0.000 . 1 . . . . 52 ASN HA . 16257 1
197 . 1 1 52 52 ASN HB2 H 1 2.832 0.000 . 1 . . . . 52 ASN HB2 . 16257 1
198 . 1 1 52 52 ASN HB3 H 1 2.832 0.000 . 1 . . . . 52 ASN HB3 . 16257 1
199 . 1 1 52 52 ASN CA C 13 53.543 0.000 . 1 . . . . 52 ASN CA . 16257 1
200 . 1 1 52 52 ASN N N 15 121.051 0.145 . 1 . . . . 52 ASN N . 16257 1
201 . 1 1 53 53 SER H H 1 8.287 0.003 . 1 . . . . 53 SER H . 16257 1
202 . 1 1 53 53 SER HA H 1 4.385 0.002 . 1 . . . . 53 SER HA . 16257 1
203 . 1 1 53 53 SER HB2 H 1 3.885 0.006 . 1 . . . . 53 SER HB2 . 16257 1
204 . 1 1 53 53 SER HB3 H 1 3.885 0.006 . 1 . . . . 53 SER HB3 . 16257 1
205 . 1 1 53 53 SER CA C 13 58.897 0.000 . 1 . . . . 53 SER CA . 16257 1
206 . 1 1 53 53 SER N N 15 116.616 0.039 . 1 . . . . 53 SER N . 16257 1
207 . 1 1 54 54 ALA H H 1 8.300 0.003 . 1 . . . . 54 ALA H . 16257 1
208 . 1 1 54 54 ALA HA H 1 4.381 0.000 . 1 . . . . 54 ALA HA . 16257 1
209 . 1 1 54 54 ALA CA C 13 52.976 0.000 . 1 . . . . 54 ALA CA . 16257 1
210 . 1 1 54 54 ALA N N 15 125.756 0.038 . 1 . . . . 54 ALA N . 16257 1
211 . 1 1 55 55 LEU H H 1 8.031 0.015 . 1 . . . . 55 LEU H . 16257 1
212 . 1 1 55 55 LEU HA H 1 4.289 0.005 . 1 . . . . 55 LEU HA . 16257 1
213 . 1 1 55 55 LEU HB2 H 1 1.621 0.000 . 1 . . . . 55 LEU HB2 . 16257 1
214 . 1 1 55 55 LEU HB3 H 1 1.621 0.000 . 1 . . . . 55 LEU HB3 . 16257 1
215 . 1 1 55 55 LEU CA C 13 55.522 0.000 . 1 . . . . 55 LEU CA . 16257 1
216 . 1 1 55 55 LEU N N 15 119.954 0.090 . 1 . . . . 55 LEU N . 16257 1
217 . 1 1 56 56 GLY H H 1 8.251 0.002 . 1 . . . . 56 GLY H . 16257 1
218 . 1 1 56 56 GLY HA2 H 1 3.878 0.000 . 1 . . . . 56 GLY HA2 . 16257 1
219 . 1 1 56 56 GLY HA3 H 1 3.878 0.000 . 1 . . . . 56 GLY HA3 . 16257 1
220 . 1 1 56 56 GLY CA C 13 45.337 0.000 . 1 . . . . 56 GLY CA . 16257 1
221 . 1 1 56 56 GLY N N 15 108.661 0.029 . 1 . . . . 56 GLY N . 16257 1
222 . 1 1 57 57 HIS H H 1 8.284 0.003 . 1 . . . . 57 HIS H . 16257 1
223 . 1 1 57 57 HIS HA H 1 4.730 0.002 . 1 . . . . 57 HIS HA . 16257 1
224 . 1 1 57 57 HIS HB2 H 1 3.154 0.000 . 2 . . . . 57 HIS HB2 . 16257 1
225 . 1 1 57 57 HIS HB3 H 1 3.241 0.000 . 2 . . . . 57 HIS HB3 . 16257 1
226 . 1 1 57 57 HIS CA C 13 55.295 0.000 . 1 . . . . 57 HIS CA . 16257 1
227 . 1 1 57 57 HIS N N 15 118.103 0.070 . 1 . . . . 57 HIS N . 16257 1
228 . 1 1 58 58 VAL H H 1 8.220 0.006 . 1 . . . . 58 VAL H . 16257 1
229 . 1 1 58 58 VAL HA H 1 4.082 0.004 . 1 . . . . 58 VAL HA . 16257 1
230 . 1 1 58 58 VAL HB H 1 2.027 0.000 . 1 . . . . 58 VAL HB . 16257 1
231 . 1 1 58 58 VAL HG11 H 1 0.894 0.000 . 1 . . . . 58 VAL HG11 . 16257 1
232 . 1 1 58 58 VAL HG12 H 1 0.894 0.000 . 1 . . . . 58 VAL HG12 . 16257 1
233 . 1 1 58 58 VAL HG13 H 1 0.894 0.000 . 1 . . . . 58 VAL HG13 . 16257 1
234 . 1 1 58 58 VAL HG21 H 1 0.894 0.000 . 1 . . . . 58 VAL HG21 . 16257 1
235 . 1 1 58 58 VAL HG22 H 1 0.894 0.000 . 1 . . . . 58 VAL HG22 . 16257 1
236 . 1 1 58 58 VAL HG23 H 1 0.894 0.000 . 1 . . . . 58 VAL HG23 . 16257 1
237 . 1 1 58 58 VAL CA C 13 62.488 0.000 . 1 . . . . 58 VAL CA . 16257 1
238 . 1 1 58 58 VAL N N 15 121.758 0.112 . 1 . . . . 58 VAL N . 16257 1
239 . 1 1 59 59 ASN H H 1 8.623 0.004 . 1 . . . . 59 ASN H . 16257 1
240 . 1 1 59 59 ASN HA H 1 4.744 0.002 . 1 . . . . 59 ASN HA . 16257 1
241 . 1 1 59 59 ASN HB2 H 1 2.809 0.000 . 1 . . . . 59 ASN HB2 . 16257 1
242 . 1 1 59 59 ASN HB3 H 1 2.809 0.000 . 1 . . . . 59 ASN HB3 . 16257 1
243 . 1 1 59 59 ASN CA C 13 53.370 0.000 . 1 . . . . 59 ASN CA . 16257 1
244 . 1 1 59 59 ASN N N 15 122.997 0.050 . 1 . . . . 59 ASN N . 16257 1
245 . 1 1 60 60 SER H H 1 8.382 0.006 . 1 . . . . 60 SER H . 16257 1
246 . 1 1 60 60 SER HA H 1 4.475 0.000 . 1 . . . . 60 SER HA . 16257 1
247 . 1 1 60 60 SER HB2 H 1 3.857 0.000 . 1 . . . . 60 SER HB2 . 16257 1
248 . 1 1 60 60 SER HB3 H 1 3.857 0.000 . 1 . . . . 60 SER HB3 . 16257 1
249 . 1 1 60 60 SER CA C 13 58.788 0.000 . 1 . . . . 60 SER CA . 16257 1
250 . 1 1 60 60 SER N N 15 116.979 0.139 . 1 . . . . 60 SER N . 16257 1
251 . 1 1 61 61 THR H H 1 8.255 0.006 . 1 . . . . 61 THR H . 16257 1
252 . 1 1 61 61 THR HA H 1 4.472 0.000 . 1 . . . . 61 THR HA . 16257 1
253 . 1 1 61 61 THR CA C 13 62.564 0.000 . 1 . . . . 61 THR CA . 16257 1
254 . 1 1 61 61 THR N N 15 116.220 0.024 . 1 . . . . 61 THR N . 16257 1
255 . 1 1 62 62 ILE H H 1 8.095 0.001 . 1 . . . . 62 ILE H . 16257 1
256 . 1 1 62 62 ILE HA H 1 4.064 0.000 . 1 . . . . 62 ILE HA . 16257 1
257 . 1 1 62 62 ILE CA C 13 61.958 0.000 . 1 . . . . 62 ILE CA . 16257 1
258 . 1 1 62 62 ILE N N 15 123.278 0.077 . 1 . . . . 62 ILE N . 16257 1
259 . 1 1 63 63 LYS H H 1 8.297 0.002 . 1 . . . . 63 LYS H . 16257 1
260 . 1 1 63 63 LYS HA H 1 4.219 0.000 . 1 . . . . 63 LYS HA . 16257 1
261 . 1 1 63 63 LYS CA C 13 57.252 0.000 . 1 . . . . 63 LYS CA . 16257 1
262 . 1 1 63 63 LYS N N 15 124.744 0.097 . 1 . . . . 63 LYS N . 16257 1
263 . 1 1 64 64 GLU H H 1 8.198 0.005 . 1 . . . . 64 GLU H . 16257 1
264 . 1 1 64 64 GLU HA H 1 4.206 0.000 . 1 . . . . 64 GLU HA . 16257 1
265 . 1 1 64 64 GLU CA C 13 56.416 0.000 . 1 . . . . 64 GLU CA . 16257 1
266 . 1 1 64 64 GLU N N 15 121.142 0.000 . 1 . . . . 64 GLU N . 16257 1
267 . 1 1 65 65 LEU H H 1 8.265 0.003 . 1 . . . . 65 LEU H . 16257 1
268 . 1 1 65 65 LEU N N 15 123.316 0.146 . 1 . . . . 65 LEU N . 16257 1
269 . 1 1 73 73 ASP C C 13 175.340 0.000 . 1 . . . . 73 ASP C . 16257 1
270 . 1 1 73 73 ASP CA C 13 53.498 0.000 . 1 . . . . 73 ASP CA . 16257 1
271 . 1 1 74 74 LEU H H 1 8.126 0.003 . 1 . . . . 74 LEU H . 16257 1
272 . 1 1 74 74 LEU HA H 1 4.332 0.001 . 1 . . . . 74 LEU HA . 16257 1
273 . 1 1 74 74 LEU C C 13 177.664 0.000 . 1 . . . . 74 LEU C . 16257 1
274 . 1 1 74 74 LEU CA C 13 55.653 0.000 . 1 . . . . 74 LEU CA . 16257 1
275 . 1 1 74 74 LEU N N 15 122.305 0.043 . 1 . . . . 74 LEU N . 16257 1
276 . 1 1 75 75 VAL H H 1 7.987 0.001 . 1 . . . . 75 VAL H . 16257 1
277 . 1 1 75 75 VAL HA H 1 4.035 0.000 . 1 . . . . 75 VAL HA . 16257 1
278 . 1 1 75 75 VAL HB H 1 2.069 0.000 . 1 . . . . 75 VAL HB . 16257 1
279 . 1 1 75 75 VAL HG11 H 1 0.915 0.000 . 1 . . . . 75 VAL HG11 . 16257 1
280 . 1 1 75 75 VAL HG12 H 1 0.915 0.000 . 1 . . . . 75 VAL HG12 . 16257 1
281 . 1 1 75 75 VAL HG13 H 1 0.915 0.000 . 1 . . . . 75 VAL HG13 . 16257 1
282 . 1 1 75 75 VAL HG21 H 1 0.915 0.000 . 1 . . . . 75 VAL HG21 . 16257 1
283 . 1 1 75 75 VAL HG22 H 1 0.915 0.000 . 1 . . . . 75 VAL HG22 . 16257 1
284 . 1 1 75 75 VAL HG23 H 1 0.915 0.000 . 1 . . . . 75 VAL HG23 . 16257 1
285 . 1 1 75 75 VAL C C 13 176.189 0.000 . 1 . . . . 75 VAL C . 16257 1
286 . 1 1 75 75 VAL CA C 13 62.871 0.000 . 1 . . . . 75 VAL CA . 16257 1
287 . 1 1 75 75 VAL N N 15 119.891 0.023 . 1 . . . . 75 VAL N . 16257 1
288 . 1 1 76 76 ASP H H 1 8.410 0.006 . 1 . . . . 76 ASP H . 16257 1
289 . 1 1 76 76 ASP HA H 1 4.699 0.003 . 1 . . . . 76 ASP HA . 16257 1
290 . 1 1 76 76 ASP HB2 H 1 2.783 0.000 . 2 . . . . 76 ASP HB2 . 16257 1
291 . 1 1 76 76 ASP HB3 H 1 2.886 0.000 . 2 . . . . 76 ASP HB3 . 16257 1
292 . 1 1 76 76 ASP CA C 13 53.663 0.000 . 1 . . . . 76 ASP CA . 16257 1
293 . 1 1 76 76 ASP N N 15 122.317 0.177 . 1 . . . . 76 ASP N . 16257 1
294 . 1 1 77 77 SER H H 1 8.188 0.006 . 1 . . . . 77 SER H . 16257 1
295 . 1 1 77 77 SER HA H 1 3.863 0.004 . 1 . . . . 77 SER HA . 16257 1
296 . 1 1 77 77 SER C C 13 174.328 0.000 . 1 . . . . 77 SER C . 16257 1
297 . 1 1 77 77 SER CA C 13 58.652 0.000 . 1 . . . . 77 SER CA . 16257 1
298 . 1 1 77 77 SER N N 15 116.367 0.236 . 1 . . . . 77 SER N . 16257 1
299 . 1 1 78 78 LEU H H 1 8.141 0.002 . 1 . . . . 78 LEU H . 16257 1
300 . 1 1 78 78 LEU HA H 1 4.391 0.000 . 1 . . . . 78 LEU HA . 16257 1
301 . 1 1 78 78 LEU CA C 13 55.312 0.000 . 1 . . . . 78 LEU CA . 16257 1
302 . 1 1 78 78 LEU N N 15 123.752 0.058 . 1 . . . . 78 LEU N . 16257 1
303 . 1 1 79 79 LYS H H 1 8.053 0.000 . 1 . . . . 79 LYS H . 16257 1
304 . 1 1 79 79 LYS HA H 1 4.269 0.000 . 1 . . . . 79 LYS HA . 16257 1
305 . 1 1 79 79 LYS N N 15 124.585 0.251 . 1 . . . . 79 LYS N . 16257 1
stop_
save_