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 51717
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name Esrrb_aa1-102_C12A-C72A-C91A
_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 0.01
_Assigned_chem_shift_list.Chem_shift_13C_err 0.2
_Assigned_chem_shift_list.Chem_shift_15N_err 0.2
_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 'Spectral resolution'
_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' . . . 51717 1
2 '3D HNCO' . . . 51717 1
4 '3D HNCACB' . . . 51717 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 . . 51717 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 SER H H 1 8.532736949 . . 1 . . . . . 2 SER H . 51717 1
2 . 1 . 1 3 3 SER N N 15 118.0100623 . . 1 . . . . . 2 SER N . 51717 1
3 . 1 . 1 4 4 SER H H 1 8.352350084 . . 1 . . . . . 3 SER H . 51717 1
4 . 1 . 1 4 4 SER C C 13 174.7166577 . . 1 . . . . . 3 SER C . 51717 1
5 . 1 . 1 4 4 SER CA C 13 58.89008672 . . 1 . . . . . 3 SER CA . 51717 1
6 . 1 . 1 4 4 SER CB C 13 63.30240908 . . 1 . . . . . 3 SER CB . 51717 1
7 . 1 . 1 4 4 SER N N 15 117.8485971 . . 1 . . . . . 3 SER N . 51717 1
8 . 1 . 1 5 5 GLU H H 1 8.246599935 0.001744544549 . 1 . . . . . 4 GLU H . 51717 1
9 . 1 . 1 5 5 GLU C C 13 176.1562019 . . 1 . . . . . 4 GLU C . 51717 1
10 . 1 . 1 5 5 GLU CA C 13 56.7460401 . . 1 . . . . . 4 GLU CA . 51717 1
11 . 1 . 1 5 5 GLU CB C 13 29.77735296 . . 1 . . . . . 4 GLU CB . 51717 1
12 . 1 . 1 5 5 GLU N N 15 122.0530252 0.0000013487 . 1 . . . . . 4 GLU N . 51717 1
13 . 1 . 1 6 6 ASP H H 1 8.029190372 0.002293514083 . 1 . . . . . 5 ASP H . 51717 1
14 . 1 . 1 6 6 ASP C C 13 176.4058771 . . 1 . . . . . 5 ASP C . 51717 1
15 . 1 . 1 6 6 ASP CA C 13 54.42045192 . . 1 . . . . . 5 ASP CA . 51717 1
16 . 1 . 1 6 6 ASP CB C 13 40.73172715 . . 1 . . . . . 5 ASP CB . 51717 1
17 . 1 . 1 6 6 ASP N N 15 121.1965489 0.001307437055 . 1 . . . . . 5 ASP N . 51717 1
18 . 1 . 1 7 7 ARG H H 1 8.061350968 0.001360711938 . 1 . . . . . 6 ARG H . 51717 1
19 . 1 . 1 7 7 ARG C C 13 176.1463763 . . 1 . . . . . 6 ARG C . 51717 1
20 . 1 . 1 7 7 ARG CA C 13 56.22425786 . . 1 . . . . . 6 ARG CA . 51717 1
21 . 1 . 1 7 7 ARG CB C 13 30.08461777 . . 1 . . . . . 6 ARG CB . 51717 1
22 . 1 . 1 7 7 ARG N N 15 121.4275034 0.003400705264 . 1 . . . . . 6 ARG N . 51717 1
23 . 1 . 1 8 8 HIS H H 1 8.250806966 0.001380570518 . 1 . . . . . 7 HIS H . 51717 1
24 . 1 . 1 8 8 HIS C C 13 175.1162854 . . 1 . . . . . 7 HIS C . 51717 1
25 . 1 . 1 8 8 HIS CA C 13 56.01762302 . . 1 . . . . . 7 HIS CA . 51717 1
26 . 1 . 1 8 8 HIS CB C 13 29.20007944 . . 1 . . . . . 7 HIS CB . 51717 1
27 . 1 . 1 8 8 HIS N N 15 119.2275292 0 . 1 . . . . . 7 HIS N . 51717 1
28 . 1 . 1 9 9 LEU H H 1 8.028005056 0.002089458298 . 1 . . . . . 8 LEU H . 51717 1
29 . 1 . 1 9 9 LEU C C 13 177.845378 . . 1 . . . . . 8 LEU C . 51717 1
30 . 1 . 1 9 9 LEU CA C 13 55.24821339 . . 1 . . . . . 8 LEU CA . 51717 1
31 . 1 . 1 9 9 LEU CB C 13 41.93068766 . . 1 . . . . . 8 LEU CB . 51717 1
32 . 1 . 1 9 9 LEU N N 15 122.6205291 0.002125439466 . 1 . . . . . 8 LEU N . 51717 1
33 . 1 . 1 10 10 GLY H H 1 8.243143832 0.001542893207 . 1 . . . . . 9 GLY H . 51717 1
34 . 1 . 1 10 10 GLY C C 13 174.1616684 . . 1 . . . . . 9 GLY C . 51717 1
35 . 1 . 1 10 10 GLY CA C 13 45.10804283 . . 1 . . . . . 9 GLY CA . 51717 1
36 . 1 . 1 10 10 GLY N N 15 109.4338303 0 . 1 . . . . . 9 GLY N . 51717 1
37 . 1 . 1 11 11 SER H H 1 8.068565538 0.002658487192 . 1 . . . . . 10 SER H . 51717 1
38 . 1 . 1 11 11 SER C C 13 174.742971 . . 1 . . . . . 10 SER C . 51717 1
39 . 1 . 1 11 11 SER CA C 13 58.21700839 . . 1 . . . . . 10 SER CA . 51717 1
40 . 1 . 1 11 11 SER CB C 13 63.61159461 . . 1 . . . . . 10 SER CB . 51717 1
41 . 1 . 1 11 11 SER N N 15 115.4554458 0.006859829408 . 1 . . . . . 10 SER N . 51717 1
42 . 1 . 1 12 12 SER H H 1 8.28143953 0.0007648199253 . 1 . . . . . 11 SER H . 51717 1
43 . 1 . 1 12 12 SER C C 13 174.3184242 . . 1 . . . . . 11 SER C . 51717 1
44 . 1 . 1 12 12 SER CA C 13 58.27723164 . . 1 . . . . . 11 SER CA . 51717 1
45 . 1 . 1 12 12 SER CB C 13 63.50951894 . . 1 . . . . . 11 SER CB . 51717 1
46 . 1 . 1 12 12 SER N N 15 117.886475 0.005074421549 . 1 . . . . . 11 SER N . 51717 1
47 . 1 . 1 13 13 ALA H H 1 8.172037021 0.0009371362069 . 1 . . . . . 12 ALA H . 51717 1
48 . 1 . 1 13 13 ALA C C 13 178.1209556 . . 1 . . . . . 12 ALA C . 51717 1
49 . 1 . 1 13 13 ALA CA C 13 52.78664511 . . 1 . . . . . 12 ALA CA . 51717 1
50 . 1 . 1 13 13 ALA CB C 13 18.82981072 . . 1 . . . . . 12 ALA CB . 51717 1
51 . 1 . 1 13 13 ALA N N 15 125.7242999 0.003915088961 . 1 . . . . . 12 ALA N . 51717 1
52 . 1 . 1 14 14 GLY H H 1 8.163682234 0.001111649144 . 1 . . . . . 13 GLY H . 51717 1
53 . 1 . 1 14 14 GLY C C 13 173.9254908 . . 1 . . . . . 13 GLY C . 51717 1
54 . 1 . 1 14 14 GLY CA C 13 45.06164959 . . 1 . . . . . 13 GLY CA . 51717 1
55 . 1 . 1 14 14 GLY N N 15 107.7585963 0.0000013487 . 1 . . . . . 13 GLY N . 51717 1
56 . 1 . 1 15 15 SER H H 1 7.875620086 0.001136765056 . 1 . . . . . 14 SER H . 51717 1
57 . 1 . 1 15 15 SER C C 13 173.7853082 . . 1 . . . . . 14 SER C . 51717 1
58 . 1 . 1 15 15 SER CA C 13 58.13528105 . . 1 . . . . . 14 SER CA . 51717 1
59 . 1 . 1 15 15 SER CB C 13 63.54197792 . . 1 . . . . . 14 SER CB . 51717 1
60 . 1 . 1 15 15 SER N N 15 115.1952925 0 . 1 . . . . . 14 SER N . 51717 1
61 . 1 . 1 16 16 PHE H H 1 8.044603694 0 . 1 . . . . . 15 PHE H . 51717 1
62 . 1 . 1 16 16 PHE C C 13 175.0769907 . . 1 . . . . . 15 PHE C . 51717 1
63 . 1 . 1 16 16 PHE CA C 13 57.56739115 . . 1 . . . . . 15 PHE CA . 51717 1
64 . 1 . 1 16 16 PHE CB C 13 39.19899215 . . 1 . . . . . 15 PHE CB . 51717 1
65 . 1 . 1 16 16 PHE N N 15 122.009703 0.007162406625 . 1 . . . . . 15 PHE N . 51717 1
66 . 1 . 1 17 17 ILE H H 1 7.854756588 0.001460769512 . 1 . . . . . 16 ILE H . 51717 1
67 . 1 . 1 17 17 ILE C C 13 175.3473428 . . 1 . . . . . 16 ILE C . 51717 1
68 . 1 . 1 17 17 ILE CA C 13 60.47558789 . . 1 . . . . . 16 ILE CA . 51717 1
69 . 1 . 1 17 17 ILE CB C 13 38.3678314 . . 1 . . . . . 16 ILE CB . 51717 1
70 . 1 . 1 17 17 ILE N N 15 123.5185785 0.02441065243 . 1 . . . . . 16 ILE N . 51717 1
71 . 1 . 1 18 18 LYS H H 1 8.254590215 0.0000767269 . 1 . . . . . 17 LYS H . 51717 1
72 . 1 . 1 18 18 LYS C C 13 176.1684123 . . 1 . . . . . 17 LYS C . 51717 1
73 . 1 . 1 18 18 LYS CA C 13 56.00198738 . . 1 . . . . . 17 LYS CA . 51717 1
74 . 1 . 1 18 18 LYS CB C 13 32.8675029 . . 1 . . . . . 17 LYS CB . 51717 1
75 . 1 . 1 18 18 LYS N N 15 126.7234028 0.006751970383 . 1 . . . . . 17 LYS N . 51717 1
76 . 1 . 1 19 19 THR H H 1 8.102764545 0.001633445893 . 1 . . . . . 18 THR H . 51717 1
77 . 1 . 1 19 19 THR C C 13 174.0165833 . . 1 . . . . . 18 THR C . 51717 1
78 . 1 . 1 19 19 THR CA C 13 61.49377295 . . 1 . . . . . 18 THR CA . 51717 1
79 . 1 . 1 19 19 THR CB C 13 69.72389411 . . 1 . . . . . 18 THR CB . 51717 1
80 . 1 . 1 19 19 THR N N 15 117.2053377 0.004036291321 . 1 . . . . . 18 THR N . 51717 1
81 . 1 . 1 20 20 GLU H H 1 8.319249706 0.002473680397 . 1 . . . . . 19 GLU H . 51717 1
82 . 1 . 1 20 20 GLU C C 13 174.300041 . . 1 . . . . . 19 GLU C . 51717 1
83 . 1 . 1 20 20 GLU CA C 13 54.2376315 . . 1 . . . . . 19 GLU CA . 51717 1
84 . 1 . 1 20 20 GLU CB C 13 29.56429477 . . 1 . . . . . 19 GLU CB . 51717 1
85 . 1 . 1 20 20 GLU N N 15 124.9730518 0.001743823673 . 1 . . . . . 19 GLU N . 51717 1
86 . 1 . 1 21 21 PRO C C 13 176.705887 . . 1 . . . . . 20 PRO C . 51717 1
87 . 1 . 1 21 21 PRO CA C 13 63.05045535 . . 1 . . . . . 20 PRO CA . 51717 1
88 . 1 . 1 21 21 PRO CB C 13 31.8334506 . . 1 . . . . . 20 PRO CB . 51717 1
89 . 1 . 1 22 22 SER H H 1 8.298098576 0.001349148726 . 1 . . . . . 21 SER H . 51717 1
90 . 1 . 1 22 22 SER C C 13 174.0597027 . . 1 . . . . . 21 SER C . 51717 1
91 . 1 . 1 22 22 SER CA C 13 58.17887603 . . 1 . . . . . 21 SER CA . 51717 1
92 . 1 . 1 22 22 SER CB C 13 63.54949519 . . 1 . . . . . 21 SER CB . 51717 1
93 . 1 . 1 22 22 SER N N 15 116.1422791 0.003436861764 . 1 . . . . . 21 SER N . 51717 1
94 . 1 . 1 23 23 SER H H 1 8.209467377 0.001248412067 . 1 . . . . . 22 SER H . 51717 1
95 . 1 . 1 23 23 SER C C 13 172.6338139 . . 1 . . . . . 22 SER C . 51717 1
96 . 1 . 1 23 23 SER CA C 13 56.2540081 . . 1 . . . . . 22 SER CA . 51717 1
97 . 1 . 1 23 23 SER CB C 13 63.09798296 . . 1 . . . . . 22 SER CB . 51717 1
98 . 1 . 1 23 23 SER N N 15 118.636753 0.006102784381 . 1 . . . . . 22 SER N . 51717 1
99 . 1 . 1 24 24 PRO C C 13 176.9974709 . . 1 . . . . . 23 PRO C . 51717 1
100 . 1 . 1 24 24 PRO CB C 13 31.8096868 . . 1 . . . . . 23 PRO CB . 51717 1
101 . 1 . 1 25 25 SER H H 1 8.286148823 0.001889526279 . 1 . . . . . 24 SER H . 51717 1
102 . 1 . 1 25 25 SER C C 13 174.5574141 . . 1 . . . . . 24 SER C . 51717 1
103 . 1 . 1 25 25 SER CA C 13 58.29614157 . . 1 . . . . . 24 SER CA . 51717 1
104 . 1 . 1 25 25 SER CB C 13 63.6018068 . . 1 . . . . . 24 SER CB . 51717 1
105 . 1 . 1 25 25 SER N N 15 115.8446665 0.004381341935 . 1 . . . . . 24 SER N . 51717 1
106 . 1 . 1 26 26 SER H H 1 8.176042098 0.001637758064 . 1 . . . . . 25 SER H . 51717 1
107 . 1 . 1 26 26 SER C C 13 174.7821561 . . 1 . . . . . 25 SER C . 51717 1
108 . 1 . 1 26 26 SER CA C 13 58.44270691 . . 1 . . . . . 25 SER CA . 51717 1
109 . 1 . 1 26 26 SER CB C 13 63.71905907 . . 1 . . . . . 25 SER CB . 51717 1
110 . 1 . 1 26 26 SER N N 15 117.6866693 0.00000190735 . 1 . . . . . 25 SER N . 51717 1
111 . 1 . 1 27 27 GLY H H 1 8.238128486 0.000292480083 . 1 . . . . . 26 GLY H . 51717 1
112 . 1 . 1 27 27 GLY C C 13 174.1211591 . . 1 . . . . . 26 GLY C . 51717 1
113 . 1 . 1 27 27 GLY CA C 13 45.18059379 . . 1 . . . . . 26 GLY CA . 51717 1
114 . 1 . 1 27 27 GLY N N 15 110.544474 0.006891497801 . 1 . . . . . 26 GLY N . 51717 1
115 . 1 . 1 28 28 ILE H H 1 7.832730233 0.001367830606 . 1 . . . . . 27 ILE H . 51717 1
116 . 1 . 1 28 28 ILE C C 13 176.1626103 . . 1 . . . . . 27 ILE C . 51717 1
117 . 1 . 1 28 28 ILE CA C 13 61.42717784 . . 1 . . . . . 27 ILE CA . 51717 1
118 . 1 . 1 28 28 ILE CB C 13 38.39845527 . . 1 . . . . . 27 ILE CB . 51717 1
119 . 1 . 1 28 28 ILE N N 15 119.7021504 0 . 1 . . . . . 27 ILE N . 51717 1
120 . 1 . 1 29 29 ASP H H 1 8.258767875 0.001566065154 . 1 . . . . . 28 ASP H . 51717 1
121 . 1 . 1 29 29 ASP C C 13 176.1871052 . . 1 . . . . . 28 ASP C . 51717 1
122 . 1 . 1 29 29 ASP CA C 13 54.28146881 . . 1 . . . . . 28 ASP CA . 51717 1
123 . 1 . 1 29 29 ASP CB C 13 40.77538733 . . 1 . . . . . 28 ASP CB . 51717 1
124 . 1 . 1 29 29 ASP N N 15 123.8993418 0.0005206467871 . 1 . . . . . 28 ASP N . 51717 1
125 . 1 . 1 30 30 ALA H H 1 8.038624737 0.001435448779 . 1 . . . . . 29 ALA H . 51717 1
126 . 1 . 1 30 30 ALA C C 13 177.9786533 . . 1 . . . . . 29 ALA C . 51717 1
127 . 1 . 1 30 30 ALA CA C 13 52.9006067 . . 1 . . . . . 29 ALA CA . 51717 1
128 . 1 . 1 30 30 ALA CB C 13 18.8410555 . . 1 . . . . . 29 ALA CB . 51717 1
129 . 1 . 1 30 30 ALA N N 15 124.2269823 0.0006501611266 . 1 . . . . . 29 ALA N . 51717 1
130 . 1 . 1 31 31 LEU H H 1 7.937359054 0.00104018154 . 1 . . . . . 30 LEU H . 51717 1
131 . 1 . 1 31 31 LEU C C 13 177.5772682 . . 1 . . . . . 30 LEU C . 51717 1
132 . 1 . 1 31 31 LEU CA C 13 55.20108516 . . 1 . . . . . 30 LEU CA . 51717 1
133 . 1 . 1 31 31 LEU CB C 13 41.71809547 . . 1 . . . . . 30 LEU CB . 51717 1
134 . 1 . 1 31 31 LEU N N 15 119.3277849 0.001797006872 . 1 . . . . . 30 LEU N . 51717 1
135 . 1 . 1 32 32 SER H H 1 7.832857942 0.001928350248 . 1 . . . . . 31 SER H . 51717 1
136 . 1 . 1 32 32 SER C C 13 174.0911464 . . 1 . . . . . 31 SER C . 51717 1
137 . 1 . 1 32 32 SER CA C 13 58.38457455 . . 1 . . . . . 31 SER CA . 51717 1
138 . 1 . 1 32 32 SER CB C 13 63.48499202 . . 1 . . . . . 31 SER CB . 51717 1
139 . 1 . 1 32 32 SER N N 15 115.1357552 0.01087975385 . 1 . . . . . 31 SER N . 51717 1
140 . 1 . 1 33 33 HIS H H 1 8.054817721 0.001333661171 . 1 . . . . . 32 HIS H . 51717 1
141 . 1 . 1 33 33 HIS CA C 13 55.76722513 . . 1 . . . . . 32 HIS CA . 51717 1
142 . 1 . 1 33 33 HIS CB C 13 29.68969632 . . 1 . . . . . 32 HIS CB . 51717 1
143 . 1 . 1 33 33 HIS N N 15 120.4779672 0 . 1 . . . . . 32 HIS N . 51717 1
144 . 1 . 1 34 34 HIS C C 13 174.4226246 . . 1 . . . . . 33 HIS C . 51717 1
145 . 1 . 1 34 34 HIS CA C 13 55.48012367 . . 1 . . . . . 33 HIS CA . 51717 1
146 . 1 . 1 34 34 HIS CB C 13 30.06779886 . . 1 . . . . . 33 HIS CB . 51717 1
147 . 1 . 1 35 35 SER H H 1 8.268926298 0.004066593849 . 1 . . . . . 34 SER H . 51717 1
148 . 1 . 1 35 35 SER C C 13 172.4993473 . . 1 . . . . . 34 SER C . 51717 1
149 . 1 . 1 35 35 SER CA C 13 56.16257575 . . 1 . . . . . 34 SER CA . 51717 1
150 . 1 . 1 35 35 SER CB C 13 62.98709654 . . 1 . . . . . 34 SER CB . 51717 1
151 . 1 . 1 35 35 SER N N 15 119.1741554 0.005284961222 . 1 . . . . . 34 SER N . 51717 1
152 . 1 . 1 36 36 PRO C C 13 176.9284266 . . 1 . . . . . 35 PRO C . 51717 1
153 . 1 . 1 37 37 SER H H 1 8.295613431 0.0005150898217 . 1 . . . . . 36 SER H . 51717 1
154 . 1 . 1 37 37 SER C C 13 174.9621773 . . 1 . . . . . 36 SER C . 51717 1
155 . 1 . 1 37 37 SER CA C 13 58.38290349 . . 1 . . . . . 36 SER CA . 51717 1
156 . 1 . 1 37 37 SER CB C 13 63.5706277 . . 1 . . . . . 36 SER CB . 51717 1
157 . 1 . 1 37 37 SER N N 15 115.9102371 0.00464903308 . 1 . . . . . 36 SER N . 51717 1
158 . 1 . 1 38 38 GLY H H 1 8.249468062 0.00168005349 . 1 . . . . . 37 GLY H . 51717 1
159 . 1 . 1 38 38 GLY C C 13 173.9939534 . . 1 . . . . . 37 GLY C . 51717 1
160 . 1 . 1 38 38 GLY CA C 13 45.13213806 . . 1 . . . . . 37 GLY CA . 51717 1
161 . 1 . 1 38 38 GLY N N 15 111.0081382 0.004575110374 . 1 . . . . . 37 GLY N . 51717 1
162 . 1 . 1 39 39 SER H H 1 8.060275058 0.001644192461 . 1 . . . . . 38 SER H . 51717 1
163 . 1 . 1 39 39 SER C C 13 174.589906 . . 1 . . . . . 38 SER C . 51717 1
164 . 1 . 1 39 39 SER CA C 13 58.09575326 . . 1 . . . . . 38 SER CA . 51717 1
165 . 1 . 1 39 39 SER CB C 13 63.76583742 . . 1 . . . . . 38 SER CB . 51717 1
166 . 1 . 1 39 39 SER N N 15 115.4180624 0.0006221948407 . 1 . . . . . 38 SER N . 51717 1
167 . 1 . 1 40 40 SER H H 1 8.311437692 0.0003962233276 . 1 . . . . . 39 SER H . 51717 1
168 . 1 . 1 40 40 SER C C 13 174.0979454 . . 1 . . . . . 39 SER C . 51717 1
169 . 1 . 1 40 40 SER CA C 13 58.26303031 . . 1 . . . . . 39 SER CA . 51717 1
170 . 1 . 1 40 40 SER CB C 13 63.60287016 . . 1 . . . . . 39 SER CB . 51717 1
171 . 1 . 1 40 40 SER N N 15 117.8241984 0.003127102592 . 1 . . . . . 39 SER N . 51717 1
172 . 1 . 1 41 41 ASP H H 1 8.141572674 0.001451289813 . 1 . . . . . 40 ASP H . 51717 1
173 . 1 . 1 41 41 ASP C C 13 176.1423974 . . 1 . . . . . 40 ASP C . 51717 1
174 . 1 . 1 41 41 ASP CA C 13 54.11038593 . . 1 . . . . . 40 ASP CA . 51717 1
175 . 1 . 1 41 41 ASP CB C 13 40.87289315 . . 1 . . . . . 40 ASP CB . 51717 1
176 . 1 . 1 41 41 ASP N N 15 122.1288297 0.002040884428 . 1 . . . . . 40 ASP N . 51717 1
177 . 1 . 1 42 42 ALA H H 1 8.196531859 0.0007071301127 . 1 . . . . . 41 ALA H . 51717 1
178 . 1 . 1 42 42 ALA C C 13 178.0281456 . . 1 . . . . . 41 ALA C . 51717 1
179 . 1 . 1 42 42 ALA CA C 13 52.66710339 . . 1 . . . . . 41 ALA CA . 51717 1
180 . 1 . 1 42 42 ALA CB C 13 18.66414683 . . 1 . . . . . 41 ALA CB . 51717 1
181 . 1 . 1 42 42 ALA N N 15 124.8922143 0.00194819114 . 1 . . . . . 41 ALA N . 51717 1
182 . 1 . 1 43 43 SER H H 1 8.174311005 0.0006139599343 . 1 . . . . . 42 SER H . 51717 1
183 . 1 . 1 43 43 SER C C 13 175.2126391 . . 1 . . . . . 42 SER C . 51717 1
184 . 1 . 1 43 43 SER CA C 13 58.86361263 . . 1 . . . . . 42 SER CA . 51717 1
185 . 1 . 1 43 43 SER CB C 13 63.60923286 . . 1 . . . . . 42 SER CB . 51717 1
186 . 1 . 1 43 43 SER N N 15 114.7768732 0.006289899073 . 1 . . . . . 42 SER N . 51717 1
187 . 1 . 1 44 44 GLY H H 1 8.119486739 0.001337935683 . 1 . . . . . 43 GLY H . 51717 1
188 . 1 . 1 44 44 GLY C C 13 174.3759556 . . 1 . . . . . 43 GLY C . 51717 1
189 . 1 . 1 44 44 GLY CA C 13 45.26313683 . . 1 . . . . . 43 GLY CA . 51717 1
190 . 1 . 1 44 44 GLY N N 15 110.3910815 0.000166786705 . 1 . . . . . 43 GLY N . 51717 1
191 . 1 . 1 45 45 GLY H H 1 7.975753565 0.0001794830756 . 1 . . . . . 44 GLY H . 51717 1
192 . 1 . 1 45 45 GLY C C 13 173.7998134 . . 1 . . . . . 44 GLY C . 51717 1
193 . 1 . 1 45 45 GLY CA C 13 44.8851709 . . 1 . . . . . 44 GLY CA . 51717 1
194 . 1 . 1 45 45 GLY N N 15 108.1154209 0.002951361162 . 1 . . . . . 44 GLY N . 51717 1
195 . 1 . 1 46 46 PHE H H 1 7.980443052 0.0003654105321 . 1 . . . . . 45 PHE H . 51717 1
196 . 1 . 1 46 46 PHE C C 13 176.2112778 . . 1 . . . . . 45 PHE C . 51717 1
197 . 1 . 1 46 46 PHE CA C 13 57.78874618 . . 1 . . . . . 45 PHE CA . 51717 1
198 . 1 . 1 46 46 PHE CB C 13 39.25916173 . . 1 . . . . . 45 PHE CB . 51717 1
199 . 1 . 1 46 46 PHE N N 15 119.489609 0.003725935865 . 1 . . . . . 45 PHE N . 51717 1
200 . 1 . 1 47 47 GLY H H 1 8.22505683 0.0009472355295 . 1 . . . . . 46 GLY H . 51717 1
201 . 1 . 1 47 47 GLY C C 13 173.7503259 . . 1 . . . . . 46 GLY C . 51717 1
202 . 1 . 1 47 47 GLY CA C 13 45.09491839 . . 1 . . . . . 46 GLY CA . 51717 1
203 . 1 . 1 47 47 GLY N N 15 110.4158063 0.0009180491208 . 1 . . . . . 46 GLY N . 51717 1
204 . 1 . 1 48 48 ILE H H 1 7.751338758 0.001174666421 . 1 . . . . . 47 ILE H . 51717 1
205 . 1 . 1 48 48 ILE C C 13 175.8558082 . . 1 . . . . . 47 ILE C . 51717 1
206 . 1 . 1 48 48 ILE CA C 13 60.79391291 . . 1 . . . . . 47 ILE CA . 51717 1
207 . 1 . 1 48 48 ILE CB C 13 38.43440858 . . 1 . . . . . 47 ILE CB . 51717 1
208 . 1 . 1 48 48 ILE N N 15 120.082966 0.0007485778447 . 1 . . . . . 47 ILE N . 51717 1
209 . 1 . 1 49 49 ALA H H 1 8.238449954 0.001068345745 . 1 . . . . . 48 ALA H . 51717 1
210 . 1 . 1 49 49 ALA C C 13 177.4176307 . . 1 . . . . . 48 ALA C . 51717 1
211 . 1 . 1 49 49 ALA CA C 13 52.16124372 . . 1 . . . . . 48 ALA CA . 51717 1
212 . 1 . 1 49 49 ALA CB C 13 18.8497143 . . 1 . . . . . 48 ALA CB . 51717 1
213 . 1 . 1 49 49 ALA N N 15 128.1416068 0.004938444597 . 1 . . . . . 48 ALA N . 51717 1
214 . 1 . 1 50 50 LEU H H 1 8.094603643 0.001018561422 . 1 . . . . . 49 LEU H . 51717 1
215 . 1 . 1 50 50 LEU C C 13 177.4616006 . . 1 . . . . . 49 LEU C . 51717 1
216 . 1 . 1 50 50 LEU CA C 13 54.89942523 . . 1 . . . . . 49 LEU CA . 51717 1
217 . 1 . 1 50 50 LEU CB C 13 42.1728872 . . 1 . . . . . 49 LEU CB . 51717 1
218 . 1 . 1 50 50 LEU N N 15 121.7626967 0.0007064480495 . 1 . . . . . 49 LEU N . 51717 1
219 . 1 . 1 51 51 SER H H 1 8.169046425 0.0002206421615 . 1 . . . . . 50 SER H . 51717 1
220 . 1 . 1 51 51 SER C C 13 174.6808401 . . 1 . . . . . 50 SER C . 51717 1
221 . 1 . 1 51 51 SER CA C 13 58.17235299 . . 1 . . . . . 50 SER CA . 51717 1
222 . 1 . 1 51 51 SER CB C 13 63.45356689 . . 1 . . . . . 50 SER CB . 51717 1
223 . 1 . 1 51 51 SER N N 15 116.3579057 0.004654769939 . 1 . . . . . 50 SER N . 51717 1
224 . 1 . 1 52 52 THR H H 1 7.968503451 0.002175643926 . 1 . . . . . 51 THR H . 51717 1
225 . 1 . 1 52 52 THR C C 13 174.2049218 . . 1 . . . . . 51 THR C . 51717 1
226 . 1 . 1 52 52 THR CA C 13 61.74586898 . . 1 . . . . . 51 THR CA . 51717 1
227 . 1 . 1 52 52 THR CB C 13 69.43050956 . . 1 . . . . . 51 THR CB . 51717 1
228 . 1 . 1 52 52 THR N N 15 115.2600879 0.0003733266493 . 1 . . . . . 51 THR N . 51717 1
229 . 1 . 1 53 53 HIS H H 1 8.124678296 0.001946549329 . 1 . . . . . 52 HIS H . 51717 1
230 . 1 . 1 53 53 HIS C C 13 174.6501497 . . 1 . . . . . 52 HIS C . 51717 1
231 . 1 . 1 53 53 HIS CA C 13 55.71075464 . . 1 . . . . . 52 HIS CA . 51717 1
232 . 1 . 1 53 53 HIS CB C 13 29.91761556 . . 1 . . . . . 52 HIS CB . 51717 1
233 . 1 . 1 53 53 HIS N N 15 120.9207161 0.02467334952 . 1 . . . . . 52 HIS N . 51717 1
234 . 1 . 1 54 54 ALA H H 1 8.169031609 0.001157122591 . 1 . . . . . 53 ALA H . 51717 1
235 . 1 . 1 54 54 ALA C C 13 177.3120714 . . 1 . . . . . 53 ALA C . 51717 1
236 . 1 . 1 54 54 ALA CA C 13 52.49038851 . . 1 . . . . . 53 ALA CA . 51717 1
237 . 1 . 1 54 54 ALA CB C 13 18.91721264 . . 1 . . . . . 53 ALA CB . 51717 1
238 . 1 . 1 54 54 ALA N N 15 125.303056 0.006853223874 . 1 . . . . . 53 ALA N . 51717 1
239 . 1 . 1 55 55 ASN H H 1 8.383735267 0.001602738193 . 1 . . . . . 54 ASN H . 51717 1
240 . 1 . 1 55 55 ASN C C 13 175.608197 . . 1 . . . . . 54 ASN C . 51717 1
241 . 1 . 1 55 55 ASN CA C 13 53.15256123 . . 1 . . . . . 54 ASN CA . 51717 1
242 . 1 . 1 55 55 ASN CB C 13 38.51548651 . . 1 . . . . . 54 ASN CB . 51717 1
243 . 1 . 1 55 55 ASN N N 15 117.8056818 0.003812044175 . 1 . . . . . 54 ASN N . 51717 1
244 . 1 . 1 56 56 GLY H H 1 8.189676547 0.0004836738841 . 1 . . . . . 55 GLY H . 51717 1
245 . 1 . 1 56 56 GLY C C 13 174.0761891 . . 1 . . . . . 55 GLY C . 51717 1
246 . 1 . 1 56 56 GLY CA C 13 45.31175393 . . 1 . . . . . 55 GLY CA . 51717 1
247 . 1 . 1 56 56 GLY N N 15 108.8976 0 . 1 . . . . . 55 GLY N . 51717 1
248 . 1 . 1 57 57 LEU H H 1 7.94484439 0.0005204469589 . 1 . . . . . 56 LEU H . 51717 1
249 . 1 . 1 57 57 LEU C C 13 177.0123349 . . 1 . . . . . 56 LEU C . 51717 1
250 . 1 . 1 57 57 LEU CA C 13 54.95823084 . . 1 . . . . . 56 LEU CA . 51717 1
251 . 1 . 1 57 57 LEU CB C 13 42.08069175 . . 1 . . . . . 56 LEU CB . 51717 1
252 . 1 . 1 57 57 LEU N N 15 121.1393129 0 . 1 . . . . . 56 LEU N . 51717 1
253 . 1 . 1 58 58 ASP H H 1 8.192501975 0.001114455445 . 1 . . . . . 57 ASP H . 51717 1
254 . 1 . 1 58 58 ASP C C 13 175.6408457 . . 1 . . . . . 57 ASP C . 51717 1
255 . 1 . 1 58 58 ASP CA C 13 54.05583717 . . 1 . . . . . 57 ASP CA . 51717 1
256 . 1 . 1 58 58 ASP CB C 13 40.81732904 . . 1 . . . . . 57 ASP CB . 51717 1
257 . 1 . 1 58 58 ASP N N 15 120.3135211 0.004689551852 . 1 . . . . . 57 ASP N . 51717 1
258 . 1 . 1 59 59 SER H H 1 7.923569196 0.001554758636 . 1 . . . . . 58 SER H . 51717 1
259 . 1 . 1 59 59 SER C C 13 171.6326205 . . 1 . . . . . 58 SER C . 51717 1
260 . 1 . 1 59 59 SER CA C 13 56.33386687 . . 1 . . . . . 58 SER CA . 51717 1
261 . 1 . 1 59 59 SER CB C 13 63.02098631 . . 1 . . . . . 58 SER CB . 51717 1
262 . 1 . 1 59 59 SER N N 15 116.823368 0.00219881025 . 1 . . . . . 58 SER N . 51717 1
263 . 1 . 1 61 61 PRO C C 13 176.5714771 . . 1 . . . . . 60 PRO C . 51717 1
264 . 1 . 1 61 61 PRO CA C 13 62.75086468 . . 1 . . . . . 60 PRO CA . 51717 1
265 . 1 . 1 61 61 PRO CB C 13 31.67943583 . . 1 . . . . . 60 PRO CB . 51717 1
266 . 1 . 1 62 62 MET H H 1 8.228769846 0.0007930765574 . 1 . . . . . 61 MET H . 51717 1
267 . 1 . 1 62 62 MET C C 13 175.7040156 . . 1 . . . . . 61 MET C . 51717 1
268 . 1 . 1 62 62 MET CA C 13 55.31143127 . . 1 . . . . . 61 MET CA . 51717 1
269 . 1 . 1 62 62 MET CB C 13 32.71532904 . . 1 . . . . . 61 MET CB . 51717 1
270 . 1 . 1 62 62 MET N N 15 120.2696708 0.005547366682 . 1 . . . . . 61 MET N . 51717 1
271 . 1 . 1 63 63 PHE H H 1 8.052891952 0.0009385266737 . 1 . . . . . 62 PHE H . 51717 1
272 . 1 . 1 63 63 PHE C C 13 175.1835386 . . 1 . . . . . 62 PHE C . 51717 1
273 . 1 . 1 63 63 PHE CA C 13 57.16128883 . . 1 . . . . . 62 PHE CA . 51717 1
274 . 1 . 1 63 63 PHE CB C 13 39.34906773 . . 1 . . . . . 62 PHE CB . 51717 1
275 . 1 . 1 63 63 PHE N N 15 120.940438 0.0008708388652 . 1 . . . . . 62 PHE N . 51717 1
276 . 1 . 1 64 64 ALA H H 1 8.190421219 0.001380033465 . 1 . . . . . 63 ALA H . 51717 1
277 . 1 . 1 64 64 ALA C C 13 177.6576899 . . 1 . . . . . 63 ALA C . 51717 1
278 . 1 . 1 64 64 ALA CA C 13 52.34030693 . . 1 . . . . . 63 ALA CA . 51717 1
279 . 1 . 1 64 64 ALA CB C 13 19.02120253 . . 1 . . . . . 63 ALA CB . 51717 1
280 . 1 . 1 64 64 ALA N N 15 126.2106237 0.002456934911 . 1 . . . . . 63 ALA N . 51717 1
281 . 1 . 1 65 65 GLY H H 1 7.685849114 0.002014019224 . 1 . . . . . 64 GLY H . 51717 1
282 . 1 . 1 65 65 GLY C C 13 173.6809646 . . 1 . . . . . 64 GLY C . 51717 1
283 . 1 . 1 65 65 GLY CA C 13 45.03417607 0.007475294141 . 1 . . . . . 64 GLY CA . 51717 1
284 . 1 . 1 65 65 GLY N N 15 107.6384827 0.001205667644 . 1 . . . . . 64 GLY N . 51717 1
285 . 1 . 1 66 66 ALA H H 1 8.019006984 0.001109586383 . 1 . . . . . 65 ALA H . 51717 1
286 . 1 . 1 66 66 ALA C C 13 178.1427373 . . 1 . . . . . 65 ALA C . 51717 1
287 . 1 . 1 66 66 ALA CA C 13 52.56709345 . . 1 . . . . . 65 ALA CA . 51717 1
288 . 1 . 1 66 66 ALA CB C 13 19.03106708 . . 1 . . . . . 65 ALA CB . 51717 1
289 . 1 . 1 66 66 ALA N N 15 123.4805802 0.0008118059841 . 1 . . . . . 65 ALA N . 51717 1
290 . 1 . 1 67 67 GLY H H 1 8.264085743 0.001816508846 . 1 . . . . . 66 GLY H . 51717 1
291 . 1 . 1 67 67 GLY C C 13 174.2134244 . . 1 . . . . . 66 GLY C . 51717 1
292 . 1 . 1 67 67 GLY CA C 13 45.06703944 . . 1 . . . . . 66 GLY CA . 51717 1
293 . 1 . 1 67 67 GLY N N 15 107.9320089 0.002492862707 . 1 . . . . . 66 GLY N . 51717 1
294 . 1 . 1 68 68 LEU H H 1 8.001255711 0.00116698036 . 1 . . . . . 67 LEU H . 51717 1
295 . 1 . 1 68 68 LEU C C 13 178.0775631 . . 1 . . . . . 67 LEU C . 51717 1
296 . 1 . 1 68 68 LEU CA C 13 55.11103561 . . 1 . . . . . 67 LEU CA . 51717 1
297 . 1 . 1 68 68 LEU CB C 13 41.98969476 . . 1 . . . . . 67 LEU CB . 51717 1
298 . 1 . 1 68 68 LEU N N 15 121.3233261 0.01742381319 . 1 . . . . . 67 LEU N . 51717 1
299 . 1 . 1 69 69 GLY H H 1 8.361571338 0.001325757246 . 1 . . . . . 68 GLY H . 51717 1
300 . 1 . 1 69 69 GLY C C 13 174.4434326 . . 1 . . . . . 68 GLY C . 51717 1
301 . 1 . 1 69 69 GLY CA C 13 45.16291306 . . 1 . . . . . 68 GLY CA . 51717 1
302 . 1 . 1 69 69 GLY N N 15 109.4773404 0.00530640004 . 1 . . . . . 68 GLY N . 51717 1
303 . 1 . 1 70 70 GLY H H 1 8.047013649 0 . 1 . . . . . 69 GLY H . 51717 1
304 . 1 . 1 70 70 GLY C C 13 173.3442498 . . 1 . . . . . 69 GLY C . 51717 1
305 . 1 . 1 70 70 GLY CA C 13 44.72175695 . . 1 . . . . . 69 GLY CA . 51717 1
306 . 1 . 1 70 70 GLY N N 15 108.0507237 0 . 1 . . . . . 69 GLY N . 51717 1
307 . 1 . 1 71 71 ASN H H 1 8.168443367 0.002696420998 . 1 . . . . . 70 ASN H . 51717 1
308 . 1 . 1 71 71 ASN C C 13 173.2641931 . . 1 . . . . . 70 ASN C . 51717 1
309 . 1 . 1 71 71 ASN CA C 13 51.31624028 . . 1 . . . . . 70 ASN CA . 51717 1
310 . 1 . 1 71 71 ASN CB C 13 38.459638 . . 1 . . . . . 70 ASN CB . 51717 1
311 . 1 . 1 71 71 ASN N N 15 119.2326436 0.02498615654 . 1 . . . . . 70 ASN N . 51717 1
312 . 1 . 1 72 72 PRO C C 13 176.4281712 . . 1 . . . . . 71 PRO C . 51717 1
313 . 1 . 1 72 72 PRO CA C 13 63.15545542 . . 1 . . . . . 71 PRO CA . 51717 1
314 . 1 . 1 72 72 PRO CB C 13 31.84167477 . . 1 . . . . . 71 PRO CB . 51717 1
315 . 1 . 1 73 73 ALA H H 1 8.113591196 0.001262497917 . 1 . . . . . 72 ALA H . 51717 1
316 . 1 . 1 73 73 ALA C C 13 177.5278774 . . 1 . . . . . 72 ALA C . 51717 1
317 . 1 . 1 73 73 ALA CA C 13 52.18888201 . . 1 . . . . . 72 ALA CA . 51717 1
318 . 1 . 1 73 73 ALA CB C 13 18.78085551 . . 1 . . . . . 72 ALA CB . 51717 1
319 . 1 . 1 73 73 ALA N N 15 123.1813247 0.004563267726 . 1 . . . . . 72 ALA N . 51717 1
320 . 1 . 1 74 74 ARG H H 1 7.980068859 0.001091645841 . 1 . . . . . 73 ARG H . 51717 1
321 . 1 . 1 74 74 ARG C C 13 175.9498437 . . 1 . . . . . 73 ARG C . 51717 1
322 . 1 . 1 74 74 ARG CA C 13 55.74348232 . . 1 . . . . . 73 ARG CA . 51717 1
323 . 1 . 1 74 74 ARG CB C 13 30.58361013 . . 1 . . . . . 73 ARG CB . 51717 1
324 . 1 . 1 74 74 ARG N N 15 120.3420706 0.0007985232993 . 1 . . . . . 73 ARG N . 51717 1
325 . 1 . 1 75 75 LYS H H 1 8.253621981 0.002052986695 . 1 . . . . . 74 LYS H . 51717 1
326 . 1 . 1 75 75 LYS C C 13 176.3611159 . . 1 . . . . . 74 LYS C . 51717 1
327 . 1 . 1 75 75 LYS CA C 13 56.14117797 . . 1 . . . . . 74 LYS CA . 51717 1
328 . 1 . 1 75 75 LYS CB C 13 32.88007365 . . 1 . . . . . 74 LYS CB . 51717 1
329 . 1 . 1 75 75 LYS N N 15 123.2526541 0.000296805756 . 1 . . . . . 74 LYS N . 51717 1
330 . 1 . 1 76 76 SER H H 1 8.228015933 0.001197091987 . 1 . . . . . 75 SER H . 51717 1
331 . 1 . 1 76 76 SER C C 13 174.0698596 . . 1 . . . . . 75 SER C . 51717 1
332 . 1 . 1 76 76 SER CA C 13 58.13561072 . . 1 . . . . . 75 SER CA . 51717 1
333 . 1 . 1 76 76 SER CB C 13 63.59791065 . . 1 . . . . . 75 SER CB . 51717 1
334 . 1 . 1 76 76 SER N N 15 116.9712246 0.000115901841 . 1 . . . . . 75 SER N . 51717 1
335 . 1 . 1 77 77 TYR H H 1 8.007656371 0.0007985103612 . 1 . . . . . 76 TYR H . 51717 1
336 . 1 . 1 77 77 TYR C C 13 175.6831869 . . 1 . . . . . 76 TYR C . 51717 1
337 . 1 . 1 77 77 TYR CA C 13 57.99556003 . . 1 . . . . . 76 TYR CA . 51717 1
338 . 1 . 1 77 77 TYR CB C 13 38.33221559 . . 1 . . . . . 76 TYR CB . 51717 1
339 . 1 . 1 77 77 TYR N N 15 121.3607437 0.0007557277777 . 1 . . . . . 76 TYR N . 51717 1
340 . 1 . 1 78 78 GLU H H 1 8.083157842 0.001006398098 . 1 . . . . . 77 GLU H . 51717 1
341 . 1 . 1 78 78 GLU C C 13 175.813686 . . 1 . . . . . 77 GLU C . 51717 1
342 . 1 . 1 78 78 GLU CA C 13 56.61279651 . . 1 . . . . . 77 GLU CA . 51717 1
343 . 1 . 1 78 78 GLU CB C 13 29.95889187 . . 1 . . . . . 77 GLU CB . 51717 1
344 . 1 . 1 78 78 GLU N N 15 121.5047826 0.0000013487 . 1 . . . . . 77 GLU N . 51717 1
345 . 1 . 1 79 79 ASP H H 1 8.120777035 0.0006978262045 . 1 . . . . . 78 ASP H . 51717 1
346 . 1 . 1 79 79 ASP C C 13 176.2698899 . . 1 . . . . . 78 ASP C . 51717 1
347 . 1 . 1 79 79 ASP CA C 13 54.27668211 . . 1 . . . . . 78 ASP CA . 51717 1
348 . 1 . 1 79 79 ASP CB C 13 40.84785161 . . 1 . . . . . 78 ASP CB . 51717 1
349 . 1 . 1 79 79 ASP N N 15 120.9208945 0.01259400515 . 1 . . . . . 78 ASP N . 51717 1
350 . 1 . 1 80 80 CYS H H 1 8.204934501 0.001858691968 . 1 . . . . . 79 CYS H . 51717 1
351 . 1 . 1 80 80 CYS C C 13 175.0440465 . . 1 . . . . . 79 CYS C . 51717 1
352 . 1 . 1 80 80 CYS CA C 13 58.68192533 . . 1 . . . . . 79 CYS CA . 51717 1
353 . 1 . 1 80 80 CYS CB C 13 27.59278941 . . 1 . . . . . 79 CYS CB . 51717 1
354 . 1 . 1 80 80 CYS N N 15 119.7535217 0.004561952504 . 1 . . . . . 79 CYS N . 51717 1
355 . 1 . 1 81 81 THR H H 1 8.17875123 0.001238713445 . 1 . . . . . 80 THR H . 51717 1
356 . 1 . 1 81 81 THR C C 13 174.7448789 . . 1 . . . . . 80 THR C . 51717 1
357 . 1 . 1 81 81 THR CA C 13 62.2524315 . . 1 . . . . . 80 THR CA . 51717 1
358 . 1 . 1 81 81 THR CB C 13 69.46794749 . . 1 . . . . . 80 THR CB . 51717 1
359 . 1 . 1 81 81 THR N N 15 115.7761022 0.007211876241 . 1 . . . . . 80 THR N . 51717 1
360 . 1 . 1 82 82 SER H H 1 8.138398918 0.0006688346481 . 1 . . . . . 81 SER H . 51717 1
361 . 1 . 1 82 82 SER C C 13 174.8121916 . . 1 . . . . . 81 SER C . 51717 1
362 . 1 . 1 82 82 SER CA C 13 58.65720687 . . 1 . . . . . 81 SER CA . 51717 1
363 . 1 . 1 82 82 SER CB C 13 63.55101109 . . 1 . . . . . 81 SER CB . 51717 1
364 . 1 . 1 82 82 SER N N 15 117.8754345 0.003389145185 . 1 . . . . . 81 SER N . 51717 1
365 . 1 . 1 83 83 GLY H H 1 8.206891898 0.001950303204 . 1 . . . . . 82 GLY H . 51717 1
366 . 1 . 1 83 83 GLY C C 13 173.7501469 . . 1 . . . . . 82 GLY C . 51717 1
367 . 1 . 1 83 83 GLY CA C 13 45.11303561 . . 1 . . . . . 82 GLY CA . 51717 1
368 . 1 . 1 83 83 GLY N N 15 110.7009543 0 . 1 . . . . . 82 GLY N . 51717 1
369 . 1 . 1 84 84 ILE H H 1 7.781203365 0.001396631232 . 1 . . . . . 83 ILE H . 51717 1
370 . 1 . 1 84 84 ILE C C 13 176.2058657 . . 1 . . . . . 83 ILE C . 51717 1
371 . 1 . 1 84 84 ILE CA C 13 61.08557068 . . 1 . . . . . 83 ILE CA . 51717 1
372 . 1 . 1 84 84 ILE CB C 13 38.28217395 . . 1 . . . . . 83 ILE CB . 51717 1
373 . 1 . 1 84 84 ILE N N 15 119.9874842 0.01154092968 . 1 . . . . . 83 ILE N . 51717 1
374 . 1 . 1 85 85 MET H H 1 8.326298531 0.0006883465208 . 1 . . . . . 84 MET H . 51717 1
375 . 1 . 1 85 85 MET C C 13 176.0240798 . . 1 . . . . . 84 MET C . 51717 1
376 . 1 . 1 85 85 MET CA C 13 55.11161551 . . 1 . . . . . 84 MET CA . 51717 1
377 . 1 . 1 85 85 MET CB C 13 32.49865588 . . 1 . . . . . 84 MET CB . 51717 1
378 . 1 . 1 85 85 MET N N 15 124.6587032 0.0000013487 . 1 . . . . . 84 MET N . 51717 1
379 . 1 . 1 86 86 GLU H H 1 8.305542369 0.0009833889763 . 1 . . . . . 85 GLU H . 51717 1
380 . 1 . 1 86 86 GLU C C 13 176.0942813 . . 1 . . . . . 85 GLU C . 51717 1
381 . 1 . 1 86 86 GLU CA C 13 56.55161735 . . 1 . . . . . 85 GLU CA . 51717 1
382 . 1 . 1 86 86 GLU CB C 13 30.07361706 . . 1 . . . . . 85 GLU CB . 51717 1
383 . 1 . 1 86 86 GLU N N 15 122.6875343 0.005018058993 . 1 . . . . . 85 GLU N . 51717 1
384 . 1 . 1 87 87 ASP H H 1 8.290342353 0.001263778413 . 1 . . . . . 86 ASP H . 51717 1
385 . 1 . 1 87 87 ASP C C 13 176.5622769 . . 1 . . . . . 86 ASP C . 51717 1
386 . 1 . 1 87 87 ASP CA C 13 54.55279753 . . 1 . . . . . 86 ASP CA . 51717 1
387 . 1 . 1 87 87 ASP CB C 13 40.90550556 . . 1 . . . . . 86 ASP CB . 51717 1
388 . 1 . 1 87 87 ASP N N 15 121.8969436 0.005300510526 . 1 . . . . . 86 ASP N . 51717 1
389 . 1 . 1 88 88 SER H H 1 8.16122862 0.0005318134839 . 1 . . . . . 87 SER H . 51717 1
390 . 1 . 1 88 88 SER C C 13 174.7167846 . . 1 . . . . . 87 SER C . 51717 1
391 . 1 . 1 88 88 SER CA C 13 59.12109802 . . 1 . . . . . 87 SER CA . 51717 1
392 . 1 . 1 88 88 SER CB C 13 63.34336514 . . 1 . . . . . 87 SER CB . 51717 1
393 . 1 . 1 88 88 SER N N 15 116.6572635 0 . 1 . . . . . 87 SER N . 51717 1
394 . 1 . 1 89 89 ALA H H 1 8.090708736 0.0007802059122 . 1 . . . . . 88 ALA H . 51717 1
395 . 1 . 1 89 89 ALA C C 13 178.1862807 . . 1 . . . . . 88 ALA C . 51717 1
396 . 1 . 1 89 89 ALA CA C 13 53.10483522 . . 1 . . . . . 88 ALA CA . 51717 1
397 . 1 . 1 89 89 ALA CB C 13 18.76031831 . . 1 . . . . . 88 ALA CB . 51717 1
398 . 1 . 1 89 89 ALA N N 15 125.5588585 0.006120502407 . 1 . . . . . 88 ALA N . 51717 1
399 . 1 . 1 90 90 ILE H H 1 7.747872116 0.001088927691 . 1 . . . . . 89 ILE H . 51717 1
400 . 1 . 1 90 90 ILE C C 13 176.6189368 . . 1 . . . . . 89 ILE C . 51717 1
401 . 1 . 1 90 90 ILE CA C 13 61.59757751 . . 1 . . . . . 89 ILE CA . 51717 1
402 . 1 . 1 90 90 ILE CB C 13 37.88941763 . . 1 . . . . . 89 ILE CB . 51717 1
403 . 1 . 1 90 90 ILE N N 15 119.6275517 0.004890961292 . 1 . . . . . 89 ILE N . 51717 1
404 . 1 . 1 91 91 LYS H H 1 8.004829523 0.0005880235624 . 1 . . . . . 90 LYS H . 51717 1
405 . 1 . 1 91 91 LYS C C 13 176.5777579 . . 1 . . . . . 90 LYS C . 51717 1
406 . 1 . 1 91 91 LYS CA C 13 56.49094778 . . 1 . . . . . 90 LYS CA . 51717 1
407 . 1 . 1 91 91 LYS CB C 13 32.48301727 . . 1 . . . . . 90 LYS CB . 51717 1
408 . 1 . 1 91 91 LYS N N 15 124.6581868 0.000957887878 . 1 . . . . . 90 LYS N . 51717 1
409 . 1 . 1 92 92 ALA H H 1 8.030799052 0.001201655887 . 1 . . . . . 91 ALA H . 51717 1
410 . 1 . 1 92 92 ALA C C 13 178.2100453 . . 1 . . . . . 91 ALA C . 51717 1
411 . 1 . 1 92 92 ALA CA C 13 53.03313582 . . 1 . . . . . 91 ALA CA . 51717 1
412 . 1 . 1 92 92 ALA CB C 13 18.70040187 . . 1 . . . . . 91 ALA CB . 51717 1
413 . 1 . 1 92 92 ALA N N 15 124.4250313 0.0000013487 . 1 . . . . . 91 ALA N . 51717 1
414 . 1 . 1 93 93 GLU H H 1 8.166586396 0.0005659531925 . 1 . . . . . 92 GLU H . 51717 1
415 . 1 . 1 93 93 GLU C C 13 176.6519528 . . 1 . . . . . 92 GLU C . 51717 1
416 . 1 . 1 93 93 GLU CA C 13 57.32357761 . . 1 . . . . . 92 GLU CA . 51717 1
417 . 1 . 1 93 93 GLU CB C 13 29.6382258 . . 1 . . . . . 92 GLU CB . 51717 1
418 . 1 . 1 93 93 GLU N N 15 119.2571588 0.01334111059 . 1 . . . . . 92 GLU N . 51717 1
419 . 1 . 1 94 94 TYR H H 1 7.846953202 0.0009908879979 . 1 . . . . . 93 TYR H . 51717 1
420 . 1 . 1 94 94 TYR C C 13 176.1357333 . . 1 . . . . . 93 TYR C . 51717 1
421 . 1 . 1 94 94 TYR CA C 13 58.19129445 . . 1 . . . . . 93 TYR CA . 51717 1
422 . 1 . 1 94 94 TYR CB C 13 38.04566118 . . 1 . . . . . 93 TYR CB . 51717 1
423 . 1 . 1 94 94 TYR N N 15 119.8491022 0.01224260637 . 1 . . . . . 93 TYR N . 51717 1
424 . 1 . 1 95 95 MET H H 1 7.867228496 0.002241791284 . 1 . . . . . 94 MET H . 51717 1
425 . 1 . 1 95 95 MET C C 13 176.2431104 . . 1 . . . . . 94 MET C . 51717 1
426 . 1 . 1 95 95 MET CA C 13 55.57479713 . . 1 . . . . . 94 MET CA . 51717 1
427 . 1 . 1 95 95 MET CB C 13 32.22735198 . . 1 . . . . . 94 MET CB . 51717 1
428 . 1 . 1 95 95 MET N N 15 120.5930511 0.001485438903 . 1 . . . . . 94 MET N . 51717 1
429 . 1 . 1 96 96 LEU H H 1 7.831566953 0.0007524559338 . 1 . . . . . 95 LEU H . 51717 1
430 . 1 . 1 96 96 LEU C C 13 177.2238217 . . 1 . . . . . 95 LEU C . 51717 1
431 . 1 . 1 96 96 LEU CA C 13 55.70491037 . . 1 . . . . . 95 LEU CA . 51717 1
432 . 1 . 1 96 96 LEU CB C 13 41.86728287 . . 1 . . . . . 95 LEU CB . 51717 1
433 . 1 . 1 96 96 LEU N N 15 122.0067797 0.001627833504 . 1 . . . . . 95 LEU N . 51717 1
434 . 1 . 1 97 97 ASN H H 1 8.059146951 0.001522712845 . 1 . . . . . 96 ASN H . 51717 1
435 . 1 . 1 97 97 ASN C C 13 174.4320159 . . 1 . . . . . 96 ASN C . 51717 1
436 . 1 . 1 97 97 ASN CA C 13 53.11513897 . . 1 . . . . . 96 ASN CA . 51717 1
437 . 1 . 1 97 97 ASN CB C 13 38.53221811 . . 1 . . . . . 96 ASN CB . 51717 1
438 . 1 . 1 97 97 ASN N N 15 117.8702215 0.00385119998 . 1 . . . . . 96 ASN N . 51717 1
439 . 1 . 1 98 98 ALA H H 1 7.803347357 0.001361593176 . 1 . . . . . 97 ALA H . 51717 1
440 . 1 . 1 98 98 ALA C C 13 177.1665539 . . 1 . . . . . 97 ALA C . 51717 1
441 . 1 . 1 98 98 ALA CA C 13 52.20664498 . . 1 . . . . . 97 ALA CA . 51717 1
442 . 1 . 1 98 98 ALA CB C 13 19.05800774 . . 1 . . . . . 97 ALA CB . 51717 1
443 . 1 . 1 98 98 ALA N N 15 123.2998482 0.000004265 . 1 . . . . . 97 ALA N . 51717 1
444 . 1 . 1 99 99 ILE H H 1 7.907181791 0.0009883749277 . 1 . . . . . 98 ILE H . 51717 1
445 . 1 . 1 99 99 ILE C C 13 174.4534913 . . 1 . . . . . 98 ILE C . 51717 1
446 . 1 . 1 99 99 ILE CA C 13 58.59133886 . . 1 . . . . . 98 ILE CA . 51717 1
447 . 1 . 1 99 99 ILE CB C 13 38.14245751 . . 1 . . . . . 98 ILE CB . 51717 1
448 . 1 . 1 99 99 ILE N N 15 121.9926743 0.01145991995 . 1 . . . . . 98 ILE N . 51717 1
449 . 1 . 1 100 100 PRO C C 13 176.4207671 . . 1 . . . . . 99 PRO C . 51717 1
450 . 1 . 1 100 100 PRO CA C 13 62.96195759 . . 1 . . . . . 99 PRO CA . 51717 1
451 . 1 . 1 100 100 PRO CB C 13 31.96404111 . . 1 . . . . . 99 PRO CB . 51717 1
452 . 1 . 1 101 101 LYS H H 1 8.226074435 0.0006333134622 . 1 . . . . . 100 LYS H . 51717 1
453 . 1 . 1 101 101 LYS C C 13 176.1555119 . . 1 . . . . . 100 LYS C . 51717 1
454 . 1 . 1 101 101 LYS CA C 13 56.02757533 . . 1 . . . . . 100 LYS CA . 51717 1
455 . 1 . 1 101 101 LYS CB C 13 32.86305117 . . 1 . . . . . 100 LYS CB . 51717 1
456 . 1 . 1 101 101 LYS N N 15 122.2024534 0.0004357237657 . 1 . . . . . 100 LYS N . 51717 1
457 . 1 . 1 102 102 ARG H H 1 8.237786247 0.001074807905 . 1 . . . . . 101 ARG H . 51717 1
458 . 1 . 1 102 102 ARG C C 13 174.9720655 . . 1 . . . . . 101 ARG C . 51717 1
459 . 1 . 1 102 102 ARG CA C 13 55.75335867 . . 1 . . . . . 101 ARG CA . 51717 1
460 . 1 . 1 102 102 ARG CB C 13 30.53909303 . . 1 . . . . . 101 ARG CB . 51717 1
461 . 1 . 1 102 102 ARG N N 15 123.8646275 0.003556142193 . 1 . . . . . 101 ARG N . 51717 1
462 . 1 . 1 103 103 LEU H H 1 7.859922045 0.001343615708 . 1 . . . . . 102 LEU H . 51717 1
463 . 1 . 1 103 103 LEU C C 13 174.3896416 . . 1 . . . . . 102 LEU C . 51717 1
464 . 1 . 1 103 103 LEU CA C 13 56.44560152 . . 1 . . . . . 102 LEU CA . 51717 1
465 . 1 . 1 103 103 LEU CB C 13 42.96943415 . . 1 . . . . . 102 LEU CB . 51717 1
466 . 1 . 1 103 103 LEU N N 15 129.9278774 0.003116467005 . 1 . . . . . 102 LEU N . 51717 1
stop_
save_