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 51827
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name Assigned_chem_shift_list_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 $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' . . . 51827 1
2 '3D CBCA(CO)NH' . . . 51827 1
3 '3D HNCO' . . . 51827 1
4 '3D HNCACB' . . . 51827 1
5 '3D HN(CA)CO' . . . 51827 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
3 $software_3 . . 51827 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 2 2 ALA C C 13 177.6755924 0 . . . . . . . 2 ALA C . 51827 1
2 . 1 . 1 2 2 ALA CA C 13 52.86107611 . . . . . . . . 2 ALA CA . 51827 1
3 . 1 . 1 2 2 ALA CB C 13 19.42993095 . . . . . . . . 2 ALA CB . 51827 1
4 . 1 . 1 3 3 MET H H 1 8.384680415 0.0006078143488 . . . . . . . 3 MET H . 51827 1
5 . 1 . 1 3 3 MET C C 13 175.5992862 0.01848977203 . . . . . . . 3 MET C . 51827 1
6 . 1 . 1 3 3 MET CA C 13 55.07094913 0.01692082003 . . . . . . . 3 MET CA . 51827 1
7 . 1 . 1 3 3 MET CB C 13 32.81708082 0.007352483465 . . . . . . . 3 MET CB . 51827 1
8 . 1 . 1 3 3 MET N N 15 118.7144967 0.01810205377 . . . . . . . 3 MET N . 51827 1
9 . 1 . 1 4 4 ASP H H 1 8.16065497 0.000881974253 . . . . . . . 4 ASP H . 51827 1
10 . 1 . 1 4 4 ASP C C 13 174.9181434 . . . . . . . . 4 ASP C . 51827 1
11 . 1 . 1 4 4 ASP CA C 13 52.44305897 . . . . . . . . 4 ASP CA . 51827 1
12 . 1 . 1 4 4 ASP CB C 13 41.33873784 . . . . . . . . 4 ASP CB . 51827 1
13 . 1 . 1 4 4 ASP N N 15 123.4775394 0.0006366202879 . . . . . . . 4 ASP N . 51827 1
14 . 1 . 1 5 5 PRO C C 13 177.8502575 0 . . . . . . . 5 PRO C . 51827 1
15 . 1 . 1 5 5 PRO CA C 13 64.30774068 0 . . . . . . . 5 PRO CA . 51827 1
16 . 1 . 1 5 5 PRO CB C 13 32.22216255 . . . . . . . . 5 PRO CB . 51827 1
17 . 1 . 1 6 6 GLU H H 1 8.483059131 0.001790807998 . . . . . . . 6 GLU H . 51827 1
18 . 1 . 1 6 6 GLU C C 13 177.4296313 0.00819753058 . . . . . . . 6 GLU C . 51827 1
19 . 1 . 1 6 6 GLU CA C 13 57.17133953 0.00244826707 . . . . . . . 6 GLU CA . 51827 1
20 . 1 . 1 6 6 GLU CB C 13 29.29563077 0.01607779073 . . . . . . . 6 GLU CB . 51827 1
21 . 1 . 1 6 6 GLU N N 15 118.3288169 0.01952550126 . . . . . . . 6 GLU N . 51827 1
22 . 1 . 1 7 7 PHE H H 1 7.891333073 0.001334450075 . . . . . . . 7 PHE H . 51827 1
23 . 1 . 1 7 7 PHE C C 13 176.5271947 0.003051409105 . . . . . . . 7 PHE C . 51827 1
24 . 1 . 1 7 7 PHE CA C 13 59.89390699 0.03957364002 . . . . . . . 7 PHE CA . 51827 1
25 . 1 . 1 7 7 PHE CB C 13 39.11263071 0.01660607243 . . . . . . . 7 PHE CB . 51827 1
26 . 1 . 1 7 7 PHE N N 15 119.9900105 0.04424417196 . . . . . . . 7 PHE N . 51827 1
27 . 1 . 1 8 8 TRP H H 1 7.514502289 0.0005777389576 . . . . . . . 8 TRP H . 51827 1
28 . 1 . 1 8 8 TRP C C 13 176.8328587 0.003051408509 . . . . . . . 8 TRP C . 51827 1
29 . 1 . 1 8 8 TRP CA C 13 57.7658511 0.06824672733 . . . . . . . 8 TRP CA . 51827 1
30 . 1 . 1 8 8 TRP CB C 13 29.15050463 0.04886918403 . . . . . . . 8 TRP CB . 51827 1
31 . 1 . 1 8 8 TRP N N 15 118.4551603 0.02573705761 . . . . . . . 8 TRP N . 51827 1
32 . 1 . 1 9 9 ARG H H 1 7.555528438 0.001576267831 . . . . . . . 9 ARG H . 51827 1
33 . 1 . 1 9 9 ARG C C 13 176.7891924 0.003051409105 . . . . . . . 9 ARG C . 51827 1
34 . 1 . 1 9 9 ARG CA C 13 57.30184358 0.0742413024 . . . . . . . 9 ARG CA . 51827 1
35 . 1 . 1 9 9 ARG CB C 13 30.47892462 0.0005515726101 . . . . . . . 9 ARG CB . 51827 1
36 . 1 . 1 9 9 ARG N N 15 120.5205314 0.0009516752271 . . . . . . . 9 ARG N . 51827 1
37 . 1 . 1 10 10 LYS H H 1 7.81020344 0.001275720272 . . . . . . . 10 LYS H . 51827 1
38 . 1 . 1 10 10 LYS C C 13 176.7564427 0.003051408509 . . . . . . . 10 LYS C . 51827 1
39 . 1 . 1 10 10 LYS CA C 13 56.82806114 0.09432764554 . . . . . . . 10 LYS CA . 51827 1
40 . 1 . 1 10 10 LYS CB C 13 32.79311393 0.0797413618 . . . . . . . 10 LYS CB . 51827 1
41 . 1 . 1 10 10 LYS N N 15 120.1309071 0.01155047962 . . . . . . . 10 LYS N . 51827 1
42 . 1 . 1 11 11 LYS H H 1 7.930377187 0.0003924960925 . . . . . . . 11 LYS H . 51827 1
43 . 1 . 1 11 11 LYS C C 13 176.6393228 0.0102922418 . . . . . . . 11 LYS C . 51827 1
44 . 1 . 1 11 11 LYS CA C 13 56.56765368 0.04561768986 . . . . . . . 11 LYS CA . 51827 1
45 . 1 . 1 11 11 LYS CB C 13 33.00360598 0.005278880198 . . . . . . . 11 LYS CB . 51827 1
46 . 1 . 1 11 11 LYS N N 15 121.414883 0.01530396254 . . . . . . . 11 LYS N . 51827 1
47 . 1 . 1 12 12 LYS H H 1 8.217400641 0.000464218025 . . . . . . . 12 LYS H . 51827 1
48 . 1 . 1 12 12 LYS C C 13 176.6975445 0 . . . . . . . 12 LYS C . 51827 1
49 . 1 . 1 12 12 LYS CA C 13 56.51784943 0.004186563285 . . . . . . . 12 LYS CA . 51827 1
50 . 1 . 1 12 12 LYS CB C 13 32.93956394 0.05876316007 . . . . . . . 12 LYS CB . 51827 1
51 . 1 . 1 12 12 LYS N N 15 122.1889243 0.006663154083 . . . . . . . 12 LYS N . 51827 1
52 . 1 . 1 13 13 THR H H 1 8.045608377 0.001300276259 . . . . . . . 13 THR H . 51827 1
53 . 1 . 1 13 13 THR C C 13 174.954173 0.004638385999 . . . . . . . 13 THR C . 51827 1
54 . 1 . 1 13 13 THR CA C 13 61.86844287 0.02415062042 . . . . . . . 13 THR CA . 51827 1
55 . 1 . 1 13 13 THR CB C 13 69.99643081 0.03158887626 . . . . . . . 13 THR CB . 51827 1
56 . 1 . 1 13 13 THR N N 15 114.5945089 0.0358946865 . . . . . . . 13 THR N . 51827 1
57 . 1 . 1 14 14 GLY H H 1 8.344020714 0.0002390170335 . . . . . . . 14 GLY H . 51827 1
58 . 1 . 1 14 14 GLY C C 13 174.1463467 0.01079997742 . . . . . . . 14 GLY C . 51827 1
59 . 1 . 1 14 14 GLY CA C 13 45.38654429 0.0004514572737 . . . . . . . 14 GLY CA . 51827 1
60 . 1 . 1 14 14 GLY N N 15 111.001214 0.01900005597 . . . . . . . 14 GLY N . 51827 1
61 . 1 . 1 15 15 VAL H H 1 7.995027719 0.001040413712 . . . . . . . 15 VAL H . 51827 1
62 . 1 . 1 15 15 VAL C C 13 176.7444906 0.004638386391 . . . . . . . 15 VAL C . 51827 1
63 . 1 . 1 15 15 VAL CA C 13 62.43983529 0.002960431045 . . . . . . . 15 VAL CA . 51827 1
64 . 1 . 1 15 15 VAL CB C 13 32.68816733 0.083518097 . . . . . . . 15 VAL CB . 51827 1
65 . 1 . 1 15 15 VAL N N 15 118.9702036 0.02173199443 . . . . . . . 15 VAL N . 51827 1
66 . 1 . 1 16 16 GLY H H 1 8.483090757 0.0004626728303 . . . . . . . 16 GLY H . 51827 1
67 . 1 . 1 16 16 GLY C C 13 174.2693498 0.005146121695 . . . . . . . 16 GLY C . 51827 1
68 . 1 . 1 16 16 GLY CA C 13 45.3751429 0.01362321586 . . . . . . . 16 GLY CA . 51827 1
69 . 1 . 1 16 16 GLY N N 15 112.1749714 0.02240161238 . . . . . . . 16 GLY N . 51827 1
70 . 1 . 1 17 17 THR H H 1 7.962941296 0.001355749371 . . . . . . . 17 THR H . 51827 1
71 . 1 . 1 17 17 THR C C 13 174.3712378 . . . . . . . . 17 THR C . 51827 1
72 . 1 . 1 17 17 THR CA C 13 61.93828668 . . . . . . . . 17 THR CA . 51827 1
73 . 1 . 1 17 17 THR CB C 13 69.79838544 . . . . . . . . 17 THR CB . 51827 1
74 . 1 . 1 17 17 THR N N 15 113.4353846 0.04189798833 . . . . . . . 17 THR N . 51827 1
75 . 1 . 1 18 18 HIS C C 13 174.5906463 0 . . . . . . . 18 HIS C . 51827 1
76 . 1 . 1 19 19 LEU H H 1 8.202203416 0.005419356445 . . . . . . . 19 LEU H . 51827 1
77 . 1 . 1 19 19 LEU C C 13 177.4540678 0.004638387176 . . . . . . . 19 LEU C . 51827 1
78 . 1 . 1 19 19 LEU CA C 13 55.48347668 0.05304332168 . . . . . . . 19 LEU CA . 51827 1
79 . 1 . 1 19 19 LEU CB C 13 42.38777673 0.0363991798 . . . . . . . 19 LEU CB . 51827 1
80 . 1 . 1 19 19 LEU N N 15 123.4772988 0.0000013487 . . . . . . . 19 LEU N . 51827 1
81 . 1 . 1 20 20 THR H H 1 8.098969624 0.002562757248 . . . . . . . 20 THR H . 51827 1
82 . 1 . 1 20 20 THR C C 13 174.4840423 0.005146120988 . . . . . . . 20 THR C . 51827 1
83 . 1 . 1 20 20 THR CA C 13 61.94115386 0.01134348638 . . . . . . . 20 THR CA . 51827 1
84 . 1 . 1 20 20 THR CB C 13 69.82367999 0.04273621635 . . . . . . . 20 THR CB . 51827 1
85 . 1 . 1 20 20 THR N N 15 114.5962298 0.03134149069 . . . . . . . 20 THR N . 51827 1
86 . 1 . 1 21 21 SER H H 1 8.195300016 0.001880433372 . . . . . . . 21 SER H . 51827 1
87 . 1 . 1 21 21 SER C C 13 174.2511555 0.000001907 . . . . . . . 21 SER C . 51827 1
88 . 1 . 1 21 21 SER CA C 13 58.26700513 0.01053029807 . . . . . . . 21 SER CA . 51827 1
89 . 1 . 1 21 21 SER CB C 13 63.81538877 0.005861849196 . . . . . . . 21 SER CB . 51827 1
90 . 1 . 1 21 21 SER N N 15 117.6928567 0.0004398599867 . . . . . . . 21 SER N . 51827 1
91 . 1 . 1 22 22 LEU H H 1 8.121259009 0.002224938442 . . . . . . . 22 LEU H . 51827 1
92 . 1 . 1 22 22 LEU C C 13 176.6637177 0.000001907 . . . . . . . 22 LEU C . 51827 1
93 . 1 . 1 22 22 LEU CA C 13 55.13769863 0.02779160011 . . . . . . . 22 LEU CA . 51827 1
94 . 1 . 1 22 22 LEU CB C 13 42.53351651 0.009383238662 . . . . . . . 22 LEU CB . 51827 1
95 . 1 . 1 22 22 LEU N N 15 124.1098634 0.02865970079 . . . . . . . 22 LEU N . 51827 1
96 . 1 . 1 23 23 ALA H H 1 8.10494695 0.0007498237306 . . . . . . . 23 ALA H . 51827 1
97 . 1 . 1 23 23 ALA C C 13 177.0312423 0.0102922418 . . . . . . . 23 ALA C . 51827 1
98 . 1 . 1 23 23 ALA CA C 13 52.04722008 0.007862067176 . . . . . . . 23 ALA CA . 51827 1
99 . 1 . 1 23 23 ALA CB C 13 19.32888295 0.009960652807 . . . . . . . 23 ALA CB . 51827 1
100 . 1 . 1 23 23 ALA N N 15 124.7574502 0.01482998673 . . . . . . . 23 ALA N . 51827 1
101 . 1 . 1 24 24 LEU H H 1 8.078446066 0.0006597950847 . . . . . . . 24 LEU H . 51827 1
102 . 1 . 1 24 24 LEU C C 13 175.25548 . . . . . . . . 24 LEU C . 51827 1
103 . 1 . 1 24 24 LEU CA C 13 52.93980066 . . . . . . . . 24 LEU CA . 51827 1
104 . 1 . 1 24 24 LEU CB C 13 41.91188534 . . . . . . . . 24 LEU CB . 51827 1
105 . 1 . 1 24 24 LEU N N 15 122.9619521 0.003362589374 . . . . . . . 24 LEU N . 51827 1
106 . 1 . 1 25 25 PRO C C 13 177.5028319 0 . . . . . . . 25 PRO C . 51827 1
107 . 1 . 1 25 25 PRO CA C 13 63.42139303 . . . . . . . . 25 PRO CA . 51827 1
108 . 1 . 1 25 25 PRO CB C 13 31.98608176 . . . . . . . . 25 PRO CB . 51827 1
109 . 1 . 1 26 26 GLY H H 1 8.380784777 0.0002297168577 . . . . . . . 26 GLY H . 51827 1
110 . 1 . 1 26 26 GLY C C 13 174.0702398 0.02221060548 . . . . . . . 26 GLY C . 51827 1
111 . 1 . 1 26 26 GLY CA C 13 45.22447627 0.0230801551 . . . . . . . 26 GLY CA . 51827 1
112 . 1 . 1 26 26 GLY N N 15 109.201796 0.01867059682 . . . . . . . 26 GLY N . 51827 1
113 . 1 . 1 27 27 LYS H H 1 8.072829312 0.0004119087729 . . . . . . . 27 LYS H . 51827 1
114 . 1 . 1 27 27 LYS C C 13 176.4100249 0.001626124057 . . . . . . . 27 LYS C . 51827 1
115 . 1 . 1 27 27 LYS CA C 13 56.15537678 0.007762036579 . . . . . . . 27 LYS CA . 51827 1
116 . 1 . 1 27 27 LYS CB C 13 33.20314151 0.01927625408 . . . . . . . 27 LYS CB . 51827 1
117 . 1 . 1 27 27 LYS N N 15 120.8988943 0.01865345641 . . . . . . . 27 LYS N . 51827 1
118 . 1 . 1 28 28 ALA H H 1 8.34020753 0.0007869256675 . . . . . . . 28 ALA H . 51827 1
119 . 1 . 1 28 28 ALA C C 13 177.7745963 0.001626119582 . . . . . . . 28 ALA C . 51827 1
120 . 1 . 1 28 28 ALA CA C 13 52.70462952 0.008713267325 . . . . . . . 28 ALA CA . 51827 1
121 . 1 . 1 28 28 ALA CB C 13 19.30865083 0.04134171688 . . . . . . . 28 ALA CB . 51827 1
122 . 1 . 1 28 28 ALA N N 15 125.5196778 0.03770821701 . . . . . . . 28 ALA N . 51827 1
123 . 1 . 1 29 29 GLU H H 1 8.390379647 0.0001325669476 . . . . . . . 29 GLU H . 51827 1
124 . 1 . 1 29 29 GLU C C 13 176.5896681 0.005146120988 . . . . . . . 29 GLU C . 51827 1
125 . 1 . 1 29 29 GLU CA C 13 56.79586122 0.002732096079 . . . . . . . 29 GLU CA . 51827 1
126 . 1 . 1 29 29 GLU CB C 13 30.40041778 0.0790584147 . . . . . . . 29 GLU CB . 51827 1
127 . 1 . 1 29 29 GLU N N 15 120.1262484 0.02552465607 . . . . . . . 29 GLU N . 51827 1
128 . 1 . 1 30 30 SER H H 1 8.264227237 0.000631095375 . . . . . . . 30 SER H . 51827 1
129 . 1 . 1 30 30 SER C C 13 174.6428795 0.005146120988 . . . . . . . 30 SER C . 51827 1
130 . 1 . 1 30 30 SER CA C 13 58.30554145 0.02816267523 . . . . . . . 30 SER CA . 51827 1
131 . 1 . 1 30 30 SER CB C 13 63.80995103 0.0360861764 . . . . . . . 30 SER CB . 51827 1
132 . 1 . 1 30 30 SER N N 15 116.6552385 0.02505173874 . . . . . . . 30 SER N . 51827 1
133 . 1 . 1 31 31 VAL H H 1 8.086213062 0.001068338795 . . . . . . . 31 VAL H . 51827 1
134 . 1 . 1 31 31 VAL C C 13 176.1704362 0.00406663413 . . . . . . . 31 VAL C . 51827 1
135 . 1 . 1 31 31 VAL CA C 13 62.57487818 0.03865848249 . . . . . . . 31 VAL CA . 51827 1
136 . 1 . 1 31 31 VAL CB C 13 32.77838231 0.0219340381 . . . . . . . 31 VAL CB . 51827 1
137 . 1 . 1 31 31 VAL N N 15 121.5506895 0.004193665236 . . . . . . . 31 VAL N . 51827 1
138 . 1 . 1 32 32 ALA H H 1 8.274937594 0.000420238954 . . . . . . . 32 ALA H . 51827 1
139 . 1 . 1 32 32 ALA C C 13 177.8843379 0.01137172948 . . . . . . . 32 ALA C . 51827 1
140 . 1 . 1 32 32 ALA CA C 13 52.95740231 0.03950586772 . . . . . . . 32 ALA CA . 51827 1
141 . 1 . 1 32 32 ALA CB C 13 19.1706563 0.0595756959 . . . . . . . 32 ALA CB . 51827 1
142 . 1 . 1 32 32 ALA N N 15 127.0665595 0.02784376485 . . . . . . . 32 ALA N . 51827 1
143 . 1 . 1 33 33 SER H H 1 8.140757714 0.001146590524 . . . . . . . 33 SER H . 51827 1
144 . 1 . 1 33 33 SER C C 13 174.8349757 0.001079490242 . . . . . . . 33 SER C . 51827 1
145 . 1 . 1 33 33 SER CA C 13 58.43950083 0.002782327126 . . . . . . . 33 SER CA . 51827 1
146 . 1 . 1 33 33 SER CB C 13 63.72285989 0.005637022548 . . . . . . . 33 SER CB . 51827 1
147 . 1 . 1 33 33 SER N N 15 114.6070951 0.002594725772 . . . . . . . 33 SER N . 51827 1
148 . 1 . 1 34 34 LEU H H 1 8.217284099 0.0007033163812 . . . . . . . 34 LEU H . 51827 1
149 . 1 . 1 34 34 LEU C C 13 177.880699 0.001079488557 . . . . . . . 34 LEU C . 51827 1
150 . 1 . 1 34 34 LEU CA C 13 55.73077189 0.05206047825 . . . . . . . 34 LEU CA . 51827 1
151 . 1 . 1 34 34 LEU CB C 13 42.37191878 0.03049080215 . . . . . . . 34 LEU CB . 51827 1
152 . 1 . 1 34 34 LEU N N 15 123.8554826 0.01967000688 . . . . . . . 34 LEU N . 51827 1
153 . 1 . 1 35 35 THR H H 1 8.026642728 0.0007393454417 . . . . . . . 35 THR H . 51827 1
154 . 1 . 1 35 35 THR C C 13 174.8022259 0.001079485186 . . . . . . . 35 THR C . 51827 1
155 . 1 . 1 35 35 THR CA C 13 62.07751815 0.00006419 . . . . . . . 35 THR CA . 51827 1
156 . 1 . 1 35 35 THR CB C 13 69.7239088 0.04031807048 . . . . . . . 35 THR CB . 51827 1
157 . 1 . 1 35 35 THR N N 15 113.315459 0.0216664183 . . . . . . . 35 THR N . 51827 1
158 . 1 . 1 36 36 SER H H 1 8.145552813 0.0009638582828 . . . . . . . 36 SER H . 51827 1
159 . 1 . 1 36 36 SER C C 13 174.5948111 0.01651785049 . . . . . . . 36 SER C . 51827 1
160 . 1 . 1 36 36 SER CA C 13 58.55866699 0.008508342574 . . . . . . . 36 SER CA . 51827 1
161 . 1 . 1 36 36 SER CB C 13 63.72163066 0.02673143824 . . . . . . . 36 SER CB . 51827 1
162 . 1 . 1 36 36 SER N N 15 117.5337563 0.05329545363 . . . . . . . 36 SER N . 51827 1
163 . 1 . 1 37 37 GLN H H 1 8.307644022 0.003306006807 . . . . . . . 37 GLN H . 51827 1
164 . 1 . 1 37 37 GLN C C 13 175.8850787 0.005146120281 . . . . . . . 37 GLN C . 51827 1
165 . 1 . 1 37 37 GLN CA C 13 56.15893611 0.05468328678 . . . . . . . 37 GLN CA . 51827 1
166 . 1 . 1 37 37 GLN CB C 13 29.39357423 0.002642878069 . . . . . . . 37 GLN CB . 51827 1
167 . 1 . 1 37 37 GLN N N 15 121.7596619 0.1148750861 . . . . . . . 37 GLN N . 51827 1
168 . 1 . 1 38 38 CYS H H 1 8.260296112 0.001301007331 . . . . . . . 38 CYS H . 51827 1
169 . 1 . 1 38 38 CYS C C 13 174.4622856 0 . . . . . . . 38 CYS C . 51827 1
170 . 1 . 1 38 38 CYS CA C 13 58.51931594 0.03248324624 . . . . . . . 38 CYS CA . 51827 1
171 . 1 . 1 38 38 CYS CB C 13 28.1180353 0.04860644977 . . . . . . . 38 CYS CB . 51827 1
172 . 1 . 1 38 38 CYS N N 15 119.9953477 0.03012336486 . . . . . . . 38 CYS N . 51827 1
173 . 1 . 1 39 39 SER H H 1 8.289817973 0.0009952891956 . . . . . . . 39 SER H . 51827 1
174 . 1 . 1 39 39 SER C C 13 174.1420662 0.005146120281 . . . . . . . 39 SER C . 51827 1
175 . 1 . 1 39 39 SER CA C 13 58.48683269 . . . . . . . . 39 SER CA . 51827 1
176 . 1 . 1 39 39 SER CB C 13 63.79762166 0.011236626 . . . . . . . 39 SER CB . 51827 1
177 . 1 . 1 39 39 SER N N 15 118.1971635 0.02453719036 . . . . . . . 39 SER N . 51827 1
178 . 1 . 1 40 40 TYR H H 1 8.119866125 0.001049572393 . . . . . . . 40 TYR H . 51827 1
179 . 1 . 1 40 40 TYR C C 13 175.8159404 0.000001907 . . . . . . . 40 TYR C . 51827 1
180 . 1 . 1 40 40 TYR CA C 13 58.14237703 0.005309888684 . . . . . . . 40 TYR CA . 51827 1
181 . 1 . 1 40 40 TYR CB C 13 38.85736768 0.07457247601 . . . . . . . 40 TYR CB . 51827 1
182 . 1 . 1 40 40 TYR N N 15 122.1753087 0.0439073121 . . . . . . . 40 TYR N . 51827 1
183 . 1 . 1 41 41 SER H H 1 8.116965639 0.000931323534 . . . . . . . 41 SER H . 51827 1
184 . 1 . 1 41 41 SER C C 13 174.4077028 0.000001907 . . . . . . . 41 SER C . 51827 1
185 . 1 . 1 41 41 SER CA C 13 58.14768692 . . . . . . . . 41 SER CA . 51827 1
186 . 1 . 1 41 41 SER CB C 13 63.87381911 0.01679399333 . . . . . . . 41 SER CB . 51827 1
187 . 1 . 1 41 41 SER N N 15 117.0410826 0.0226405539 . . . . . . . 41 SER N . 51827 1
188 . 1 . 1 42 42 SER H H 1 8.256276992 0.0007218822643 . . . . . . . 42 SER H . 51827 1
189 . 1 . 1 42 42 SER C C 13 174.655145 0.005146121695 . . . . . . . 42 SER C . 51827 1
190 . 1 . 1 42 42 SER CA C 13 58.5013848 0.001152407196 . . . . . . . 42 SER CA . 51827 1
191 . 1 . 1 42 42 SER CB C 13 63.80291026 . . . . . . . . 42 SER CB . 51827 1
192 . 1 . 1 42 42 SER N N 15 117.8123094 0.02266513151 . . . . . . . 42 SER N . 51827 1
193 . 1 . 1 43 43 THR H H 1 8.087664902 0.001227825052 . . . . . . . 43 THR H . 51827 1
194 . 1 . 1 43 43 THR C C 13 174.2839816 0.005146121342 . . . . . . . 43 THR C . 51827 1
195 . 1 . 1 43 43 THR CA C 13 62.20589127 0.04341963725 . . . . . . . 43 THR CA . 51827 1
196 . 1 . 1 43 43 THR CB C 13 69.63290153 0.007984263556 . . . . . . . 43 THR CB . 51827 1
197 . 1 . 1 43 43 THR N N 15 115.891011 0.006507016513 . . . . . . . 43 THR N . 51827 1
198 . 1 . 1 44 44 ILE H H 1 7.967258981 0.0008255950436 . . . . . . . 44 ILE H . 51827 1
199 . 1 . 1 44 44 ILE C C 13 175.7613576 0 . . . . . . . 44 ILE C . 51827 1
200 . 1 . 1 44 44 ILE CA C 13 61.10646907 0.004111398816 . . . . . . . 44 ILE CA . 51827 1
201 . 1 . 1 44 44 ILE CB C 13 38.65552306 0.005267149056 . . . . . . . 44 ILE CB . 51827 1
202 . 1 . 1 44 44 ILE N N 15 123.4631479 0.04002464067 . . . . . . . 44 ILE N . 51827 1
203 . 1 . 1 45 45 VAL H H 1 8.072396031 0.001729007496 . . . . . . . 45 VAL H . 51827 1
204 . 1 . 1 45 45 VAL C C 13 175.5995921 0.001402260611 . . . . . . . 45 VAL C . 51827 1
205 . 1 . 1 45 45 VAL CA C 13 62.21231416 0.01852446387 . . . . . . . 45 VAL CA . 51827 1
206 . 1 . 1 45 45 VAL CB C 13 32.91764506 0.03475080483 . . . . . . . 45 VAL CB . 51827 1
207 . 1 . 1 45 45 VAL N N 15 124.6365814 0.006865929345 . . . . . . . 45 VAL N . 51827 1
208 . 1 . 1 46 46 HIS H H 1 8.535554036 0.005178792076 . . . . . . . 46 HIS H . 51827 1
209 . 1 . 1 46 46 HIS C C 13 174.6835917 0 . . . . . . . 46 HIS C . 51827 1
210 . 1 . 1 46 46 HIS CA C 13 55.43464966 0.02348056392 . . . . . . . 46 HIS CA . 51827 1
211 . 1 . 1 46 46 HIS CB C 13 29.89169527 0.007086971767 . . . . . . . 46 HIS CB . 51827 1
212 . 1 . 1 46 46 HIS N N 15 123.8504417 0.03300694356 . . . . . . . 46 HIS N . 51827 1
213 . 1 . 1 47 47 VAL H H 1 8.218729903 0.002829440232 . . . . . . . 47 VAL H . 51827 1
214 . 1 . 1 47 47 VAL C C 13 176.4193265 0 . . . . . . . 47 VAL C . 51827 1
215 . 1 . 1 47 47 VAL CA C 13 62.75011217 0.009830839529 . . . . . . . 47 VAL CA . 51827 1
216 . 1 . 1 47 47 VAL CB C 13 32.76018078 0.0581277729 . . . . . . . 47 VAL CB . 51827 1
217 . 1 . 1 47 47 VAL N N 15 122.6950771 0.02906336757 . . . . . . . 47 VAL N . 51827 1
218 . 1 . 1 48 48 GLY H H 1 8.433946467 0.00181030952 . . . . . . . 48 GLY H . 51827 1
219 . 1 . 1 48 48 GLY C C 13 173.8284603 0.005146121695 . . . . . . . 48 GLY C . 51827 1
220 . 1 . 1 48 48 GLY CA C 13 45.27111144 0.02378355552 . . . . . . . 48 GLY CA . 51827 1
221 . 1 . 1 48 48 GLY N N 15 112.4124814 0.0255321735 . . . . . . . 48 GLY N . 51827 1
222 . 1 . 1 49 49 ASP H H 1 8.134271032 0.0006695562914 . . . . . . . 49 ASP H . 51827 1
223 . 1 . 1 49 49 ASP C C 13 176.1682454 0.0154383632 . . . . . . . 49 ASP C . 51827 1
224 . 1 . 1 49 49 ASP CA C 13 54.44430111 0.001384255396 . . . . . . . 49 ASP CA . 51827 1
225 . 1 . 1 49 49 ASP CB C 13 41.42599492 0.01632662516 . . . . . . . 49 ASP CB . 51827 1
226 . 1 . 1 49 49 ASP N N 15 120.5135508 0.01798013762 . . . . . . . 49 ASP N . 51827 1
227 . 1 . 1 50 50 LYS H H 1 8.19159857 0.001415011495 . . . . . . . 50 LYS H . 51827 1
228 . 1 . 1 50 50 LYS C C 13 176.1965351 0.01228471224 . . . . . . . 50 LYS C . 51827 1
229 . 1 . 1 50 50 LYS CA C 13 56.06489458 0.006541139061 . . . . . . . 50 LYS CA . 51827 1
230 . 1 . 1 50 50 LYS CB C 13 33.00732597 0.07720938381 . . . . . . . 50 LYS CB . 51827 1
231 . 1 . 1 50 50 LYS N N 15 121.2832638 0.02345211344 . . . . . . . 50 LYS N . 51827 1
232 . 1 . 1 51 51 LYS H H 1 8.312537568 0.001040019405 . . . . . . . 51 LYS H . 51827 1
233 . 1 . 1 51 51 LYS C C 13 174.5568195 . . . . . . . . 51 LYS C . 51827 1
234 . 1 . 1 51 51 LYS CA C 13 54.21256605 . . . . . . . . 51 LYS CA . 51827 1
235 . 1 . 1 51 51 LYS CB C 13 32.57951255 . . . . . . . . 51 LYS CB . 51827 1
236 . 1 . 1 51 51 LYS N N 15 124.3839685 0.01823842159 . . . . . . . 51 LYS N . 51827 1
237 . 1 . 1 52 52 PRO C C 13 176.5503254 0 . . . . . . . 52 PRO C . 51827 1
238 . 1 . 1 53 53 GLN H H 1 8.315010375 0.0004727013912 . . . . . . . 53 GLN H . 51827 1
239 . 1 . 1 53 53 GLN C C 13 173.9740145 . . . . . . . . 53 GLN C . 51827 1
240 . 1 . 1 53 53 GLN CA C 13 53.50433641 . . . . . . . . 53 GLN CA . 51827 1
241 . 1 . 1 53 53 GLN N N 15 121.4206674 0 . . . . . . . 53 GLN N . 51827 1
242 . 1 . 1 54 54 PRO C C 13 175.9826637 0 . . . . . . . 54 PRO C . 51827 1
243 . 1 . 1 55 55 GLU H H 1 7.968057359 0.001254635145 . . . . . . . 55 GLU H . 51827 1
244 . 1 . 1 55 55 GLU C C 13 171.1502972 . . . . . . . . 55 GLU C . 51827 1
245 . 1 . 1 55 55 GLU CA C 13 58.09181547 . . . . . . . . 55 GLU CA . 51827 1
246 . 1 . 1 55 55 GLU N N 15 126.2931263 0.02408130753 . . . . . . . 55 GLU N . 51827 1
stop_
save_