Content for NMR-STAR saveframe, assigned_chemical_shifts_2
save_assigned_chemical_shifts_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2
_Assigned_chem_shift_list.Entry_ID 53285
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name SH3_1MChGlu_assignF
_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
;
Backbone 1H, 13C, and 15N chemical shift assignments for the folded drkN SH3 protein in 1M [Ch][Glu] aqueous-Ionic Liquid, pH 7.1, 600 MHz, 298 K
;
_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' . . . 53285 2
2 '3D HNCACB' . . . 53285 2
3 '3D HN(CO)CACB' . . . 53285 2
4 '3D HNCO' . . . 53285 2
5 '3D HN(CA)CO' . . . 53285 2
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 . . 53285 2
2 $software_2 . . 53285 2
3 $software_3 . . 53285 2
4 $software_4 . . 53285 2
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 1 1 MET C C 13 173.32486 0.01885827212 . . . . . . . 1 MET C . 53285 2
2 . 1 . 1 1 1 MET CA C 13 55.56390528 0 . . . . . . . 1 MET CA . 53285 2
3 . 1 . 1 1 1 MET CB C 13 34.20808592 0 . . . . . . . 1 MET CB . 53285 2
4 . 1 . 1 2 2 GLU H H 1 8.860951996 0.002709690817 . . . . . . . 2 GLU H . 53285 2
5 . 1 . 1 2 2 GLU C C 13 174.1336762 0.008040895257 . . . . . . . 2 GLU C . 53285 2
6 . 1 . 1 2 2 GLU CA C 13 55.31466247 0.06334558991 . . . . . . . 2 GLU CA . 53285 2
7 . 1 . 1 2 2 GLU CB C 13 34.06884664 0.02931850303 . . . . . . . 2 GLU CB . 53285 2
8 . 1 . 1 2 2 GLU N N 15 124.6753197 0.02258924426 . . . . . . . 2 GLU N . 53285 2
9 . 1 . 1 3 3 ALA H H 1 8.972672817 0.001618753197 . . . . . . . 3 ALA H . 53285 2
10 . 1 . 1 3 3 ALA C C 13 174.4017819 0.00647166258 . . . . . . . 3 ALA C . 53285 2
11 . 1 . 1 3 3 ALA CA C 13 50.38369293 0.01859717795 . . . . . . . 3 ALA CA . 53285 2
12 . 1 . 1 3 3 ALA CB C 13 25.06718278 0.02071790989 . . . . . . . 3 ALA CB . 53285 2
13 . 1 . 1 3 3 ALA N N 15 122.0903933 0.02591148442 . . . . . . . 3 ALA N . 53285 2
14 . 1 . 1 4 4 ILE H H 1 8.875724871 0.001923102105 . . . . . . . 4 ILE H . 53285 2
15 . 1 . 1 4 4 ILE C C 13 175.9987488 0.01307177239 . . . . . . . 4 ILE C . 53285 2
16 . 1 . 1 4 4 ILE CA C 13 59.20252121 0.04943618967 . . . . . . . 4 ILE CA . 53285 2
17 . 1 . 1 4 4 ILE CB C 13 41.02493573 0.0335643785 . . . . . . . 4 ILE CB . 53285 2
18 . 1 . 1 4 4 ILE N N 15 119.0534028 0.01180895447 . . . . . . . 4 ILE N . 53285 2
19 . 1 . 1 5 5 ALA H H 1 8.79506969 0.001402801772 . . . . . . . 5 ALA H . 53285 2
20 . 1 . 1 5 5 ALA C C 13 178.8688931 0.007478361552 . . . . . . . 5 ALA C . 53285 2
21 . 1 . 1 5 5 ALA CA C 13 52.91503707 0.04935141447 . . . . . . . 5 ALA CA . 53285 2
22 . 1 . 1 5 5 ALA CB C 13 21.37630901 0.02884411668 . . . . . . . 5 ALA CB . 53285 2
23 . 1 . 1 5 5 ALA N N 15 128.1814904 0.03463413763 . . . . . . . 5 ALA N . 53285 2
24 . 1 . 1 6 6 LYS H H 1 9.355409161 0.001455132855 . . . . . . . 6 LYS H . 53285 2
25 . 1 . 1 6 6 LYS C C 13 174.3073948 0.006269608436 . . . . . . . 6 LYS C . 53285 2
26 . 1 . 1 6 6 LYS CA C 13 56.18187874 0.02325368133 . . . . . . . 6 LYS CA . 53285 2
27 . 1 . 1 6 6 LYS CB C 13 33.11385885 0.02847189992 . . . . . . . 6 LYS CB . 53285 2
28 . 1 . 1 6 6 LYS N N 15 126.18098 0.02871019247 . . . . . . . 6 LYS N . 53285 2
29 . 1 . 1 7 7 HIS H H 1 7.511073261 0.001301986299 . . . . . . . 7 HIS H . 53285 2
30 . 1 . 1 7 7 HIS C C 13 172.9463187 0.001557379066 . . . . . . . 7 HIS C . 53285 2
31 . 1 . 1 7 7 HIS CA C 13 53.80178591 0.023767876 . . . . . . . 7 HIS CA . 53285 2
32 . 1 . 1 7 7 HIS CB C 13 34.96734557 0.00410445915 . . . . . . . 7 HIS CB . 53285 2
33 . 1 . 1 7 7 HIS N N 15 114.1660879 0.03575314501 . . . . . . . 7 HIS N . 53285 2
34 . 1 . 1 8 8 ASP H H 1 8.654330071 0.00146715815 . . . . . . . 8 ASP H . 53285 2
35 . 1 . 1 8 8 ASP C C 13 175.7626939 0.01206717015 . . . . . . . 8 ASP C . 53285 2
36 . 1 . 1 8 8 ASP CA C 13 54.94135105 0.02730003711 . . . . . . . 8 ASP CA . 53285 2
37 . 1 . 1 8 8 ASP CB C 13 41.97859057 0.07491681079 . . . . . . . 8 ASP CB . 53285 2
38 . 1 . 1 8 8 ASP N N 15 119.4604874 0.02670762824 . . . . . . . 8 ASP N . 53285 2
39 . 1 . 1 9 9 PHE H H 1 8.520657658 0.002642903494 . . . . . . . 9 PHE H . 53285 2
40 . 1 . 1 9 9 PHE C C 13 173.629337 0.004571999019 . . . . . . . 9 PHE C . 53285 2
41 . 1 . 1 9 9 PHE CA C 13 57.31125387 0.02194933619 . . . . . . . 9 PHE CA . 53285 2
42 . 1 . 1 9 9 PHE CB C 13 42.76048376 0.007453225788 . . . . . . . 9 PHE CB . 53285 2
43 . 1 . 1 9 9 PHE N N 15 121.1374348 0.04394497938 . . . . . . . 9 PHE N . 53285 2
44 . 1 . 1 10 10 SER H H 1 7.633704815 0.002345425166 . . . . . . . 10 SER H . 53285 2
45 . 1 . 1 10 10 SER C C 13 171.6597247 0.002396052014 . . . . . . . 10 SER C . 53285 2
46 . 1 . 1 10 10 SER CA C 13 55.73114962 0.01999279592 . . . . . . . 10 SER CA . 53285 2
47 . 1 . 1 10 10 SER CB C 13 63.48722356 0.01724544049 . . . . . . . 10 SER CB . 53285 2
48 . 1 . 1 10 10 SER N N 15 123.6212081 0.01735558206 . . . . . . . 10 SER N . 53285 2
49 . 1 . 1 11 11 ALA H H 1 8.26672375 0.001345277989 . . . . . . . 11 ALA H . 53285 2
50 . 1 . 1 11 11 ALA C C 13 178.4157209 0.003606942011 . . . . . . . 11 ALA C . 53285 2
51 . 1 . 1 11 11 ALA CA C 13 52.84712726 0.05640357279 . . . . . . . 11 ALA CA . 53285 2
52 . 1 . 1 11 11 ALA CB C 13 20.95956868 0.009939416208 . . . . . . . 11 ALA CB . 53285 2
53 . 1 . 1 11 11 ALA N N 15 127.5242995 0.03254585839 . . . . . . . 11 ALA N . 53285 2
54 . 1 . 1 12 12 THR H H 1 9.058208976 0.002709852601 . . . . . . . 12 THR H . 53285 2
55 . 1 . 1 12 12 THR C C 13 173.4986787 0.02333266217 . . . . . . . 12 THR C . 53285 2
56 . 1 . 1 12 12 THR CA C 13 61.97861919 0.04838851548 . . . . . . . 12 THR CA . 53285 2
57 . 1 . 1 12 12 THR CB C 13 70.15116608 0.01591194448 . . . . . . . 12 THR CB . 53285 2
58 . 1 . 1 12 12 THR N N 15 113.4994198 0.01472389387 . . . . . . . 12 THR N . 53285 2
59 . 1 . 1 13 13 ALA H H 1 7.555868101 0.001496770318 . . . . . . . 13 ALA H . 53285 2
60 . 1 . 1 13 13 ALA C C 13 178.129482 0.01567426857 . . . . . . . 13 ALA C . 53285 2
61 . 1 . 1 13 13 ALA CA C 13 50.69275383 0.01953323357 . . . . . . . 13 ALA CA . 53285 2
62 . 1 . 1 13 13 ALA CB C 13 22.33736583 0.03509902099 . . . . . . . 13 ALA CB . 53285 2
63 . 1 . 1 13 13 ALA N N 15 123.9731117 0.0178596021 . . . . . . . 13 ALA N . 53285 2
64 . 1 . 1 14 14 ASP H H 1 8.645674163 0.002125180475 . . . . . . . 14 ASP H . 53285 2
65 . 1 . 1 14 14 ASP C C 13 176.0886425 0.006132249252 . . . . . . . 14 ASP C . 53285 2
66 . 1 . 1 14 14 ASP CA C 13 56.75946838 0.03089665625 . . . . . . . 14 ASP CA . 53285 2
67 . 1 . 1 14 14 ASP CB C 13 40.87309021 0.005502464076 . . . . . . . 14 ASP CB . 53285 2
68 . 1 . 1 14 14 ASP N N 15 119.1653721 0.03404861164 . . . . . . . 14 ASP N . 53285 2
69 . 1 . 1 15 15 ASP H H 1 8.363103426 0.002560767055 . . . . . . . 15 ASP H . 53285 2
70 . 1 . 1 15 15 ASP C C 13 176.1987835 0.01076754458 . . . . . . . 15 ASP C . 53285 2
71 . 1 . 1 15 15 ASP CA C 13 53.37469398 0.01798001139 . . . . . . . 15 ASP CA . 53285 2
72 . 1 . 1 15 15 ASP CB C 13 40.19515014 0.0226526073 . . . . . . . 15 ASP CB . 53285 2
73 . 1 . 1 15 15 ASP N N 15 114.6053486 0.01374986185 . . . . . . . 15 ASP N . 53285 2
74 . 1 . 1 16 16 GLU H H 1 7.392839414 0.002229948783 . . . . . . . 16 GLU H . 53285 2
75 . 1 . 1 16 16 GLU C C 13 175.1552938 0.00499271048 . . . . . . . 16 GLU C . 53285 2
76 . 1 . 1 16 16 GLU CA C 13 55.26711779 0.02177788152 . . . . . . . 16 GLU CA . 53285 2
77 . 1 . 1 16 16 GLU CB C 13 32.95066533 0.009600887954 . . . . . . . 16 GLU CB . 53285 2
78 . 1 . 1 16 16 GLU N N 15 119.252739 0.01780351633 . . . . . . . 16 GLU N . 53285 2
79 . 1 . 1 17 17 LEU H H 1 8.46620233 0.003014005707 . . . . . . . 17 LEU H . 53285 2
80 . 1 . 1 17 17 LEU C C 13 174.3777909 0.005341250173 . . . . . . . 17 LEU C . 53285 2
81 . 1 . 1 17 17 LEU CA C 13 53.59499072 0.01595125325 . . . . . . . 17 LEU CA . 53285 2
82 . 1 . 1 17 17 LEU CB C 13 45.49039528 0.0007088880011 . . . . . . . 17 LEU CB . 53285 2
83 . 1 . 1 17 17 LEU N N 15 124.6524983 0.02445669472 . . . . . . . 17 LEU N . 53285 2
84 . 1 . 1 18 18 SER H H 1 7.923033468 0.001894237496 . . . . . . . 18 SER H . 53285 2
85 . 1 . 1 18 18 SER C C 13 173.8372693 0.005286557642 . . . . . . . 18 SER C . 53285 2
86 . 1 . 1 18 18 SER CA C 13 58.99569697 0.0464856943 . . . . . . . 18 SER CA . 53285 2
87 . 1 . 1 18 18 SER CB C 13 64.61538972 0.04104550729 . . . . . . . 18 SER CB . 53285 2
88 . 1 . 1 18 18 SER N N 15 117.787766 0.02385587067 . . . . . . . 18 SER N . 53285 2
89 . 1 . 1 19 19 PHE H H 1 8.659968894 0.002061039735 . . . . . . . 19 PHE H . 53285 2
90 . 1 . 1 19 19 PHE C C 13 173.8840111 0.005679246419 . . . . . . . 19 PHE C . 53285 2
91 . 1 . 1 19 19 PHE CA C 13 56.86126123 0.01497593368 . . . . . . . 19 PHE CA . 53285 2
92 . 1 . 1 19 19 PHE CB C 13 40.64613761 0.01313298434 . . . . . . . 19 PHE CB . 53285 2
93 . 1 . 1 19 19 PHE N N 15 114.6349957 0.02997661279 . . . . . . . 19 PHE N . 53285 2
94 . 1 . 1 20 20 ARG H H 1 9.386670168 0.002531544713 . . . . . . . 20 ARG H . 53285 2
95 . 1 . 1 20 20 ARG C C 13 175.8210713 0.01436762984 . . . . . . . 20 ARG C . 53285 2
96 . 1 . 1 20 20 ARG CA C 13 53.1224831 0.01653105907 . . . . . . . 20 ARG CA . 53285 2
97 . 1 . 1 20 20 ARG CB C 13 33.14296337 0.03834489651 . . . . . . . 20 ARG CB . 53285 2
98 . 1 . 1 20 20 ARG N N 15 119.2401175 0.01722712111 . . . . . . . 20 ARG N . 53285 2
99 . 1 . 1 21 21 LYS H H 1 9.233385584 0.00173336178 . . . . . . . 21 LYS H . 53285 2
100 . 1 . 1 21 21 LYS C C 13 177.3106188 0.01064790712 . . . . . . . 21 LYS C . 53285 2
101 . 1 . 1 21 21 LYS CA C 13 58.20513959 0.03016176231 . . . . . . . 21 LYS CA . 53285 2
102 . 1 . 1 21 21 LYS CB C 13 33.24735961 0.05036336934 . . . . . . . 21 LYS CB . 53285 2
103 . 1 . 1 21 21 LYS N N 15 120.5366788 0.01668052535 . . . . . . . 21 LYS N . 53285 2
104 . 1 . 1 22 22 THR H H 1 8.812566841 0.001759670814 . . . . . . . 22 THR H . 53285 2
105 . 1 . 1 22 22 THR C C 13 173.5130123 0.002043628601 . . . . . . . 22 THR C . 53285 2
106 . 1 . 1 22 22 THR CA C 13 66.60189741 0.01049642608 . . . . . . . 22 THR CA . 53285 2
107 . 1 . 1 22 22 THR CB C 13 69.33710672 0.0158760318 . . . . . . . 22 THR CB . 53285 2
108 . 1 . 1 22 22 THR N N 15 117.1397932 0.01667111076 . . . . . . . 22 THR N . 53285 2
109 . 1 . 1 23 23 GLN H H 1 8.1732734 0.001539135674 . . . . . . . 23 GLN H . 53285 2
110 . 1 . 1 23 23 GLN C C 13 174.2285919 0.00642004625 . . . . . . . 23 GLN C . 53285 2
111 . 1 . 1 23 23 GLN CA C 13 58.92312933 0.03877983576 . . . . . . . 23 GLN CA . 53285 2
112 . 1 . 1 23 23 GLN CB C 13 30.33764479 0.02558833627 . . . . . . . 23 GLN CB . 53285 2
113 . 1 . 1 23 23 GLN N N 15 120.5505306 0.008128119595 . . . . . . . 23 GLN N . 53285 2
114 . 1 . 1 24 24 ILE H H 1 8.209142931 0.002777263822 . . . . . . . 24 ILE H . 53285 2
115 . 1 . 1 24 24 ILE C C 13 175.7312761 0.01645034513 . . . . . . . 24 ILE C . 53285 2
116 . 1 . 1 24 24 ILE CA C 13 59.59395849 0.1131392244 . . . . . . . 24 ILE CA . 53285 2
117 . 1 . 1 24 24 ILE CB C 13 37.82949709 0.04313990374 . . . . . . . 24 ILE CB . 53285 2
118 . 1 . 1 24 24 ILE N N 15 120.4569872 0.008094065344 . . . . . . . 24 ILE N . 53285 2
119 . 1 . 1 25 25 LEU H H 1 9.053682797 0.002574576853 . . . . . . . 25 LEU H . 53285 2
120 . 1 . 1 25 25 LEU C C 13 175.5486611 0.03689510394 . . . . . . . 25 LEU C . 53285 2
121 . 1 . 1 25 25 LEU CA C 13 53.96154862 0.01352368271 . . . . . . . 25 LEU CA . 53285 2
122 . 1 . 1 25 25 LEU CB C 13 44.73793054 0.04158130139 . . . . . . . 25 LEU CB . 53285 2
123 . 1 . 1 25 25 LEU N N 15 127.7700277 0.0216087084 . . . . . . . 25 LEU N . 53285 2
124 . 1 . 1 26 26 LYS H H 1 8.272346326 0.002579417623 . . . . . . . 26 LYS H . 53285 2
125 . 1 . 1 26 26 LYS C C 13 175.9695342 0.007519429225 . . . . . . . 26 LYS C . 53285 2
126 . 1 . 1 26 26 LYS CA C 13 55.52972272 0.01301298556 . . . . . . . 26 LYS CA . 53285 2
127 . 1 . 1 26 26 LYS CB C 13 33.16656034 0.01091822971 . . . . . . . 26 LYS CB . 53285 2
128 . 1 . 1 26 26 LYS N N 15 122.013967 0.02072032511 . . . . . . . 26 LYS N . 53285 2
129 . 1 . 1 27 27 ILE H H 1 8.526119966 0.002421297886 . . . . . . . 27 ILE H . 53285 2
130 . 1 . 1 27 27 ILE C C 13 175.5808096 0.01267304367 . . . . . . . 27 ILE C . 53285 2
131 . 1 . 1 27 27 ILE CA C 13 59.1632453 0.04580581482 . . . . . . . 27 ILE CA . 53285 2
132 . 1 . 1 27 27 ILE CB C 13 35.50943997 0.005593622057 . . . . . . . 27 ILE CB . 53285 2
133 . 1 . 1 27 27 ILE N N 15 124.7432175 0.02497395336 . . . . . . . 27 ILE N . 53285 2
134 . 1 . 1 28 28 LEU H H 1 9.198039343 0.002688953175 . . . . . . . 28 LEU H . 53285 2
135 . 1 . 1 28 28 LEU C C 13 177.2815501 0.02254820257 . . . . . . . 28 LEU C . 53285 2
136 . 1 . 1 28 28 LEU CA C 13 55.53700108 0.008598975119 . . . . . . . 28 LEU CA . 53285 2
137 . 1 . 1 28 28 LEU CB C 13 42.73621808 0.05984702918 . . . . . . . 28 LEU CB . 53285 2
138 . 1 . 1 28 28 LEU N N 15 128.4480211 0.04005439581 . . . . . . . 28 LEU N . 53285 2
139 . 1 . 1 29 29 ASN H H 1 7.612774664 0.00188434809 . . . . . . . 29 ASN H . 53285 2
140 . 1 . 1 29 29 ASN C C 13 173.7307029 0.001311150629 . . . . . . . 29 ASN C . 53285 2
141 . 1 . 1 29 29 ASN CA C 13 54.15144823 0.05435045195 . . . . . . . 29 ASN CA . 53285 2
142 . 1 . 1 29 29 ASN CB C 13 41.26547769 0.01610859788 . . . . . . . 29 ASN CB . 53285 2
143 . 1 . 1 29 29 ASN N N 15 113.8457747 0.03213894555 . . . . . . . 29 ASN N . 53285 2
144 . 1 . 1 30 30 MET H H 1 8.915420833 0.002652219026 . . . . . . . 30 MET H . 53285 2
145 . 1 . 1 30 30 MET C C 13 174.6468468 0.001534561251 . . . . . . . 30 MET C . 53285 2
146 . 1 . 1 30 30 MET CA C 13 55.1517132 0.03048312242 . . . . . . . 30 MET CA . 53285 2
147 . 1 . 1 30 30 MET CB C 13 33.234036 0.01332689953 . . . . . . . 30 MET CB . 53285 2
148 . 1 . 1 30 30 MET N N 15 123.7471348 0.02478315389 . . . . . . . 30 MET N . 53285 2
149 . 1 . 1 31 31 GLU H H 1 8.125168327 0.001732601196 . . . . . . . 31 GLU H . 53285 2
150 . 1 . 1 31 31 GLU C C 13 176.7322708 0.003929148831 . . . . . . . 31 GLU C . 53285 2
151 . 1 . 1 31 31 GLU CA C 13 56.61985437 0.008264802105 . . . . . . . 31 GLU CA . 53285 2
152 . 1 . 1 31 31 GLU CB C 13 31.32614995 0.007838748284 . . . . . . . 31 GLU CB . 53285 2
153 . 1 . 1 31 31 GLU N N 15 120.9734258 0.02227257085 . . . . . . . 31 GLU N . 53285 2
154 . 1 . 1 32 32 ASP H H 1 8.377292197 0.001734773816 . . . . . . . 32 ASP H . 53285 2
155 . 1 . 1 32 32 ASP C C 13 176.3826006 0.008838197707 . . . . . . . 32 ASP C . 53285 2
156 . 1 . 1 32 32 ASP CA C 13 56.57977422 0.008510285667 . . . . . . . 32 ASP CA . 53285 2
157 . 1 . 1 32 32 ASP CB C 13 41.07745701 0.02662440148 . . . . . . . 32 ASP CB . 53285 2
158 . 1 . 1 32 32 ASP N N 15 120.9510935 0.02351210136 . . . . . . . 32 ASP N . 53285 2
159 . 1 . 1 33 33 ASP H H 1 8.212130383 0.002157930797 . . . . . . . 33 ASP H . 53285 2
160 . 1 . 1 33 33 ASP C C 13 175.4443945 0.000428568123 . . . . . . . 33 ASP C . 53285 2
161 . 1 . 1 33 33 ASP CA C 13 54.09822403 0.03255394069 . . . . . . . 33 ASP CA . 53285 2
162 . 1 . 1 33 33 ASP CB C 13 42.5213168 0.02400578792 . . . . . . . 33 ASP CB . 53285 2
163 . 1 . 1 33 33 ASP N N 15 118.7935369 0.02743583019 . . . . . . . 33 ASP N . 53285 2
164 . 1 . 1 34 34 SER H H 1 8.259613294 0.003444193032 . . . . . . . 34 SER H . 53285 2
165 . 1 . 1 34 34 SER C C 13 174.9372741 0.02112755436 . . . . . . . 34 SER C . 53285 2
166 . 1 . 1 34 34 SER CA C 13 59.45129103 0.03754220111 . . . . . . . 34 SER CA . 53285 2
167 . 1 . 1 34 34 SER CB C 13 64.0870601 0.04780074839 . . . . . . . 34 SER CB . 53285 2
168 . 1 . 1 34 34 SER N N 15 116.0879956 0.03617229743 . . . . . . . 34 SER N . 53285 2
169 . 1 . 1 35 35 ASN H H 1 8.981022113 0.004545573603 . . . . . . . 35 ASN H . 53285 2
170 . 1 . 1 35 35 ASN C C 13 174.7009051 0.001319918329 . . . . . . . 35 ASN C . 53285 2
171 . 1 . 1 35 35 ASN CA C 13 54.09459267 0.03674156915 . . . . . . . 35 ASN CA . 53285 2
172 . 1 . 1 35 35 ASN CB C 13 39.812021 0.01888207271 . . . . . . . 35 ASN CB . 53285 2
173 . 1 . 1 35 35 ASN N N 15 119.1897905 0.04757449021 . . . . . . . 35 ASN N . 53285 2
174 . 1 . 1 36 36 TRP H H 1 8.005204238 0.002174460729 . . . . . . . 36 TRP H . 53285 2
175 . 1 . 1 36 36 TRP HE1 H 1 10.22612785 0 . . . . . . . 36 TRP HE1 . 53285 2
176 . 1 . 1 36 36 TRP C C 13 174.8474142 0.003955987745 . . . . . . . 36 TRP C . 53285 2
177 . 1 . 1 36 36 TRP CA C 13 56.14673646 0.01697807108 . . . . . . . 36 TRP CA . 53285 2
178 . 1 . 1 36 36 TRP CB C 13 31.56203184 0.0146810319 . . . . . . . 36 TRP CB . 53285 2
179 . 1 . 1 36 36 TRP N N 15 121.6339317 0.00783689458 . . . . . . . 36 TRP N . 53285 2
180 . 1 . 1 36 36 TRP NE1 N 15 129.0603474 0 . . . . . . . 36 TRP NE1 . 53285 2
181 . 1 . 1 37 37 TYR H H 1 8.933440371 0.002972134269 . . . . . . . 37 TYR H . 53285 2
182 . 1 . 1 37 37 TYR C C 13 175.4252399 0.003348677409 . . . . . . . 37 TYR C . 53285 2
183 . 1 . 1 37 37 TYR CA C 13 52.89040054 0.04939929649 . . . . . . . 37 TYR CA . 53285 2
184 . 1 . 1 37 37 TYR CB C 13 39.70444508 0.03211775079 . . . . . . . 37 TYR CB . 53285 2
185 . 1 . 1 37 37 TYR N N 15 120.6646352 0.04120727625 . . . . . . . 37 TYR N . 53285 2
186 . 1 . 1 38 38 ARG H H 1 8.729032367 0.001860997944 . . . . . . . 38 ARG H . 53285 2
187 . 1 . 1 38 38 ARG C C 13 175.2041066 0.01041908705 . . . . . . . 38 ARG C . 53285 2
188 . 1 . 1 38 38 ARG CA C 13 56.46642301 0.03421731934 . . . . . . . 38 ARG CA . 53285 2
189 . 1 . 1 38 38 ARG CB C 13 31.48808052 0.03271390856 . . . . . . . 38 ARG CB . 53285 2
190 . 1 . 1 38 38 ARG N N 15 121.4473231 0.02170841634 . . . . . . . 38 ARG N . 53285 2
191 . 1 . 1 39 39 ALA H H 1 9.560853603 0.001778659691 . . . . . . . 39 ALA H . 53285 2
192 . 1 . 1 39 39 ALA C C 13 173.3410868 0.008976040421 . . . . . . . 39 ALA C . 53285 2
193 . 1 . 1 39 39 ALA CA C 13 50.83778123 0.04499830259 . . . . . . . 39 ALA CA . 53285 2
194 . 1 . 1 39 39 ALA CB C 13 26.11253727 0.005554584169 . . . . . . . 39 ALA CB . 53285 2
195 . 1 . 1 39 39 ALA N N 15 131.5445201 0.02326580352 . . . . . . . 39 ALA N . 53285 2
196 . 1 . 1 40 40 GLU H H 1 8.944696129 0.001780387898 . . . . . . . 40 GLU H . 53285 2
197 . 1 . 1 40 40 GLU C C 13 174.7863025 0.004024389455 . . . . . . . 40 GLU C . 53285 2
198 . 1 . 1 40 40 GLU CA C 13 54.52487065 0.002191679695 . . . . . . . 40 GLU CA . 53285 2
199 . 1 . 1 40 40 GLU CB C 13 34.19476666 0.0341827854 . . . . . . . 40 GLU CB . 53285 2
200 . 1 . 1 40 40 GLU N N 15 118.3920093 0.02556813118 . . . . . . . 40 GLU N . 53285 2
201 . 1 . 1 41 41 LEU H H 1 8.918369341 0.002387443719 . . . . . . . 41 LEU H . 53285 2
202 . 1 . 1 41 41 LEU C C 13 175.8838887 0.002451195314 . . . . . . . 41 LEU C . 53285 2
203 . 1 . 1 41 41 LEU CA C 13 54.77953709 0.08089799721 . . . . . . . 41 LEU CA . 53285 2
204 . 1 . 1 41 41 LEU CB C 13 45.93909965 0.01217783334 . . . . . . . 41 LEU CB . 53285 2
205 . 1 . 1 41 41 LEU N N 15 125.9092028 0.02543505334 . . . . . . . 41 LEU N . 53285 2
206 . 1 . 1 42 42 ASP H H 1 9.642841432 0.001763228583 . . . . . . . 42 ASP H . 53285 2
207 . 1 . 1 42 42 ASP C C 13 175.7247547 0.007435392249 . . . . . . . 42 ASP C . 53285 2
208 . 1 . 1 42 42 ASP CA C 13 55.51437143 0.1563077055 . . . . . . . 42 ASP CA . 53285 2
209 . 1 . 1 42 42 ASP CB C 13 39.98813597 0.03398629191 . . . . . . . 42 ASP CB . 53285 2
210 . 1 . 1 42 42 ASP N N 15 129.5261434 0.01255729376 . . . . . . . 42 ASP N . 53285 2
211 . 1 . 1 43 43 GLY H H 1 9.149746536 0.00240898084 . . . . . . . 43 GLY H . 53285 2
212 . 1 . 1 43 43 GLY C C 13 173.7952229 0.003891940095 . . . . . . . 43 GLY C . 53285 2
213 . 1 . 1 43 43 GLY CA C 13 45.54737786 0.03606560606 . . . . . . . 43 GLY CA . 53285 2
214 . 1 . 1 43 43 GLY N N 15 104.6096582 0.01976079742 . . . . . . . 43 GLY N . 53285 2
215 . 1 . 1 44 44 LYS H H 1 7.927503035 0.001799102388 . . . . . . . 44 LYS H . 53285 2
216 . 1 . 1 44 44 LYS C C 13 174.0791642 0.00783268804 . . . . . . . 44 LYS C . 53285 2
217 . 1 . 1 44 44 LYS CA C 13 54.92210814 0.0224010995 . . . . . . . 44 LYS CA . 53285 2
218 . 1 . 1 44 44 LYS CB C 13 34.64858097 0.01066523249 . . . . . . . 44 LYS CB . 53285 2
219 . 1 . 1 44 44 LYS N N 15 122.2960774 0.00681419112 . . . . . . . 44 LYS N . 53285 2
220 . 1 . 1 45 45 GLU H H 1 8.473809675 0.00187153509 . . . . . . . 45 GLU H . 53285 2
221 . 1 . 1 45 45 GLU C C 13 176.8932088 0.002558048212 . . . . . . . 45 GLU C . 53285 2
222 . 1 . 1 45 45 GLU CA C 13 53.88144208 0.0266626668 . . . . . . . 45 GLU CA . 53285 2
223 . 1 . 1 45 45 GLU CB C 13 33.90221425 0.01783758919 . . . . . . . 45 GLU CB . 53285 2
224 . 1 . 1 45 45 GLU N N 15 120.4939053 0.01240832327 . . . . . . . 45 GLU N . 53285 2
225 . 1 . 1 46 46 GLY H H 1 8.818314771 0.001671224851 . . . . . . . 46 GLY H . 53285 2
226 . 1 . 1 46 46 GLY C C 13 170.7193272 0.0100316466 . . . . . . . 46 GLY C . 53285 2
227 . 1 . 1 46 46 GLY CA C 13 45.55688203 0.03462316995 . . . . . . . 46 GLY CA . 53285 2
228 . 1 . 1 46 46 GLY N N 15 107.8765489 0.02305607939 . . . . . . . 46 GLY N . 53285 2
229 . 1 . 1 47 47 LEU H H 1 9.254882162 0.003134777673 . . . . . . . 47 LEU H . 53285 2
230 . 1 . 1 47 47 LEU C C 13 177.576032 0.01118925816 . . . . . . . 47 LEU C . 53285 2
231 . 1 . 1 47 47 LEU CA C 13 54.62452701 0.05520989934 . . . . . . . 47 LEU CA . 53285 2
232 . 1 . 1 47 47 LEU CB C 13 44.64800325 0.05605955151 . . . . . . . 47 LEU CB . 53285 2
233 . 1 . 1 47 47 LEU N N 15 120.463304 0.0140731993 . . . . . . . 47 LEU N . 53285 2
234 . 1 . 1 48 48 ILE H H 1 9.385634096 0.002481494531 . . . . . . . 48 ILE H . 53285 2
235 . 1 . 1 48 48 ILE C C 13 172.3619291 0 . . . . . . . 48 ILE C . 53285 2
236 . 1 . 1 48 48 ILE CA C 13 56.67812025 0 . . . . . . . 48 ILE CA . 53285 2
237 . 1 . 1 48 48 ILE CB C 13 41.05548482 0 . . . . . . . 48 ILE CB . 53285 2
238 . 1 . 1 48 48 ILE N N 15 112.6168851 0.04417686086 . . . . . . . 48 ILE N . 53285 2
239 . 1 . 1 49 49 PRO C C 13 178.7877208 0.002437099741 . . . . . . . 49 PRO C . 53285 2
240 . 1 . 1 49 49 PRO CA C 13 60.75339675 0 . . . . . . . 49 PRO CA . 53285 2
241 . 1 . 1 49 49 PRO CB C 13 30.03368485 0.04233214807 . . . . . . . 49 PRO CB . 53285 2
242 . 1 . 1 50 50 SER H H 1 7.864708954 0.00174134241 . . . . . . . 50 SER H . 53285 2
243 . 1 . 1 50 50 SER C C 13 175.028162 0 . . . . . . . 50 SER C . 53285 2
244 . 1 . 1 50 50 SER CA C 13 60.41643379 0.08515571544 . . . . . . . 50 SER CA . 53285 2
245 . 1 . 1 50 50 SER CB C 13 62.47877471 0.03121732925 . . . . . . . 50 SER CB . 53285 2
246 . 1 . 1 50 50 SER N N 15 119.7498152 0.010997746 . . . . . . . 50 SER N . 53285 2
247 . 1 . 1 51 51 ASN H H 1 8.40287156 0.001302294004 . . . . . . . 51 ASN H . 53285 2
248 . 1 . 1 51 51 ASN C C 13 175.681856 0.005455115124 . . . . . . . 51 ASN C . 53285 2
249 . 1 . 1 51 51 ASN CA C 13 53.67380615 0.03383548261 . . . . . . . 51 ASN CA . 53285 2
250 . 1 . 1 51 51 ASN CB C 13 36.40501237 0.005593325456 . . . . . . . 51 ASN CB . 53285 2
251 . 1 . 1 51 51 ASN N N 15 115.2277112 0.01656594234 . . . . . . . 51 ASN N . 53285 2
252 . 1 . 1 52 52 TYR H H 1 7.704041127 0.002972446431 . . . . . . . 52 TYR H . 53285 2
253 . 1 . 1 52 52 TYR C C 13 174.8869241 0.01179276811 . . . . . . . 52 TYR C . 53285 2
254 . 1 . 1 52 52 TYR CA C 13 58.45920957 0.02644060634 . . . . . . . 52 TYR CA . 53285 2
255 . 1 . 1 52 52 TYR CB C 13 39.0426799 0.01480685429 . . . . . . . 52 TYR CB . 53285 2
256 . 1 . 1 52 52 TYR N N 15 118.9073617 0.04124725725 . . . . . . . 52 TYR N . 53285 2
257 . 1 . 1 53 53 ILE H H 1 7.212874851 0.002485842977 . . . . . . . 53 ILE H . 53285 2
258 . 1 . 1 53 53 ILE C C 13 173.7880269 0.00665001197 . . . . . . . 53 ILE C . 53285 2
259 . 1 . 1 53 53 ILE CA C 13 58.59511738 0.01609762277 . . . . . . . 53 ILE CA . 53285 2
260 . 1 . 1 53 53 ILE CB C 13 41.99619745 0.0151509855 . . . . . . . 53 ILE CB . 53285 2
261 . 1 . 1 53 53 ILE N N 15 110.6025629 0.02573154448 . . . . . . . 53 ILE N . 53285 2
262 . 1 . 1 54 54 GLU H H 1 8.736360648 0.002031954197 . . . . . . . 54 GLU H . 53285 2
263 . 1 . 1 54 54 GLU C C 13 175.6963993 0.004114731035 . . . . . . . 54 GLU C . 53285 2
264 . 1 . 1 54 54 GLU CA C 13 54.45195367 0.05574960195 . . . . . . . 54 GLU CA . 53285 2
265 . 1 . 1 54 54 GLU CB C 13 33.14774263 0.004741281087 . . . . . . . 54 GLU CB . 53285 2
266 . 1 . 1 54 54 GLU N N 15 120.2151299 0.01734565362 . . . . . . . 54 GLU N . 53285 2
267 . 1 . 1 55 55 MET H H 1 9.05030403 0.001171691164 . . . . . . . 55 MET H . 53285 2
268 . 1 . 1 55 55 MET C C 13 176.5541926 0.002618113748 . . . . . . . 55 MET C . 53285 2
269 . 1 . 1 55 55 MET CA C 13 55.24997707 0.0245229681 . . . . . . . 55 MET CA . 53285 2
270 . 1 . 1 55 55 MET CB C 13 31.66802753 0.01820393701 . . . . . . . 55 MET CB . 53285 2
271 . 1 . 1 55 55 MET N N 15 125.1459535 0.03966065774 . . . . . . . 55 MET N . 53285 2
272 . 1 . 1 56 56 LYS H H 1 8.660242215 0.00178866602 . . . . . . . 56 LYS H . 53285 2
273 . 1 . 1 56 56 LYS C C 13 175.9062327 0.02575100433 . . . . . . . 56 LYS C . 53285 2
274 . 1 . 1 56 56 LYS CA C 13 56.26416952 0.05555203837 . . . . . . . 56 LYS CA . 53285 2
275 . 1 . 1 56 56 LYS CB C 13 33.19931819 0.09429185098 . . . . . . . 56 LYS CB . 53285 2
276 . 1 . 1 56 56 LYS N N 15 123.62809 0.01223861906 . . . . . . . 56 LYS N . 53285 2
277 . 1 . 1 57 57 ASN H H 1 8.516148132 0.003065712971 . . . . . . . 57 ASN H . 53285 2
278 . 1 . 1 57 57 ASN C C 13 174.4804081 0.004326795044 . . . . . . . 57 ASN C . 53285 2
279 . 1 . 1 57 57 ASN CA C 13 53.25292194 0.05205464654 . . . . . . . 57 ASN CA . 53285 2
280 . 1 . 1 57 57 ASN CB C 13 39.32866054 0.004532781044 . . . . . . . 57 ASN CB . 53285 2
281 . 1 . 1 57 57 ASN N N 15 120.3295859 0.06974391048 . . . . . . . 57 ASN N . 53285 2
282 . 1 . 1 58 58 HIS H H 1 8.275902538 0.00463778177 . . . . . . . 58 HIS H . 53285 2
283 . 1 . 1 58 58 HIS C C 13 173.7602943 0.009086193697 . . . . . . . 58 HIS C . 53285 2
284 . 1 . 1 58 58 HIS CA C 13 55.63952933 0.0245816642 . . . . . . . 58 HIS CA . 53285 2
285 . 1 . 1 58 58 HIS CB C 13 30.51093743 0.01293645121 . . . . . . . 58 HIS CB . 53285 2
286 . 1 . 1 58 58 HIS N N 15 118.9891632 0.04540614385 . . . . . . . 58 HIS N . 53285 2
287 . 1 . 1 59 59 ASP H H 1 8.191122827 0.001295271941 . . . . . . . 59 ASP H . 53285 2
288 . 1 . 1 59 59 ASP C C 13 180.8945879 0 . . . . . . . 59 ASP C . 53285 2
289 . 1 . 1 59 59 ASP CA C 13 56.03503724 0 . . . . . . . 59 ASP CA . 53285 2
290 . 1 . 1 59 59 ASP CB C 13 42.13361651 0 . . . . . . . 59 ASP CB . 53285 2
291 . 1 . 1 59 59 ASP N N 15 126.7469416 0.02042943122 . . . . . . . 59 ASP N . 53285 2
stop_
save_