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 52530
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name ChemicalShiftList1
_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' . . . 52530 1
2 '3D HNCO' . . . 52530 1
3 '3D HNCACB' . . . 52530 1
4 '3D HN(CO)CACB' . . . 52530 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 . . 52530 1
2 $software_2 . . 52530 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 GLU C C 13 173.2492122 . . . . . . . . 2 GLU C . 52530 1
2 . 1 . 1 2 2 GLU CA C 13 53.42075996 . . . . . . . . 2 GLU CA . 52530 1
3 . 1 . 1 2 2 GLU CB C 13 27.53436334 . . . . . . . . 2 GLU CB . 52530 1
4 . 1 . 1 3 3 SER H H 1 8.441095193 0.001683667373 . . . . . . . 3 SER HN . 52530 1
5 . 1 . 1 3 3 SER C C 13 171.6387325 . . . . . . . . 3 SER C . 52530 1
6 . 1 . 1 3 3 SER CA C 13 57.19157381 2.577099646 . . . . . . . 3 SER CA . 52530 1
7 . 1 . 1 3 3 SER CB C 13 60.93209093 . . . . . . . . 3 SER CB . 52530 1
8 . 1 . 1 3 3 SER N N 15 118.1442775 0.0000013 . . . . . . . 3 SER N . 52530 1
9 . 1 . 1 4 4 LYS H H 1 8.360152363 0.001782829495 . . . . . . . 4 LYS HN . 52530 1
10 . 1 . 1 4 4 LYS CA C 13 53.41460238 0.02727828071 . . . . . . . 4 LYS CA . 52530 1
11 . 1 . 1 4 4 LYS CB C 13 29.23040581 1.256091985 . . . . . . . 4 LYS CB . 52530 1
12 . 1 . 1 4 4 LYS N N 15 123.7520574 0.000002697 . . . . . . . 4 LYS N . 52530 1
13 . 1 . 1 5 5 SER H H 1 8.262727465 0.0004662235385 . . . . . . . 5 SER HN . 52530 1
14 . 1 . 1 5 5 SER C C 13 171.7061238 . . . . . . . . 5 SER C . 52530 1
15 . 1 . 1 5 5 SER CA C 13 55.55093672 0.07523692399 . . . . . . . 5 SER CA . 52530 1
16 . 1 . 1 5 5 SER CB C 13 60.91774485 0.005173895388 . . . . . . . 5 SER CB . 52530 1
17 . 1 . 1 5 5 SER N N 15 117.2519073 0.000185332072 . . . . . . . 5 SER N . 52530 1
18 . 1 . 1 6 6 SER H H 1 8.268893278 0.006026652888 . . . . . . . 6 SER HN . 52530 1
19 . 1 . 1 6 6 SER C C 13 171.8445128 . . . . . . . . 6 SER C . 52530 1
20 . 1 . 1 6 6 SER CA C 13 55.80202413 0.001889832774 . . . . . . . 6 SER CA . 52530 1
21 . 1 . 1 6 6 SER CB C 13 61.15227932 0.0009486574298 . . . . . . . 6 SER CB . 52530 1
22 . 1 . 1 6 6 SER N N 15 117.9480354 0.0004144699739 . . . . . . . 6 SER N . 52530 1
23 . 1 . 1 7 7 SER H H 1 8.261042179 0.002261101985 . . . . . . . 7 SER HN . 52530 1
24 . 1 . 1 7 7 SER C C 13 172.0732302 . . . . . . . . 7 SER C . 52530 1
25 . 1 . 1 7 7 SER CA C 13 55.47490144 . . . . . . . . 7 SER CA . 52530 1
26 . 1 . 1 7 7 SER CB C 13 60.83224009 0.006075205713 . . . . . . . 7 SER CB . 52530 1
27 . 1 . 1 7 7 SER N N 15 117.8259532 0.000046798 . . . . . . . 7 SER N . 52530 1
28 . 1 . 1 8 8 THR H H 1 8.025039764 0.001615815331 . . . . . . . 8 THR HN . 52530 1
29 . 1 . 1 8 8 THR C C 13 171.4495977 . . . . . . . . 8 THR C . 52530 1
30 . 1 . 1 8 8 THR CA C 13 59.08181517 0.03734982194 . . . . . . . 8 THR CA . 52530 1
31 . 1 . 1 8 8 THR CB C 13 66.66677645 0.0345071144 . . . . . . . 8 THR CB . 52530 1
32 . 1 . 1 8 8 THR N N 15 115.2077575 0 . . . . . . . 8 THR N . 52530 1
33 . 1 . 1 9 9 ASP H H 1 8.06576204 0.00156287048 . . . . . . . 9 ASP HN . 52530 1
34 . 1 . 1 9 9 ASP C C 13 173.1867474 . . . . . . . . 9 ASP C . 52530 1
35 . 1 . 1 9 9 ASP CA C 13 51.49974559 0.04964049431 . . . . . . . 9 ASP CA . 52530 1
36 . 1 . 1 9 9 ASP CB C 13 38.14368486 0.0545169887 . . . . . . . 9 ASP CB . 52530 1
37 . 1 . 1 9 9 ASP N N 15 122.5140665 0.000002336 . . . . . . . 9 ASP N . 52530 1
38 . 1 . 1 10 10 ASN H H 1 8.29578989 0.001439391874 . . . . . . . 10 ASN HN . 52530 1
39 . 1 . 1 10 10 ASN HD21 H 1 7.409992484 0.0006736782115 . . . . . . . 10 ASN HD21 . 52530 1
40 . 1 . 1 10 10 ASN HD22 H 1 6.702381661 0.002459247779 . . . . . . . 10 ASN HD22 . 52530 1
41 . 1 . 1 10 10 ASN C C 13 172.7541073 . . . . . . . . 10 ASN C . 52530 1
42 . 1 . 1 10 10 ASN CA C 13 50.4079425 0.01601971543 . . . . . . . 10 ASN CA . 52530 1
43 . 1 . 1 10 10 ASN CB C 13 35.77620793 0.01957593669 . . . . . . . 10 ASN CB . 52530 1
44 . 1 . 1 10 10 ASN N N 15 119.9694766 0.0000013 . . . . . . . 10 ASN N . 52530 1
45 . 1 . 1 10 10 ASN ND2 N 15 112.7722742 0.0001306011625 . . . . . . . 10 ASN ND2 . 52530 1
46 . 1 . 1 11 11 THR H H 1 8.015815954 0.001783174528 . . . . . . . 11 THR HN . 52530 1
47 . 1 . 1 11 11 THR C C 13 171.5356075 . . . . . . . . 11 THR C . 52530 1
48 . 1 . 1 11 11 THR CA C 13 59.40619904 0.05949449283 . . . . . . . 11 THR CA . 52530 1
49 . 1 . 1 11 11 THR CB C 13 66.74754906 0.04327205987 . . . . . . . 11 THR CB . 52530 1
50 . 1 . 1 11 11 THR N N 15 114.2032294 0 . . . . . . . 11 THR N . 52530 1
51 . 1 . 1 12 12 ALA H H 1 8.070225119 0.001461985604 . . . . . . . 12 ALA HN . 52530 1
52 . 1 . 1 12 12 ALA C C 13 174.7057243 . . . . . . . . 12 ALA C . 52530 1
53 . 1 . 1 12 12 ALA CA C 13 49.52233946 0.02759002481 . . . . . . . 12 ALA CA . 52530 1
54 . 1 . 1 12 12 ALA CB C 13 16.33483067 0.0008817450463 . . . . . . . 12 ALA CB . 52530 1
55 . 1 . 1 12 12 ALA N N 15 126.3437181 0.0000019 . . . . . . . 12 ALA N . 52530 1
56 . 1 . 1 13 13 THR H H 1 8.012581777 0.001730955702 . . . . . . . 13 THR HN . 52530 1
57 . 1 . 1 13 13 THR CA C 13 57.00965892 . . . . . . . . 13 THR CA . 52530 1
58 . 1 . 1 13 13 THR CB C 13 66.83177136 . . . . . . . . 13 THR CB . 52530 1
59 . 1 . 1 13 13 THR N N 15 116.66354 0.000002336 . . . . . . . 13 THR N . 52530 1
60 . 1 . 1 14 14 PRO C C 13 172.2383995 0.9920860287 . . . . . . . 14 PRO C . 52530 1
61 . 1 . 1 14 14 PRO CA C 13 60.23640961 0.0620426382 . . . . . . . 14 PRO CA . 52530 1
62 . 1 . 1 14 14 PRO CB C 13 29.22468029 0.03114972263 . . . . . . . 14 PRO CB . 52530 1
63 . 1 . 1 15 15 CYS H H 1 8.357755815 0.001780095322 . . . . . . . 15 CYS HN . 52530 1
64 . 1 . 1 15 15 CYS CA C 13 54.03409667 0.1031041732 . . . . . . . 15 CYS CA . 52530 1
65 . 1 . 1 15 15 CYS CB C 13 37.82729644 0.2962222784 . . . . . . . 15 CYS CB . 52530 1
66 . 1 . 1 15 15 CYS N N 15 121.5432965 0 . . . . . . . 15 CYS N . 52530 1
67 . 1 . 1 16 16 VAL H H 1 8.351201049 0.001085450928 . . . . . . . 16 VAL HN . 52530 1
68 . 1 . 1 16 16 VAL C C 13 173.2808611 . . . . . . . . 16 VAL C . 52530 1
69 . 1 . 1 16 16 VAL CA C 13 58.94310172 0.08697004593 . . . . . . . 16 VAL CA . 52530 1
70 . 1 . 1 16 16 VAL CB C 13 31.41579057 0.07460183357 . . . . . . . 16 VAL CB . 52530 1
71 . 1 . 1 16 16 VAL N N 15 126.5780636 0.0000013 . . . . . . . 16 VAL N . 52530 1
72 . 1 . 1 17 17 GLY H H 1 8.502011998 0.001336117431 . . . . . . . 17 GLY HN . 52530 1
73 . 1 . 1 17 17 GLY C C 13 172.4035942 . . . . . . . . 17 GLY C . 52530 1
74 . 1 . 1 17 17 GLY CA C 13 42.05950982 0.03332350403 . . . . . . . 17 GLY CA . 52530 1
75 . 1 . 1 17 17 GLY N N 15 114.6462817 0.0000013 . . . . . . . 17 GLY N . 52530 1
76 . 1 . 1 18 18 ASP H H 1 8.370141497 0.001666560991 . . . . . . . 18 ASP HN . 52530 1
77 . 1 . 1 18 18 ASP C C 13 174.4741218 . . . . . . . . 18 ASP C . 52530 1
78 . 1 . 1 18 18 ASP CA C 13 52.92175306 . . . . . . . . 18 ASP CA . 52530 1
79 . 1 . 1 18 18 ASP CB C 13 37.72002378 0.03592411356 . . . . . . . 18 ASP CB . 52530 1
80 . 1 . 1 18 18 ASP N N 15 120.1139043 0.0000013 . . . . . . . 18 ASP N . 52530 1
81 . 1 . 1 19 19 LYS H H 1 8.055450499 0.001867212924 . . . . . . . 19 LYS HN . 52530 1
82 . 1 . 1 19 19 LYS C C 13 174.0810146 . . . . . . . . 19 LYS C . 52530 1
83 . 1 . 1 19 19 LYS CA C 13 53.34051447 0.1515533309 . . . . . . . 19 LYS CA . 52530 1
84 . 1 . 1 19 19 LYS CB C 13 28.76288663 0.005182269504 . . . . . . . 19 LYS CB . 52530 1
85 . 1 . 1 19 19 LYS N N 15 118.0865994 0 . . . . . . . 19 LYS N . 52530 1
86 . 1 . 1 20 20 CYS H H 1 7.410675063 0.001481478301 . . . . . . . 20 CYS HN . 52530 1
87 . 1 . 1 20 20 CYS C C 13 171.0043925 . . . . . . . . 20 CYS C . 52530 1
88 . 1 . 1 20 20 CYS CA C 13 52.07823408 0.02364640985 . . . . . . . 20 CYS CA . 52530 1
89 . 1 . 1 20 20 CYS CB C 13 37.63064745 . . . . . . . . 20 CYS CB . 52530 1
90 . 1 . 1 20 20 CYS N N 15 118.3056102 0.0000013 . . . . . . . 20 CYS N . 52530 1
91 . 1 . 1 21 21 VAL H H 1 7.989779657 0.002012875815 . . . . . . . 21 VAL HN . 52530 1
92 . 1 . 1 21 21 VAL C C 13 173.2285356 . . . . . . . . 21 VAL C . 52530 1
93 . 1 . 1 21 21 VAL CA C 13 57.53893833 2.940365232 . . . . . . . 21 VAL CA . 52530 1
94 . 1 . 1 21 21 VAL CB C 13 29.64291 . . . . . . . . 21 VAL CB . 52530 1
95 . 1 . 1 21 21 VAL N N 15 121.8738374 0.0000019 . . . . . . . 21 VAL N . 52530 1
96 . 1 . 1 22 22 LYS H H 1 8.329501394 0.001904131269 . . . . . . . 22 LYS HN . 52530 1
97 . 1 . 1 22 22 LYS C C 13 173.8865767 . . . . . . . . 22 LYS C . 52530 1
98 . 1 . 1 22 22 LYS CA C 13 58.00489507 2.393546158 . . . . . . . 22 LYS CA . 52530 1
99 . 1 . 1 22 22 LYS CB C 13 29.95927164 0.1423202106 . . . . . . . 22 LYS CB . 52530 1
100 . 1 . 1 22 22 LYS N N 15 126.0612444 0 . . . . . . . 22 LYS N . 52530 1
101 . 1 . 1 23 23 THR H H 1 7.977129211 0.001573302695 . . . . . . . 23 THR HN . 52530 1
102 . 1 . 1 23 23 THR C C 13 171.5031114 . . . . . . . . 23 THR C . 52530 1
103 . 1 . 1 23 23 THR CA C 13 53.37401294 . . . . . . . . 23 THR CA . 52530 1
104 . 1 . 1 23 23 THR CB C 13 67.01561429 0.05056654805 . . . . . . . 23 THR CB . 52530 1
105 . 1 . 1 23 23 THR N N 15 116.1252151 0.0000019 . . . . . . . 23 THR N . 52530 1
106 . 1 . 1 24 24 LYS H H 1 8.21573176 0.0003324423508 . . . . . . . 24 LYS HN . 52530 1
107 . 1 . 1 24 24 LYS C C 13 173.6053999 . . . . . . . . 24 LYS C . 52530 1
108 . 1 . 1 24 24 LYS CA C 13 53.56110988 0.0587980663 . . . . . . . 24 LYS CA . 52530 1
109 . 1 . 1 24 24 LYS CB C 13 30.06556064 0.03966771727 . . . . . . . 24 LYS CB . 52530 1
110 . 1 . 1 24 24 LYS N N 15 123.9967856 0.0000033 . . . . . . . 24 LYS N . 52530 1
111 . 1 . 1 25 25 ALA H H 1 8.17860625 0.0005894047002 . . . . . . . 25 ALA HN . 52530 1
112 . 1 . 1 25 25 ALA C C 13 174.9319917 . . . . . . . . 25 ALA C . 52530 1
113 . 1 . 1 25 25 ALA CA C 13 49.85359672 . . . . . . . . 25 ALA CA . 52530 1
114 . 1 . 1 25 25 ALA CB C 13 16.17764108 . . . . . . . . 25 ALA CB . 52530 1
115 . 1 . 1 25 25 ALA N N 15 125.7818761 0.000002336 . . . . . . . 25 ALA N . 52530 1
116 . 1 . 1 26 26 ALA H H 1 8.10178121 0.001425534711 . . . . . . . 26 ALA HN . 52530 1
117 . 1 . 1 26 26 ALA C C 13 175.0604662 . . . . . . . . 26 ALA C . 52530 1
118 . 1 . 1 26 26 ALA CA C 13 49.68479165 0.03440130639 . . . . . . . 26 ALA CA . 52530 1
119 . 1 . 1 26 26 ALA CB C 13 16.19256716 0.02146024257 . . . . . . . 26 ALA CB . 52530 1
120 . 1 . 1 26 26 ALA N N 15 123.1666827 0.0000013 . . . . . . . 26 ALA N . 52530 1
121 . 1 . 1 27 27 GLU H H 1 8.158597631 0.0008381314029 . . . . . . . 27 GLU HN . 52530 1
122 . 1 . 1 27 27 GLU C C 13 174.1085419 . . . . . . . . 27 GLU C . 52530 1
123 . 1 . 1 27 27 GLU CA C 13 53.77554764 0.04489006076 . . . . . . . 27 GLU CA . 52530 1
124 . 1 . 1 27 27 GLU CB C 13 27.2161589 0.04713744901 . . . . . . . 27 GLU CB . 52530 1
125 . 1 . 1 27 27 GLU N N 15 119.8573955 0 . . . . . . . 27 GLU N . 52530 1
126 . 1 . 1 28 28 GLY H H 1 8.245306566 0.000787885507 . . . . . . . 28 GLY HN . 52530 1
127 . 1 . 1 28 28 GLY C C 13 171.9360174 . . . . . . . . 28 GLY C . 52530 1
128 . 1 . 1 28 28 GLY CA C 13 42.53283233 0.0144340555 . . . . . . . 28 GLY CA . 52530 1
129 . 1 . 1 28 28 GLY N N 15 109.9502669 0.0000019 . . . . . . . 28 GLY N . 52530 1
130 . 1 . 1 29 29 OXA HN H 1 7.989427682 0.001996101722 . . . . . . . 29 OXA HN . 52530 1
131 . 1 . 1 29 29 OXA C2 C 13 172.2687423 . . . . . . . . 29 OXA C2 . 52530 1
132 . 1 . 1 29 29 OXA CA C 13 59.69387695 . . . . . . . . 29 OXA CA . 52530 1
133 . 1 . 1 29 29 OXA CB C 13 31.09562191 . . . . . . . . 29 OXA CB . 52530 1
134 . 1 . 1 29 29 OXA N N 15 121.6269122 0.0000013 . . . . . . . 29 OXA N . 52530 1
135 . 1 . 1 30 30 OXA C4 C 13 122.0 . . . . . . . . 30 OXA C4 . 52530 1
136 . 1 . 1 30 30 OXA C5 C 13 179.5330196 . . . . . . . . 30 OXA C5 . 52530 1
137 . 1 . 1 30 30 OXA C6 C 13 165.3 . . . . . . . . 30 OXA C6 . 52530 1
138 . 1 . 1 31 31 GLY H H 1 9.154838853 0.00331567601 . . . . . . . 31 GLY HN . 52530 1
139 . 1 . 1 31 31 GLY C C 13 172.229516 . . . . . . . . 31 GLY C . 52530 1
140 . 1 . 1 31 31 GLY CA C 13 42.02403266 0.01810856889 . . . . . . . 31 GLY CA . 52530 1
141 . 1 . 1 31 31 GLY N N 15 122.1270379 0 . . . . . . . 31 GLY N . 52530 1
142 . 1 . 1 32 32 GLU H H 1 8.463947092 0.001250228394 . . . . . . . 32 GLU HN . 52530 1
143 . 1 . 1 32 32 GLU C C 13 174.4963474 . . . . . . . . 32 GLU C . 52530 1
144 . 1 . 1 32 32 GLU CA C 13 54.08137782 0.03821387995 . . . . . . . 32 GLU CA . 52530 1
145 . 1 . 1 32 32 GLU CB C 13 27.05175459 0.0400807549 . . . . . . . 32 GLU CB . 52530 1
146 . 1 . 1 32 32 GLU N N 15 120.6461996 0.000002336 . . . . . . . 32 GLU N . 52530 1
147 . 1 . 1 33 33 GLY H H 1 8.537893318 0.001716284443 . . . . . . . 33 GLY HN . 52530 1
148 . 1 . 1 33 33 GLY C C 13 170.7676143 . . . . . . . . 33 GLY C . 52530 1
149 . 1 . 1 33 33 GLY CA C 13 42.50054973 . . . . . . . . 33 GLY CA . 52530 1
150 . 1 . 1 33 33 GLY N N 15 110.1570536 0 . . . . . . . 33 GLY N . 52530 1
151 . 1 . 1 34 34 OXA CA C 13 43.94208578 2.034810576 . . . . . . . 34 OXA CA . 52530 1
152 . 1 . 1 34 34 OXA CB C 13 31.07567492 . . . . . . . . 34 OXA CB . 52530 1
153 . 1 . 1 34 34 OXA N N 15 122.3566789 0 . . . . . . . 34 OXA N . 52530 1
154 . 1 . 1 34 34 OXA HN H 1 8.134242448 0.001349869352 . . . . . . . 34 OCA HN . 52530 1
155 . 1 . 1 35 35 OXA C4 C 13 122.0 . . . . . . . . 35 OXA C4 . 52530 1
156 . 1 . 1 35 35 OXA C5 C 13 179.5330196 . . . . . . . . 35 OXA C5 . 52530 1
157 . 1 . 1 35 35 OXA C6 C 13 165.0 . . . . . . . . 35 OXA C6 . 52530 1
158 . 1 . 1 36 36 GLY H H 1 9.143716379 0.0001889369463 . . . . . . . 36 GLY HN . 52530 1
159 . 1 . 1 36 36 GLY C C 13 172.5742532 . . . . . . . . 36 GLY C . 52530 1
160 . 1 . 1 36 36 GLY CA C 13 42.16847457 0.1503842828 . . . . . . . 36 GLY CA . 52530 1
161 . 1 . 1 36 36 GLY N N 15 121.9959355 0 . . . . . . . 36 GLY N . 52530 1
162 . 1 . 1 37 37 ALA H H 1 8.449778734 0.001309245947 . . . . . . . 37 ALA HN . 52530 1
163 . 1 . 1 37 37 ALA C C 13 175.6970318 . . . . . . . . 37 ALA C . 52530 1
164 . 1 . 1 37 37 ALA CA C 13 50.90135558 0.08427365035 . . . . . . . 37 ALA CA . 52530 1
165 . 1 . 1 37 37 ALA CB C 13 15.93744531 0.02750936942 . . . . . . . 37 ALA CB . 52530 1
166 . 1 . 1 37 37 ALA N N 15 124.1502291 0.0000013 . . . . . . . 37 ALA N . 52530 1
167 . 1 . 1 38 38 ASP H H 1 8.279665245 0.001428928194 . . . . . . . 38 ASP HN . 52530 1
168 . 1 . 1 38 38 ASP C C 13 174.0493347 . . . . . . . . 38 ASP C . 52530 1
169 . 1 . 1 38 38 ASP CA C 13 51.8228897 0.04088765267 . . . . . . . 38 ASP CA . 52530 1
170 . 1 . 1 38 38 ASP CB C 13 37.66044529 0.02112181417 . . . . . . . 38 ASP CB . 52530 1
171 . 1 . 1 38 38 ASP N N 15 117.1687384 0.0000013 . . . . . . . 38 ASP N . 52530 1
172 . 1 . 1 39 39 LYS H H 1 7.607779022 0.0008377291242 . . . . . . . 39 LYS HN . 52530 1
173 . 1 . 1 39 39 LYS C C 13 174.239416 . . . . . . . . 39 LYS C . 52530 1
174 . 1 . 1 39 39 LYS CA C 13 54.24788126 0.03030585331 . . . . . . . 39 LYS CA . 52530 1
175 . 1 . 1 39 39 LYS CB C 13 29.51825804 0.04285190568 . . . . . . . 39 LYS CB . 52530 1
176 . 1 . 1 39 39 LYS N N 15 121.388458 0.0000019 . . . . . . . 39 LYS N . 52530 1
177 . 1 . 1 40 40 ALA H H 1 7.961041806 0.001444727883 . . . . . . . 40 ALA HN . 52530 1
178 . 1 . 1 40 40 ALA C C 13 175.6578358 . . . . . . . . 40 ALA C . 52530 1
179 . 1 . 1 40 40 ALA CA C 13 50.31981312 0.008319115835 . . . . . . . 40 ALA CA . 52530 1
180 . 1 . 1 40 40 ALA CB C 13 15.84499157 0.0134497392 . . . . . . . 40 ALA CB . 52530 1
181 . 1 . 1 40 40 ALA N N 15 123.0786459 0 . . . . . . . 40 ALA N . 52530 1
182 . 1 . 1 41 41 HIS H H 1 7.866675489 0.001254528812 . . . . . . . 41 HIS HN . 52530 1
183 . 1 . 1 41 41 HIS C C 13 174.3066302 . . . . . . . . 41 HIS C . 52530 1
184 . 1 . 1 41 41 HIS CA C 13 53.86268839 0.04001130374 . . . . . . . 41 HIS CA . 52530 1
185 . 1 . 1 41 41 HIS CB C 13 29.78686996 0.03911239214 . . . . . . . 41 HIS CB . 52530 1
186 . 1 . 1 41 41 HIS N N 15 119.3459921 0.000002336 . . . . . . . 41 HIS N . 52530 1
187 . 1 . 1 42 42 SER H H 1 7.94076839 0.001134093421 . . . . . . . 42 SER HN . 52530 1
188 . 1 . 1 42 42 SER C C 13 172.0622027 . . . . . . . . 42 SER C . 52530 1
189 . 1 . 1 42 42 SER CA C 13 55.82806241 0.05126053235 . . . . . . . 42 SER CA . 52530 1
190 . 1 . 1 42 42 SER CB C 13 60.70537455 0.03035803092 . . . . . . . 42 SER CB . 52530 1
191 . 1 . 1 42 42 SER N N 15 115.9365183 0.000002336 . . . . . . . 42 SER N . 52530 1
192 . 1 . 1 43 43 LEU H H 1 7.997439848 0.001557482854 . . . . . . . 43 LEU HN . 52530 1
193 . 1 . 1 43 43 LEU C C 13 174.7554628 . . . . . . . . 43 LEU C . 52530 1
194 . 1 . 1 43 43 LEU CA C 13 52.46339832 0.03915959402 . . . . . . . 43 LEU CA . 52530 1
195 . 1 . 1 43 43 LEU CB C 13 39.14283558 0.03222360899 . . . . . . . 43 LEU CB . 52530 1
196 . 1 . 1 43 43 LEU N N 15 123.4610667 0.0000013 . . . . . . . 43 LEU N . 52530 1
197 . 1 . 1 44 44 GLU H H 1 7.942291979 0.001277582655 . . . . . . . 44 GLU HN . 52530 1
198 . 1 . 1 44 44 GLU C C 13 173.5063239 . . . . . . . . 44 GLU C . 52530 1
199 . 1 . 1 44 44 GLU CA C 13 53.88457805 0.001399534849 . . . . . . . 44 GLU CA . 52530 1
200 . 1 . 1 44 44 GLU CB C 13 27.29330937 0.001686369076 . . . . . . . 44 GLU CB . 52530 1
201 . 1 . 1 44 44 GLU N N 15 120.2969072 0.000002697 . . . . . . . 44 GLU N . 52530 1
202 . 1 . 1 45 45 HIS H H 1 8.023338653 0.002322293801 . . . . . . . 45 HIS HN . 52530 1
203 . 1 . 1 45 45 HIS C C 13 172.1621226 . . . . . . . . 45 HIS C . 52530 1
204 . 1 . 1 45 45 HIS CA C 13 53.12764716 0.002798396124 . . . . . . . 45 HIS CA . 52530 1
205 . 1 . 1 45 45 HIS CB C 13 27.7448543 0.008778948338 . . . . . . . 45 HIS CB . 52530 1
206 . 1 . 1 45 45 HIS N N 15 119.2919559 0.0000013 . . . . . . . 45 HIS N . 52530 1
207 . 1 . 1 46 46 HIS H H 1 8.009187727 0.002533952727 . . . . . . . 46 HIS HN . 52530 1
208 . 1 . 1 46 46 HIS C C 13 172.3595496 . . . . . . . . 46 HIS C . 52530 1
209 . 1 . 1 46 46 HIS CA C 13 53.59221144 . . . . . . . . 46 HIS CA . 52530 1
210 . 1 . 1 46 46 HIS CB C 13 27.13328134 . . . . . . . . 46 HIS CB . 52530 1
211 . 1 . 1 46 46 HIS N N 15 119.9172172 0.0000013 . . . . . . . 46 HIS N . 52530 1
212 . 1 . 1 47 47 HIS H H 1 8.337906901 0.0009978418121 . . . . . . . 47 HIS HN . 52530 1
213 . 1 . 1 47 47 HIS C C 13 171.1080971 . . . . . . . . 47 HIS C . 52530 1
214 . 1 . 1 47 47 HIS CA C 13 49.30459602 5.292635838 . . . . . . . 47 HIS CA . 52530 1
215 . 1 . 1 47 47 HIS CB C 13 37.89207606 . . . . . . . . 47 HIS CB . 52530 1
216 . 1 . 1 47 47 HIS N N 15 119.4143915 0 . . . . . . . 47 HIS N . 52530 1
217 . 1 . 1 48 48 HIS H H 1 7.93046028 0.003708997399 . . . . . . . 48 HIS HN . 52530 1
218 . 1 . 1 48 48 HIS C C 13 174.609889 . . . . . . . . 48 HIS C . 52530 1
219 . 1 . 1 48 48 HIS CA C 13 54.36598113 . . . . . . . . 48 HIS CA . 52530 1
220 . 1 . 1 48 48 HIS CB C 13 27.36600331 . . . . . . . . 48 HIS CB . 52530 1
221 . 1 . 1 48 48 HIS N N 15 125.2786614 0.0000013 . . . . . . . 48 HIS N . 52530 1
222 . 1 . 1 49 49 HIS H H 1 8.128809621 0.00160536183 . . . . . . . 49 HIS HN . 52530 1
223 . 1 . 1 49 49 HIS C C 13 174.1736457 . . . . . . . . 49 HIS C . 52530 1
224 . 1 . 1 49 49 HIS CA C 13 53.15488748 0.04905260424 . . . . . . . 49 HIS CA . 52530 1
225 . 1 . 1 49 49 HIS CB C 13 28.75024558 0.03879578449 . . . . . . . 49 HIS CB . 52530 1
226 . 1 . 1 49 49 HIS N N 15 118.0929584 0 . . . . . . . 49 HIS N . 52530 1
227 . 1 . 1 50 50 HIS H H 1 7.327346281 0.001174540159 . . . . . . . 50 HIS HN . 52530 1
228 . 1 . 1 50 50 HIS CA C 13 52.14617148 . . . . . . . . 50 HIS CA . 52530 1
229 . 1 . 1 50 50 HIS CB C 13 37.55633365 0.0246302261 . . . . . . . 50 HIS CB . 52530 1
230 . 1 . 1 50 50 HIS N N 15 118.2364382 0.0000013 . . . . . . . 50 HIS N . 52530 1
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