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 53751
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'CheA-P1 with ATP'
_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
;
Several peaks with ambiguous assignments have not been included in this assigned chemical shift list. The ambiguity in those peak assignments comes from overlap of 2 peaks during or at the end of assignment transfer from Zhou, H., et. al. (1995). Biochemistry, 34(42), 13858-13870. CheA-P1 conditions. Requests for the assigned chemical shift list that include these ambiguous peaks can be made to Lynmarie Thompson.
;
_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 TROSY' . . . 53751 1
stop_
loop_
_Systematic_chem_shift_offset.Type
_Systematic_chem_shift_offset.Atom_type
_Systematic_chem_shift_offset.Atom_isotope_number
_Systematic_chem_shift_offset.Val
_Systematic_chem_shift_offset.Val_err
_Systematic_chem_shift_offset.Entry_ID
_Systematic_chem_shift_offset.Assigned_chem_shift_list_ID
na 'all nitrogens' . 0.057 . 53751 1
na 'all 1H' . 0.104 . 53751 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 . . 53751 1
2 $software_2 . . 53751 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 5 5 ILE H H 1 8.114385425 . . 1 . . . . . 5 ILE H . 53751 1
2 . 1 . 1 5 5 ILE N N 15 122.1214722 . . 1 . . . . . 5 ILE N . 53751 1
3 . 1 . 1 6 6 SER H H 1 8.30115226 . . 1 . . . . . 6 SER H . 53751 1
4 . 1 . 1 6 6 SER N N 15 122.8054849 . . 1 . . . . . 6 SER N . 53751 1
5 . 1 . 1 7 7 ASP H H 1 8.249273106 . . 1 . . . . . 7 ASP H . 53751 1
6 . 1 . 1 7 7 ASP N N 15 123.2264881 . . 1 . . . . . 7 ASP N . 53751 1
7 . 1 . 1 8 8 PHE H H 1 7.902836602 . . 1 . . . . . 8 PHE H . 53751 1
8 . 1 . 1 8 8 PHE N N 15 120.3269912 . . 1 . . . . . 8 PHE N . 53751 1
9 . 1 . 1 9 9 TYR H H 1 7.623144495 . . 1 . . . . . 9 TYR H . 53751 1
10 . 1 . 1 9 9 TYR N N 15 119.4342829 . . 1 . . . . . 9 TYR N . 53751 1
11 . 1 . 1 10 10 GLN H H 1 7.863957196 . . 1 . . . . . 10 GLN H . 53751 1
12 . 1 . 1 10 10 GLN N N 15 118.8038523 . . 1 . . . . . 10 GLN N . 53751 1
13 . 1 . 1 11 11 THR H H 1 7.867641693 . . 1 . . . . . 11 THR H . 53751 1
14 . 1 . 1 11 11 THR N N 15 113.4121162 . . 1 . . . . . 11 THR N . 53751 1
15 . 1 . 1 12 12 PHE H H 1 7.427789382 . . 1 . . . . . 12 PHE H . 53751 1
16 . 1 . 1 12 12 PHE N N 15 122.8218551 . . 1 . . . . . 12 PHE N . 53751 1
17 . 1 . 1 13 13 PHE H H 1 8.25640941 . . 1 . . . . . 13 PHE H . 53751 1
18 . 1 . 1 13 13 PHE N N 15 119.4535581 . . 1 . . . . . 13 PHE N . 53751 1
19 . 1 . 1 14 14 ASP H H 1 8.256372854 . . 1 . . . . . 14 ASP H . 53751 1
20 . 1 . 1 14 14 ASP N N 15 118.5970024 . . 1 . . . . . 14 ASP N . 53751 1
21 . 1 . 1 15 15 GLU H H 1 8.002387176 . . 1 . . . . . 15 GLU H . 53751 1
22 . 1 . 1 15 15 GLU N N 15 122.6744003 . . 1 . . . . . 15 GLU N . 53751 1
23 . 1 . 1 16 16 ALA H H 1 9.165452441 . . 1 . . . . . 16 ALA H . 53751 1
24 . 1 . 1 16 16 ALA N N 15 123.0448658 . . 1 . . . . . 16 ALA N . 53751 1
25 . 1 . 1 17 17 ASP H H 1 8.279937124 . . 1 . . . . . 17 ASP H . 53751 1
26 . 1 . 1 17 17 ASP N N 15 119.1528386 . . 1 . . . . . 17 ASP N . 53751 1
27 . 1 . 1 18 18 GLU H H 1 7.351572908 . . 1 . . . . . 18 GLU H . 53751 1
28 . 1 . 1 18 18 GLU N N 15 121.29409 . . 1 . . . . . 18 GLU N . 53751 1
29 . 1 . 1 21 21 ALA H H 1 7.543976454 . . 1 . . . . . 21 ALA H . 53751 1
30 . 1 . 1 21 21 ALA N N 15 123.1068041 . . 1 . . . . . 21 ALA N . 53751 1
31 . 1 . 1 22 22 ASP H H 1 8.26197728 . . 1 . . . . . 22 ASP H . 53751 1
32 . 1 . 1 22 22 ASP N N 15 121.7562831 . . 1 . . . . . 22 ASP N . 53751 1
33 . 1 . 1 24 24 GLU H H 1 8.129055186 . . 1 . . . . . 24 GLU H . 53751 1
34 . 1 . 1 24 24 GLU N N 15 119.3165326 . . 1 . . . . . 24 GLU N . 53751 1
35 . 1 . 1 25 25 GLN H H 1 7.8190078 . . 1 . . . . . 25 GLN H . 53751 1
36 . 1 . 1 25 25 GLN N N 15 115.4249679 . . 1 . . . . . 25 GLN N . 53751 1
37 . 1 . 1 27 27 LEU H H 1 8.495293417 . . 1 . . . . . 27 LEU H . 53751 1
38 . 1 . 1 27 27 LEU N N 15 121.131262 . . 1 . . . . . 27 LEU N . 53751 1
39 . 1 . 1 28 28 LEU H H 1 7.873981869 . . 1 . . . . . 28 LEU H . 53751 1
40 . 1 . 1 28 28 LEU N N 15 115.9812719 . . 1 . . . . . 28 LEU N . 53751 1
41 . 1 . 1 29 29 VAL H H 1 7.021289262 . . 1 . . . . . 29 VAL H . 53751 1
42 . 1 . 1 29 29 VAL N N 15 109.6431715 . . 1 . . . . . 29 VAL N . 53751 1
43 . 1 . 1 30 30 LEU H H 1 7.158207308 . . 1 . . . . . 30 LEU H . 53751 1
44 . 1 . 1 30 30 LEU N N 15 126.0194401 . . 1 . . . . . 30 LEU N . 53751 1
45 . 1 . 1 31 31 GLN H H 1 8.860901162 . . 1 . . . . . 31 GLN H . 53751 1
46 . 1 . 1 31 31 GLN N N 15 127.1340469 . . 1 . . . . . 31 GLN N . 53751 1
47 . 1 . 1 33 33 GLU H H 1 8.755095876 . . 1 . . . . . 33 GLU H . 53751 1
48 . 1 . 1 33 33 GLU N N 15 114.6278772 . . 1 . . . . . 33 GLU N . 53751 1
49 . 1 . 1 34 34 ALA H H 1 7.34728462 . . 1 . . . . . 34 ALA H . 53751 1
50 . 1 . 1 34 34 ALA N N 15 122.1263173 . . 1 . . . . . 34 ALA N . 53751 1
51 . 1 . 1 36 36 ASP H H 1 8.238413427 . . 1 . . . . . 36 ASP H . 53751 1
52 . 1 . 1 36 36 ASP N N 15 126.1434809 . . 1 . . . . . 36 ASP N . 53751 1
53 . 1 . 1 37 37 ALA H H 1 8.945828939 . . 1 . . . . . 37 ALA H . 53751 1
54 . 1 . 1 37 37 ALA N N 15 130.9011614 . . 1 . . . . . 37 ALA N . 53751 1
55 . 1 . 1 38 38 GLU H H 1 8.307233325 . . 1 . . . . . 38 GLU H . 53751 1
56 . 1 . 1 38 38 GLU N N 15 118.1427309 . . 1 . . . . . 38 GLU N . 53751 1
57 . 1 . 1 40 40 LEU H H 1 7.947679846 . . 1 . . . . . 40 LEU H . 53751 1
58 . 1 . 1 40 40 LEU N N 15 118.2570194 . . 1 . . . . . 40 LEU N . 53751 1
59 . 1 . 1 41 41 ASN H H 1 8.497159852 . . 1 . . . . . 41 ASN H . 53751 1
60 . 1 . 1 41 41 ASN N N 15 118.4367702 . . 1 . . . . . 41 ASN N . 53751 1
61 . 1 . 1 42 42 ALA H H 1 7.837675707 . . 1 . . . . . 42 ALA H . 53751 1
62 . 1 . 1 42 42 ALA N N 15 123.631589 . . 1 . . . . . 42 ALA N . 53751 1
63 . 1 . 1 43 43 ILE H H 1 7.81256701 . . 1 . . . . . 43 ILE H . 53751 1
64 . 1 . 1 43 43 ILE N N 15 121.0396321 . . 1 . . . . . 43 ILE N . 53751 1
65 . 1 . 1 45 45 ARG H H 1 8.821005686 . . 1 . . . . . 45 ARG H . 53751 1
66 . 1 . 1 45 45 ARG N N 15 119.3007097 . . 1 . . . . . 45 ARG N . 53751 1
67 . 1 . 1 46 46 ALA H H 1 7.521517793 . . 1 . . . . . 46 ALA H . 53751 1
68 . 1 . 1 46 46 ALA N N 15 122.4566499 . . 1 . . . . . 46 ALA N . 53751 1
69 . 1 . 1 47 47 ALA H H 1 7.857371805 . . 1 . . . . . 47 ALA H . 53751 1
70 . 1 . 1 47 47 ALA N N 15 120.2436348 . . 1 . . . . . 47 ALA N . 53751 1
71 . 1 . 1 48 48 HIS H H 1 8.844149736 . . 1 . . . . . 48 HIS H . 53751 1
72 . 1 . 1 48 48 HIS N N 15 117.0770839 . . 1 . . . . . 48 HIS N . 53751 1
73 . 1 . 1 49 49 SER H H 1 8.31515272 . . 1 . . . . . 49 SER H . 53751 1
74 . 1 . 1 49 49 SER N N 15 117.6184343 . . 1 . . . . . 49 SER N . 53751 1
75 . 1 . 1 50 50 ILE H H 1 8.125649338 . . 1 . . . . . 50 ILE H . 53751 1
76 . 1 . 1 50 50 ILE N N 15 124.8265673 . . 1 . . . . . 50 ILE N . 53751 1
77 . 1 . 1 51 51 LYS H H 1 8.494159179 . . 1 . . . . . 51 LYS H . 53751 1
78 . 1 . 1 51 51 LYS N N 15 121.7822307 . . 1 . . . . . 51 LYS N . 53751 1
79 . 1 . 1 52 52 GLY H H 1 7.754151257 . . 1 . . . . . 52 GLY H . 53751 1
80 . 1 . 1 52 52 GLY N N 15 105.9216858 . . 1 . . . . . 52 GLY N . 53751 1
81 . 1 . 1 53 53 GLY H H 1 7.847722739 . . 1 . . . . . 53 GLY H . 53751 1
82 . 1 . 1 53 53 GLY N N 15 111.0783451 . . 1 . . . . . 53 GLY N . 53751 1
83 . 1 . 1 54 54 ALA H H 1 8.810820688 . . 1 . . . . . 54 ALA H . 53751 1
84 . 1 . 1 54 54 ALA N N 15 123.4093606 . . 1 . . . . . 54 ALA N . 53751 1
85 . 1 . 1 55 55 GLY H H 1 7.988469464 . . 1 . . . . . 55 GLY H . 53751 1
86 . 1 . 1 55 55 GLY N N 15 104.0072245 . . 1 . . . . . 55 GLY N . 53751 1
87 . 1 . 1 56 56 THR H H 1 7.54936262 . . 1 . . . . . 56 THR H . 53751 1
88 . 1 . 1 56 56 THR N N 15 120.8969032 . . 1 . . . . . 56 THR N . 53751 1
89 . 1 . 1 57 57 PHE H H 1 6.8440504 . . 1 . . . . . 57 PHE H . 53751 1
90 . 1 . 1 57 57 PHE N N 15 116.7462769 . . 1 . . . . . 57 PHE N . 53751 1
91 . 1 . 1 58 58 GLY H H 1 7.145946967 . . 1 . . . . . 58 GLY H . 53751 1
92 . 1 . 1 58 58 GLY N N 15 107.6931992 . . 1 . . . . . 58 GLY N . 53751 1
93 . 1 . 1 59 59 PHE H H 1 8.089423313 . . 1 . . . . . 59 PHE H . 53751 1
94 . 1 . 1 59 59 PHE N N 15 122.6537259 . . 1 . . . . . 59 PHE N . 53751 1
95 . 1 . 1 60 60 SER H H 1 7.968194755 . . 1 . . . . . 60 SER H . 53751 1
96 . 1 . 1 60 60 SER N N 15 119.8690314 . . 1 . . . . . 60 SER N . 53751 1
97 . 1 . 1 61 61 VAL H H 1 7.847148306 . . 1 . . . . . 61 VAL H . 53751 1
98 . 1 . 1 61 61 VAL N N 15 122.4999463 . . 1 . . . . . 61 VAL N . 53751 1
99 . 1 . 1 62 62 LEU H H 1 6.711762502 . . 1 . . . . . 62 LEU H . 53751 1
100 . 1 . 1 62 62 LEU N N 15 122.6482853 . . 1 . . . . . 62 LEU N . 53751 1
101 . 1 . 1 63 63 GLN H H 1 8.600633556 . . 1 . . . . . 63 GLN H . 53751 1
102 . 1 . 1 63 63 GLN N N 15 123.131978 . . 1 . . . . . 63 GLN N . 53751 1
103 . 1 . 1 64 64 GLU H H 1 8.325346546 . . 1 . . . . . 64 GLU H . 53751 1
104 . 1 . 1 64 64 GLU N N 15 119.4097067 . . 1 . . . . . 64 GLU N . 53751 1
105 . 1 . 1 65 65 THR H H 1 8.073796408 . . 1 . . . . . 65 THR H . 53751 1
106 . 1 . 1 65 65 THR N N 15 117.1456829 . . 1 . . . . . 65 THR N . 53751 1
107 . 1 . 1 66 66 THR H H 1 8.136250219 . . 1 . . . . . 66 THR H . 53751 1
108 . 1 . 1 66 66 THR N N 15 113.4767255 . . 1 . . . . . 66 THR N . 53751 1
109 . 1 . 1 67 67 HIS H H 1 8.570988012 . . 1 . . . . . 67 HIS H . 53751 1
110 . 1 . 1 67 67 HIS N N 15 123.0534098 . . 1 . . . . . 67 HIS N . 53751 1
111 . 1 . 1 68 68 LEU H H 1 7.74821636 . . 1 . . . . . 68 LEU H . 53751 1
112 . 1 . 1 68 68 LEU N N 15 118.3970113 . . 1 . . . . . 68 LEU N . 53751 1
113 . 1 . 1 69 69 MET H H 1 7.713810381 . . 1 . . . . . 69 MET H . 53751 1
114 . 1 . 1 69 69 MET N N 15 119.5485671 . . 1 . . . . . 69 MET N . 53751 1
115 . 1 . 1 70 70 GLU H H 1 9.375451796 . . 1 . . . . . 70 GLU H . 53751 1
116 . 1 . 1 70 70 GLU N N 15 121.748662 . . 1 . . . . . 70 GLU N . 53751 1
117 . 1 . 1 71 71 ASN H H 1 7.987997631 . . 1 . . . . . 71 ASN H . 53751 1
118 . 1 . 1 71 71 ASN N N 15 117.887436 . . 1 . . . . . 71 ASN N . 53751 1
119 . 1 . 1 72 72 LEU H H 1 7.188925551 . . 1 . . . . . 72 LEU H . 53751 1
120 . 1 . 1 72 72 LEU N N 15 120.1545889 . . 1 . . . . . 72 LEU N . 53751 1
121 . 1 . 1 74 74 ASP H H 1 8.771366902 . . 1 . . . . . 74 ASP H . 53751 1
122 . 1 . 1 74 74 ASP N N 15 120.6786474 . . 1 . . . . . 74 ASP N . 53751 1
123 . 1 . 1 76 76 ALA H H 1 8.340321494 . . 1 . . . . . 76 ALA H . 53751 1
124 . 1 . 1 76 76 ALA N N 15 121.6509894 . . 1 . . . . . 76 ALA N . 53751 1
125 . 1 . 1 77 77 ARG H H 1 8.838295937 . . 1 . . . . . 77 ARG H . 53751 1
126 . 1 . 1 77 77 ARG N N 15 120.9037323 . . 1 . . . . . 77 ARG N . 53751 1
127 . 1 . 1 79 79 GLY H H 1 7.761288722 . . 1 . . . . . 79 GLY H . 53751 1
128 . 1 . 1 79 79 GLY N N 15 108.2014777 . . 1 . . . . . 79 GLY N . 53751 1
129 . 1 . 1 80 80 GLU H H 1 7.940649033 . . 1 . . . . . 80 GLU H . 53751 1
130 . 1 . 1 80 80 GLU N N 15 118.451416 . . 1 . . . . . 80 GLU N . 53751 1
131 . 1 . 1 81 81 MET H H 1 6.92488323 . . 1 . . . . . 81 MET H . 53751 1
132 . 1 . 1 81 81 MET N N 15 117.5685361 . . 1 . . . . . 81 MET N . 53751 1
133 . 1 . 1 82 82 GLN H H 1 8.637417506 . . 1 . . . . . 82 GLN H . 53751 1
134 . 1 . 1 82 82 GLN N N 15 126.6199527 . . 1 . . . . . 82 GLN N . 53751 1
135 . 1 . 1 84 84 ASN H H 1 6.632092746 . . 1 . . . . . 84 ASN H . 53751 1
136 . 1 . 1 84 84 ASN N N 15 112.5281151 . . 1 . . . . . 84 ASN N . 53751 1
137 . 1 . 1 86 86 ASP H H 1 7.907192698 . . 1 . . . . . 86 ASP H . 53751 1
138 . 1 . 1 86 86 ASP N N 15 122.7173984 . . 1 . . . . . 86 ASP N . 53751 1
139 . 1 . 1 87 87 ILE H H 1 8.331781277 . . 1 . . . . . 87 ILE H . 53751 1
140 . 1 . 1 87 87 ILE N N 15 123.286541 . . 1 . . . . . 87 ILE N . 53751 1
141 . 1 . 1 88 88 ILE H H 1 7.708598069 . . 1 . . . . . 88 ILE H . 53751 1
142 . 1 . 1 88 88 ILE N N 15 120.2779226 . . 1 . . . . . 88 ILE N . 53751 1
143 . 1 . 1 89 89 ASN H H 1 8.406684121 . . 1 . . . . . 89 ASN H . 53751 1
144 . 1 . 1 89 89 ASN N N 15 118.9103629 . . 1 . . . . . 89 ASN N . 53751 1
145 . 1 . 1 90 90 LEU H H 1 7.909501294 . . 1 . . . . . 90 LEU H . 53751 1
146 . 1 . 1 90 90 LEU N N 15 125.2719943 . . 1 . . . . . 90 LEU N . 53751 1
147 . 1 . 1 91 91 PHE H H 1 8.799695472 . . 1 . . . . . 91 PHE H . 53751 1
148 . 1 . 1 91 91 PHE N N 15 124.1096222 . . 1 . . . . . 91 PHE N . 53751 1
149 . 1 . 1 92 92 LEU H H 1 8.699822838 . . 1 . . . . . 92 LEU H . 53751 1
150 . 1 . 1 92 92 LEU N N 15 123.4473376 . . 1 . . . . . 92 LEU N . 53751 1
151 . 1 . 1 93 93 GLU H H 1 8.378482912 . . 1 . . . . . 93 GLU H . 53751 1
152 . 1 . 1 93 93 GLU N N 15 122.2662636 . . 1 . . . . . 93 GLU N . 53751 1
153 . 1 . 1 94 94 THR H H 1 8.603383895 . . 1 . . . . . 94 THR H . 53751 1
154 . 1 . 1 94 94 THR N N 15 118.2348191 . . 1 . . . . . 94 THR N . 53751 1
155 . 1 . 1 96 96 ASP H H 1 7.932964532 . . 1 . . . . . 96 ASP H . 53751 1
156 . 1 . 1 96 96 ASP N N 15 121.6038663 . . 1 . . . . . 96 ASP N . 53751 1
157 . 1 . 1 98 98 MET H H 1 9.174402237 . . 1 . . . . . 98 MET H . 53751 1
158 . 1 . 1 98 98 MET N N 15 122.8340836 . . 1 . . . . . 98 MET N . 53751 1
159 . 1 . 1 99 99 GLN H H 1 8.332593918 . . 1 . . . . . 99 GLN H . 53751 1
160 . 1 . 1 99 99 GLN N N 15 119.6369781 . . 1 . . . . . 99 GLN N . 53751 1
161 . 1 . 1 100 100 GLU H H 1 7.755155521 . . 1 . . . . . 100 GLU H . 53751 1
162 . 1 . 1 100 100 GLU N N 15 119.9733519 . . 1 . . . . . 100 GLU N . 53751 1
163 . 1 . 1 103 103 ASP H H 1 8.577161228 . . 1 . . . . . 103 ASP H . 53751 1
164 . 1 . 1 103 103 ASP N N 15 118.6946879 . . 1 . . . . . 103 ASP N . 53751 1
165 . 1 . 1 104 104 ALA H H 1 7.657685253 . . 1 . . . . . 104 ALA H . 53751 1
166 . 1 . 1 104 104 ALA N N 15 125.1685634 . . 1 . . . . . 104 ALA N . 53751 1
167 . 1 . 1 105 105 TYR H H 1 7.76576376 . . 1 . . . . . 105 TYR H . 53751 1
168 . 1 . 1 105 105 TYR N N 15 119.763298 . . 1 . . . . . 105 TYR N . 53751 1
169 . 1 . 1 107 107 GLN H H 1 7.185634005 . . 1 . . . . . 107 GLN H . 53751 1
170 . 1 . 1 107 107 GLN N N 15 116.2475447 . . 1 . . . . . 107 GLN N . 53751 1
171 . 1 . 1 108 108 SER H H 1 8.101189045 . . 1 . . . . . 108 SER H . 53751 1
172 . 1 . 1 108 108 SER N N 15 113.6983723 . . 1 . . . . . 108 SER N . 53751 1
173 . 1 . 1 109 109 GLN H H 1 8.112127188 . . 1 . . . . . 109 GLN H . 53751 1
174 . 1 . 1 109 109 GLN N N 15 118.4341239 . . 1 . . . . . 109 GLN N . 53751 1
175 . 1 . 1 110 110 GLU H H 1 8.280987569 . . 1 . . . . . 110 GLU H . 53751 1
176 . 1 . 1 110 110 GLU N N 15 121.1104556 . . 1 . . . . . 110 GLU N . 53751 1
177 . 1 . 1 113 113 ALA H H 1 8.827691378 . . 1 . . . . . 113 ALA H . 53751 1
178 . 1 . 1 113 113 ALA N N 15 133.3088936 . . 1 . . . . . 113 ALA N . 53751 1
179 . 1 . 1 114 114 ALA H H 1 8.271164543 . . 1 . . . . . 114 ALA H . 53751 1
180 . 1 . 1 114 114 ALA N N 15 122.0658405 . . 1 . . . . . 114 ALA N . 53751 1
181 . 1 . 1 115 115 SER H H 1 8.36108747 . . 1 . . . . . 115 SER H . 53751 1
182 . 1 . 1 115 115 SER N N 15 116.9594634 . . 1 . . . . . 115 SER N . 53751 1
183 . 1 . 1 116 116 PHE H H 1 7.240658747 . . 1 . . . . . 116 PHE H . 53751 1
184 . 1 . 1 116 116 PHE N N 15 123.3054104 . . 1 . . . . . 116 PHE N . 53751 1
185 . 1 . 1 118 118 TYR H H 1 7.952790185 . . 1 . . . . . 118 TYR H . 53751 1
186 . 1 . 1 118 118 TYR N N 15 119.3531404 . . 1 . . . . . 118 TYR N . 53751 1
187 . 1 . 1 119 119 ILE H H 1 8.395337773 . . 1 . . . . . 119 ILE H . 53751 1
188 . 1 . 1 119 119 ILE N N 15 122.9857927 . . 1 . . . . . 119 ILE N . 53751 1
189 . 1 . 1 121 121 GLN H H 1 7.563682268 . . 1 . . . . . 121 GLN H . 53751 1
190 . 1 . 1 121 121 GLN N N 15 118.7337938 . . 1 . . . . . 121 GLN N . 53751 1
191 . 1 . 1 122 122 ALA H H 1 7.669937027 . . 1 . . . . . 122 ALA H . 53751 1
192 . 1 . 1 122 122 ALA N N 15 123.0561741 . . 1 . . . . . 122 ALA N . 53751 1
193 . 1 . 1 123 123 LEU H H 1 8.507540907 . . 1 . . . . . 123 LEU H . 53751 1
194 . 1 . 1 123 123 LEU N N 15 118.989753 . . 1 . . . . . 123 LEU N . 53751 1
195 . 1 . 1 125 125 GLN H H 1 8.06201093 . . 1 . . . . . 125 GLN H . 53751 1
196 . 1 . 1 125 125 GLN N N 15 119.9658874 . . 1 . . . . . 125 GLN N . 53751 1
197 . 1 . 1 126 126 LEU H H 1 7.44919112 . . 1 . . . . . 126 LEU H . 53751 1
198 . 1 . 1 126 126 LEU N N 15 119.668015 . . 1 . . . . . 126 LEU N . 53751 1
199 . 1 . 1 127 127 ALA H H 1 7.461609853 . . 1 . . . . . 127 ALA H . 53751 1
200 . 1 . 1 127 127 ALA N N 15 120.7709319 . . 1 . . . . . 127 ALA N . 53751 1
201 . 1 . 1 128 128 LEU H H 1 7.722464561 . . 1 . . . . . 128 LEU H . 53751 1
202 . 1 . 1 128 128 LEU N N 15 119.6466904 . . 1 . . . . . 128 LEU N . 53751 1
203 . 1 . 1 129 129 GLU H H 1 8.099069245 . . 1 . . . . . 129 GLU H . 53751 1
204 . 1 . 1 129 129 GLU N N 15 120.8423897 . . 1 . . . . . 129 GLU N . 53751 1
205 . 1 . 1 130 130 ALA H H 1 8.151488144 . . 1 . . . . . 130 ALA H . 53751 1
206 . 1 . 1 130 130 ALA N N 15 123.2837992 . . 1 . . . . . 130 ALA N . 53751 1
207 . 1 . 1 131 131 LYS H H 1 7.690411568 . . 1 . . . . . 131 LYS H . 53751 1
208 . 1 . 1 131 131 LYS N N 15 118.4028244 . . 1 . . . . . 131 LYS N . 53751 1
209 . 1 . 1 132 132 GLY H H 1 8.021937733 . . 1 . . . . . 132 GLY H . 53751 1
210 . 1 . 1 132 132 GLY N N 15 109.5314682 . . 1 . . . . . 132 GLY N . 53751 1
211 . 1 . 1 133 133 GLU H H 1 8.213807175 . . 1 . . . . . 133 GLU H . 53751 1
212 . 1 . 1 133 133 GLU N N 15 121.4129799 . . 1 . . . . . 133 GLU N . 53751 1
213 . 1 . 1 134 134 THR H H 1 7.762975451 . . 1 . . . . . 134 THR H . 53751 1
214 . 1 . 1 134 134 THR N N 15 120.5548749 . . 1 . . . . . 134 THR N . 53751 1
stop_
save_