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 53608
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name ASPA35%
_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' . . . 53608 2
2 '3D HNCO' . . . 53608 2
3 '3D HNCA' . . . 53608 2
4 '3D HN(CA)CO' . . . 53608 2
5 '3D CBCA(CO)NH' . . . 53608 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 . . 53608 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 50 50 HIS H H 1 8.563585281 0.0108287784 . . . . . . . 50 HIS H . 53608 2
2 . 1 . 1 50 50 HIS C C 13 175.1221313 . . . . . . . . 50 HIS C . 53608 2
3 . 1 . 1 50 50 HIS CA C 13 56.66863403 0.09728407335 . . . . . . . 50 HIS CA . 53608 2
4 . 1 . 1 50 50 HIS CB C 13 30.24257469 0.05068397522 . . . . . . . 50 HIS CB . 53608 2
5 . 1 . 1 50 50 HIS N N 15 125.3 0.00000135 . . . . . . . 50 HIS N . 53608 2
6 . 1 . 1 51 51 GLY H H 1 8.467178631 0.01259292416 . . . . . . . 51 GLY H . 53608 2
7 . 1 . 1 51 51 GLY C C 13 173.7247031 . . . . . . . . 51 GLY C . 53608 2
8 . 1 . 1 51 51 GLY CA C 13 45.22678057 0.1152103015 . . . . . . . 51 GLY CA . 53608 2
9 . 1 . 1 51 51 GLY N N 15 110.7345984 0.1308032227 . . . . . . . 51 GLY N . 53608 2
10 . 1 . 1 52 52 VAL H H 1 7.924046199 0.00564716807 . . . . . . . 52 VAL H . 53608 2
11 . 1 . 1 52 52 VAL C C 13 175.8647003 . . . . . . . . 52 VAL C . 53608 2
12 . 1 . 1 52 52 VAL CA C 13 62.17281647 0.0677897924 . . . . . . . 52 VAL CA . 53608 2
13 . 1 . 1 52 52 VAL CB C 13 32.91016388 0.07471847534 . . . . . . . 52 VAL CB . 53608 2
14 . 1 . 1 52 52 VAL N N 15 119.5630348 0.0002373442286 . . . . . . . 52 VAL N . 53608 2
15 . 1 . 1 53 53 ALA H H 1 8.420241462 0.01725059344 . . . . . . . 53 ALA H . 53608 2
16 . 1 . 1 53 53 ALA C C 13 177.7991943 . . . . . . . . 53 ALA C . 53608 2
17 . 1 . 1 53 53 ALA CA C 13 52.35773163 0.1146572464 . . . . . . . 53 ALA CA . 53608 2
18 . 1 . 1 53 53 ALA CB C 13 19.08607674 0.0371799469 . . . . . . . 53 ALA CB . 53608 2
19 . 1 . 1 53 53 ALA N N 15 128.310222 0.06312562346 . . . . . . . 53 ALA N . 53608 2
20 . 1 . 1 54 54 THR H H 1 8.223499722 0.004745006498 . . . . . . . 54 THR H . 53608 2
21 . 1 . 1 54 54 THR C C 13 174.101593 . . . . . . . . 54 THR C . 53608 2
22 . 1 . 1 54 54 THR CA C 13 61.88586426 0.09574483515 . . . . . . . 54 THR CA . 53608 2
23 . 1 . 1 54 54 THR CB C 13 70.14709473 0 . . . . . . . 54 THR CB . 53608 2
24 . 1 . 1 54 54 THR N N 15 114.9620233 0.0000436 . . . . . . . 54 THR N . 53608 2
25 . 1 . 1 55 55 VAL H H 1 8.245549917 0.009064484591 . . . . . . . 55 VAL H . 53608 2
26 . 1 . 1 55 55 VAL C C 13 177.5076752 . . . . . . . . 55 VAL C . 53608 2
27 . 1 . 1 55 55 VAL CA C 13 62.12744904 . . . . . . . . 55 VAL CA . 53608 2
28 . 1 . 1 55 55 VAL CB C 13 29.70769119 . . . . . . . . 55 VAL CB . 53608 2
29 . 1 . 1 55 55 VAL N N 15 123.2747229 0.1976981107 . . . . . . . 55 VAL N . 53608 2
30 . 1 . 1 65 65 ASN H H 1 8.398287228 0.02287605348 . . . . . . . 65 ASN H . 53608 2
31 . 1 . 1 65 65 ASN C C 13 174.7737122 . . . . . . . . 65 ASN C . 53608 2
32 . 1 . 1 65 65 ASN CA C 13 52.95070267 0.2593493723 . . . . . . . 65 ASN CA . 53608 2
33 . 1 . 1 65 65 ASN CB C 13 38.84056091 . . . . . . . . 65 ASN CB . 53608 2
34 . 1 . 1 65 65 ASN N N 15 123.746125 0.0000013 . . . . . . . 65 ASN N . 53608 2
35 . 1 . 1 66 66 VAL H H 1 8.229665226 0.01190280504 . . . . . . . 66 VAL H . 53608 2
36 . 1 . 1 66 66 VAL C C 13 176.8365631 . . . . . . . . 66 VAL C . 53608 2
37 . 1 . 1 66 66 VAL CA C 13 62.53942108 0.1078739316 . . . . . . . 66 VAL CA . 53608 2
38 . 1 . 1 66 66 VAL CB C 13 32.82143974 0.2123165131 . . . . . . . 66 VAL CB . 53608 2
39 . 1 . 1 66 66 VAL N N 15 121.2 0.0000023 . . . . . . . 66 VAL N . 53608 2
40 . 1 . 1 67 67 GLY H H 1 8.546427318 0.007426317352 . . . . . . . 67 GLY H . 53608 2
41 . 1 . 1 67 67 GLY C C 13 174.5990448 . . . . . . . . 67 GLY C . 53608 2
42 . 1 . 1 67 67 GLY CA C 13 45.24020386 0.128739142 . . . . . . . 67 GLY CA . 53608 2
43 . 1 . 1 67 67 GLY N N 15 112.6 0.0000023 . . . . . . . 67 GLY N . 53608 2
44 . 1 . 1 68 68 GLY H H 1 8.225402968 0.01505853302 . . . . . . . 68 GLY H . 53608 2
45 . 1 . 1 68 68 GLY C C 13 173.6817017 . . . . . . . . 68 GLY C . 53608 2
46 . 1 . 1 68 68 GLY CA C 13 44.9834259 0.1008279712 . . . . . . . 68 GLY CA . 53608 2
47 . 1 . 1 68 68 GLY N N 15 108.7 0.0000019 . . . . . . . 68 GLY N . 53608 2
48 . 1 . 1 69 69 ALA H H 1 8.152261893 0.01463682664 . . . . . . . 69 ALA H . 53608 2
49 . 1 . 1 69 69 ALA C C 13 177.6108704 . . . . . . . . 69 ALA C . 53608 2
50 . 1 . 1 69 69 ALA CA C 13 52.2533226 0.0399059484 . . . . . . . 69 ALA CA . 53608 2
51 . 1 . 1 69 69 ALA CB C 13 19.19177246 . . . . . . . . 69 ALA CB . 53608 2
52 . 1 . 1 69 69 ALA N N 15 123.6345886 0.04891569983 . . . . . . . 69 ALA N . 53608 2
53 . 1 . 1 70 70 VAL H H 1 8.210016251 0.004282975386 . . . . . . . 70 VAL H . 53608 2
54 . 1 . 1 70 70 VAL C C 13 176.3222504 . . . . . . . . 70 VAL C . 53608 2
55 . 1 . 1 70 70 VAL CA C 13 62.39010162 0.05947502037 . . . . . . . 70 VAL CA . 53608 2
56 . 1 . 1 70 70 VAL CB C 13 32.731884 0.2046852112 . . . . . . . 70 VAL CB . 53608 2
57 . 1 . 1 70 70 VAL N N 15 120.5 0 . . . . . . . 70 VAL N . 53608 2
58 . 1 . 1 71 71 VAL H H 1 8.371560733 0.007836758114 . . . . . . . 71 VAL H . 53608 2
59 . 1 . 1 71 71 VAL C C 13 176.3387299 . . . . . . . . 71 VAL C . 53608 2
60 . 1 . 1 71 71 VAL CA C 13 62.18355789 0.07834846777 . . . . . . . 71 VAL CA . 53608 2
61 . 1 . 1 71 71 VAL CB C 13 32.71709633 0.03788948059 . . . . . . . 71 VAL CB . 53608 2
62 . 1 . 1 71 71 VAL N N 15 125.5 0 . . . . . . . 71 VAL N . 53608 2
63 . 1 . 1 72 72 THR H H 1 8.306484359 0.01587698828 . . . . . . . 72 THR H . 53608 2
64 . 1 . 1 72 72 THR C C 13 174.8664551 . . . . . . . . 72 THR C . 53608 2
65 . 1 . 1 72 72 THR CA C 13 61.8167429 0.04402612793 . . . . . . . 72 THR CA . 53608 2
66 . 1 . 1 72 72 THR CB C 13 70.0303421 . . . . . . . . 72 THR CB . 53608 2
67 . 1 . 1 72 72 THR N N 15 118.7632424 0.05811879105 . . . . . . . 72 THR N . 53608 2
68 . 1 . 1 73 73 GLY H H 1 8.417261941 0.01432115117 . . . . . . . 73 GLY H . 53608 2
69 . 1 . 1 73 73 GLY C C 13 173.6885071 . . . . . . . . 73 GLY C . 53608 2
70 . 1 . 1 73 73 GLY CA C 13 45.07693672 0.2986545428 . . . . . . . 73 GLY CA . 53608 2
71 . 1 . 1 73 73 GLY N N 15 111.4367817 0.1274649355 . . . . . . . 73 GLY N . 53608 2
72 . 1 . 1 74 74 VAL H H 1 7.838923772 0.01033303338 . . . . . . . 74 VAL H . 53608 2
73 . 1 . 1 74 74 VAL C C 13 173.6885071 . . . . . . . . 74 VAL C . 53608 2
74 . 1 . 1 74 74 VAL CA C 13 62.22775269 . . . . . . . . 74 VAL CA . 53608 2
75 . 1 . 1 74 74 VAL N N 15 119.3328328 0.00005966 . . . . . . . 74 VAL N . 53608 2
76 . 1 . 1 76 76 ALA H H 1 8.358490263 0.004062384921 . . . . . . . 76 ALA H . 53608 2
77 . 1 . 1 76 76 ALA C C 13 177.4750366 . . . . . . . . 76 ALA C . 53608 2
78 . 1 . 1 76 76 ALA CA C 13 52.21720695 0.05131410824 . . . . . . . 76 ALA CA . 53608 2
79 . 1 . 1 76 76 ALA CB C 13 19.20894241 . . . . . . . . 76 ALA CB . 53608 2
80 . 1 . 1 76 76 ALA N N 15 127.5026125 0.03513285016 . . . . . . . 76 ALA N . 53608 2
81 . 1 . 1 77 77 VAL H H 1 8.153513908 0.01212931855 . . . . . . . 77 VAL H . 53608 2
82 . 1 . 1 77 77 VAL C C 13 175.8782959 . . . . . . . . 77 VAL C . 53608 2
83 . 1 . 1 77 77 VAL CA C 13 61.96710682 0.06607755319 . . . . . . . 77 VAL CA . 53608 2
84 . 1 . 1 77 77 VAL CB C 13 32.88737869 . . . . . . . . 77 VAL CB . 53608 2
85 . 1 . 1 77 77 VAL N N 15 120.2 0 . . . . . . . 77 VAL N . 53608 2
86 . 1 . 1 78 78 ALA H H 1 8.493169679 0.007313099528 . . . . . . . 78 ALA H . 53608 2
87 . 1 . 1 78 78 ALA C C 13 177.6276398 . . . . . . . . 78 ALA C . 53608 2
88 . 1 . 1 78 78 ALA CA C 13 52.4541804 0.2475072696 . . . . . . . 78 ALA CA . 53608 2
89 . 1 . 1 78 78 ALA CB C 13 19.25655619 0.1442910576 . . . . . . . 78 ALA CB . 53608 2
90 . 1 . 1 78 78 ALA N N 15 128.3479818 0.004818046838 . . . . . . . 78 ALA N . 53608 2
91 . 1 . 1 79 79 GLN H H 1 8.374167789 0.008011852811 . . . . . . . 79 GLN H . 53608 2
92 . 1 . 1 79 79 GLN C C 13 177.6276398 . . . . . . . . 79 GLN C . 53608 2
93 . 1 . 1 79 79 GLN CA C 13 56.11985779 0.4088439941 . . . . . . . 79 GLN CA . 53608 2
94 . 1 . 1 79 79 GLN CB C 13 29.83540535 . . . . . . . . 79 GLN CB . 53608 2
95 . 1 . 1 79 79 GLN N N 15 120.5 0 . . . . . . . 79 GLN N . 53608 2
96 . 1 . 1 81 81 THR H H 1 8.276649611 0.006834579124 . . . . . . . 81 THR H . 53608 2
97 . 1 . 1 81 81 THR C C 13 176.7113495 . . . . . . . . 81 THR C . 53608 2
98 . 1 . 1 81 81 THR CA C 13 62.06259918 . . . . . . . . 81 THR CA . 53608 2
99 . 1 . 1 81 81 THR N N 15 116.8805275 0.002328198138 . . . . . . . 81 THR N . 53608 2
100 . 1 . 1 86 86 GLY H H 1 8.483969116 0.00701493318 . . . . . . . 86 GLY H . 53608 2
101 . 1 . 1 86 86 GLY C C 13 174.2184601 . . . . . . . . 86 GLY C . 53608 2
102 . 1 . 1 86 86 GLY CA C 13 45.2115434 0.08252522719 . . . . . . . 86 GLY CA . 53608 2
103 . 1 . 1 86 86 GLY N N 15 108.1 0 . . . . . . . 86 GLY N . 53608 2
104 . 1 . 1 87 87 SER H H 1 8.143655883 0.01452298537 . . . . . . . 87 SER H . 53608 2
105 . 1 . 1 87 87 SER C C 13 174.6099548 . . . . . . . . 87 SER C . 53608 2
106 . 1 . 1 87 87 SER CA C 13 58.36006775 0.0348516554 . . . . . . . 87 SER CA . 53608 2
107 . 1 . 1 87 87 SER CB C 13 63.94324493 0.277305603 . . . . . . . 87 SER CB . 53608 2
108 . 1 . 1 87 87 SER N N 15 115.7 0.0000013 . . . . . . . 87 SER N . 53608 2
109 . 1 . 1 88 88 ILE H H 1 8.171804973 0.009215899499 . . . . . . . 88 ILE H . 53608 2
110 . 1 . 1 88 88 ILE C C 13 176.2606049 . . . . . . . . 88 ILE C . 53608 2
111 . 1 . 1 88 88 ILE CA C 13 61.29160309 0.0385820768 . . . . . . . 88 ILE CA . 53608 2
112 . 1 . 1 88 88 ILE CB C 13 39.04089355 . . . . . . . . 88 ILE CB . 53608 2
113 . 1 . 1 88 88 ILE N N 15 122.7226257 0.007507212399 . . . . . . . 88 ILE N . 53608 2
114 . 1 . 1 89 89 ALA H H 1 8.324407033 0.003317158782 . . . . . . . 89 ALA H . 53608 2
115 . 1 . 1 89 89 ALA C C 13 177.5524139 . . . . . . . . 89 ALA C . 53608 2
116 . 1 . 1 89 89 ALA CA C 13 52.50142574 0.03563653367 . . . . . . . 89 ALA CA . 53608 2
117 . 1 . 1 89 89 ALA CB C 13 19.14987183 . . . . . . . . 89 ALA CB . 53608 2
118 . 1 . 1 89 89 ALA N N 15 128.1726467 0.02028352827 . . . . . . . 89 ALA N . 53608 2
119 . 1 . 1 90 90 ALA H H 1 8.207376268 0.02776031104 . . . . . . . 90 ALA H . 53608 2
120 . 1 . 1 90 90 ALA C C 13 177.7173462 . . . . . . . . 90 ALA C . 53608 2
121 . 1 . 1 90 90 ALA CA C 13 52.5375473 0.1168389321 . . . . . . . 90 ALA CA . 53608 2
122 . 1 . 1 90 90 ALA CB C 13 19.20715904 0.1767597198 . . . . . . . 90 ALA CB . 53608 2
123 . 1 . 1 90 90 ALA N N 15 123.4059097 0.1473401567 . . . . . . . 90 ALA N . 53608 2
124 . 1 . 1 91 91 ALA H H 1 8.263013946 0.003965753745 . . . . . . . 91 ALA H . 53608 2
125 . 1 . 1 91 91 ALA C C 13 178.0822906 . . . . . . . . 91 ALA C . 53608 2
126 . 1 . 1 91 91 ALA CA C 13 52.58665466 0.0957537095 . . . . . . . 91 ALA CA . 53608 2
127 . 1 . 1 91 91 ALA CB C 13 19.2136879 0.09426879883 . . . . . . . 91 ALA CB . 53608 2
128 . 1 . 1 91 91 ALA N N 15 123.4 0.0000019 . . . . . . . 91 ALA N . 53608 2
129 . 1 . 1 92 92 THR H H 1 8.074551446 0.004538829267 . . . . . . . 92 THR H . 53608 2
130 . 1 . 1 92 92 THR C C 13 175.0888214 . . . . . . . . 92 THR C . 53608 2
131 . 1 . 1 92 92 THR CA C 13 61.9682951 0.01586333072 . . . . . . . 92 THR CA . 53608 2
132 . 1 . 1 92 92 THR CB C 13 69.81910706 . . . . . . . . 92 THR CB . 53608 2
133 . 1 . 1 92 92 THR N N 15 112.6309084 0.009286812723 . . . . . . . 92 THR N . 53608 2
134 . 1 . 1 93 93 GLY H H 1 8.284477234 0.01031388874 . . . . . . . 93 GLY H . 53608 2
135 . 1 . 1 93 93 GLY C C 13 173.6496735 . . . . . . . . 93 GLY C . 53608 2
136 . 1 . 1 93 93 GLY CA C 13 45.11929035 0.08000308755 . . . . . . . 93 GLY CA . 53608 2
137 . 1 . 1 93 93 GLY N N 15 110.6159853 0.05609414075 . . . . . . . 93 GLY N . 53608 2
138 . 1 . 1 94 94 PHE H H 1 8.07883358 0.005217677313 . . . . . . . 94 PHE H . 53608 2
139 . 1 . 1 94 94 PHE C C 13 175.430069 . . . . . . . . 94 PHE C . 53608 2
140 . 1 . 1 94 94 PHE CA C 13 57.77525234 0.1098281554 . . . . . . . 94 PHE CA . 53608 2
141 . 1 . 1 94 94 PHE CB C 13 39.73107529 . . . . . . . . 94 PHE CB . 53608 2
142 . 1 . 1 94 94 PHE N N 15 120.342875 0 . . . . . . . 94 PHE N . 53608 2
143 . 1 . 1 95 95 VAL H H 1 8.037212781 0.007909473104 . . . . . . . 95 VAL H . 53608 2
144 . 1 . 1 95 95 VAL C C 13 175.345871 . . . . . . . . 95 VAL C . 53608 2
145 . 1 . 1 95 95 VAL CA C 13 61.85714245 0.1063340831 . . . . . . . 95 VAL CA . 53608 2
146 . 1 . 1 95 95 VAL CB C 13 32.78966522 . . . . . . . . 95 VAL CB . 53608 2
147 . 1 . 1 95 95 VAL N N 15 123.7220078 0.01433584086 . . . . . . . 95 VAL N . 53608 2
148 . 1 . 1 96 96 LYS H H 1 8.370132038 0.007018888734 . . . . . . . 96 LYS H . 53608 2
149 . 1 . 1 96 96 LYS C C 13 175.345871 . . . . . . . . 96 LYS C . 53608 2
150 . 1 . 1 96 96 LYS CA C 13 56.27285767 . . . . . . . . 96 LYS CA . 53608 2
151 . 1 . 1 96 96 LYS N N 15 126.6 0.0000019 . . . . . . . 96 LYS N . 53608 2
152 . 1 . 1 99 99 GLN H H 1 8.340594985 0.01893509663 . . . . . . . 99 GLN H . 53608 2
153 . 1 . 1 99 99 GLN C C 13 176.1633606 . . . . . . . . 99 GLN C . 53608 2
154 . 1 . 1 99 99 GLN CA C 13 55.90359688 0.1870632172 . . . . . . . 99 GLN CA . 53608 2
155 . 1 . 1 99 99 GLN CB C 13 30.0201416 . . . . . . . . 99 GLN CB . 53608 2
156 . 1 . 1 99 99 GLN N N 15 120.1 0 . . . . . . . 99 GLN N . 53608 2
157 . 1 . 1 101 101 GLY H H 1 8.480099077 0.01040405318 . . . . . . . 101 GLY H . 53608 2
158 . 1 . 1 101 101 GLY C C 13 174.0977131 0.04642833334 . . . . . . . 101 GLY C . 53608 2
159 . 1 . 1 101 101 GLY CA C 13 45.26464056 0.1042126377 . . . . . . . 101 GLY CA . 53608 2
160 . 1 . 1 101 101 GLY N N 15 109.8795372 0.06382857558 . . . . . . . 101 GLY N . 53608 2
161 . 1 . 1 102 102 LYS H H 1 8.18880341 0.01685942479 . . . . . . . 102 LYS H . 53608 2
162 . 1 . 1 102 102 LYS C C 13 176.4465849 0.01355569447 . . . . . . . 102 LYS C . 53608 2
163 . 1 . 1 102 102 LYS CA C 13 56.19768751 0.0638478256 . . . . . . . 102 LYS CA . 53608 2
164 . 1 . 1 102 102 LYS CB C 13 33.08193529 0.116610947 . . . . . . . 102 LYS CB . 53608 2
165 . 1 . 1 102 102 LYS N N 15 120.8042028 0.06111057861 . . . . . . . 102 LYS N . 53608 2
166 . 1 . 1 103 103 ASN H H 1 8.595619003 0.01449353574 . . . . . . . 103 ASN H . 53608 2
167 . 1 . 1 103 103 ASN C C 13 175.1965561 0.02095794678 . . . . . . . 103 ASN C . 53608 2
168 . 1 . 1 103 103 ASN CA C 13 53.18871689 0.1764161188 . . . . . . . 103 ASN CA . 53608 2
169 . 1 . 1 103 103 ASN CB C 13 38.84094238 0.03240375984 . . . . . . . 103 ASN CB . 53608 2
170 . 1 . 1 103 103 ASN N N 15 120.0439092 0.08176505402 . . . . . . . 103 ASN N . 53608 2
171 . 1 . 1 104 104 GLU H H 1 8.468455474 0.01472040333 . . . . . . . 104 GLU H . 53608 2
172 . 1 . 1 104 104 GLU C C 13 176.5017242 0.0003356933594 . . . . . . . 104 GLU C . 53608 2
173 . 1 . 1 104 104 GLU CA C 13 56.40732444 0.1176834035 . . . . . . . 104 GLU CA . 53608 2
174 . 1 . 1 104 104 GLU CB C 13 30.20867387 0.05421268253 . . . . . . . 104 GLU CB . 53608 2
175 . 1 . 1 104 104 GLU N N 15 121.6756746 0.1285969684 . . . . . . . 104 GLU N . 53608 2
176 . 1 . 1 105 105 GLU H H 1 8.461069237 0.005725237392 . . . . . . . 105 GLU H . 53608 2
177 . 1 . 1 105 105 GLU C C 13 176.5395851 . . . . . . . . 105 GLU C . 53608 2
178 . 1 . 1 105 105 GLU CA C 13 56.72240659 0.1458144649 . . . . . . . 105 GLU CA . 53608 2
179 . 1 . 1 105 105 GLU CB C 13 30.87257195 . . . . . . . . 105 GLU CB . 53608 2
180 . 1 . 1 105 105 GLU N N 15 122.1636646 0.07136127472 . . . . . . . 105 GLU N . 53608 2
181 . 1 . 1 107 107 ALA H H 1 8.158644043 0.01652892659 . . . . . . . 107 ALA H . 53608 2
182 . 1 . 1 107 107 ALA C C 13 173.3672843 . . . . . . . . 107 ALA C . 53608 2
183 . 1 . 1 107 107 ALA CA C 13 50.46895599 0.027373198 . . . . . . . 107 ALA CA . 53608 2
184 . 1 . 1 107 107 ALA CB C 13 18.15491486 . . . . . . . . 107 ALA CB . 53608 2
185 . 1 . 1 107 107 ALA N N 15 125.0581137 0.02581545093 . . . . . . . 107 ALA N . 53608 2
186 . 1 . 1 109 109 GLN H H 1 8.589262087 0.007489414182 . . . . . . . 109 GLN H . 53608 2
187 . 1 . 1 109 109 GLN C C 13 175.9755162 0.02013291177 . . . . . . . 109 GLN C . 53608 2
188 . 1 . 1 109 109 GLN CA C 13 55.75071403 0.1729761181 . . . . . . . 109 GLN CA . 53608 2
189 . 1 . 1 109 109 GLN CB C 13 30.00063108 0.2046074815 . . . . . . . 109 GLN CB . 53608 2
190 . 1 . 1 109 109 GLN N N 15 121.2977594 0.03301959929 . . . . . . . 109 GLN N . 53608 2
191 . 1 . 1 110 110 GLU H H 1 8.516891782 0.008804776169 . . . . . . . 110 GLU H . 53608 2
192 . 1 . 1 110 110 GLU C C 13 175.9956491 . . . . . . . . 110 GLU C . 53608 2
193 . 1 . 1 110 110 GLU CA C 13 56.6628952 0.1120283464 . . . . . . . 110 GLU CA . 53608 2
194 . 1 . 1 110 110 GLU CB C 13 30.25047493 . . . . . . . . 110 GLU CB . 53608 2
195 . 1 . 1 110 110 GLU N N 15 122.7491119 0.06473062767 . . . . . . . 110 GLU N . 53608 2
196 . 1 . 1 112 112 ILE H H 1 8.020907134 0.0118258814 . . . . . . . 112 ILE H . 53608 2
197 . 1 . 1 112 112 ILE C C 13 176.2417863 0.01848915115 . . . . . . . 112 ILE C . 53608 2
198 . 1 . 1 112 112 ILE CA C 13 60.97017592 0.1612368574 . . . . . . . 112 ILE CA . 53608 2
199 . 1 . 1 112 112 ILE CB C 13 38.580777 0.2221155891 . . . . . . . 112 ILE CB . 53608 2
200 . 1 . 1 112 112 ILE N N 15 120.3283835 0.04601052226 . . . . . . . 112 ILE N . 53608 2
201 . 1 . 1 113 113 LEU H H 1 8.405967196 0.003920116115 . . . . . . . 113 LEU H . 53608 2
202 . 1 . 1 113 113 LEU C C 13 177.0997722 0 . . . . . . . 113 LEU C . 53608 2
203 . 1 . 1 113 113 LEU CA C 13 54.87650746 0.1822905822 . . . . . . . 113 LEU CA . 53608 2
204 . 1 . 1 113 113 LEU CB C 13 42.2337184 0.09104272617 . . . . . . . 113 LEU CB . 53608 2
205 . 1 . 1 113 113 LEU N N 15 127.253836 0.06594169461 . . . . . . . 113 LEU N . 53608 2
206 . 1 . 1 114 114 GLU H H 1 8.414852433 0.01172089459 . . . . . . . 114 GLU H . 53608 2
207 . 1 . 1 114 114 GLU C C 13 175.8546143 0.009002685547 . . . . . . . 114 GLU C . 53608 2
208 . 1 . 1 114 114 GLU CA C 13 56.37681122 0.05145249452 . . . . . . . 114 GLU CA . 53608 2
209 . 1 . 1 114 114 GLU CB C 13 30.43597654 0.1383326824 . . . . . . . 114 GLU CB . 53608 2
210 . 1 . 1 114 114 GLU N N 15 122.458282 0.04219307989 . . . . . . . 114 GLU N . 53608 2
211 . 1 . 1 115 115 ASP H H 1 8.358400581 0.009121181123 . . . . . . . 115 ASP H . 53608 2
212 . 1 . 1 115 115 ASP C C 13 175.759964 0.01655578613 . . . . . . . 115 ASP C . 53608 2
213 . 1 . 1 115 115 ASP CA C 13 54.32644537 0.3219468808 . . . . . . . 115 ASP CA . 53608 2
214 . 1 . 1 115 115 ASP CB C 13 41.04060745 0.09202114656 . . . . . . . 115 ASP CB . 53608 2
215 . 1 . 1 115 115 ASP N N 15 121.6952047 0.07026831469 . . . . . . . 115 ASP N . 53608 2
216 . 1 . 1 116 116 MET H H 1 8.25450627 0.01643256443 . . . . . . . 116 MET H . 53608 2
217 . 1 . 1 116 116 MET C C 13 175.774619 . . . . . . . . 116 MET C . 53608 2
218 . 1 . 1 116 116 MET CA C 13 53.23385111 0.1693948153 . . . . . . . 116 MET CA . 53608 2
219 . 1 . 1 116 116 MET CB C 13 29.79915047 . . . . . . . . 116 MET CB . 53608 2
220 . 1 . 1 116 116 MET N N 15 122.037228 0.2157211906 . . . . . . . 116 MET N . 53608 2
221 . 1 . 1 118 118 VAL H H 1 8.293473773 0.005460882151 . . . . . . . 118 VAL H . 53608 2
222 . 1 . 1 118 118 VAL C C 13 175.757602 0 . . . . . . . 118 VAL C . 53608 2
223 . 1 . 1 118 118 VAL CA C 13 61.83429803 0.09039043118 . . . . . . . 118 VAL CA . 53608 2
224 . 1 . 1 118 118 VAL CB C 13 32.91014338 0.1907007944 . . . . . . . 118 VAL CB . 53608 2
225 . 1 . 1 118 118 VAL N N 15 120.9946054 0.04463151913 . . . . . . . 118 VAL N . 53608 2
226 . 1 . 1 119 119 ASP H H 1 8.515540519 0.004067022396 . . . . . . . 119 ASP H . 53608 2
227 . 1 . 1 119 119 ASP C C 13 175.757602 . . . . . . . . 119 ASP C . 53608 2
228 . 1 . 1 119 119 ASP CA C 13 52.17792977 0.06309154926 . . . . . . . 119 ASP CA . 53608 2
229 . 1 . 1 119 119 ASP CB C 13 41.17004776 . . . . . . . . 119 ASP CB . 53608 2
230 . 1 . 1 119 119 ASP N N 15 126.1672788 0.04324565604 . . . . . . . 119 ASP N . 53608 2
231 . 1 . 1 121 121 ASP H H 1 8.373937458 0.009756368265 . . . . . . . 121 ASP H . 53608 2
232 . 1 . 1 121 121 ASP C C 13 176.1245968 0 . . . . . . . 121 ASP C . 53608 2
233 . 1 . 1 121 121 ASP CA C 13 54.48833093 0.09117376851 . . . . . . . 121 ASP CA . 53608 2
234 . 1 . 1 121 121 ASP CB C 13 40.76721092 0.08183137116 . . . . . . . 121 ASP CB . 53608 2
235 . 1 . 1 121 121 ASP N N 15 119.4247246 0.04321691512 . . . . . . . 121 ASP N . 53608 2
236 . 1 . 1 122 122 ASN H H 1 8.121957826 0.009924406025 . . . . . . . 122 ASN H . 53608 2
237 . 1 . 1 122 122 ASN C C 13 175.3453598 0.01273345947 . . . . . . . 122 ASN C . 53608 2
238 . 1 . 1 122 122 ASN CA C 13 53.40706291 0.07908141823 . . . . . . . 122 ASN CA . 53608 2
239 . 1 . 1 122 122 ASN CB C 13 39.25394821 0.08177283295 . . . . . . . 122 ASN CB . 53608 2
240 . 1 . 1 122 122 ASN N N 15 119.1680558 0.03793797825 . . . . . . . 122 ASN N . 53608 2
241 . 1 . 1 123 123 GLU H H 1 8.366198752 0.01203173041 . . . . . . . 123 GLU H . 53608 2
242 . 1 . 1 123 123 GLU C C 13 176.0312325 0.009900671963 . . . . . . . 123 GLU C . 53608 2
243 . 1 . 1 123 123 GLU CA C 13 56.78678088 0.06901462397 . . . . . . . 123 GLU CA . 53608 2
244 . 1 . 1 123 123 GLU CB C 13 30.18063162 0.2164190065 . . . . . . . 123 GLU CB . 53608 2
245 . 1 . 1 123 123 GLU N N 15 121.7451464 0.08309591442 . . . . . . . 123 GLU N . 53608 2
246 . 1 . 1 124 124 ALA H H 1 8.213693402 0.008944513171 . . . . . . . 124 ALA H . 53608 2
247 . 1 . 1 124 124 ALA C C 13 177.157959 0.00944519043 . . . . . . . 124 ALA C . 53608 2
248 . 1 . 1 124 124 ALA CA C 13 52.27349139 0.08316180061 . . . . . . . 124 ALA CA . 53608 2
249 . 1 . 1 124 124 ALA CB C 13 19.14283127 0.06468991766 . . . . . . . 124 ALA CB . 53608 2
250 . 1 . 1 124 124 ALA N N 15 124.5333221 0.02722702143 . . . . . . . 124 ALA N . 53608 2
251 . 1 . 1 125 125 TYR H H 1 8.023256871 0.002577182099 . . . . . . . 125 TYR H . 53608 2
252 . 1 . 1 125 125 TYR C C 13 175.2854309 0 . . . . . . . 125 TYR C . 53608 2
253 . 1 . 1 125 125 TYR CA C 13 57.68335888 0.1076737391 . . . . . . . 125 TYR CA . 53608 2
254 . 1 . 1 125 125 TYR CB C 13 38.96244847 0.08491311437 . . . . . . . 125 TYR CB . 53608 2
255 . 1 . 1 125 125 TYR N N 15 120.148648 0.07742104847 . . . . . . . 125 TYR N . 53608 2
256 . 1 . 1 126 126 GLU H H 1 8.133313753 0.01030693431 . . . . . . . 126 GLU H . 53608 2
257 . 1 . 1 126 126 GLU C C 13 175.3550415 0.009490966797 . . . . . . . 126 GLU C . 53608 2
258 . 1 . 1 126 126 GLU CA C 13 55.60874696 0.07008947233 . . . . . . . 126 GLU CA . 53608 2
259 . 1 . 1 126 126 GLU CB C 13 30.7248401 0.07048116668 . . . . . . . 126 GLU CB . 53608 2
260 . 1 . 1 126 126 GLU N N 15 123.9450475 0.06574297096 . . . . . . . 126 GLU N . 53608 2
261 . 1 . 1 127 127 MET H H 1 8.412215191 0.004525603977 . . . . . . . 127 MET H . 53608 2
262 . 1 . 1 127 127 MET C C 13 175.3547163 . . . . . . . . 127 MET C . 53608 2
263 . 1 . 1 127 127 MET CA C 13 53.18213523 0.09617481061 . . . . . . . 127 MET CA . 53608 2
264 . 1 . 1 127 127 MET CB C 13 32.33535385 . . . . . . . . 127 MET CB . 53608 2
265 . 1 . 1 127 127 MET N N 15 123.9888784 0.06461424718 . . . . . . . 127 MET N . 53608 2
266 . 1 . 1 129 129 SER H H 1 8.482811239 0.003601436582 . . . . . . . 129 SER H . 53608 2
267 . 1 . 1 129 129 SER C C 13 174.7542496 0.01110076904 . . . . . . . 129 SER C . 53608 2
268 . 1 . 1 129 129 SER CA C 13 58.25638452 0.07632891071 . . . . . . . 129 SER CA . 53608 2
269 . 1 . 1 129 129 SER CB C 13 63.99819756 0.176162396 . . . . . . . 129 SER CB . 53608 2
270 . 1 . 1 129 129 SER N N 15 116.9045052 0.030285489 . . . . . . . 129 SER N . 53608 2
271 . 1 . 1 130 130 GLU H H 1 8.565501863 0.003986351288 . . . . . . . 130 GLU H . 53608 2
272 . 1 . 1 130 130 GLU C C 13 176.4908752 0.008438110352 . . . . . . . 130 GLU C . 53608 2
273 . 1 . 1 130 130 GLU CA C 13 56.42963785 0.166300144 . . . . . . . 130 GLU CA . 53608 2
274 . 1 . 1 130 130 GLU CB C 13 30.1423038 0.1998353598 . . . . . . . 130 GLU CB . 53608 2
275 . 1 . 1 130 130 GLU N N 15 123.239667 0.01053575982 . . . . . . . 130 GLU N . 53608 2
276 . 1 . 1 131 131 GLU H H 1 8.472171799 0.0119858201 . . . . . . . 131 GLU H . 53608 2
277 . 1 . 1 131 131 GLU C C 13 176.9624979 0 . . . . . . . 131 GLU C . 53608 2
278 . 1 . 1 131 131 GLU CA C 13 56.80067911 0.0817741649 . . . . . . . 131 GLU CA . 53608 2
279 . 1 . 1 131 131 GLU CB C 13 30.3132161 0.228895936 . . . . . . . 131 GLU CB . 53608 2
280 . 1 . 1 131 131 GLU N N 15 122.2586407 0.1241409792 . . . . . . . 131 GLU N . 53608 2
281 . 1 . 1 132 132 GLY H H 1 8.408298812 0.004261557285 . . . . . . . 132 GLY H . 53608 2
282 . 1 . 1 132 132 GLY C C 13 173.723606 0.01152407464 . . . . . . . 132 GLY C . 53608 2
283 . 1 . 1 132 132 GLY CA C 13 45.11811588 0.0708542541 . . . . . . . 132 GLY CA . 53608 2
284 . 1 . 1 132 132 GLY N N 15 110.0874763 0.02046365455 . . . . . . . 132 GLY N . 53608 2
285 . 1 . 1 133 133 TYR H H 1 8.025309991 0.01740360293 . . . . . . . 133 TYR H . 53608 2
286 . 1 . 1 133 133 TYR C C 13 175.6872811 0.01980059211 . . . . . . . 133 TYR C . 53608 2
287 . 1 . 1 133 133 TYR CA C 13 58.03876567 0.1449589634 . . . . . . . 133 TYR CA . 53608 2
288 . 1 . 1 133 133 TYR CB C 13 38.80519778 0.1245380218 . . . . . . . 133 TYR CB . 53608 2
289 . 1 . 1 133 133 TYR N N 15 120.3215981 0.04687348764 . . . . . . . 133 TYR N . 53608 2
290 . 1 . 1 134 134 GLN H H 1 8.207642126 0.01203669787 . . . . . . . 134 GLN H . 53608 2
291 . 1 . 1 134 134 GLN C C 13 174.7708526 0.01381825696 . . . . . . . 134 GLN C . 53608 2
292 . 1 . 1 134 134 GLN CA C 13 55.33641399 0.0324096031 . . . . . . . 134 GLN CA . 53608 2
293 . 1 . 1 134 134 GLN CB C 13 29.88352487 0.08455836618 . . . . . . . 134 GLN CB . 53608 2
294 . 1 . 1 134 134 GLN N N 15 122.831359 0.05405022935 . . . . . . . 134 GLN N . 53608 2
295 . 1 . 1 135 135 ASP H H 1 8.222517666 0.006667162901 . . . . . . . 135 ASP H . 53608 2
296 . 1 . 1 135 135 ASP C C 13 175.4773741 0 . . . . . . . 135 ASP C . 53608 2
297 . 1 . 1 135 135 ASP CA C 13 54.11043664 0.1041014159 . . . . . . . 135 ASP CA . 53608 2
298 . 1 . 1 135 135 ASP CB C 13 41.21229931 0.07254911646 . . . . . . . 135 ASP CB . 53608 2
299 . 1 . 1 135 135 ASP N N 15 121.7697315 0.03277126233 . . . . . . . 135 ASP N . 53608 2
300 . 1 . 1 136 136 TYR H H 1 8.022308672 0.004035432135 . . . . . . . 136 TYR H . 53608 2
301 . 1 . 1 136 136 TYR C C 13 175.0467506 0 . . . . . . . 136 TYR C . 53608 2
302 . 1 . 1 136 136 TYR CA C 13 57.51465794 0.1573022734 . . . . . . . 136 TYR CA . 53608 2
303 . 1 . 1 136 136 TYR CB C 13 39.07243717 0.02363474341 . . . . . . . 136 TYR CB . 53608 2
304 . 1 . 1 136 136 TYR N N 15 120.5189631 0.0102044954 . . . . . . . 136 TYR N . 53608 2
305 . 1 . 1 137 137 GLU H H 1 8.247366566 0.006190448692 . . . . . . . 137 GLU H . 53608 2
306 . 1 . 1 137 137 GLU C C 13 175.0467506 . . . . . . . . 137 GLU C . 53608 2
307 . 1 . 1 137 137 GLU CA C 13 53.57295368 0.04785624325 . . . . . . . 137 GLU CA . 53608 2
308 . 1 . 1 137 137 GLU CB C 13 30.27058792 . . . . . . . . 137 GLU CB . 53608 2
309 . 1 . 1 137 137 GLU N N 15 125.4695772 0.03596105699 . . . . . . . 137 GLU N . 53608 2
310 . 1 . 1 139 139 GLU H H 1 8.50686094 0.00847836302 . . . . . . . 139 GLU H . 53608 2
311 . 1 . 1 139 139 GLU C C 13 175.3742725 0 . . . . . . . 139 GLU C . 53608 2
312 . 1 . 1 139 139 GLU CA C 13 56.50852783 0.05133987059 . . . . . . . 139 GLU CA . 53608 2
313 . 1 . 1 139 139 GLU CB C 13 30.13592958 0.08926917974 . . . . . . . 139 GLU CB . 53608 2
314 . 1 . 1 139 139 GLU N N 15 121.6305164 0.09104694489 . . . . . . . 139 GLU N . 53608 2
315 . 1 . 1 140 140 ALA H H 1 7.983299668 0.002782004105 . . . . . . . 140 ALA H . 53608 2
316 . 1 . 1 140 140 ALA C C 13 175.3742725 . . . . . . . . 140 ALA C . 53608 2
317 . 1 . 1 140 140 ALA CA C 13 53.78673425 0.05175049455 . . . . . . . 140 ALA CA . 53608 2
318 . 1 . 1 140 140 ALA CB C 13 20.43322372 . . . . . . . . 140 ALA CB . 53608 2
319 . 1 . 1 140 140 ALA N N 15 131.0032972 0.01529860059 . . . . . . . 140 ALA N . 53608 2
stop_
save_