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 52210
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name Z711-7
_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-1H NOESY' . . . 52210 1
2 '2D 1H-1H TOCSY' . . . 52210 1
3 '2D 1H-15N HSQC' . . . 52210 1
4 '2D 1H-13C HSQC' . . . 52210 1
5 '2D DQF-COSY' . . . 52210 1
6 '2D 1H-1H TOCSY' . . . 52210 1
7 '2D 1H-1H NOESY' . . . 52210 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 . . 52210 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 1 1 TYR H H 1 7.197037025 0.0014578107 . 1 . . . . . 1 TYR H . 52210 1
2 . 1 . 1 1 1 TYR HA H 1 4.568839213 0.0788967739 . 1 . . . . . 1 TYR HA . 52210 1
3 . 1 . 1 1 1 TYR HB2 H 1 2.90879657 0.0497038635 . 2 . . . . . 1 TYR HB2 . 52210 1
4 . 1 . 1 1 1 TYR HB3 H 1 2.979076497 0.0784138106 . 2 . . . . . 1 TYR HB3 . 52210 1
5 . 1 . 1 1 1 TYR HD1 H 1 6.969515671 0.0396308392 . 3 . . . . . 1 TYR HD# . 52210 1
6 . 1 . 1 1 1 TYR HD2 H 1 6.969515671 0.0396308392 . 3 . . . . . 1 TYR HD# . 52210 1
7 . 1 . 1 1 1 TYR HE1 H 1 6.813453241 0.0069638984 . 3 . . . . . 1 TYR HE# . 52210 1
8 . 1 . 1 1 1 TYR HE2 H 1 6.813453241 0.0069638984 . 3 . . . . . 1 TYR HE# . 52210 1
9 . 1 . 1 1 1 TYR CA C 13 55.16493079 0 . 1 . . . . . 1 TYR CA . 52210 1
10 . 1 . 1 1 1 TYR CB C 13 41.1309049 0.0129020363 . 1 . . . . . 1 TYR CB . 52210 1
11 . 1 . 1 1 1 TYR N N 15 120.1833084 0 . 1 . . . . . 1 TYR N . 52210 1
12 . 1 . 1 2 2 LYS H H 1 8.544064792 0.0119147309 . 1 . . . . . 2 LYS H . 52210 1
13 . 1 . 1 2 2 LYS HA H 1 4.626170591 0.0109492565 . 1 . . . . . 2 LYS HA . 52210 1
14 . 1 . 1 2 2 LYS HB2 H 1 1.737040362 0.0039177876 . 2 . . . . . 2 LYS HB2 . 52210 1
15 . 1 . 1 2 2 LYS HB3 H 1 1.832652456 0.0415512229 . 2 . . . . . 2 LYS HB3 . 52210 1
16 . 1 . 1 2 2 LYS HG2 H 1 1.287571037 0.070952174 . 2 . . . . . 2 LYS HG2 . 52210 1
17 . 1 . 1 2 2 LYS HG3 H 1 1.479923897 0.0022068658 . 2 . . . . . 2 LYS HG3 . 52210 1
18 . 1 . 1 2 2 LYS HD2 H 1 1.644951239 0.0255309199 . 2 . . . . . 2 LYS HD2 . 52210 1
19 . 1 . 1 2 2 LYS HD3 H 1 1.691274962 0.0001185482 . 2 . . . . . 2 LYS HD3 . 52210 1
20 . 1 . 1 2 2 LYS HE2 H 1 3.135661788 0.0815300471 . 2 . . . . . 2 LYS HE2 . 52210 1
21 . 1 . 1 2 2 LYS CA C 13 53.55112057 0 . 1 . . . . . 2 LYS CA . 52210 1
22 . 1 . 1 2 2 LYS CB C 13 34.02427485 0.017083789 . 1 . . . . . 2 LYS CB . 52210 1
23 . 1 . 1 2 2 LYS CG C 13 23.58607978 0.017083789 . 1 . . . . . 2 LYS CG . 52210 1
24 . 1 . 1 2 2 LYS CD C 13 28.38828656 0.00437345 . 1 . . . . . 2 LYS CD . 52210 1
25 . 1 . 1 2 2 LYS CE C 13 42.39182277 0 . 1 . . . . . 2 LYS CE . 52210 1
26 . 1 . 1 2 2 LYS N N 15 125.9967035 0 . 1 . . . . . 2 LYS N . 52210 1
27 . 1 . 1 3 3 CYS H H 1 7.821010321 0.0018089754 . 1 . . . . . 3 CYS H . 52210 1
28 . 1 . 1 3 3 CYS HA H 1 4.588484757 0.0163530127 . 1 . . . . . 3 CYS HA . 52210 1
29 . 1 . 1 3 3 CYS HB2 H 1 2.771870474 0.0519016245 . 2 . . . . . 3 CYS HB2 . 52210 1
30 . 1 . 1 3 3 CYS HB3 H 1 3.459013536 0.0740100502 . 2 . . . . . 3 CYS HB3 . 52210 1
31 . 1 . 1 3 3 CYS CA C 13 55.52036059 0 . 1 . . . . . 3 CYS CA . 52210 1
32 . 1 . 1 3 3 CYS CB C 13 27.87843681 0.0303997247 . 1 . . . . . 3 CYS CB . 52210 1
33 . 1 . 1 3 3 CYS N N 15 131.2273295 0 . 1 . . . . . 3 CYS N . 52210 1
34 . 1 . 1 4 4 GLU H H 1 8.723326056 0.0240847173 . 1 . . . . . 4 GLU H . 52210 1
35 . 1 . 1 4 4 GLU HA H 1 4.160037592 0.0279227945 . 1 . . . . . 4 GLU HA . 52210 1
36 . 1 . 1 4 4 GLU HB2 H 1 2.01818342 0.0186680156 . 2 . . . . . 4 GLU HB2 . 52210 1
37 . 1 . 1 4 4 GLU HB3 H 1 2.062170374 0.0402466247 . 2 . . . . . 4 GLU HB3 . 52210 1
38 . 1 . 1 4 4 GLU HG2 H 1 2.271834511 0.0008745627 . 2 . . . . . 4 GLU HG2 . 52210 1
39 . 1 . 1 4 4 GLU HG3 H 1 2.299426879 0.0356341673 . 2 . . . . . 4 GLU HG3 . 52210 1
40 . 1 . 1 4 4 GLU CA C 13 54.92756888 0 . 1 . . . . . 4 GLU CA . 52210 1
41 . 1 . 1 4 4 GLU CB C 13 28.14816319 0 . 1 . . . . . 4 GLU CB . 52210 1
42 . 1 . 1 4 4 GLU CG C 13 35.45190458 0 . 1 . . . . . 4 GLU CG . 52210 1
43 . 1 . 1 4 4 GLU N N 15 120.5969356 0 . 1 . . . . . 4 GLU N . 52210 1
44 . 1 . 1 5 5 HIS H H 1 8.179588696 0.0274219032 . 1 . . . . . 5 HIS H . 52210 1
45 . 1 . 1 5 5 HIS HA H 1 4.559759834 0.0015491257 . 1 . . . . . 5 HIS HA . 52210 1
46 . 1 . 1 5 5 HIS HB2 H 1 3.020917143 0.0123449109 . 2 . . . . . 5 HIS HB2 . 52210 1
47 . 1 . 1 5 5 HIS HB3 H 1 3.15347268 0.0205300804 . 2 . . . . . 5 HIS HB3 . 52210 1
48 . 1 . 1 5 5 HIS HD2 H 1 7.08 0.05 . 1 . . . . . 5 HIS HD2 . 52210 1
49 . 1 . 1 5 5 HIS HE1 H 1 8.23 0.05 . 1 . . . . . 5 HIS HE1 . 52210 1
50 . 1 . 1 5 5 HIS CA C 13 53.69627325 0 . 1 . . . . . 5 HIS CA . 52210 1
51 . 1 . 1 5 5 HIS CB C 13 28.85102463 0 . 1 . . . . . 5 HIS CB . 52210 1
52 . 1 . 1 5 5 HIS N N 15 123.5839791 0 . 1 . . . . . 5 HIS N . 52210 1
53 . 1 . 1 6 6 CYS H H 1 7.888552847 0.0333769918 . 1 . . . . . 6 CYS H . 52210 1
54 . 1 . 1 6 6 CYS HA H 1 4.855081486 0.0293264859 . 1 . . . . . 6 CYS HA . 52210 1
55 . 1 . 1 6 6 CYS HB2 H 1 2.566986508 0.0060895529 . 2 . . . . . 6 CYS HB2 . 52210 1
56 . 1 . 1 6 6 CYS HB3 H 1 3.210677485 0.0246797819 . 2 . . . . . 6 CYS HB3 . 52210 1
57 . 1 . 1 6 6 CYS CA C 13 57.27062639 0 . 1 . . . . . 6 CYS CA . 52210 1
58 . 1 . 1 6 6 CYS CB C 13 29.26375953 0.0347679815 . 1 . . . . . 6 CYS CB . 52210 1
59 . 1 . 1 6 6 CYS N N 15 129.8091355 0 . 1 . . . . . 6 CYS N . 52210 1
60 . 1 . 1 7 7 PRO HA H 1 4.421418187 0.0483696707 . 1 . . . . . 7 PRO HA . 52210 1
61 . 1 . 1 7 7 PRO HB2 H 1 1.937404069 0 . 2 . . . . . 7 PRO HB2 . 52210 1
62 . 1 . 1 7 7 PRO HB3 H 1 2.246919554 0.0660165408 . 2 . . . . . 7 PRO HB3 . 52210 1
63 . 1 . 1 7 7 PRO HG2 H 1 1.862612956 0.0453306404 . 2 . . . . . 7 PRO HG2 . 52210 1
64 . 1 . 1 7 7 PRO HD2 H 1 3.524431601 0.025049934 . 2 . . . . . 7 PRO HD2 . 52210 1
65 . 1 . 1 7 7 PRO HD3 H 1 3.697968701 0.0483028511 . 2 . . . . . 7 PRO HD3 . 52210 1
66 . 1 . 1 7 7 PRO CA C 13 63.12294227 0 . 1 . . . . . 7 PRO CA . 52210 1
67 . 1 . 1 7 7 PRO CB C 13 31.09022455 0.0104243836 . 1 . . . . . 7 PRO CB . 52210 1
68 . 1 . 1 7 7 PRO CG C 13 26.54902945 0 . 1 . . . . . 7 PRO CG . 52210 1
69 . 1 . 1 7 7 PRO CD C 13 49.80363247 0.035453821 . 1 . . . . . 7 PRO CD . 52210 1
70 . 1 . 1 8 8 GLN H H 1 8.140046308 0.0309436085 . 1 . . . . . 8 GLN H . 52210 1
71 . 1 . 1 8 8 GLN HA H 1 3.729069112 0.0499506265 . 1 . . . . . 8 GLN HA . 52210 1
72 . 1 . 1 8 8 GLN HB2 H 1 2.000776995 0.050618921 . 2 . . . . . 8 GLN HB2 . 52210 1
73 . 1 . 1 8 8 GLN HB3 H 1 2.123823452 0.0340038264 . 2 . . . . . 8 GLN HB3 . 52210 1
74 . 1 . 1 8 8 GLN HG2 H 1 2.367134379 0.0262523038 . 2 . . . . . 8 GLN HG2 . 52210 1
75 . 1 . 1 8 8 GLN CA C 13 58.17826317 0 . 1 . . . . . 8 GLN CA . 52210 1
76 . 1 . 1 8 8 GLN CB C 13 28.9529829 0.0156797111 . 1 . . . . . 8 GLN CB . 52210 1
77 . 1 . 1 8 8 GLN CG C 13 32.9199498 0 . 1 . . . . . 8 GLN CG . 52210 1
78 . 1 . 1 8 8 GLN N N 15 116.6502624 0 . 1 . . . . . 8 GLN N . 52210 1
79 . 1 . 1 9 9 ALA H H 1 7.660401513 0.0358792751 . 1 . . . . . 9 ALA H . 52210 1
80 . 1 . 1 9 9 ALA HA H 1 4.724953901 0.0220283405 . 1 . . . . . 9 ALA HA . 52210 1
81 . 1 . 1 9 9 ALA HB1 H 1 1.103989239 0.0622387842 . 1 . . . . . 9 ALA HB# . 52210 1
82 . 1 . 1 9 9 ALA HB2 H 1 1.103989239 0.0622387842 . 1 . . . . . 9 ALA HB# . 52210 1
83 . 1 . 1 9 9 ALA HB3 H 1 1.103989239 0.0622387842 . 1 . . . . . 9 ALA HB# . 52210 1
84 . 1 . 1 9 9 ALA CA C 13 49.48127851 0 . 1 . . . . . 9 ALA CA . 52210 1
85 . 1 . 1 9 9 ALA CB C 13 20.97377393 0 . 1 . . . . . 9 ALA CB . 52210 1
86 . 1 . 1 9 9 ALA N N 15 128.5860803 0 . 1 . . . . . 9 ALA N . 52210 1
87 . 1 . 1 10 10 PHE H H 1 8.501439539 0.0289183228 . 1 . . . . . 10 PHE H . 52210 1
88 . 1 . 1 10 10 PHE HA H 1 4.772033641 0.0418574601 . 1 . . . . . 10 PHE HA . 52210 1
89 . 1 . 1 10 10 PHE HB2 H 1 2.684504659 0.028052947 . 2 . . . . . 10 PHE HB2 . 52210 1
90 . 1 . 1 10 10 PHE HB3 H 1 3.417264692 0.0292808483 . 2 . . . . . 10 PHE HB3 . 52210 1
91 . 1 . 1 10 10 PHE HD1 H 1 6.829930728 0.0362310249 . 1 . . . . . 10 PHE HD1 . 52210 1
92 . 1 . 1 10 10 PHE HD2 H 1 5.869533977 0.0410653854 . 1 . . . . . 10 PHE HD2 . 52210 1
93 . 1 . 1 10 10 PHE HE1 H 1 6.052648661 0.0033954653 . 1 . . . . . 10 PHE HE1 . 52210 1
94 . 1 . 1 10 10 PHE HE2 H 1 6.174424806 0.031975455 . 1 . . . . . 10 PHE HE2 . 52210 1
95 . 1 . 1 10 10 PHE HZ H 1 6.997258763 0.1302988441 . 1 . . . . . 10 PHE HZ . 52210 1
96 . 1 . 1 10 10 PHE CA C 13 54.63042181 0 . 1 . . . . . 10 PHE CA . 52210 1
97 . 1 . 1 10 10 PHE CB C 13 42.57404519 0.0176869942 . 1 . . . . . 10 PHE CB . 52210 1
98 . 1 . 1 10 10 PHE N N 15 124.1282989 0 . 1 . . . . . 10 PHE N . 52210 1
99 . 1 . 1 11 11 GLY H H 1 9.214661541 0.0102736071 . 1 . . . . . 11 GLY H . 52210 1
100 . 1 . 1 11 11 GLY HA2 H 1 3.941822196 0.0366388221 . 2 . . . . . 11 GLY HA2 . 52210 1
101 . 1 . 1 11 11 GLY HA3 H 1 4.217840976 0.0437670616 . 2 . . . . . 11 GLY HA3 . 52210 1
102 . 1 . 1 11 11 GLY CA C 13 45.36761409 0.0136586594 . 1 . . . . . 11 GLY CA . 52210 1
103 . 1 . 1 11 11 GLY N N 15 104.4849373 0 . 1 . . . . . 11 GLY N . 52210 1
104 . 1 . 1 12 12 ASP H H 1 7.473970745 0.0140928612 . 1 . . . . . 12 ASP H . 52210 1
105 . 1 . 1 12 12 ASP HA H 1 4.507683108 0.0404755858 . 1 . . . . . 12 ASP HA . 52210 1
106 . 1 . 1 12 12 ASP HB2 H 1 3.200243233 0.0209839762 . 1 . . . . . 12 ASP HB2 . 52210 1
107 . 1 . 1 12 12 ASP HB3 H 1 2.779639659 0.0611669799 . 1 . . . . . 12 ASP HB3 . 52210 1
108 . 1 . 1 12 12 ASP CA C 13 51.81708317 0 . 1 . . . . . 12 ASP CA . 52210 1
109 . 1 . 1 12 12 ASP CB C 13 42.66311652 0.0069739949 . 1 . . . . . 12 ASP CB . 52210 1
110 . 1 . 1 12 12 ASP N N 15 114.9631891 0 . 1 . . . . . 12 ASP N . 52210 1
111 . 1 . 1 13 13 GLU H H 1 8.377403728 0.0168754509 . 1 . . . . . 13 GLU H . 52210 1
112 . 1 . 1 13 13 GLU HA H 1 4.390728626 0.0413195491 . 1 . . . . . 13 GLU HA . 52210 1
113 . 1 . 1 13 13 GLU HB2 H 1 1.878154016 0.0331152676 . 2 . . . . . 13 GLU HB2 . 52210 1
114 . 1 . 1 13 13 GLU HB3 H 1 1.953320133 0.0203610208 . 2 . . . . . 13 GLU HB3 . 52210 1
115 . 1 . 1 13 13 GLU HG2 H 1 1.992412603 0.0375969611 . 2 . . . . . 13 GLU HG2 . 52210 1
116 . 1 . 1 13 13 GLU HG3 H 1 2.238817835 0.0604822122 . 2 . . . . . 13 GLU HG3 . 52210 1
117 . 1 . 1 13 13 GLU CA C 13 58.81742979 0 . 1 . . . . . 13 GLU CA . 52210 1
118 . 1 . 1 13 13 GLU CB C 13 27.43766438 0.0188507612 . 1 . . . . . 13 GLU CB . 52210 1
119 . 1 . 1 13 13 GLU CG C 13 35.49127002 0.0377015223 . 1 . . . . . 13 GLU CG . 52210 1
120 . 1 . 1 13 13 GLU N N 15 120.6060516 0 . 1 . . . . . 13 GLU N . 52210 1
121 . 1 . 1 14 14 ARG H H 1 7.849379639 0.0108888577 . 1 . . . . . 14 ARG H . 52210 1
122 . 1 . 1 14 14 ARG HA H 1 4.622996603 0.0140396051 . 1 . . . . . 14 ARG HA . 52210 1
123 . 1 . 1 14 14 ARG HB2 H 1 1.834575938 0.0215567875 . 2 . . . . . 14 ARG HB2 . 52210 1
124 . 1 . 1 14 14 ARG HG2 H 1 1.60786225 0.0287960003 . 2 . . . . . 14 ARG HG2 . 52210 1
125 . 1 . 1 14 14 ARG CB C 13 29.29470839 0 . 1 . . . . . 14 ARG CB . 52210 1
126 . 1 . 1 14 14 ARG CG C 13 26.48895959 0 . 1 . . . . . 14 ARG CG . 52210 1
127 . 1 . 1 14 14 ARG N N 15 120.1412772 0 . 1 . . . . . 14 ARG N . 52210 1
128 . 1 . 1 15 15 GLU H H 1 9.518599445 0.0181389127 . 1 . . . . . 15 GLU H . 52210 1
129 . 1 . 1 15 15 GLU HA H 1 4.623152909 0.0223208061 . 1 . . . . . 15 GLU HA . 52210 1
130 . 1 . 1 15 15 GLU HB2 H 1 2.39924582 0.0451786068 . 2 . . . . . 15 GLU HB2 . 52210 1
131 . 1 . 1 15 15 GLU HB3 H 1 3.044895515 0.0455969586 . 2 . . . . . 15 GLU HB3 . 52210 1
132 . 1 . 1 15 15 GLU HG2 H 1 2.925475202 0.0391197097 . 2 . . . . . 15 GLU HG2 . 52210 1
133 . 1 . 1 15 15 GLU CA C 13 56.98259901 0 . 1 . . . . . 15 GLU CA . 52210 1
134 . 1 . 1 15 15 GLU CB C 13 31.00478132 0.0173839908 . 1 . . . . . 15 GLU CB . 52210 1
135 . 1 . 1 15 15 GLU N N 15 125.9505467 0 . 1 . . . . . 15 GLU N . 52210 1
136 . 1 . 1 16 16 LEU H H 1 11.07099507 0.0057833531 . 1 . . . . . 16 LEU H . 52210 1
137 . 1 . 1 16 16 LEU HA H 1 2.929970943 0.0377514866 . 1 . . . . . 16 LEU HA . 52210 1
138 . 1 . 1 16 16 LEU HB2 H 1 1.364552699 0 . 1 . . . . . 16 LEU HB2 . 52210 1
139 . 1 . 1 16 16 LEU HB3 H 1 1.665674633 0 . 1 . . . . . 16 LEU HB3 . 52210 1
140 . 1 . 1 16 16 LEU HG H 1 1.394387476 0 . 1 . . . . . 16 LEU HG . 52210 1
141 . 1 . 1 16 16 LEU HD11 H 1 0.6264254542 0 . 2 . . . . . 16 LEU HD1# . 52210 1
142 . 1 . 1 16 16 LEU HD12 H 1 0.6264254542 0 . 2 . . . . . 16 LEU HD1# . 52210 1
143 . 1 . 1 16 16 LEU HD13 H 1 0.6264254542 0 . 2 . . . . . 16 LEU HD1# . 52210 1
144 . 1 . 1 16 16 LEU HD21 H 1 0.9275330008 0.0288793147 . 2 . . . . . 16 LEU HD2# . 52210 1
145 . 1 . 1 16 16 LEU HD22 H 1 0.9275330008 0.0288793147 . 2 . . . . . 16 LEU HD2# . 52210 1
146 . 1 . 1 16 16 LEU HD23 H 1 0.9275330008 0.0288793147 . 2 . . . . . 16 LEU HD2# . 52210 1
147 . 1 . 1 16 16 LEU CA C 13 56.32060519 0 . 1 . . . . . 16 LEU CA . 52210 1
148 . 1 . 1 16 16 LEU CB C 13 41.44505655 0.0554629028 . 1 . . . . . 16 LEU CB . 52210 1
149 . 1 . 1 16 16 LEU CG C 13 23.94490715 0 . 1 . . . . . 16 LEU CG . 52210 1
150 . 1 . 1 16 16 LEU CD1 C 13 17.04775086 0 . 2 . . . . . 16 LEU CD1 . 52210 1
151 . 1 . 1 16 16 LEU CD2 C 13 21.06951792 0 . 2 . . . . . 16 LEU CD2 . 52210 1
152 . 1 . 1 17 17 GLN H H 1 9.217071331 0.0205057294 . 1 . . . . . 17 GLN H . 52210 1
153 . 1 . 1 17 17 GLN HA H 1 4.40359762 0.046725144 . 1 . . . . . 17 GLN HA . 52210 1
154 . 1 . 1 17 17 GLN HB2 H 1 1.898515807 0.0352692114 . 2 . . . . . 17 GLN HB2 . 52210 1
155 . 1 . 1 17 17 GLN HB3 H 1 1.981219315 0.0255044928 . 2 . . . . . 17 GLN HB3 . 52210 1
156 . 1 . 1 17 17 GLN HG2 H 1 2.183250564 0.0328537715 . 2 . . . . . 17 GLN HG2 . 52210 1
157 . 1 . 1 17 17 GLN HG3 H 1 2.393239649 0.0214494745 . 2 . . . . . 17 GLN HG3 . 52210 1
158 . 1 . 1 17 17 GLN CA C 13 59.69883196 0 . 1 . . . . . 17 GLN CA . 52210 1
159 . 1 . 1 17 17 GLN CB C 13 28.35015218 0 . 1 . . . . . 17 GLN CB . 52210 1
160 . 1 . 1 17 17 GLN CG C 13 36.09717914 0 . 1 . . . . . 17 GLN CG . 52210 1
161 . 1 . 1 17 17 GLN N N 15 127.3051775 0 . 1 . . . . . 17 GLN N . 52210 1
162 . 1 . 1 18 18 ARG H H 1 8.950595065 0.0455966786 . 1 . . . . . 18 ARG H . 52210 1
163 . 1 . 1 18 18 ARG HA H 1 4.076173433 0.047316223 . 1 . . . . . 18 ARG HA . 52210 1
164 . 1 . 1 18 18 ARG HB2 H 1 1.679896954 0.0348672325 . 2 . . . . . 18 ARG HB2 . 52210 1
165 . 1 . 1 18 18 ARG HB3 H 1 1.934396247 0.0149901826 . 2 . . . . . 18 ARG HB3 . 52210 1
166 . 1 . 1 18 18 ARG HG2 H 1 2.087207445 0.0104651863 . 2 . . . . . 18 ARG HG2 . 52210 1
167 . 1 . 1 18 18 ARG HG3 H 1 2.129065864 0.0092387354 . 2 . . . . . 18 ARG HG3 . 52210 1
168 . 1 . 1 18 18 ARG CA C 13 57.35718328 0 . 1 . . . . . 18 ARG CA . 52210 1
169 . 1 . 1 18 18 ARG CB C 13 29.55072198 0.0210784293 . 1 . . . . . 18 ARG CB . 52210 1
170 . 1 . 1 18 18 ARG CG C 13 26.93699675 0 . 1 . . . . . 18 ARG CG . 52210 1
171 . 1 . 1 18 18 ARG N N 15 118.7307364 0 . 1 . . . . . 18 ARG N . 52210 1
172 . 1 . 1 19 19 HIS H H 1 8.627891275 0.0297807052 . 1 . . . . . 19 HIS H . 52210 1
173 . 1 . 1 19 19 HIS HA H 1 4.846704671 0.0255702008 . 1 . . . . . 19 HIS HA . 52210 1
174 . 1 . 1 19 19 HIS HB2 H 1 2.704276399 0.0236793171 . 2 . . . . . 19 HIS HB2 . 52210 1
175 . 1 . 1 19 19 HIS HB3 H 1 3.443147579 0.0392419886 . 2 . . . . . 19 HIS HB3 . 52210 1
176 . 1 . 1 19 19 HIS HD2 H 1 7.17 0.05 . 1 . . . . . 19 HIS HD2 . 52210 1
177 . 1 . 1 19 19 HIS HE1 H 1 8.08 0.05 . 1 . . . . . 19 HIS HE1 . 52210 1
178 . 1 . 1 19 19 HIS CA C 13 56.31522671 0 . 1 . . . . . 19 HIS CA . 52210 1
179 . 1 . 1 19 19 HIS CB C 13 28.84977484 0.0620003075 . 1 . . . . . 19 HIS CB . 52210 1
180 . 1 . 1 19 19 HIS N N 15 121.2850444 0 . 1 . . . . . 19 HIS N . 52210 1
181 . 1 . 1 20 20 LEU H H 1 7.328068393 0.0358297473 . 1 . . . . . 20 LEU H . 52210 1
182 . 1 . 1 20 20 LEU HA H 1 4.038703243 0.023246641 . 1 . . . . . 20 LEU HA . 52210 1
183 . 1 . 1 20 20 LEU HB2 H 1 1.660688597 0.0046004084 . 1 . . . . . 20 LEU HB2 . 52210 1
184 . 1 . 1 20 20 LEU HB3 H 1 1.202860943 0.0214697407 . 1 . . . . . 20 LEU HB3 . 52210 1
185 . 1 . 1 20 20 LEU HG H 1 1.33321321 0.027133477 . 1 . . . . . 20 LEU HG . 52210 1
186 . 1 . 1 20 20 LEU HD11 H 1 0.7737141348 0.0119494463 . 2 . . . . . 20 LEU HD1# . 52210 1
187 . 1 . 1 20 20 LEU HD12 H 1 0.7737141348 0.0119494463 . 2 . . . . . 20 LEU HD1# . 52210 1
188 . 1 . 1 20 20 LEU HD13 H 1 0.7737141348 0.0119494463 . 2 . . . . . 20 LEU HD1# . 52210 1
189 . 1 . 1 20 20 LEU HD21 H 1 0.8140517515 0.0522034396 . 2 . . . . . 20 LEU HD2# . 52210 1
190 . 1 . 1 20 20 LEU HD22 H 1 0.8140517515 0.0522034396 . 2 . . . . . 20 LEU HD2# . 52210 1
191 . 1 . 1 20 20 LEU HD23 H 1 0.8140517515 0.0522034396 . 2 . . . . . 20 LEU HD2# . 52210 1
192 . 1 . 1 20 20 LEU CA C 13 55.65417192 0 . 1 . . . . . 20 LEU CA . 52210 1
193 . 1 . 1 20 20 LEU CB C 13 42.46187823 0.0111341109 . 1 . . . . . 20 LEU CB . 52210 1
194 . 1 . 1 20 20 LEU CG C 13 25.95922984 0 . 1 . . . . . 20 LEU CG . 52210 1
195 . 1 . 1 20 20 LEU CD1 C 13 22.78467213 0 . 2 . . . . . 20 LEU CD1 . 52210 1
196 . 1 . 1 20 20 LEU CD2 C 13 23.4901294 0 . 2 . . . . . 20 LEU CD2 . 52210 1
197 . 1 . 1 20 20 LEU N N 15 119.6610793 0 . 1 . . . . . 20 LEU N . 52210 1
198 . 1 . 1 21 21 ASP H H 1 7.875245721 0.0159375449 . 1 . . . . . 21 ASP H . 52210 1
199 . 1 . 1 21 21 ASP HA H 1 4.342216198 0.0486079738 . 1 . . . . . 21 ASP HA . 52210 1
200 . 1 . 1 21 21 ASP HB2 H 1 2.715194232 0.0271234359 . 1 . . . . . 21 ASP HB2 . 52210 1
201 . 1 . 1 21 21 ASP HB3 H 1 2.566120434 0.0199489626 . 1 . . . . . 21 ASP HB3 . 52210 1
202 . 1 . 1 21 21 ASP CA C 13 55.05640007 0 . 1 . . . . . 21 ASP CA . 52210 1
203 . 1 . 1 21 21 ASP N N 15 119.7754915 0 . 1 . . . . . 21 ASP N . 52210 1
204 . 1 . 1 22 22 LEU H H 1 6.93658775 0.046153835 . 1 . . . . . 22 LEU H . 52210 1
205 . 1 . 1 22 22 LEU HA H 1 3.23025677 0.0372850774 . 1 . . . . . 22 LEU HA . 52210 1
206 . 1 . 1 22 22 LEU HB2 H 1 1.227375097 0.0553058223 . 2 . . . . . 22 LEU HB2 . 52210 1
207 . 1 . 1 22 22 LEU HB3 H 1 1.881887674 0.0253021104 . 2 . . . . . 22 LEU HB3 . 52210 1
208 . 1 . 1 22 22 LEU HG H 1 1.44818311 0.0664971386 . 1 . . . . . 22 LEU HG . 52210 1
209 . 1 . 1 22 22 LEU HD11 H 1 0.9801098747 0.0301522583 . 2 . . . . . 22 LEU HD1# . 52210 1
210 . 1 . 1 22 22 LEU HD12 H 1 0.9801098747 0.0301522583 . 2 . . . . . 22 LEU HD1# . 52210 1
211 . 1 . 1 22 22 LEU HD13 H 1 0.9801098747 0.0301522583 . 2 . . . . . 22 LEU HD1# . 52210 1
212 . 1 . 1 22 22 LEU HD21 H 1 0.9104580477 0.035151618 . 2 . . . . . 22 LEU HD2# . 52210 1
213 . 1 . 1 22 22 LEU HD22 H 1 0.9104580477 0.035151618 . 2 . . . . . 22 LEU HD2# . 52210 1
214 . 1 . 1 22 22 LEU HD23 H 1 0.9104580477 0.035151618 . 2 . . . . . 22 LEU HD2# . 52210 1
215 . 1 . 1 22 22 LEU CA C 13 56.91555639 0 . 1 . . . . . 22 LEU CA . 52210 1
216 . 1 . 1 22 22 LEU CB C 13 39.9740205 0.031916426 . 1 . . . . . 22 LEU CB . 52210 1
217 . 1 . 1 22 22 LEU CG C 13 26.01983485 0 . 1 . . . . . 22 LEU CG . 52210 1
218 . 1 . 1 22 22 LEU CD1 C 13 22.68830941 0 . 2 . . . . . 22 LEU CD1 . 52210 1
219 . 1 . 1 22 22 LEU CD2 C 13 21.71469532 0 . 2 . . . . . 22 LEU CD2 . 52210 1
220 . 1 . 1 22 22 LEU N N 15 116.7269279 0 . 1 . . . . . 22 LEU N . 52210 1
221 . 1 . 1 23 23 PHE H H 1 8.524859634 0.0191672194 . 1 . . . . . 23 PHE H . 52210 1
222 . 1 . 1 23 23 PHE HA H 1 4.52804879 0.0411356171 . 1 . . . . . 23 PHE HA . 52210 1
223 . 1 . 1 23 23 PHE HB2 H 1 2.925530635 0.0205740722 . 1 . . . . . 23 PHE HB2 . 52210 1
224 . 1 . 1 23 23 PHE HB3 H 1 2.727169619 0.0500344435 . 1 . . . . . 23 PHE HB3 . 52210 1
225 . 1 . 1 23 23 PHE HD1 H 1 7.08 0.05 . 1 . . . . . 23 PHE HD# . 52210 1
226 . 1 . 1 23 23 PHE HD2 H 1 7.33 0.05 . 1 . . . . . 23 PHE HD# . 52210 1
227 . 1 . 1 23 23 PHE HE1 H 1 6.59 0.05 . 1 . . . . . 23 PHE HE# . 52210 1
228 . 1 . 1 23 23 PHE HE2 H 1 7.70 0.05 . 1 . . . . . 23 PHE HE# . 52210 1
229 . 1 . 1 23 23 PHE HZ H 1 6.83 0.05 . 1 . . . . . 23 PHE HZ . 52210 1
230 . 1 . 1 23 23 PHE CA C 13 57.12700833 0 . 1 . . . . . 23 PHE CA . 52210 1
231 . 1 . 1 23 23 PHE CB C 13 38.89063708 0 . 1 . . . . . 23 PHE CB . 52210 1
232 . 1 . 1 23 23 PHE N N 15 120.6087437 0 . 1 . . . . . 23 PHE N . 52210 1
233 . 1 . 1 24 24 GLN H H 1 8.203225909 0.0176629386 . 1 . . . . . 24 GLN H . 52210 1
234 . 1 . 1 24 24 GLN HA H 1 4.317783913 0.0686955197 . 1 . . . . . 24 GLN HA . 52210 1
235 . 1 . 1 24 24 GLN HB2 H 1 1.582133519 0.0238290408 . 2 . . . . . 24 GLN HB2 . 52210 1
236 . 1 . 1 24 24 GLN HB3 H 1 1.782976804 0.0281777338 . 2 . . . . . 24 GLN HB3 . 52210 1
237 . 1 . 1 24 24 GLN HG2 H 1 2.178222057 0.0502066109 . 2 . . . . . 24 GLN HG2 . 52210 1
238 . 1 . 1 24 24 GLN HG3 H 1 2.334388166 0.0373385546 . 2 . . . . . 24 GLN HG3 . 52210 1
239 . 1 . 1 24 24 GLN CA C 13 59.01811725 0 . 1 . . . . . 24 GLN CA . 52210 1
240 . 1 . 1 24 24 GLN CB C 13 28.69773561 0.0295070998 . 1 . . . . . 24 GLN CB . 52210 1
241 . 1 . 1 24 24 GLN CG C 13 33.05495068 0 . 1 . . . . . 24 GLN CG . 52210 1
242 . 1 . 1 24 24 GLN N N 15 122.1710621 0 . 1 . . . . . 24 GLN N . 52210 1
243 . 1 . 1 25 25 GLY H H 1 9.089830742 0.0031842161 . 1 . . . . . 25 GLY H . 52210 1
244 . 1 . 1 25 25 GLY HA2 H 1 3.90020146 0.0445270731 . 2 . . . . . 25 GLY HA2 . 52210 1
245 . 1 . 1 25 25 GLY HA3 H 1 3.931728752 0.0224824695 . 2 . . . . . 25 GLY HA3 . 52210 1
246 . 1 . 1 25 25 GLY CA C 13 44.66182839 0 . 1 . . . . . 25 GLY CA . 52210 1
247 . 1 . 1 25 25 GLY N N 15 108.8306211 0 . 1 . . . . . 25 GLY N . 52210 1
248 . 1 . 1 26 26 HIS H H 1 8.540829381 0.0063015239 . 1 . . . . . 26 HIS H . 52210 1
249 . 1 . 1 26 26 HIS HA H 1 4.28748759 0.070061169 . 1 . . . . . 26 HIS HA . 52210 1
250 . 1 . 1 26 26 HIS HB2 H 1 3.605202288 0.0421771508 . 1 . . . . . 26 HIS HB2 . 52210 1
251 . 1 . 1 26 26 HIS HB3 H 1 3.234755202 0.0393541414 . 1 . . . . . 26 HIS HB3 . 52210 1
252 . 1 . 1 26 26 HIS HD2 H 1 6.88 0.05 . 1 . . . . . 26 HIS HD2 . 52210 1
253 . 1 . 1 26 26 HIS HE1 H 1 8.20 0.05 . 1 . . . . . 26 HIS HE1 . 52210 1
254 . 1 . 1 26 26 HIS CA C 13 56.50850325 0 . 1 . . . . . 26 HIS CA . 52210 1
255 . 1 . 1 26 26 HIS CB C 13 29.44410478 0.0533407863 . 1 . . . . . 26 HIS CB . 52210 1
256 . 1 . 1 26 26 HIS N N 15 120.6441505 0 . 1 . . . . . 26 HIS N . 52210 1
257 . 1 . 1 27 27 LYS H H 1 8.338727843 0.0326580617 . 1 . . . . . 27 LYS H . 52210 1
258 . 1 . 1 27 27 LYS HA H 1 4.001221724 0.0080125756 . 1 . . . . . 27 LYS HA . 52210 1
259 . 1 . 1 27 27 LYS HB2 H 1 1.731706132 0.0036134975 . 2 . . . . . 27 LYS HB2 . 52210 1
260 . 1 . 1 27 27 LYS HB3 H 1 1.830234313 0.00757265 . 2 . . . . . 27 LYS HB3 . 52210 1
261 . 1 . 1 27 27 LYS HG2 H 1 1.616623475 0.0076582366 . 2 . . . . . 27 LYS HG2 . 52210 1
262 . 1 . 1 27 27 LYS HG3 H 1 1.661931682 0.0007992799 . 2 . . . . . 27 LYS HG3 . 52210 1
263 . 1 . 1 27 27 LYS HD2 H 1 1.43972824 0.0412088965 . 2 . . . . . 27 LYS HD2 . 52210 1
264 . 1 . 1 27 27 LYS HD3 H 1 1.896074484 0.02469467 . 2 . . . . . 27 LYS HD3 . 52210 1
265 . 1 . 1 27 27 LYS HE2 H 1 2.683695607 0.0048800839 . 2 . . . . . 27 LYS HE2 . 52210 1
266 . 1 . 1 27 27 LYS HE3 H 1 2.728062589 0.0426644648 . 2 . . . . . 27 LYS HE3 . 52210 1
267 . 1 . 1 27 27 LYS CA C 13 58.11675902 0 . 1 . . . . . 27 LYS CA . 52210 1
268 . 1 . 1 27 27 LYS CB C 13 32.32523912 0 . 1 . . . . . 27 LYS CB . 52210 1
269 . 1 . 1 27 27 LYS CG C 13 28.0803104 0 . 1 . . . . . 27 LYS CG . 52210 1
270 . 1 . 1 27 27 LYS CD C 13 28.87367363 0 . 1 . . . . . 27 LYS CD . 52210 1
271 . 1 . 1 27 27 LYS CE C 13 40.66462987 0.0157805329 . 1 . . . . . 27 LYS CE . 52210 1
272 . 1 . 1 27 27 LYS N N 15 118.6026459 0 . 1 . . . . . 27 LYS N . 52210 1
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