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 51782
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name His6-AviTag-Sox2_aa234-317_C265A
_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 0.02
_Assigned_chem_shift_list.Chem_shift_13C_err 0.2
_Assigned_chem_shift_list.Chem_shift_15N_err 0.05
_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 'Spectral resolution'
_Assigned_chem_shift_list.Details
;
high pH-dependence because of 5 solvent-accessible histidines in AviTag-Sox2_aa234-317_C265A (added to His6 in N-ter)
error : 0.05 for CO, 0.2 for CA-CB
;
_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
2 '2D 1H-15N HSQC' . . . 51782 1
3 '3D HNCO' . . . 51782 1
5 '3D HNCACB' . . . 51782 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
2 $software_2 . . 51782 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 8 8 HIS C C 13 174.6904512 0 . 1 . . . . . 8 HIS C . 51782 1
2 . 1 . 1 9 9 VAL H H 1 8.018012522 0.001092138722 . 1 . . . . . 9 VAL H . 51782 1
3 . 1 . 1 9 9 VAL C C 13 176.1627485 0 . 1 . . . . . 9 VAL C . 51782 1
4 . 1 . 1 9 9 VAL CA C 13 62.20604939 0 . 1 . . . . . 9 VAL CA . 51782 1
5 . 1 . 1 9 9 VAL CB C 13 32.59176607 0 . 1 . . . . . 9 VAL CB . 51782 1
6 . 1 . 1 9 9 VAL N N 15 122.3114101 0.003858848652 . 1 . . . . . 9 VAL N . 51782 1
7 . 1 . 1 10 10 GLY H H 1 8.348195366 0.001497673853 . 1 . . . . . 10 GLY H . 51782 1
8 . 1 . 1 10 10 GLY C C 13 174.099128 0 . 1 . . . . . 10 GLY C . 51782 1
9 . 1 . 1 10 10 GLY CA C 13 44.96343381 0 . 1 . . . . . 10 GLY CA . 51782 1
10 . 1 . 1 10 10 GLY N N 15 112.5247822 0.007961027231 . 1 . . . . . 10 GLY N . 51782 1
11 . 1 . 1 11 11 THR H H 1 8.058633947 0.001553275982 . 1 . . . . . 11 THR H . 51782 1
12 . 1 . 1 11 11 THR C C 13 175.2068067 0 . 1 . . . . . 11 THR C . 51782 1
13 . 1 . 1 11 11 THR CA C 13 61.75362173 0 . 1 . . . . . 11 THR CA . 51782 1
14 . 1 . 1 11 11 THR CB C 13 69.6481516 0 . 1 . . . . . 11 THR CB . 51782 1
15 . 1 . 1 11 11 THR N N 15 112.7012956 0 . 1 . . . . . 11 THR N . 51782 1
16 . 1 . 1 12 12 GLY H H 1 8.44280269 0.001020675395 . 1 . . . . . 12 GLY H . 51782 1
17 . 1 . 1 12 12 GLY C C 13 174.0449619 0 . 1 . . . . . 12 GLY C . 51782 1
18 . 1 . 1 12 12 GLY CA C 13 45.10564251 0 . 1 . . . . . 12 GLY CA . 51782 1
19 . 1 . 1 12 12 GLY N N 15 111.3866657 0.00816540316 . 1 . . . . . 12 GLY N . 51782 1
20 . 1 . 1 13 13 LEU H H 1 7.993281215 0.0007999271814 . 1 . . . . . 13 LEU H . 51782 1
21 . 1 . 1 13 13 LEU C C 13 177.1685051 0 . 1 . . . . . 13 LEU C . 51782 1
22 . 1 . 1 13 13 LEU CA C 13 55.32941371 0 . 1 . . . . . 13 LEU CA . 51782 1
23 . 1 . 1 13 13 LEU CB C 13 42.06055463 0 . 1 . . . . . 13 LEU CB . 51782 1
24 . 1 . 1 13 13 LEU N N 15 121.2467318 0 . 1 . . . . . 13 LEU N . 51782 1
25 . 1 . 1 14 14 ASN H H 1 8.313899404 0.001435039506 . 1 . . . . . 14 ASN H . 51782 1
26 . 1 . 1 14 14 ASN C C 13 174.6970147 0 . 1 . . . . . 14 ASN C . 51782 1
27 . 1 . 1 14 14 ASN CA C 13 53.14372761 0 . 1 . . . . . 14 ASN CA . 51782 1
28 . 1 . 1 14 14 ASN CB C 13 38.63128851 0 . 1 . . . . . 14 ASN CB . 51782 1
29 . 1 . 1 14 14 ASN N N 15 118.0948862 0.0000013487 . 1 . . . . . 14 ASN N . 51782 1
30 . 1 . 1 15 15 ASP H H 1 7.978890213 0.0004948263597 . 1 . . . . . 15 ASP H . 51782 1
31 . 1 . 1 15 15 ASP C C 13 176.158875 0 . 1 . . . . . 15 ASP C . 51782 1
32 . 1 . 1 15 15 ASP CA C 13 54.3929783 0 . 1 . . . . . 15 ASP CA . 51782 1
33 . 1 . 1 15 15 ASP CB C 13 40.85465885 0 . 1 . . . . . 15 ASP CB . 51782 1
34 . 1 . 1 15 15 ASP N N 15 120.3093435 0.006532322533 . 1 . . . . . 15 ASP N . 51782 1
35 . 1 . 1 16 16 ILE H H 1 7.757413994 0.0007830165882 . 1 . . . . . 16 ILE H . 51782 1
36 . 1 . 1 16 16 ILE C C 13 176.0205719 0 . 1 . . . . . 16 ILE C . 51782 1
37 . 1 . 1 16 16 ILE CA C 13 61.51530024 0 . 1 . . . . . 16 ILE CA . 51782 1
38 . 1 . 1 16 16 ILE CB C 13 38.21676184 0 . 1 . . . . . 16 ILE CB . 51782 1
39 . 1 . 1 16 16 ILE N N 15 120.0518611 0.01338949081 . 1 . . . . . 16 ILE N . 51782 1
40 . 1 . 1 17 17 PHE H H 1 8.039052437 0.002277198299 . 1 . . . . . 17 PHE H . 51782 1
41 . 1 . 1 17 17 PHE C C 13 175.8791792 0 . 1 . . . . . 17 PHE C . 51782 1
42 . 1 . 1 17 17 PHE CA C 13 58.06320937 0 . 1 . . . . . 17 PHE CA . 51782 1
43 . 1 . 1 17 17 PHE CB C 13 39.1381041 0 . 1 . . . . . 17 PHE CB . 51782 1
44 . 1 . 1 17 17 PHE N N 15 123.2894409 0.01582582981 . 1 . . . . . 17 PHE N . 51782 1
45 . 1 . 1 18 18 GLU H H 1 8.031572348 0.001194144843 . 1 . . . . . 18 GLU H . 51782 1
46 . 1 . 1 18 18 GLU C C 13 176.0678376 0 . 1 . . . . . 18 GLU C . 51782 1
47 . 1 . 1 18 18 GLU CA C 13 56.50846374 0 . 1 . . . . . 18 GLU CA . 51782 1
48 . 1 . 1 18 18 GLU CB C 13 30.02524077 0 . 1 . . . . . 18 GLU CB . 51782 1
49 . 1 . 1 18 18 GLU N N 15 122.2809788 0.02657244152 . 1 . . . . . 18 GLU N . 51782 1
50 . 1 . 1 19 19 ALA H H 1 8.036603035 0.0007752989115 . 1 . . . . . 19 ALA H . 51782 1
51 . 1 . 1 19 19 ALA C C 13 177.8673363 0 . 1 . . . . . 19 ALA C . 51782 1
52 . 1 . 1 19 19 ALA CA C 13 52.75545424 0 . 1 . . . . . 19 ALA CA . 51782 1
53 . 1 . 1 19 19 ALA CB C 13 18.74777429 0 . 1 . . . . . 19 ALA CB . 51782 1
54 . 1 . 1 19 19 ALA N N 15 124.2836218 0.002642919407 . 1 . . . . . 19 ALA N . 51782 1
55 . 1 . 1 20 20 GLN H H 1 8.066661471 0.001339963062 . 1 . . . . . 20 GLN H . 51782 1
56 . 1 . 1 20 20 GLN C C 13 175.8598031 0 . 1 . . . . . 20 GLN C . 51782 1
57 . 1 . 1 20 20 GLN CA C 13 55.83551031 0 . 1 . . . . . 20 GLN CA . 51782 1
58 . 1 . 1 20 20 GLN CB C 13 29.06757628 0 . 1 . . . . . 20 GLN CB . 51782 1
59 . 1 . 1 20 20 GLN N N 15 118.5822407 0.004094394517 . 1 . . . . . 20 GLN N . 51782 1
60 . 1 . 1 21 21 LYS H H 1 8.001027758 0.001458152982 . 1 . . . . . 21 LYS H . 51782 1
61 . 1 . 1 21 21 LYS C C 13 176.2676151 0 . 1 . . . . . 21 LYS C . 51782 1
62 . 1 . 1 21 21 LYS CA C 13 56.2899308 0 . 1 . . . . . 21 LYS CA . 51782 1
63 . 1 . 1 21 21 LYS CB C 13 32.63338319 0 . 1 . . . . . 21 LYS CB . 51782 1
64 . 1 . 1 21 21 LYS N N 15 122.4111191 0.0007973937804 . 1 . . . . . 21 LYS N . 51782 1
65 . 1 . 1 22 22 ILE H H 1 7.951254857 0.00131587166 . 1 . . . . . 22 ILE H . 51782 1
66 . 1 . 1 22 22 ILE C C 13 175.8801934 0 . 1 . . . . . 22 ILE C . 51782 1
67 . 1 . 1 22 22 ILE CA C 13 60.9671665 0 . 1 . . . . . 22 ILE CA . 51782 1
68 . 1 . 1 22 22 ILE CB C 13 38.48692967 0 . 1 . . . . . 22 ILE CB . 51782 1
69 . 1 . 1 22 22 ILE N N 15 122.3715606 0 . 1 . . . . . 22 ILE N . 51782 1
70 . 1 . 1 23 23 GLU H H 1 8.230347764 0.000171576792 . 1 . . . . . 23 GLU H . 51782 1
71 . 1 . 1 23 23 GLU C C 13 175.5712824 0 . 1 . . . . . 23 GLU C . 51782 1
72 . 1 . 1 23 23 GLU CA C 13 56.01387239 0 . 1 . . . . . 23 GLU CA . 51782 1
73 . 1 . 1 23 23 GLU CB C 13 30.16015274 0 . 1 . . . . . 23 GLU CB . 51782 1
74 . 1 . 1 23 23 GLU N N 15 124.9593442 0.01335476078 . 1 . . . . . 23 GLU N . 51782 1
75 . 1 . 1 24 24 TRP H H 1 8.131356127 0.0009034571078 . 1 . . . . . 24 TRP H . 51782 1
76 . 1 . 1 24 24 TRP C C 13 175.6012691 0 . 1 . . . . . 24 TRP C . 51782 1
77 . 1 . 1 24 24 TRP CA C 13 57.50334072 0 . 1 . . . . . 24 TRP CA . 51782 1
78 . 1 . 1 24 24 TRP CB C 13 29.56073256 0 . 1 . . . . . 24 TRP CB . 51782 1
79 . 1 . 1 24 24 TRP N N 15 123.1321184 0.0007996136888 . 1 . . . . . 24 TRP N . 51782 1
80 . 1 . 1 25 25 HIS H H 1 7.667343526 0.0006172828181 . 1 . . . . . 25 HIS H . 51782 1
81 . 1 . 1 25 25 HIS C C 13 173.8733885 0 . 1 . . . . . 25 HIS C . 51782 1
82 . 1 . 1 25 25 HIS CA C 13 55.11358322 0 . 1 . . . . . 25 HIS CA . 51782 1
83 . 1 . 1 25 25 HIS CB C 13 30.21430582 0 . 1 . . . . . 25 HIS CB . 51782 1
84 . 1 . 1 25 25 HIS N N 15 121.3243567 0.0041459896 . 1 . . . . . 25 HIS N . 51782 1
85 . 1 . 1 26 26 GLU H H 1 8.088026513 0.001403775142 . 1 . . . . . 26 GLU H . 51782 1
86 . 1 . 1 26 26 GLU C C 13 176.7486139 0 . 1 . . . . . 26 GLU C . 51782 1
87 . 1 . 1 26 26 GLU CA C 13 56.8348844 0 . 1 . . . . . 26 GLU CA . 51782 1
88 . 1 . 1 26 26 GLU CB C 13 29.66730003 0 . 1 . . . . . 26 GLU CB . 51782 1
89 . 1 . 1 26 26 GLU N N 15 121.7243811 0 . 1 . . . . . 26 GLU N . 51782 1
90 . 1 . 1 27 27 GLY H H 1 8.2771818 0.0008191313816 . 1 . . . . . 27 GLY H . 51782 1
91 . 1 . 1 27 27 GLY C C 13 173.8997693 0 . 1 . . . . . 27 GLY C . 51782 1
92 . 1 . 1 27 27 GLY CA C 13 45.0868221 0 . 1 . . . . . 27 GLY CA . 51782 1
93 . 1 . 1 27 27 GLY N N 15 110.4658179 0 . 1 . . . . . 27 GLY N . 51782 1
94 . 1 . 1 28 28 ALA H H 1 7.953162685 0.001395661805 . 1 . . . . . 28 ALA H . 51782 1
95 . 1 . 1 28 28 ALA C C 13 178.149685 0 . 1 . . . . . 28 ALA C . 51782 1
96 . 1 . 1 28 28 ALA CA C 13 52.54809034 0 . 1 . . . . . 28 ALA CA . 51782 1
97 . 1 . 1 28 28 ALA CB C 13 18.99023318 0 . 1 . . . . . 28 ALA CB . 51782 1
98 . 1 . 1 28 28 ALA N N 15 123.5551408 0.000001907 . 1 . . . . . 28 ALA N . 51782 1
99 . 1 . 1 29 29 GLY H H 1 8.243613911 0.001566582387 . 1 . . . . . 29 GLY H . 51782 1
100 . 1 . 1 29 29 GLY C C 13 174.0587595 0 . 1 . . . . . 29 GLY C . 51782 1
101 . 1 . 1 29 29 GLY CA C 13 45.1582218 0 . 1 . . . . . 29 GLY CA . 51782 1
102 . 1 . 1 29 29 GLY N N 15 107.8574479 0.006305676407 . 1 . . . . . 29 GLY N . 51782 1
103 . 1 . 1 30 30 MET H H 1 7.900316819 0.0008720499389 . 1 . . . . . 30 MET H . 51782 1
104 . 1 . 1 30 30 MET C C 13 175.8203556 0 . 1 . . . . . 30 MET C . 51782 1
105 . 1 . 1 30 30 MET CA C 13 55.16364694 0 . 1 . . . . . 30 MET CA . 51782 1
106 . 1 . 1 30 30 MET CB C 13 32.81983485 0 . 1 . . . . . 30 MET CB . 51782 1
107 . 1 . 1 30 30 MET N N 15 119.5065543 0.000001907 . 1 . . . . . 30 MET N . 51782 1
108 . 1 . 1 31 31 ALA H H 1 8.162519075 0.001144290206 . 1 . . . . . 31 ALA H . 51782 1
109 . 1 . 1 31 31 ALA C C 13 177.5819517 0 . 1 . . . . . 31 ALA C . 51782 1
110 . 1 . 1 31 31 ALA CA C 13 52.1804527 0 . 1 . . . . . 31 ALA CA . 51782 1
111 . 1 . 1 31 31 ALA CB C 13 18.77396196 0 . 1 . . . . . 31 ALA CB . 51782 1
112 . 1 . 1 31 31 ALA N N 15 124.9902255 0 . 1 . . . . . 31 ALA N . 51782 1
113 . 1 . 1 32 32 LEU H H 1 8.111463949 0.0002790777563 . 1 . . . . . 32 LEU H . 51782 1
114 . 1 . 1 32 32 LEU C C 13 178.0503529 0 . 1 . . . . . 32 LEU C . 51782 1
115 . 1 . 1 32 32 LEU CA C 13 55.2879467 0 . 1 . . . . . 32 LEU CA . 51782 1
116 . 1 . 1 32 32 LEU CB C 13 41.98787237 0 . 1 . . . . . 32 LEU CB . 51782 1
117 . 1 . 1 32 32 LEU N N 15 121.6893838 0.00106553891 . 1 . . . . . 32 LEU N . 51782 1
118 . 1 . 1 33 33 GLY H H 1 8.272524597 0.001268651925 . 1 . . . . . 33 GLY H . 51782 1
119 . 1 . 1 33 33 GLY C C 13 174.2206474 0 . 1 . . . . . 33 GLY C . 51782 1
120 . 1 . 1 33 33 GLY CA C 13 45.09636769 0 . 1 . . . . . 33 GLY CA . 51782 1
121 . 1 . 1 33 33 GLY N N 15 109.472302 0 . 1 . . . . . 33 GLY N . 51782 1
122 . 1 . 1 34 34 SER H H 1 8.024166539 0.001726207095 . 1 . . . . . 34 SER H . 51782 1
123 . 1 . 1 34 34 SER C C 13 174.7694485 0 . 1 . . . . . 34 SER C . 51782 1
124 . 1 . 1 34 34 SER CA C 13 58.33849364 0 . 1 . . . . . 34 SER CA . 51782 1
125 . 1 . 1 34 34 SER CB C 13 63.57244997 0 . 1 . . . . . 34 SER CB . 51782 1
126 . 1 . 1 34 34 SER N N 15 115.3004168 0 . 1 . . . . . 34 SER N . 51782 1
127 . 1 . 1 35 35 MET H H 1 8.294794025 0.0005882516078 . 1 . . . . . 35 MET H . 51782 1
128 . 1 . 1 35 35 MET C C 13 176.6566815 0 . 1 . . . . . 35 MET C . 51782 1
129 . 1 . 1 35 35 MET CA C 13 55.57708066 0 . 1 . . . . . 35 MET CA . 51782 1
130 . 1 . 1 35 35 MET CB C 13 32.31784745 0 . 1 . . . . . 35 MET CB . 51782 1
131 . 1 . 1 35 35 MET N N 15 121.7751096 0.0000013487 . 1 . . . . . 35 MET N . 51782 1
132 . 1 . 1 36 36 GLY H H 1 8.198744427 0.002174299199 . 1 . . . . . 36 GLY H . 51782 1
133 . 1 . 1 36 36 GLY C C 13 173.7975235 0 . 1 . . . . . 36 GLY C . 51782 1
134 . 1 . 1 36 36 GLY CA C 13 45.08309759 0 . 1 . . . . . 36 GLY CA . 51782 1
135 . 1 . 1 36 36 GLY N N 15 109.4643911 0.005460876373 . 1 . . . . . 36 GLY N . 51782 1
136 . 1 . 1 37 37 SER H H 1 7.980025687 0.001260017782 . 1 . . . . . 37 SER H . 51782 1
137 . 1 . 1 37 37 SER C C 13 174.2355808 0 . 1 . . . . . 37 SER C . 51782 1
138 . 1 . 1 37 37 SER CA C 13 58.03457627 0 . 1 . . . . . 37 SER CA . 51782 1
139 . 1 . 1 37 37 SER CB C 13 63.74423177 0 . 1 . . . . . 37 SER CB . 51782 1
140 . 1 . 1 37 37 SER N N 15 115.3666351 0.004282970148 . 1 . . . . . 37 SER N . 51782 1
141 . 1 . 1 38 38 VAL H H 1 8.00214093 0.0002432481838 . 1 . . . . . 38 VAL H . 51782 1
142 . 1 . 1 38 38 VAL C C 13 175.9269483 0 . 1 . . . . . 38 VAL C . 51782 1
143 . 1 . 1 38 38 VAL CA C 13 62.21380864 0 . 1 . . . . . 38 VAL CA . 51782 1
144 . 1 . 1 38 38 VAL CB C 13 32.52563346 0 . 1 . . . . . 38 VAL CB . 51782 1
145 . 1 . 1 38 38 VAL N N 15 121.9925548 0.004699973696 . 1 . . . . . 38 VAL N . 51782 1
146 . 1 . 1 39 39 VAL H H 1 8.11683386 0.0006699095083 . 1 . . . . . 39 VAL H . 51782 1
147 . 1 . 1 39 39 VAL C C 13 175.8204986 0 . 1 . . . . . 39 VAL C . 51782 1
148 . 1 . 1 39 39 VAL CA C 13 62.125515 0 . 1 . . . . . 39 VAL CA . 51782 1
149 . 1 . 1 39 39 VAL CB C 13 32.49620225 0 . 1 . . . . . 39 VAL CB . 51782 1
150 . 1 . 1 39 39 VAL N N 15 125.0491064 0.0042619941 . 1 . . . . . 39 VAL N . 51782 1
151 . 1 . 1 40 40 LYS H H 1 8.327632184 0.001742082237 . 1 . . . . . 40 LYS H . 51782 1
152 . 1 . 1 40 40 LYS C C 13 176.1871587 0 . 1 . . . . . 40 LYS C . 51782 1
153 . 1 . 1 40 40 LYS CA C 13 55.94496008 0 . 1 . . . . . 40 LYS CA . 51782 1
154 . 1 . 1 40 40 LYS CB C 13 32.90823924 0 . 1 . . . . . 40 LYS CB . 51782 1
155 . 1 . 1 40 40 LYS N N 15 126.4729838 0.003616421533 . 1 . . . . . 40 LYS N . 51782 1
156 . 1 . 1 41 41 SER H H 1 8.266068506 0.001181854141 . 1 . . . . . 41 SER H . 51782 1
157 . 1 . 1 41 41 SER C C 13 174.3861877 0 . 1 . . . . . 41 SER C . 51782 1
158 . 1 . 1 41 41 SER CA C 13 58.08655816 0 . 1 . . . . . 41 SER CA . 51782 1
159 . 1 . 1 41 41 SER CB C 13 63.62236278 0 . 1 . . . . . 41 SER CB . 51782 1
160 . 1 . 1 41 41 SER N N 15 118.0372689 0.005830561522 . 1 . . . . . 41 SER N . 51782 1
161 . 1 . 1 42 42 GLU H H 1 8.408336846 0.00153745194 . 1 . . . . . 42 GLU H . 51782 1
162 . 1 . 1 42 42 GLU C C 13 176.1648236 0 . 1 . . . . . 42 GLU C . 51782 1
163 . 1 . 1 42 42 GLU CA C 13 56.25548433 0 . 1 . . . . . 42 GLU CA . 51782 1
164 . 1 . 1 42 42 GLU CB C 13 30.06540125 0 . 1 . . . . . 42 GLU CB . 51782 1
165 . 1 . 1 42 42 GLU N N 15 123.1974657 0.0009087910787 . 1 . . . . . 42 GLU N . 51782 1
166 . 1 . 1 43 43 ALA H H 1 8.213161051 0.0009234356388 . 1 . . . . . 43 ALA H . 51782 1
167 . 1 . 1 43 43 ALA C C 13 177.7434644 0 . 1 . . . . . 43 ALA C . 51782 1
168 . 1 . 1 43 43 ALA CA C 13 52.4454178 0 . 1 . . . . . 43 ALA CA . 51782 1
169 . 1 . 1 43 43 ALA CB C 13 18.93552753 0 . 1 . . . . . 43 ALA CB . 51782 1
170 . 1 . 1 43 43 ALA N N 15 124.9640952 0.01697879356 . 1 . . . . . 43 ALA N . 51782 1
171 . 1 . 1 44 44 SER H H 1 8.141363828 0.002594559208 . 1 . . . . . 44 SER H . 51782 1
172 . 1 . 1 44 44 SER C C 13 174.4357051 0 . 1 . . . . . 44 SER C . 51782 1
173 . 1 . 1 44 44 SER CA C 13 58.15155487 0 . 1 . . . . . 44 SER CA . 51782 1
174 . 1 . 1 44 44 SER CB C 13 63.60219326 0 . 1 . . . . . 44 SER CB . 51782 1
175 . 1 . 1 44 44 SER N N 15 114.851455 0.000001907 . 1 . . . . . 44 SER N . 51782 1
176 . 1 . 1 45 45 SER H H 1 8.15620505 0.000879035188 . 1 . . . . . 45 SER H . 51782 1
177 . 1 . 1 45 45 SER C C 13 173.9573018 0 . 1 . . . . . 45 SER C . 51782 1
178 . 1 . 1 45 45 SER CA C 13 58.09599175 0 . 1 . . . . . 45 SER CA . 51782 1
179 . 1 . 1 45 45 SER CB C 13 63.66583604 0 . 1 . . . . . 45 SER CB . 51782 1
180 . 1 . 1 45 45 SER N N 15 117.6281323 0 . 1 . . . . . 45 SER N . 51782 1
181 . 1 . 1 46 46 SER H H 1 8.124087985 0.001160876514 . 1 . . . . . 46 SER H . 51782 1
182 . 1 . 1 46 46 SER C C 13 171.60676 0 . 1 . . . . . 46 SER C . 51782 1
183 . 1 . 1 46 46 SER CA C 13 56.42164896 0 . 1 . . . . . 46 SER CA . 51782 1
184 . 1 . 1 46 46 SER CB C 13 63.64676094 0 . 1 . . . . . 46 SER CB . 51782 1
185 . 1 . 1 46 46 SER N N 15 118.8448829 0.002074853873 . 1 . . . . . 46 SER N . 51782 1
186 . 1 . 1 48 48 PRO C C 13 176.5147412 0 . 1 . . . . . 48 PRO C . 51782 1
187 . 1 . 1 48 48 PRO CA C 13 62.64530437 0 . 1 . . . . . 48 PRO CA . 51782 1
188 . 1 . 1 48 48 PRO CB C 13 31.92724202 0 . 1 . . . . . 48 PRO CB . 51782 1
189 . 1 . 1 49 49 VAL H H 1 8.135350807 0.001778287858 . 1 . . . . . 49 VAL H . 51782 1
190 . 1 . 1 49 49 VAL C C 13 176.1261861 0 . 1 . . . . . 49 VAL C . 51782 1
191 . 1 . 1 49 49 VAL CA C 13 62.14173704 0 . 1 . . . . . 49 VAL CA . 51782 1
192 . 1 . 1 49 49 VAL CB C 13 32.52672694 0 . 1 . . . . . 49 VAL CB . 51782 1
193 . 1 . 1 49 49 VAL N N 15 121.1540777 0.003454054076 . 1 . . . . . 49 VAL N . 51782 1
194 . 1 . 1 50 50 VAL H H 1 8.216538923 0.001778429946 . 1 . . . . . 50 VAL H . 51782 1
195 . 1 . 1 50 50 VAL C C 13 176.1400631 0 . 1 . . . . . 50 VAL C . 51782 1
196 . 1 . 1 50 50 VAL CA C 13 61.9346588 0 . 1 . . . . . 50 VAL CA . 51782 1
197 . 1 . 1 50 50 VAL CB C 13 32.59866513 0 . 1 . . . . . 50 VAL CB . 51782 1
198 . 1 . 1 50 50 VAL N N 15 125.3353596 0.005861221211 . 1 . . . . . 50 VAL N . 51782 1
199 . 1 . 1 51 51 THR H H 1 8.198838259 0.002466920774 . 1 . . . . . 51 THR H . 51782 1
200 . 1 . 1 51 51 THR C C 13 174.3211873 0 . 1 . . . . . 51 THR C . 51782 1
201 . 1 . 1 51 51 THR CA C 13 61.33517388 0 . 1 . . . . . 51 THR CA . 51782 1
202 . 1 . 1 51 51 THR CB C 13 69.70398335 0 . 1 . . . . . 51 THR CB . 51782 1
203 . 1 . 1 51 51 THR N N 15 118.8224371 0.003740485983 . 1 . . . . . 51 THR N . 51782 1
204 . 1 . 1 52 52 SER H H 1 8.249775685 0.002282780632 . 1 . . . . . 52 SER H . 51782 1
205 . 1 . 1 52 52 SER C C 13 174.4730483 0 . 1 . . . . . 52 SER C . 51782 1
206 . 1 . 1 52 52 SER CA C 13 58.09811339 0 . 1 . . . . . 52 SER CA . 51782 1
207 . 1 . 1 52 52 SER CB C 13 63.73396043 0 . 1 . . . . . 52 SER CB . 51782 1
208 . 1 . 1 52 52 SER N N 15 118.0716465 0.004516530278 . 1 . . . . . 52 SER N . 51782 1
209 . 1 . 1 53 53 SER H H 1 8.295140511 0.0009304065338 . 1 . . . . . 53 SER H . 51782 1
210 . 1 . 1 53 53 SER CA C 13 58.25379977 0 . 1 . . . . . 53 SER CA . 51782 1
211 . 1 . 1 53 53 SER CB C 13 63.6405486 0 . 1 . . . . . 53 SER CB . 51782 1
212 . 1 . 1 53 53 SER N N 15 117.8362685 0.005348598551 . 1 . . . . . 53 SER N . 51782 1
213 . 1 . 1 55 55 HIS C C 13 175.0217105 0 . 1 . . . . . 55 HIS C . 51782 1
214 . 1 . 1 55 55 HIS CA C 13 55.86161693 0 . 1 . . . . . 55 HIS CA . 51782 1
215 . 1 . 1 55 55 HIS CB C 13 30.06802817 0 . 1 . . . . . 55 HIS CB . 51782 1
216 . 1 . 1 56 56 SER H H 1 8.053820907 0.00238495196 . 1 . . . . . 56 SER H . 51782 1
217 . 1 . 1 56 56 SER C C 13 174.0373725 0 . 1 . . . . . 56 SER C . 51782 1
218 . 1 . 1 56 56 SER CA C 13 58.23321854 0 . 1 . . . . . 56 SER CA . 51782 1
219 . 1 . 1 56 56 SER CB C 13 63.50445186 0 . 1 . . . . . 56 SER CB . 51782 1
220 . 1 . 1 56 56 SER N N 15 116.7024923 0.005488090192 . 1 . . . . . 56 SER N . 51782 1
221 . 1 . 1 57 57 ARG H H 1 8.233207396 0.0007701745945 . 1 . . . . . 57 ARG H . 51782 1
222 . 1 . 1 57 57 ARG C C 13 175.4215978 0 . 1 . . . . . 57 ARG C . 51782 1
223 . 1 . 1 57 57 ARG CA C 13 55.55923828 0 . 1 . . . . . 57 ARG CA . 51782 1
224 . 1 . 1 57 57 ARG CB C 13 30.73799134 0 . 1 . . . . . 57 ARG CB . 51782 1
225 . 1 . 1 57 57 ARG N N 15 122.9635179 0.0115842343 . 1 . . . . . 57 ARG N . 51782 1
226 . 1 . 1 58 58 ALA H H 1 8.194251634 0.001983260936 . 1 . . . . . 58 ALA H . 51782 1
227 . 1 . 1 58 58 ALA C C 13 175.2370344 0 . 1 . . . . . 58 ALA C . 51782 1
228 . 1 . 1 58 58 ALA CA C 13 50.31380239 0 . 1 . . . . . 58 ALA CA . 51782 1
229 . 1 . 1 58 58 ALA CB C 13 17.80182455 0 . 1 . . . . . 58 ALA CB . 51782 1
230 . 1 . 1 58 58 ALA N N 15 126.8929972 0.001848434873 . 1 . . . . . 58 ALA N . 51782 1
231 . 1 . 1 59 59 PRO C C 13 176.5186251 0 . 1 . . . . . 59 PRO C . 51782 1
232 . 1 . 1 59 59 PRO CA C 13 62.81666051 0 . 1 . . . . . 59 PRO CA . 51782 1
233 . 1 . 1 59 59 PRO CB C 13 31.87583731 0 . 1 . . . . . 59 PRO CB . 51782 1
234 . 1 . 1 60 60 ALA H H 1 8.26469942 0.002061499394 . 1 . . . . . 60 ALA H . 51782 1
235 . 1 . 1 60 60 ALA C C 13 177.5509074 0 . 1 . . . . . 60 ALA C . 51782 1
236 . 1 . 1 60 60 ALA CA C 13 52.34635243 0 . 1 . . . . . 60 ALA CA . 51782 1
237 . 1 . 1 60 60 ALA CB C 13 18.9680819 0 . 1 . . . . . 60 ALA CB . 51782 1
238 . 1 . 1 60 60 ALA N N 15 124.0680203 0.002008389203 . 1 . . . . . 60 ALA N . 51782 1
239 . 1 . 1 61 61 GLN H H 1 8.233545703 0.001229375754 . 1 . . . . . 61 GLN H . 51782 1
240 . 1 . 1 61 61 GLN C C 13 175.5366981 0 . 1 . . . . . 61 GLN C . 51782 1
241 . 1 . 1 61 61 GLN CA C 13 55.23538548 0 . 1 . . . . . 61 GLN CA . 51782 1
242 . 1 . 1 61 61 GLN CB C 13 29.51906422 0 . 1 . . . . . 61 GLN CB . 51782 1
243 . 1 . 1 61 61 GLN N N 15 119.5080869 0.0008939372918 . 1 . . . . . 61 GLN N . 51782 1
244 . 1 . 1 62 62 ALA H H 1 8.283115786 0.0008880209879 . 1 . . . . . 62 ALA H . 51782 1
245 . 1 . 1 62 62 ALA C C 13 178.1174037 0 . 1 . . . . . 62 ALA C . 51782 1
246 . 1 . 1 62 62 ALA CA C 13 52.69420603 0 . 1 . . . . . 62 ALA CA . 51782 1
247 . 1 . 1 62 62 ALA CB C 13 18.97751209 0 . 1 . . . . . 62 ALA CB . 51782 1
248 . 1 . 1 62 62 ALA N N 15 125.4900435 0.0007247146765 . 1 . . . . . 62 ALA N . 51782 1
249 . 1 . 1 63 63 GLY H H 1 8.266978054 0.0007390251913 . 1 . . . . . 63 GLY H . 51782 1
250 . 1 . 1 63 63 GLY C C 13 173.5861989 0 . 1 . . . . . 63 GLY C . 51782 1
251 . 1 . 1 63 63 GLY CA C 13 44.9954197 0 . 1 . . . . . 63 GLY CA . 51782 1
252 . 1 . 1 63 63 GLY N N 15 108.0769009 0.0000013487 . 1 . . . . . 63 GLY N . 51782 1
253 . 1 . 1 64 64 ASP H H 1 7.999715724 0.0003092496914 . 1 . . . . . 64 ASP H . 51782 1
254 . 1 . 1 64 64 ASP C C 13 176.4041617 0 . 1 . . . . . 64 ASP C . 51782 1
255 . 1 . 1 64 64 ASP CA C 13 53.98014142 0 . 1 . . . . . 64 ASP CA . 51782 1
256 . 1 . 1 64 64 ASP CB C 13 41.00507677 0 . 1 . . . . . 64 ASP CB . 51782 1
257 . 1 . 1 64 64 ASP N N 15 120.2142743 0.03114342149 . 1 . . . . . 64 ASP N . 51782 1
258 . 1 . 1 65 65 LEU H H 1 8.109495763 0.003801538963 . 1 . . . . . 65 LEU H . 51782 1
259 . 1 . 1 65 65 LEU C C 13 177.5981783 0 . 1 . . . . . 65 LEU C . 51782 1
260 . 1 . 1 65 65 LEU CA C 13 55.37385449 0 . 1 . . . . . 65 LEU CA . 51782 1
261 . 1 . 1 65 65 LEU CB C 13 41.619369 0 . 1 . . . . . 65 LEU CB . 51782 1
262 . 1 . 1 65 65 LEU N N 15 122.9682613 0.006155342067 . 1 . . . . . 65 LEU N . 51782 1
263 . 1 . 1 66 66 ARG H H 1 8.115475416 0.006160678177 . 1 . . . . . 66 ARG H . 51782 1
264 . 1 . 1 66 66 ARG CA C 13 56.52006161 0 . 1 . . . . . 66 ARG CA . 51782 1
265 . 1 . 1 66 66 ARG CB C 13 30.46742076 0 . 1 . . . . . 66 ARG CB . 51782 1
266 . 1 . 1 66 66 ARG N N 15 120.4865324 0.005297674648 . 1 . . . . . 66 ARG N . 51782 1
267 . 1 . 1 67 67 ASP H H 1 8.072658115 0.0008376359722 . 1 . . . . . 67 ASP H . 51782 1
268 . 1 . 1 67 67 ASP C C 13 176.1109927 0 . 1 . . . . . 67 ASP C . 51782 1
269 . 1 . 1 67 67 ASP CA C 13 54.41281102 0 . 1 . . . . . 67 ASP CA . 51782 1
270 . 1 . 1 67 67 ASP CB C 13 40.61985173 0 . 1 . . . . . 67 ASP CB . 51782 1
271 . 1 . 1 67 67 ASP N N 15 119.7781439 0.006701087846 . 1 . . . . . 67 ASP N . 51782 1
272 . 1 . 1 68 68 MET H H 1 7.991653709 0.0001612071062 . 1 . . . . . 68 MET H . 51782 1
273 . 1 . 1 68 68 MET C C 13 176.3247523 0 . 1 . . . . . 68 MET C . 51782 1
274 . 1 . 1 68 68 MET CA C 13 55.61263287 0 . 1 . . . . . 68 MET CA . 51782 1
275 . 1 . 1 68 68 MET CB C 13 32.40479322 0 . 1 . . . . . 68 MET CB . 51782 1
276 . 1 . 1 68 68 MET N N 15 120.1227498 0.009202619853 . 1 . . . . . 68 MET N . 51782 1
277 . 1 . 1 69 69 ILE H H 1 7.930663962 0.0009768631181 . 1 . . . . . 69 ILE H . 51782 1
278 . 1 . 1 69 69 ILE C C 13 176.4124377 0 . 1 . . . . . 69 ILE C . 51782 1
279 . 1 . 1 69 69 ILE CA C 13 61.54540675 0 . 1 . . . . . 69 ILE CA . 51782 1
280 . 1 . 1 69 69 ILE CB C 13 38.36772378 0 . 1 . . . . . 69 ILE CB . 51782 1
281 . 1 . 1 69 69 ILE N N 15 120.9216444 0.006374747066 . 1 . . . . . 69 ILE N . 51782 1
282 . 1 . 1 70 70 SER H H 1 8.127639564 0.001291152288 . 1 . . . . . 70 SER H . 51782 1
283 . 1 . 1 70 70 SER C C 13 174.3308101 0 . 1 . . . . . 70 SER C . 51782 1
284 . 1 . 1 70 70 SER CA C 13 58.43490008 0 . 1 . . . . . 70 SER CA . 51782 1
285 . 1 . 1 70 70 SER CB C 13 63.33630452 0 . 1 . . . . . 70 SER CB . 51782 1
286 . 1 . 1 70 70 SER N N 15 118.6266911 0 . 1 . . . . . 70 SER N . 51782 1
287 . 1 . 1 71 71 MET H H 1 8.019946915 0.001482032172 . 1 . . . . . 71 MET H . 51782 1
288 . 1 . 1 71 71 MET C C 13 175.2723465 0 . 1 . . . . . 71 MET C . 51782 1
289 . 1 . 1 71 71 MET CA C 13 55.5118202 0 . 1 . . . . . 71 MET CA . 51782 1
290 . 1 . 1 71 71 MET CB C 13 32.55173684 0 . 1 . . . . . 71 MET CB . 51782 1
291 . 1 . 1 71 71 MET N N 15 121.5447388 0 . 1 . . . . . 71 MET N . 51782 1
292 . 1 . 1 72 72 TYR H H 1 7.88126809 0.001048908252 . 1 . . . . . 72 TYR H . 51782 1
293 . 1 . 1 72 72 TYR C C 13 174.8511328 0 . 1 . . . . . 72 TYR C . 51782 1
294 . 1 . 1 72 72 TYR CA C 13 57.37697146 0 . 1 . . . . . 72 TYR CA . 51782 1
295 . 1 . 1 72 72 TYR CB C 13 38.58446432 0 . 1 . . . . . 72 TYR CB . 51782 1
296 . 1 . 1 72 72 TYR N N 15 120.56974 0.0000013487 . 1 . . . . . 72 TYR N . 51782 1
297 . 1 . 1 73 73 LEU H H 1 7.894478188 0.001346309282 . 1 . . . . . 73 LEU H . 51782 1
298 . 1 . 1 73 73 LEU C C 13 174.3390692 0 . 1 . . . . . 73 LEU C . 51782 1
299 . 1 . 1 73 73 LEU CA C 13 52.34625606 0 . 1 . . . . . 73 LEU CA . 51782 1
300 . 1 . 1 73 73 LEU CB C 13 41.70985292 0 . 1 . . . . . 73 LEU CB . 51782 1
301 . 1 . 1 73 73 LEU N N 15 125.9004389 0.001411040998 . 1 . . . . . 73 LEU N . 51782 1
302 . 1 . 1 74 74 PRO C C 13 177.4383519 0 . 1 . . . . . 74 PRO C . 51782 1
303 . 1 . 1 74 74 PRO CA C 13 63.23019858 0 . 1 . . . . . 74 PRO CA . 51782 1
304 . 1 . 1 74 74 PRO CB C 13 31.6946433 0 . 1 . . . . . 74 PRO CB . 51782 1
305 . 1 . 1 75 75 GLY H H 1 8.37291801 0.00126804172 . 1 . . . . . 75 GLY H . 51782 1
306 . 1 . 1 75 75 GLY C C 13 173.7298482 0 . 1 . . . . . 75 GLY C . 51782 1
307 . 1 . 1 75 75 GLY CA C 13 44.92189521 0 . 1 . . . . . 75 GLY CA . 51782 1
308 . 1 . 1 75 75 GLY N N 15 110.1014559 0.007264139334 . 1 . . . . . 75 GLY N . 51782 1
309 . 1 . 1 76 76 ALA H H 1 7.878796355 0.0008584499488 . 1 . . . . . 76 ALA H . 51782 1
310 . 1 . 1 76 76 ALA C C 13 177.4211829 0 . 1 . . . . . 76 ALA C . 51782 1
311 . 1 . 1 76 76 ALA CA C 13 52.05933767 0 . 1 . . . . . 76 ALA CA . 51782 1
312 . 1 . 1 76 76 ALA CB C 13 19.33847332 0 . 1 . . . . . 76 ALA CB . 51782 1
313 . 1 . 1 76 76 ALA N N 15 123.3239108 0.008985970424 . 1 . . . . . 76 ALA N . 51782 1
314 . 1 . 1 77 77 GLU H H 1 8.343522685 0.001035352102 . 1 . . . . . 77 GLU H . 51782 1
315 . 1 . 1 77 77 GLU C C 13 176.0164712 0 . 1 . . . . . 77 GLU C . 51782 1
316 . 1 . 1 77 77 GLU CA C 13 56.2829114 0 . 1 . . . . . 77 GLU CA . 51782 1
317 . 1 . 1 77 77 GLU CB C 13 29.83877106 0 . 1 . . . . . 77 GLU CB . 51782 1
318 . 1 . 1 77 77 GLU N N 15 120.2094785 0.0000659209 . 1 . . . . . 77 GLU N . 51782 1
319 . 1 . 1 78 78 VAL H H 1 8.045408242 0.001513989732 . 1 . . . . . 78 VAL H . 51782 1
320 . 1 . 1 78 78 VAL C C 13 174.1441554 0 . 1 . . . . . 78 VAL C . 51782 1
321 . 1 . 1 78 78 VAL CA C 13 59.41934138 0 . 1 . . . . . 78 VAL CA . 51782 1
322 . 1 . 1 78 78 VAL CB C 13 32.44250225 0 . 1 . . . . . 78 VAL CB . 51782 1
323 . 1 . 1 78 78 VAL N N 15 123.3042035 0.01006548635 . 1 . . . . . 78 VAL N . 51782 1
324 . 1 . 1 79 79 PRO C C 13 176.3239191 0 . 1 . . . . . 79 PRO C . 51782 1
325 . 1 . 1 79 79 PRO CA C 13 62.68805183 0 . 1 . . . . . 79 PRO CA . 51782 1
326 . 1 . 1 79 79 PRO CB C 13 31.86044449 0 . 1 . . . . . 79 PRO CB . 51782 1
327 . 1 . 1 80 80 GLU H H 1 8.273871048 0.002270465455 . 1 . . . . . 80 GLU H . 51782 1
328 . 1 . 1 80 80 GLU C C 13 174.5100083 0 . 1 . . . . . 80 GLU C . 51782 1
329 . 1 . 1 80 80 GLU CA C 13 54.14003005 0 . 1 . . . . . 80 GLU CA . 51782 1
330 . 1 . 1 80 80 GLU CB C 13 29.44022146 0 . 1 . . . . . 80 GLU CB . 51782 1
331 . 1 . 1 80 80 GLU N N 15 122.423483 0.005714591893 . 1 . . . . . 80 GLU N . 51782 1
332 . 1 . 1 81 81 PRO C C 13 176.3270967 0 . 1 . . . . . 81 PRO C . 51782 1
333 . 1 . 1 81 81 PRO CA C 13 62.89371943 0 . 1 . . . . . 81 PRO CA . 51782 1
334 . 1 . 1 81 81 PRO CB C 13 31.8779485 0 . 1 . . . . . 81 PRO CB . 51782 1
335 . 1 . 1 82 82 ALA H H 1 8.215887632 0.001773624502 . 1 . . . . . 82 ALA H . 51782 1
336 . 1 . 1 82 82 ALA C C 13 176.9834872 0 . 1 . . . . . 82 ALA C . 51782 1
337 . 1 . 1 82 82 ALA CA C 13 51.86253739 0 . 1 . . . . . 82 ALA CA . 51782 1
338 . 1 . 1 82 82 ALA CB C 13 18.93771099 0 . 1 . . . . . 82 ALA CB . 51782 1
339 . 1 . 1 82 82 ALA N N 15 123.88454 0.001587987729 . 1 . . . . . 82 ALA N . 51782 1
340 . 1 . 1 83 83 ALA H H 1 8.093483882 0.0006688013211 . 1 . . . . . 83 ALA H . 51782 1
341 . 1 . 1 83 83 ALA C C 13 175.4782307 0 . 1 . . . . . 83 ALA C . 51782 1
342 . 1 . 1 83 83 ALA CA C 13 50.39171312 0 . 1 . . . . . 83 ALA CA . 51782 1
343 . 1 . 1 83 83 ALA CB C 13 17.9252604 0 . 1 . . . . . 83 ALA CB . 51782 1
344 . 1 . 1 83 83 ALA N N 15 124.5344879 0.001704408382 . 1 . . . . . 83 ALA N . 51782 1
345 . 1 . 1 84 84 PRO C C 13 176.9043491 0 . 1 . . . . . 84 PRO C . 51782 1
346 . 1 . 1 84 84 PRO CA C 13 63.10037682 0 . 1 . . . . . 84 PRO CA . 51782 1
347 . 1 . 1 84 84 PRO CB C 13 31.78468088 0 . 1 . . . . . 84 PRO CB . 51782 1
348 . 1 . 1 85 85 SER H H 1 8.208518729 0.0013524027 . 1 . . . . . 85 SER H . 51782 1
349 . 1 . 1 85 85 SER C C 13 174.823609 0 . 1 . . . . . 85 SER C . 51782 1
350 . 1 . 1 85 85 SER CA C 13 58.26965088 0 . 1 . . . . . 85 SER CA . 51782 1
351 . 1 . 1 85 85 SER CB C 13 63.52151703 0 . 1 . . . . . 85 SER CB . 51782 1
352 . 1 . 1 85 85 SER N N 15 115.4258459 0.009071534775 . 1 . . . . . 85 SER N . 51782 1
353 . 1 . 1 86 86 ARG H H 1 8.241550551 0.004245164372 . 1 . . . . . 86 ARG H . 51782 1
354 . 1 . 1 86 86 ARG C C 13 176.2671847 0 . 1 . . . . . 86 ARG C . 51782 1
355 . 1 . 1 86 86 ARG CA C 13 56.14713566 0 . 1 . . . . . 86 ARG CA . 51782 1
356 . 1 . 1 86 86 ARG CB C 13 30.22159067 0 . 1 . . . . . 86 ARG CB . 51782 1
357 . 1 . 1 86 86 ARG N N 15 122.8540549 0.002434147908 . 1 . . . . . 86 ARG N . 51782 1
358 . 1 . 1 87 87 LEU H H 1 7.91494284 0.0005099972852 . 1 . . . . . 87 LEU H . 51782 1
359 . 1 . 1 87 87 LEU C C 13 177.0636402 0 . 1 . . . . . 87 LEU C . 51782 1
360 . 1 . 1 87 87 LEU CA C 13 55.41795882 0 . 1 . . . . . 87 LEU CA . 51782 1
361 . 1 . 1 87 87 LEU CB C 13 42.02715178 0 . 1 . . . . . 87 LEU CB . 51782 1
362 . 1 . 1 87 87 LEU N N 15 121.826033 0.001814306173 . 1 . . . . . 87 LEU N . 51782 1
363 . 1 . 1 88 88 HIS H H 1 8.098163418 0.002646291155 . 1 . . . . . 88 HIS H . 51782 1
364 . 1 . 1 88 88 HIS C C 13 175.2616595 0 . 1 . . . . . 88 HIS C . 51782 1
365 . 1 . 1 88 88 HIS CA C 13 56.11675329 0 . 1 . . . . . 88 HIS CA . 51782 1
366 . 1 . 1 88 88 HIS CB C 13 29.94814935 0 . 1 . . . . . 88 HIS CB . 51782 1
367 . 1 . 1 88 88 HIS N N 15 119.2515155 0.01264820535 . 1 . . . . . 88 HIS N . 51782 1
368 . 1 . 1 89 89 MET H H 1 8.027483046 0.003042685292 . 1 . . . . . 89 MET H . 51782 1
369 . 1 . 1 89 89 MET C C 13 176.1323385 0 . 1 . . . . . 89 MET C . 51782 1
370 . 1 . 1 89 89 MET CA C 13 55.48616715 0 . 1 . . . . . 89 MET CA . 51782 1
371 . 1 . 1 89 89 MET CB C 13 32.51134934 0 . 1 . . . . . 89 MET CB . 51782 1
372 . 1 . 1 89 89 MET N N 15 121.0965999 0 . 1 . . . . . 89 MET N . 51782 1
373 . 1 . 1 90 90 SER H H 1 8.188074224 0.002147038044 . 1 . . . . . 90 SER H . 51782 1
374 . 1 . 1 90 90 SER C C 13 174.4551679 0 . 1 . . . . . 90 SER C . 51782 1
375 . 1 . 1 90 90 SER CA C 13 58.61617008 0 . 1 . . . . . 90 SER CA . 51782 1
376 . 1 . 1 90 90 SER CB C 13 63.46022224 0 . 1 . . . . . 90 SER CB . 51782 1
377 . 1 . 1 90 90 SER N N 15 116.50849 0.002293213756 . 1 . . . . . 90 SER N . 51782 1
378 . 1 . 1 91 91 GLN H H 1 8.220054834 0.001969130319 . 1 . . . . . 91 GLN H . 51782 1
379 . 1 . 1 91 91 GLN C C 13 175.4435006 0 . 1 . . . . . 91 GLN C . 51782 1
380 . 1 . 1 91 91 GLN CA C 13 55.85784724 0 . 1 . . . . . 91 GLN CA . 51782 1
381 . 1 . 1 91 91 GLN CB C 13 29.08325089 0 . 1 . . . . . 91 GLN CB . 51782 1
382 . 1 . 1 91 91 GLN N N 15 121.5102701 0.00007792 . 1 . . . . . 91 GLN N . 51782 1
383 . 1 . 1 92 92 HIS H H 1 8.057601634 0.001829607185 . 1 . . . . . 92 HIS H . 51782 1
384 . 1 . 1 92 92 HIS C C 13 174.5919671 0 . 1 . . . . . 92 HIS C . 51782 1
385 . 1 . 1 92 92 HIS CA C 13 55.78784476 0 . 1 . . . . . 92 HIS CA . 51782 1
386 . 1 . 1 92 92 HIS CB C 13 30.19508989 0 . 1 . . . . . 92 HIS CB . 51782 1
387 . 1 . 1 92 92 HIS N N 15 119.6178617 0.006092237842 . 1 . . . . . 92 HIS N . 51782 1
388 . 1 . 1 93 93 TYR H H 1 7.911755743 0.002364398042 . 1 . . . . . 93 TYR H . 51782 1
389 . 1 . 1 93 93 TYR C C 13 175.229261 0 . 1 . . . . . 93 TYR C . 51782 1
390 . 1 . 1 93 93 TYR CA C 13 57.81308876 0 . 1 . . . . . 93 TYR CA . 51782 1
391 . 1 . 1 93 93 TYR CB C 13 38.6296323 0 . 1 . . . . . 93 TYR CB . 51782 1
392 . 1 . 1 93 93 TYR N N 15 121.47916 0.0000013487 . 1 . . . . . 93 TYR N . 51782 1
393 . 1 . 1 94 94 GLN H H 1 8.102507293 0.001344870599 . 1 . . . . . 94 GLN H . 51782 1
394 . 1 . 1 94 94 GLN C C 13 175.1521686 0 . 1 . . . . . 94 GLN C . 51782 1
395 . 1 . 1 94 94 GLN CA C 13 55.34280703 0 . 1 . . . . . 94 GLN CA . 51782 1
396 . 1 . 1 94 94 GLN CB C 13 29.44229252 0 . 1 . . . . . 94 GLN CB . 51782 1
397 . 1 . 1 94 94 GLN N N 15 122.6307947 0.005550499715 . 1 . . . . . 94 GLN N . 51782 1
398 . 1 . 1 95 95 SER H H 1 8.133976713 0.001745089163 . 1 . . . . . 95 SER H . 51782 1
399 . 1 . 1 95 95 SER C C 13 174.3114493 0 . 1 . . . . . 95 SER C . 51782 1
400 . 1 . 1 95 95 SER CA C 13 58.13661346 0 . 1 . . . . . 95 SER CA . 51782 1
401 . 1 . 1 95 95 SER CB C 13 63.76288354 0 . 1 . . . . . 95 SER CB . 51782 1
402 . 1 . 1 95 95 SER N N 15 117.266232 0.008310391647 . 1 . . . . . 95 SER N . 51782 1
403 . 1 . 1 96 96 GLY H H 1 8.064684451 0.0008784122771 . 1 . . . . . 96 GLY H . 51782 1
404 . 1 . 1 96 96 GLY C C 13 171.2182367 0 . 1 . . . . . 96 GLY C . 51782 1
405 . 1 . 1 96 96 GLY CA C 13 44.36177142 0 . 1 . . . . . 96 GLY CA . 51782 1
406 . 1 . 1 96 96 GLY N N 15 110.6021669 0.002790606841 . 1 . . . . . 96 GLY N . 51782 1
407 . 1 . 1 97 97 PRO C C 13 176.7916616 0 . 1 . . . . . 97 PRO C . 51782 1
408 . 1 . 1 97 97 PRO CA C 13 62.66790139 0 . 1 . . . . . 97 PRO CA . 51782 1
409 . 1 . 1 97 97 PRO CB C 13 31.91078551 0 . 1 . . . . . 97 PRO CB . 51782 1
410 . 1 . 1 98 98 VAL H H 1 8.156517976 0.001204407222 . 1 . . . . . 98 VAL H . 51782 1
411 . 1 . 1 98 98 VAL C C 13 174.5773724 0 . 1 . . . . . 98 VAL C . 51782 1
412 . 1 . 1 98 98 VAL CA C 13 59.78773131 0 . 1 . . . . . 98 VAL CA . 51782 1
413 . 1 . 1 98 98 VAL CB C 13 32.32741389 0 . 1 . . . . . 98 VAL CB . 51782 1
414 . 1 . 1 98 98 VAL N N 15 122.0696233 0.003989393047 . 1 . . . . . 98 VAL N . 51782 1
415 . 1 . 1 99 99 PRO C C 13 177.2366955 0 . 1 . . . . . 99 PRO C . 51782 1
416 . 1 . 1 99 99 PRO CA C 13 63.4315336 0 . 1 . . . . . 99 PRO CA . 51782 1
417 . 1 . 1 99 99 PRO CB C 13 31.95075837 0 . 1 . . . . . 99 PRO CB . 51782 1
418 . 1 . 1 100 100 GLY H H 1 8.381734091 0.001097840029 . 1 . . . . . 100 GLY H . 51782 1
419 . 1 . 1 100 100 GLY C C 13 174.1412761 0 . 1 . . . . . 100 GLY C . 51782 1
420 . 1 . 1 100 100 GLY CA C 13 45.05751448 0 . 1 . . . . . 100 GLY CA . 51782 1
421 . 1 . 1 100 100 GLY N N 15 109.5097797 0 . 1 . . . . . 100 GLY N . 51782 1
422 . 1 . 1 101 101 THR H H 1 7.771464614 0.001349008922 . 1 . . . . . 101 THR H . 51782 1
423 . 1 . 1 101 101 THR C C 13 174.0771685 0 . 1 . . . . . 101 THR C . 51782 1
424 . 1 . 1 101 101 THR CA C 13 61.72268888 0 . 1 . . . . . 101 THR CA . 51782 1
425 . 1 . 1 101 101 THR CB C 13 69.87087502 0 . 1 . . . . . 101 THR CB . 51782 1
426 . 1 . 1 101 101 THR N N 15 113.2782267 0.000001907 . 1 . . . . . 101 THR N . 51782 1
427 . 1 . 1 102 102 ALA H H 1 8.23567355 0.0005242354256 . 1 . . . . . 102 ALA H . 51782 1
428 . 1 . 1 102 102 ALA C C 13 177.5569297 0 . 1 . . . . . 102 ALA C . 51782 1
429 . 1 . 1 102 102 ALA CA C 13 52.17417292 0 . 1 . . . . . 102 ALA CA . 51782 1
430 . 1 . 1 102 102 ALA CB C 13 18.96381827 0 . 1 . . . . . 102 ALA CB . 51782 1
431 . 1 . 1 102 102 ALA N N 15 126.7116088 0.0008345266047 . 1 . . . . . 102 ALA N . 51782 1
432 . 1 . 1 103 103 ILE H H 1 8.03119725 0 . 1 . . . . . 103 ILE H . 51782 1
433 . 1 . 1 103 103 ILE C C 13 176.0134542 0 . 1 . . . . . 103 ILE C . 51782 1
434 . 1 . 1 103 103 ILE CA C 13 61.09878157 0 . 1 . . . . . 103 ILE CA . 51782 1
435 . 1 . 1 103 103 ILE CB C 13 38.41454832 0 . 1 . . . . . 103 ILE CB . 51782 1
436 . 1 . 1 103 103 ILE N N 15 120.276446 0.01232113262 . 1 . . . . . 103 ILE N . 51782 1
437 . 1 . 1 104 104 ASN H H 1 8.377355087 0.0003365334618 . 1 . . . . . 104 ASN H . 51782 1
438 . 1 . 1 104 104 ASN C C 13 175.4009639 0 . 1 . . . . . 104 ASN C . 51782 1
439 . 1 . 1 104 104 ASN CA C 13 53.17086056 0 . 1 . . . . . 104 ASN CA . 51782 1
440 . 1 . 1 104 104 ASN CB C 13 38.56544527 0 . 1 . . . . . 104 ASN CB . 51782 1
441 . 1 . 1 104 104 ASN N N 15 122.377094 0.002315379834 . 1 . . . . . 104 ASN N . 51782 1
442 . 1 . 1 105 105 GLY H H 1 8.19875468 0.001247927369 . 1 . . . . . 105 GLY H . 51782 1
443 . 1 . 1 105 105 GLY C C 13 173.9187375 0 . 1 . . . . . 105 GLY C . 51782 1
444 . 1 . 1 105 105 GLY CA C 13 45.15616428 0 . 1 . . . . . 105 GLY CA . 51782 1
445 . 1 . 1 105 105 GLY N N 15 109.2464937 0 . 1 . . . . . 105 GLY N . 51782 1
446 . 1 . 1 106 106 THR H H 1 7.875045113 0.00102070512 . 1 . . . . . 106 THR H . 51782 1
447 . 1 . 1 106 106 THR C C 13 174.168374 0 . 1 . . . . . 106 THR C . 51782 1
448 . 1 . 1 106 106 THR CA C 13 61.66488622 0 . 1 . . . . . 106 THR CA . 51782 1
449 . 1 . 1 106 106 THR CB C 13 69.7932692 0 . 1 . . . . . 106 THR CB . 51782 1
450 . 1 . 1 106 106 THR N N 15 113.7384626 0.004636258828 . 1 . . . . . 106 THR N . 51782 1
451 . 1 . 1 107 107 LEU H H 1 8.119519136 0.0009006887357 . 1 . . . . . 107 LEU H . 51782 1
452 . 1 . 1 107 107 LEU C C 13 174.9407915 0 . 1 . . . . . 107 LEU C . 51782 1
453 . 1 . 1 107 107 LEU CA C 13 52.86004153 0 . 1 . . . . . 107 LEU CA . 51782 1
454 . 1 . 1 107 107 LEU CB C 13 41.41496103 0 . 1 . . . . . 107 LEU CB . 51782 1
455 . 1 . 1 107 107 LEU N N 15 126.1599867 0.000002336 . 1 . . . . . 107 LEU N . 51782 1
456 . 1 . 1 108 108 PRO C C 13 176.6102067 0 . 1 . . . . . 108 PRO C . 51782 1
457 . 1 . 1 108 108 PRO CA C 13 62.68638003 0 . 1 . . . . . 108 PRO CA . 51782 1
458 . 1 . 1 108 108 PRO CB C 13 31.73116152 0 . 1 . . . . . 108 PRO CB . 51782 1
459 . 1 . 1 109 109 LEU H H 1 8.189850406 0.001976243282 . 1 . . . . . 109 LEU H . 51782 1
460 . 1 . 1 109 109 LEU C C 13 177.4306738 0 . 1 . . . . . 109 LEU C . 51782 1
461 . 1 . 1 109 109 LEU CA C 13 54.99893226 0 . 1 . . . . . 109 LEU CA . 51782 1
462 . 1 . 1 109 109 LEU CB C 13 41.98949347 0 . 1 . . . . . 109 LEU CB . 51782 1
463 . 1 . 1 109 109 LEU N N 15 122.1526163 0.007171590531 . 1 . . . . . 109 LEU N . 51782 1
464 . 1 . 1 110 110 SER H H 1 8.092716775 0.0009941450822 . 1 . . . . . 110 SER H . 51782 1
465 . 1 . 1 110 110 SER C C 13 173.7804541 0 . 1 . . . . . 110 SER C . 51782 1
466 . 1 . 1 110 110 SER CA C 13 58.03251958 0 . 1 . . . . . 110 SER CA . 51782 1
467 . 1 . 1 110 110 SER CB C 13 63.64612674 0 . 1 . . . . . 110 SER CB . 51782 1
468 . 1 . 1 110 110 SER N N 15 115.9504141 0.006204205649 . 1 . . . . . 110 SER N . 51782 1
469 . 1 . 1 111 111 HIS H H 1 8.118102282 0.001083569538 . 1 . . . . . 111 HIS H . 51782 1
470 . 1 . 1 111 111 HIS C C 13 173.6568064 0 . 1 . . . . . 111 HIS C . 51782 1
471 . 1 . 1 111 111 HIS CA C 13 55.46064669 0 . 1 . . . . . 111 HIS CA . 51782 1
472 . 1 . 1 111 111 HIS CB C 13 29.79248966 0 . 1 . . . . . 111 HIS CB . 51782 1
473 . 1 . 1 111 111 HIS N N 15 120.3178113 0.007625904716 . 1 . . . . . 111 HIS N . 51782 1
474 . 1 . 1 112 112 MET H H 1 7.932375614 0.007657799579 . 1 . . . . . 112 MET H . 51782 1
475 . 1 . 1 112 112 MET C C 13 180.8778341 0 . 1 . . . . . 112 MET C . 51782 1
476 . 1 . 1 112 112 MET CA C 13 56.89496042 0 . 1 . . . . . 112 MET CA . 51782 1
477 . 1 . 1 112 112 MET CB C 13 33.27935578 0 . 1 . . . . . 112 MET CB . 51782 1
478 . 1 . 1 112 112 MET N N 15 126.4861773 0.007133946939 . 1 . . . . . 112 MET N . 51782 1
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