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 53598
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'alpha-synuclein PD1 CSF-derived fibrils'
_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
5 '2D 1H-15N HSQC-CP' . . . 53598 1
6 '2D 1H-13C HSQC-CP' . . . 53598 1
7 '3D (H)CANH' . . . 53598 1
8 '3D (HCO)CA(CO)NH' . . . 53598 1
9 '3D (H)NCAH' . . . 53598 1
10 '3D (H)N(CO)CAH' . . . 53598 1
11 '3D (H)CBCAH' . . . 53598 1
12 '3D (H)CONH' . . . 53598 1
13 '3D (H)CO(CA)NH' . . . 53598 1
14 '3D (HCA)CB(CA)NH' . . . 53598 1
28 '2D 1H-15N HSQC-J' . . . 53598 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 . . 53598 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 2 2 ASP H H 1 8.622777746 0.005252130693 . . . . . . . 2 ASP H . 53598 1
2 . 1 . 1 2 2 ASP HA H 1 5.403784878 0.007060211038 . . . . . . . 2 ASP HA . 53598 1
3 . 1 . 1 2 2 ASP C C 13 174.4957072 0 . . . . . . . 2 ASP C . 53598 1
4 . 1 . 1 2 2 ASP CA C 13 54.48159743 0.04817769373 . . . . . . . 2 ASP CA . 53598 1
5 . 1 . 1 2 2 ASP CB C 13 38.86205554 0 . . . . . . . 2 ASP CB . 53598 1
6 . 1 . 1 2 2 ASP N N 15 126.7930884 0.05845088655 . . . . . . . 2 ASP N . 53598 1
7 . 1 . 1 3 3 VAL H H 1 9.092127239 0.01142644145 . . . . . . . 3 VAL H . 53598 1
8 . 1 . 1 3 3 VAL HA H 1 5.242457227 0.00359855898 . . . . . . . 3 VAL HA . 53598 1
9 . 1 . 1 3 3 VAL C C 13 175.4654767 0 . . . . . . . 3 VAL C . 53598 1
10 . 1 . 1 3 3 VAL CA C 13 61.58058172 0.02815582932 . . . . . . . 3 VAL CA . 53598 1
11 . 1 . 1 3 3 VAL CB C 13 34.6398346 0.08288047302 . . . . . . . 3 VAL CB . 53598 1
12 . 1 . 1 3 3 VAL N N 15 131.40851 0.1017103899 . . . . . . . 3 VAL N . 53598 1
13 . 1 . 1 4 4 PHE H H 1 8.944861624 0.01511288692 . . . . . . . 4 PHE H . 53598 1
14 . 1 . 1 4 4 PHE HA H 1 5.566608115 0.001173171942 . . . . . . . 4 PHE HA . 53598 1
15 . 1 . 1 4 4 PHE CA C 13 61.52331423 0.05950188025 . . . . . . . 4 PHE CA . 53598 1
16 . 1 . 1 4 4 PHE N N 15 126.7032051 0.06336318046 . . . . . . . 4 PHE N . 53598 1
17 . 1 . 1 5 5 MET N N 15 124.9979526 0 . . . . . . . 5 MET N . 53598 1
18 . 1 . 1 9 9 SER H H 1 8.639300001 0.03893004954 . . . . . . . 9 SER H . 53598 1
19 . 1 . 1 9 9 SER HA H 1 5.908608115 0.02567204782 . . . . . . . 9 SER HA . 53598 1
20 . 1 . 1 9 9 SER CA C 13 54.63721656 0.03513185102 . . . . . . . 9 SER CA . 53598 1
21 . 1 . 1 9 9 SER CB C 13 63.70160168 0.06845565814 . . . . . . . 9 SER CB . 53598 1
22 . 1 . 1 9 9 SER N N 15 116.2930573 0.07166870196 . . . . . . . 9 SER N . 53598 1
23 . 1 . 1 10 10 LYS H H 1 8.70608245 0.0478630618 . . . . . . . 10 LYS H . 53598 1
24 . 1 . 1 10 10 LYS HA H 1 4.757023571 0.003609255369 . . . . . . . 10 LYS HA . 53598 1
25 . 1 . 1 10 10 LYS CA C 13 57.31595365 0.02380287877 . . . . . . . 10 LYS CA . 53598 1
26 . 1 . 1 10 10 LYS CB C 13 29.09648854 0.002226212133 . . . . . . . 10 LYS CB . 53598 1
27 . 1 . 1 10 10 LYS N N 15 126.6889839 0.05348547016 . . . . . . . 10 LYS N . 53598 1
28 . 1 . 1 14 14 GLY H H 1 8.344709741 0.004471198621 . . . . . . . 14 GLY H . 53598 1
29 . 1 . 1 14 14 GLY HA2 H 1 3.562961523 0.005015040655 . . . . . . . 14 GLY HA2 . 53598 1
30 . 1 . 1 14 14 GLY HA3 H 1 3.562961523 0.005015040655 . . . . . . . 14 GLY HA3 . 53598 1
31 . 1 . 1 14 14 GLY C C 13 175.8632321 0 . . . . . . . 14 GLY C . 53598 1
32 . 1 . 1 14 14 GLY CA C 13 45.28871147 0.06699411713 . . . . . . . 14 GLY CA . 53598 1
33 . 1 . 1 14 14 GLY N N 15 110.9268133 0.06935755632 . . . . . . . 14 GLY N . 53598 1
34 . 1 . 1 15 15 VAL H H 1 8.557213512 0.02017496984 . . . . . . . 15 VAL H . 53598 1
35 . 1 . 1 15 15 VAL HA H 1 5.142660027 0.01279187454 . . . . . . . 15 VAL HA . 53598 1
36 . 1 . 1 15 15 VAL C C 13 174.2294317 0.02520260542 . . . . . . . 15 VAL C . 53598 1
37 . 1 . 1 15 15 VAL CA C 13 61.82382881 0.04163227622 . . . . . . . 15 VAL CA . 53598 1
38 . 1 . 1 15 15 VAL CB C 13 34.99036358 0.08458768166 . . . . . . . 15 VAL CB . 53598 1
39 . 1 . 1 15 15 VAL N N 15 123.2370728 0.1129940027 . . . . . . . 15 VAL N . 53598 1
40 . 1 . 1 16 16 VAL H H 1 9.126508541 0.03693692866 . . . . . . . 16 VAL H . 53598 1
41 . 1 . 1 16 16 VAL HA H 1 5.256838884 0.02010494041 . . . . . . . 16 VAL HA . 53598 1
42 . 1 . 1 16 16 VAL C C 13 172.6788069 0 . . . . . . . 16 VAL C . 53598 1
43 . 1 . 1 16 16 VAL CA C 13 60.46444824 0.02675883739 . . . . . . . 16 VAL CA . 53598 1
44 . 1 . 1 16 16 VAL CB C 13 37.35345761 0.06675160896 . . . . . . . 16 VAL CB . 53598 1
45 . 1 . 1 16 16 VAL N N 15 125.4316808 0.0404866371 . . . . . . . 16 VAL N . 53598 1
46 . 1 . 1 17 17 ALA H H 1 9.154936254 0.03925704684 . . . . . . . 17 ALA H . 53598 1
47 . 1 . 1 17 17 ALA HA H 1 5.549279809 0.01024728002 . . . . . . . 17 ALA HA . 53598 1
48 . 1 . 1 17 17 ALA C C 13 174.0827857 0.08630808648 . . . . . . . 17 ALA C . 53598 1
49 . 1 . 1 17 17 ALA CA C 13 49.84054552 0.05034019959 . . . . . . . 17 ALA CA . 53598 1
50 . 1 . 1 17 17 ALA CB C 13 22.43147104 0.03755753688 . . . . . . . 17 ALA CB . 53598 1
51 . 1 . 1 17 17 ALA N N 15 129.0854 0.0557902027 . . . . . . . 17 ALA N . 53598 1
52 . 1 . 1 18 18 ALA H H 1 9.114229376 0.05522735317 . . . . . . . 18 ALA H . 53598 1
53 . 1 . 1 18 18 ALA HA H 1 5.586625724 0.01614680034 . . . . . . . 18 ALA HA . 53598 1
54 . 1 . 1 18 18 ALA C C 13 174.9137199 0.01915371795 . . . . . . . 18 ALA C . 53598 1
55 . 1 . 1 18 18 ALA CA C 13 49.95209766 0.04036048332 . . . . . . . 18 ALA CA . 53598 1
56 . 1 . 1 18 18 ALA CB C 13 19.24949204 0.04689905395 . . . . . . . 18 ALA CB . 53598 1
57 . 1 . 1 18 18 ALA N N 15 126.189447 0.09046407271 . . . . . . . 18 ALA N . 53598 1
58 . 1 . 1 19 19 ALA H H 1 8.563743356 0.04022680831 . . . . . . . 19 ALA H . 53598 1
59 . 1 . 1 19 19 ALA HA H 1 4.366888115 0.01865045658 . . . . . . . 19 ALA HA . 53598 1
60 . 1 . 1 19 19 ALA C C 13 175.0035963 0.04513288492 . . . . . . . 19 ALA C . 53598 1
61 . 1 . 1 19 19 ALA CA C 13 50.88900907 0.04103958792 . . . . . . . 19 ALA CA . 53598 1
62 . 1 . 1 19 19 ALA CB C 13 21.20473295 0.04952837839 . . . . . . . 19 ALA CB . 53598 1
63 . 1 . 1 19 19 ALA N N 15 129.0758641 0.09861225522 . . . . . . . 19 ALA N . 53598 1
64 . 1 . 1 20 20 GLU H H 1 8.405346351 0.0662273954 . . . . . . . 20 GLU H . 53598 1
65 . 1 . 1 20 20 GLU HA H 1 4.269401492 0.002322385642 . . . . . . . 20 GLU HA . 53598 1
66 . 1 . 1 20 20 GLU C C 13 176.2025529 0.02288950654 . . . . . . . 20 GLU C . 53598 1
67 . 1 . 1 20 20 GLU CA C 13 55.39752633 0.02986079024 . . . . . . . 20 GLU CA . 53598 1
68 . 1 . 1 20 20 GLU CB C 13 36.18298628 0.01585421058 . . . . . . . 20 GLU CB . 53598 1
69 . 1 . 1 20 20 GLU N N 15 120.6489285 0.07119691452 . . . . . . . 20 GLU N . 53598 1
70 . 1 . 1 21 21 LYS H H 1 8.600185646 0.006093635108 . . . . . . . 21 LYS H . 53598 1
71 . 1 . 1 21 21 LYS HA H 1 4.936588134 0.01476636718 . . . . . . . 21 LYS HA . 53598 1
72 . 1 . 1 21 21 LYS C C 13 177.9564902 0 . . . . . . . 21 LYS C . 53598 1
73 . 1 . 1 21 21 LYS CA C 13 57.04570029 0.05649503148 . . . . . . . 21 LYS CA . 53598 1
74 . 1 . 1 21 21 LYS CB C 13 34.62951582 0.06228757103 . . . . . . . 21 LYS CB . 53598 1
75 . 1 . 1 21 21 LYS N N 15 118.901242 0.08804119674 . . . . . . . 21 LYS N . 53598 1
76 . 1 . 1 22 22 THR H H 1 8.055446107 0.03567375774 . . . . . . . 22 THR H . 53598 1
77 . 1 . 1 22 22 THR HA H 1 5.20620129 0.004485258329 . . . . . . . 22 THR HA . 53598 1
78 . 1 . 1 22 22 THR C C 13 175.0999281 0.001116379155 . . . . . . . 22 THR C . 53598 1
79 . 1 . 1 22 22 THR CA C 13 58.91439478 0.03833686233 . . . . . . . 22 THR CA . 53598 1
80 . 1 . 1 22 22 THR CB C 13 72.57930282 0.0298967156 . . . . . . . 22 THR CB . 53598 1
81 . 1 . 1 22 22 THR N N 15 112.5693642 0.0970386696 . . . . . . . 22 THR N . 53598 1
82 . 1 . 1 23 23 LYS H H 1 7.237843234 0.05754691445 . . . . . . . 23 LYS H . 53598 1
83 . 1 . 1 23 23 LYS HA H 1 4.939904857 0.00196673308 . . . . . . . 23 LYS HA . 53598 1
84 . 1 . 1 23 23 LYS C C 13 173.3030792 0.01956523224 . . . . . . . 23 LYS C . 53598 1
85 . 1 . 1 23 23 LYS CA C 13 56.65179052 0.02096197763 . . . . . . . 23 LYS CA . 53598 1
86 . 1 . 1 23 23 LYS CB C 13 37.54427255 0.03366036455 . . . . . . . 23 LYS CB . 53598 1
87 . 1 . 1 23 23 LYS N N 15 121.3544317 0.1454619419 . . . . . . . 23 LYS N . 53598 1
88 . 1 . 1 24 24 GLN H H 1 8.591264627 0.05768142666 . . . . . . . 24 GLN H . 53598 1
89 . 1 . 1 24 24 GLN HA H 1 5.501135578 0.00138980238 . . . . . . . 24 GLN HA . 53598 1
90 . 1 . 1 24 24 GLN C C 13 174.7378004 0.09725573656 . . . . . . . 24 GLN C . 53598 1
91 . 1 . 1 24 24 GLN CA C 13 53.54841548 0.04718604116 . . . . . . . 24 GLN CA . 53598 1
92 . 1 . 1 24 24 GLN CB C 13 33.23572269 0.582650217 . . . . . . . 24 GLN CB . 53598 1
93 . 1 . 1 24 24 GLN N N 15 126.0587255 0.06457901857 . . . . . . . 24 GLN N . 53598 1
94 . 1 . 1 25 25 GLY H H 1 8.521738195 0.04053718067 . . . . . . . 25 GLY H . 53598 1
95 . 1 . 1 25 25 GLY HA2 H 1 4.124143127 0.0001196903862 . . . . . . . 25 GLY HA2 . 53598 1
96 . 1 . 1 25 25 GLY HA3 H 1 3.799879603 0.0001203972882 . . . . . . . 25 GLY HA3 . 53598 1
97 . 1 . 1 25 25 GLY C C 13 171.213253 0.02501947838 . . . . . . . 25 GLY C . 53598 1
98 . 1 . 1 25 25 GLY CA C 13 48.30559307 0.06056393888 . . . . . . . 25 GLY CA . 53598 1
99 . 1 . 1 25 25 GLY N N 15 118.381942 0.1180624789 . . . . . . . 25 GLY N . 53598 1
100 . 1 . 1 26 26 VAL H H 1 8.330266701 0.01616531278 . . . . . . . 26 VAL H . 53598 1
101 . 1 . 1 26 26 VAL HA H 1 5.397726986 0.002629431796 . . . . . . . 26 VAL HA . 53598 1
102 . 1 . 1 26 26 VAL C C 13 172.2282387 0.03483680345 . . . . . . . 26 VAL C . 53598 1
103 . 1 . 1 26 26 VAL CA C 13 60.31750826 0.02627602725 . . . . . . . 26 VAL CA . 53598 1
104 . 1 . 1 26 26 VAL CB C 13 36.75382835 0.0383000927 . . . . . . . 26 VAL CB . 53598 1
105 . 1 . 1 26 26 VAL N N 15 123.2525338 0.05326563034 . . . . . . . 26 VAL N . 53598 1
106 . 1 . 1 27 27 ALA H H 1 8.631078562 0.03220349697 . . . . . . . 27 ALA H . 53598 1
107 . 1 . 1 27 27 ALA HA H 1 5.645957657 0.01027259817 . . . . . . . 27 ALA HA . 53598 1
108 . 1 . 1 27 27 ALA CA C 13 49.56738954 0.01331518583 . . . . . . . 27 ALA CA . 53598 1
109 . 1 . 1 27 27 ALA CB C 13 22.78312172 0.04638840231 . . . . . . . 27 ALA CB . 53598 1
110 . 1 . 1 27 27 ALA N N 15 128.72467 0.1465615446 . . . . . . . 27 ALA N . 53598 1
111 . 1 . 1 28 28 GLU H H 1 8.804927541 0.0486564282 . . . . . . . 28 GLU H . 53598 1
112 . 1 . 1 28 28 GLU HA H 1 5.56555076 0.001980707635 . . . . . . . 28 GLU HA . 53598 1
113 . 1 . 1 28 28 GLU C C 13 174.1268241 0.03363132443 . . . . . . . 28 GLU C . 53598 1
114 . 1 . 1 28 28 GLU CA C 13 54.06495993 0.0367291616 . . . . . . . 28 GLU CA . 53598 1
115 . 1 . 1 28 28 GLU CB C 13 34.51660592 0.0537139086 . . . . . . . 28 GLU CB . 53598 1
116 . 1 . 1 28 28 GLU N N 15 118.9864972 0.08821287345 . . . . . . . 28 GLU N . 53598 1
117 . 1 . 1 29 29 ALA H H 1 8.726548297 0.03951275123 . . . . . . . 29 ALA H . 53598 1
118 . 1 . 1 29 29 ALA HA H 1 5.404176782 0.0197437986 . . . . . . . 29 ALA HA . 53598 1
119 . 1 . 1 29 29 ALA C C 13 175.5194785 0.02045209863 . . . . . . . 29 ALA C . 53598 1
120 . 1 . 1 29 29 ALA CA C 13 49.94246189 0.05180553774 . . . . . . . 29 ALA CA . 53598 1
121 . 1 . 1 29 29 ALA CB C 13 23.06064356 0.1491268953 . . . . . . . 29 ALA CB . 53598 1
122 . 1 . 1 29 29 ALA N N 15 124.7825027 0.08937621536 . . . . . . . 29 ALA N . 53598 1
123 . 1 . 1 30 30 ALA H H 1 9.599733417 0.05710746396 . . . . . . . 30 ALA H . 53598 1
124 . 1 . 1 30 30 ALA HA H 1 4.133181789 0.01228377358 . . . . . . . 30 ALA HA . 53598 1
125 . 1 . 1 30 30 ALA C C 13 174.7746726 0.02483573471 . . . . . . . 30 ALA C . 53598 1
126 . 1 . 1 30 30 ALA CA C 13 52.13082141 0.03713690778 . . . . . . . 30 ALA CA . 53598 1
127 . 1 . 1 30 30 ALA CB C 13 18.04290016 0.04324914344 . . . . . . . 30 ALA CB . 53598 1
128 . 1 . 1 30 30 ALA N N 15 124.5328614 0.1014873135 . . . . . . . 30 ALA N . 53598 1
129 . 1 . 1 31 31 GLY H H 1 9.249256795 0.04713620753 . . . . . . . 31 GLY H . 53598 1
130 . 1 . 1 31 31 GLY HA2 H 1 4.747909956 0.0004681204113 . . . . . . . 31 GLY HA2 . 53598 1
131 . 1 . 1 31 31 GLY HA3 H 1 3.444153169 0.02955431656 . . . . . . . 31 GLY HA3 . 53598 1
132 . 1 . 1 31 31 GLY C C 13 174.9586597 0.02635859123 . . . . . . . 31 GLY C . 53598 1
133 . 1 . 1 31 31 GLY CA C 13 45.60318586 0.03054117755 . . . . . . . 31 GLY CA . 53598 1
134 . 1 . 1 31 31 GLY N N 15 106.436737 0.1202949788 . . . . . . . 31 GLY N . 53598 1
135 . 1 . 1 32 32 LYS H H 1 8.068303458 0.036921357 . . . . . . . 32 LYS H . 53598 1
136 . 1 . 1 32 32 LYS HA H 1 5.303781289 0.003529678547 . . . . . . . 32 LYS HA . 53598 1
137 . 1 . 1 32 32 LYS C C 13 175.4346913 0.01208348443 . . . . . . . 32 LYS C . 53598 1
138 . 1 . 1 32 32 LYS CA C 13 55.87029347 0.05071779112 . . . . . . . 32 LYS CA . 53598 1
139 . 1 . 1 32 32 LYS CB C 13 35.68530016 0.04472040692 . . . . . . . 32 LYS CB . 53598 1
140 . 1 . 1 32 32 LYS N N 15 121.7421533 0.09561103274 . . . . . . . 32 LYS N . 53598 1
141 . 1 . 1 33 33 THR H H 1 8.730374601 0.04304298031 . . . . . . . 33 THR H . 53598 1
142 . 1 . 1 33 33 THR HA H 1 4.974729562 0.009324745755 . . . . . . . 33 THR HA . 53598 1
143 . 1 . 1 33 33 THR C C 13 173.4616782 0.03270158976 . . . . . . . 33 THR C . 53598 1
144 . 1 . 1 33 33 THR CA C 13 62.5666706 0.03901789297 . . . . . . . 33 THR CA . 53598 1
145 . 1 . 1 33 33 THR CB C 13 71.93361852 0.1051945094 . . . . . . . 33 THR CB . 53598 1
146 . 1 . 1 33 33 THR N N 15 121.8627563 0.1012268471 . . . . . . . 33 THR N . 53598 1
147 . 1 . 1 34 34 LYS H H 1 8.653872078 0.02703406571 . . . . . . . 34 LYS H . 53598 1
148 . 1 . 1 34 34 LYS HA H 1 4.845529101 0.008833414349 . . . . . . . 34 LYS HA . 53598 1
149 . 1 . 1 34 34 LYS CA C 13 55.63544618 0.01268101056 . . . . . . . 34 LYS CA . 53598 1
150 . 1 . 1 34 34 LYS CB C 13 37.54052209 0.03476604298 . . . . . . . 34 LYS CB . 53598 1
151 . 1 . 1 34 34 LYS N N 15 129.4539056 0.08345044453 . . . . . . . 34 LYS N . 53598 1
152 . 1 . 1 35 35 GLU H H 1 9.013628916 0.009223752934 . . . . . . . 35 GLU H . 53598 1
153 . 1 . 1 35 35 GLU HA H 1 5.558780778 0.001128091701 . . . . . . . 35 GLU HA . 53598 1
154 . 1 . 1 35 35 GLU C C 13 175.4958247 0.006491295605 . . . . . . . 35 GLU C . 53598 1
155 . 1 . 1 35 35 GLU CA C 13 53.44379772 0.03630704724 . . . . . . . 35 GLU CA . 53598 1
156 . 1 . 1 35 35 GLU CB C 13 32.361532 0.0728369054 . . . . . . . 35 GLU CB . 53598 1
157 . 1 . 1 35 35 GLU N N 15 125.616553 0.08986214765 . . . . . . . 35 GLU N . 53598 1
158 . 1 . 1 36 36 GLY H H 1 8.661874849 0.04086454823 . . . . . . . 36 GLY H . 53598 1
159 . 1 . 1 36 36 GLY HA2 H 1 4.238181849 0.01324137316 . . . . . . . 36 GLY HA2 . 53598 1
160 . 1 . 1 36 36 GLY HA3 H 1 3.811318014 0.009294577554 . . . . . . . 36 GLY HA3 . 53598 1
161 . 1 . 1 36 36 GLY C C 13 172.3040025 0.03171859392 . . . . . . . 36 GLY C . 53598 1
162 . 1 . 1 36 36 GLY CA C 13 48.58320888 0.06071080126 . . . . . . . 36 GLY CA . 53598 1
163 . 1 . 1 36 36 GLY N N 15 119.1330913 0.1216022892 . . . . . . . 36 GLY N . 53598 1
164 . 1 . 1 37 37 VAL H H 1 7.953061976 0.03428838233 . . . . . . . 37 VAL H . 53598 1
165 . 1 . 1 37 37 VAL HA H 1 5.182167527 0.02375281088 . . . . . . . 37 VAL HA . 53598 1
166 . 1 . 1 37 37 VAL C C 13 173.0240526 0.001760578876 . . . . . . . 37 VAL C . 53598 1
167 . 1 . 1 37 37 VAL CA C 13 60.20937721 0.02841583398 . . . . . . . 37 VAL CA . 53598 1
168 . 1 . 1 37 37 VAL CB C 13 35.61933576 0.2912615876 . . . . . . . 37 VAL CB . 53598 1
169 . 1 . 1 37 37 VAL N N 15 119.6464933 0.1217390773 . . . . . . . 37 VAL N . 53598 1
170 . 1 . 1 38 38 LEU H H 1 9.094573516 0.03829885177 . . . . . . . 38 LEU H . 53598 1
171 . 1 . 1 38 38 LEU HA H 1 5.846918195 0.003163131079 . . . . . . . 38 LEU HA . 53598 1
172 . 1 . 1 38 38 LEU C C 13 174.545008 0 . . . . . . . 38 LEU C . 53598 1
173 . 1 . 1 38 38 LEU CA C 13 54.52490435 0.03367493466 . . . . . . . 38 LEU CA . 53598 1
174 . 1 . 1 38 38 LEU CB C 13 45.37029143 0.04693008949 . . . . . . . 38 LEU CB . 53598 1
175 . 1 . 1 38 38 LEU N N 15 127.0887956 0.1248352656 . . . . . . . 38 LEU N . 53598 1
176 . 1 . 1 39 39 TYR CA C 13 55.69929993 0 . . . . . . . 39 TYR CA . 53598 1
177 . 1 . 1 39 39 TYR N N 15 123.4320278 0 . . . . . . . 39 TYR N . 53598 1
178 . 1 . 1 40 40 VAL H H 1 8.504877837 0.006099163901 . . . . . . . 40 VAL H . 53598 1
179 . 1 . 1 40 40 VAL HA H 1 5.015180943 0.0094054876 . . . . . . . 40 VAL HA . 53598 1
180 . 1 . 1 40 40 VAL CA C 13 60.80176691 0.06765615757 . . . . . . . 40 VAL CA . 53598 1
181 . 1 . 1 40 40 VAL CB C 13 36.52885841 0.0001621863304 . . . . . . . 40 VAL CB . 53598 1
182 . 1 . 1 40 40 VAL N N 15 128.8443824 0.0769373471 . . . . . . . 40 VAL N . 53598 1
183 . 1 . 1 41 41 GLY H H 1 8.711803479 0.00109019344 . . . . . . . 41 GLY H . 53598 1
184 . 1 . 1 41 41 GLY CA C 13 45.34020621 0.02624164411 . . . . . . . 41 GLY CA . 53598 1
185 . 1 . 1 41 41 GLY N N 15 111.6783018 0.237107068 . . . . . . . 41 GLY N . 53598 1
186 . 1 . 1 42 42 SER H H 1 8.379240913 0.007244476062 . . . . . . . 42 SER H . 53598 1
187 . 1 . 1 42 42 SER HA H 1 5.422937531 0.01579259846 . . . . . . . 42 SER HA . 53598 1
188 . 1 . 1 42 42 SER CA C 13 55.90217021 0.01948851382 . . . . . . . 42 SER CA . 53598 1
189 . 1 . 1 42 42 SER CB C 13 67.80533782 0.03572674373 . . . . . . . 42 SER CB . 53598 1
190 . 1 . 1 42 42 SER N N 15 116.9983568 0.07317021799 . . . . . . . 42 SER N . 53598 1
191 . 1 . 1 44 44 THR H H 1 7.070084409 0.007415759868 . . . . . . . 44 THR H . 53598 1
192 . 1 . 1 44 44 THR HA H 1 5.376999196 0.003723637168 . . . . . . . 44 THR HA . 53598 1
193 . 1 . 1 44 44 THR CA C 13 61.82599231 0.03405204969 . . . . . . . 44 THR CA . 53598 1
194 . 1 . 1 44 44 THR CB C 13 74.58726683 0.06223573447 . . . . . . . 44 THR CB . 53598 1
195 . 1 . 1 44 44 THR N N 15 115.1494433 0.05087095496 . . . . . . . 44 THR N . 53598 1
196 . 1 . 1 49 49 VAL CA C 13 60.38504173 0 . . . . . . . 49 VAL CA . 53598 1
197 . 1 . 1 50 50 HIS H H 1 8.641814726 0.01358281718 . . . . . . . 50 HIS H . 53598 1
198 . 1 . 1 50 50 HIS HA H 1 5.419154391 0.0007434321377 . . . . . . . 50 HIS HA . 53598 1
199 . 1 . 1 50 50 HIS C C 13 176.3105025 0.02799180042 . . . . . . . 50 HIS C . 53598 1
200 . 1 . 1 50 50 HIS CA C 13 53.70772216 0.04737850412 . . . . . . . 50 HIS CA . 53598 1
201 . 1 . 1 50 50 HIS CB C 13 33.023651 0.002739049306 . . . . . . . 50 HIS CB . 53598 1
202 . 1 . 1 50 50 HIS N N 15 125.9420177 0.02547943674 . . . . . . . 50 HIS N . 53598 1
203 . 1 . 1 51 51 GLY H H 1 9.37106958 0.03116129638 . . . . . . . 51 GLY H . 53598 1
204 . 1 . 1 51 51 GLY HA2 H 1 4.342573701 0.002550265071 . . . . . . . 51 GLY HA2 . 53598 1
205 . 1 . 1 51 51 GLY HA3 H 1 3.797647627 0.00267034535 . . . . . . . 51 GLY HA3 . 53598 1
206 . 1 . 1 51 51 GLY C C 13 170.4287027 0.04573386667 . . . . . . . 51 GLY C . 53598 1
207 . 1 . 1 51 51 GLY CA C 13 49.05577157 0.04597248113 . . . . . . . 51 GLY CA . 53598 1
208 . 1 . 1 51 51 GLY N N 15 116.6378524 0.09813961915 . . . . . . . 51 GLY N . 53598 1
209 . 1 . 1 52 52 VAL H H 1 9.086855112 0.01461686287 . . . . . . . 52 VAL H . 53598 1
210 . 1 . 1 52 52 VAL HA H 1 5.034244033 0.01225414668 . . . . . . . 52 VAL HA . 53598 1
211 . 1 . 1 52 52 VAL C C 13 175.0916986 0.02885861627 . . . . . . . 52 VAL C . 53598 1
212 . 1 . 1 52 52 VAL CA C 13 61.0953767 0.0561284799 . . . . . . . 52 VAL CA . 53598 1
213 . 1 . 1 52 52 VAL CB C 13 34.69983517 0.272259011 . . . . . . . 52 VAL CB . 53598 1
214 . 1 . 1 52 52 VAL N N 15 123.0644116 0.1083764181 . . . . . . . 52 VAL N . 53598 1
215 . 1 . 1 53 53 ALA H H 1 8.733615033 0.03188340245 . . . . . . . 53 ALA H . 53598 1
216 . 1 . 1 53 53 ALA HA H 1 5.533927074 0.003650672088 . . . . . . . 53 ALA HA . 53598 1
217 . 1 . 1 53 53 ALA C C 13 175.959843 0.01435090544 . . . . . . . 53 ALA C . 53598 1
218 . 1 . 1 53 53 ALA CA C 13 51.07894119 0.01676992868 . . . . . . . 53 ALA CA . 53598 1
219 . 1 . 1 53 53 ALA CB C 13 23.11319852 0.0762925122 . . . . . . . 53 ALA CB . 53598 1
220 . 1 . 1 53 53 ALA N N 15 131.7145531 0.07808347994 . . . . . . . 53 ALA N . 53598 1
221 . 1 . 1 54 54 THR H H 1 8.477927927 0.0174229266 . . . . . . . 54 THR H . 53598 1
222 . 1 . 1 54 54 THR HA H 1 4.936499508 0.005634430458 . . . . . . . 54 THR HA . 53598 1
223 . 1 . 1 54 54 THR C C 13 172.2082183 0.008534690573 . . . . . . . 54 THR C . 53598 1
224 . 1 . 1 54 54 THR CA C 13 62.93440366 0.02781289827 . . . . . . . 54 THR CA . 53598 1
225 . 1 . 1 54 54 THR CB C 13 69.99712943 0.06056859845 . . . . . . . 54 THR CB . 53598 1
226 . 1 . 1 54 54 THR N N 15 122.9430305 0.07523535723 . . . . . . . 54 THR N . 53598 1
227 . 1 . 1 55 55 VAL H H 1 9.270515738 0.0522534738 . . . . . . . 55 VAL H . 53598 1
228 . 1 . 1 55 55 VAL HA H 1 5.242133534 0.01407897122 . . . . . . . 55 VAL HA . 53598 1
229 . 1 . 1 55 55 VAL C C 13 174.9877736 0.07172151047 . . . . . . . 55 VAL C . 53598 1
230 . 1 . 1 55 55 VAL CA C 13 60.54384601 0.03263277324 . . . . . . . 55 VAL CA . 53598 1
231 . 1 . 1 55 55 VAL CB C 13 36.31188944 0.07130694125 . . . . . . . 55 VAL CB . 53598 1
232 . 1 . 1 55 55 VAL N N 15 126.195606 0.1141130995 . . . . . . . 55 VAL N . 53598 1
233 . 1 . 1 56 56 ALA H H 1 8.336021513 0.03173935257 . . . . . . . 56 ALA H . 53598 1
234 . 1 . 1 56 56 ALA HA H 1 5.810741719 0.01503478618 . . . . . . . 56 ALA HA . 53598 1
235 . 1 . 1 56 56 ALA CA C 13 50.31971884 0.03798087593 . . . . . . . 56 ALA CA . 53598 1
236 . 1 . 1 56 56 ALA CB C 13 23.05143494 0.01839262645 . . . . . . . 56 ALA CB . 53598 1
237 . 1 . 1 56 56 ALA N N 15 127.1327515 0.06161004086 . . . . . . . 56 ALA N . 53598 1
238 . 1 . 1 57 57 GLU H H 1 7.430708263 0.01945087431 . . . . . . . 57 GLU H . 53598 1
239 . 1 . 1 57 57 GLU HA H 1 4.421624689 0.002843785021 . . . . . . . 57 GLU HA . 53598 1
240 . 1 . 1 57 57 GLU C C 13 172.4233749 0 . . . . . . . 57 GLU C . 53598 1
241 . 1 . 1 57 57 GLU CA C 13 59.95962038 0.0536431496 . . . . . . . 57 GLU CA . 53598 1
242 . 1 . 1 57 57 GLU CB C 13 28.80311312 0.1488789753 . . . . . . . 57 GLU CB . 53598 1
243 . 1 . 1 57 57 GLU N N 15 120.9722853 0.058934202 . . . . . . . 57 GLU N . 53598 1
244 . 1 . 1 58 58 LYS H H 1 8.890000589 0.009921046874 . . . . . . . 58 LYS H . 53598 1
245 . 1 . 1 58 58 LYS HA H 1 4.343443138 0 . . . . . . . 58 LYS HA . 53598 1
246 . 1 . 1 58 58 LYS CA C 13 47.81500986 0.02140252145 . . . . . . . 58 LYS CA . 53598 1
247 . 1 . 1 58 58 LYS N N 15 119.0704013 0.1382493437 . . . . . . . 58 LYS N . 53598 1
248 . 1 . 1 59 59 THR H H 1 7.97439978 0.01844453609 . . . . . . . 59 THR H . 53598 1
249 . 1 . 1 59 59 THR HA H 1 5.249776329 0.003062181014 . . . . . . . 59 THR HA . 53598 1
250 . 1 . 1 59 59 THR CA C 13 59.32774708 0.01834264163 . . . . . . . 59 THR CA . 53598 1
251 . 1 . 1 59 59 THR CB C 13 68.63371737 0.2045134677 . . . . . . . 59 THR CB . 53598 1
252 . 1 . 1 59 59 THR N N 15 113.2518493 0.05380567706 . . . . . . . 59 THR N . 53598 1
253 . 1 . 1 60 60 LYS H H 1 8.7242036 0.05838359612 . . . . . . . 60 LYS H . 53598 1
254 . 1 . 1 60 60 LYS HA H 1 5.498087839 0.001309842078 . . . . . . . 60 LYS HA . 53598 1
255 . 1 . 1 60 60 LYS CA C 13 55.18300007 0.07783583885 . . . . . . . 60 LYS CA . 53598 1
256 . 1 . 1 60 60 LYS CB C 13 34.7146125 0.001405758967 . . . . . . . 60 LYS CB . 53598 1
257 . 1 . 1 60 60 LYS N N 15 125.534809 0.04949241381 . . . . . . . 60 LYS N . 53598 1
258 . 1 . 1 63 63 VAL CA C 13 60.88639188 0 . . . . . . . 63 VAL CA . 53598 1
259 . 1 . 1 64 64 THR H H 1 8.86753234 0.003787034189 . . . . . . . 64 THR H . 53598 1
260 . 1 . 1 64 64 THR HA H 1 5.34612667 0.01818094586 . . . . . . . 64 THR HA . 53598 1
261 . 1 . 1 64 64 THR C C 13 172.7420855 0.06715175463 . . . . . . . 64 THR C . 53598 1
262 . 1 . 1 64 64 THR CA C 13 61.93990952 0.03645803803 . . . . . . . 64 THR CA . 53598 1
263 . 1 . 1 64 64 THR CB C 13 70.05073946 0.03365873047 . . . . . . . 64 THR CB . 53598 1
264 . 1 . 1 64 64 THR N N 15 125.3930956 0.1117147557 . . . . . . . 64 THR N . 53598 1
265 . 1 . 1 65 65 ASN H H 1 8.956921085 0.02878003539 . . . . . . . 65 ASN H . 53598 1
266 . 1 . 1 65 65 ASN HA H 1 5.650741371 0.00478120393 . . . . . . . 65 ASN HA . 53598 1
267 . 1 . 1 65 65 ASN C C 13 173.1948187 0.03075355485 . . . . . . . 65 ASN C . 53598 1
268 . 1 . 1 65 65 ASN CA C 13 51.80588154 0.02675629248 . . . . . . . 65 ASN CA . 53598 1
269 . 1 . 1 65 65 ASN CB C 13 40.9942517 0.05070534227 . . . . . . . 65 ASN CB . 53598 1
270 . 1 . 1 65 65 ASN N N 15 122.9975467 0.1141063245 . . . . . . . 65 ASN N . 53598 1
271 . 1 . 1 66 66 VAL H H 1 9.858482395 0.0467680049 . . . . . . . 66 VAL H . 53598 1
272 . 1 . 1 66 66 VAL HA H 1 4.596932419 0.02451684827 . . . . . . . 66 VAL HA . 53598 1
273 . 1 . 1 66 66 VAL C C 13 174.8331216 0.07663471679 . . . . . . . 66 VAL C . 53598 1
274 . 1 . 1 66 66 VAL CA C 13 61.35692708 0.04189674809 . . . . . . . 66 VAL CA . 53598 1
275 . 1 . 1 66 66 VAL CB C 13 32.61884682 0.1522319176 . . . . . . . 66 VAL CB . 53598 1
276 . 1 . 1 66 66 VAL N N 15 123.9675795 0.06919037157 . . . . . . . 66 VAL N . 53598 1
277 . 1 . 1 67 67 GLY H H 1 8.482947383 0.05455581685 . . . . . . . 67 GLY H . 53598 1
278 . 1 . 1 67 67 GLY HA2 H 1 4.483069707 0.003069707183 . . . . . . . 67 GLY HA2 . 53598 1
279 . 1 . 1 67 67 GLY HA3 H 1 4.186148116 0.001828447781 . . . . . . . 67 GLY HA3 . 53598 1
280 . 1 . 1 67 67 GLY CA C 13 45.41738275 0.03931042578 . . . . . . . 67 GLY CA . 53598 1
281 . 1 . 1 67 67 GLY N N 15 118.7688049 0.05617455676 . . . . . . . 67 GLY N . 53598 1
282 . 1 . 1 68 68 GLY H H 1 7.590704333 0.004905633908 . . . . . . . 68 GLY H . 53598 1
283 . 1 . 1 68 68 GLY HA2 H 1 4.334217007 0.002240443441 . . . . . . . 68 GLY HA2 . 53598 1
284 . 1 . 1 68 68 GLY HA3 H 1 4.25192841 0.001904973432 . . . . . . . 68 GLY HA3 . 53598 1
285 . 1 . 1 68 68 GLY CA C 13 43.84895095 0.04640354786 . . . . . . . 68 GLY CA . 53598 1
286 . 1 . 1 68 68 GLY N N 15 108.9868223 0.03438468123 . . . . . . . 68 GLY N . 53598 1
287 . 1 . 1 69 69 ALA H H 1 8.422924551 0.0412642523 . . . . . . . 69 ALA H . 53598 1
288 . 1 . 1 69 69 ALA HA H 1 5.657232698 0.0106694657 . . . . . . . 69 ALA HA . 53598 1
289 . 1 . 1 69 69 ALA C C 13 175.0381583 0.0329536915 . . . . . . . 69 ALA C . 53598 1
290 . 1 . 1 69 69 ALA CA C 13 49.91761195 0.02686741343 . . . . . . . 69 ALA CA . 53598 1
291 . 1 . 1 69 69 ALA CB C 13 21.45897262 0.1649944659 . . . . . . . 69 ALA CB . 53598 1
292 . 1 . 1 69 69 ALA N N 15 125.6669789 0.1478329595 . . . . . . . 69 ALA N . 53598 1
293 . 1 . 1 70 70 VAL H H 1 8.576960851 0.02018267973 . . . . . . . 70 VAL H . 53598 1
294 . 1 . 1 70 70 VAL HA H 1 4.954383635 0.0035749362 . . . . . . . 70 VAL HA . 53598 1
295 . 1 . 1 70 70 VAL C C 13 175.1823712 0.02459910009 . . . . . . . 70 VAL C . 53598 1
296 . 1 . 1 70 70 VAL CA C 13 61.12858235 0.0177529095 . . . . . . . 70 VAL CA . 53598 1
297 . 1 . 1 70 70 VAL CB C 13 33.90626191 0.0513197029 . . . . . . . 70 VAL CB . 53598 1
298 . 1 . 1 70 70 VAL N N 15 122.0620095 0.09012368254 . . . . . . . 70 VAL N . 53598 1
299 . 1 . 1 71 71 VAL H H 1 8.84211397 0.01335667328 . . . . . . . 71 VAL H . 53598 1
300 . 1 . 1 71 71 VAL HA H 1 5.345779458 0.009549434761 . . . . . . . 71 VAL HA . 53598 1
301 . 1 . 1 71 71 VAL C C 13 173.5890971 0.03638075997 . . . . . . . 71 VAL C . 53598 1
302 . 1 . 1 71 71 VAL CA C 13 60.94134193 0.03681194113 . . . . . . . 71 VAL CA . 53598 1
303 . 1 . 1 71 71 VAL CB C 13 33.94799379 0.02392274486 . . . . . . . 71 VAL CB . 53598 1
304 . 1 . 1 71 71 VAL N N 15 131.7331889 0.06636211864 . . . . . . . 71 VAL N . 53598 1
305 . 1 . 1 72 72 THR H H 1 9.050792708 0.01718364014 . . . . . . . 72 THR H . 53598 1
306 . 1 . 1 72 72 THR HA H 1 5.660273275 0.004183242133 . . . . . . . 72 THR HA . 53598 1
307 . 1 . 1 72 72 THR C C 13 172.4104015 0.02588203221 . . . . . . . 72 THR C . 53598 1
308 . 1 . 1 72 72 THR CA C 13 60.46664708 0.03081319992 . . . . . . . 72 THR CA . 53598 1
309 . 1 . 1 72 72 THR CB C 13 70.54862204 0.03959372553 . . . . . . . 72 THR CB . 53598 1
310 . 1 . 1 72 72 THR N N 15 125.0709227 0.1334488403 . . . . . . . 72 THR N . 53598 1
311 . 1 . 1 73 73 GLY H H 1 9.10002927 0.05730945009 . . . . . . . 73 GLY H . 53598 1
312 . 1 . 1 73 73 GLY HA2 H 1 5.936743918 0.00123264531 . . . . . . . 73 GLY HA2 . 53598 1
313 . 1 . 1 73 73 GLY HA3 H 1 3.751497542 0.00889427266 . . . . . . . 73 GLY HA3 . 53598 1
314 . 1 . 1 73 73 GLY CA C 13 47.513009 0.07306301997 . . . . . . . 73 GLY CA . 53598 1
315 . 1 . 1 73 73 GLY N N 15 113.0011239 0.06718844664 . . . . . . . 73 GLY N . 53598 1
316 . 1 . 1 74 74 VAL H H 1 7.96263866 0.02904853434 . . . . . . . 74 VAL H . 53598 1
317 . 1 . 1 74 74 VAL HA H 1 3.833821208 0.01032816149 . . . . . . . 74 VAL HA . 53598 1
318 . 1 . 1 74 74 VAL CA C 13 69.35309419 0.05840795113 . . . . . . . 74 VAL CA . 53598 1
319 . 1 . 1 74 74 VAL CB C 13 29.16494239 0.2023513336 . . . . . . . 74 VAL CB . 53598 1
320 . 1 . 1 74 74 VAL N N 15 118.8633845 0.08163561205 . . . . . . . 74 VAL N . 53598 1
321 . 1 . 1 75 75 THR H H 1 8.604467313 0.02702958868 . . . . . . . 75 THR H . 53598 1
322 . 1 . 1 75 75 THR HA H 1 4.664624483 0.003708674967 . . . . . . . 75 THR HA . 53598 1
323 . 1 . 1 75 75 THR CA C 13 62.73506839 0.01871467039 . . . . . . . 75 THR CA . 53598 1
324 . 1 . 1 75 75 THR CB C 13 69.09870696 0.05259428427 . . . . . . . 75 THR CB . 53598 1
325 . 1 . 1 75 75 THR N N 15 119.3693898 0.2081713776 . . . . . . . 75 THR N . 53598 1
326 . 1 . 1 76 76 ALA H H 1 9.299960704 0.02665854209 . . . . . . . 76 ALA H . 53598 1
327 . 1 . 1 76 76 ALA HA H 1 5.444456605 0.002642453959 . . . . . . . 76 ALA HA . 53598 1
328 . 1 . 1 76 76 ALA C C 13 174.0300291 0 . . . . . . . 76 ALA C . 53598 1
329 . 1 . 1 76 76 ALA CA C 13 50.36445802 0.02969453683 . . . . . . . 76 ALA CA . 53598 1
330 . 1 . 1 76 76 ALA CB C 13 22.04068067 0.02658842978 . . . . . . . 76 ALA CB . 53598 1
331 . 1 . 1 76 76 ALA N N 15 132.1563501 0.07902550759 . . . . . . . 76 ALA N . 53598 1
332 . 1 . 1 77 77 VAL H H 1 8.71225442 0.01804688872 . . . . . . . 77 VAL H . 53598 1
333 . 1 . 1 77 77 VAL HA H 1 4.983492694 0.002701025182 . . . . . . . 77 VAL HA . 53598 1
334 . 1 . 1 77 77 VAL C C 13 172.3427892 0.04033668438 . . . . . . . 77 VAL C . 53598 1
335 . 1 . 1 77 77 VAL CA C 13 60.36084924 0.03802066464 . . . . . . . 77 VAL CA . 53598 1
336 . 1 . 1 77 77 VAL CB C 13 36.12847804 0.1020033871 . . . . . . . 77 VAL CB . 53598 1
337 . 1 . 1 77 77 VAL N N 15 121.9253263 0.06090891486 . . . . . . . 77 VAL N . 53598 1
338 . 1 . 1 78 78 ALA H H 1 8.981172521 0.04947961736 . . . . . . . 78 ALA H . 53598 1
339 . 1 . 1 78 78 ALA HA H 1 5.496428803 0 . . . . . . . 78 ALA HA . 53598 1
340 . 1 . 1 78 78 ALA CA C 13 49.44984601 0.00781304658 . . . . . . . 78 ALA CA . 53598 1
341 . 1 . 1 78 78 ALA CB C 13 20.80635698 0.03352246665 . . . . . . . 78 ALA CB . 53598 1
342 . 1 . 1 78 78 ALA N N 15 129.5621316 0.2615665937 . . . . . . . 78 ALA N . 53598 1
343 . 1 . 1 80 80 LYS CA C 13 55.19713071 0 . . . . . . . 80 LYS CA . 53598 1
344 . 1 . 1 81 81 THR H H 1 8.791138843 0.002812987425 . . . . . . . 81 THR H . 53598 1
345 . 1 . 1 81 81 THR HA H 1 4.270596438 0.004450857626 . . . . . . . 81 THR HA . 53598 1
346 . 1 . 1 81 81 THR C C 13 172.6879168 0 . . . . . . . 81 THR C . 53598 1
347 . 1 . 1 81 81 THR CA C 13 63.38202018 0.0911640436 . . . . . . . 81 THR CA . 53598 1
348 . 1 . 1 81 81 THR CB C 13 65.68521522 0.1071815596 . . . . . . . 81 THR CB . 53598 1
349 . 1 . 1 81 81 THR N N 15 122.8720068 0.1343836322 . . . . . . . 81 THR N . 53598 1
350 . 1 . 1 82 82 VAL H H 1 7.756689479 0.0581125305 . . . . . . . 82 VAL H . 53598 1
351 . 1 . 1 82 82 VAL HA H 1 5.423043567 0.01596145826 . . . . . . . 82 VAL HA . 53598 1
352 . 1 . 1 82 82 VAL C C 13 173.7383977 0 . . . . . . . 82 VAL C . 53598 1
353 . 1 . 1 82 82 VAL CA C 13 59.87531692 0.03558607855 . . . . . . . 82 VAL CA . 53598 1
354 . 1 . 1 82 82 VAL CB C 13 35.74847189 0.006672382304 . . . . . . . 82 VAL CB . 53598 1
355 . 1 . 1 82 82 VAL N N 15 123.1383315 0.06092706016 . . . . . . . 82 VAL N . 53598 1
356 . 1 . 1 83 83 GLU H H 1 8.608844632 0.03023186688 . . . . . . . 83 GLU H . 53598 1
357 . 1 . 1 83 83 GLU HA H 1 5.989778951 0.004085064113 . . . . . . . 83 GLU HA . 53598 1
358 . 1 . 1 83 83 GLU CA C 13 53.76084469 0.06331642034 . . . . . . . 83 GLU CA . 53598 1
359 . 1 . 1 83 83 GLU CB C 13 34.61470345 0.04870610317 . . . . . . . 83 GLU CB . 53598 1
360 . 1 . 1 83 83 GLU N N 15 124.9484806 0.08242887097 . . . . . . . 83 GLU N . 53598 1
361 . 1 . 1 84 84 GLY H H 1 7.944557556 0.02197119516 . . . . . . . 84 GLY H . 53598 1
362 . 1 . 1 84 84 GLY HA2 H 1 5.508023436 0 . . . . . . . 84 GLY HA2 . 53598 1
363 . 1 . 1 84 84 GLY HA3 H 1 3.628993372 0.004969935412 . . . . . . . 84 GLY HA3 . 53598 1
364 . 1 . 1 84 84 GLY CA C 13 44.69676307 0.0469562972 . . . . . . . 84 GLY CA . 53598 1
365 . 1 . 1 84 84 GLY N N 15 111.3370483 0.1044829274 . . . . . . . 84 GLY N . 53598 1
366 . 1 . 1 85 85 ALA H H 1 8.781280171 0.03492288007 . . . . . . . 85 ALA H . 53598 1
367 . 1 . 1 85 85 ALA HA H 1 3.703554395 0.001237398804 . . . . . . . 85 ALA HA . 53598 1
368 . 1 . 1 85 85 ALA C C 13 176.2609994 0.00708615134 . . . . . . . 85 ALA C . 53598 1
369 . 1 . 1 85 85 ALA CA C 13 52.90039872 0.03851964518 . . . . . . . 85 ALA CA . 53598 1
370 . 1 . 1 85 85 ALA CB C 13 18.13123253 0.03673753002 . . . . . . . 85 ALA CB . 53598 1
371 . 1 . 1 85 85 ALA N N 15 118.6766217 0.02247673293 . . . . . . . 85 ALA N . 53598 1
372 . 1 . 1 86 86 GLY H H 1 8.48452534 0.03645769283 . . . . . . . 86 GLY H . 53598 1
373 . 1 . 1 86 86 GLY HA2 H 1 4.677202889 0.004820547155 . . . . . . . 86 GLY HA2 . 53598 1
374 . 1 . 1 86 86 GLY HA3 H 1 3.30385644 0.04786088551 . . . . . . . 86 GLY HA3 . 53598 1
375 . 1 . 1 86 86 GLY C C 13 172.3879729 0 . . . . . . . 86 GLY C . 53598 1
376 . 1 . 1 86 86 GLY CA C 13 45.57231794 0.06146396523 . . . . . . . 86 GLY CA . 53598 1
377 . 1 . 1 86 86 GLY N N 15 108.2966993 0.1010962213 . . . . . . . 86 GLY N . 53598 1
378 . 1 . 1 87 87 SER H H 1 8.486889322 0.01738391265 . . . . . . . 87 SER H . 53598 1
379 . 1 . 1 87 87 SER HA H 1 5.381097263 0.02283673588 . . . . . . . 87 SER HA . 53598 1
380 . 1 . 1 87 87 SER CA C 13 55.88063894 0.06470332598 . . . . . . . 87 SER CA . 53598 1
381 . 1 . 1 87 87 SER CB C 13 65.3030658 0.7388974018 . . . . . . . 87 SER CB . 53598 1
382 . 1 . 1 87 87 SER N N 15 120.0341358 0.06116602391 . . . . . . . 87 SER N . 53598 1
383 . 1 . 1 88 88 ILE H H 1 8.371161138 0.004311676737 . . . . . . . 88 ILE H . 53598 1
384 . 1 . 1 88 88 ILE HA H 1 4.996081348 0.01801250955 . . . . . . . 88 ILE HA . 53598 1
385 . 1 . 1 88 88 ILE CA C 13 60.76205395 0.02693689074 . . . . . . . 88 ILE CA . 53598 1
386 . 1 . 1 88 88 ILE CB C 13 43.02139631 0.2893408571 . . . . . . . 88 ILE CB . 53598 1
387 . 1 . 1 88 88 ILE N N 15 124.4458685 0.08785767862 . . . . . . . 88 ILE N . 53598 1
388 . 1 . 1 89 89 ALA H H 1 9.29176367 0.007721944193 . . . . . . . 89 ALA H . 53598 1
389 . 1 . 1 89 89 ALA HA H 1 5.474195347 0.003103878076 . . . . . . . 89 ALA HA . 53598 1
390 . 1 . 1 89 89 ALA C C 13 174.5519219 0 . . . . . . . 89 ALA C . 53598 1
391 . 1 . 1 89 89 ALA CA C 13 50.28487705 0.0273410052 . . . . . . . 89 ALA CA . 53598 1
392 . 1 . 1 89 89 ALA CB C 13 22.03715318 0.01703004798 . . . . . . . 89 ALA CB . 53598 1
393 . 1 . 1 89 89 ALA N N 15 131.8890023 0.02308301188 . . . . . . . 89 ALA N . 53598 1
394 . 1 . 1 90 90 ALA H H 1 8.933670496 0.009874623007 . . . . . . . 90 ALA H . 53598 1
395 . 1 . 1 90 90 ALA HA H 1 5.675310048 0.00561457995 . . . . . . . 90 ALA HA . 53598 1
396 . 1 . 1 90 90 ALA CA C 13 50.10722954 0.04208478867 . . . . . . . 90 ALA CA . 53598 1
397 . 1 . 1 90 90 ALA CB C 13 20.77398631 0.02605626673 . . . . . . . 90 ALA CB . 53598 1
398 . 1 . 1 90 90 ALA N N 15 123.4796329 0.1256055548 . . . . . . . 90 ALA N . 53598 1
399 . 1 . 1 91 91 ALA H H 1 9.201670772 0.02639313554 . . . . . . . 91 ALA H . 53598 1
400 . 1 . 1 91 91 ALA HA H 1 6.068144323 0.005758250876 . . . . . . . 91 ALA HA . 53598 1
401 . 1 . 1 91 91 ALA CA C 13 50.67557137 0.05312845569 . . . . . . . 91 ALA CA . 53598 1
402 . 1 . 1 91 91 ALA CB C 13 21.78326021 0.1392575461 . . . . . . . 91 ALA CB . 53598 1
403 . 1 . 1 91 91 ALA N N 15 132.555288 0.06159952651 . . . . . . . 91 ALA N . 53598 1
404 . 1 . 1 92 92 THR H H 1 9.148271844 0.04827722742 . . . . . . . 92 THR H . 53598 1
405 . 1 . 1 92 92 THR HA H 1 5.734458887 0.002209316233 . . . . . . . 92 THR HA . 53598 1
406 . 1 . 1 92 92 THR CA C 13 60.98251582 0.05338479914 . . . . . . . 92 THR CA . 53598 1
407 . 1 . 1 92 92 THR CB C 13 71.39650065 0.03422284999 . . . . . . . 92 THR CB . 53598 1
408 . 1 . 1 92 92 THR N N 15 121.6624472 0.1298293179 . . . . . . . 92 THR N . 53598 1
409 . 1 . 1 93 93 GLY H H 1 9.158365552 0.02598275925 . . . . . . . 93 GLY H . 53598 1
410 . 1 . 1 93 93 GLY HA2 H 1 4.242963982 0 . . . . . . . 93 GLY HA2 . 53598 1
411 . 1 . 1 93 93 GLY HA3 H 1 3.740486736 0 . . . . . . . 93 GLY HA3 . 53598 1
412 . 1 . 1 93 93 GLY CA C 13 49.05696552 0.02020958067 . . . . . . . 93 GLY CA . 53598 1
413 . 1 . 1 93 93 GLY N N 15 117.0844818 0.05442551985 . . . . . . . 93 GLY N . 53598 1
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