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 53245
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name rGKAP_950-992_chemical-shifts
_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
2 '2D 1H-15N HSQC' . . . 53245 1
3 '2D 1H-13C HSQC aliphatic' . . . 53245 1
4 '2D 1H-13C HSQC aromatic' . . . 53245 1
5 '3D HNCACB' . . . 53245 1
6 '3D HN(CO)CACB' . . . 53245 1
7 '3D HNCO' . . . 53245 1
8 '3D i(HCA)CO(CA)NH' . . . 53245 1
9 '3D HBHA(CO)NH' . . . 53245 1
10 '4D HACANCOi' . . . 53245 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 . . 53245 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 4 4 MET C C 13 176.431403276712 0.00184979681606781 . 1 . . . . . 0 MET C . 53245 1
2 . 1 . 1 4 4 MET CA C 13 55.7872247933135 0.00584651523345839 . 1 . . . . . 0 MET CA . 53245 1
3 . 1 . 1 4 4 MET CB C 13 32.9207017353573 0.0113153815520083 . 1 . . . . . 0 MET CB . 53245 1
4 . 1 . 1 4 4 MET H H 1 8.47799035324715 0.0 . 1 . . . . . 0 MET H . 53245 1
5 . 1 . 1 4 4 MET HA H 1 4.48033473287115 0.00047697599073767 . 1 . . . . . 0 MET HA . 53245 1
6 . 1 . 1 4 4 MET HB2 H 1 2.05448920254434 0.0193476307402326 . . . . . . . 0 MET HB2 . 53245 1
7 . 1 . 1 4 4 MET HB3 H 1 2.01593214425225 0.0192094275518636 . . . . . . . 0 MET HB3 . 53245 1
8 . 1 . 1 4 4 MET N N 15 121.953724060208 0.0 . 1 . . . . . 0 MET N . 53245 1
9 . 1 . 1 5 5 SER C C 13 175.121016792327 0.00633119203975153 . 1 . . . . . 950 SER C . 53245 1
10 . 1 . 1 5 5 SER CA C 13 58.7696648142793 0.0310301307380365 . 1 . . . . . 950 SER CA . 53245 1
11 . 1 . 1 5 5 SER CB C 13 63.8106715434558 0.024847588392305 . 1 . . . . . 950 SER CB . 53245 1
12 . 1 . 1 5 5 SER H H 1 8.47718842429494 0.00231702284930534 . 1 . . . . . 950 SER H . 53245 1
13 . 1 . 1 5 5 SER HA H 1 4.45385392465012 0.00162575006887776 . 1 . . . . . 950 SER HA . 53245 1
14 . 1 . 1 5 5 SER HB2 H 1 3.96113424202355 0.0193590214925563 . . . . . . . 950 SER HB2 . 53245 1
15 . 1 . 1 5 5 SER HB3 H 1 3.96113424202355 0.0193590214925563 . . . . . . . 950 SER HB3 . 53245 1
16 . 1 . 1 5 5 SER N N 15 117.656663320243 0.00132715423119917 . 1 . . . . . 950 SER N . 53245 1
17 . 1 . 1 6 6 SER C C 13 175.237281620701 0.00350904461481857 . 1 . . . . . 951 SER C . 53245 1
18 . 1 . 1 6 6 SER CA C 13 59.1935813941319 0.0685918764197844 . 1 . . . . . 951 SER CA . 53245 1
19 . 1 . 1 6 6 SER CB C 13 63.5875121060098 0.0273591882921996 . 1 . . . . . 951 SER CB . 53245 1
20 . 1 . 1 6 6 SER H H 1 8.50497825165791 0.00194623529654742 . 1 . . . . . 951 SER H . 53245 1
21 . 1 . 1 6 6 SER HA H 1 4.43743382459933 0.000630254012210645 . 1 . . . . . 951 SER HA . 53245 1
22 . 1 . 1 6 6 SER HB2 H 1 3.95414309138532 0.0164433454735249 . . . . . . . 951 SER HB2 . 53245 1
23 . 1 . 1 6 6 SER HB3 H 1 3.92096662598879 0.0167331199229869 . . . . . . . 951 SER HB3 . 53245 1
24 . 1 . 1 6 6 SER N N 15 118.184880439771 0.0059553487567995 . 1 . . . . . 951 SER N . 53245 1
25 . 1 . 1 7 7 GLN C C 13 177.086984481681 0.00717931979496231 . 1 . . . . . 952 GLN C . 53245 1
26 . 1 . 1 7 7 GLN CA C 13 57.1525880710032 0.0108975800166996 . 1 . . . . . 952 GLN CA . 53245 1
27 . 1 . 1 7 7 GLN CB C 13 29.0445537827155 0.0150348721390644 . 1 . . . . . 952 GLN CB . 53245 1
28 . 1 . 1 7 7 GLN H H 1 8.42393600558048 0.00275362536288052 . 1 . . . . . 952 GLN H . 53245 1
29 . 1 . 1 7 7 GLN HA H 1 4.23914414380323 0.000961005493627897 . 1 . . . . . 952 GLN HA . 53245 1
30 . 1 . 1 7 7 GLN HB2 H 1 2.12365761550286 0.00105122790840785 . . . . . . . 952 GLN HB2 . 53245 1
31 . 1 . 1 7 7 GLN HB3 H 1 2.04059541359077 0.00492601568347393 . . . . . . . 952 GLN HB3 . 53245 1
32 . 1 . 1 7 7 GLN N N 15 122.125530760338 0.0015858803876288 . 1 . . . . . 952 GLN N . 53245 1
33 . 1 . 1 8 8 ARG C C 13 177.408579800038 0.00859270593243776 . 1 . . . . . 953 ARG C . 53245 1
34 . 1 . 1 8 8 ARG CA C 13 57.3627930037677 0.0614641686904746 . 1 . . . . . 953 ARG CA . 53245 1
35 . 1 . 1 8 8 ARG CB C 13 30.4778434077837 0.0308997391270942 . 1 . . . . . 953 ARG CB . 53245 1
36 . 1 . 1 8 8 ARG H H 1 8.29579411345473 0.00207532478284296 . 1 . . . . . 953 ARG H . 53245 1
37 . 1 . 1 8 8 ARG HA H 1 4.2405549047832 0.000378184909365329 . 1 . . . . . 953 ARG HA . 53245 1
38 . 1 . 1 8 8 ARG HB2 H 1 1.85140924730057 0.00137541474135937 . . . . . . . 953 ARG HB2 . 53245 1
39 . 1 . 1 8 8 ARG HB3 H 1 1.85140924730057 0.00137541474135937 . . . . . . . 953 ARG HB3 . 53245 1
40 . 1 . 1 8 8 ARG N N 15 121.583291238431 0.00385549968385618 . 1 . . . . . 953 ARG N . 53245 1
41 . 1 . 1 9 9 GLN C C 13 177.215527630966 0.00866447730414814 . 1 . . . . . 954 GLN C . 53245 1
42 . 1 . 1 9 9 GLN CA C 13 57.232680557304 0.00749601304564916 . 1 . . . . . 954 GLN CA . 53245 1
43 . 1 . 1 9 9 GLN CB C 13 29.1072245923956 0.00809672837817745 . 1 . . . . . 954 GLN CB . 53245 1
44 . 1 . 1 9 9 GLN H H 1 8.38913542622124 0.001754966224458 . 1 . . . . . 954 GLN H . 53245 1
45 . 1 . 1 9 9 GLN HA H 1 4.23474627602263 0.000540730456372101 . 1 . . . . . 954 GLN HA . 53245 1
46 . 1 . 1 9 9 GLN HB2 H 1 2.08969273114502 0.011351627986116 . . . . . . . 954 GLN HB2 . 53245 1
47 . 1 . 1 9 9 GLN HB3 H 1 2.08969273114502 0.011351627986116 . . . . . . . 954 GLN HB3 . 53245 1
48 . 1 . 1 9 9 GLN N N 15 121.129093537184 0.0034045278179471 . 1 . . . . . 954 GLN N . 53245 1
49 . 1 . 1 10 10 GLU C C 13 177.413574192207 0.000840021976699858 . 1 . . . . . 955 GLU C . 53245 1
50 . 1 . 1 10 10 GLU CA C 13 57.7746781669647 0.0746068241872271 . 1 . . . . . 955 GLU CA . 53245 1
51 . 1 . 1 10 10 GLU CB C 13 29.8497022564472 0.00716081932052501 . 1 . . . . . 955 GLU CB . 53245 1
52 . 1 . 1 10 10 GLU H H 1 8.45903436597186 0.000795871063444725 . 1 . . . . . 955 GLU H . 53245 1
53 . 1 . 1 10 10 GLU HA H 1 4.16677946018975 0.00137387910916102 . 1 . . . . . 955 GLU HA . 53245 1
54 . 1 . 1 10 10 GLU HB2 H 1 2.04838479536923 0.0083838506033704 . . . . . . . 955 GLU HB2 . 53245 1
55 . 1 . 1 10 10 GLU HB3 H 1 2.02959320723139 0.0104077375344553 . . . . . . . 955 GLU HB3 . 53245 1
56 . 1 . 1 10 10 GLU N N 15 121.692879699669 0.00282396186099123 . 1 . . . . . 955 GLU N . 53245 1
57 . 1 . 1 11 11 ALA C C 13 179.043392876739 0.00442137524607522 . 1 . . . . . 956 ALA C . 53245 1
58 . 1 . 1 11 11 ALA CA C 13 53.9930435623623 0.070580882586481 . 1 . . . . . 956 ALA CA . 53245 1
59 . 1 . 1 11 11 ALA CB C 13 18.6749744875081 0.0118769168586699 . 1 . . . . . 956 ALA CB . 53245 1
60 . 1 . 1 11 11 ALA H H 1 8.22153109741741 0.00199600324050042 . 1 . . . . . 956 ALA H . 53245 1
61 . 1 . 1 11 11 ALA HA H 1 4.19737117073341 0.00157479902189063 . 1 . . . . . 956 ALA HA . 53245 1
62 . 1 . 1 11 11 ALA HB1 H 1 1.44485331875676 0.00430806873419361 . . . . . . . 956 ALA HB . 53245 1
63 . 1 . 1 11 11 ALA HB2 H 1 1.44485331875676 0.00430806873419361 . . . . . . . 956 ALA HB . 53245 1
64 . 1 . 1 11 11 ALA HB3 H 1 1.44485331875676 0.00430806873419361 . . . . . . . 956 ALA HB . 53245 1
65 . 1 . 1 11 11 ALA N N 15 123.909910803719 0.00799431192057185 . 1 . . . . . 956 ALA N . 53245 1
66 . 1 . 1 12 12 ARG C C 13 177.433510920659 0.00272690893131294 . 1 . . . . . 957 ARG C . 53245 1
67 . 1 . 1 12 12 ARG CA C 13 57.7240966226955 0.032450900571859 . 1 . . . . . 957 ARG CA . 53245 1
68 . 1 . 1 12 12 ARG CB C 13 30.361768921804 0.0363121110359293 . 1 . . . . . 957 ARG CB . 53245 1
69 . 1 . 1 12 12 ARG H H 1 8.11227319166966 0.00197361738357527 . 1 . . . . . 957 ARG H . 53245 1
70 . 1 . 1 12 12 ARG HA H 1 4.17589010205465 0.00127373077359816 . 1 . . . . . 957 ARG HA . 53245 1
71 . 1 . 1 12 12 ARG HB2 H 1 1.85874241346016 0.00329735584078746 . . . . . . . 957 ARG HB2 . 53245 1
72 . 1 . 1 12 12 ARG HB3 H 1 1.85874241346016 0.00329735584078746 . . . . . . . 957 ARG HB3 . 53245 1
73 . 1 . 1 12 12 ARG N N 15 119.305370386092 0.00603257934043957 . 1 . . . . . 957 ARG N . 53245 1
74 . 1 . 1 13 13 LYS C C 13 177.929517462856 0.000818312582735813 . 1 . . . . . 958 LYS C . 53245 1
75 . 1 . 1 13 13 LYS CA C 13 58.0345116399239 0.0607613788068913 . 1 . . . . . 958 LYS CA . 53245 1
76 . 1 . 1 13 13 LYS CB C 13 32.7790720825003 0.0184585309150634 . 1 . . . . . 958 LYS CB . 53245 1
77 . 1 . 1 13 13 LYS H H 1 8.11313516431148 0.00164670500656263 . 1 . . . . . 958 LYS H . 53245 1
78 . 1 . 1 13 13 LYS HA H 1 4.1613937034515 0.00120361813951605 . 1 . . . . . 958 LYS HA . 53245 1
79 . 1 . 1 13 13 LYS HB2 H 1 1.85491076883006 0.00290543445241974 . . . . . . . 958 LYS HB2 . 53245 1
80 . 1 . 1 13 13 LYS HB3 H 1 1.85491076883006 0.00290543445241974 . . . . . . . 958 LYS HB3 . 53245 1
81 . 1 . 1 13 13 LYS N N 15 121.112096063366 0.00703181628340985 . 1 . . . . . 958 LYS N . 53245 1
82 . 1 . 1 14 14 ARG C C 13 177.431571809826 0.00373582361704162 . 1 . . . . . 959 ARG C . 53245 1
83 . 1 . 1 14 14 ARG CA C 13 57.5885483588208 0.0230870175239008 . 1 . . . . . 959 ARG CA . 53245 1
84 . 1 . 1 14 14 ARG CB C 13 30.6198189655826 0.0081427104126931 . 1 . . . . . 959 ARG CB . 53245 1
85 . 1 . 1 14 14 ARG H H 1 8.14982064039172 0.00185976614279226 . 1 . . . . . 959 ARG H . 53245 1
86 . 1 . 1 14 14 ARG HA H 1 4.22548396491867 0.000999620628405728 . 1 . . . . . 959 ARG HA . 53245 1
87 . 1 . 1 14 14 ARG HB2 H 1 1.85975152222947 0.0127376780934273 . . . . . . . 959 ARG HB2 . 53245 1
88 . 1 . 1 14 14 ARG HB3 H 1 1.85975152222947 0.0127376780934273 . . . . . . . 959 ARG HB3 . 53245 1
89 . 1 . 1 14 14 ARG N N 15 120.908184540707 0.00733846357046917 . 1 . . . . . 959 ARG N . 53245 1
90 . 1 . 1 15 15 LEU C C 13 178.236501480448 0.000780925925660818 . 1 . . . . . 960 LEU C . 53245 1
91 . 1 . 1 15 15 LEU CA C 13 56.3546516958387 0.0446052486837584 . 1 . . . . . 960 LEU CA . 53245 1
92 . 1 . 1 15 15 LEU CB C 13 42.1947950001822 0.00807943215449698 . 1 . . . . . 960 LEU CB . 53245 1
93 . 1 . 1 15 15 LEU H H 1 8.10599111261898 0.00166284648719921 . 1 . . . . . 960 LEU H . 53245 1
94 . 1 . 1 15 15 LEU HA H 1 4.27686303455666 0.000711432800408249 . 1 . . . . . 960 LEU HA . 53245 1
95 . 1 . 1 15 15 LEU HB2 H 1 1.70593071546679 0.0138922463334526 . . . . . . . 960 LEU HB2 . 53245 1
96 . 1 . 1 15 15 LEU HB3 H 1 1.66963206418632 0.0224064049470085 . . . . . . . 960 LEU HB3 . 53245 1
97 . 1 . 1 15 15 LEU N N 15 122.558526734856 0.00582579353080473 . 1 . . . . . 960 LEU N . 53245 1
98 . 1 . 1 16 16 MET C C 13 176.951865645113 0.00629030277257296 . 1 . . . . . 961 MET C . 53245 1
99 . 1 . 1 16 16 MET CA C 13 56.3545960855088 0.0545658046112618 . 1 . . . . . 961 MET CA . 53245 1
100 . 1 . 1 16 16 MET CB C 13 32.6666824516879 0.0186183458147553 . 1 . . . . . 961 MET CB . 53245 1
101 . 1 . 1 16 16 MET H H 1 8.24313650317688 0.00188334593357755 . 1 . . . . . 961 MET H . 53245 1
102 . 1 . 1 16 16 MET HA H 1 4.37523596093449 0.000302966492792871 . 1 . . . . . 961 MET HA . 53245 1
103 . 1 . 1 16 16 MET HB2 H 1 2.08069380192772 0.00943851132849915 . . . . . . . 961 MET HB2 . 53245 1
104 . 1 . 1 16 16 MET HB3 H 1 2.08069380192772 0.00943851132849915 . . . . . . . 961 MET HB3 . 53245 1
105 . 1 . 1 16 16 MET N N 15 119.927234425966 0.00506722497309438 . 1 . . . . . 961 MET N . 53245 1
106 . 1 . 1 17 17 ALA C C 13 178.269127217539 0.00323699372691057 . 1 . . . . . 962 ALA C . 53245 1
107 . 1 . 1 17 17 ALA CA C 13 53.2240918936403 0.0453793401466214 . 1 . . . . . 962 ALA CA . 53245 1
108 . 1 . 1 17 17 ALA CB C 13 18.8462648460858 0.016683556252742 . 1 . . . . . 962 ALA CB . 53245 1
109 . 1 . 1 17 17 ALA H H 1 8.10509273247287 0.0018377188123014 . 1 . . . . . 962 ALA H . 53245 1
110 . 1 . 1 17 17 ALA HA H 1 4.2384132772302 0.000222784374145927 . 1 . . . . . 962 ALA HA . 53245 1
111 . 1 . 1 17 17 ALA HB1 H 1 1.42506090316819 0.00158296434323028 . . . . . . . 962 ALA HB . 53245 1
112 . 1 . 1 17 17 ALA HB2 H 1 1.42506090316819 0.00158296434323028 . . . . . . . 962 ALA HB . 53245 1
113 . 1 . 1 17 17 ALA HB3 H 1 1.42506090316819 0.00158296434323028 . . . . . . . 962 ALA HB . 53245 1
114 . 1 . 1 17 17 ALA N N 15 124.019057404555 0.0041851597247602 . 1 . . . . . 962 ALA N . 53245 1
115 . 1 . 1 18 18 ALA C C 13 178.516359334465 0.00122468566932554 . 1 . . . . . 963 ALA C . 53245 1
116 . 1 . 1 18 18 ALA CA C 13 53.1183834641155 0.0378502557514067 . 1 . . . . . 963 ALA CA . 53245 1
117 . 1 . 1 18 18 ALA CB C 13 18.9315514973384 0.0123723191003885 . 1 . . . . . 963 ALA CB . 53245 1
118 . 1 . 1 18 18 ALA H H 1 8.07203657159738 0.00183601757666295 . 1 . . . . . 963 ALA H . 53245 1
119 . 1 . 1 18 18 ALA HA H 1 4.26490859628358 0.000358286033423869 . 1 . . . . . 963 ALA HA . 53245 1
120 . 1 . 1 18 18 ALA HB1 H 1 1.43181989960674 0.00244152897249351 . . . . . . . 963 ALA HB . 53245 1
121 . 1 . 1 18 18 ALA HB2 H 1 1.43181989960674 0.00244152897249351 . . . . . . . 963 ALA HB . 53245 1
122 . 1 . 1 18 18 ALA HB3 H 1 1.43181989960674 0.00244152897249351 . . . . . . . 963 ALA HB . 53245 1
123 . 1 . 1 18 18 ALA N N 15 122.665541556514 0.00173727528792192 . 1 . . . . . 963 ALA N . 53245 1
124 . 1 . 1 19 19 LYS C C 13 177.249332795234 0.00801356951130787 . 1 . . . . . 964 LYS C . 53245 1
125 . 1 . 1 19 19 LYS CA C 13 57.0839039871748 0.0300022831844326 . 1 . . . . . 964 LYS CA . 53245 1
126 . 1 . 1 19 19 LYS CB C 13 32.8319219117175 0.0133639854945572 . 1 . . . . . 964 LYS CB . 53245 1
127 . 1 . 1 19 19 LYS H H 1 8.14403884560399 0.00185655889651396 . 1 . . . . . 964 LYS H . 53245 1
128 . 1 . 1 19 19 LYS HA H 1 4.2423242273662 0.00206220928429295 . 1 . . . . . 964 LYS HA . 53245 1
129 . 1 . 1 19 19 LYS HB2 H 1 1.82167283170126 0.00458473062882048 . . . . . . . 964 LYS HB2 . 53245 1
130 . 1 . 1 19 19 LYS HB3 H 1 1.82167283170126 0.00458473062882048 . . . . . . . 964 LYS HB3 . 53245 1
131 . 1 . 1 19 19 LYS N N 15 120.119905359758 0.00190520643098584 . 1 . . . . . 964 LYS N . 53245 1
132 . 1 . 1 20 20 ARG C C 13 176.567010703162 0.00724754809354273 . 1 . . . . . 965 ARG C . 53245 1
133 . 1 . 1 20 20 ARG CA C 13 56.8863683605909 0.034378630695789 . 1 . . . . . 965 ARG CA . 53245 1
134 . 1 . 1 20 20 ARG CB C 13 30.7853462081954 0.00577854846045822 . 1 . . . . . 965 ARG CB . 53245 1
135 . 1 . 1 20 20 ARG H H 1 8.20743701304275 0.00178598520544064 . 1 . . . . . 965 ARG H . 53245 1
136 . 1 . 1 20 20 ARG HA H 1 4.27008353027205 0.00100888731605807 . 1 . . . . . 965 ARG HA . 53245 1
137 . 1 . 1 20 20 ARG HB2 H 1 1.83782648210894 0.0148643867856344 . . . . . . . 965 ARG HB2 . 53245 1
138 . 1 . 1 20 20 ARG HB3 H 1 1.82813789488995 0.00517579956661945 . . . . . . . 965 ARG HB3 . 53245 1
139 . 1 . 1 20 20 ARG N N 15 121.760761465761 0.000597496557561233 . 1 . . . . . 965 ARG N . 53245 1
140 . 1 . 1 21 21 ALA C C 13 177.791161764517 0.00453242826596034 . 1 . . . . . 966 ALA C . 53245 1
141 . 1 . 1 21 21 ALA CA C 13 52.9676385894236 0.033049565967307 . 1 . . . . . 966 ALA CA . 53245 1
142 . 1 . 1 21 21 ALA CB C 13 19.1067717135248 0.0150659403853674 . 1 . . . . . 966 ALA CB . 53245 1
143 . 1 . 1 21 21 ALA H H 1 8.24263186278578 0.00170018740295155 . 1 . . . . . 966 ALA H . 53245 1
144 . 1 . 1 21 21 ALA HA H 1 4.27205628016009 0.00101236929978343 . 1 . . . . . 966 ALA HA . 53245 1
145 . 1 . 1 21 21 ALA HB1 H 1 1.41456451768671 0.00216894191185488 . . . . . . . 966 ALA HB . 53245 1
146 . 1 . 1 21 21 ALA HB2 H 1 1.41456451768671 0.00216894191185488 . . . . . . . 966 ALA HB . 53245 1
147 . 1 . 1 21 21 ALA HB3 H 1 1.41456451768671 0.00216894191185488 . . . . . . . 966 ALA HB . 53245 1
148 . 1 . 1 21 21 ALA N N 15 124.73966085901 0.00422463944255664 . 1 . . . . . 966 ALA N . 53245 1
149 . 1 . 1 22 22 ALA C C 13 178.014469940724 0.00338105185795191 . 1 . . . . . 967 ALA C . 53245 1
150 . 1 . 1 22 22 ALA CA C 13 52.9026100931739 0.0669492104944467 . 1 . . . . . 967 ALA CA . 53245 1
151 . 1 . 1 22 22 ALA CB C 13 19.1694431279954 0.00187907113115811 . 1 . . . . . 967 ALA CB . 53245 1
152 . 1 . 1 22 22 ALA H H 1 8.16981905595459 0.00175144481784758 . 1 . . . . . 967 ALA H . 53245 1
153 . 1 . 1 22 22 ALA HA H 1 4.30260818025943 0.000108293651518211 . 1 . . . . . 967 ALA HA . 53245 1
154 . 1 . 1 22 22 ALA HB1 H 1 1.42131804353816 0.00294005138304634 . . . . . . . 967 ALA HB . 53245 1
155 . 1 . 1 22 22 ALA HB2 H 1 1.42131804353816 0.00294005138304634 . . . . . . . 967 ALA HB . 53245 1
156 . 1 . 1 22 22 ALA HB3 H 1 1.42131804353816 0.00294005138304634 . . . . . . . 967 ALA HB . 53245 1
157 . 1 . 1 22 22 ALA N N 15 122.51578510393 0.00176385409995578 . 1 . . . . . 967 ALA N . 53245 1
158 . 1 . 1 23 23 SER C C 13 174.686027283113 0.00436732360055394 . 1 . . . . . 968 SER C . 53245 1
159 . 1 . 1 23 23 SER CA C 13 58.5949988576885 0.052783475337222 . 1 . . . . . 968 SER CA . 53245 1
160 . 1 . 1 23 23 SER CB C 13 63.8577333235136 0.0292674238532246 . 1 . . . . . 968 SER CB . 53245 1
161 . 1 . 1 23 23 SER H H 1 8.14073447186174 0.002005133652664 . 1 . . . . . 968 SER H . 53245 1
162 . 1 . 1 23 23 SER HA H 1 4.44880109437194 0.00100324843985248 . 1 . . . . . 968 SER HA . 53245 1
163 . 1 . 1 23 23 SER HB2 H 1 3.90047075322569 0.00797856868777274 . . . . . . . 968 SER HB2 . 53245 1
164 . 1 . 1 23 23 SER HB3 H 1 3.90047075322569 0.00797856868766142 . . . . . . . 968 SER HB3 . 53245 1
165 . 1 . 1 23 23 SER N N 15 114.575088712559 0.00191502694527203 . 1 . . . . . 968 SER N . 53245 1
166 . 1 . 1 24 24 VAL C C 13 176.213020095094 0.00768920036170998 . 1 . . . . . 969 VAL C . 53245 1
167 . 1 . 1 24 24 VAL CA C 13 62.5869261775181 0.0484154156575207 . 1 . . . . . 969 VAL CA . 53245 1
168 . 1 . 1 24 24 VAL CB C 13 32.6607087313348 0.0261031627381082 . 1 . . . . . 969 VAL CB . 53245 1
169 . 1 . 1 24 24 VAL H H 1 8.02521597791696 0.0019457691321158 . 1 . . . . . 969 VAL H . 53245 1
170 . 1 . 1 24 24 VAL HA H 1 4.1468286478448 0.00355766699385952 . 1 . . . . . 969 VAL HA . 53245 1
171 . 1 . 1 24 24 VAL HB H 1 2.11284632001558 0.00371607433352546 . . . . . . . 969 VAL HB . 53245 1
172 . 1 . 1 24 24 VAL N N 15 121.257304705343 0.00190852224482798 . 1 . . . . . 969 VAL N . 53245 1
173 . 1 . 1 25 25 ARG C C 13 176.275059204067 0.00105738013544131 . 1 . . . . . 970 ARG C . 53245 1
174 . 1 . 1 25 25 ARG CA C 13 56.2517553361454 0.0472570713023861 . 1 . . . . . 970 ARG CA . 53245 1
175 . 1 . 1 25 25 ARG CB C 13 30.8080667568404 0.0109718057529288 . 1 . . . . . 970 ARG CB . 53245 1
176 . 1 . 1 25 25 ARG H H 1 8.31546842186001 0.00128972284100995 . 1 . . . . . 970 ARG H . 53245 1
177 . 1 . 1 25 25 ARG HA H 1 4.32261914725716 0.0039951686124231 . 1 . . . . . 970 ARG HA . 53245 1
178 . 1 . 1 25 25 ARG HB2 H 1 1.79500121593162 0.00329173314539006 . . . . . . . 970 ARG HB2 . 53245 1
179 . 1 . 1 25 25 ARG HB3 H 1 1.79500121593162 0.00329173314539006 . . . . . . . 970 ARG HB3 . 53245 1
180 . 1 . 1 25 25 ARG N N 15 124.137008257634 0.0000019073486328125 . 1 . . . . . 970 ARG N . 53245 1
181 . 1 . 1 26 26 GLN C C 13 175.781066681922 0.00379519388265921 . 1 . . . . . 971 GLN C . 53245 1
182 . 1 . 1 26 26 GLN CA C 13 56.0572669456893 0.0103687109736012 . 1 . . . . . 971 GLN CA . 53245 1
183 . 1 . 1 26 26 GLN CB C 13 29.5284025553701 0.010914249956134 . 1 . . . . . 971 GLN CB . 53245 1
184 . 1 . 1 26 26 GLN H H 1 8.44388179503996 0.00261229982155261 . 1 . . . . . 971 GLN H . 53245 1
185 . 1 . 1 26 26 GLN HA H 1 4.31579096444162 0.000613403770799087 . 1 . . . . . 971 GLN HA . 53245 1
186 . 1 . 1 26 26 GLN HB2 H 1 2.1123206182383 0.00597985321656636 . . . . . . . 971 GLN HB2 . 53245 1
187 . 1 . 1 26 26 GLN HB3 H 1 1.99251761625055 0.000382758328283108 . . . . . . . 971 GLN HB3 . 53245 1
188 . 1 . 1 26 26 GLN N N 15 121.750370632004 0.0068776036197425 . 1 . . . . . 971 GLN N . 53245 1
189 . 1 . 1 27 27 ASN C C 13 175.238561331317 0.00415190807469251 . 1 . . . . . 972 ASN C . 53245 1
190 . 1 . 1 27 27 ASN CA C 13 53.4952287320986 0.0135107242018349 . 1 . . . . . 972 ASN CA . 53245 1
191 . 1 . 1 27 27 ASN CB C 13 38.9309327622589 0.00778174407269069 . 1 . . . . . 972 ASN CB . 53245 1
192 . 1 . 1 27 27 ASN H H 1 8.52748264510624 0.00188879927476913 . 1 . . . . . 972 ASN H . 53245 1
193 . 1 . 1 27 27 ASN HA H 1 4.71122367477994 0.00101395809856579 . 1 . . . . . 972 ASN HA . 53245 1
194 . 1 . 1 27 27 ASN HB2 H 1 2.87295362931374 0.00751547464786173 . . . . . . . 972 ASN HB2 . 53245 1
195 . 1 . 1 27 27 ASN HB3 H 1 2.79777805577175 0.00547823076927594 . . . . . . . 972 ASN HB3 . 53245 1
196 . 1 . 1 27 27 ASN N N 15 119.924029468022 0.00341328284800029 . 1 . . . . . 972 ASN N . 53245 1
197 . 1 . 1 28 28 SER C C 13 174.446169656852 0.00292069263775079 . 1 . . . . . 973 SER C . 53245 1
198 . 1 . 1 28 28 SER CA C 13 58.5964059547877 0.0229513600282105 . 1 . . . . . 973 SER CA . 53245 1
199 . 1 . 1 28 28 SER CB C 13 63.9228155662093 0.0165906593913678 . 1 . . . . . 973 SER CB . 53245 1
200 . 1 . 1 28 28 SER H H 1 8.30499494285981 0.00201587573318381 . 1 . . . . . 973 SER H . 53245 1
201 . 1 . 1 28 28 SER HA H 1 4.44464274534794 0.00217868372039602 . 1 . . . . . 973 SER HA . 53245 1
202 . 1 . 1 28 28 SER HB2 H 1 3.89369137140596 0.00346463868491553 . . . . . . . 973 SER HB2 . 53245 1
203 . 1 . 1 28 28 SER HB3 H 1 3.89369137140596 0.00346463868491553 . . . . . . . 973 SER HB3 . 53245 1
204 . 1 . 1 28 28 SER N N 15 116.063468258611 0.00117274645599218 . 1 . . . . . 973 SER N . 53245 1
205 . 1 . 1 29 29 ALA C C 13 178.136432142075 0.00576210621767512 . 1 . . . . . 974 ALA C . 53245 1
206 . 1 . 1 29 29 ALA CA C 13 53.0198401422036 0.0225794402128472 . 1 . . . . . 974 ALA CA . 53245 1
207 . 1 . 1 29 29 ALA CB C 13 19.2469964207329 0.0149811479497624 . 1 . . . . . 974 ALA CB . 53245 1
208 . 1 . 1 29 29 ALA H H 1 8.41525273189985 0.00183877896628218 . 1 . . . . . 974 ALA H . 53245 1
209 . 1 . 1 29 29 ALA HA H 1 4.39500117618581 0.000357407989062467 . 1 . . . . . 974 ALA HA . 53245 1
210 . 1 . 1 29 29 ALA HB1 H 1 1.43160501830978 0.000755542148913785 . . . . . . . 974 ALA HB . 53245 1
211 . 1 . 1 29 29 ALA HB2 H 1 1.43160501830978 0.000755542148913785 . . . . . . . 974 ALA HB . 53245 1
212 . 1 . 1 29 29 ALA HB3 H 1 1.43160501830978 0.000755542148913785 . . . . . . . 974 ALA HB . 53245 1
213 . 1 . 1 29 29 ALA N N 15 125.725663100057 0.00592024286146841 . 1 . . . . . 974 ALA N . 53245 1
214 . 1 . 1 30 30 THR C C 13 174.775891413956 0.00596518398359426 . 1 . . . . . 975 THR C . 53245 1
215 . 1 . 1 30 30 THR CA C 13 62.1055331253112 0.0442709989480854 . 1 . . . . . 975 THR CA . 53245 1
216 . 1 . 1 30 30 THR CB C 13 69.6950377399827 0.0196827037294168 . 1 . . . . . 975 THR CB . 53245 1
217 . 1 . 1 30 30 THR H H 1 8.03722042754836 0.00190207135772835 . 1 . . . . . 975 THR H . 53245 1
218 . 1 . 1 30 30 THR HA H 1 4.32000103839059 0.000286195529955144 . 1 . . . . . 975 THR HA . 53245 1
219 . 1 . 1 30 30 THR HB H 1 4.23939977496435 0.00824029188179604 . . . . . . . 975 THR HB2 . 53245 1
220 . 1 . 1 30 30 THR N N 15 112.197775088575 0.00239797495606984 . 1 . . . . . 975 THR N . 53245 1
221 . 1 . 1 31 31 GLU C C 13 176.45793764729 0.0066053468683744 . 1 . . . . . 976 GLU C . 53245 1
222 . 1 . 1 31 31 GLU CA C 13 56.8596657053806 0.0530572550186444 . 1 . . . . . 976 GLU CA . 53245 1
223 . 1 . 1 31 31 GLU CB C 13 30.3437276362798 0.0200691195897016 . 1 . . . . . 976 GLU CB . 53245 1
224 . 1 . 1 31 31 GLU H H 1 8.30613901111875 0.00179016411506811 . 1 . . . . . 976 GLU H . 53245 1
225 . 1 . 1 31 31 GLU HA H 1 4.33398435658737 0.000119800265048303 . 1 . . . . . 976 GLU HA . 53245 1
226 . 1 . 1 31 31 GLU HB2 H 1 2.07639240989572 0.00720139728753613 . . . . . . . 976 GLU HB2 . 53245 1
227 . 1 . 1 31 31 GLU HB3 H 1 1.96148009033641 0.00588646164398166 . . . . . . . 976 GLU HB3 . 53245 1
228 . 1 . 1 31 31 GLU N N 15 123.000109575476 0.00434476309491608 . 1 . . . . . 976 GLU N . 53245 1
229 . 1 . 1 32 32 SER C C 13 174.430877093679 0.00238911690985659 . 1 . . . . . 977 SER C . 53245 1
230 . 1 . 1 32 32 SER CA C 13 58.4209960174092 0.0431233021152699 . 1 . . . . . 977 SER CA . 53245 1
231 . 1 . 1 32 32 SER CB C 13 63.9677752066242 0.0130523484110376 . 1 . . . . . 977 SER CB . 53245 1
232 . 1 . 1 32 32 SER H H 1 8.32216510086172 0.0016241575103917 . 1 . . . . . 977 SER H . 53245 1
233 . 1 . 1 32 32 SER HA H 1 4.4438161813234 0.00241217097866361 . 1 . . . . . 977 SER HA . 53245 1
234 . 1 . 1 32 32 SER HB2 H 1 3.88822335197007 0.0101402394345015 . . . . . . . 977 SER HB2 . 53245 1
235 . 1 . 1 32 32 SER HB3 H 1 3.88822335197007 0.0101402394345015 . . . . . . . 977 SER HB3 . 53245 1
236 . 1 . 1 32 32 SER N N 15 116.717911172156 0.00237257035363508 . 1 . . . . . 977 SER N . 53245 1
237 . 1 . 1 33 33 ALA C C 13 177.812146241573 0.00369083295938852 . 1 . . . . . 978 ALA C . 53245 1
238 . 1 . 1 33 33 ALA CA C 13 52.9122971477888 0.0696453688595239 . 1 . . . . . 978 ALA CA . 53245 1
239 . 1 . 1 33 33 ALA CB C 13 19.3437757589788 0.0143694263300762 . 1 . . . . . 978 ALA CB . 53245 1
240 . 1 . 1 33 33 ALA H H 1 8.38923122374854 0.00176183519074124 . 1 . . . . . 978 ALA H . 53245 1
241 . 1 . 1 33 33 ALA HA H 1 4.33326198456038 0.000246375811796487 . 1 . . . . . 978 ALA HA . 53245 1
242 . 1 . 1 33 33 ALA HB1 H 1 1.40575981577568 0.00343084325719446 . . . . . . . 978 ALA HB . 53245 1
243 . 1 . 1 33 33 ALA HB2 H 1 1.40575981577568 0.00343084325719446 . . . . . . . 978 ALA HB . 53245 1
244 . 1 . 1 33 33 ALA HB3 H 1 1.40575981577568 0.00343084325719446 . . . . . . . 978 ALA HB . 53245 1
245 . 1 . 1 33 33 ALA N N 15 126.228220776736 0.00310189018358441 . 1 . . . . . 978 ALA N . 53245 1
246 . 1 . 1 34 34 GLU C C 13 176.562523548382 0.00618667838928877 . 1 . . . . . 979 GLU C . 53245 1
247 . 1 . 1 34 34 GLU CA C 13 56.8952200733834 0.0181264945682624 . 1 . . . . . 979 GLU CA . 53245 1
248 . 1 . 1 34 34 GLU CB C 13 30.3383661864242 0.013117516445276 . 1 . . . . . 979 GLU CB . 53245 1
249 . 1 . 1 34 34 GLU H H 1 8.34329839695903 0.0016759493813531 . 1 . . . . . 979 GLU H . 53245 1
250 . 1 . 1 34 34 GLU HA H 1 4.27552967745681 0.00443725986503706 . 1 . . . . . 979 GLU HA . 53245 1
251 . 1 . 1 34 34 GLU HB2 H 1 2.06042401335435 0.00656603806419441 . . . . . . . 979 GLU HB2 . 53245 1
252 . 1 . 1 34 34 GLU HB3 H 1 1.93817387858871 0.000694197253459412 . . . . . . . 979 GLU HB3 . 53245 1
253 . 1 . 1 34 34 GLU N N 15 119.390478575533 0.00177787760872188 . 1 . . . . . 979 GLU N . 53245 1
254 . 1 . 1 35 35 SER C C 13 174.410738879802 0.00128118043067732 . 1 . . . . . 980 SER C . 53245 1
255 . 1 . 1 35 35 SER CA C 13 58.3832181576297 0.0391557630959699 . 1 . . . . . 980 SER CA . 53245 1
256 . 1 . 1 35 35 SER CB C 13 63.8653521950251 0.0204828282567894 . 1 . . . . . 980 SER CB . 53245 1
257 . 1 . 1 35 35 SER H H 1 8.25705337230352 0.00180268841844657 . 1 . . . . . 980 SER H . 53245 1
258 . 1 . 1 35 35 SER HA H 1 4.48000392419582 0.00669599734889054 . 1 . . . . . 980 SER HA . 53245 1
259 . 1 . 1 35 35 SER HB2 H 1 3.8627087093449 0.00049811290134546 . . . . . . . 980 SER HB2 . 53245 1
260 . 1 . 1 35 35 SER HB3 H 1 3.8627087093449 0.00049811290134546 . . . . . . . 980 SER HB3 . 53245 1
261 . 1 . 1 35 35 SER N N 15 116.705792924844 0.00462016831370277 . 1 . . . . . 980 SER N . 53245 1
262 . 1 . 1 36 36 ILE C C 13 175.99991003311 0.00281378790946849 . 1 . . . . . 981 ILE C . 53245 1
263 . 1 . 1 36 36 ILE CA C 13 61.2313141921453 0.0646589478522833 . 1 . . . . . 981 ILE CA . 53245 1
264 . 1 . 1 36 36 ILE CB C 13 39.0302381234893 0.0194413621008422 . 1 . . . . . 981 ILE CB . 53245 1
265 . 1 . 1 36 36 ILE H H 1 8.08253032458363 0.00302968757156964 . 1 . . . . . 981 ILE H . 53245 1
266 . 1 . 1 36 36 ILE HA H 1 4.22267324456872 0.000757303386643284 . 1 . . . . . 981 ILE HA . 53245 1
267 . 1 . 1 36 36 ILE HB H 1 1.87664967418766 0.00381951413700462 . . . . . . . 981 ILE HB . 53245 1
268 . 1 . 1 36 36 ILE N N 15 122.119517609417 0.0238983518759477 . 1 . . . . . 981 ILE N . 53245 1
269 . 1 . 1 37 37 GLU C C 13 175.944216300036 0.00745939250934701 . 1 . . . . . 982 GLU C . 53245 1
270 . 1 . 1 37 37 GLU CA C 13 56.4954557636444 0.0457396275388921 . 1 . . . . . 982 GLU CA . 53245 1
271 . 1 . 1 37 37 GLU CB C 13 30.4255378997921 0.0101766108951552 . 1 . . . . . 982 GLU CB . 53245 1
272 . 1 . 1 37 37 GLU H H 1 8.37579761758803 0.0018383466765727 . 1 . . . . . 982 GLU H . 53245 1
273 . 1 . 1 37 37 GLU HA H 1 4.29937753697802 0.00141094666282941 . 1 . . . . . 982 GLU HA . 53245 1
274 . 1 . 1 37 37 GLU HB2 H 1 1.91155339826751 0.00929723234535867 . . . . . . . 982 GLU HB2 . 53245 1
275 . 1 . 1 37 37 GLU HB3 H 1 1.91155339826751 0.00929723234535867 . . . . . . . 982 GLU HB3 . 53245 1
276 . 1 . 1 37 37 GLU N N 15 124.732034674367 0.00808947143220011 . 1 . . . . . 982 GLU N . 53245 1
277 . 1 . 1 38 38 ILE C C 13 175.422524269272 0.00471053717933343 . 1 . . . . . 983 ILE C . 53245 1
278 . 1 . 1 38 38 ILE CA C 13 60.9206043065452 0.0583573754844568 . 1 . . . . . 983 ILE CA . 53245 1
279 . 1 . 1 38 38 ILE CB C 13 39.0231581555843 0.0186434985057053 . 1 . . . . . 983 ILE CB . 53245 1
280 . 1 . 1 38 38 ILE H H 1 8.08065190647281 0.000436930343263212 . 1 . . . . . 983 ILE H . 53245 1
281 . 1 . 1 38 38 ILE HA H 1 4.14378642233311 0.00183652649134921 . 1 . . . . . 983 ILE HA . 53245 1
282 . 1 . 1 38 38 ILE HB H 1 1.7833658602188 0.00222557639418915 . . . . . . . 983 ILE HB . 53245 1
283 . 1 . 1 38 38 ILE N N 15 122.068807429264 0.0233353448927706 . 1 . . . . . 983 ILE N . 53245 1
284 . 1 . 1 39 39 TYR C C 13 174.69236288022 0.00578342766339572 . 1 . . . . . 984 TYR C . 53245 1
285 . 1 . 1 39 39 TYR CA C 13 57.6091727581341 0.0276910115622322 . 1 . . . . . 984 TYR CA . 53245 1
286 . 1 . 1 39 39 TYR CB C 13 39.0245961010416 0.020903584714451 . 1 . . . . . 984 TYR CB . 53245 1
287 . 1 . 1 39 39 TYR H H 1 8.31977353446362 0.00203868373111751 . 1 . . . . . 984 TYR H . 53245 1
288 . 1 . 1 39 39 TYR HA H 1 4.6168314071834 0.00149559875970673 . 1 . . . . . 984 TYR HA . 53245 1
289 . 1 . 1 39 39 TYR HB2 H 1 2.93986605456673 0.0137806320409036 . . . . . . . 984 TYR HB2 . 53245 1
290 . 1 . 1 39 39 TYR HB3 H 1 2.91416109720601 0.011924325319842 . . . . . . . 984 TYR HB3 . 53245 1
291 . 1 . 1 39 39 TYR N N 15 125.574671612804 0.00379239309061868 . 1 . . . . . 984 TYR N . 53245 1
292 . 1 . 1 40 40 ILE C C 13 173.839989134113 0.0 . 1 . . . . . 985 ILE C . 53245 1
293 . 1 . 1 40 40 ILE CA C 13 57.9240809661055 0.00406754818859323 . 1 . . . . . 985 ILE CA . 53245 1
294 . 1 . 1 40 40 ILE CB C 13 38.9425247734039 0.042051725982074 . 1 . . . . . 985 ILE CB . 53245 1
295 . 1 . 1 40 40 ILE H H 1 8.03618854027135 0.00206939185796534 . 1 . . . . . 985 ILE H . 53245 1
296 . 1 . 1 40 40 ILE HA H 1 4.35264425630183 0.00059897533180065 . 1 . . . . . 985 ILE HA . 53245 1
297 . 1 . 1 40 40 ILE HB H 1 1.75131425999454 0.0 . . . . . . . 985 ILE HB . 53245 1
298 . 1 . 1 40 40 ILE N N 15 127.194721163081 0.00389669971958522 . 1 . . . . . 985 ILE N . 53245 1
299 . 1 . 1 41 41 PRO C C 13 177.012994507816 0.0 . 1 . . . . . 986 PRO C . 53245 1
300 . 1 . 1 41 41 PRO CA C 13 63.1349746680401 0.0430751463053039 . 1 . . . . . 986 PRO CA . 53245 1
301 . 1 . 1 41 41 PRO CB C 13 32.1294173437351 0.00103264511576278 . 1 . . . . . 986 PRO CB . 53245 1
302 . 1 . 1 41 41 PRO HA H 1 4.23301171306554 0.00137352616479078 . 1 . . . . . 986 PRO HA . 53245 1
303 . 1 . 1 41 41 PRO HB2 H 1 2.31164444799969 0.000987488990559228 . . . . . . . 986 PRO HB2 . 53245 1
304 . 1 . 1 41 41 PRO HB3 H 1 1.89824785913219 0.00267319834908248 . . . . . . . 986 PRO HB3 . 53245 1
305 . 1 . 1 42 42 GLU C C 13 176.590096959582 0.00490835149347128 . 1 . . . . . 987 GLU C . 53245 1
306 . 1 . 1 42 42 GLU CA C 13 57.0550688847159 0.0399983449361773 . 1 . . . . . 987 GLU CA . 53245 1
307 . 1 . 1 42 42 GLU CB C 13 30.0907574947224 0.0219340056563694 . 1 . . . . . 987 GLU CB . 53245 1
308 . 1 . 1 42 42 GLU H H 1 8.47566055372257 0.00176099858249297 . 1 . . . . . 987 GLU H . 53245 1
309 . 1 . 1 42 42 GLU HA H 1 4.17453081511487 0.00163273036183055 . 1 . . . . . 987 GLU HA . 53245 1
310 . 1 . 1 42 42 GLU HB2 H 1 2.02136696645617 0.0202165254318051 . . . . . . . 987 GLU HB2 . 53245 1
311 . 1 . 1 42 42 GLU HB3 H 1 1.98259992647297 0.0185505145513985 . . . . . . . 987 GLU HB3 . 53245 1
312 . 1 . 1 42 42 GLU N N 15 120.932300283276 0.0156834211472114 . 1 . . . . . 987 GLU N . 53245 1
313 . 1 . 1 43 43 ALA C C 13 177.825327891482 0.00508862992686437 . 1 . . . . . 988 ALA C . 53245 1
314 . 1 . 1 43 43 ALA CA C 13 52.9076429186527 0.0371006260679837 . 1 . . . . . 988 ALA CA . 53245 1
315 . 1 . 1 43 43 ALA CB C 13 19.2635524250313 0.0313683779719585 . 1 . . . . . 988 ALA CB . 53245 1
316 . 1 . 1 43 43 ALA H H 1 8.31523001357583 0.00192454531469222 . 1 . . . . . 988 ALA H . 53245 1
317 . 1 . 1 43 43 ALA HA H 1 4.27634847509896 0.000945884350865112 . 1 . . . . . 988 ALA HA . 53245 1
318 . 1 . 1 43 43 ALA HB1 H 1 1.3925335812982 0.00289501616323044 . . . . . . . 988 ALA HB . 53245 1
319 . 1 . 1 43 43 ALA HB2 H 1 1.3925335812982 0.00289501616323044 . . . . . . . 988 ALA HB . 53245 1
320 . 1 . 1 43 43 ALA HB3 H 1 1.3925335812982 0.00289501616323044 . . . . . . . 988 ALA HB . 53245 1
321 . 1 . 1 43 43 ALA N N 15 124.595115156401 0.000114154457149086 . 1 . . . . . 988 ALA N . 53245 1
322 . 1 . 1 44 44 GLN C C 13 176.180713615425 0.00292821439821708 . 1 . . . . . 989 GLN C . 53245 1
323 . 1 . 1 44 44 GLN CA C 13 55.9055462754397 0.00700180146024286 . 1 . . . . . 989 GLN CA . 53245 1
324 . 1 . 1 44 44 GLN CB C 13 29.5356224127894 0.0163491624579431 . 1 . . . . . 989 GLN CB . 53245 1
325 . 1 . 1 44 44 GLN H H 1 8.31066441060673 0.00191816937414301 . 1 . . . . . 989 GLN H . 53245 1
326 . 1 . 1 44 44 GLN HA H 1 4.36947072634097 0.00188953634001854 . 1 . . . . . 989 GLN HA . 53245 1
327 . 1 . 1 44 44 GLN HB2 H 1 2.1337447008118 0.00212171208108996 . . . . . . . 989 GLN HB2 . 53245 1
328 . 1 . 1 44 44 GLN HB3 H 1 1.9901564961765 0.00197836174625616 . . . . . . . 989 GLN HB3 . 53245 1
329 . 1 . 1 44 44 GLN N N 15 119.092902716367 0.00358572361199533 . 1 . . . . . 989 GLN N . 53245 1
330 . 1 . 1 45 45 THR C C 13 174.168222774167 0.00703675972905734 . 1 . . . . . 990 THR C . 53245 1
331 . 1 . 1 45 45 THR CA C 13 62.331849776486 0.126020584819251 . 1 . . . . . 990 THR CA . 53245 1
332 . 1 . 1 45 45 THR CB C 13 69.7987262470233 0.0345840498413859 . 1 . . . . . 990 THR CB . 53245 1
333 . 1 . 1 45 45 THR H H 1 8.1449205727081 0.00196581728961012 . 1 . . . . . 990 THR H . 53245 1
334 . 1 . 1 45 45 THR HA H 1 4.2978381723971 0.0054177572145637 . 1 . . . . . 990 THR HA . 53245 1
335 . 1 . 1 45 45 THR HB H 1 4.1748381712341 0.0 . . . . . . . 990 THR HB2 . 53245 1
336 . 1 . 1 45 45 THR N N 15 115.748396007231 0.000758393572904196 . 1 . . . . . 990 THR N . 53245 1
337 . 1 . 1 46 46 ARG C C 13 175.034131926073 0.00514935208575319 . 1 . . . . . 991 ARG C . 53245 1
338 . 1 . 1 46 46 ARG CA C 13 55.9553336369662 0.0163938047021111 . 1 . . . . . 991 ARG CA . 53245 1
339 . 1 . 1 46 46 ARG CB C 13 30.8666310097531 0.00653039342686279 . 1 . . . . . 991 ARG CB . 53245 1
340 . 1 . 1 46 46 ARG H H 1 8.30677006313188 0.00142878606174768 . 1 . . . . . 991 ARG H . 53245 1
341 . 1 . 1 46 46 ARG HA H 1 4.39743617595261 0.000762193042743673 . 1 . . . . . 991 ARG HA . 53245 1
342 . 1 . 1 46 46 ARG HB2 H 1 1.8841222137562 0.00264020863685526 . . . . . . . 991 ARG HB2 . 53245 1
343 . 1 . 1 46 46 ARG HB3 H 1 1.75665122584905 0.00449424504770475 . . . . . . . 991 ARG HB3 . 53245 1
344 . 1 . 1 46 46 ARG N N 15 124.354152228261 0.0397085641175235 . 1 . . . . . 991 ARG N . 53245 1
345 . 1 . 1 47 47 LEU CA C 13 56.9304054682856 0.0250963083736983 . 1 . . . . . 992 LEU CA . 53245 1
346 . 1 . 1 47 47 LEU CB C 13 43.3965316491228 0.0196920900814926 . 1 . . . . . 992 LEU CB . 53245 1
347 . 1 . 1 47 47 LEU H H 1 7.94592263469965 0.00159989941687267 . 1 . . . . . 992 LEU H . 53245 1
348 . 1 . 1 47 47 LEU HA H 1 4.24160905723693 0.0 . 1 . . . . . 992 LEU HA . 53245 1
349 . 1 . 1 47 47 LEU HB2 H 1 1.57532972267499 0.0 . . . . . . . 992 LEU HB2 . 53245 1
350 . 1 . 1 47 47 LEU HB3 H 1 1.57532972267499 0.0 . . . . . . . 992 LEU HB3 . 53245 1
351 . 1 . 1 47 47 LEU N N 15 129.859886380804 0.00562430444840195 . 1 . . . . . 992 LEU N . 53245 1
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