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 53285
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name SH3_water_assignFU
_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 'Backbone 1H, 13C, and 15N chemical shift assignments for the folded/unfolded drkN SH3 protein in water, pH 7.1, 600 MHz, 298 K'
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' . . . 53285 1
2 '3D HNCACB' . . . 53285 1
3 '3D HN(CO)CACB' . . . 53285 1
4 '3D HNCO' . . . 53285 1
5 '3D HN(CA)CO' . . . 53285 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 . . 53285 1
2 $software_2 . . 53285 1
3 $software_3 . . 53285 1
4 $software_4 . . 53285 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 1 1 MET C C 13 173.6531842 0.0177164135 . . . . . . . 1 MET C . 53285 1
2 . 1 . 1 1 1 MET CA C 13 55.65989325 0 . . . . . . . 1 MET CA . 53285 1
3 . 1 . 1 1 1 MET CB C 13 34.39864836 0 . . . . . . . 1 MET CB . 53285 1
4 . 1 . 1 2 2 GLU H H 1 8.78345545 0.008019813697 . . . . . . . 2 GLU H . 53285 1
5 . 1 . 1 2 2 GLU C C 13 174.1913939 0.00411722575 . . . . . . . 2 GLU C . 53285 1
6 . 1 . 1 2 2 GLU CA C 13 55.37567753 0.03492754158 . . . . . . . 2 GLU CA . 53285 1
7 . 1 . 1 2 2 GLU CB C 13 33.81252391 0.005343513447 . . . . . . . 2 GLU CB . 53285 1
8 . 1 . 1 2 2 GLU N N 15 124.368036 0.03393880369 . . . . . . . 2 GLU N . 53285 1
9 . 1 . 1 3 3 ALA H H 1 8.963487956 0.001562345315 . . . . . . . 3 ALA H . 53285 1
10 . 1 . 1 3 3 ALA C C 13 174.4261177 0.002514739174 . . . . . . . 3 ALA C . 53285 1
11 . 1 . 1 3 3 ALA CA C 13 50.40396434 0.01381340678 . . . . . . . 3 ALA CA . 53285 1
12 . 1 . 1 3 3 ALA CB C 13 24.99484764 0.007726189362 . . . . . . . 3 ALA CB . 53285 1
13 . 1 . 1 3 3 ALA N N 15 122.2701968 0.02060815134 . . . . . . . 3 ALA N . 53285 1
14 . 1 . 1 4 4 ILE H H 1 8.831656924 0.002274722186 . . . . . . . 4 ILE H . 53285 1
15 . 1 . 1 4 4 ILE C C 13 176.1613226 0.001294741352 . . . . . . . 4 ILE C . 53285 1
16 . 1 . 1 4 4 ILE CA C 13 59.28202663 0.01003201479 . . . . . . . 4 ILE CA . 53285 1
17 . 1 . 1 4 4 ILE CB C 13 40.93929041 0.005825840794 . . . . . . . 4 ILE CB . 53285 1
18 . 1 . 1 4 4 ILE N N 15 119.1131679 0.009645886626 . . . . . . . 4 ILE N . 53285 1
19 . 1 . 1 5 5 ALA H H 1 8.778360597 0.001890507086 . . . . . . . 5 ALA H . 53285 1
20 . 1 . 1 5 5 ALA C C 13 179.0149945 0.0003335406901 . . . . . . . 5 ALA C . 53285 1
21 . 1 . 1 5 5 ALA CA C 13 52.92593597 0.001422651473 . . . . . . . 5 ALA CA . 53285 1
22 . 1 . 1 5 5 ALA CB C 13 21.439302 0.006239835542 . . . . . . . 5 ALA CB . 53285 1
23 . 1 . 1 5 5 ALA N N 15 128.2123843 0.02409179125 . . . . . . . 5 ALA N . 53285 1
24 . 1 . 1 6 6 LYS H H 1 9.403853751 0.001671631181 . . . . . . . 6 LYS H . 53285 1
25 . 1 . 1 6 6 LYS C C 13 174.4334688 0.002244640611 . . . . . . . 6 LYS C . 53285 1
26 . 1 . 1 6 6 LYS CA C 13 56.61806539 0.003199767137 . . . . . . . 6 LYS CA . 53285 1
27 . 1 . 1 6 6 LYS CB C 13 33.3486224 0.02222918424 . . . . . . . 6 LYS CB . 53285 1
28 . 1 . 1 6 6 LYS N N 15 126.076957 0.01609978135 . . . . . . . 6 LYS N . 53285 1
29 . 1 . 1 7 7 HIS H H 1 7.448666556 0.003766274328 . . . . . . . 7 HIS H . 53285 1
30 . 1 . 1 7 7 HIS C C 13 173.0633656 0.003884427294 . . . . . . . 7 HIS C . 53285 1
31 . 1 . 1 7 7 HIS CA C 13 53.7374052 0.01144739012 . . . . . . . 7 HIS CA . 53285 1
32 . 1 . 1 7 7 HIS CB C 13 35.05204257 0.003414203834 . . . . . . . 7 HIS CB . 53285 1
33 . 1 . 1 7 7 HIS N N 15 114.1328448 0.01931130816 . . . . . . . 7 HIS N . 53285 1
34 . 1 . 1 8 8 ASP H H 1 8.501251558 0.002492474593 . . . . . . . 8 ASP H . 53285 1
35 . 1 . 1 8 8 ASP C C 13 175.7466363 0.005662014453 . . . . . . . 8 ASP C . 53285 1
36 . 1 . 1 8 8 ASP CA C 13 54.91882597 0.000037 . . . . . . . 8 ASP CA . 53285 1
37 . 1 . 1 8 8 ASP CB C 13 41.82505192 0.003448638172 . . . . . . . 8 ASP CB . 53285 1
38 . 1 . 1 8 8 ASP N N 15 119.0769122 0.03075780328 . . . . . . . 8 ASP N . 53285 1
39 . 1 . 1 9 9 PHE H H 1 8.55065132 0.003003856586 . . . . . . . 9 PHE H . 53285 1
40 . 1 . 1 9 9 PHE C C 13 173.6698185 0.001401636527 . . . . . . . 9 PHE C . 53285 1
41 . 1 . 1 9 9 PHE CA C 13 57.32808541 0.05073883973 . . . . . . . 9 PHE CA . 53285 1
42 . 1 . 1 9 9 PHE CB C 13 42.79499877 0.001013733481 . . . . . . . 9 PHE CB . 53285 1
43 . 1 . 1 9 9 PHE N N 15 121.3555325 0.002469250844 . . . . . . . 9 PHE N . 53285 1
44 . 1 . 1 10 10 SER H H 1 7.624580899 0.002033952053 . . . . . . . 10 SER H . 53285 1
45 . 1 . 1 10 10 SER C C 13 171.6117618 0.004274481483 . . . . . . . 10 SER C . 53285 1
46 . 1 . 1 10 10 SER CA C 13 55.68851099 0 . . . . . . . 10 SER CA . 53285 1
47 . 1 . 1 10 10 SER CB C 13 63.49109824 0 . . . . . . . 10 SER CB . 53285 1
48 . 1 . 1 10 10 SER N N 15 123.607542 0.01765545059 . . . . . . . 10 SER N . 53285 1
49 . 1 . 1 11 11 ALA H H 1 8.254335519 0.0001787700997 . . . . . . . 11 ALA H . 53285 1
50 . 1 . 1 11 11 ALA C C 13 178.5145964 0.0003418626467 . . . . . . . 11 ALA C . 53285 1
51 . 1 . 1 11 11 ALA CA C 13 52.89531243 0.002593784201 . . . . . . . 11 ALA CA . 53285 1
52 . 1 . 1 11 11 ALA CB C 13 20.92530845 0.004410077393 . . . . . . . 11 ALA CB . 53285 1
53 . 1 . 1 11 11 ALA N N 15 127.4951596 0.006907248385 . . . . . . . 11 ALA N . 53285 1
54 . 1 . 1 12 12 THR H H 1 9.106457434 0.003220309056 . . . . . . . 12 THR H . 53285 1
55 . 1 . 1 12 12 THR C C 13 173.4981522 0.003586571695 . . . . . . . 12 THR C . 53285 1
56 . 1 . 1 12 12 THR CA C 13 61.9148632 0.02071563307 . . . . . . . 12 THR CA . 53285 1
57 . 1 . 1 12 12 THR CB C 13 70.1257834 0.01955473922 . . . . . . . 12 THR CB . 53285 1
58 . 1 . 1 12 12 THR N N 15 113.8325368 0.01630085634 . . . . . . . 12 THR N . 53285 1
59 . 1 . 1 13 13 ALA H H 1 7.545043613 0.0018450597 . . . . . . . 13 ALA H . 53285 1
60 . 1 . 1 13 13 ALA C C 13 178.2716095 0.003069747117 . . . . . . . 13 ALA C . 53285 1
61 . 1 . 1 13 13 ALA CA C 13 50.76458069 0.02162674116 . . . . . . . 13 ALA CA . 53285 1
62 . 1 . 1 13 13 ALA CB C 13 22.26374836 0.01060067125 . . . . . . . 13 ALA CB . 53285 1
63 . 1 . 1 13 13 ALA N N 15 124.1565241 0.02699624126 . . . . . . . 13 ALA N . 53285 1
64 . 1 . 1 14 14 ASP H H 1 8.593858086 0.001952091934 . . . . . . . 14 ASP H . 53285 1
65 . 1 . 1 14 14 ASP C C 13 176.1605768 0.0009858188194 . . . . . . . 14 ASP C . 53285 1
66 . 1 . 1 14 14 ASP CA C 13 56.72614693 0.0118425575 . . . . . . . 14 ASP CA . 53285 1
67 . 1 . 1 14 14 ASP CB C 13 40.70142656 0.00234003418 . . . . . . . 14 ASP CB . 53285 1
68 . 1 . 1 14 14 ASP N N 15 119.1235914 0.0107007902 . . . . . . . 14 ASP N . 53285 1
69 . 1 . 1 15 15 ASP H H 1 8.246331778 0.001724915024 . . . . . . . 15 ASP H . 53285 1
70 . 1 . 1 15 15 ASP C C 13 176.1994316 0.006187345184 . . . . . . . 15 ASP C . 53285 1
71 . 1 . 1 15 15 ASP CA C 13 53.35109347 0.01195617951 . . . . . . . 15 ASP CA . 53285 1
72 . 1 . 1 15 15 ASP CB C 13 40.08727605 0.007391592877 . . . . . . . 15 ASP CB . 53285 1
73 . 1 . 1 15 15 ASP N N 15 114.7263248 0.01867537176 . . . . . . . 15 ASP N . 53285 1
74 . 1 . 1 16 16 GLU H H 1 7.406273286 0.002528358525 . . . . . . . 16 GLU H . 53285 1
75 . 1 . 1 16 16 GLU C C 13 175.2538006 0.002109772459 . . . . . . . 16 GLU C . 53285 1
76 . 1 . 1 16 16 GLU CA C 13 55.32049261 0.0414880255 . . . . . . . 16 GLU CA . 53285 1
77 . 1 . 1 16 16 GLU CB C 13 33.00493333 0.07288724589 . . . . . . . 16 GLU CB . 53285 1
78 . 1 . 1 16 16 GLU N N 15 119.3204594 0.01419062172 . . . . . . . 16 GLU N . 53285 1
79 . 1 . 1 17 17 LEU H H 1 8.554664862 0.001516876023 . . . . . . . 17 LEU H . 53285 1
80 . 1 . 1 17 17 LEU C C 13 174.4556311 0.006084974858 . . . . . . . 17 LEU C . 53285 1
81 . 1 . 1 17 17 LEU CA C 13 53.59699487 0.01117273864 . . . . . . . 17 LEU CA . 53285 1
82 . 1 . 1 17 17 LEU CB C 13 45.42281998 0.0002611065536 . . . . . . . 17 LEU CB . 53285 1
83 . 1 . 1 17 17 LEU N N 15 124.7285436 0.01228492287 . . . . . . . 17 LEU N . 53285 1
84 . 1 . 1 18 18 SER H H 1 7.852190273 0.001253024459 . . . . . . . 18 SER H . 53285 1
85 . 1 . 1 18 18 SER C C 13 173.8409866 0.005871250367 . . . . . . . 18 SER C . 53285 1
86 . 1 . 1 18 18 SER CA C 13 58.98244725 0.01860657095 . . . . . . . 18 SER CA . 53285 1
87 . 1 . 1 18 18 SER CB C 13 64.65338984 0.00349792672 . . . . . . . 18 SER CB . 53285 1
88 . 1 . 1 18 18 SER N N 15 117.5291301 0.01179690758 . . . . . . . 18 SER N . 53285 1
89 . 1 . 1 19 19 PHE H H 1 8.671570108 0.001358425481 . . . . . . . 19 PHE H . 53285 1
90 . 1 . 1 19 19 PHE C C 13 173.9269672 0.003587945346 . . . . . . . 19 PHE C . 53285 1
91 . 1 . 1 19 19 PHE CA C 13 56.85714706 0.01084006404 . . . . . . . 19 PHE CA . 53285 1
92 . 1 . 1 19 19 PHE CB C 13 40.7043394 0.00506970311 . . . . . . . 19 PHE CB . 53285 1
93 . 1 . 1 19 19 PHE N N 15 114.6878119 0.008298786117 . . . . . . . 19 PHE N . 53285 1
94 . 1 . 1 20 20 ARG H H 1 9.409799785 0.001814227625 . . . . . . . 20 ARG H . 53285 1
95 . 1 . 1 20 20 ARG C C 13 175.8685236 0.002238004406 . . . . . . . 20 ARG C . 53285 1
96 . 1 . 1 20 20 ARG CA C 13 53.2129813 0.01141695764 . . . . . . . 20 ARG CA . 53285 1
97 . 1 . 1 20 20 ARG CB C 13 33.09353271 0.01068900682 . . . . . . . 20 ARG CB . 53285 1
98 . 1 . 1 20 20 ARG N N 15 119.2881016 0.01101126548 . . . . . . . 20 ARG N . 53285 1
99 . 1 . 1 21 21 LYS H H 1 9.223711151 0.0007149821791 . . . . . . . 21 LYS H . 53285 1
100 . 1 . 1 21 21 LYS C C 13 177.3922927 0.001337704247 . . . . . . . 21 LYS C . 53285 1
101 . 1 . 1 21 21 LYS CA C 13 58.18044865 0.002090025513 . . . . . . . 21 LYS CA . 53285 1
102 . 1 . 1 21 21 LYS CB C 13 33.20847479 0.01844388396 . . . . . . . 21 LYS CB . 53285 1
103 . 1 . 1 21 21 LYS N N 15 120.446572 0.01341967876 . . . . . . . 21 LYS N . 53285 1
104 . 1 . 1 22 22 THR H H 1 8.808913153 0.001448086473 . . . . . . . 22 THR H . 53285 1
105 . 1 . 1 22 22 THR C C 13 173.4777099 0.002800522397 . . . . . . . 22 THR C . 53285 1
106 . 1 . 1 22 22 THR CA C 13 66.5684836 0.01511104568 . . . . . . . 22 THR CA . 53285 1
107 . 1 . 1 22 22 THR CB C 13 69.40177385 0.01630621849 . . . . . . . 22 THR CB . 53285 1
108 . 1 . 1 22 22 THR N N 15 117.1121305 0.005606403676 . . . . . . . 22 THR N . 53285 1
109 . 1 . 1 23 23 GLN H H 1 8.190521104 0.001789533096 . . . . . . . 23 GLN H . 53285 1
110 . 1 . 1 23 23 GLN C C 13 174.2236293 0.001871066234 . . . . . . . 23 GLN C . 53285 1
111 . 1 . 1 23 23 GLN CA C 13 58.98578612 0.009443099341 . . . . . . . 23 GLN CA . 53285 1
112 . 1 . 1 23 23 GLN CB C 13 30.25088289 0.09928018687 . . . . . . . 23 GLN CB . 53285 1
113 . 1 . 1 23 23 GLN N N 15 120.7213938 0.02946977989 . . . . . . . 23 GLN N . 53285 1
114 . 1 . 1 24 24 ILE H H 1 8.176267099 0.002203118336 . . . . . . . 24 ILE H . 53285 1
115 . 1 . 1 24 24 ILE C C 13 175.8026673 0.00347286601 . . . . . . . 24 ILE C . 53285 1
116 . 1 . 1 24 24 ILE CA C 13 59.80066661 0.004472407998 . . . . . . . 24 ILE CA . 53285 1
117 . 1 . 1 24 24 ILE CB C 13 37.85520977 0.02723687094 . . . . . . . 24 ILE CB . 53285 1
118 . 1 . 1 24 24 ILE N N 15 120.4651112 0.03948136631 . . . . . . . 24 ILE N . 53285 1
119 . 1 . 1 25 25 LEU H H 1 9.084282964 0.001297973934 . . . . . . . 25 LEU H . 53285 1
120 . 1 . 1 25 25 LEU C C 13 175.4652969 0.001829767768 . . . . . . . 25 LEU C . 53285 1
121 . 1 . 1 25 25 LEU CA C 13 53.94166263 0.003725910234 . . . . . . . 25 LEU CA . 53285 1
122 . 1 . 1 25 25 LEU CB C 13 44.74249357 0.01079019189 . . . . . . . 25 LEU CB . 53285 1
123 . 1 . 1 25 25 LEU N N 15 128.0470069 0.02385598306 . . . . . . . 25 LEU N . 53285 1
124 . 1 . 1 26 26 LYS H H 1 8.221968472 0.002903886511 . . . . . . . 26 LYS H . 53285 1
125 . 1 . 1 26 26 LYS C C 13 175.9494618 0.0009679545319 . . . . . . . 26 LYS C . 53285 1
126 . 1 . 1 26 26 LYS CA C 13 55.45973674 0.08827897976 . . . . . . . 26 LYS CA . 53285 1
127 . 1 . 1 26 26 LYS CB C 13 33.07394733 0.05600579243 . . . . . . . 26 LYS CB . 53285 1
128 . 1 . 1 26 26 LYS N N 15 121.9326584 0.02901792071 . . . . . . . 26 LYS N . 53285 1
129 . 1 . 1 27 27 ILE H H 1 8.559899575 0.00493062336 . . . . . . . 27 ILE H . 53285 1
130 . 1 . 1 27 27 ILE C C 13 175.6921836 0.003205399681 . . . . . . . 27 ILE C . 53285 1
131 . 1 . 1 27 27 ILE CA C 13 59.25019633 0.006284979256 . . . . . . . 27 ILE CA . 53285 1
132 . 1 . 1 27 27 ILE CB C 13 35.50109907 0.03426959745 . . . . . . . 27 ILE CB . 53285 1
133 . 1 . 1 27 27 ILE N N 15 124.7023801 0.01048384192 . . . . . . . 27 ILE N . 53285 1
134 . 1 . 1 28 28 LEU H H 1 9.221077866 0.002905290498 . . . . . . . 28 LEU H . 53285 1
135 . 1 . 1 28 28 LEU C C 13 177.3541677 0.00124105974 . . . . . . . 28 LEU C . 53285 1
136 . 1 . 1 28 28 LEU CA C 13 55.55586135 0.01682626091 . . . . . . . 28 LEU CA . 53285 1
137 . 1 . 1 28 28 LEU CB C 13 42.74337288 0.04296172759 . . . . . . . 28 LEU CB . 53285 1
138 . 1 . 1 28 28 LEU N N 15 128.5396235 0.03072231832 . . . . . . . 28 LEU N . 53285 1
139 . 1 . 1 29 29 ASN H H 1 7.637594401 0.002218089768 . . . . . . . 29 ASN H . 53285 1
140 . 1 . 1 29 29 ASN C C 13 173.5776115 0.001893949172 . . . . . . . 29 ASN C . 53285 1
141 . 1 . 1 29 29 ASN CA C 13 54.12027012 0.01660386056 . . . . . . . 29 ASN CA . 53285 1
142 . 1 . 1 29 29 ASN CB C 13 41.32363519 0.0041199595 . . . . . . . 29 ASN CB . 53285 1
143 . 1 . 1 29 29 ASN N N 15 114.1761683 0.04343220644 . . . . . . . 29 ASN N . 53285 1
144 . 1 . 1 30 30 MET H H 1 8.802578781 0.001386733085 . . . . . . . 30 MET H . 53285 1
145 . 1 . 1 30 30 MET C C 13 174.6402771 0.003884342066 . . . . . . . 30 MET C . 53285 1
146 . 1 . 1 30 30 MET CA C 13 55.11602965 0 . . . . . . . 30 MET CA . 53285 1
147 . 1 . 1 30 30 MET CB C 13 33.21597728 0.04188243088 . . . . . . . 30 MET CB . 53285 1
148 . 1 . 1 30 30 MET N N 15 123.4374901 0.02939676755 . . . . . . . 30 MET N . 53285 1
149 . 1 . 1 31 31 GLU H H 1 8.101914752 0.0004804368788 . . . . . . . 31 GLU H . 53285 1
150 . 1 . 1 31 31 GLU C C 13 176.7880326 0.0002607981054 . . . . . . . 31 GLU C . 53285 1
151 . 1 . 1 31 31 GLU CA C 13 56.54329099 0.002082458641 . . . . . . . 31 GLU CA . 53285 1
152 . 1 . 1 31 31 GLU CB C 13 31.27822457 0.01418374469 . . . . . . . 31 GLU CB . 53285 1
153 . 1 . 1 31 31 GLU N N 15 121.3301767 0.01407713273 . . . . . . . 31 GLU N . 53285 1
154 . 1 . 1 32 32 ASP H H 1 8.423332476 0.001004822222 . . . . . . . 32 ASP H . 53285 1
155 . 1 . 1 32 32 ASP C C 13 176.4470918 0.00786600173 . . . . . . . 32 ASP C . 53285 1
156 . 1 . 1 32 32 ASP CA C 13 56.52910526 0.008687150243 . . . . . . . 32 ASP CA . 53285 1
157 . 1 . 1 32 32 ASP CB C 13 40.87225861 0.009213975008 . . . . . . . 32 ASP CB . 53285 1
158 . 1 . 1 32 32 ASP N N 15 121.3197875 0.01652344988 . . . . . . . 32 ASP N . 53285 1
159 . 1 . 1 33 33 ASP H H 1 8.254260926 0.001486615379 . . . . . . . 33 ASP H . 53285 1
160 . 1 . 1 33 33 ASP C C 13 175.4874158 0.001149479443 . . . . . . . 33 ASP C . 53285 1
161 . 1 . 1 33 33 ASP CA C 13 54.173324 0.01999465604 . . . . . . . 33 ASP CA . 53285 1
162 . 1 . 1 33 33 ASP CB C 13 42.21202852 0.02036108712 . . . . . . . 33 ASP CB . 53285 1
163 . 1 . 1 33 33 ASP N N 15 118.9225757 0.02382132142 . . . . . . . 33 ASP N . 53285 1
164 . 1 . 1 34 34 SER H H 1 8.171928115 0.002200241901 . . . . . . . 34 SER H . 53285 1
165 . 1 . 1 34 34 SER C C 13 174.9963458 0.005118252334 . . . . . . . 34 SER C . 53285 1
166 . 1 . 1 34 34 SER CA C 13 59.26471157 0.00113650313 . . . . . . . 34 SER CA . 53285 1
167 . 1 . 1 34 34 SER CB C 13 64.09289762 0.02300096361 . . . . . . . 34 SER CB . 53285 1
168 . 1 . 1 34 34 SER N N 15 115.8956988 0.02508368654 . . . . . . . 34 SER N . 53285 1
169 . 1 . 1 35 35 ASN H H 1 8.916743056 0.002460435015 . . . . . . . 35 ASN H . 53285 1
170 . 1 . 1 35 35 ASN C C 13 174.6843808 0.001869147164 . . . . . . . 35 ASN C . 53285 1
171 . 1 . 1 35 35 ASN CA C 13 54.15508112 0.03366581146 . . . . . . . 35 ASN CA . 53285 1
172 . 1 . 1 35 35 ASN CB C 13 39.61994626 0.006466347474 . . . . . . . 35 ASN CB . 53285 1
173 . 1 . 1 35 35 ASN N N 15 119.5035185 0.01333317331 . . . . . . . 35 ASN N . 53285 1
174 . 1 . 1 36 36 TRP H H 1 7.99481728 0.001704847797 . . . . . . . 36 TRP H . 53285 1
175 . 1 . 1 36 36 TRP HE1 H 1 9.99979401 0 . . . . . . . 36 TRP HE1 . 53285 1
176 . 1 . 1 36 36 TRP C C 13 174.9982279 0.004798950565 . . . . . . . 36 TRP C . 53285 1
177 . 1 . 1 36 36 TRP CA C 13 56.03579794 0.0203372297 . . . . . . . 36 TRP CA . 53285 1
178 . 1 . 1 36 36 TRP CB C 13 31.96513318 0.00250032907 . . . . . . . 36 TRP CB . 53285 1
179 . 1 . 1 36 36 TRP N N 15 121.401219 0.01259399135 . . . . . . . 36 TRP N . 53285 1
180 . 1 . 1 36 36 TRP NE1 N 15 128.6708621 0 . . . . . . . 36 TRP NE1 . 53285 1
181 . 1 . 1 37 37 TYR H H 1 8.970092602 0.003076955248 . . . . . . . 37 TYR H . 53285 1
182 . 1 . 1 37 37 TYR C C 13 175.3717823 0.005043829019 . . . . . . . 37 TYR C . 53285 1
183 . 1 . 1 37 37 TYR CA C 13 52.943123 0.00924206614 . . . . . . . 37 TYR CA . 53285 1
184 . 1 . 1 37 37 TYR CB C 13 39.75891758 0.001712367448 . . . . . . . 37 TYR CB . 53285 1
185 . 1 . 1 37 37 TYR N N 15 120.6454622 0.01729740251 . . . . . . . 37 TYR N . 53285 1
186 . 1 . 1 38 38 ARG H H 1 8.720410045 0.0022863289 . . . . . . . 38 ARG H . 53285 1
187 . 1 . 1 38 38 ARG C C 13 175.2460605 0.001611418387 . . . . . . . 38 ARG C . 53285 1
188 . 1 . 1 38 38 ARG CA C 13 56.42129711 0.007111403518 . . . . . . . 38 ARG CA . 53285 1
189 . 1 . 1 38 38 ARG CB C 13 31.46999576 0.013092345 . . . . . . . 38 ARG CB . 53285 1
190 . 1 . 1 38 38 ARG N N 15 121.3019326 0.01100465435 . . . . . . . 38 ARG N . 53285 1
191 . 1 . 1 39 39 ALA H H 1 9.564185014 0.002123322024 . . . . . . . 39 ALA H . 53285 1
192 . 1 . 1 39 39 ALA C C 13 173.3394661 0.002847632544 . . . . . . . 39 ALA C . 53285 1
193 . 1 . 1 39 39 ALA CA C 13 50.83133254 0.01547719375 . . . . . . . 39 ALA CA . 53285 1
194 . 1 . 1 39 39 ALA CB C 13 26.09882734 0.00899101184 . . . . . . . 39 ALA CB . 53285 1
195 . 1 . 1 39 39 ALA N N 15 131.3549508 0.02014248396 . . . . . . . 39 ALA N . 53285 1
196 . 1 . 1 40 40 GLU H H 1 8.939193422 0.001231251461 . . . . . . . 40 GLU H . 53285 1
197 . 1 . 1 40 40 GLU C C 13 174.8253765 0.004217217702 . . . . . . . 40 GLU C . 53285 1
198 . 1 . 1 40 40 GLU CA C 13 54.65361103 0.1087113027 . . . . . . . 40 GLU CA . 53285 1
199 . 1 . 1 40 40 GLU CB C 13 34.1531727 0.001046863918 . . . . . . . 40 GLU CB . 53285 1
200 . 1 . 1 40 40 GLU N N 15 118.4371127 0.008569821201 . . . . . . . 40 GLU N . 53285 1
201 . 1 . 1 41 41 LEU H H 1 8.92518435 0.001770003807 . . . . . . . 41 LEU H . 53285 1
202 . 1 . 1 41 41 LEU C C 13 175.9478108 0.008641614244 . . . . . . . 41 LEU C . 53285 1
203 . 1 . 1 41 41 LEU CA C 13 54.93702872 0.00689534659 . . . . . . . 41 LEU CA . 53285 1
204 . 1 . 1 41 41 LEU CB C 13 45.94046216 0.002853485191 . . . . . . . 41 LEU CB . 53285 1
205 . 1 . 1 41 41 LEU N N 15 125.8672429 0.01283862484 . . . . . . . 41 LEU N . 53285 1
206 . 1 . 1 42 42 ASP H H 1 9.646839458 0.001257066175 . . . . . . . 42 ASP H . 53285 1
207 . 1 . 1 42 42 ASP C C 13 175.8036735 0.003393632065 . . . . . . . 42 ASP C . 53285 1
208 . 1 . 1 42 42 ASP CA C 13 55.60644208 0.01624334473 . . . . . . . 42 ASP CA . 53285 1
209 . 1 . 1 42 42 ASP CB C 13 39.88173276 0.006740765931 . . . . . . . 42 ASP CB . 53285 1
210 . 1 . 1 42 42 ASP N N 15 129.6278007 0.009623686062 . . . . . . . 42 ASP N . 53285 1
211 . 1 . 1 43 43 GLY H H 1 9.160915134 0.00101797503 . . . . . . . 43 GLY H . 53285 1
212 . 1 . 1 43 43 GLY C C 13 173.8379406 0.002173292994 . . . . . . . 43 GLY C . 53285 1
213 . 1 . 1 43 43 GLY CA C 13 45.50224092 0.006778155486 . . . . . . . 43 GLY CA . 53285 1
214 . 1 . 1 43 43 GLY N N 15 104.8092756 0.01862824456 . . . . . . . 43 GLY N . 53285 1
215 . 1 . 1 44 44 LYS H H 1 7.919591658 0.002186441467 . . . . . . . 44 LYS H . 53285 1
216 . 1 . 1 44 44 LYS C C 13 174.0328622 0.004476679299 . . . . . . . 44 LYS C . 53285 1
217 . 1 . 1 44 44 LYS CA C 13 54.90561074 0.005981099231 . . . . . . . 44 LYS CA . 53285 1
218 . 1 . 1 44 44 LYS CB C 13 34.68326434 0.006245256971 . . . . . . . 44 LYS CB . 53285 1
219 . 1 . 1 44 44 LYS N N 15 122.5603588 0.005226581269 . . . . . . . 44 LYS N . 53285 1
220 . 1 . 1 45 45 GLU H H 1 8.443959977 0.002516411457 . . . . . . . 45 GLU H . 53285 1
221 . 1 . 1 45 45 GLU C C 13 177.0561875 0.0009575498037 . . . . . . . 45 GLU C . 53285 1
222 . 1 . 1 45 45 GLU CA C 13 53.83569651 0.006172271387 . . . . . . . 45 GLU CA . 53285 1
223 . 1 . 1 45 45 GLU CB C 13 33.6694125 0.003755542516 . . . . . . . 45 GLU CB . 53285 1
224 . 1 . 1 45 45 GLU N N 15 120.6290716 0.01359397953 . . . . . . . 45 GLU N . 53285 1
225 . 1 . 1 46 46 GLY H H 1 8.854901415 0.0007340776122 . . . . . . . 46 GLY H . 53285 1
226 . 1 . 1 46 46 GLY C C 13 170.7459709 0.001524330784 . . . . . . . 46 GLY C . 53285 1
227 . 1 . 1 46 46 GLY CA C 13 45.58505852 0.008423294267 . . . . . . . 46 GLY CA . 53285 1
228 . 1 . 1 46 46 GLY N N 15 107.9819923 0.02137539186 . . . . . . . 46 GLY N . 53285 1
229 . 1 . 1 47 47 LEU H H 1 9.24962297 0.001284893721 . . . . . . . 47 LEU H . 53285 1
230 . 1 . 1 47 47 LEU C C 13 177.6677573 0.003688814228 . . . . . . . 47 LEU C . 53285 1
231 . 1 . 1 47 47 LEU CA C 13 54.73999745 0.01394342817 . . . . . . . 47 LEU CA . 53285 1
232 . 1 . 1 47 47 LEU CB C 13 44.54735095 0.006458154987 . . . . . . . 47 LEU CB . 53285 1
233 . 1 . 1 47 47 LEU N N 15 120.5315035 0.012241535 . . . . . . . 47 LEU N . 53285 1
234 . 1 . 1 48 48 ILE H H 1 9.389280519 0.001708708045 . . . . . . . 48 ILE H . 53285 1
235 . 1 . 1 48 48 ILE C C 13 172.4318896 0 . . . . . . . 48 ILE C . 53285 1
236 . 1 . 1 48 48 ILE CA C 13 56.7884532 0 . . . . . . . 48 ILE CA . 53285 1
237 . 1 . 1 48 48 ILE CB C 13 41.03636207 0 . . . . . . . 48 ILE CB . 53285 1
238 . 1 . 1 48 48 ILE N N 15 112.5781992 0.01940287083 . . . . . . . 48 ILE N . 53285 1
239 . 1 . 1 49 49 PRO C C 13 178.8982918 0.002859771455 . . . . . . . 49 PRO C . 53285 1
240 . 1 . 1 49 49 PRO CA C 13 60.87509189 0.02161224638 . . . . . . . 49 PRO CA . 53285 1
241 . 1 . 1 49 49 PRO CB C 13 30.1813634 0 . . . . . . . 49 PRO CB . 53285 1
242 . 1 . 1 50 50 SER H H 1 7.859139568 0.0007459544035 . . . . . . . 50 SER H . 53285 1
243 . 1 . 1 50 50 SER C C 13 175.2024215 0 . . . . . . . 50 SER C . 53285 1
244 . 1 . 1 50 50 SER CA C 13 60.403131 0.01878924062 . . . . . . . 50 SER CA . 53285 1
245 . 1 . 1 50 50 SER CB C 13 62.40143127 0.008832627248 . . . . . . . 50 SER CB . 53285 1
246 . 1 . 1 50 50 SER N N 15 119.8618569 0.01907867528 . . . . . . . 50 SER N . 53285 1
247 . 1 . 1 51 51 ASN H H 1 8.357514877 0.001670086052 . . . . . . . 51 ASN H . 53285 1
248 . 1 . 1 51 51 ASN C C 13 175.9011957 0.003309182268 . . . . . . . 51 ASN C . 53285 1
249 . 1 . 1 51 51 ASN CA C 13 53.70758768 0.01550400242 . . . . . . . 51 ASN CA . 53285 1
250 . 1 . 1 51 51 ASN CB C 13 36.55341204 0.005447442834 . . . . . . . 51 ASN CB . 53285 1
251 . 1 . 1 51 51 ASN N N 15 115.1948099 0.0253067215 . . . . . . . 51 ASN N . 53285 1
252 . 1 . 1 52 52 TYR H H 1 7.717339496 0.001397302536 . . . . . . . 52 TYR H . 53285 1
253 . 1 . 1 52 52 TYR C C 13 174.8584105 0.003698420807 . . . . . . . 52 TYR C . 53285 1
254 . 1 . 1 52 52 TYR CA C 13 58.19683441 0.004747357987 . . . . . . . 52 TYR CA . 53285 1
255 . 1 . 1 52 52 TYR CB C 13 38.93233401 0.003266767557 . . . . . . . 52 TYR CB . 53285 1
256 . 1 . 1 52 52 TYR N N 15 119.0931431 0.01269001668 . . . . . . . 52 TYR N . 53285 1
257 . 1 . 1 53 53 ILE H H 1 7.219846492 0.002534393334 . . . . . . . 53 ILE H . 53285 1
258 . 1 . 1 53 53 ILE C C 13 173.8466695 0.003304749983 . . . . . . . 53 ILE C . 53285 1
259 . 1 . 1 53 53 ILE CA C 13 58.57193307 0.007251480604 . . . . . . . 53 ILE CA . 53285 1
260 . 1 . 1 53 53 ILE CB C 13 42.0164883 0.00744974652 . . . . . . . 53 ILE CB . 53285 1
261 . 1 . 1 53 53 ILE N N 15 110.8040463 0.01142700843 . . . . . . . 53 ILE N . 53285 1
262 . 1 . 1 54 54 GLU H H 1 8.741956024 0.002233446643 . . . . . . . 54 GLU H . 53285 1
263 . 1 . 1 54 54 GLU C C 13 175.7026573 0.002004335748 . . . . . . . 54 GLU C . 53285 1
264 . 1 . 1 54 54 GLU CA C 13 54.47104404 0.02696668923 . . . . . . . 54 GLU CA . 53285 1
265 . 1 . 1 54 54 GLU CB C 13 32.92141653 0.001861910015 . . . . . . . 54 GLU CB . 53285 1
266 . 1 . 1 54 54 GLU N N 15 120.3594674 0.01104857424 . . . . . . . 54 GLU N . 53285 1
267 . 1 . 1 55 55 MET H H 1 8.983018263 0.002162153168 . . . . . . . 55 MET H . 53285 1
268 . 1 . 1 55 55 MET C C 13 176.5426063 0.003094044608 . . . . . . . 55 MET C . 53285 1
269 . 1 . 1 55 55 MET CA C 13 55.34324696 0.005858569855 . . . . . . . 55 MET CA . 53285 1
270 . 1 . 1 55 55 MET CB C 13 31.74571127 0.008808266869 . . . . . . . 55 MET CB . 53285 1
271 . 1 . 1 55 55 MET N N 15 125.126715 0.02470927895 . . . . . . . 55 MET N . 53285 1
272 . 1 . 1 56 56 LYS H H 1 8.657536525 0.002002832737 . . . . . . . 56 LYS H . 53285 1
273 . 1 . 1 56 56 LYS C C 13 175.8493349 0.0007599533773 . . . . . . . 56 LYS C . 53285 1
274 . 1 . 1 56 56 LYS CA C 13 56.18197201 0 . . . . . . . 56 LYS CA . 53285 1
275 . 1 . 1 56 56 LYS CB C 13 33.08373973 0.03328861103 . . . . . . . 56 LYS CB . 53285 1
276 . 1 . 1 56 56 LYS N N 15 123.9891945 0.01068121953 . . . . . . . 56 LYS N . 53285 1
277 . 1 . 1 57 57 ASN H H 1 8.510330173 0.004273095713 . . . . . . . 57 ASN H . 53285 1
278 . 1 . 1 57 57 ASN C C 13 174.5144992 0 . . . . . . . 57 ASN C . 53285 1
279 . 1 . 1 57 57 ASN CA C 13 53.14484972 0 . . . . . . . 57 ASN CA . 53285 1
280 . 1 . 1 57 57 ASN CB C 13 39.3255229 0 . . . . . . . 57 ASN CB . 53285 1
281 . 1 . 1 57 57 ASN N N 15 121.2408467 0.06409722042 . . . . . . . 57 ASN N . 53285 1
282 . 1 . 1 58 58 HIS C C 13 173.754494 0.005955601349 . . . . . . . 58 HIS C . 53285 1
283 . 1 . 1 58 58 HIS CA C 13 55.59575083 0.004472576222 . . . . . . . 58 HIS CA . 53285 1
284 . 1 . 1 58 58 HIS CB C 13 30.40555158 0.0161676233 . . . . . . . 58 HIS CB . 53285 1
285 . 1 . 1 59 59 ASP H H 1 8.185043594 0.004407760392 . . . . . . . 59 ASP H . 53285 1
286 . 1 . 1 59 59 ASP C C 13 181.1270009 0 . . . . . . . 59 ASP C . 53285 1
287 . 1 . 1 59 59 ASP CA C 13 56.05439064 0 . . . . . . . 59 ASP CA . 53285 1
288 . 1 . 1 59 59 ASP CB C 13 42.04948891 0 . . . . . . . 59 ASP CB . 53285 1
289 . 1 . 1 59 59 ASP N N 15 127.0383994 0.01480091036 . . . . . . . 59 ASP N . 53285 1
290 . 2 . 1 2 2 GLU C C 13 175.8341575 0.001459798469 . . . . . . . 2 GLU C . 53285 1
291 . 2 . 1 2 2 GLU CA C 13 56.35157504 0.01483614405 . . . . . . . 2 GLU CA . 53285 1
292 . 2 . 1 2 2 GLU CB C 13 30.50172975 0.01194098792 . . . . . . . 2 GLU CB . 53285 1
293 . 2 . 1 3 3 ALA H H 1 8.484138576 0.002350658772 . . . . . . . 3 ALA H . 53285 1
294 . 2 . 1 3 3 ALA C C 13 177.4632574 0.002431568052 . . . . . . . 3 ALA C . 53285 1
295 . 2 . 1 3 3 ALA CA C 13 52.42826005 0.02011799484 . . . . . . . 3 ALA CA . 53285 1
296 . 2 . 1 3 3 ALA CB C 13 19.17676371 0.0009550616187 . . . . . . . 3 ALA CB . 53285 1
297 . 2 . 1 3 3 ALA N N 15 125.8865449 0.02104730325 . . . . . . . 3 ALA N . 53285 1
298 . 2 . 1 4 4 ILE H H 1 8.087324486 0.002434017247 . . . . . . . 4 ILE H . 53285 1
299 . 2 . 1 4 4 ILE C C 13 175.9108348 0.002378647284 . . . . . . . 4 ILE C . 53285 1
300 . 2 . 1 4 4 ILE CA C 13 60.95985905 0.01294631849 . . . . . . . 4 ILE CA . 53285 1
301 . 2 . 1 4 4 ILE CB C 13 38.84456385 0.0132359144 . . . . . . . 4 ILE CB . 53285 1
302 . 2 . 1 4 4 ILE N N 15 120.4639544 0.01605702373 . . . . . . . 4 ILE N . 53285 1
303 . 2 . 1 5 5 ALA H H 1 8.347017804 0.001487523957 . . . . . . . 5 ALA H . 53285 1
304 . 2 . 1 5 5 ALA C C 13 177.2888594 0.004822181356 . . . . . . . 5 ALA C . 53285 1
305 . 2 . 1 5 5 ALA CA C 13 52.26210213 0.03572710068 . . . . . . . 5 ALA CA . 53285 1
306 . 2 . 1 5 5 ALA CB C 13 19.31506258 0.007632456981 . . . . . . . 5 ALA CB . 53285 1
307 . 2 . 1 5 5 ALA N N 15 128.5736819 0.0264177734 . . . . . . . 5 ALA N . 53285 1
308 . 2 . 1 6 6 LYS H H 1 8.222732482 0.00176929283 . . . . . . . 6 LYS H . 53285 1
309 . 2 . 1 6 6 LYS C C 13 176.1969356 0.0155797439 . . . . . . . 6 LYS C . 53285 1
310 . 2 . 1 6 6 LYS CA C 13 56.17442822 0 . . . . . . . 6 LYS CA . 53285 1
311 . 2 . 1 6 6 LYS CB C 13 33.19489564 0 . . . . . . . 6 LYS CB . 53285 1
312 . 2 . 1 6 6 LYS N N 15 121.08842 0.02240999376 . . . . . . . 6 LYS N . 53285 1
313 . 2 . 1 7 7 HIS H H 1 8.20642762 0.0008273573521 . . . . . . . 7 HIS H . 53285 1
314 . 2 . 1 7 7 HIS C C 13 174.6648104 0 . . . . . . . 7 HIS C . 53285 1
315 . 2 . 1 7 7 HIS CA C 13 55.92217651 0 . . . . . . . 7 HIS CA . 53285 1
316 . 2 . 1 7 7 HIS N N 15 120.4304309 0.1084684133 . . . . . . . 7 HIS N . 53285 1
317 . 2 . 1 8 8 ASP H H 1 8.210088674 0.007819766355 . . . . . . . 8 ASP H . 53285 1
318 . 2 . 1 8 8 ASP C C 13 175.9087129 0.0004966217225 . . . . . . . 8 ASP C . 53285 1
319 . 2 . 1 8 8 ASP CA C 13 53.96557541 0.01649427507 . . . . . . . 8 ASP CA . 53285 1
320 . 2 . 1 8 8 ASP CB C 13 41.15120025 0.01533196261 . . . . . . . 8 ASP CB . 53285 1
321 . 2 . 1 8 8 ASP N N 15 121.9245888 0.0001572839976 . . . . . . . 8 ASP N . 53285 1
322 . 2 . 1 9 9 PHE H H 1 8.260670001 0.002051473637 . . . . . . . 9 PHE H . 53285 1
323 . 2 . 1 9 9 PHE C C 13 175.8842001 0.008415433997 . . . . . . . 9 PHE C . 53285 1
324 . 2 . 1 9 9 PHE CA C 13 58.04123969 0.007176743749 . . . . . . . 9 PHE CA . 53285 1
325 . 2 . 1 9 9 PHE CB C 13 39.31288363 0.01306924227 . . . . . . . 9 PHE CB . 53285 1
326 . 2 . 1 9 9 PHE N N 15 121.2125126 0.01372165557 . . . . . . . 9 PHE N . 53285 1
327 . 2 . 1 10 10 SER H H 1 8.245639375 0.001887417205 . . . . . . . 10 SER H . 53285 1
328 . 2 . 1 10 10 SER C C 13 174.1528968 0.001906304073 . . . . . . . 10 SER C . 53285 1
329 . 2 . 1 10 10 SER CA C 13 58.56650282 0.008229829281 . . . . . . . 10 SER CA . 53285 1
330 . 2 . 1 10 10 SER CB C 13 63.85258709 0.01833426182 . . . . . . . 10 SER CB . 53285 1
331 . 2 . 1 10 10 SER N N 15 117.439866 0.04816854862 . . . . . . . 10 SER N . 53285 1
332 . 2 . 1 11 11 ALA H H 1 8.242415694 0.001655707886 . . . . . . . 11 ALA H . 53285 1
333 . 2 . 1 11 11 ALA C C 13 177.8762359 0.006463670201 . . . . . . . 11 ALA C . 53285 1
334 . 2 . 1 11 11 ALA CA C 13 52.68097434 0.02478331798 . . . . . . . 11 ALA CA . 53285 1
335 . 2 . 1 11 11 ALA CB C 13 19.37167244 0.00501979255 . . . . . . . 11 ALA CB . 53285 1
336 . 2 . 1 11 11 ALA N N 15 126.147217 0.0262594102 . . . . . . . 11 ALA N . 53285 1
337 . 2 . 1 12 12 THR H H 1 8.110601077 0.001341138076 . . . . . . . 12 THR H . 53285 1
338 . 2 . 1 12 12 THR C C 13 174.514443 0 . . . . . . . 12 THR C . 53285 1
339 . 2 . 1 12 12 THR CA C 13 61.70055842 0.004034695618 . . . . . . . 12 THR CA . 53285 1
340 . 2 . 1 12 12 THR CB C 13 70.03811036 0.0216057392 . . . . . . . 12 THR CB . 53285 1
341 . 2 . 1 12 12 THR N N 15 112.8886279 0.01675440444 . . . . . . . 12 THR N . 53285 1
342 . 2 . 1 13 13 ALA H H 1 8.30757215 0.0009263866028 . . . . . . . 13 ALA H . 53285 1
343 . 2 . 1 13 13 ALA C C 13 177.7774086 0 . . . . . . . 13 ALA C . 53285 1
344 . 2 . 1 13 13 ALA CA C 13 52.84000886 0.01940915944 . . . . . . . 13 ALA CA . 53285 1
345 . 2 . 1 13 13 ALA CB C 13 19.2815056 0.006080909669 . . . . . . . 13 ALA CB . 53285 1
346 . 2 . 1 13 13 ALA N N 15 126.1662998 0.01361164027 . . . . . . . 13 ALA N . 53285 1
347 . 2 . 1 14 14 ASP H H 1 8.264169629 0.001027003015 . . . . . . . 14 ASP H . 53285 1
348 . 2 . 1 14 14 ASP C C 13 176.5507993 0.001697131976 . . . . . . . 14 ASP C . 53285 1
349 . 2 . 1 14 14 ASP CA C 13 54.93167386 0.03817420846 . . . . . . . 14 ASP CA . 53285 1
350 . 2 . 1 14 14 ASP CB C 13 41.11701022 0.006244710818 . . . . . . . 14 ASP CB . 53285 1
351 . 2 . 1 14 14 ASP N N 15 119.5155905 0.05932200586 . . . . . . . 14 ASP N . 53285 1
352 . 2 . 1 15 15 ASP H H 1 8.218540388 0.001093076253 . . . . . . . 15 ASP H . 53285 1
353 . 2 . 1 15 15 ASP C C 13 176.9989399 0.005733750135 . . . . . . . 15 ASP C . 53285 1
354 . 2 . 1 15 15 ASP CA C 13 54.89044969 0.01121361228 . . . . . . . 15 ASP CA . 53285 1
355 . 2 . 1 15 15 ASP CB C 13 41.09581498 0.0202412951 . . . . . . . 15 ASP CB . 53285 1
356 . 2 . 1 15 15 ASP N N 15 120.5790124 0.01342902855 . . . . . . . 15 ASP N . 53285 1
357 . 2 . 1 16 16 GLU H H 1 8.34444195 0.0007106301625 . . . . . . . 16 GLU H . 53285 1
358 . 2 . 1 16 16 GLU C C 13 177.5516748 0.005195929956 . . . . . . . 16 GLU C . 53285 1
359 . 2 . 1 16 16 GLU CA C 13 57.96114375 0.0231437514 . . . . . . . 16 GLU CA . 53285 1
360 . 2 . 1 16 16 GLU CB C 13 29.82680592 0.002090750826 . . . . . . . 16 GLU CB . 53285 1
361 . 2 . 1 16 16 GLU N N 15 121.1224495 0.02109766101 . . . . . . . 16 GLU N . 53285 1
362 . 2 . 1 17 17 LEU H H 1 8.122657078 0.001376855084 . . . . . . . 17 LEU H . 53285 1
363 . 2 . 1 17 17 LEU C C 13 178.5021813 0.003634167407 . . . . . . . 17 LEU C . 53285 1
364 . 2 . 1 17 17 LEU CA C 13 56.4438057 0.008314826039 . . . . . . . 17 LEU CA . 53285 1
365 . 2 . 1 17 17 LEU CB C 13 41.74985892 0.02979516849 . . . . . . . 17 LEU CB . 53285 1
366 . 2 . 1 17 17 LEU N N 15 120.8146423 0.01028879818 . . . . . . . 17 LEU N . 53285 1
367 . 2 . 1 18 18 SER H H 1 8.091326938 0.001657934826 . . . . . . . 18 SER H . 53285 1
368 . 2 . 1 18 18 SER C C 13 175.445284 0 . . . . . . . 18 SER C . 53285 1
369 . 2 . 1 18 18 SER CA C 13 59.97232464 0.005925999486 . . . . . . . 18 SER CA . 53285 1
370 . 2 . 1 18 18 SER CB C 13 63.27427482 0.01207420918 . . . . . . . 18 SER CB . 53285 1
371 . 2 . 1 18 18 SER N N 15 115.143194 0.03094587566 . . . . . . . 18 SER N . 53285 1
372 . 2 . 1 19 19 PHE H H 1 8.048503208 0.001316105147 . . . . . . . 19 PHE H . 53285 1
373 . 2 . 1 19 19 PHE C C 13 176.5758208 0.004593165206 . . . . . . . 19 PHE C . 53285 1
374 . 2 . 1 19 19 PHE CA C 13 58.99519483 0.005140018632 . . . . . . . 19 PHE CA . 53285 1
375 . 2 . 1 19 19 PHE CB C 13 38.99590374 0.005276126512 . . . . . . . 19 PHE CB . 53285 1
376 . 2 . 1 19 19 PHE N N 15 121.5906301 0.01608361106 . . . . . . . 19 PHE N . 53285 1
377 . 2 . 1 20 20 ARG H H 1 8.086078078 0.001176153884 . . . . . . . 20 ARG H . 53285 1
378 . 2 . 1 20 20 ARG C C 13 177.0095189 0.0004178182033 . . . . . . . 20 ARG C . 53285 1
379 . 2 . 1 20 20 ARG CA C 13 57.2362333 0.0446686034 . . . . . . . 20 ARG CA . 53285 1
380 . 2 . 1 20 20 ARG CB C 13 30.40305471 0.01119183411 . . . . . . . 20 ARG CB . 53285 1
381 . 2 . 1 20 20 ARG N N 15 120.9272135 0.093339157 . . . . . . . 20 ARG N . 53285 1
382 . 2 . 1 21 21 LYS H H 1 8.117612831 0.0006483777916 . . . . . . . 21 LYS H . 53285 1
383 . 2 . 1 21 21 LYS C C 13 177.3400476 0.001518220757 . . . . . . . 21 LYS C . 53285 1
384 . 2 . 1 21 21 LYS CA C 13 57.57969299 0.02155462709 . . . . . . . 21 LYS CA . 53285 1
385 . 2 . 1 21 21 LYS CB C 13 32.79801939 0.02568483292 . . . . . . . 21 LYS CB . 53285 1
386 . 2 . 1 21 21 LYS N N 15 120.461494 0.0000019 . . . . . . . 21 LYS N . 53285 1
387 . 2 . 1 22 22 THR H H 1 7.983533186 0.001383254321 . . . . . . . 22 THR H . 53285 1
388 . 2 . 1 22 22 THR C C 13 174.9123897 0.01062877072 . . . . . . . 22 THR C . 53285 1
389 . 2 . 1 22 22 THR CA C 13 63.08186227 0.001843056486 . . . . . . . 22 THR CA . 53285 1
390 . 2 . 1 22 22 THR CB C 13 69.57528379 0.03220570205 . . . . . . . 22 THR CB . 53285 1
391 . 2 . 1 22 22 THR N N 15 113.8848107 0.02722332742 . . . . . . . 22 THR N . 53285 1
392 . 2 . 1 23 23 GLN H H 1 8.143299802 0.002675047126 . . . . . . . 23 GLN H . 53285 1
393 . 2 . 1 23 23 GLN C C 13 176.2181684 0.01236557273 . . . . . . . 23 GLN C . 53285 1
394 . 2 . 1 23 23 GLN CA C 13 56.45359797 0.03178808376 . . . . . . . 23 GLN CA . 53285 1
395 . 2 . 1 23 23 GLN CB C 13 29.27580522 0.02336587107 . . . . . . . 23 GLN CB . 53285 1
396 . 2 . 1 23 23 GLN N N 15 122.1357229 0.02692866091 . . . . . . . 23 GLN N . 53285 1
397 . 2 . 1 24 24 ILE H H 1 8.03294926 0.001985404041 . . . . . . . 24 ILE H . 53285 1
398 . 2 . 1 24 24 ILE C C 13 176.3424852 0.003043689194 . . . . . . . 24 ILE C . 53285 1
399 . 2 . 1 24 24 ILE CA C 13 61.86396994 0.004317131739 . . . . . . . 24 ILE CA . 53285 1
400 . 2 . 1 24 24 ILE CB C 13 38.40516851 0.004776424213 . . . . . . . 24 ILE CB . 53285 1
401 . 2 . 1 24 24 ILE N N 15 121.5480351 0.01160705567 . . . . . . . 24 ILE N . 53285 1
402 . 2 . 1 25 25 LEU H H 1 8.135156982 0.001438052616 . . . . . . . 25 LEU H . 53285 1
403 . 2 . 1 25 25 LEU C C 13 177.234144 0.006190402759 . . . . . . . 25 LEU C . 53285 1
404 . 2 . 1 25 25 LEU CA C 13 55.66199999 0.02272611658 . . . . . . . 25 LEU CA . 53285 1
405 . 2 . 1 25 25 LEU CB C 13 42.24490295 0.007855092849 . . . . . . . 25 LEU CB . 53285 1
406 . 2 . 1 25 25 LEU N N 15 124.8636809 0.03691956367 . . . . . . . 25 LEU N . 53285 1
407 . 2 . 1 26 26 LYS H H 1 8.090870093 0.0009909348111 . . . . . . . 26 LYS H . 53285 1
408 . 2 . 1 26 26 LYS C C 13 176.5537326 0.0009641435094 . . . . . . . 26 LYS C . 53285 1
409 . 2 . 1 26 26 LYS CA C 13 56.67615407 0.02882593311 . . . . . . . 26 LYS CA . 53285 1
410 . 2 . 1 26 26 LYS CB C 13 32.955865 0.006914489688 . . . . . . . 26 LYS CB . 53285 1
411 . 2 . 1 26 26 LYS N N 15 121.8619972 0.02514235475 . . . . . . . 26 LYS N . 53285 1
412 . 2 . 1 27 27 ILE H H 1 8.017082353 0.001233846715 . . . . . . . 27 ILE H . 53285 1
413 . 2 . 1 27 27 ILE C C 13 176.3760951 0.001902567593 . . . . . . . 27 ILE C . 53285 1
414 . 2 . 1 27 27 ILE CA C 13 61.52235878 0.01257590164 . . . . . . . 27 ILE CA . 53285 1
415 . 2 . 1 27 27 ILE CB C 13 38.49749822 0.01337216244 . . . . . . . 27 ILE CB . 53285 1
416 . 2 . 1 27 27 ILE N N 15 121.9923636 0.01253308235 . . . . . . . 27 ILE N . 53285 1
417 . 2 . 1 28 28 LEU H H 1 8.22996095 0.001753208006 . . . . . . . 28 LEU H . 53285 1
418 . 2 . 1 28 28 LEU C C 13 176.8408553 0.00191904582 . . . . . . . 28 LEU C . 53285 1
419 . 2 . 1 28 28 LEU CA C 13 55.37279521 0.02529544384 . . . . . . . 28 LEU CA . 53285 1
420 . 2 . 1 28 28 LEU CB C 13 42.45245425 0.0368075182 . . . . . . . 28 LEU CB . 53285 1
421 . 2 . 1 28 28 LEU N N 15 125.1767782 0.01874973747 . . . . . . . 28 LEU N . 53285 1
422 . 2 . 1 29 29 ASN H H 1 8.364296649 0.002762088024 . . . . . . . 29 ASN H . 53285 1
423 . 2 . 1 29 29 ASN C C 13 175.1706582 0.002066192135 . . . . . . . 29 ASN C . 53285 1
424 . 2 . 1 29 29 ASN CA C 13 53.30803707 0.04564106621 . . . . . . . 29 ASN CA . 53285 1
425 . 2 . 1 29 29 ASN CB C 13 38.74315376 0.005721689134 . . . . . . . 29 ASN CB . 53285 1
426 . 2 . 1 29 29 ASN N N 15 119.0256315 0.04470553081 . . . . . . . 29 ASN N . 53285 1
427 . 2 . 1 30 30 MET H H 1 8.33911049 0.001520661046 . . . . . . . 30 MET H . 53285 1
428 . 2 . 1 30 30 MET C C 13 176.3631806 0.005445038732 . . . . . . . 30 MET C . 53285 1
429 . 2 . 1 30 30 MET CA C 13 55.90300355 0.02597475574 . . . . . . . 30 MET CA . 53285 1
430 . 2 . 1 30 30 MET CB C 13 32.82449104 0.01982641572 . . . . . . . 30 MET CB . 53285 1
431 . 2 . 1 30 30 MET N N 15 120.6390781 0.03147183369 . . . . . . . 30 MET N . 53285 1
432 . 2 . 1 31 31 GLU H H 1 8.41620591 0.001757793108 . . . . . . . 31 GLU H . 53285 1
433 . 2 . 1 31 31 GLU C C 13 176.3066636 0.007119292407 . . . . . . . 31 GLU C . 53285 1
434 . 2 . 1 31 31 GLU CA C 13 56.93770133 0.01324971942 . . . . . . . 31 GLU CA . 53285 1
435 . 2 . 1 31 31 GLU CB C 13 30.11958057 0.01162095064 . . . . . . . 31 GLU CB . 53285 1
436 . 2 . 1 31 31 GLU N N 15 120.694025 0.02951931902 . . . . . . . 31 GLU N . 53285 1
437 . 2 . 1 32 32 ASP H H 1 8.17197358 0.001420089957 . . . . . . . 32 ASP H . 53285 1
438 . 2 . 1 32 32 ASP C C 13 176.0818279 0.005441774955 . . . . . . . 32 ASP C . 53285 1
439 . 2 . 1 32 32 ASP CA C 13 54.42803438 0.009498511643 . . . . . . . 32 ASP CA . 53285 1
440 . 2 . 1 32 32 ASP CB C 13 41.41052391 0.0433362554 . . . . . . . 32 ASP CB . 53285 1
441 . 2 . 1 32 32 ASP N N 15 120.6032842 0.01464752117 . . . . . . . 32 ASP N . 53285 1
442 . 2 . 1 33 33 ASP H H 1 8.230889609 0.001494916356 . . . . . . . 33 ASP H . 53285 1
443 . 2 . 1 33 33 ASP C C 13 176.9257405 0.0023231154 . . . . . . . 33 ASP C . 53285 1
444 . 2 . 1 33 33 ASP CA C 13 54.44056122 0.0324248044 . . . . . . . 33 ASP CA . 53285 1
445 . 2 . 1 33 33 ASP CB C 13 41.07200317 0.01081115094 . . . . . . . 33 ASP CB . 53285 1
446 . 2 . 1 33 33 ASP N N 15 121.5477398 0.0003152928637 . . . . . . . 33 ASP N . 53285 1
447 . 2 . 1 34 34 SER H H 1 8.350792211 0.0009726204771 . . . . . . . 34 SER H . 53285 1
448 . 2 . 1 34 34 SER C C 13 174.9854317 0.01406283102 . . . . . . . 34 SER C . 53285 1
449 . 2 . 1 34 34 SER CA C 13 59.63440825 0.00190930838 . . . . . . . 34 SER CA . 53285 1
450 . 2 . 1 34 34 SER CB C 13 63.54560622 0.01318489802 . . . . . . . 34 SER CB . 53285 1
451 . 2 . 1 34 34 SER N N 15 116.4256588 0.02663991746 . . . . . . . 34 SER N . 53285 1
452 . 2 . 1 35 35 ASN H H 1 8.3659451 0.001823657945 . . . . . . . 35 ASN H . 53285 1
453 . 2 . 1 35 35 ASN C C 13 175.3758083 0.002437569166 . . . . . . . 35 ASN C . 53285 1
454 . 2 . 1 35 35 ASN CA C 13 53.80558462 0.002878339734 . . . . . . . 35 ASN CA . 53285 1
455 . 2 . 1 35 35 ASN CB C 13 38.78380705 0.006741303365 . . . . . . . 35 ASN CB . 53285 1
456 . 2 . 1 35 35 ASN N N 15 119.862241 0.008110323154 . . . . . . . 35 ASN N . 53285 1
457 . 2 . 1 36 36 TRP H H 1 7.856242891 0.001751141105 . . . . . . . 36 TRP H . 53285 1
458 . 2 . 1 36 36 TRP HE1 H 1 10.13194305 0 . . . . . . . 36 TRP HE1 . 53285 1
459 . 2 . 1 36 36 TRP C C 13 176.0619576 0.001101831904 . . . . . . . 36 TRP C . 53285 1
460 . 2 . 1 36 36 TRP CA C 13 57.71745532 0.006634906221 . . . . . . . 36 TRP CA . 53285 1
461 . 2 . 1 36 36 TRP CB C 13 29.36572121 0.008326992603 . . . . . . . 36 TRP CB . 53285 1
462 . 2 . 1 36 36 TRP N N 15 120.6708832 0.01326927269 . . . . . . . 36 TRP N . 53285 1
463 . 2 . 1 36 36 TRP NE1 N 15 129.380941 0 . . . . . . . 36 TRP NE1 . 53285 1
464 . 2 . 1 37 37 TYR H H 1 7.756881011 0.001626385376 . . . . . . . 37 TYR H . 53285 1
465 . 2 . 1 37 37 TYR C C 13 175.430311 0.004348828917 . . . . . . . 37 TYR C . 53285 1
466 . 2 . 1 37 37 TYR CA C 13 58.31652187 0.0207275693 . . . . . . . 37 TYR CA . 53285 1
467 . 2 . 1 37 37 TYR CB C 13 38.42998778 0.01986872383 . . . . . . . 37 TYR CB . 53285 1
468 . 2 . 1 37 37 TYR N N 15 120.884169 0.04809890722 . . . . . . . 37 TYR N . 53285 1
469 . 2 . 1 38 38 ARG H H 1 7.801026652 0.001416195329 . . . . . . . 38 ARG H . 53285 1
470 . 2 . 1 38 38 ARG C C 13 175.7173977 0.002054172859 . . . . . . . 38 ARG C . 53285 1
471 . 2 . 1 38 38 ARG CA C 13 55.87780217 0.008567477025 . . . . . . . 38 ARG CA . 53285 1
472 . 2 . 1 38 38 ARG CB C 13 30.78876805 0.023860319 . . . . . . . 38 ARG CB . 53285 1
473 . 2 . 1 38 38 ARG N N 15 122.8880977 0.03502570052 . . . . . . . 38 ARG N . 53285 1
474 . 2 . 1 39 39 ALA H H 1 8.136251539 0.002013983741 . . . . . . . 39 ALA H . 53285 1
475 . 2 . 1 39 39 ALA C C 13 178.0968578 0.003607461909 . . . . . . . 39 ALA C . 53285 1
476 . 2 . 1 39 39 ALA CA C 13 53.08478451 0.01346085148 . . . . . . . 39 ALA CA . 53285 1
477 . 2 . 1 39 39 ALA CB C 13 19.11516579 0.0137443057 . . . . . . . 39 ALA CB . 53285 1
478 . 2 . 1 39 39 ALA N N 15 125.1435566 0.01574684287 . . . . . . . 39 ALA N . 53285 1
479 . 2 . 1 40 40 GLU H H 1 8.419991669 0.001681444029 . . . . . . . 40 GLU H . 53285 1
480 . 2 . 1 40 40 GLU C C 13 176.8373633 0.005343178728 . . . . . . . 40 GLU C . 53285 1
481 . 2 . 1 40 40 GLU CA C 13 56.97682478 0.008021386083 . . . . . . . 40 GLU CA . 53285 1
482 . 2 . 1 40 40 GLU CB C 13 29.86501396 0.01273912403 . . . . . . . 40 GLU CB . 53285 1
483 . 2 . 1 40 40 GLU N N 15 119.1627053 0.03938956731 . . . . . . . 40 GLU N . 53285 1
484 . 2 . 1 41 41 LEU H H 1 8.075742059 0.001721419229 . . . . . . . 41 LEU H . 53285 1
485 . 2 . 1 41 41 LEU C C 13 177.3673144 0.005728082334 . . . . . . . 41 LEU C . 53285 1
486 . 2 . 1 41 41 LEU CA C 13 55.3787571 0.03584193178 . . . . . . . 41 LEU CA . 53285 1
487 . 2 . 1 41 41 LEU CB C 13 42.26623986 0.008230149746 . . . . . . . 41 LEU CB . 53285 1
488 . 2 . 1 41 41 LEU N N 15 121.9045038 0.01965996562 . . . . . . . 41 LEU N . 53285 1
489 . 2 . 1 42 42 ASP H H 1 8.236238948 0.001492939415 . . . . . . . 42 ASP H . 53285 1
490 . 2 . 1 42 42 ASP C C 13 176.9923623 0.00605673145 . . . . . . . 42 ASP C . 53285 1
491 . 2 . 1 42 42 ASP CA C 13 54.6946929 0.00313823615 . . . . . . . 42 ASP CA . 53285 1
492 . 2 . 1 42 42 ASP CB C 13 41.22508566 0.007758346126 . . . . . . . 42 ASP CB . 53285 1
493 . 2 . 1 42 42 ASP N N 15 120.5058317 0.04116994322 . . . . . . . 42 ASP N . 53285 1
494 . 2 . 1 43 43 GLY H H 1 8.345322569 0.002297637868 . . . . . . . 43 GLY H . 53285 1
495 . 2 . 1 43 43 GLY C C 13 174.736287 0.005358120846 . . . . . . . 43 GLY C . 53285 1
496 . 2 . 1 43 43 GLY CA C 13 45.74694521 0.007325751484 . . . . . . . 43 GLY CA . 53285 1
497 . 2 . 1 43 43 GLY N N 15 109.2903449 0.02183178428 . . . . . . . 43 GLY N . 53285 1
498 . 2 . 1 44 44 LYS H H 1 8.125966528 0.001175788816 . . . . . . . 44 LYS H . 53285 1
499 . 2 . 1 44 44 LYS C C 13 176.8273198 0.001532308622 . . . . . . . 44 LYS C . 53285 1
500 . 2 . 1 44 44 LYS CA C 13 56.40452885 0.03040740901 . . . . . . . 44 LYS CA . 53285 1
501 . 2 . 1 44 44 LYS CB C 13 32.82057701 0.0172748024 . . . . . . . 44 LYS CB . 53285 1
502 . 2 . 1 44 44 LYS N N 15 120.4614575 0.005228983145 . . . . . . . 44 LYS N . 53285 1
503 . 2 . 1 45 45 GLU H H 1 8.537052995 0.001402800926 . . . . . . . 45 GLU H . 53285 1
504 . 2 . 1 45 45 GLU C C 13 177.0530747 0.005364358266 . . . . . . . 45 GLU C . 53285 1
505 . 2 . 1 45 45 GLU CA C 13 57.18900279 0.01535666121 . . . . . . . 45 GLU CA . 53285 1
506 . 2 . 1 45 45 GLU CB C 13 29.98855846 0.004562891654 . . . . . . . 45 GLU CB . 53285 1
507 . 2 . 1 45 45 GLU N N 15 121.2090761 0.01198227798 . . . . . . . 45 GLU N . 53285 1
508 . 2 . 1 46 46 GLY H H 1 8.375872474 0.001082197728 . . . . . . . 46 GLY H . 53285 1
509 . 2 . 1 46 46 GLY C C 13 173.8769875 0.004024620868 . . . . . . . 46 GLY C . 53285 1
510 . 2 . 1 46 46 GLY CA C 13 45.30531466 0.006745928747 . . . . . . . 46 GLY CA . 53285 1
511 . 2 . 1 46 46 GLY N N 15 109.5155041 0.02452477643 . . . . . . . 46 GLY N . 53285 1
512 . 2 . 1 47 47 LEU H H 1 7.972157192 0.002240653858 . . . . . . . 47 LEU H . 53285 1
513 . 2 . 1 47 47 LEU C C 13 177.0641588 0.0035907625 . . . . . . . 47 LEU C . 53285 1
514 . 2 . 1 47 47 LEU CA C 13 55.12524124 0.01420874267 . . . . . . . 47 LEU CA . 53285 1
515 . 2 . 1 47 47 LEU CB C 13 42.46772653 0.01433528584 . . . . . . . 47 LEU CB . 53285 1
516 . 2 . 1 47 47 LEU N N 15 121.3613869 0.006718887814 . . . . . . . 47 LEU N . 53285 1
517 . 2 . 1 48 48 ILE H H 1 8.158114484 0.00185019603 . . . . . . . 48 ILE H . 53285 1
518 . 2 . 1 48 48 ILE C C 13 174.6102963 0 . . . . . . . 48 ILE C . 53285 1
519 . 2 . 1 48 48 ILE CA C 13 58.48198184 0 . . . . . . . 48 ILE CA . 53285 1
520 . 2 . 1 48 48 ILE CB C 13 38.56957106 0 . . . . . . . 48 ILE CB . 53285 1
521 . 2 . 1 48 48 ILE N N 15 123.3164297 0.05490145677 . . . . . . . 48 ILE N . 53285 1
522 . 2 . 1 49 49 PRO C C 13 177.1067239 0.0003131945443 . . . . . . . 49 PRO C . 53285 1
523 . 2 . 1 49 49 PRO CA C 13 63.38211468 0 . . . . . . . 49 PRO CA . 53285 1
524 . 2 . 1 49 49 PRO CB C 13 32.22618159 0 . . . . . . . 49 PRO CB . 53285 1
525 . 2 . 1 50 50 SER H H 1 8.409349454 0.0009965040929 . . . . . . . 50 SER H . 53285 1
526 . 2 . 1 50 50 SER C C 13 174.47115 0 . . . . . . . 50 SER C . 53285 1
527 . 2 . 1 50 50 SER CA C 13 58.88393399 0 . . . . . . . 50 SER CA . 53285 1
528 . 2 . 1 50 50 SER CB C 13 63.67894616 0 . . . . . . . 50 SER CB . 53285 1
529 . 2 . 1 50 50 SER N N 15 115.9105625 0.02118798663 . . . . . . . 50 SER N . 53285 1
530 . 2 . 1 51 51 ASN C C 13 174.7835065 0.004654276163 . . . . . . . 51 ASN C . 53285 1
531 . 2 . 1 51 51 ASN CA C 13 53.22071216 0.004086269152 . . . . . . . 51 ASN CA . 53285 1
532 . 2 . 1 51 51 ASN CB C 13 38.61806227 0 . . . . . . . 51 ASN CB . 53285 1
533 . 2 . 1 52 52 TYR H H 1 8.026384095 0.001483999631 . . . . . . . 52 TYR H . 53285 1
534 . 2 . 1 52 52 TYR C C 13 175.4585788 0.00496637765 . . . . . . . 52 TYR C . 53285 1
535 . 2 . 1 52 52 TYR CA C 13 58.46021336 0.02020041927 . . . . . . . 52 TYR CA . 53285 1
536 . 2 . 1 52 52 TYR CB C 13 38.74601361 0.0112497402 . . . . . . . 52 TYR CB . 53285 1
537 . 2 . 1 52 52 TYR N N 15 120.6299727 0.01261428108 . . . . . . . 52 TYR N . 53285 1
538 . 2 . 1 53 53 ILE H H 1 7.819550572 0.001760138704 . . . . . . . 53 ILE H . 53285 1
539 . 2 . 1 53 53 ILE C C 13 175.5336156 0.005266607158 . . . . . . . 53 ILE C . 53285 1
540 . 2 . 1 53 53 ILE CA C 13 60.9566141 0.02253197015 . . . . . . . 53 ILE CA . 53285 1
541 . 2 . 1 53 53 ILE CB C 13 38.92678003 0.0764005212 . . . . . . . 53 ILE CB . 53285 1
542 . 2 . 1 53 53 ILE N N 15 123.3299526 0.09084053936 . . . . . . . 53 ILE N . 53285 1
543 . 2 . 1 54 54 GLU H H 1 8.271534535 0.001568302553 . . . . . . . 54 GLU H . 53285 1
544 . 2 . 1 54 54 GLU C C 13 176.2903682 0.003669424004 . . . . . . . 54 GLU C . 53285 1
545 . 2 . 1 54 54 GLU CA C 13 56.56166617 0.00811133939 . . . . . . . 54 GLU CA . 53285 1
546 . 2 . 1 54 54 GLU CB C 13 30.306744 0.0004419139655 . . . . . . . 54 GLU CB . 53285 1
547 . 2 . 1 54 54 GLU N N 15 124.6862161 0.02345079404 . . . . . . . 54 GLU N . 53285 1
548 . 2 . 1 55 55 MET H H 1 8.319351701 0.002444289375 . . . . . . . 55 MET H . 53285 1
549 . 2 . 1 55 55 MET C C 13 175.9870166 0.003376416543 . . . . . . . 55 MET C . 53285 1
550 . 2 . 1 55 55 MET CA C 13 55.42664126 0.00363524594 . . . . . . . 55 MET CA . 53285 1
551 . 2 . 1 55 55 MET CB C 13 32.87286479 0.03352899948 . . . . . . . 55 MET CB . 53285 1
552 . 2 . 1 55 55 MET N N 15 122.6591026 0.01735215154 . . . . . . . 55 MET N . 53285 1
553 . 2 . 1 56 56 LYS H H 1 8.298219709 0.001882539951 . . . . . . . 56 LYS H . 53285 1
554 . 2 . 1 56 56 LYS C C 13 176.055311 0 . . . . . . . 56 LYS C . 53285 1
555 . 2 . 1 56 56 LYS CA C 13 56.16696426 0 . . . . . . . 56 LYS CA . 53285 1
556 . 2 . 1 56 56 LYS CB C 13 33.05923718 0 . . . . . . . 56 LYS CB . 53285 1
557 . 2 . 1 56 56 LYS N N 15 122.6627268 0.01015847095 . . . . . . . 56 LYS N . 53285 1
558 . 2 . 1 58 58 HIS C C 13 173.729045 0 . . . . . . . 58 HIS C . 53285 1
559 . 2 . 1 59 59 ASP H H 1 8.181667102 0.006945768171 . . . . . . . 59 ASP H . 53285 1
560 . 2 . 1 59 59 ASP C C 13 181.1279599 0 . . . . . . . 59 ASP C . 53285 1
561 . 2 . 1 59 59 ASP CA C 13 56.03350983 0 . . . . . . . 59 ASP CA . 53285 1
562 . 2 . 1 59 59 ASP CB C 13 42.04830116 0 . . . . . . . 59 ASP CB . 53285 1
563 . 2 . 1 59 59 ASP N N 15 127.0142091 0.01434749664 . . . . . . . 59 ASP N . 53285 1
stop_
save_