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 52372
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name '1H-13C-15N CCHFV Gn-Cyto'
_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
6 '2D 1H-13C HSQC' . . . 52372 1
7 '3D C(CO)NH' . . . 52372 1
8 '3D CCH-TOCSY' . . . 52372 1
9 '3D HCCH-TOCSY' . . . 52372 1
10 '2D 1H-15N HSQC' . . . 52372 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 . . 52372 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 HA H 1 4.267998356 0.001742283867 . . . . . . . 731 MET HA . 52372 1
2 . 1 . 1 1 1 MET HB2 H 1 2.211620312 0.00359206441 . . . . . . . 731 MET HB2 . 52372 1
3 . 1 . 1 1 1 MET HB3 H 1 2.220253761 0.006136205953 . . . . . . . 731 MET HB3 . 52372 1
4 . 1 . 1 1 1 MET HE1 H 1 2.048359801 0.008172453851 . . . . . . . 731 MET HE# . 52372 1
5 . 1 . 1 1 1 MET HE2 H 1 2.048359801 0.008172453851 . . . . . . . 731 MET HE# . 52372 1
6 . 1 . 1 1 1 MET HE3 H 1 2.048359801 0.008172453851 . . . . . . . 731 MET HE# . 52372 1
7 . 1 . 1 1 1 MET CA C 13 56.57906798 0.04100952207 . . . . . . . 731 MET CA . 52372 1
8 . 1 . 1 1 1 MET CB C 13 36.32847879 0.05244113956 . . . . . . . 731 MET CB . 52372 1
9 . 1 . 1 1 1 MET CG C 13 30.0271152 0.09402671473 . . . . . . . 731 MET CG . 52372 1
10 . 1 . 1 1 1 MET CE C 13 17.23542889 0.0003628904649 . . . . . . . 731 MET CE . 52372 1
11 . 1 . 1 2 2 LYS H H 1 8.158 . . . . . . . . 732 LYS H . 52372 1
12 . 1 . 1 2 2 LYS HA H 1 4.610483913 0.0007931581458 . . . . . . . 732 LYS HA . 52372 1
13 . 1 . 1 2 2 LYS HB2 H 1 1.702471824 0.005032195458 . . . . . . . 732 LYS HB2 . 52372 1
14 . 1 . 1 2 2 LYS HB3 H 1 1.807854337 0.002056227059 . . . . . . . 732 LYS HB3 . 52372 1
15 . 1 . 1 2 2 LYS HG2 H 1 1.463363822 0.0003900030376 . . . . . . . 732 LYS HG2 . 52372 1
16 . 1 . 1 2 2 LYS HG3 H 1 1.466511967 0.003707765544 . . . . . . . 732 LYS HG3 . 52372 1
17 . 1 . 1 2 2 LYS HD2 H 1 1.695346103 0.005200282474 . . . . . . . 732 LYS HD2 . 52372 1
18 . 1 . 1 2 2 LYS HD3 H 1 1.685109732 0.004705651404 . . . . . . . 732 LYS HD3 . 52372 1
19 . 1 . 1 2 2 LYS HE2 H 1 2.993664792 0.001682624625 . . . . . . . 732 LYS HE2 . 52372 1
20 . 1 . 1 2 2 LYS HE3 H 1 2.992251476 0.002922351783 . . . . . . . 732 LYS HE3 . 52372 1
21 . 1 . 1 2 2 LYS CA C 13 54.44489724 0.01654905581 . . . . . . . 732 LYS CA . 52372 1
22 . 1 . 1 2 2 LYS CB C 13 32.4374398 0.03923295701 . . . . . . . 732 LYS CB . 52372 1
23 . 1 . 1 2 2 LYS CG C 13 24.53257282 0.04555160304 . . . . . . . 732 LYS CG . 52372 1
24 . 1 . 1 2 2 LYS CD C 13 29.252518 0.02218217359 . . . . . . . 732 LYS CD . 52372 1
25 . 1 . 1 2 2 LYS CE C 13 42.15115739 0.04000201892 . . . . . . . 732 LYS CE . 52372 1
26 . 1 . 1 2 2 LYS N N 15 120.295 . . . . . . . . 732 LYS N . 52372 1
27 . 1 . 1 3 3 PRO HA H 1 4.321869406 0.004493725398 . . . . . . . 733 PRO HA . 52372 1
28 . 1 . 1 3 3 PRO HB2 H 1 1.735500664 0 . . . . . . . 733 PRO HB2 . 52372 1
29 . 1 . 1 3 3 PRO HB3 H 1 2.148032879 0.0000244 . . . . . . . 733 PRO HB3 . 52372 1
30 . 1 . 1 3 3 PRO HG2 H 1 1.738200136 0.004929398095 . . . . . . . 733 PRO HG2 . 52372 1
31 . 1 . 1 3 3 PRO HG3 H 1 1.726492263 0.006318404877 . . . . . . . 733 PRO HG3 . 52372 1
32 . 1 . 1 3 3 PRO HD2 H 1 3.516082314 0.005687546022 . . . . . . . 733 PRO HD2 . 52372 1
33 . 1 . 1 3 3 PRO HD3 H 1 3.803972426 . . . . . . . . 733 PRO HD3 . 52372 1
34 . 1 . 1 3 3 PRO CA C 13 62.9225127 0.08898495946 . . . . . . . 733 PRO CA . 52372 1
35 . 1 . 1 3 3 PRO CB C 13 32.38811945 0.06556274557 . . . . . . . 733 PRO CB . 52372 1
36 . 1 . 1 3 3 PRO CG C 13 27.41194612 0.01787920282 . . . . . . . 733 PRO CG . 52372 1
37 . 1 . 1 3 3 PRO CD C 13 50.64950894 0.02601596598 . . . . . . . 733 PRO CD . 52372 1
38 . 1 . 1 4 4 GLN H H 1 8.346170112 0.0001534835227 . . . . . . . 734 GLN H . 52372 1
39 . 1 . 1 4 4 GLN HA H 1 4.278886355 0.001568771084 . . . . . . . 734 GLN HA . 52372 1
40 . 1 . 1 4 4 GLN HB2 H 1 1.925517939 0.004125034051 . . . . . . . 734 GLN HB2 . 52372 1
41 . 1 . 1 4 4 GLN HB3 H 1 2.074413991 0.002014999009 . . . . . . . 734 GLN HB3 . 52372 1
42 . 1 . 1 4 4 GLN HG2 H 1 2.392722038 0.001370976551 . . . . . . . 734 GLN HG2 . 52372 1
43 . 1 . 1 4 4 GLN HG3 H 1 2.394190665 0.001650447821 . . . . . . . 734 GLN HG3 . 52372 1
44 . 1 . 1 4 4 GLN CA C 13 55.20912375 0.04711501594 . . . . . . . 734 GLN CA . 52372 1
45 . 1 . 1 4 4 GLN CB C 13 29.80597966 0.09217308837 . . . . . . . 734 GLN CB . 52372 1
46 . 1 . 1 4 4 GLN CG C 13 33.92762776 0.07753137323 . . . . . . . 734 GLN CG . 52372 1
47 . 1 . 1 4 4 GLN N N 15 120.3468988 0.03717347541 . . . . . . . 734 GLN N . 52372 1
48 . 1 . 1 5 5 THR H H 1 8.108834278 0.001191034568 . . . . . . . 735 THR H . 52372 1
49 . 1 . 1 5 5 THR HA H 1 3.854421982 0.004983456222 . . . . . . . 735 THR HA . 52372 1
50 . 1 . 1 5 5 THR HB H 1 3.710564653 0.002716675576 . . . . . . . 735 THR HB . 52372 1
51 . 1 . 1 5 5 THR HG21 H 1 0.9048867632 0.005368295057 . . . . . . . 735 THR HG2# . 52372 1
52 . 1 . 1 5 5 THR HG22 H 1 0.9048867632 0.005368295057 . . . . . . . 735 THR HG2# . 52372 1
53 . 1 . 1 5 5 THR HG23 H 1 0.9048867632 0.005368295057 . . . . . . . 735 THR HG2# . 52372 1
54 . 1 . 1 5 5 THR CA C 13 63.8665501 0.07522749881 . . . . . . . 735 THR CA . 52372 1
55 . 1 . 1 5 5 THR CB C 13 70.14013164 0.02328637175 . . . . . . . 735 THR CB . 52372 1
56 . 1 . 1 5 5 THR CG2 C 13 21.53192546 0.07711142745 . . . . . . . 735 THR CG2 . 52372 1
57 . 1 . 1 5 5 THR N N 15 116.6113181 0.0769250404 . . . . . . . 735 THR N . 52372 1
58 . 1 . 1 6 6 CYS H H 1 8.340819767 0.0008379673942 . . . . . . . 736 CYS H . 52372 1
59 . 1 . 1 6 6 CYS HA H 1 4.468593987 0.006434230119 . . . . . . . 736 CYS HA . 52372 1
60 . 1 . 1 6 6 CYS HB2 H 1 2.455133176 0.01384597813 . . . . . . . 736 CYS HB2 . 52372 1
61 . 1 . 1 6 6 CYS HB3 H 1 3.555371081 0.002406935788 . . . . . . . 736 CYS HB3 . 52372 1
62 . 1 . 1 6 6 CYS CA C 13 59.67176259 0.04570417655 . . . . . . . 736 CYS CA . 52372 1
63 . 1 . 1 6 6 CYS CB C 13 30.25052004 0.09197383526 . . . . . . . 736 CYS CB . 52372 1
64 . 1 . 1 6 6 CYS N N 15 128.4063802 0.04931319295 . . . . . . . 736 CYS N . 52372 1
65 . 1 . 1 7 7 THR H H 1 8.800470761 0 . . . . . . . 737 THR H . 52372 1
66 . 1 . 1 7 7 THR HA H 1 4.057217713 0.001597989473 . . . . . . . 737 THR HA . 52372 1
67 . 1 . 1 7 7 THR HB H 1 4.360205826 0.002133540402 . . . . . . . 737 THR HB . 52372 1
68 . 1 . 1 7 7 THR CA C 13 63.80453323 0.04164959758 . . . . . . . 737 THR CA . 52372 1
69 . 1 . 1 7 7 THR CB C 13 68.8845503 0.02370758673 . . . . . . . 737 THR CB . 52372 1
70 . 1 . 1 7 7 THR CG2 C 13 22.06935093 0.02022001462 . . . . . . . 737 THR CG2 . 52372 1
71 . 1 . 1 7 7 THR N N 15 121.9061813 0.0000013 . . . . . . . 737 THR N . 52372 1
72 . 1 . 1 8 8 ILE H H 1 8.486077727 0.0003258032847 . . . . . . . 738 ILE H . 52372 1
73 . 1 . 1 8 8 ILE HA H 1 4.110404467 0.002611465647 . . . . . . . 738 ILE HA . 52372 1
74 . 1 . 1 8 8 ILE HB H 1 1.781955783 0.002832317851 . . . . . . . 738 ILE HB . 52372 1
75 . 1 . 1 8 8 ILE HG12 H 1 1.417781746 0.003189511218 . . . . . . . 738 ILE HG12 . 52372 1
76 . 1 . 1 8 8 ILE HG13 H 1 1.210500372 0 . . . . . . . 738 ILE HG13 . 52372 1
77 . 1 . 1 8 8 ILE HG21 H 1 0.8070226602 0.002014346446 . . . . . . . 738 ILE HG2# . 52372 1
78 . 1 . 1 8 8 ILE HG22 H 1 0.8070226602 0.002014346446 . . . . . . . 738 ILE HG2# . 52372 1
79 . 1 . 1 8 8 ILE HG23 H 1 0.8070226602 0.002014346446 . . . . . . . 738 ILE HG2# . 52372 1
80 . 1 . 1 8 8 ILE HD11 H 1 0.7380389988 0.001971353472 . . . . . . . 738 ILE HD1 . 52372 1
81 . 1 . 1 8 8 ILE HD12 H 1 0.7380389988 0.001971353472 . . . . . . . 738 ILE HD1 . 52372 1
82 . 1 . 1 8 8 ILE HD13 H 1 0.7380389988 0.001971353472 . . . . . . . 738 ILE HD1 . 52372 1
83 . 1 . 1 8 8 ILE CA C 13 63.27964481 0.01463233672 . . . . . . . 738 ILE CA . 52372 1
84 . 1 . 1 8 8 ILE CB C 13 38.23968479 0.08595577084 . . . . . . . 738 ILE CB . 52372 1
85 . 1 . 1 8 8 ILE CG1 C 13 27.60592079 0.01545491519 . . . . . . . 738 ILE CG1 . 52372 1
86 . 1 . 1 8 8 ILE CG2 C 13 18.3893454 0.02079727504 . . . . . . . 738 ILE CG2 . 52372 1
87 . 1 . 1 8 8 ILE CD1 C 13 12.09900013 0.01855485141 . . . . . . . 738 ILE CD1 . 52372 1
88 . 1 . 1 8 8 ILE N N 15 122.3599805 0.0003297093625 . . . . . . . 738 ILE N . 52372 1
89 . 1 . 1 9 9 CYS H H 1 8.311119903 0.001458823762 . . . . . . . 739 CYS H . 52372 1
90 . 1 . 1 9 9 CYS HA H 1 4.590767493 0.004590425304 . . . . . . . 739 CYS HA . 52372 1
91 . 1 . 1 9 9 CYS HB2 H 1 3.065208799 0.001378556007 . . . . . . . 739 CYS HB2 . 52372 1
92 . 1 . 1 9 9 CYS HB3 H 1 3.287341236 0.002524115432 . . . . . . . 739 CYS HB3 . 52372 1
93 . 1 . 1 9 9 CYS CA C 13 59.22115892 0.007683729673 . . . . . . . 739 CYS CA . 52372 1
94 . 1 . 1 9 9 CYS CB C 13 30.96168598 0.03666460238 . . . . . . . 739 CYS CB . 52372 1
95 . 1 . 1 9 9 CYS N N 15 117.9581991 0.008966792615 . . . . . . . 739 CYS N . 52372 1
96 . 1 . 1 10 10 GLU H H 1 7.602508723 0.0005230147306 . . . . . . . 740 GLU H . 52372 1
97 . 1 . 1 10 10 GLU HA H 1 3.94473478 0.002486700301 . . . . . . . 740 GLU HA . 52372 1
98 . 1 . 1 10 10 GLU HB2 H 1 2.233301403 0.00869074175 . . . . . . . 740 GLU HB2 . 52372 1
99 . 1 . 1 10 10 GLU HB3 H 1 2.296076038 0.003228719206 . . . . . . . 740 GLU HB3 . 52372 1
100 . 1 . 1 10 10 GLU HG2 H 1 2.049876259 0.001345416709 . . . . . . . 740 GLU HG2 . 52372 1
101 . 1 . 1 10 10 GLU HG3 H 1 2.050842147 0.0000458 . . . . . . . 740 GLU HG3 . 52372 1
102 . 1 . 1 10 10 GLU CA C 13 58.11864706 0.04540850091 . . . . . . . 740 GLU CA . 52372 1
103 . 1 . 1 10 10 GLU CB C 13 26.69772424 0.04587405182 . . . . . . . 740 GLU CB . 52372 1
104 . 1 . 1 10 10 GLU CG C 13 36.69383166 0.02068941157 . . . . . . . 740 GLU CG . 52372 1
105 . 1 . 1 10 10 GLU N N 15 113.8341655 0.07026787506 . . . . . . . 740 GLU N . 52372 1
106 . 1 . 1 11 11 THR H H 1 8.469498545 0.00504926594 . . . . . . . 741 THR H . 52372 1
107 . 1 . 1 11 11 THR HA H 1 4.642617423 0.004437099443 . . . . . . . 741 THR HA . 52372 1
108 . 1 . 1 11 11 THR HB H 1 4.147267424 0.003483283473 . . . . . . . 741 THR HB . 52372 1
109 . 1 . 1 11 11 THR HG21 H 1 1.140694883 0.001520693683 . . . . . . . 741 THR HG2# . 52372 1
110 . 1 . 1 11 11 THR HG22 H 1 1.140694883 0.001520693683 . . . . . . . 741 THR HG2# . 52372 1
111 . 1 . 1 11 11 THR HG23 H 1 1.140694883 0.001520693683 . . . . . . . 741 THR HG2# . 52372 1
112 . 1 . 1 11 11 THR CA C 13 61.93138297 0.03283155649 . . . . . . . 741 THR CA . 52372 1
113 . 1 . 1 11 11 THR CB C 13 70.92447899 0.05203255151 . . . . . . . 741 THR CB . 52372 1
114 . 1 . 1 11 11 THR CG2 C 13 22.44778792 0.01763810755 . . . . . . . 741 THR CG2 . 52372 1
115 . 1 . 1 11 11 THR N N 15 115.0424863 0.04792318778 . . . . . . . 741 THR N . 52372 1
116 . 1 . 1 12 12 THR H H 1 8.802853118 . . . . . . . . 742 THR H . 52372 1
117 . 1 . 1 12 12 THR HA H 1 4.462442541 0.001638185843 . . . . . . . 742 THR HA . 52372 1
118 . 1 . 1 12 12 THR HB H 1 3.946887836 0.001391093487 . . . . . . . 742 THR HB . 52372 1
119 . 1 . 1 12 12 THR HG21 H 1 1.144277248 0.004750380954 . . . . . . . 742 THR HG2# . 52372 1
120 . 1 . 1 12 12 THR HG22 H 1 1.144277248 0.004750380954 . . . . . . . 742 THR HG2# . 52372 1
121 . 1 . 1 12 12 THR HG23 H 1 1.144277248 0.004750380954 . . . . . . . 742 THR HG2# . 52372 1
122 . 1 . 1 12 12 THR CA C 13 60.78754939 0.03408812638 . . . . . . . 742 THR CA . 52372 1
123 . 1 . 1 12 12 THR CB C 13 69.53114107 0.02049945595 . . . . . . . 742 THR CB . 52372 1
124 . 1 . 1 12 12 THR CG2 C 13 21.53835305 0.01647628705 . . . . . . . 742 THR CG2 . 52372 1
125 . 1 . 1 12 12 THR N N 15 120.9584766 . . . . . . . . 742 THR N . 52372 1
126 . 1 . 1 13 13 PRO HA H 1 4.358324063 0.002579702159 . . . . . . . 743 PRO HA . 52372 1
127 . 1 . 1 13 13 PRO HB2 H 1 1.640966224 0.002038090004 . . . . . . . 743 PRO HB2 . 52372 1
128 . 1 . 1 13 13 PRO HB3 H 1 1.893128005 0.003375469848 . . . . . . . 743 PRO HB3 . 52372 1
129 . 1 . 1 13 13 PRO HD2 H 1 4.025507586 0 . . . . . . . 743 PRO HD2 . 52372 1
130 . 1 . 1 13 13 PRO HD3 H 1 3.514338731 0.005314410001 . . . . . . . 743 PRO HD3 . 52372 1
131 . 1 . 1 13 13 PRO CA C 13 61.85847876 0.02379446996 . . . . . . . 743 PRO CA . 52372 1
132 . 1 . 1 13 13 PRO CB C 13 32.15487914 0.02090402418 . . . . . . . 743 PRO CB . 52372 1
133 . 1 . 1 13 13 PRO CG C 13 27.00193095 0 . . . . . . . 743 PRO CG . 52372 1
134 . 1 . 1 13 13 PRO CD C 13 52.16424524 0.0009441204744 . . . . . . . 743 PRO CD . 52372 1
135 . 1 . 1 14 14 VAL H H 1 10.01276128 0 . . . . . . . 744 VAL H . 52372 1
136 . 1 . 1 14 14 VAL HA H 1 4.056214123 0.001381368671 . . . . . . . 744 VAL HA . 52372 1
137 . 1 . 1 14 14 VAL HB H 1 2.27586819 0.002600902739 . . . . . . . 744 VAL HB . 52372 1
138 . 1 . 1 14 14 VAL HG11 H 1 1.013014077 0.001516644816 . . . . . . . 744 VAL HG1# . 52372 1
139 . 1 . 1 14 14 VAL HG12 H 1 1.013014077 0.001516644816 . . . . . . . 744 VAL HG1# . 52372 1
140 . 1 . 1 14 14 VAL HG13 H 1 1.013014077 0.001516644816 . . . . . . . 744 VAL HG1# . 52372 1
141 . 1 . 1 14 14 VAL HG21 H 1 1.013693846 0.005888273948 . . . . . . . 744 VAL HG2# . 52372 1
142 . 1 . 1 14 14 VAL HG22 H 1 1.013693846 0.005888273948 . . . . . . . 744 VAL HG2# . 52372 1
143 . 1 . 1 14 14 VAL HG23 H 1 1.013693846 0.005888273948 . . . . . . . 744 VAL HG2# . 52372 1
144 . 1 . 1 14 14 VAL CA C 13 63.71200782 0.05987517904 . . . . . . . 744 VAL CA . 52372 1
145 . 1 . 1 14 14 VAL CB C 13 32.47594387 0.03477451955 . . . . . . . 744 VAL CB . 52372 1
146 . 1 . 1 14 14 VAL CG1 C 13 22.05677669 0.02586232463 . . . . . . . 744 VAL CG1 . 52372 1
147 . 1 . 1 14 14 VAL CG2 C 13 19.90515979 0.01947209826 . . . . . . . 744 VAL CG2 . 52372 1
148 . 1 . 1 14 14 VAL N N 15 116.0891584 0.0000013 . . . . . . . 744 VAL N . 52372 1
149 . 1 . 1 15 15 ASN H H 1 7.542306312 0.004170824064 . . . . . . . 745 ASN H . 52372 1
150 . 1 . 1 15 15 ASN HA H 1 4.554821265 0.001362441459 . . . . . . . 745 ASN HA . 52372 1
151 . 1 . 1 15 15 ASN HB2 H 1 3.222148726 0.002856700267 . . . . . . . 745 ASN HB2 . 52372 1
152 . 1 . 1 15 15 ASN HB3 H 1 3.417349051 0.003809507416 . . . . . . . 745 ASN HB3 . 52372 1
153 . 1 . 1 15 15 ASN CA C 13 52.19403447 0.01063665695 . . . . . . . 745 ASN CA . 52372 1
154 . 1 . 1 15 15 ASN CB C 13 38.7462507 0.03294931905 . . . . . . . 745 ASN CB . 52372 1
155 . 1 . 1 15 15 ASN N N 15 112.0843122 0.1166982322 . . . . . . . 745 ASN N . 52372 1
156 . 1 . 1 16 16 ALA H H 1 8.099749894 0.005851733492 . . . . . . . 746 ALA H . 52372 1
157 . 1 . 1 16 16 ALA HA H 1 4.181451809 0.001725354682 . . . . . . . 746 ALA HA . 52372 1
158 . 1 . 1 16 16 ALA HB1 H 1 1.505550594 0.001398529773 . . . . . . . 746 ALA HB# . 52372 1
159 . 1 . 1 16 16 ALA HB2 H 1 1.505550594 0.001398529773 . . . . . . . 746 ALA HB# . 52372 1
160 . 1 . 1 16 16 ALA HB3 H 1 1.505550594 0.001398529773 . . . . . . . 746 ALA HB# . 52372 1
161 . 1 . 1 16 16 ALA CA C 13 55.57707961 0.02950800806 . . . . . . . 746 ALA CA . 52372 1
162 . 1 . 1 16 16 ALA CB C 13 18.82540915 0.02022207686 . . . . . . . 746 ALA CB . 52372 1
163 . 1 . 1 16 16 ALA N N 15 121.5701495 0.06808612843 . . . . . . . 746 ALA N . 52372 1
164 . 1 . 1 17 17 ILE H H 1 7.900397739 0.001722747108 . . . . . . . 747 ILE H . 52372 1
165 . 1 . 1 17 17 ILE HA H 1 3.939473303 0.003810088941 . . . . . . . 747 ILE HA . 52372 1
166 . 1 . 1 17 17 ILE HB H 1 1.883604231 0.003569200011 . . . . . . . 747 ILE HB . 52372 1
167 . 1 . 1 17 17 ILE HG12 H 1 1.215357173 0.002782548549 . . . . . . . 747 ILE HG12 . 52372 1
168 . 1 . 1 17 17 ILE HG13 H 1 1.57908059 0.006462199509 . . . . . . . 747 ILE HG13 . 52372 1
169 . 1 . 1 17 17 ILE HG21 H 1 0.9494275802 0.007021513573 . . . . . . . 747 ILE HG2# . 52372 1
170 . 1 . 1 17 17 ILE HG22 H 1 0.9494275802 0.007021513573 . . . . . . . 747 ILE HG2# . 52372 1
171 . 1 . 1 17 17 ILE HG23 H 1 0.9494275802 0.007021513573 . . . . . . . 747 ILE HG2# . 52372 1
172 . 1 . 1 17 17 ILE HD11 H 1 0.8710103761 0.002459397579 . . . . . . . 747 ILE HD1# . 52372 1
173 . 1 . 1 17 17 ILE HD12 H 1 0.8710103761 0.002459397579 . . . . . . . 747 ILE HD1# . 52372 1
174 . 1 . 1 17 17 ILE HD13 H 1 0.8710103761 0.002459397579 . . . . . . . 747 ILE HD1# . 52372 1
175 . 1 . 1 17 17 ILE CA C 13 64.14370935 0.03902444925 . . . . . . . 747 ILE CA . 52372 1
176 . 1 . 1 17 17 ILE CB C 13 37.58998768 0.0414802244 . . . . . . . 747 ILE CB . 52372 1
177 . 1 . 1 17 17 ILE CG1 C 13 28.65324102 0.07951685653 . . . . . . . 747 ILE CG1 . 52372 1
178 . 1 . 1 17 17 ILE CG2 C 13 17.60718279 0.06603647288 . . . . . . . 747 ILE CG2 . 52372 1
179 . 1 . 1 17 17 ILE CD1 C 13 12.63138897 0.02593433954 . . . . . . . 747 ILE CD1 . 52372 1
180 . 1 . 1 17 17 ILE N N 15 120.6221386 0.01720311268 . . . . . . . 747 ILE N . 52372 1
181 . 1 . 1 18 18 ASP H H 1 8.371824695 0.002185069077 . . . . . . . 748 ASP H . 52372 1
182 . 1 . 1 18 18 ASP HA H 1 4.157015352 0 . . . . . . . 748 ASP HA . 52372 1
183 . 1 . 1 18 18 ASP HB2 H 1 2.800063842 0.00004178 . . . . . . . 748 ASP HB2 . 52372 1
184 . 1 . 1 18 18 ASP HB3 H 1 2.882505108 0.0000564 . . . . . . . 748 ASP HB3 . 52372 1
185 . 1 . 1 18 18 ASP CA C 13 56.42055028 0.007444191154 . . . . . . . 748 ASP CA . 52372 1
186 . 1 . 1 18 18 ASP CB C 13 41.54253824 0.01454655654 . . . . . . . 748 ASP CB . 52372 1
187 . 1 . 1 18 18 ASP N N 15 120.7492051 0.01777375603 . . . . . . . 748 ASP N . 52372 1
188 . 1 . 1 19 19 ALA H H 1 8.542447852 0.004431760281 . . . . . . . 749 ALA H . 52372 1
189 . 1 . 1 19 19 ALA HA H 1 3.866358857 0.00182625277 . . . . . . . 749 ALA HA . 52372 1
190 . 1 . 1 19 19 ALA HB1 H 1 1.532941833 0.001504423301 . . . . . . . 749 ALA HB# . 52372 1
191 . 1 . 1 19 19 ALA HB2 H 1 1.532941833 0.001504423301 . . . . . . . 749 ALA HB# . 52372 1
192 . 1 . 1 19 19 ALA HB3 H 1 1.532941833 0.001504423301 . . . . . . . 749 ALA HB# . 52372 1
193 . 1 . 1 19 19 ALA CA C 13 56.05938739 0.01865092162 . . . . . . . 749 ALA CA . 52372 1
194 . 1 . 1 19 19 ALA CB C 13 17.8479633 0.02274016029 . . . . . . . 749 ALA CB . 52372 1
195 . 1 . 1 19 19 ALA N N 15 120.797564 0.02719668956 . . . . . . . 749 ALA N . 52372 1
196 . 1 . 1 20 20 GLU H H 1 7.765535128 0.000000119 . . . . . . . 750 GLU H . 52372 1
197 . 1 . 1 20 20 GLU HA H 1 4.210662754 0.006591204706 . . . . . . . 750 GLU HA . 52372 1
198 . 1 . 1 20 20 GLU HB2 H 1 2.28066549 0.003471088598 . . . . . . . 750 GLU HB2 . 52372 1
199 . 1 . 1 20 20 GLU HB3 H 1 2.282 . . . . . . . . 750 GLU HB3 . 52372 1
200 . 1 . 1 20 20 GLU HG2 H 1 2.279767032 0.004168639379 . . . . . . . 750 GLU HG2 . 52372 1
201 . 1 . 1 20 20 GLU HG3 H 1 2.496611904 0.002479501688 . . . . . . . 750 GLU HG3 . 52372 1
202 . 1 . 1 20 20 GLU CA C 13 59.55319147 0.02029270371 . . . . . . . 750 GLU CA . 52372 1
203 . 1 . 1 20 20 GLU CB C 13 29.44303187 0.01384901367 . . . . . . . 750 GLU CB . 52372 1
204 . 1 . 1 20 20 GLU CG C 13 36.31080804 0.04236435035 . . . . . . . 750 GLU CG . 52372 1
205 . 1 . 1 20 20 GLU N N 15 119.8082944 0 . . . . . . . 750 GLU N . 52372 1
206 . 1 . 1 21 21 MET H H 1 8.120566631 0.000039967 . . . . . . . 751 MET H . 52372 1
207 . 1 . 1 21 21 MET HA H 1 4.112106218 0.004463987701 . . . . . . . 751 MET HA . 52372 1
208 . 1 . 1 21 21 MET HB2 H 1 2.368004627 0.001320736578 . . . . . . . 751 MET HB2 . 52372 1
209 . 1 . 1 21 21 MET HB3 H 1 2.368322354 0.000130534002 . . . . . . . 751 MET HB3 . 52372 1
210 . 1 . 1 21 21 MET HG2 H 1 2.064961107 0.004917362141 . . . . . . . 751 MET HG2 . 52372 1
211 . 1 . 1 21 21 MET HG3 H 1 2.068801758 0.00003717 . . . . . . . 751 MET HG3 . 52372 1
212 . 1 . 1 21 21 MET HE1 H 1 2.082411644 0 . . . . . . . 751 MET HE# . 52372 1
213 . 1 . 1 21 21 MET HE2 H 1 2.082411644 0 . . . . . . . 751 MET HE# . 52372 1
214 . 1 . 1 21 21 MET HE3 H 1 2.082411644 0 . . . . . . . 751 MET HE# . 52372 1
215 . 1 . 1 21 21 MET CA C 13 58.50150886 0.08441571036 . . . . . . . 751 MET CA . 52372 1
216 . 1 . 1 21 21 MET CB C 13 36.43878844 0.01559949723 . . . . . . . 751 MET CB . 52372 1
217 . 1 . 1 21 21 MET CG C 13 29.91983846 0.03267931387 . . . . . . . 751 MET CG . 52372 1
218 . 1 . 1 21 21 MET CE C 13 16.88098731 0.0000002384 . . . . . . . 751 MET CE . 52372 1
219 . 1 . 1 21 21 MET N N 15 118.1916394 0.00060690263 . . . . . . . 751 MET N . 52372 1
220 . 1 . 1 22 22 HIS H H 1 8.556411146 0 . . . . . . . 752 HIS H . 52372 1
221 . 1 . 1 22 22 HIS HA H 1 4.283399721 0.001389754553 . . . . . . . 752 HIS HA . 52372 1
222 . 1 . 1 22 22 HIS HB2 H 1 2.720695973 0.00392773082 . . . . . . . 752 HIS HB2 . 52372 1
223 . 1 . 1 22 22 HIS HB3 H 1 2.845432821 0.00200094897 . . . . . . . 752 HIS HB3 . 52372 1
224 . 1 . 1 22 22 HIS CA C 13 58.38978661 0.01423260781 . . . . . . . 752 HIS CA . 52372 1
225 . 1 . 1 22 22 HIS CB C 13 32.38226951 0.001780612554 . . . . . . . 752 HIS CB . 52372 1
226 . 1 . 1 22 22 HIS N N 15 121.0411615 0 . . . . . . . 752 HIS N . 52372 1
227 . 1 . 1 23 23 ASP H H 1 8.173714692 0.005359889257 . . . . . . . 753 ASP H . 52372 1
228 . 1 . 1 23 23 ASP HA H 1 4.473770644 0.001665007141 . . . . . . . 753 ASP HA . 52372 1
229 . 1 . 1 23 23 ASP HB2 H 1 2.929891581 0.0003300168805 . . . . . . . 753 ASP HB2 . 52372 1
230 . 1 . 1 23 23 ASP HB3 H 1 2.816915945 0.00165498862 . . . . . . . 753 ASP HB3 . 52372 1
231 . 1 . 1 23 23 ASP CA C 13 57.81020547 0.03764020714 . . . . . . . 753 ASP CA . 52372 1
232 . 1 . 1 23 23 ASP CB C 13 40.87929935 0.01863806164 . . . . . . . 753 ASP CB . 52372 1
233 . 1 . 1 23 23 ASP N N 15 120.8718122 0.03027274645 . . . . . . . 753 ASP N . 52372 1
234 . 1 . 1 24 24 LEU H H 1 8.054753471 0.000822843751 . . . . . . . 754 LEU H . 52372 1
235 . 1 . 1 24 24 LEU HA H 1 4.353681457 0.003550206565 . . . . . . . 754 LEU HA . 52372 1
236 . 1 . 1 24 24 LEU HB2 H 1 1.595675307 0.002873808855 . . . . . . . 754 LEU HB2 . 52372 1
237 . 1 . 1 24 24 LEU HB3 H 1 1.768466939 0.005233790148 . . . . . . . 754 LEU HB3 . 52372 1
238 . 1 . 1 24 24 LEU HG H 1 1.870769436 0.002390162845 . . . . . . . 754 LEU HG . 52372 1
239 . 1 . 1 24 24 LEU HD11 H 1 0.8990514919 0.00283094433 . . . . . . . 754 LEU HD1# . 52372 1
240 . 1 . 1 24 24 LEU HD12 H 1 0.8990514919 0.00283094433 . . . . . . . 754 LEU HD1# . 52372 1
241 . 1 . 1 24 24 LEU HD13 H 1 0.8990514919 0.00283094433 . . . . . . . 754 LEU HD1# . 52372 1
242 . 1 . 1 24 24 LEU HD21 H 1 0.9073638369 0.004656584926 . . . . . . . 754 LEU HD2# . 52372 1
243 . 1 . 1 24 24 LEU HD22 H 1 0.9073638369 0.004656584926 . . . . . . . 754 LEU HD2# . 52372 1
244 . 1 . 1 24 24 LEU HD23 H 1 0.9073638369 0.004656584926 . . . . . . . 754 LEU HD2# . 52372 1
245 . 1 . 1 24 24 LEU CA C 13 56.41741094 0.03185710093 . . . . . . . 754 LEU CA . 52372 1
246 . 1 . 1 24 24 LEU CB C 13 43.91438788 0.01987036534 . . . . . . . 754 LEU CB . 52372 1
247 . 1 . 1 24 24 LEU CG C 13 26.83653537 0.02820154834 . . . . . . . 754 LEU CG . 52372 1
248 . 1 . 1 24 24 LEU CD1 C 13 25.20059042 0.07883239136 . . . . . . . 754 LEU CD1 . 52372 1
249 . 1 . 1 24 24 LEU CD2 C 13 23.0041515 0.0347327254 . . . . . . . 754 LEU CD2 . 52372 1
250 . 1 . 1 24 24 LEU N N 15 116.5452195 0.01549399428 . . . . . . . 754 LEU N . 52372 1
251 . 1 . 1 25 25 ASN H H 1 7.611999323 0 . . . . . . . 755 ASN H . 52372 1
252 . 1 . 1 25 25 ASN HA H 1 4.995134173 0.002032765037 . . . . . . . 755 ASN HA . 52372 1
253 . 1 . 1 25 25 ASN HB2 H 1 2.471435932 0.002006898369 . . . . . . . 755 ASN HB2 . 52372 1
254 . 1 . 1 25 25 ASN HB3 H 1 2.765545063 0.002921553601 . . . . . . . 755 ASN HB3 . 52372 1
255 . 1 . 1 25 25 ASN CA C 13 56.94970169 0.01156938982 . . . . . . . 755 ASN CA . 52372 1
256 . 1 . 1 25 25 ASN CB C 13 41.13126159 0.0116118383 . . . . . . . 755 ASN CB . 52372 1
257 . 1 . 1 25 25 ASN N N 15 114.777923 0 . . . . . . . 755 ASN N . 52372 1
258 . 1 . 1 26 26 CYS H H 1 9.081936718 0 . . . . . . . 756 CYS H . 52372 1
259 . 1 . 1 26 26 CYS HA H 1 4.087722203 0.002206899305 . . . . . . . 756 CYS HA . 52372 1
260 . 1 . 1 26 26 CYS HB2 H 1 2.799627329 0.002961904566 . . . . . . . 756 CYS HB2 . 52372 1
261 . 1 . 1 26 26 CYS HB3 H 1 2.935085686 0.002842300813 . . . . . . . 756 CYS HB3 . 52372 1
262 . 1 . 1 26 26 CYS CA C 13 66.21484293 0.01286357368 . . . . . . . 756 CYS CA . 52372 1
263 . 1 . 1 26 26 CYS CB C 13 28.07128356 0.04587557081 . . . . . . . 756 CYS CB . 52372 1
264 . 1 . 1 26 26 CYS N N 15 124.5896615 0 . . . . . . . 756 CYS N . 52372 1
265 . 1 . 1 27 27 SER H H 1 8.211652836 0.01150396612 . . . . . . . 757 SER H . 52372 1
266 . 1 . 1 27 27 SER HA H 1 3.920095887 0.001658163126 . . . . . . . 757 SER HA . 52372 1
267 . 1 . 1 27 27 SER HB2 H 1 3.525357677 0.006573221609 . . . . . . . 757 SER HB2 . 52372 1
268 . 1 . 1 27 27 SER HB3 H 1 3.544218318 0.004831184007 . . . . . . . 757 SER HB3 . 52372 1
269 . 1 . 1 27 27 SER CA C 13 60.80960206 0.03035271018 . . . . . . . 757 SER CA . 52372 1
270 . 1 . 1 27 27 SER CB C 13 62.4936888 0.08561832158 . . . . . . . 757 SER CB . 52372 1
271 . 1 . 1 27 27 SER N N 15 112.2337483 0.03154066263 . . . . . . . 757 SER N . 52372 1
272 . 1 . 1 28 28 TYR H H 1 7.628141793 0.000000084 . . . . . . . 758 TYR H . 52372 1
273 . 1 . 1 28 28 TYR HA H 1 4.560116131 0.000351549736 . . . . . . . 758 TYR HA . 52372 1
274 . 1 . 1 28 28 TYR HB2 H 1 2.757568892 0 . . . . . . . 758 TYR HB2 . 52372 1
275 . 1 . 1 28 28 TYR HB3 H 1 2.682308021 0.001647009957 . . . . . . . 758 TYR HB3 . 52372 1
276 . 1 . 1 28 28 TYR CA C 13 57.29332476 0.004346581698 . . . . . . . 758 TYR CA . 52372 1
277 . 1 . 1 28 28 TYR CB C 13 38.60240554 0.03086642962 . . . . . . . 758 TYR CB . 52372 1
278 . 1 . 1 28 28 TYR N N 15 119.6271485 0 . . . . . . . 758 TYR N . 52372 1
279 . 1 . 1 29 29 ASN H H 1 8.243575086 0.002392552935 . . . . . . . 759 ASN H . 52372 1
280 . 1 . 1 29 29 ASN HA H 1 4.150697565 0.001336932792 . . . . . . . 759 ASN HA . 52372 1
281 . 1 . 1 29 29 ASN HB2 H 1 2.885696075 0.002363703424 . . . . . . . 759 ASN HB2 . 52372 1
282 . 1 . 1 29 29 ASN HB3 H 1 3.068356698 0.004730233468 . . . . . . . 759 ASN HB3 . 52372 1
283 . 1 . 1 29 29 ASN CA C 13 54.99938023 0.03423116508 . . . . . . . 759 ASN CA . 52372 1
284 . 1 . 1 29 29 ASN CB C 13 36.83771092 0.01919575794 . . . . . . . 759 ASN CB . 52372 1
285 . 1 . 1 29 29 ASN N N 15 114.2801084 0.01537475862 . . . . . . . 759 ASN N . 52372 1
286 . 1 . 1 30 30 ILE H H 1 7.423153079 0.001481641899 . . . . . . . 760 ILE H . 52372 1
287 . 1 . 1 30 30 ILE HA H 1 4.520245832 0.003226497319 . . . . . . . 760 ILE HA . 52372 1
288 . 1 . 1 30 30 ILE HB H 1 1.568897505 0.007536842676 . . . . . . . 760 ILE HB . 52372 1
289 . 1 . 1 30 30 ILE HG12 H 1 0.6642229286 0.003157493196 . . . . . . . 760 ILE HG12 . 52372 1
290 . 1 . 1 30 30 ILE HG13 H 1 1.580107053 0.003793620305 . . . . . . . 760 ILE HG13 . 52372 1
291 . 1 . 1 30 30 ILE HG21 H 1 0.5354725617 0.00160240734 . . . . . . . 760 ILE HG2# . 52372 1
292 . 1 . 1 30 30 ILE HG22 H 1 0.5354725617 0.00160240734 . . . . . . . 760 ILE HG2# . 52372 1
293 . 1 . 1 30 30 ILE HG23 H 1 0.5354725617 0.00160240734 . . . . . . . 760 ILE HG2# . 52372 1
294 . 1 . 1 30 30 ILE HD11 H 1 0.8018083706 0.001981108824 . . . . . . . 760 ILE HD1# . 52372 1
295 . 1 . 1 30 30 ILE HD12 H 1 0.8018083706 0.001981108824 . . . . . . . 760 ILE HD1# . 52372 1
296 . 1 . 1 30 30 ILE HD13 H 1 0.8018083706 0.001981108824 . . . . . . . 760 ILE HD1# . 52372 1
297 . 1 . 1 30 30 ILE CA C 13 58.8025353 0.01555553648 . . . . . . . 760 ILE CA . 52372 1
298 . 1 . 1 30 30 ILE CB C 13 40.25546126 0.03735112101 . . . . . . . 760 ILE CB . 52372 1
299 . 1 . 1 30 30 ILE CG1 C 13 27.69635458 0.04238097456 . . . . . . . 760 ILE CG1 . 52372 1
300 . 1 . 1 30 30 ILE CG2 C 13 17.12781026 0.03361540938 . . . . . . . 760 ILE CG2 . 52372 1
301 . 1 . 1 30 30 ILE CD1 C 13 13.37080749 0.02449636172 . . . . . . . 760 ILE CD1 . 52372 1
302 . 1 . 1 30 30 ILE N N 15 119.2958196 0.02391353754 . . . . . . . 760 ILE N . 52372 1
303 . 1 . 1 31 31 CYS H H 1 8.192675787 0.000000119 . . . . . . . 761 CYS H . 52372 1
304 . 1 . 1 31 31 CYS HA H 1 4.388726195 0.004763262054 . . . . . . . 761 CYS HA . 52372 1
305 . 1 . 1 31 31 CYS HB2 H 1 2.491719843 0.0008685036954 . . . . . . . 761 CYS HB2 . 52372 1
306 . 1 . 1 31 31 CYS HB3 H 1 3.095657567 0.01363572128 . . . . . . . 761 CYS HB3 . 52372 1
307 . 1 . 1 31 31 CYS CA C 13 56.86829877 0.01289036843 . . . . . . . 761 CYS CA . 52372 1
308 . 1 . 1 31 31 CYS CB C 13 31.2450978 0.03885564793 . . . . . . . 761 CYS CB . 52372 1
309 . 1 . 1 31 31 CYS N N 15 125.3639873 0 . . . . . . . 761 CYS N . 52372 1
310 . 1 . 1 32 32 PRO HA H 1 3.946787445 0.003379253963 . . . . . . . 762 PRO HA . 52372 1
311 . 1 . 1 32 32 PRO HB2 H 1 1.566930439 0.0000766 . . . . . . . 762 PRO HB2 . 52372 1
312 . 1 . 1 32 32 PRO HB3 H 1 0.8747613304 . . . . . . . . 762 PRO HB3 . 52372 1
313 . 1 . 1 32 32 PRO HG2 H 1 0.4756412872 . . . . . . . . 762 PRO HG2 . 52372 1
314 . 1 . 1 32 32 PRO HD2 H 1 4.322632683 0 . . . . . . . 762 PRO HD2 . 52372 1
315 . 1 . 1 32 32 PRO HD3 H 1 3.870153749 0 . . . . . . . 762 PRO HD3 . 52372 1
316 . 1 . 1 32 32 PRO CA C 13 63.81247089 0.09363954602 . . . . . . . 762 PRO CA . 52372 1
317 . 1 . 1 32 32 PRO CB C 13 32.00491929 0.0000846 . . . . . . . 762 PRO CB . 52372 1
318 . 1 . 1 32 32 PRO CG C 13 25.18665104 . . . . . . . . 762 PRO CG . 52372 1
319 . 1 . 1 32 32 PRO CD C 13 51.49825691 0.0000467 . . . . . . . 762 PRO CD . 52372 1
320 . 1 . 1 33 33 TYR H H 1 9.27912028 0.004779743094 . . . . . . . 763 TYR H . 52372 1
321 . 1 . 1 33 33 TYR HA H 1 4.570851229 0.004052667514 . . . . . . . 763 TYR HA . 52372 1
322 . 1 . 1 33 33 TYR HB2 H 1 2.663357048 0.001695025703 . . . . . . . 763 TYR HB2 . 52372 1
323 . 1 . 1 33 33 TYR HB3 H 1 3.388943684 0.0006558567857 . . . . . . . 763 TYR HB3 . 52372 1
324 . 1 . 1 33 33 TYR CA C 13 59.57666703 0.006280549338 . . . . . . . 763 TYR CA . 52372 1
325 . 1 . 1 33 33 TYR CB C 13 39.3258049 0.07719818266 . . . . . . . 763 TYR CB . 52372 1
326 . 1 . 1 33 33 TYR N N 15 119.9484444 0.01655436402 . . . . . . . 763 TYR N . 52372 1
327 . 1 . 1 34 34 CYS H H 1 8.584375635 0.001084697005 . . . . . . . 764 CYS H . 52372 1
328 . 1 . 1 34 34 CYS HA H 1 5.006159184 0.0009581949167 . . . . . . . 764 CYS HA . 52372 1
329 . 1 . 1 34 34 CYS HB2 H 1 2.345181789 0.0008149813891 . . . . . . . 764 CYS HB2 . 52372 1
330 . 1 . 1 34 34 CYS HB3 H 1 3.394772981 0.003568327568 . . . . . . . 764 CYS HB3 . 52372 1
331 . 1 . 1 34 34 CYS CA C 13 58.1098625 0.01284053626 . . . . . . . 764 CYS CA . 52372 1
332 . 1 . 1 34 34 CYS CB C 13 32.56076653 0.06689812245 . . . . . . . 764 CYS CB . 52372 1
333 . 1 . 1 34 34 CYS N N 15 117.5712295 0.04628283071 . . . . . . . 764 CYS N . 52372 1
334 . 1 . 1 35 35 ALA H H 1 7.852894091 0.003236151571 . . . . . . . 765 ALA H . 52372 1
335 . 1 . 1 35 35 ALA HA H 1 4.082991419 0.003698435125 . . . . . . . 765 ALA HA . 52372 1
336 . 1 . 1 35 35 ALA HB1 H 1 1.422062606 0.001711891248 . . . . . . . 765 ALA HB# . 52372 1
337 . 1 . 1 35 35 ALA HB2 H 1 1.422062606 0.001711891248 . . . . . . . 765 ALA HB# . 52372 1
338 . 1 . 1 35 35 ALA HB3 H 1 1.422062606 0.001711891248 . . . . . . . 765 ALA HB# . 52372 1
339 . 1 . 1 35 35 ALA CA C 13 54.05561808 0.02562285923 . . . . . . . 765 ALA CA . 52372 1
340 . 1 . 1 35 35 ALA CB C 13 16.83624128 0.05029021405 . . . . . . . 765 ALA CB . 52372 1
341 . 1 . 1 35 35 ALA N N 15 122.5185169 0.02548480474 . . . . . . . 765 ALA N . 52372 1
342 . 1 . 1 36 36 SER H H 1 8.181856686 0.0000067 . . . . . . . 766 SER H . 52372 1
343 . 1 . 1 36 36 SER HA H 1 4.25144282 0.001154442759 . . . . . . . 766 SER HA . 52372 1
344 . 1 . 1 36 36 SER HB2 H 1 3.428472693 0.007164817007 . . . . . . . 766 SER HB2 . 52372 1
345 . 1 . 1 36 36 SER HB3 H 1 3.448036488 0.006964197574 . . . . . . . 766 SER HB3 . 52372 1
346 . 1 . 1 36 36 SER CA C 13 60.58746013 0.01802506162 . . . . . . . 766 SER CA . 52372 1
347 . 1 . 1 36 36 SER CB C 13 63.44572531 0.02329056376 . . . . . . . 766 SER CB . 52372 1
348 . 1 . 1 36 36 SER N N 15 117.101541 0.0002625498475 . . . . . . . 766 SER N . 52372 1
349 . 1 . 1 37 37 ARG H H 1 8.472287281 . . . . . . . . 767 ARG H . 52372 1
350 . 1 . 1 37 37 ARG HA H 1 4.534279584 0.001820452977 . . . . . . . 767 ARG HA . 52372 1
351 . 1 . 1 37 37 ARG HB2 H 1 1.856965507 0.004115772768 . . . . . . . 767 ARG HB2 . 52372 1
352 . 1 . 1 37 37 ARG HB3 H 1 1.724970624 0 . . . . . . . 767 ARG HB3 . 52372 1
353 . 1 . 1 37 37 ARG HG2 H 1 1.591613744 0.004390526295 . . . . . . . 767 ARG HG2 . 52372 1
354 . 1 . 1 37 37 ARG HG3 H 1 1.69927826 0.00937537215 . . . . . . . 767 ARG HG3 . 52372 1
355 . 1 . 1 37 37 ARG HD2 H 1 3.210767787 0.002638310824 . . . . . . . 767 ARG HD2 . 52372 1
356 . 1 . 1 37 37 ARG HD3 H 1 3.210926538 0.002743424759 . . . . . . . 767 ARG HD3 . 52372 1
357 . 1 . 1 37 37 ARG CA C 13 56.24264923 0.01616137999 . . . . . . . 767 ARG CA . 52372 1
358 . 1 . 1 37 37 ARG CB C 13 30.07206013 0.08303040998 . . . . . . . 767 ARG CB . 52372 1
359 . 1 . 1 37 37 ARG CG C 13 27.91585293 0.08141265952 . . . . . . . 767 ARG CG . 52372 1
360 . 1 . 1 37 37 ARG CD C 13 43.34507565 0.0333513507 . . . . . . . 767 ARG CD . 52372 1
361 . 1 . 1 37 37 ARG N N 15 123.9700272 . . . . . . . . 767 ARG N . 52372 1
362 . 1 . 1 38 38 LEU H H 1 8.60393313 0.001317103779 . . . . . . . 768 LEU H . 52372 1
363 . 1 . 1 38 38 LEU HA H 1 4.73162989 0.0008918832489 . . . . . . . 768 LEU HA . 52372 1
364 . 1 . 1 38 38 LEU HB2 H 1 1.453103728 0.003466863106 . . . . . . . 768 LEU HB2 . 52372 1
365 . 1 . 1 38 38 LEU HB3 H 1 1.643106716 0.005752492701 . . . . . . . 768 LEU HB3 . 52372 1
366 . 1 . 1 38 38 LEU HG H 1 1.384423006 0.003388048075 . . . . . . . 768 LEU HG . 52372 1
367 . 1 . 1 38 38 LEU HD11 H 1 0.4461649281 0.003196454608 . . . . . . . 768 LEU HD1# . 52372 1
368 . 1 . 1 38 38 LEU HD12 H 1 0.4461649281 0.003196454608 . . . . . . . 768 LEU HD1# . 52372 1
369 . 1 . 1 38 38 LEU HD13 H 1 0.4461649281 0.003196454608 . . . . . . . 768 LEU HD1# . 52372 1
370 . 1 . 1 38 38 LEU HD21 H 1 0.5520186378 0.002255039317 . . . . . . . 768 LEU HD2# . 52372 1
371 . 1 . 1 38 38 LEU HD22 H 1 0.5520186378 0.002255039317 . . . . . . . 768 LEU HD2# . 52372 1
372 . 1 . 1 38 38 LEU HD23 H 1 0.5520186378 0.002255039317 . . . . . . . 768 LEU HD2# . 52372 1
373 . 1 . 1 38 38 LEU CA C 13 52.85656445 0.02367791202 . . . . . . . 768 LEU CA . 52372 1
374 . 1 . 1 38 38 LEU CB C 13 43.59401223 0.05383017254 . . . . . . . 768 LEU CB . 52372 1
375 . 1 . 1 38 38 LEU CG C 13 27.71978219 0.02859467335 . . . . . . . 768 LEU CG . 52372 1
376 . 1 . 1 38 38 LEU CD1 C 13 23.61526938 0.02779751413 . . . . . . . 768 LEU CD1 . 52372 1
377 . 1 . 1 38 38 LEU CD2 C 13 25.34245376 0.03825786007 . . . . . . . 768 LEU CD2 . 52372 1
378 . 1 . 1 38 38 LEU N N 15 129.4618788 0.09784807522 . . . . . . . 768 LEU N . 52372 1
379 . 1 . 1 39 39 THR H H 1 7.566063562 0.00363467345 . . . . . . . 769 THR H . 52372 1
380 . 1 . 1 39 39 THR HA H 1 4.545904998 0.002090869283 . . . . . . . 769 THR HA . 52372 1
381 . 1 . 1 39 39 THR HB H 1 4.550710396 0.002252736293 . . . . . . . 769 THR HB . 52372 1
382 . 1 . 1 39 39 THR HG21 H 1 1.262584315 0.001004188218 . . . . . . . 769 THR HG2# . 52372 1
383 . 1 . 1 39 39 THR HG22 H 1 1.262584315 0.001004188218 . . . . . . . 769 THR HG2# . 52372 1
384 . 1 . 1 39 39 THR HG23 H 1 1.262584315 0.001004188218 . . . . . . . 769 THR HG2# . 52372 1
385 . 1 . 1 39 39 THR CA C 13 60.34983244 0.02107074391 . . . . . . . 769 THR CA . 52372 1
386 . 1 . 1 39 39 THR CB C 13 71.08175041 0.03755154949 . . . . . . . 769 THR CB . 52372 1
387 . 1 . 1 39 39 THR CG2 C 13 22.0648959 0.01379885444 . . . . . . . 769 THR CG2 . 52372 1
388 . 1 . 1 39 39 THR N N 15 108.5721555 0.01311699595 . . . . . . . 769 THR N . 52372 1
389 . 1 . 1 40 40 SER H H 1 8.961110507 0.000000119 . . . . . . . 770 SER H . 52372 1
390 . 1 . 1 40 40 SER HA H 1 4.158483388 0.001335101056 . . . . . . . 770 SER HA . 52372 1
391 . 1 . 1 40 40 SER HB2 H 1 3.971078555 0.001441944675 . . . . . . . 770 SER HB2 . 52372 1
392 . 1 . 1 40 40 SER HB3 H 1 3.97107859 0.001441890541 . . . . . . . 770 SER HB3 . 52372 1
393 . 1 . 1 40 40 SER CA C 13 61.48033502 0.03307426647 . . . . . . . 770 SER CA . 52372 1
394 . 1 . 1 40 40 SER CB C 13 62.70761223 0.05816295715 . . . . . . . 770 SER CB . 52372 1
395 . 1 . 1 40 40 SER N N 15 117.2984784 0 . . . . . . . 770 SER N . 52372 1
396 . 1 . 1 41 41 ASP H H 1 8.431753947 0.003994721222 . . . . . . . 771 ASP H . 52372 1
397 . 1 . 1 41 41 ASP HA H 1 4.591822695 0.003090384828 . . . . . . . 771 ASP HA . 52372 1
398 . 1 . 1 41 41 ASP HB2 H 1 2.67506586 0.003916480775 . . . . . . . 771 ASP HB2 . 52372 1
399 . 1 . 1 41 41 ASP HB3 H 1 2.695836832 0.005437563572 . . . . . . . 771 ASP HB3 . 52372 1
400 . 1 . 1 41 41 ASP CA C 13 55.18728903 0.01736383474 . . . . . . . 771 ASP CA . 52372 1
401 . 1 . 1 41 41 ASP CB C 13 40.53985859 0.03914494685 . . . . . . . 771 ASP CB . 52372 1
402 . 1 . 1 41 41 ASP N N 15 118.2139345 0.02768341069 . . . . . . . 771 ASP N . 52372 1
403 . 1 . 1 42 42 GLY H H 1 7.833528966 0.001227602368 . . . . . . . 772 GLY H . 52372 1
404 . 1 . 1 42 42 GLY HA2 H 1 3.744125347 0.001353785604 . . . . . . . 772 GLY HA2 . 52372 1
405 . 1 . 1 42 42 GLY HA3 H 1 3.88480227 0.0009820670481 . . . . . . . 772 GLY HA3 . 52372 1
406 . 1 . 1 42 42 GLY CA C 13 45.41098896 0.04807487767 . . . . . . . 772 GLY CA . 52372 1
407 . 1 . 1 42 42 GLY N N 15 106.646608 0.08164259712 . . . . . . . 772 GLY N . 52372 1
408 . 1 . 1 43 43 LEU H H 1 7.891627243 0.003553229234 . . . . . . . 773 LEU H . 52372 1
409 . 1 . 1 43 43 LEU HA H 1 4.046337827 0.002987025972 . . . . . . . 773 LEU HA . 52372 1
410 . 1 . 1 43 43 LEU HB2 H 1 1.8672009 0.004118625075 . . . . . . . 773 LEU HB2 . 52372 1
411 . 1 . 1 43 43 LEU HB3 H 1 1.862187056 0.00000236 . . . . . . . 773 LEU HB3 . 52372 1
412 . 1 . 1 43 43 LEU HG H 1 1.643136036 0.002971326189 . . . . . . . 773 LEU HG . 52372 1
413 . 1 . 1 43 43 LEU HD11 H 1 0.842892786 0.003483855277 . . . . . . . 773 LEU HD1# . 52372 1
414 . 1 . 1 43 43 LEU HD12 H 1 0.842892786 0.003483855277 . . . . . . . 773 LEU HD1# . 52372 1
415 . 1 . 1 43 43 LEU HD13 H 1 0.842892786 0.003483855277 . . . . . . . 773 LEU HD1# . 52372 1
416 . 1 . 1 43 43 LEU HD21 H 1 1.052432659 0.001267761552 . . . . . . . 773 LEU HD2# . 52372 1
417 . 1 . 1 43 43 LEU HD22 H 1 1.052432659 0.001267761552 . . . . . . . 773 LEU HD2# . 52372 1
418 . 1 . 1 43 43 LEU HD23 H 1 1.052432659 0.001267761552 . . . . . . . 773 LEU HD2# . 52372 1
419 . 1 . 1 43 43 LEU CA C 13 59.40490088 0.02320313244 . . . . . . . 773 LEU CA . 52372 1
420 . 1 . 1 43 43 LEU CB C 13 42.02259268 0.02833044433 . . . . . . . 773 LEU CB . 52372 1
421 . 1 . 1 43 43 LEU CG C 13 27.33914121 0.04547564219 . . . . . . . 773 LEU CG . 52372 1
422 . 1 . 1 43 43 LEU CD1 C 13 24.30536458 0.09375942923 . . . . . . . 773 LEU CD1 . 52372 1
423 . 1 . 1 43 43 LEU CD2 C 13 26.216694 0.0482459893 . . . . . . . 773 LEU CD2 . 52372 1
424 . 1 . 1 43 43 LEU N N 15 123.9217034 0.01263635606 . . . . . . . 773 LEU N . 52372 1
425 . 1 . 1 44 44 ALA H H 1 8.700223918 0.000000119 . . . . . . . 774 ALA H . 52372 1
426 . 1 . 1 44 44 ALA HA H 1 4.171243528 0.001031545041 . . . . . . . 774 ALA HA . 52372 1
427 . 1 . 1 44 44 ALA HB1 H 1 1.473877959 0 . . . . . . . 774 ALA HB# . 52372 1
428 . 1 . 1 44 44 ALA HB2 H 1 1.473877959 0 . . . . . . . 774 ALA HB# . 52372 1
429 . 1 . 1 44 44 ALA HB3 H 1 1.473877959 0 . . . . . . . 774 ALA HB# . 52372 1
430 . 1 . 1 44 44 ALA CA C 13 56.54157699 0.004058811225 . . . . . . . 774 ALA CA . 52372 1
431 . 1 . 1 44 44 ALA CB C 13 18.02435693 0 . . . . . . . 774 ALA CB . 52372 1
432 . 1 . 1 44 44 ALA N N 15 121.1288904 0.0000013 . . . . . . . 774 ALA N . 52372 1
433 . 1 . 1 45 45 ARG H H 1 8.086704939 0.0103286092 . . . . . . . 775 ARG H . 52372 1
434 . 1 . 1 45 45 ARG HA H 1 4.096505962 0.002061334575 . . . . . . . 775 ARG HA . 52372 1
435 . 1 . 1 45 45 ARG HB3 H 1 1.832818935 0.004589828705 . . . . . . . 775 ARG HB3 . 52372 1
436 . 1 . 1 45 45 ARG HG2 H 1 1.662683376 0.005616326268 . . . . . . . 775 ARG HG2 . 52372 1
437 . 1 . 1 45 45 ARG HG3 H 1 1.742584661 0.004645278813 . . . . . . . 775 ARG HG3 . 52372 1
438 . 1 . 1 45 45 ARG HD2 H 1 3.234664412 0.005941905819 . . . . . . . 775 ARG HD2 . 52372 1
439 . 1 . 1 45 45 ARG HD3 H 1 3.236870339 0.006677629647 . . . . . . . 775 ARG HD3 . 52372 1
440 . 1 . 1 45 45 ARG CA C 13 58.07858347 0.02501504323 . . . . . . . 775 ARG CA . 52372 1
441 . 1 . 1 45 45 ARG CB C 13 30.17696105 0.08098997317 . . . . . . . 775 ARG CB . 52372 1
442 . 1 . 1 45 45 ARG CG C 13 27.58861192 0.05672641319 . . . . . . . 775 ARG CG . 52372 1
443 . 1 . 1 45 45 ARG CD C 13 43.32356938 0.0211029726 . . . . . . . 775 ARG CD . 52372 1
444 . 1 . 1 45 45 ARG N N 15 115.4233117 0.01499645746 . . . . . . . 775 ARG N . 52372 1
445 . 1 . 1 46 46 HIS H H 1 7.861656297 0.0008587311484 . . . . . . . 776 HIS H . 52372 1
446 . 1 . 1 46 46 HIS HA H 1 4.338816 0.002648779968 . . . . . . . 776 HIS HA . 52372 1
447 . 1 . 1 46 46 HIS HB2 H 1 3.49034094 0.003060958435 . . . . . . . 776 HIS HB2 . 52372 1
448 . 1 . 1 46 46 HIS HB3 H 1 3.490859172 0.002426289052 . . . . . . . 776 HIS HB3 . 52372 1
449 . 1 . 1 46 46 HIS CA C 13 59.66479004 0.02643631334 . . . . . . . 776 HIS CA . 52372 1
450 . 1 . 1 46 46 HIS CB C 13 29.35085132 0.01221112548 . . . . . . . 776 HIS CB . 52372 1
451 . 1 . 1 46 46 HIS N N 15 116.1646939 0.05284318829 . . . . . . . 776 HIS N . 52372 1
452 . 1 . 1 47 47 VAL H H 1 8.815551884 0.002741835568 . . . . . . . 777 VAL H . 52372 1
453 . 1 . 1 47 47 VAL HA H 1 3.57855041 0.001751404153 . . . . . . . 777 VAL HA . 52372 1
454 . 1 . 1 47 47 VAL HB H 1 2.265441169 0.004864080427 . . . . . . . 777 VAL HB . 52372 1
455 . 1 . 1 47 47 VAL HG11 H 1 1.370551855 0.002004946967 . . . . . . . 777 VAL HG1# . 52372 1
456 . 1 . 1 47 47 VAL HG12 H 1 1.370551855 0.002004946967 . . . . . . . 777 VAL HG1# . 52372 1
457 . 1 . 1 47 47 VAL HG13 H 1 1.370551855 0.002004946967 . . . . . . . 777 VAL HG1# . 52372 1
458 . 1 . 1 47 47 VAL HG21 H 1 1.596152984 0.001933679856 . . . . . . . 777 VAL HG2# . 52372 1
459 . 1 . 1 47 47 VAL HG22 H 1 1.596152984 0.001933679856 . . . . . . . 777 VAL HG2# . 52372 1
460 . 1 . 1 47 47 VAL HG23 H 1 1.596152984 0.001933679856 . . . . . . . 777 VAL HG2# . 52372 1
461 . 1 . 1 47 47 VAL CA C 13 68.09628943 0.03343918717 . . . . . . . 777 VAL CA . 52372 1
462 . 1 . 1 47 47 VAL CB C 13 32.40529533 0.04226922665 . . . . . . . 777 VAL CB . 52372 1
463 . 1 . 1 47 47 VAL CG1 C 13 23.51306354 0.02766359755 . . . . . . . 777 VAL CG1 . 52372 1
464 . 1 . 1 47 47 VAL CG2 C 13 23.56206049 0.05852098733 . . . . . . . 777 VAL CG2 . 52372 1
465 . 1 . 1 47 47 VAL N N 15 118.9037969 0.01767168431 . . . . . . . 777 VAL N . 52372 1
466 . 1 . 1 48 48 ILE H H 1 7.573665434 0 . . . . . . . 778 ILE H . 52372 1
467 . 1 . 1 48 48 ILE HA H 1 3.865484185 0.002788075267 . . . . . . . 778 ILE HA . 52372 1
468 . 1 . 1 48 48 ILE HB H 1 1.93037689 0 . . . . . . . 778 ILE HB . 52372 1
469 . 1 . 1 48 48 ILE HG12 H 1 1.2744095 0 . . . . . . . 778 ILE HG12 . 52372 1
470 . 1 . 1 48 48 ILE HG13 H 1 1.552097052 0.00000164 . . . . . . . 778 ILE HG13 . 52372 1
471 . 1 . 1 48 48 ILE HG21 H 1 0.925093214 0.01195719535 . . . . . . . 778 ILE HG2# . 52372 1
472 . 1 . 1 48 48 ILE HG22 H 1 0.925093214 0.01195719535 . . . . . . . 778 ILE HG2# . 52372 1
473 . 1 . 1 48 48 ILE HG23 H 1 0.925093214 0.01195719535 . . . . . . . 778 ILE HG2# . 52372 1
474 . 1 . 1 48 48 ILE HD11 H 1 0.913168764 0.0008603541661 . . . . . . . 778 ILE HD1# . 52372 1
475 . 1 . 1 48 48 ILE HD12 H 1 0.913168764 0.0008603541661 . . . . . . . 778 ILE HD1# . 52372 1
476 . 1 . 1 48 48 ILE HD13 H 1 0.913168764 0.0008603541661 . . . . . . . 778 ILE HD1# . 52372 1
477 . 1 . 1 48 48 ILE CA C 13 63.45440523 0.03018051136 . . . . . . . 778 ILE CA . 52372 1
478 . 1 . 1 48 48 ILE CB C 13 38.14297809 0.006283515858 . . . . . . . 778 ILE CB . 52372 1
479 . 1 . 1 48 48 ILE CG1 C 13 29.16314286 0.004773467381 . . . . . . . 778 ILE CG1 . 52372 1
480 . 1 . 1 48 48 ILE CG2 C 13 17.41035232 0.01329112208 . . . . . . . 778 ILE CG2 . 52372 1
481 . 1 . 1 48 48 ILE CD1 C 13 13.87012886 0.01181820357 . . . . . . . 778 ILE CD1 . 52372 1
482 . 1 . 1 48 48 ILE N N 15 114.6795705 0.0000013 . . . . . . . 778 ILE N . 52372 1
483 . 1 . 1 49 49 GLN H H 1 6.980454048 0.000000084 . . . . . . . 779 GLN H . 52372 1
484 . 1 . 1 49 49 GLN HA H 1 4.555478688 0.002303304 . . . . . . . 779 GLN HA . 52372 1
485 . 1 . 1 49 49 GLN HB2 H 1 2.077836982 0.003553998651 . . . . . . . 779 GLN HB2 . 52372 1
486 . 1 . 1 49 49 GLN HB3 H 1 2.071801758 0.0000059 . . . . . . . 779 GLN HB3 . 52372 1
487 . 1 . 1 49 49 GLN HG2 H 1 2.306850968 0.002736897802 . . . . . . . 779 GLN HG2 . 52372 1
488 . 1 . 1 49 49 GLN HG3 H 1 2.436724449 0.003872017511 . . . . . . . 779 GLN HG3 . 52372 1
489 . 1 . 1 49 49 GLN CA C 13 54.05502973 0.03660363213 . . . . . . . 779 GLN CA . 52372 1
490 . 1 . 1 49 49 GLN CB C 13 29.92545784 0.04073908289 . . . . . . . 779 GLN CB . 52372 1
491 . 1 . 1 49 49 GLN CG C 13 33.50821663 0.07493599633 . . . . . . . 779 GLN CG . 52372 1
492 . 1 . 1 49 49 GLN N N 15 116.2031467 0.0000013 . . . . . . . 779 GLN N . 52372 1
493 . 1 . 1 50 50 CYS H H 1 7.356688657 0.001949248002 . . . . . . . 780 CYS H . 52372 1
494 . 1 . 1 50 50 CYS HA H 1 3.961995188 0.001500964203 . . . . . . . 780 CYS HA . 52372 1
495 . 1 . 1 50 50 CYS HB2 H 1 2.688462098 0.0004412832019 . . . . . . . 780 CYS HB2 . 52372 1
496 . 1 . 1 50 50 CYS HB3 H 1 2.853609026 0.006471021896 . . . . . . . 780 CYS HB3 . 52372 1
497 . 1 . 1 50 50 CYS CA C 13 58.59351283 0.0285880463 . . . . . . . 780 CYS CA . 52372 1
498 . 1 . 1 50 50 CYS CB C 13 28.4480111 0.04413289293 . . . . . . . 780 CYS CB . 52372 1
499 . 1 . 1 50 50 CYS N N 15 127.3146537 0.03333681813 . . . . . . . 780 CYS N . 52372 1
500 . 1 . 1 51 51 PRO HA H 1 4.361623428 0.003956346813 . . . . . . . 781 PRO HA . 52372 1
501 . 1 . 1 51 51 PRO HB2 H 1 2.050402766 0.004985386231 . . . . . . . 781 PRO HB2 . 52372 1
502 . 1 . 1 51 51 PRO HB3 H 1 2.445392083 0.003031590677 . . . . . . . 781 PRO HB3 . 52372 1
503 . 1 . 1 51 51 PRO HG2 H 1 2.111492087 0.001033829107 . . . . . . . 781 PRO HG2 . 52372 1
504 . 1 . 1 51 51 PRO HG3 H 1 2.116245873 0.002548231819 . . . . . . . 781 PRO HG3 . 52372 1
505 . 1 . 1 51 51 PRO HD2 H 1 4.006006826 0.003290272925 . . . . . . . 781 PRO HD2 . 52372 1
506 . 1 . 1 51 51 PRO HD3 H 1 4.346375316 0.002385418869 . . . . . . . 781 PRO HD3 . 52372 1
507 . 1 . 1 51 51 PRO CA C 13 65.02101598 0.01620447183 . . . . . . . 781 PRO CA . 52372 1
508 . 1 . 1 51 51 PRO CB C 13 32.4513564 0.03603652606 . . . . . . . 781 PRO CB . 52372 1
509 . 1 . 1 51 51 PRO CG C 13 27.42236166 0.04334755889 . . . . . . . 781 PRO CG . 52372 1
510 . 1 . 1 51 51 PRO CD C 13 52.09017068 0.0265449616 . . . . . . . 781 PRO CD . 52372 1
511 . 1 . 1 52 52 LYS H H 1 8.268756935 0.0006115372418 . . . . . . . 782 LYS H . 52372 1
512 . 1 . 1 52 52 LYS HA H 1 4.326447923 0.006656802548 . . . . . . . 782 LYS HA . 52372 1
513 . 1 . 1 52 52 LYS HB2 H 1 1.836011316 0.004827377535 . . . . . . . 782 LYS HB2 . 52372 1
514 . 1 . 1 52 52 LYS HG2 H 1 1.461658243 0.00976630944 . . . . . . . 782 LYS HG2 . 52372 1
515 . 1 . 1 52 52 LYS HD2 H 1 1.673728141 0.003985512404 . . . . . . . 782 LYS HD2 . 52372 1
516 . 1 . 1 52 52 LYS HD3 H 1 1.617289854 0 . . . . . . . 782 LYS HD3 . 52372 1
517 . 1 . 1 52 52 LYS HE2 H 1 2.963584942 0.008137057524 . . . . . . . 782 LYS HE . 52372 1
518 . 1 . 1 52 52 LYS HE3 H 1 2.963584942 0.008137057524 . . . . . . . 782 LYS HE . 52372 1
519 . 1 . 1 52 52 LYS CA C 13 56.41205173 0.0439679808 . . . . . . . 782 LYS CA . 52372 1
520 . 1 . 1 52 52 LYS CB C 13 32.1428819 0.04228095903 . . . . . . . 782 LYS CB . 52372 1
521 . 1 . 1 52 52 LYS CG C 13 25.06039659 . . . . . . . . 782 LYS CG . 52372 1
522 . 1 . 1 52 52 LYS CD C 13 27.80244989 0.07280307748 . . . . . . . 782 LYS CD . 52372 1
523 . 1 . 1 52 52 LYS CE C 13 42.0574164 0.0505044013 . . . . . . . 782 LYS CE . 52372 1
524 . 1 . 1 52 52 LYS N N 15 118.0600826 0.04827844205 . . . . . . . 782 LYS N . 52372 1
525 . 1 . 1 53 53 ARG H H 1 7.278898092 0.001051136115 . . . . . . . 783 ARG H . 52372 1
526 . 1 . 1 53 53 ARG HA H 1 3.101218312 0.003441059824 . . . . . . . 783 ARG HA . 52372 1
527 . 1 . 1 53 53 ARG HB2 H 1 1.765508909 0.001478447226 . . . . . . . 783 ARG HB2 . 52372 1
528 . 1 . 1 53 53 ARG HG2 H 1 1.272749224 0.000003546 . . . . . . . 783 ARG HG2 . 52372 1
529 . 1 . 1 53 53 ARG HG3 H 1 1.382023796 0.0000562 . . . . . . . 783 ARG HG3 . 52372 1
530 . 1 . 1 53 53 ARG CA C 13 59.60893779 0.03910775899 . . . . . . . 783 ARG CA . 52372 1
531 . 1 . 1 53 53 ARG CB C 13 29.37322316 0.0002338318702 . . . . . . . 783 ARG CB . 52372 1
532 . 1 . 1 53 53 ARG CG C 13 24.73113398 0.0005915218282 . . . . . . . 783 ARG CG . 52372 1
533 . 1 . 1 53 53 ARG N N 15 123.1670939 0.001750834364 . . . . . . . 783 ARG N . 52372 1
534 . 1 . 1 54 54 LYS H H 1 7.659036523 0.0124852396 . . . . . . . 784 LYS H . 52372 1
535 . 1 . 1 54 54 LYS HA H 1 3.780725816 0.003027611299 . . . . . . . 784 LYS HA . 52372 1
536 . 1 . 1 54 54 LYS HG2 H 1 1.27617732 0.002806700365 . . . . . . . 784 LYS HG2 . 52372 1
537 . 1 . 1 54 54 LYS HG3 H 1 1.386043347 0.00334355166 . . . . . . . 784 LYS HG3 . 52372 1
538 . 1 . 1 54 54 LYS HD2 H 1 1.770220429 0.008968893355 . . . . . . . 784 LYS HD2 . 52372 1
539 . 1 . 1 54 54 LYS HD3 H 1 1.814367907 0.008217962014 . . . . . . . 784 LYS HD3 . 52372 1
540 . 1 . 1 54 54 LYS HE2 H 1 2.946736729 0.0032067283 . . . . . . . 784 LYS HE2 . 52372 1
541 . 1 . 1 54 54 LYS HE3 H 1 2.957741804 0.01114360006 . . . . . . . 784 LYS HE3 . 52372 1
542 . 1 . 1 54 54 LYS CA C 13 59.73590394 0.02306561069 . . . . . . . 784 LYS CA . 52372 1
543 . 1 . 1 54 54 LYS CG C 13 24.74364149 0.02716855807 . . . . . . . 784 LYS CG . 52372 1
544 . 1 . 1 54 54 LYS CD C 13 32.02752651 0.085092197 . . . . . . . 784 LYS CD . 52372 1
545 . 1 . 1 54 54 LYS CE C 13 42.07562095 0.04575084746 . . . . . . . 784 LYS CE . 52372 1
546 . 1 . 1 54 54 LYS N N 15 118.3845699 0.02614092375 . . . . . . . 784 LYS N . 52372 1
547 . 1 . 1 55 55 GLU H H 1 7.840581698 0.0002122634464 . . . . . . . 785 GLU H . 52372 1
548 . 1 . 1 55 55 GLU HA H 1 4.071376694 0.007070750866 . . . . . . . 785 GLU HA . 52372 1
549 . 1 . 1 55 55 GLU HG2 H 1 2.261384566 0.00004 . . . . . . . 785 GLU HG2 . 52372 1
550 . 1 . 1 55 55 GLU HG3 H 1 2.257904295 0.002552732451 . . . . . . . 785 GLU HG3 . 52372 1
551 . 1 . 1 55 55 GLU CA C 13 59.13908662 0.08840202063 . . . . . . . 785 GLU CA . 52372 1
552 . 1 . 1 55 55 GLU CG C 13 36.52440434 0.09611287097 . . . . . . . 785 GLU CG . 52372 1
553 . 1 . 1 55 55 GLU N N 15 116.6142259 0.03825646582 . . . . . . . 785 GLU N . 52372 1
554 . 1 . 1 56 56 LYS H H 1 7.580342692 0.004937838518 . . . . . . . 786 LYS H . 52372 1
555 . 1 . 1 56 56 LYS HA H 1 4.122963527 0.005295271295 . . . . . . . 786 LYS HA . 52372 1
556 . 1 . 1 56 56 LYS HB2 H 1 1.701923702 0.003080220843 . . . . . . . 786 LYS HB2 . 52372 1
557 . 1 . 1 56 56 LYS HB3 H 1 1.807068685 0.00148353146 . . . . . . . 786 LYS HB3 . 52372 1
558 . 1 . 1 56 56 LYS HG2 H 1 1.379760914 0.00276276563 . . . . . . . 786 LYS HG2 . 52372 1
559 . 1 . 1 56 56 LYS HG3 H 1 1.383933214 0.0004916569347 . . . . . . . 786 LYS HG3 . 52372 1
560 . 1 . 1 56 56 LYS HD2 H 1 1.66594567 0.002243700033 . . . . . . . 786 LYS HD2 . 52372 1
561 . 1 . 1 56 56 LYS HD3 H 1 1.669339613 0.00196590512 . . . . . . . 786 LYS HD3 . 52372 1
562 . 1 . 1 56 56 LYS HE2 H 1 2.98316226 0.004501743501 . . . . . . . 786 LYS HE2 . 52372 1
563 . 1 . 1 56 56 LYS HE3 H 1 2.984660012 0.002661080086 . . . . . . . 786 LYS HE3 . 52372 1
564 . 1 . 1 56 56 LYS CA C 13 57.72948595 0.02027788188 . . . . . . . 786 LYS CA . 52372 1
565 . 1 . 1 56 56 LYS CB C 13 33.72784354 0.02314487758 . . . . . . . 786 LYS CB . 52372 1
566 . 1 . 1 56 56 LYS CG C 13 24.70905618 0.03557675921 . . . . . . . 786 LYS CG . 52372 1
567 . 1 . 1 56 56 LYS CD C 13 29.23036077 0.04447134352 . . . . . . . 786 LYS CD . 52372 1
568 . 1 . 1 56 56 LYS CE C 13 42.22741544 0.03984824531 . . . . . . . 786 LYS CE . 52372 1
569 . 1 . 1 56 56 LYS N N 15 119.1776034 0.0514203523 . . . . . . . 786 LYS N . 52372 1
570 . 1 . 1 57 57 VAL H H 1 8.587272531 0 . . . . . . . 787 VAL H . 52372 1
571 . 1 . 1 57 57 VAL HA H 1 3.697218402 0.004014349296 . . . . . . . 787 VAL HA . 52372 1
572 . 1 . 1 57 57 VAL HB H 1 2.103953503 0.004515683233 . . . . . . . 787 VAL HB . 52372 1
573 . 1 . 1 57 57 VAL HG11 H 1 0.8944896196 0.004009202951 . . . . . . . 787 VAL HG1# . 52372 1
574 . 1 . 1 57 57 VAL HG12 H 1 0.8944896196 0.004009202951 . . . . . . . 787 VAL HG1# . 52372 1
575 . 1 . 1 57 57 VAL HG13 H 1 0.8944896196 0.004009202951 . . . . . . . 787 VAL HG1# . 52372 1
576 . 1 . 1 57 57 VAL HG21 H 1 0.8965446875 0.003856162222 . . . . . . . 787 VAL HG2# . 52372 1
577 . 1 . 1 57 57 VAL HG22 H 1 0.8965446875 0.003856162222 . . . . . . . 787 VAL HG2# . 52372 1
578 . 1 . 1 57 57 VAL HG23 H 1 0.8965446875 0.003856162222 . . . . . . . 787 VAL HG2# . 52372 1
579 . 1 . 1 57 57 VAL CA C 13 66.27501661 0.07893164376 . . . . . . . 787 VAL CA . 52372 1
580 . 1 . 1 57 57 VAL CB C 13 31.7881243 0.03925811769 . . . . . . . 787 VAL CB . 52372 1
581 . 1 . 1 57 57 VAL CG1 C 13 22.50287082 0.01099712208 . . . . . . . 787 VAL CG1 . 52372 1
582 . 1 . 1 57 57 VAL CG2 C 13 22.51110928 0.01388166102 . . . . . . . 787 VAL CG2 . 52372 1
583 . 1 . 1 57 57 VAL N N 15 121.0288532 0.0000013 . . . . . . . 787 VAL N . 52372 1
584 . 1 . 1 58 58 GLU H H 1 8.2210859 0.000000119 . . . . . . . 788 GLU H . 52372 1
585 . 1 . 1 58 58 GLU HA H 1 3.863518655 0.001125672898 . . . . . . . 788 GLU HA . 52372 1
586 . 1 . 1 58 58 GLU CA C 13 59.54 0.01193765508 . . . . . . . 788 GLU CA . 52372 1
587 . 1 . 1 58 58 GLU N N 15 120.4119403 0.0000013 . . . . . . . 788 GLU N . 52372 1
588 . 1 . 1 59 59 GLU H H 1 8.036267006 0 . . . . . . . 789 GLU H . 52372 1
589 . 1 . 1 59 59 GLU HA H 1 4.131464484 0.003187465601 . . . . . . . 789 GLU HA . 52372 1
590 . 1 . 1 59 59 GLU HB2 H 1 2.232104201 0.009822098614 . . . . . . . 789 GLU HB2 . 52372 1
591 . 1 . 1 59 59 GLU HB3 H 1 2.240960083 0.009999389354 . . . . . . . 789 GLU HB3 . 52372 1
592 . 1 . 1 59 59 GLU HG2 H 1 2.450686794 0.0008556414198 . . . . . . . 789 GLU HG2 . 52372 1
593 . 1 . 1 59 59 GLU HG3 H 1 2.450905651 0.002424800105 . . . . . . . 789 GLU HG3 . 52372 1
594 . 1 . 1 59 59 GLU CA C 13 58.90651591 0.07647211521 . . . . . . . 789 GLU CA . 52372 1
595 . 1 . 1 59 59 GLU CB C 13 30.03381139 0.02160170398 . . . . . . . 789 GLU CB . 52372 1
596 . 1 . 1 59 59 GLU CG C 13 36.49152162 0.0488549891 . . . . . . . 789 GLU CG . 52372 1
597 . 1 . 1 59 59 GLU N N 15 119.5762054 0 . . . . . . . 789 GLU N . 52372 1
598 . 1 . 1 60 60 THR H H 1 7.919600667 0.0001791570273 . . . . . . . 790 THR H . 52372 1
599 . 1 . 1 60 60 THR HA H 1 4.170900971 0.001107340112 . . . . . . . 790 THR HA . 52372 1
600 . 1 . 1 60 60 THR HB H 1 4.329947727 0.003265547422 . . . . . . . 790 THR HB . 52372 1
601 . 1 . 1 60 60 THR HG21 H 1 1.388898665 0.001960088523 . . . . . . . 790 THR HG2# . 52372 1
602 . 1 . 1 60 60 THR HG22 H 1 1.388898665 0.001960088523 . . . . . . . 790 THR HG2# . 52372 1
603 . 1 . 1 60 60 THR HG23 H 1 1.388898665 0.001960088523 . . . . . . . 790 THR HG2# . 52372 1
604 . 1 . 1 60 60 THR CA C 13 65.16682267 0.0598760674 . . . . . . . 790 THR CA . 52372 1
605 . 1 . 1 60 60 THR CB C 13 69.32602716 0.02943859496 . . . . . . . 790 THR CB . 52372 1
606 . 1 . 1 60 60 THR CG2 C 13 22.14612751 0.01269268764 . . . . . . . 790 THR CG2 . 52372 1
607 . 1 . 1 60 60 THR N N 15 112.6668428 0.02041257121 . . . . . . . 790 THR N . 52372 1
608 . 1 . 1 61 61 GLU H H 1 7.998598971 0.007698746891 . . . . . . . 791 GLU H . 52372 1
609 . 1 . 1 61 61 GLU HA H 1 4.084285525 0.009249649734 . . . . . . . 791 GLU HA . 52372 1
610 . 1 . 1 61 61 GLU HB2 H 1 2.050033707 0.01201680874 . . . . . . . 791 GLU HB2 . 52372 1
611 . 1 . 1 61 61 GLU HB3 H 1 2.10267297 0.0049118397 . . . . . . . 791 GLU HB3 . 52372 1
612 . 1 . 1 61 61 GLU HG2 H 1 2.25692754 0.008361976652 . . . . . . . 791 GLU HG2 . 52372 1
613 . 1 . 1 61 61 GLU HG3 H 1 2.453082317 0.00255231559 . . . . . . . 791 GLU HG3 . 52372 1
614 . 1 . 1 61 61 GLU CA C 13 58.87954726 0.08798313202 . . . . . . . 791 GLU CA . 52372 1
615 . 1 . 1 61 61 GLU CB C 13 29.32013019 0.09344022958 . . . . . . . 791 GLU CB . 52372 1
616 . 1 . 1 61 61 GLU CG C 13 36.76170556 0.00252370939 . . . . . . . 791 GLU CG . 52372 1
617 . 1 . 1 61 61 GLU N N 15 121.40051 0.04007730499 . . . . . . . 791 GLU N . 52372 1
618 . 1 . 1 62 62 LEU H H 1 7.873063263 0.001416628065 . . . . . . . 792 LEU H . 52372 1
619 . 1 . 1 62 62 LEU HA H 1 4.160986924 0.00216041621 . . . . . . . 792 LEU HA . 52372 1
620 . 1 . 1 62 62 LEU HB2 H 1 1.557271914 0.004521760988 . . . . . . . 792 LEU HB2 . 52372 1
621 . 1 . 1 62 62 LEU HB3 H 1 1.766365469 0 . . . . . . . 792 LEU HB3 . 52372 1
622 . 1 . 1 62 62 LEU HG H 1 1.579425156 0.007085272774 . . . . . . . 792 LEU HG . 52372 1
623 . 1 . 1 62 62 LEU HD11 H 1 0.8352194125 0.003292824161 . . . . . . . 792 LEU HD1# . 52372 1
624 . 1 . 1 62 62 LEU HD12 H 1 0.8352194125 0.003292824161 . . . . . . . 792 LEU HD1# . 52372 1
625 . 1 . 1 62 62 LEU HD13 H 1 0.8352194125 0.003292824161 . . . . . . . 792 LEU HD1# . 52372 1
626 . 1 . 1 62 62 LEU HD21 H 1 0.8989930545 0.001903029124 . . . . . . . 792 LEU HD2# . 52372 1
627 . 1 . 1 62 62 LEU HD22 H 1 0.8989930545 0.001903029124 . . . . . . . 792 LEU HD2# . 52372 1
628 . 1 . 1 62 62 LEU HD23 H 1 0.8989930545 0.001903029124 . . . . . . . 792 LEU HD2# . 52372 1
629 . 1 . 1 62 62 LEU CA C 13 57.14742875 0.0621650691 . . . . . . . 792 LEU CA . 52372 1
630 . 1 . 1 62 62 LEU CB C 13 42.06661901 0.0714016574 . . . . . . . 792 LEU CB . 52372 1
631 . 1 . 1 62 62 LEU CG C 13 26.91130707 0.03078336525 . . . . . . . 792 LEU CG . 52372 1
632 . 1 . 1 62 62 LEU CD1 C 13 23.98651188 0.03251139754 . . . . . . . 792 LEU CD1 . 52372 1
633 . 1 . 1 62 62 LEU CD2 C 13 24.65081029 0.06317368204 . . . . . . . 792 LEU CD2 . 52372 1
634 . 1 . 1 62 62 LEU N N 15 120.5223772 0.03387051236 . . . . . . . 792 LEU N . 52372 1
635 . 1 . 1 63 63 TYR H H 1 7.873723457 0.0003828655166 . . . . . . . 793 TYR H . 52372 1
636 . 1 . 1 63 63 TYR HA H 1 4.384117134 0.002480324097 . . . . . . . 793 TYR HA . 52372 1
637 . 1 . 1 63 63 TYR HB2 H 1 3.055192544 0.001299569469 . . . . . . . 793 TYR HB2 . 52372 1
638 . 1 . 1 63 63 TYR HB3 H 1 3.151721117 0.001622279382 . . . . . . . 793 TYR HB3 . 52372 1
639 . 1 . 1 63 63 TYR CA C 13 59.55167757 0.08842812517 . . . . . . . 793 TYR CA . 52372 1
640 . 1 . 1 63 63 TYR CB C 13 38.05080282 0.04343389097 . . . . . . . 793 TYR CB . 52372 1
641 . 1 . 1 63 63 TYR N N 15 118.2470378 0.02575290763 . . . . . . . 793 TYR N . 52372 1
642 . 1 . 1 64 64 LEU H H 1 7.968364496 0.001364495813 . . . . . . . 794 LEU H . 52372 1
643 . 1 . 1 64 64 LEU HA H 1 4.162681185 0.00469490131 . . . . . . . 794 LEU HA . 52372 1
644 . 1 . 1 64 64 LEU HB2 H 1 1.557006162 0.006347171094 . . . . . . . 794 LEU HB2 . 52372 1
645 . 1 . 1 64 64 LEU HB3 H 1 1.663482381 0.004316992194 . . . . . . . 794 LEU HB3 . 52372 1
646 . 1 . 1 64 64 LEU HG H 1 1.722380845 0.004577943493 . . . . . . . 794 LEU HG . 52372 1
647 . 1 . 1 64 64 LEU HD11 H 1 0.9195499629 0.005731534033 . . . . . . . 794 LEU HD1# . 52372 1
648 . 1 . 1 64 64 LEU HD12 H 1 0.9195499629 0.005731534033 . . . . . . . 794 LEU HD1# . 52372 1
649 . 1 . 1 64 64 LEU HD13 H 1 0.9195499629 0.005731534033 . . . . . . . 794 LEU HD1# . 52372 1
650 . 1 . 1 64 64 LEU HD21 H 1 0.9368038192 0.005958376424 . . . . . . . 794 LEU HD2# . 52372 1
651 . 1 . 1 64 64 LEU HD22 H 1 0.9368038192 0.005958376424 . . . . . . . 794 LEU HD2# . 52372 1
652 . 1 . 1 64 64 LEU HD23 H 1 0.9368038192 0.005958376424 . . . . . . . 794 LEU HD2# . 52372 1
653 . 1 . 1 64 64 LEU CA C 13 56.54620298 0.09402534223 . . . . . . . 794 LEU CA . 52372 1
654 . 1 . 1 64 64 LEU CB C 13 42.08222182 0.07977410088 . . . . . . . 794 LEU CB . 52372 1
655 . 1 . 1 64 64 LEU CG C 13 26.86690881 0.02729615931 . . . . . . . 794 LEU CG . 52372 1
656 . 1 . 1 64 64 LEU CD1 C 13 23.46134655 0.09183303923 . . . . . . . 794 LEU CD1 . 52372 1
657 . 1 . 1 64 64 LEU CD2 C 13 25.22656819 0.06329179772 . . . . . . . 794 LEU CD2 . 52372 1
658 . 1 . 1 64 64 LEU N N 15 120.5770027 0.003002750166 . . . . . . . 794 LEU N . 52372 1
659 . 1 . 1 65 65 ASN H H 1 8.135120968 0.0001160298989 . . . . . . . 795 ASN H . 52372 1
660 . 1 . 1 65 65 ASN HA H 1 4.61219421 0.002905482045 . . . . . . . 795 ASN HA . 52372 1
661 . 1 . 1 65 65 ASN HB2 H 1 2.82147484 0.00655359549 . . . . . . . 795 ASN HB2 . 52372 1
662 . 1 . 1 65 65 ASN HB3 H 1 2.858653674 0.006963174061 . . . . . . . 795 ASN HB3 . 52372 1
663 . 1 . 1 65 65 ASN CA C 13 54.39934223 0.01382230013 . . . . . . . 795 ASN CA . 52372 1
664 . 1 . 1 65 65 ASN CB C 13 38.65747475 0.06022081476 . . . . . . . 795 ASN CB . 52372 1
665 . 1 . 1 65 65 ASN N N 15 117.7454261 0.06084980053 . . . . . . . 795 ASN N . 52372 1
666 . 1 . 1 66 66 LEU H H 1 8.04268625 0.0006922437357 . . . . . . . 796 LEU H . 52372 1
667 . 1 . 1 66 66 LEU HA H 1 4.189399754 0.002991575384 . . . . . . . 796 LEU HA . 52372 1
668 . 1 . 1 66 66 LEU HB2 H 1 1.504988956 0.003328486238 . . . . . . . 796 LEU HB2 . 52372 1
669 . 1 . 1 66 66 LEU HB3 H 1 1.694836754 0.00112282946 . . . . . . . 796 LEU HB3 . 52372 1
670 . 1 . 1 66 66 LEU HG H 1 1.705535488 0.01410296425 . . . . . . . 796 LEU HG . 52372 1
671 . 1 . 1 66 66 LEU HD11 H 1 0.8280635474 0.001951936979 . . . . . . . 796 LEU HD1# . 52372 1
672 . 1 . 1 66 66 LEU HD12 H 1 0.8280635474 0.001951936979 . . . . . . . 796 LEU HD1# . 52372 1
673 . 1 . 1 66 66 LEU HD13 H 1 0.8280635474 0.001951936979 . . . . . . . 796 LEU HD1# . 52372 1
674 . 1 . 1 66 66 LEU HD21 H 1 0.8724569537 0.001597571884 . . . . . . . 796 LEU HD2# . 52372 1
675 . 1 . 1 66 66 LEU HD22 H 1 0.8724569537 0.001597571884 . . . . . . . 796 LEU HD2# . 52372 1
676 . 1 . 1 66 66 LEU HD23 H 1 0.8724569537 0.001597571884 . . . . . . . 796 LEU HD2# . 52372 1
677 . 1 . 1 66 66 LEU CA C 13 56.42548526 0.03162901054 . . . . . . . 796 LEU CA . 52372 1
678 . 1 . 1 66 66 LEU CB C 13 42.0863605 0.03121766886 . . . . . . . 796 LEU CB . 52372 1
679 . 1 . 1 66 66 LEU CG C 13 26.80134222 0.01681994643 . . . . . . . 796 LEU CG . 52372 1
680 . 1 . 1 66 66 LEU CD1 C 13 23.18037572 0.02635819841 . . . . . . . 796 LEU CD1 . 52372 1
681 . 1 . 1 66 66 LEU CD2 C 13 25.10076533 0.04361324755 . . . . . . . 796 LEU CD2 . 52372 1
682 . 1 . 1 66 66 LEU N N 15 121.0093265 0.01024083244 . . . . . . . 796 LEU N . 52372 1
683 . 1 . 1 67 67 GLU H H 1 8.210190074 0.002674146463 . . . . . . . 797 GLU H . 52372 1
684 . 1 . 1 67 67 GLU HA H 1 4.130162638 0.003724849475 . . . . . . . 797 GLU HA . 52372 1
685 . 1 . 1 67 67 GLU HB2 H 1 1.975166161 0.002967965773 . . . . . . . 797 GLU HB2 . 52372 1
686 . 1 . 1 67 67 GLU HB3 H 1 1.967976128 . . . . . . . . 797 GLU HB3 . 52372 1
687 . 1 . 1 67 67 GLU HG2 H 1 2.19926854 0.001036329577 . . . . . . . 797 GLU HG2 . 52372 1
688 . 1 . 1 67 67 GLU HG3 H 1 2.195942226 0.002764272456 . . . . . . . 797 GLU HG3 . 52372 1
689 . 1 . 1 67 67 GLU CA C 13 57.61086198 0.04893971916 . . . . . . . 797 GLU CA . 52372 1
690 . 1 . 1 67 67 GLU CB C 13 29.88945772 0.03633450165 . . . . . . . 797 GLU CB . 52372 1
691 . 1 . 1 67 67 GLU CG C 13 36.38387601 0.07199699212 . . . . . . . 797 GLU CG . 52372 1
692 . 1 . 1 67 67 GLU N N 15 119.8630286 0.002049324286 . . . . . . . 797 GLU N . 52372 1
693 . 1 . 1 68 68 ARG H H 1 7.968342732 0.001375207649 . . . . . . . 798 ARG H . 52372 1
694 . 1 . 1 68 68 ARG HA H 1 4.240385832 0.00249060144 . . . . . . . 798 ARG HA . 52372 1
695 . 1 . 1 68 68 ARG HB2 H 1 1.795217969 0.008738265857 . . . . . . . 798 ARG HB2 . 52372 1
696 . 1 . 1 68 68 ARG HB3 H 1 1.82123495 0.01215703171 . . . . . . . 798 ARG HB3 . 52372 1
697 . 1 . 1 68 68 ARG HG2 H 1 1.529766246 0.002975165036 . . . . . . . 798 ARG HG2 . 52372 1
698 . 1 . 1 68 68 ARG HG3 H 1 1.612102363 0.002833840921 . . . . . . . 798 ARG HG3 . 52372 1
699 . 1 . 1 68 68 ARG HD2 H 1 3.106259502 0.002225523238 . . . . . . . 798 ARG HD2 . 52372 1
700 . 1 . 1 68 68 ARG HD3 H 1 3.105132697 0.001494961903 . . . . . . . 798 ARG HD3 . 52372 1
701 . 1 . 1 68 68 ARG CA C 13 56.75166532 0.03368917002 . . . . . . . 798 ARG CA . 52372 1
702 . 1 . 1 68 68 ARG CB C 13 30.5975514 0.04341867605 . . . . . . . 798 ARG CB . 52372 1
703 . 1 . 1 68 68 ARG CG C 13 27.22091814 0.03133710848 . . . . . . . 798 ARG CG . 52372 1
704 . 1 . 1 68 68 ARG CD C 13 43.36950483 0.02977816344 . . . . . . . 798 ARG CD . 52372 1
705 . 1 . 1 68 68 ARG N N 15 120.13098 0.0441723802 . . . . . . . 798 ARG N . 52372 1
706 . 1 . 1 69 69 ILE H H 1 8.001905562 0.003713127154 . . . . . . . 799 ILE H . 52372 1
707 . 1 . 1 69 69 ILE HA H 1 4.119196356 0.001355747632 . . . . . . . 799 ILE HA . 52372 1
708 . 1 . 1 69 69 ILE HB H 1 1.898264886 0.006847160488 . . . . . . . 799 ILE HB . 52372 1
709 . 1 . 1 69 69 ILE HG12 H 1 1.208551633 0.003893361025 . . . . . . . 799 ILE HG12 . 52372 1
710 . 1 . 1 69 69 ILE HG13 H 1 1.472855318 0.00324432073 . . . . . . . 799 ILE HG13 . 52372 1
711 . 1 . 1 69 69 ILE HG21 H 1 0.8967999345 0.002645635434 . . . . . . . 799 ILE HG2# . 52372 1
712 . 1 . 1 69 69 ILE HG22 H 1 0.8967999345 0.002645635434 . . . . . . . 799 ILE HG2# . 52372 1
713 . 1 . 1 69 69 ILE HG23 H 1 0.8967999345 0.002645635434 . . . . . . . 799 ILE HG2# . 52372 1
714 . 1 . 1 69 69 ILE HD11 H 1 0.8390304956 0.002172063285 . . . . . . . 799 ILE HD1# . 52372 1
715 . 1 . 1 69 69 ILE HD12 H 1 0.8390304956 0.002172063285 . . . . . . . 799 ILE HD1# . 52372 1
716 . 1 . 1 69 69 ILE HD13 H 1 0.8390304956 0.002172063285 . . . . . . . 799 ILE HD1# . 52372 1
717 . 1 . 1 69 69 ILE CA C 13 61.78710831 0.0150450216 . . . . . . . 799 ILE CA . 52372 1
718 . 1 . 1 69 69 ILE CB C 13 38.52008693 . . . . . . . . 799 ILE CB . 52372 1
719 . 1 . 1 69 69 ILE CG1 C 13 27.42991776 0.05387747975 . . . . . . . 799 ILE CG1 . 52372 1
720 . 1 . 1 69 69 ILE CG2 C 13 17.45723056 0.01435556917 . . . . . . . 799 ILE CG2 . 52372 1
721 . 1 . 1 69 69 ILE CD1 C 13 13.07692541 0.0322155151 . . . . . . . 799 ILE CD1 . 52372 1
722 . 1 . 1 69 69 ILE N N 15 120.0141578 0.02092501884 . . . . . . . 799 ILE N . 52372 1
723 . 1 . 1 70 70 GLY H H 1 8.264067792 0.0005361269716 . . . . . . . 800 GLY H . 52372 1
724 . 1 . 1 70 70 GLY HA2 H 1 3.885193948 0.0008631613474 . . . . . . . 800 GLY HA2 . 52372 1
725 . 1 . 1 70 70 GLY CA C 13 45.42092648 0.01362585506 . . . . . . . 800 GLY CA . 52372 1
726 . 1 . 1 70 70 GLY N N 15 111.5007544 0.06365611464 . . . . . . . 800 GLY N . 52372 1
727 . 1 . 1 71 71 GLY H H 1 8.166916654 0.002611721134 . . . . . . . 801 GLY H . 52372 1
728 . 1 . 1 71 71 GLY HA2 H 1 3.742999746 0.002417605875 . . . . . . . 801 GLY HA2 . 52372 1
729 . 1 . 1 71 71 GLY HA3 H 1 4.27490806 0.001367088674 . . . . . . . 801 GLY HA3 . 52372 1
730 . 1 . 1 71 71 GLY CA C 13 45.33896525 0.00873366832 . . . . . . . 801 GLY CA . 52372 1
731 . 1 . 1 71 71 GLY N N 15 108.4549181 0.002957789182 . . . . . . . 801 GLY N . 52372 1
732 . 1 . 1 72 72 TRP H H 1 7.953105427 0.002249738894 . . . . . . . 802 TRP H . 52372 1
733 . 1 . 1 72 72 TRP HA H 1 4.635175122 0.002652070599 . . . . . . . 802 TRP HA . 52372 1
734 . 1 . 1 72 72 TRP HB2 H 1 3.199407637 0.01205205064 . . . . . . . 802 TRP HB2 . 52372 1
735 . 1 . 1 72 72 TRP HB3 H 1 3.26202621 0.00152953745 . . . . . . . 802 TRP HB3 . 52372 1
736 . 1 . 1 72 72 TRP HE1 H 1 10.11047757 . . . . . . . . 802 TRP HE1 . 52372 1
737 . 1 . 1 72 72 TRP CA C 13 57.27178571 0.01945667598 . . . . . . . 802 TRP CA . 52372 1
738 . 1 . 1 72 72 TRP CB C 13 29.72678643 0.05501350327 . . . . . . . 802 TRP CB . 52372 1
739 . 1 . 1 72 72 TRP CG C 13 108.5784314 . . . . . . . . 802 TRP CG . 52372 1
740 . 1 . 1 72 72 TRP N N 15 120.3591816 0.01694020657 . . . . . . . 802 TRP N . 52372 1
741 . 1 . 1 72 72 TRP NE1 N 15 129.3917017 0 . . . . . . . 802 TRP NE1 . 52372 1
742 . 1 . 1 73 73 SER H H 1 8.034342563 0 . . . . . . . 803 SER H . 52372 1
743 . 1 . 1 73 73 SER HA H 1 4.31213381 0.001690717856 . . . . . . . 803 SER HA . 52372 1
744 . 1 . 1 73 73 SER HB2 H 1 3.631229241 0.00611179356 . . . . . . . 803 SER HB2 . 52372 1
745 . 1 . 1 73 73 SER HB3 H 1 3.649421349 0.008827730363 . . . . . . . 803 SER HB3 . 52372 1
746 . 1 . 1 73 73 SER CA C 13 58.07488394 0.01303327877 . . . . . . . 803 SER CA . 52372 1
747 . 1 . 1 73 73 SER CB C 13 63.83872297 0.02773380464 . . . . . . . 803 SER CB . 52372 1
748 . 1 . 1 73 73 SER N N 15 117.1636509 0.0000013 . . . . . . . 803 SER N . 52372 1
749 . 1 . 1 74 74 HIS H H 1 8.152071333 0.005436530381 . . . . . . . 804 HIS H . 52372 1
750 . 1 . 1 74 74 HIS HA H 1 4.555523623 0.002424551817 . . . . . . . 804 HIS HA . 52372 1
751 . 1 . 1 74 74 HIS HB2 H 1 2.305468196 0.002340068036 . . . . . . . 804 HIS HB2 . 52372 1
752 . 1 . 1 74 74 HIS HB3 H 1 2.437031705 0.002244889984 . . . . . . . 804 HIS HB3 . 52372 1
753 . 1 . 1 74 74 HIS CA C 13 54.03500602 0.01365224359 . . . . . . . 804 HIS CA . 52372 1
754 . 1 . 1 74 74 HIS CB C 13 33.48610573 0.04958660029 . . . . . . . 804 HIS CB . 52372 1
755 . 1 . 1 74 74 HIS N N 15 121.1625208 0.02174874646 . . . . . . . 804 HIS N . 52372 1
756 . 1 . 1 75 75 PRO HA H 1 4.32977699 0.002007557797 . . . . . . . 805 PRO HA . 52372 1
757 . 1 . 1 75 75 PRO HB2 H 1 1.747245631 0.003335875797 . . . . . . . 805 PRO HB2 . 52372 1
758 . 1 . 1 75 75 PRO HB3 H 1 2.203753571 0.002153615274 . . . . . . . 805 PRO HB3 . 52372 1
759 . 1 . 1 75 75 PRO HG2 H 1 1.954523536 0.001765883279 . . . . . . . 805 PRO HG2 . 52372 1
760 . 1 . 1 75 75 PRO HG3 H 1 1.953746691 0.001479124885 . . . . . . . 805 PRO HG3 . 52372 1
761 . 1 . 1 75 75 PRO HD2 H 1 3.475906224 0.002488014157 . . . . . . . 805 PRO HD2 . 52372 1
762 . 1 . 1 75 75 PRO HD3 H 1 3.690347834 0.001591359601 . . . . . . . 805 PRO HD3 . 52372 1
763 . 1 . 1 75 75 PRO CA C 13 63.3491671 0.0601334875 . . . . . . . 805 PRO CA . 52372 1
764 . 1 . 1 75 75 PRO CB C 13 32.12452473 0.02541651886 . . . . . . . 805 PRO CB . 52372 1
765 . 1 . 1 75 75 PRO CG C 13 27.41514469 0.0258641836 . . . . . . . 805 PRO CG . 52372 1
766 . 1 . 1 75 75 PRO CD C 13 50.66862958 0.01882343929 . . . . . . . 805 PRO CD . 52372 1
767 . 1 . 1 76 76 GLN H H 1 8.584354112 0.002091380066 . . . . . . . 806 GLN H . 52372 1
768 . 1 . 1 76 76 GLN HA H 1 4.219711745 0.002601966271 . . . . . . . 806 GLN HA . 52372 1
769 . 1 . 1 76 76 GLN HB2 H 1 1.86367402 0.002312378276 . . . . . . . 806 GLN HB2 . 52372 1
770 . 1 . 1 76 76 GLN HB3 H 1 1.929053216 0.003455966373 . . . . . . . 806 GLN HB3 . 52372 1
771 . 1 . 1 76 76 GLN HG2 H 1 2.168504135 0.01125889624 . . . . . . . 806 GLN HG2 . 52372 1
772 . 1 . 1 76 76 GLN HG3 H 1 2.208795707 0.007692687661 . . . . . . . 806 GLN HG3 . 52372 1
773 . 1 . 1 76 76 GLN CA C 13 56.01772793 0.07747616064 . . . . . . . 806 GLN CA . 52372 1
774 . 1 . 1 76 76 GLN CB C 13 29.4697132 0.04246195998 . . . . . . . 806 GLN CB . 52372 1
775 . 1 . 1 76 76 GLN CG C 13 33.68620375 0.04046685833 . . . . . . . 806 GLN CG . 52372 1
776 . 1 . 1 76 76 GLN N N 15 120.5624605 0.02068380467 . . . . . . . 806 GLN N . 52372 1
777 . 1 . 1 77 77 PHE H H 1 8.164579674 0.000053 . . . . . . . 807 PHE H . 52372 1
778 . 1 . 1 77 77 PHE HA H 1 4.668638695 0.003436853077 . . . . . . . 807 PHE HA . 52372 1
779 . 1 . 1 77 77 PHE HB2 H 1 2.983230275 0.002523200187 . . . . . . . 807 PHE HB2 . 52372 1
780 . 1 . 1 77 77 PHE HB3 H 1 3.183582936 0.001384672952 . . . . . . . 807 PHE HB3 . 52372 1
781 . 1 . 1 77 77 PHE CA C 13 57.34972199 0.009710383214 . . . . . . . 807 PHE CA . 52372 1
782 . 1 . 1 77 77 PHE CB C 13 39.70783897 0.01030228618 . . . . . . . 807 PHE CB . 52372 1
783 . 1 . 1 77 77 PHE N N 15 120.3513498 0.04985177605 . . . . . . . 807 PHE N . 52372 1
784 . 1 . 1 78 78 GLU H H 1 8.321053818 0.003059914692 . . . . . . . 808 GLU H . 52372 1
785 . 1 . 1 78 78 GLU HA H 1 4.262673446 0.009042623697 . . . . . . . 808 GLU HA . 52372 1
786 . 1 . 1 78 78 GLU HB2 H 1 1.888054575 0.003234367218 . . . . . . . 808 GLU HB2 . 52372 1
787 . 1 . 1 78 78 GLU HB3 H 1 2.033052515 0.002104978371 . . . . . . . 808 GLU HB3 . 52372 1
788 . 1 . 1 78 78 GLU HG2 H 1 2.221837809 0.006366279664 . . . . . . . 808 GLU HG2 . 52372 1
789 . 1 . 1 78 78 GLU HG3 H 1 2.22113776 0.006977537185 . . . . . . . 808 GLU HG3 . 52372 1
790 . 1 . 1 78 78 GLU CA C 13 56.61130012 0.05985924013 . . . . . . . 808 GLU CA . 52372 1
791 . 1 . 1 78 78 GLU CB C 13 30.56435473 0.03497151371 . . . . . . . 808 GLU CB . 52372 1
792 . 1 . 1 78 78 GLU CG C 13 36.25972399 0.03287124581 . . . . . . . 808 GLU CG . 52372 1
793 . 1 . 1 78 78 GLU N N 15 122.6684459 0.01961950946 . . . . . . . 808 GLU N . 52372 1
794 . 1 . 1 79 79 LYS H H 1 7.901449862 0.003506687572 . . . . . . . 809 LYS H . 52372 1
795 . 1 . 1 79 79 LYS HA H 1 4.280195525 0.004247049553 . . . . . . . 809 LYS HA . 52372 1
796 . 1 . 1 79 79 LYS HB2 H 1 1.930882435 0.006145289031 . . . . . . . 809 LYS HB2 . 52372 1
797 . 1 . 1 79 79 LYS HB3 H 1 2.120170772 0.003153559664 . . . . . . . 809 LYS HB3 . 52372 1
798 . 1 . 1 79 79 LYS HG2 H 1 1.740871929 0.001860566251 . . . . . . . 809 LYS HG2 . 52372 1
799 . 1 . 1 79 79 LYS HG3 H 1 1.743659926 0.003394063998 . . . . . . . 809 LYS HG3 . 52372 1
800 . 1 . 1 79 79 LYS HD2 H 1 1.813401803 0.002130666276 . . . . . . . 809 LYS HD2 . 52372 1
801 . 1 . 1 79 79 LYS HD3 H 1 1.850950833 0.01041196343 . . . . . . . 809 LYS HD3 . 52372 1
802 . 1 . 1 79 79 LYS HE2 H 1 3.075470559 0.003613876442 . . . . . . . 809 LYS HE2 . 52372 1
803 . 1 . 1 79 79 LYS HE3 H 1 3.071868879 0 . . . . . . . 809 LYS HE3 . 52372 1
804 . 1 . 1 79 79 LYS CA C 13 57.72772183 0.04179129482 . . . . . . . 809 LYS CA . 52372 1
805 . 1 . 1 79 79 LYS CB C 13 31.92190768 0.06013858237 . . . . . . . 809 LYS CB . 52372 1
806 . 1 . 1 79 79 LYS CG C 13 24.93232812 0.02260338938 . . . . . . . 809 LYS CG . 52372 1
807 . 1 . 1 79 79 LYS CD C 13 28.09543509 0.03079944053 . . . . . . . 809 LYS CD . 52372 1
808 . 1 . 1 79 79 LYS CE C 13 42.05389012 0.02689429898 . . . . . . . 809 LYS CE . 52372 1
809 . 1 . 1 79 79 LYS N N 15 127.1143379 0.06256955233 . . . . . . . 809 LYS N . 52372 1
stop_
save_