Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 17050
_Assigned_chem_shift_list.ID 1
_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 $chemical_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
1 HNCA . . . 17050 1
2 HNCACB . . . 17050 1
3 CBCA(CO)NH . . . 17050 1
4 (H)CC(CO)NH-TOCSY . . . 17050 1
5 H(CC)(CO)NH-TOCSY . . . 17050 1
6 H(C)CH-TOCSY . . . 17050 1
7 (HB)CB(CGCD)HD . . . 17050 1
8 (HB)CB(CGCDCE)HE . . . 17050 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_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.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 2 2 ALA HA H 1 4.308 0.03 . 1 . . . . 8 ALA HA . 17050 1
2 . 1 1 2 2 ALA HB1 H 1 1.350 0.03 . 1 . . . . 8 ALA HB1 . 17050 1
3 . 1 1 2 2 ALA HB2 H 1 1.350 0.03 . 1 . . . . 8 ALA HB1 . 17050 1
4 . 1 1 2 2 ALA HB3 H 1 1.350 0.03 . 1 . . . . 8 ALA HB1 . 17050 1
5 . 1 1 2 2 ALA CA C 13 52.464 0.30 . 1 . . . . 8 ALA CA . 17050 1
6 . 1 1 2 2 ALA CB C 13 19.471 0.30 . 1 . . . . 8 ALA CB . 17050 1
7 . 1 1 3 3 MET H H 1 8.451 0.03 . 1 . . . . 9 MET HN . 17050 1
8 . 1 1 3 3 MET HA H 1 4.445 0.03 . 1 . . . . 9 MET HA . 17050 1
9 . 1 1 3 3 MET HB2 H 1 1.990 0.03 . 2 . . . . 9 MET HB1 . 17050 1
10 . 1 1 3 3 MET HB3 H 1 2.048 0.03 . 2 . . . . 9 MET HB2 . 17050 1
11 . 1 1 3 3 MET HE1 H 1 2.082 0.03 . 1 . . . . 9 MET HE1 . 17050 1
12 . 1 1 3 3 MET HE2 H 1 2.082 0.03 . 1 . . . . 9 MET HE1 . 17050 1
13 . 1 1 3 3 MET HE3 H 1 2.082 0.03 . 1 . . . . 9 MET HE1 . 17050 1
14 . 1 1 3 3 MET HG2 H 1 2.534 0.03 . 2 . . . . 9 MET HG1 . 17050 1
15 . 1 1 3 3 MET HG3 H 1 2.534 0.03 . 2 . . . . 9 MET HG2 . 17050 1
16 . 1 1 3 3 MET CA C 13 54.748 0.30 . 1 . . . . 9 MET CA . 17050 1
17 . 1 1 3 3 MET CB C 13 32.922 0.30 . 1 . . . . 9 MET CB . 17050 1
18 . 1 1 3 3 MET CE C 13 16.933 0.30 . 1 . . . . 9 MET CE . 17050 1
19 . 1 1 3 3 MET CG C 13 31.907 0.30 . 1 . . . . 9 MET CG . 17050 1
20 . 1 1 3 3 MET N N 15 120.500 0.30 . 1 . . . . 9 MET N . 17050 1
21 . 1 1 4 4 ALA H H 1 8.340 0.03 . 1 . . . . 10 ALA HN . 17050 1
22 . 1 1 4 4 ALA HA H 1 4.565 0.03 . 1 . . . . 10 ALA HA . 17050 1
23 . 1 1 4 4 ALA HB1 H 1 1.319 0.03 . 1 . . . . 10 ALA HB1 . 17050 1
24 . 1 1 4 4 ALA HB2 H 1 1.319 0.03 . 1 . . . . 10 ALA HB1 . 17050 1
25 . 1 1 4 4 ALA HB3 H 1 1.319 0.03 . 1 . . . . 10 ALA HB1 . 17050 1
26 . 1 1 4 4 ALA CA C 13 50.180 0.30 . 1 . . . . 10 ALA CA . 17050 1
27 . 1 1 4 4 ALA CB C 13 17.948 0.30 . 1 . . . . 10 ALA CB . 17050 1
28 . 1 1 4 4 ALA N N 15 127.751 0.30 . 1 . . . . 10 ALA N . 17050 1
29 . 1 1 5 5 PRO HA H 1 4.647 0.03 . 1 . . . . 11 PRO HA . 17050 1
30 . 1 1 5 5 PRO HD2 H 1 3.780 0.03 . 2 . . . . 11 PRO HD1 . 17050 1
31 . 1 1 5 5 PRO HD3 H 1 3.640 0.03 . 2 . . . . 11 PRO HD2 . 17050 1
32 . 1 1 5 5 PRO HG2 H 1 2.014 0.03 . 2 . . . . 11 PRO HG1 . 17050 1
33 . 1 1 5 5 PRO HG3 H 1 2.014 0.03 . 2 . . . . 11 PRO HG2 . 17050 1
34 . 1 1 5 5 PRO CA C 13 61.093 0.30 . 1 . . . . 11 PRO CA . 17050 1
35 . 1 1 5 5 PRO CD C 13 50.180 0.30 . 1 . . . . 11 PRO CD . 17050 1
36 . 1 1 5 5 PRO CG C 13 27.085 0.30 . 1 . . . . 11 PRO CG . 17050 1
37 . 1 1 6 6 PRO HA H 1 4.439 0.03 . 1 . . . . 12 PRO HA . 17050 1
38 . 1 1 6 6 PRO HB2 H 1 1.865 0.03 . 2 . . . . 12 PRO HB1 . 17050 1
39 . 1 1 6 6 PRO HB3 H 1 2.237 0.03 . 2 . . . . 12 PRO HB2 . 17050 1
40 . 1 1 6 6 PRO HD2 H 1 3.589 0.03 . 2 . . . . 12 PRO HD1 . 17050 1
41 . 1 1 6 6 PRO HD3 H 1 3.758 0.03 . 2 . . . . 12 PRO HD2 . 17050 1
42 . 1 1 6 6 PRO HG2 H 1 1.919 0.03 . 2 . . . . 12 PRO HG1 . 17050 1
43 . 1 1 6 6 PRO HG3 H 1 1.919 0.03 . 2 . . . . 12 PRO HG2 . 17050 1
44 . 1 1 6 6 PRO CA C 13 62.718 0.30 . 1 . . . . 12 PRO CA . 17050 1
45 . 1 1 6 6 PRO CB C 13 31.907 0.30 . 1 . . . . 12 PRO CB . 17050 1
46 . 1 1 6 6 PRO CD C 13 49.926 0.30 . 1 . . . . 12 PRO CD . 17050 1
47 . 1 1 6 6 PRO CG C 13 27.342 0.30 . 1 . . . . 12 PRO CG . 17050 1
48 . 1 1 7 7 VAL H H 1 8.140 0.03 . 1 . . . . 13 VAL HN . 17050 1
49 . 1 1 7 7 VAL HA H 1 4.028 0.03 . 1 . . . . 13 VAL HA . 17050 1
50 . 1 1 7 7 VAL HB H 1 2.003 0.03 . 1 . . . . 13 VAL HB . 17050 1
51 . 1 1 7 7 VAL HG21 H 1 0.909 0.03 . 2 . . . . 13 VAL HG21 . 17050 1
52 . 1 1 7 7 VAL HG22 H 1 0.909 0.03 . 2 . . . . 13 VAL HG21 . 17050 1
53 . 1 1 7 7 VAL HG23 H 1 0.909 0.03 . 2 . . . . 13 VAL HG21 . 17050 1
54 . 1 1 7 7 VAL CA C 13 61.855 0.30 . 1 . . . . 13 VAL CA . 17050 1
55 . 1 1 7 7 VAL CB C 13 32.668 0.30 . 1 . . . . 13 VAL CB . 17050 1
56 . 1 1 7 7 VAL CG2 C 13 20.990 0.30 . 1 . . . . 13 VAL CG2 . 17050 1
57 . 1 1 7 7 VAL N N 15 120.600 0.30 . 1 . . . . 13 VAL N . 17050 1
58 . 1 1 8 8 ALA H H 1 8.336 0.03 . 1 . . . . 14 ALA HN . 17050 1
59 . 1 1 8 8 ALA HA H 1 4.307 0.03 . 1 . . . . 14 ALA HA . 17050 1
60 . 1 1 8 8 ALA HB1 H 1 1.349 0.03 . 1 . . . . 14 ALA HB1 . 17050 1
61 . 1 1 8 8 ALA HB2 H 1 1.349 0.03 . 1 . . . . 14 ALA HB1 . 17050 1
62 . 1 1 8 8 ALA HB3 H 1 1.349 0.03 . 1 . . . . 14 ALA HB1 . 17050 1
63 . 1 1 8 8 ALA CA C 13 52.464 0.30 . 1 . . . . 14 ALA CA . 17050 1
64 . 1 1 8 8 ALA CB C 13 19.471 0.30 . 1 . . . . 14 ALA CB . 17050 1
65 . 1 1 8 8 ALA N N 15 128.439 0.30 . 1 . . . . 14 ALA N . 17050 1
66 . 1 1 9 9 ALA H H 1 8.276 0.03 . 1 . . . . 15 ALA HN . 17050 1
67 . 1 1 9 9 ALA HA H 1 4.567 0.03 . 1 . . . . 15 ALA HA . 17050 1
68 . 1 1 9 9 ALA HB1 H 1 1.353 0.03 . 1 . . . . 15 ALA HB1 . 17050 1
69 . 1 1 9 9 ALA HB2 H 1 1.353 0.03 . 1 . . . . 15 ALA HB1 . 17050 1
70 . 1 1 9 9 ALA HB3 H 1 1.353 0.03 . 1 . . . . 15 ALA HB1 . 17050 1
71 . 1 1 9 9 ALA CA C 13 50.180 0.30 . 1 . . . . 15 ALA CA . 17050 1
72 . 1 1 9 9 ALA CB C 13 17.948 0.30 . 1 . . . . 15 ALA CB . 17050 1
73 . 1 1 9 9 ALA N N 15 125.457 0.30 . 1 . . . . 15 ALA N . 17050 1
74 . 1 1 10 10 PRO HA H 1 4.436 0.03 . 1 . . . . 16 PRO HA . 17050 1
75 . 1 1 10 10 PRO HB2 H 1 2.280 0.03 . 2 . . . . 16 PRO HB1 . 17050 1
76 . 1 1 10 10 PRO HB3 H 1 2.280 0.03 . 2 . . . . 16 PRO HB2 . 17050 1
77 . 1 1 10 10 PRO HD2 H 1 3.671 0.03 . 2 . . . . 16 PRO HD1 . 17050 1
78 . 1 1 10 10 PRO HD3 H 1 3.594 0.03 . 2 . . . . 16 PRO HD2 . 17050 1
79 . 1 1 10 10 PRO HG2 H 1 1.919 0.03 . 2 . . . . 16 PRO HG1 . 17050 1
80 . 1 1 10 10 PRO HG3 H 1 1.919 0.03 . 2 . . . . 16 PRO HG2 . 17050 1
81 . 1 1 10 10 PRO CA C 13 62.825 0.30 . 1 . . . . 16 PRO CA . 17050 1
82 . 1 1 10 10 PRO CB C 13 32.055 0.30 . 1 . . . . 16 PRO CB . 17050 1
83 . 1 1 10 10 PRO CD C 13 50.424 0.30 . 1 . . . . 16 PRO CD . 17050 1
84 . 1 1 10 10 PRO CG C 13 27.386 0.30 . 1 . . . . 16 PRO CG . 17050 1
85 . 1 1 11 11 SER H H 1 8.441 0.03 . 1 . . . . 17 SER HN . 17050 1
86 . 1 1 11 11 SER HA H 1 4.450 0.03 . 1 . . . . 17 SER HA . 17050 1
87 . 1 1 11 11 SER HB2 H 1 3.734 0.03 . 2 . . . . 17 SER HB1 . 17050 1
88 . 1 1 11 11 SER HB3 H 1 3.848 0.03 . 2 . . . . 17 SER HB2 . 17050 1
89 . 1 1 11 11 SER CA C 13 56.411 0.30 . 1 . . . . 17 SER CA . 17050 1
90 . 1 1 11 11 SER CB C 13 63.594 0.30 . 1 . . . . 17 SER CB . 17050 1
91 . 1 1 11 11 SER N N 15 117.888 0.30 . 1 . . . . 17 SER N . 17050 1
92 . 1 1 12 12 PRO HA H 1 4.431 0.03 . 1 . . . . 18 PRO HA . 17050 1
93 . 1 1 12 12 PRO HB2 H 1 1.898 0.03 . 2 . . . . 18 PRO HB1 . 17050 1
94 . 1 1 12 12 PRO HB3 H 1 2.289 0.03 . 2 . . . . 18 PRO HB2 . 17050 1
95 . 1 1 12 12 PRO HD2 H 1 3.709 0.03 . 2 . . . . 18 PRO HD1 . 17050 1
96 . 1 1 12 12 PRO HD3 H 1 3.815 0.03 . 2 . . . . 18 PRO HD2 . 17050 1
97 . 1 1 12 12 PRO HG2 H 1 1.919 0.03 . 2 . . . . 18 PRO HG1 . 17050 1
98 . 1 1 12 12 PRO HG3 H 1 1.919 0.03 . 2 . . . . 18 PRO HG2 . 17050 1
99 . 1 1 12 12 PRO CA C 13 63.131 0.30 . 1 . . . . 18 PRO CA . 17050 1
100 . 1 1 12 12 PRO CB C 13 31.907 0.30 . 1 . . . . 18 PRO CB . 17050 1
101 . 1 1 12 12 PRO CD C 13 50.666 0.30 . 1 . . . . 18 PRO CD . 17050 1
102 . 1 1 12 12 PRO CG C 13 27.352 0.30 . 1 . . . . 18 PRO CG . 17050 1
103 . 1 1 13 13 ALA H H 1 8.330 0.03 . 1 . . . . 19 ALA HN . 17050 1
104 . 1 1 13 13 ALA HA H 1 4.309 0.03 . 1 . . . . 19 ALA HA . 17050 1
105 . 1 1 13 13 ALA HB1 H 1 1.352 0.03 . 1 . . . . 19 ALA HB1 . 17050 1
106 . 1 1 13 13 ALA HB2 H 1 1.352 0.03 . 1 . . . . 19 ALA HB1 . 17050 1
107 . 1 1 13 13 ALA HB3 H 1 1.352 0.03 . 1 . . . . 19 ALA HB1 . 17050 1
108 . 1 1 13 13 ALA CA C 13 52.464 0.30 . 1 . . . . 19 ALA CA . 17050 1
109 . 1 1 13 13 ALA CB C 13 19.471 0.30 . 1 . . . . 19 ALA CB . 17050 1
110 . 1 1 13 13 ALA N N 15 124.811 0.30 . 1 . . . . 19 ALA N . 17050 1
111 . 1 1 14 14 VAL H H 1 8.076 0.03 . 1 . . . . 20 VAL HN . 17050 1
112 . 1 1 14 14 VAL HA H 1 4.064 0.03 . 1 . . . . 20 VAL HA . 17050 1
113 . 1 1 14 14 VAL HB H 1 1.922 0.03 . 1 . . . . 20 VAL HB . 17050 1
114 . 1 1 14 14 VAL HG11 H 1 0.838 0.03 . 2 . . . . 20 VAL HG11 . 17050 1
115 . 1 1 14 14 VAL HG12 H 1 0.838 0.03 . 2 . . . . 20 VAL HG11 . 17050 1
116 . 1 1 14 14 VAL HG13 H 1 0.838 0.03 . 2 . . . . 20 VAL HG11 . 17050 1
117 . 1 1 14 14 VAL HG21 H 1 0.696 0.03 . 2 . . . . 20 VAL HG21 . 17050 1
118 . 1 1 14 14 VAL HG22 H 1 0.696 0.03 . 2 . . . . 20 VAL HG21 . 17050 1
119 . 1 1 14 14 VAL HG23 H 1 0.696 0.03 . 2 . . . . 20 VAL HG21 . 17050 1
120 . 1 1 14 14 VAL CA C 13 61.600 0.30 . 1 . . . . 20 VAL CA . 17050 1
121 . 1 1 14 14 VAL CB C 13 32.922 0.30 . 1 . . . . 20 VAL CB . 17050 1
122 . 1 1 14 14 VAL CG1 C 13 20.490 0.30 . 1 . . . . 20 VAL CG1 . 17050 1
123 . 1 1 14 14 VAL CG2 C 13 21.250 0.30 . 1 . . . . 20 VAL CG2 . 17050 1
124 . 1 1 14 14 VAL N N 15 120.317 0.30 . 1 . . . . 20 VAL N . 17050 1
125 . 1 1 15 15 THR H H 1 7.977 0.03 . 1 . . . . 21 THR HN . 17050 1
126 . 1 1 15 15 THR HA H 1 4.439 0.03 . 1 . . . . 21 THR HA . 17050 1
127 . 1 1 15 15 THR HB H 1 4.106 0.03 . 1 . . . . 21 THR HB . 17050 1
128 . 1 1 15 15 THR HG21 H 1 1.116 0.03 . 1 . . . . 21 THR HG21 . 17050 1
129 . 1 1 15 15 THR HG22 H 1 1.116 0.03 . 1 . . . . 21 THR HG21 . 17050 1
130 . 1 1 15 15 THR HG23 H 1 1.116 0.03 . 1 . . . . 21 THR HG21 . 17050 1
131 . 1 1 15 15 THR CA C 13 60.330 0.30 . 1 . . . . 21 THR CA . 17050 1
132 . 1 1 15 15 THR CB C 13 70.483 0.30 . 1 . . . . 21 THR CB . 17050 1
133 . 1 1 15 15 THR CG2 C 13 21.502 0.30 . 1 . . . . 21 THR CG2 . 17050 1
134 . 1 1 15 15 THR N N 15 118.117 0.30 . 1 . . . . 21 THR N . 17050 1
135 . 1 1 16 16 TYR H H 1 8.000 0.03 . 1 . . . . 22 TYR HN . 17050 1
136 . 1 1 16 16 TYR HA H 1 4.722 0.03 . 1 . . . . 22 TYR HA . 17050 1
137 . 1 1 16 16 TYR HB2 H 1 2.061 0.03 . 2 . . . . 22 TYR HB1 . 17050 1
138 . 1 1 16 16 TYR HB3 H 1 2.500 0.03 . 2 . . . . 22 TYR HB2 . 17050 1
139 . 1 1 16 16 TYR HD1 H 1 6.781 0.03 . 3 . . . . 22 TYR HD1 . 17050 1
140 . 1 1 16 16 TYR HE1 H 1 6.414 0.03 . 3 . . . . 22 TYR HE1 . 17050 1
141 . 1 1 16 16 TYR CA C 13 56.779 0.30 . 1 . . . . 22 TYR CA . 17050 1
142 . 1 1 16 16 TYR CB C 13 41.551 0.30 . 1 . . . . 22 TYR CB . 17050 1
143 . 1 1 16 16 TYR CD1 C 13 133.137 0.30 . 3 . . . . 22 TYR CD1 . 17050 1
144 . 1 1 16 16 TYR CE1 C 13 117.113 0.30 . 3 . . . . 22 TYR CE1 . 17050 1
145 . 1 1 16 16 TYR N N 15 120.745 0.30 . 1 . . . . 22 TYR N . 17050 1
146 . 1 1 17 17 ALA H H 1 8.796 0.03 . 1 . . . . 23 ALA HN . 17050 1
147 . 1 1 17 17 ALA HA H 1 4.726 0.03 . 1 . . . . 23 ALA HA . 17050 1
148 . 1 1 17 17 ALA HB1 H 1 1.380 0.03 . 1 . . . . 23 ALA HB1 . 17050 1
149 . 1 1 17 17 ALA HB2 H 1 1.380 0.03 . 1 . . . . 23 ALA HB1 . 17050 1
150 . 1 1 17 17 ALA HB3 H 1 1.380 0.03 . 1 . . . . 23 ALA HB1 . 17050 1
151 . 1 1 17 17 ALA CA C 13 49.670 0.30 . 1 . . . . 23 ALA CA . 17050 1
152 . 1 1 17 17 ALA CB C 13 22.200 0.30 . 1 . . . . 23 ALA CB . 17050 1
153 . 1 1 17 17 ALA N N 15 125.241 0.30 . 1 . . . . 23 ALA N . 17050 1
154 . 1 1 18 18 LEU H H 1 8.155 0.03 . 1 . . . . 24 LEU HN . 17050 1
155 . 1 1 18 18 LEU HA H 1 3.769 0.03 . 1 . . . . 24 LEU HA . 17050 1
156 . 1 1 18 18 LEU HB2 H 1 1.420 0.03 . 2 . . . . 24 LEU HB1 . 17050 1
157 . 1 1 18 18 LEU HB3 H 1 1.705 0.03 . 2 . . . . 24 LEU HB2 . 17050 1
158 . 1 1 18 18 LEU HD11 H 1 0.795 0.03 . 2 . . . . 24 LEU HD11 . 17050 1
159 . 1 1 18 18 LEU HD12 H 1 0.795 0.03 . 2 . . . . 24 LEU HD11 . 17050 1
160 . 1 1 18 18 LEU HD13 H 1 0.795 0.03 . 2 . . . . 24 LEU HD11 . 17050 1
161 . 1 1 18 18 LEU HD21 H 1 0.958 0.03 . 2 . . . . 24 LEU HD21 . 17050 1
162 . 1 1 18 18 LEU HD22 H 1 0.958 0.03 . 2 . . . . 24 LEU HD21 . 17050 1
163 . 1 1 18 18 LEU HD23 H 1 0.958 0.03 . 2 . . . . 24 LEU HD21 . 17050 1
164 . 1 1 18 18 LEU HG H 1 1.757 0.03 . 1 . . . . 24 LEU HG . 17050 1
165 . 1 1 18 18 LEU CA C 13 56.525 0.30 . 1 . . . . 24 LEU CA . 17050 1
166 . 1 1 18 18 LEU CB C 13 41.297 0.30 . 1 . . . . 24 LEU CB . 17050 1
167 . 1 1 18 18 LEU CD1 C 13 23.024 0.30 . 2 . . . . 24 LEU CD1 . 17050 1
168 . 1 1 18 18 LEU CD2 C 13 25.055 0.30 . 2 . . . . 24 LEU CD2 . 17050 1
169 . 1 1 18 18 LEU CG C 13 27.014 0.30 . 1 . . . . 24 LEU CG . 17050 1
170 . 1 1 18 18 LEU N N 15 117.534 0.30 . 1 . . . . 24 LEU N . 17050 1
171 . 1 1 19 19 GLN H H 1 8.943 0.03 . 1 . . . . 25 GLN HN . 17050 1
172 . 1 1 19 19 GLN HA H 1 3.636 0.03 . 1 . . . . 25 GLN HA . 17050 1
173 . 1 1 19 19 GLN HB2 H 1 2.352 0.03 . 2 . . . . 25 GLN HB1 . 17050 1
174 . 1 1 19 19 GLN HB3 H 1 2.352 0.03 . 2 . . . . 25 GLN HB2 . 17050 1
175 . 1 1 19 19 GLN HE21 H 1 6.677 0.03 . 2 . . . . 25 GLN HE21 . 17050 1
176 . 1 1 19 19 GLN HE22 H 1 7.553 0.03 . 2 . . . . 25 GLN HE22 . 17050 1
177 . 1 1 19 19 GLN HG2 H 1 2.218 0.03 . 2 . . . . 25 GLN HG1 . 17050 1
178 . 1 1 19 19 GLN HG3 H 1 2.360 0.03 . 2 . . . . 25 GLN HG2 . 17050 1
179 . 1 1 19 19 GLN CA C 13 57.286 0.30 . 1 . . . . 25 GLN CA . 17050 1
180 . 1 1 19 19 GLN CB C 13 25.308 0.30 . 1 . . . . 25 GLN CB . 17050 1
181 . 1 1 19 19 GLN CG C 13 33.940 0.30 . 1 . . . . 25 GLN CG . 17050 1
182 . 1 1 19 19 GLN N N 15 115.179 0.30 . 1 . . . . 25 GLN N . 17050 1
183 . 1 1 19 19 GLN NE2 N 15 111.341 0.30 . 1 . . . . 25 GLN NE2 . 17050 1
184 . 1 1 20 20 GLU H H 1 7.749 0.03 . 1 . . . . 26 GLU HN . 17050 1
185 . 1 1 20 20 GLU HA H 1 4.184 0.03 . 1 . . . . 26 GLU HA . 17050 1
186 . 1 1 20 20 GLU HB2 H 1 2.067 0.03 . 2 . . . . 26 GLU HB1 . 17050 1
187 . 1 1 20 20 GLU HB3 H 1 2.228 0.03 . 2 . . . . 26 GLU HB2 . 17050 1
188 . 1 1 20 20 GLU HG2 H 1 2.341 0.03 . 2 . . . . 26 GLU HG1 . 17050 1
189 . 1 1 20 20 GLU HG3 H 1 2.341 0.03 . 2 . . . . 26 GLU HG2 . 17050 1
190 . 1 1 20 20 GLU CA C 13 56.531 0.30 . 1 . . . . 26 GLU CA . 17050 1
191 . 1 1 20 20 GLU CB C 13 32.415 0.30 . 1 . . . . 26 GLU CB . 17050 1
192 . 1 1 20 20 GLU CG C 13 35.714 0.30 . 1 . . . . 26 GLU CG . 17050 1
193 . 1 1 20 20 GLU N N 15 122.886 0.30 . 1 . . . . 26 GLU N . 17050 1
194 . 1 1 21 21 ASP H H 1 8.230 0.03 . 1 . . . . 27 ASP HN . 17050 1
195 . 1 1 21 21 ASP HA H 1 5.465 0.03 . 1 . . . . 27 ASP HA . 17050 1
196 . 1 1 21 21 ASP HB2 H 1 2.423 0.03 . 2 . . . . 27 ASP HB1 . 17050 1
197 . 1 1 21 21 ASP HB3 H 1 2.505 0.03 . 2 . . . . 27 ASP HB2 . 17050 1
198 . 1 1 21 21 ASP CA C 13 53.733 0.30 . 1 . . . . 27 ASP CA . 17050 1
199 . 1 1 21 21 ASP CB C 13 41.044 0.30 . 1 . . . . 27 ASP CB . 17050 1
200 . 1 1 21 21 ASP N N 15 127.168 0.30 . 1 . . . . 27 ASP N . 17050 1
201 . 1 1 22 22 VAL H H 1 8.965 0.03 . 1 . . . . 28 VAL HN . 17050 1
202 . 1 1 22 22 VAL HA H 1 4.579 0.03 . 1 . . . . 28 VAL HA . 17050 1
203 . 1 1 22 22 VAL HB H 1 2.182 0.03 . 1 . . . . 28 VAL HB . 17050 1
204 . 1 1 22 22 VAL HG11 H 1 0.360 0.03 . 2 . . . . 28 VAL HG11 . 17050 1
205 . 1 1 22 22 VAL HG12 H 1 0.360 0.03 . 2 . . . . 28 VAL HG11 . 17050 1
206 . 1 1 22 22 VAL HG13 H 1 0.360 0.03 . 2 . . . . 28 VAL HG11 . 17050 1
207 . 1 1 22 22 VAL HG21 H 1 0.772 0.03 . 2 . . . . 28 VAL HG21 . 17050 1
208 . 1 1 22 22 VAL HG22 H 1 0.772 0.03 . 2 . . . . 28 VAL HG21 . 17050 1
209 . 1 1 22 22 VAL HG23 H 1 0.772 0.03 . 2 . . . . 28 VAL HG21 . 17050 1
210 . 1 1 22 22 VAL CA C 13 59.317 0.30 . 1 . . . . 28 VAL CA . 17050 1
211 . 1 1 22 22 VAL CB C 13 35.968 0.30 . 1 . . . . 28 VAL CB . 17050 1
212 . 1 1 22 22 VAL CG1 C 13 18.202 0.30 . 2 . . . . 28 VAL CG1 . 17050 1
213 . 1 1 22 22 VAL CG2 C 13 23.786 0.30 . 2 . . . . 28 VAL CG2 . 17050 1
214 . 1 1 22 22 VAL N N 15 115.821 0.30 . 1 . . . . 28 VAL N . 17050 1
215 . 1 1 23 23 PHE H H 1 8.388 0.03 . 1 . . . . 29 PHE HN . 17050 1
216 . 1 1 23 23 PHE HA H 1 5.584 0.03 . 1 . . . . 29 PHE HA . 17050 1
217 . 1 1 23 23 PHE HB2 H 1 2.714 0.03 . 2 . . . . 29 PHE HB1 . 17050 1
218 . 1 1 23 23 PHE HB3 H 1 2.926 0.03 . 2 . . . . 29 PHE HB2 . 17050 1
219 . 1 1 23 23 PHE HD1 H 1 6.875 0.03 . 3 . . . . 29 PHE HD1 . 17050 1
220 . 1 1 23 23 PHE HE1 H 1 7.232 0.03 . 3 . . . . 29 PHE HE1 . 17050 1
221 . 1 1 23 23 PHE HZ H 1 7.132 0.03 . 1 . . . . 29 PHE HZ . 17050 1
222 . 1 1 23 23 PHE CA C 13 56.525 0.30 . 1 . . . . 29 PHE CA . 17050 1
223 . 1 1 23 23 PHE CB C 13 42.059 0.30 . 1 . . . . 29 PHE CB . 17050 1
224 . 1 1 23 23 PHE CD1 C 13 130.670 0.30 . 3 . . . . 29 PHE CD1 . 17050 1
225 . 1 1 23 23 PHE CE1 C 13 131.900 0.30 . 3 . . . . 29 PHE CE1 . 17050 1
226 . 1 1 23 23 PHE CZ C 13 129.440 0.30 . 1 . . . . 29 PHE CZ . 17050 1
227 . 1 1 23 23 PHE N N 15 116.678 0.30 . 1 . . . . 29 PHE N . 17050 1
228 . 1 1 24 24 ILE H H 1 9.482 0.03 . 1 . . . . 30 ILE HN . 17050 1
229 . 1 1 24 24 ILE HA H 1 5.037 0.03 . 1 . . . . 30 ILE HA . 17050 1
230 . 1 1 24 24 ILE HB H 1 1.915 0.03 . 1 . . . . 30 ILE HB . 17050 1
231 . 1 1 24 24 ILE HD11 H 1 0.650 0.03 . 1 . . . . 30 ILE HD11 . 17050 1
232 . 1 1 24 24 ILE HD12 H 1 0.650 0.03 . 1 . . . . 30 ILE HD11 . 17050 1
233 . 1 1 24 24 ILE HD13 H 1 0.650 0.03 . 1 . . . . 30 ILE HD11 . 17050 1
234 . 1 1 24 24 ILE HG12 H 1 1.191 0.03 . 1 . . . . 30 ILE HG11 . 17050 1
235 . 1 1 24 24 ILE HG13 H 1 1.294 0.03 . 1 . . . . 30 ILE HG12 . 17050 1
236 . 1 1 24 24 ILE HG21 H 1 0.961 0.03 . 1 . . . . 30 ILE HG21 . 17050 1
237 . 1 1 24 24 ILE HG22 H 1 0.961 0.03 . 1 . . . . 30 ILE HG21 . 17050 1
238 . 1 1 24 24 ILE HG23 H 1 0.961 0.03 . 1 . . . . 30 ILE HG21 . 17050 1
239 . 1 1 24 24 ILE CA C 13 58.809 0.30 . 1 . . . . 30 ILE CA . 17050 1
240 . 1 1 24 24 ILE CB C 13 40.790 0.30 . 1 . . . . 30 ILE CB . 17050 1
241 . 1 1 24 24 ILE CD1 C 13 15.664 0.30 . 1 . . . . 30 ILE CD1 . 17050 1
242 . 1 1 24 24 ILE CG1 C 13 28.608 0.30 . 1 . . . . 30 ILE CG1 . 17050 1
243 . 1 1 24 24 ILE CG2 C 13 19.725 0.30 . 1 . . . . 30 ILE CG2 . 17050 1
244 . 1 1 24 24 ILE N N 15 119.247 0.30 . 1 . . . . 30 ILE N . 17050 1
245 . 1 1 25 25 LYS H H 1 9.189 0.03 . 1 . . . . 31 LYS HN . 17050 1
246 . 1 1 25 25 LYS HA H 1 3.983 0.03 . 1 . . . . 31 LYS HA . 17050 1
247 . 1 1 25 25 LYS HB2 H 1 1.272 0.03 . 2 . . . . 31 LYS HB1 . 17050 1
248 . 1 1 25 25 LYS HB3 H 1 1.693 0.03 . 2 . . . . 31 LYS HB2 . 17050 1
249 . 1 1 25 25 LYS HD2 H 1 1.436 0.03 . 2 . . . . 31 LYS HD1 . 17050 1
250 . 1 1 25 25 LYS HD3 H 1 1.436 0.03 . 2 . . . . 31 LYS HD2 . 17050 1
251 . 1 1 25 25 LYS HE2 H 1 2.756 0.03 . 2 . . . . 31 LYS HE1 . 17050 1
252 . 1 1 25 25 LYS HE3 H 1 2.705 0.03 . 2 . . . . 31 LYS HE2 . 17050 1
253 . 1 1 25 25 LYS HG2 H 1 0.540 0.03 . 2 . . . . 31 LYS HG1 . 17050 1
254 . 1 1 25 25 LYS HG3 H 1 1.144 0.03 . 2 . . . . 31 LYS HG2 . 17050 1
255 . 1 1 25 25 LYS CA C 13 55.763 0.30 . 1 . . . . 31 LYS CA . 17050 1
256 . 1 1 25 25 LYS CB C 13 32.188 0.30 . 1 . . . . 31 LYS CB . 17050 1
257 . 1 1 25 25 LYS CD C 13 29.115 0.30 . 1 . . . . 31 LYS CD . 17050 1
258 . 1 1 25 25 LYS CE C 13 41.551 0.30 . 1 . . . . 31 LYS CE . 17050 1
259 . 1 1 25 25 LYS CG C 13 24.547 0.30 . 1 . . . . 31 LYS CG . 17050 1
260 . 1 1 25 25 LYS N N 15 129.095 0.30 . 1 . . . . 31 LYS N . 17050 1
261 . 1 1 26 26 CYS H H 1 8.406 0.03 . 1 . . . . 32 CYS HN . 17050 1
262 . 1 1 26 26 CYS HA H 1 4.706 0.03 . 1 . . . . 32 CYS HA . 17050 1
263 . 1 1 26 26 CYS HB2 H 1 3.088 0.03 . 2 . . . . 32 CYS HB1 . 17050 1
264 . 1 1 26 26 CYS HB3 H 1 2.967 0.03 . 2 . . . . 32 CYS HB2 . 17050 1
265 . 1 1 26 26 CYS CA C 13 59.100 0.30 . 1 . . . . 32 CYS CA . 17050 1
266 . 1 1 26 26 CYS CB C 13 29.370 0.30 . 1 . . . . 32 CYS CB . 17050 1
267 . 1 1 26 26 CYS N N 15 125.884 0.30 . 1 . . . . 32 CYS N . 17050 1
268 . 1 1 27 27 ASN HA H 1 4.385 0.03 . 1 . . . . 33 ASN HA . 17050 1
269 . 1 1 27 27 ASN HB2 H 1 2.856 0.03 . 2 . . . . 33 ASN HB1 . 17050 1
270 . 1 1 27 27 ASN HB3 H 1 2.856 0.03 . 2 . . . . 33 ASN HB2 . 17050 1
271 . 1 1 27 27 ASN HD21 H 1 6.986 0.03 . 2 . . . . 33 ASN HD21 . 17050 1
272 . 1 1 27 27 ASN HD22 H 1 7.605 0.03 . 2 . . . . 33 ASN HD22 . 17050 1
273 . 1 1 27 27 ASN CA C 13 55.510 0.30 . 1 . . . . 33 ASN CA . 17050 1
274 . 1 1 27 27 ASN CB C 13 37.744 0.30 . 1 . . . . 33 ASN CB . 17050 1
275 . 1 1 27 27 ASN ND2 N 15 112.663 0.30 . 1 . . . . 33 ASN ND2 . 17050 1
276 . 1 1 28 28 ASP H H 1 8.045 0.03 . 1 . . . . 34 ASP HN . 17050 1
277 . 1 1 28 28 ASP HA H 1 4.432 0.03 . 1 . . . . 34 ASP HA . 17050 1
278 . 1 1 28 28 ASP HB2 H 1 2.602 0.03 . 2 . . . . 34 ASP HB1 . 17050 1
279 . 1 1 28 28 ASP HB3 H 1 2.967 0.03 . 2 . . . . 34 ASP HB2 . 17050 1
280 . 1 1 28 28 ASP CA C 13 53.479 0.30 . 1 . . . . 34 ASP CA . 17050 1
281 . 1 1 28 28 ASP CB C 13 39.521 0.30 . 1 . . . . 34 ASP CB . 17050 1
282 . 1 1 28 28 ASP N N 15 117.962 0.30 . 1 . . . . 34 ASP N . 17050 1
283 . 1 1 29 29 GLY H H 1 8.238 0.03 . 1 . . . . 35 GLY HN . 17050 1
284 . 1 1 29 29 GLY HA2 H 1 3.452 0.03 . 2 . . . . 35 GLY HA1 . 17050 1
285 . 1 1 29 29 GLY HA3 H 1 4.173 0.03 . 2 . . . . 35 GLY HA2 . 17050 1
286 . 1 1 29 29 GLY CA C 13 45.104 0.30 . 1 . . . . 35 GLY CA . 17050 1
287 . 1 1 29 29 GLY N N 15 108.328 0.30 . 1 . . . . 35 GLY N . 17050 1
288 . 1 1 30 30 ARG H H 1 7.830 0.03 . 1 . . . . 36 ARG HN . 17050 1
289 . 1 1 30 30 ARG HA H 1 4.343 0.03 . 1 . . . . 36 ARG HA . 17050 1
290 . 1 1 30 30 ARG HB2 H 1 1.875 0.03 . 2 . . . . 36 ARG HB1 . 17050 1
291 . 1 1 30 30 ARG HB3 H 1 1.498 0.03 . 2 . . . . 36 ARG HB2 . 17050 1
292 . 1 1 30 30 ARG HD2 H 1 3.024 0.03 . 2 . . . . 36 ARG HD1 . 17050 1
293 . 1 1 30 30 ARG HD3 H 1 3.024 0.03 . 2 . . . . 36 ARG HD2 . 17050 1
294 . 1 1 30 30 ARG HG2 H 1 1.374 0.03 . 2 . . . . 36 ARG HG1 . 17050 1
295 . 1 1 30 30 ARG HG3 H 1 1.374 0.03 . 2 . . . . 36 ARG HG2 . 17050 1
296 . 1 1 30 30 ARG CA C 13 55.002 0.30 . 1 . . . . 36 ARG CA . 17050 1
297 . 1 1 30 30 ARG CB C 13 31.399 0.30 . 1 . . . . 36 ARG CB . 17050 1
298 . 1 1 30 30 ARG CD C 13 43.328 0.30 . 1 . . . . 36 ARG CD . 17050 1
299 . 1 1 30 30 ARG CG C 13 27.593 0.30 . 1 . . . . 36 ARG CG . 17050 1
300 . 1 1 30 30 ARG N N 15 120.960 0.30 . 1 . . . . 36 ARG N . 17050 1
301 . 1 1 31 31 PHE H H 1 8.194 0.03 . 1 . . . . 37 PHE HN . 17050 1
302 . 1 1 31 31 PHE HA H 1 5.412 0.03 . 1 . . . . 37 PHE HA . 17050 1
303 . 1 1 31 31 PHE HB2 H 1 2.528 0.03 . 2 . . . . 37 PHE HB1 . 17050 1
304 . 1 1 31 31 PHE HB3 H 1 2.564 0.03 . 2 . . . . 37 PHE HB2 . 17050 1
305 . 1 1 31 31 PHE HD1 H 1 6.987 0.03 . 3 . . . . 37 PHE HD1 . 17050 1
306 . 1 1 31 31 PHE HE1 H 1 7.228 0.03 . 3 . . . . 37 PHE HE1 . 17050 1
307 . 1 1 31 31 PHE HZ H 1 7.233 0.03 . 1 . . . . 37 PHE HZ . 17050 1
308 . 1 1 31 31 PHE CA C 13 56.779 0.30 . 1 . . . . 37 PHE CA . 17050 1
309 . 1 1 31 31 PHE CB C 13 41.044 0.30 . 1 . . . . 37 PHE CB . 17050 1
310 . 1 1 31 31 PHE CD1 C 13 131.288 0.30 . 3 . . . . 37 PHE CD1 . 17050 1
311 . 1 1 31 31 PHE CE1 C 13 131.290 0.30 . 3 . . . . 37 PHE CE1 . 17050 1
312 . 1 1 31 31 PHE CZ C 13 129.440 0.30 . 1 . . . . 37 PHE CZ . 17050 1
313 . 1 1 31 31 PHE N N 15 117.534 0.30 . 1 . . . . 37 PHE N . 17050 1
314 . 1 1 32 32 TYR H H 1 9.176 0.03 . 1 . . . . 38 TYR HN . 17050 1
315 . 1 1 32 32 TYR HA H 1 4.896 0.03 . 1 . . . . 38 TYR HA . 17050 1
316 . 1 1 32 32 TYR HB2 H 1 2.764 0.03 . 2 . . . . 38 TYR HB1 . 17050 1
317 . 1 1 32 32 TYR HB3 H 1 3.228 0.03 . 2 . . . . 38 TYR HB2 . 17050 1
318 . 1 1 32 32 TYR HD1 H 1 7.156 0.03 . 3 . . . . 38 TYR HD1 . 17050 1
319 . 1 1 32 32 TYR HE1 H 1 6.996 0.03 . 3 . . . . 38 TYR HE1 . 17050 1
320 . 1 1 32 32 TYR CA C 13 56.525 0.30 . 1 . . . . 38 TYR CA . 17050 1
321 . 1 1 32 32 TYR CB C 13 41.805 0.30 . 1 . . . . 38 TYR CB . 17050 1
322 . 1 1 32 32 TYR CD1 C 13 133.750 0.30 . 3 . . . . 38 TYR CD1 . 17050 1
323 . 1 1 32 32 TYR CE1 C 13 117.730 0.30 . 3 . . . . 38 TYR CE1 . 17050 1
324 . 1 1 32 32 TYR N N 15 122.030 0.30 . 1 . . . . 38 TYR N . 17050 1
325 . 1 1 33 33 LEU H H 1 8.799 0.03 . 1 . . . . 39 LEU HN . 17050 1
326 . 1 1 33 33 LEU HA H 1 4.820 0.03 . 1 . . . . 39 LEU HA . 17050 1
327 . 1 1 33 33 LEU HB2 H 1 1.484 0.03 . 2 . . . . 39 LEU HB1 . 17050 1
328 . 1 1 33 33 LEU HB3 H 1 1.718 0.03 . 2 . . . . 39 LEU HB2 . 17050 1
329 . 1 1 33 33 LEU HD11 H 1 0.624 0.03 . 2 . . . . 39 LEU HD11 . 17050 1
330 . 1 1 33 33 LEU HD12 H 1 0.624 0.03 . 2 . . . . 39 LEU HD11 . 17050 1
331 . 1 1 33 33 LEU HD13 H 1 0.624 0.03 . 2 . . . . 39 LEU HD11 . 17050 1
332 . 1 1 33 33 LEU HD21 H 1 0.637 0.03 . 2 . . . . 39 LEU HD21 . 17050 1
333 . 1 1 33 33 LEU HD22 H 1 0.637 0.03 . 2 . . . . 39 LEU HD21 . 17050 1
334 . 1 1 33 33 LEU HD23 H 1 0.637 0.03 . 2 . . . . 39 LEU HD21 . 17050 1
335 . 1 1 33 33 LEU HG H 1 1.462 0.03 . 1 . . . . 39 LEU HG . 17050 1
336 . 1 1 33 33 LEU CA C 13 54.748 0.30 . 1 . . . . 39 LEU CA . 17050 1
337 . 1 1 33 33 LEU CB C 13 43.581 0.30 . 1 . . . . 39 LEU CB . 17050 1
338 . 1 1 33 33 LEU CD1 C 13 24.293 0.30 . 2 . . . . 39 LEU CD1 . 17050 1
339 . 1 1 33 33 LEU CD2 C 13 25.050 0.30 . 1 . . . . 39 LEU CD2 . 17050 1
340 . 1 1 33 33 LEU CG C 13 27.423 0.30 . 1 . . . . 39 LEU CG . 17050 1
341 . 1 1 33 33 LEU N N 15 124.813 0.30 . 1 . . . . 39 LEU N . 17050 1
342 . 1 1 34 34 GLY H H 1 8.860 0.03 . 1 . . . . 40 GLY HN . 17050 1
343 . 1 1 34 34 GLY HA2 H 1 3.066 0.03 . 2 . . . . 40 GLY HA1 . 17050 1
344 . 1 1 34 34 GLY HA3 H 1 4.488 0.03 . 2 . . . . 40 GLY HA2 . 17050 1
345 . 1 1 34 34 GLY CA C 13 44.860 0.30 . 1 . . . . 40 GLY CA . 17050 1
346 . 1 1 34 34 GLY N N 15 112.180 0.30 . 1 . . . . 40 GLY N . 17050 1
347 . 1 1 35 35 THR H H 1 8.108 0.03 . 1 . . . . 41 THR HN . 17050 1
348 . 1 1 35 35 THR HA H 1 5.051 0.03 . 1 . . . . 41 THR HA . 17050 1
349 . 1 1 35 35 THR HB H 1 3.392 0.03 . 1 . . . . 41 THR HB . 17050 1
350 . 1 1 35 35 THR HG21 H 1 0.933 0.03 . 1 . . . . 41 THR HG21 . 17050 1
351 . 1 1 35 35 THR HG22 H 1 0.933 0.03 . 1 . . . . 41 THR HG21 . 17050 1
352 . 1 1 35 35 THR HG23 H 1 0.933 0.03 . 1 . . . . 41 THR HG21 . 17050 1
353 . 1 1 35 35 THR CA C 13 61.098 0.30 . 1 . . . . 41 THR CA . 17050 1
354 . 1 1 35 35 THR CB C 13 72.006 0.30 . 1 . . . . 41 THR CB . 17050 1
355 . 1 1 35 35 THR CG2 C 13 21.248 0.30 . 1 . . . . 41 THR CG2 . 17050 1
356 . 1 1 35 35 THR N N 15 115.821 0.30 . 1 . . . . 41 THR N . 17050 1
357 . 1 1 36 36 ILE H H 1 8.425 0.03 . 1 . . . . 42 ILE HN . 17050 1
358 . 1 1 36 36 ILE HA H 1 4.107 0.03 . 1 . . . . 42 ILE HA . 17050 1
359 . 1 1 36 36 ILE HB H 1 2.092 0.03 . 1 . . . . 42 ILE HB . 17050 1
360 . 1 1 36 36 ILE HD11 H 1 0.409 0.03 . 1 . . . . 42 ILE HD11 . 17050 1
361 . 1 1 36 36 ILE HD12 H 1 0.409 0.03 . 1 . . . . 42 ILE HD11 . 17050 1
362 . 1 1 36 36 ILE HD13 H 1 0.409 0.03 . 1 . . . . 42 ILE HD11 . 17050 1
363 . 1 1 36 36 ILE HG12 H 1 1.574 0.03 . 9 . . . . 42 ILE HG11 . 17050 1
364 . 1 1 36 36 ILE HG13 H 1 0.547 0.03 . 9 . . . . 42 ILE HG12 . 17050 1
365 . 1 1 36 36 ILE HG21 H 1 0.938 0.03 . 1 . . . . 42 ILE HG21 . 17050 1
366 . 1 1 36 36 ILE HG22 H 1 0.938 0.03 . 1 . . . . 42 ILE HG21 . 17050 1
367 . 1 1 36 36 ILE HG23 H 1 0.938 0.03 . 1 . . . . 42 ILE HG21 . 17050 1
368 . 1 1 36 36 ILE CA C 13 62.362 0.30 . 1 . . . . 42 ILE CA . 17050 1
369 . 1 1 36 36 ILE CB C 13 37.998 0.30 . 1 . . . . 42 ILE CB . 17050 1
370 . 1 1 36 36 ILE CD1 C 13 14.649 0.30 . 1 . . . . 42 ILE CD1 . 17050 1
371 . 1 1 36 36 ILE CG1 C 13 28.100 0.30 . 1 . . . . 42 ILE CG1 . 17050 1
372 . 1 1 36 36 ILE CG2 C 13 18.964 0.30 . 1 . . . . 42 ILE CG2 . 17050 1
373 . 1 1 36 36 ILE N N 15 126.526 0.30 . 1 . . . . 42 ILE N . 17050 1
374 . 1 1 37 37 ILE H H 1 9.137 0.03 . 1 . . . . 43 ILE HN . 17050 1
375 . 1 1 37 37 ILE HA H 1 4.686 0.03 . 1 . . . . 43 ILE HA . 17050 1
376 . 1 1 37 37 ILE HB H 1 1.885 0.03 . 1 . . . . 43 ILE HB . 17050 1
377 . 1 1 37 37 ILE HD11 H 1 0.562 0.03 . 1 . . . . 43 ILE HD11 . 17050 1
378 . 1 1 37 37 ILE HD12 H 1 0.562 0.03 . 1 . . . . 43 ILE HD11 . 17050 1
379 . 1 1 37 37 ILE HD13 H 1 0.562 0.03 . 1 . . . . 43 ILE HD11 . 17050 1
380 . 1 1 37 37 ILE HG12 H 1 0.835 0.03 . 1 . . . . 43 ILE HG11 . 17050 1
381 . 1 1 37 37 ILE HG13 H 1 0.757 0.03 . 1 . . . . 43 ILE HG12 . 17050 1
382 . 1 1 37 37 ILE HG21 H 1 0.733 0.03 . 1 . . . . 43 ILE HG21 . 17050 1
383 . 1 1 37 37 ILE HG22 H 1 0.733 0.03 . 1 . . . . 43 ILE HG21 . 17050 1
384 . 1 1 37 37 ILE HG23 H 1 0.733 0.03 . 1 . . . . 43 ILE HG21 . 17050 1
385 . 1 1 37 37 ILE CA C 13 60.586 0.30 . 1 . . . . 43 ILE CA . 17050 1
386 . 1 1 37 37 ILE CB C 13 39.521 0.30 . 1 . . . . 43 ILE CB . 17050 1
387 . 1 1 37 37 ILE CD1 C 13 13.634 0.30 . 1 . . . . 43 ILE CD1 . 17050 1
388 . 1 1 37 37 ILE CG1 C 13 26.094 0.30 . 1 . . . . 43 ILE CG1 . 17050 1
389 . 1 1 37 37 ILE CG2 C 13 17.948 0.30 . 1 . . . . 43 ILE CG2 . 17050 1
390 . 1 1 37 37 ILE N N 15 122.448 0.30 . 1 . . . . 43 ILE N . 17050 1
391 . 1 1 38 38 ASP H H 1 7.970 0.03 . 1 . . . . 44 ASP HN . 17050 1
392 . 1 1 38 38 ASP HA H 1 4.767 0.03 . 1 . . . . 44 ASP HA . 17050 1
393 . 1 1 38 38 ASP HB2 H 1 2.428 0.03 . 2 . . . . 44 ASP HB1 . 17050 1
394 . 1 1 38 38 ASP HB3 H 1 2.653 0.03 . 2 . . . . 44 ASP HB2 . 17050 1
395 . 1 1 38 38 ASP CA C 13 53.226 0.30 . 1 . . . . 44 ASP CA . 17050 1
396 . 1 1 38 38 ASP CB C 13 43.581 0.30 . 1 . . . . 44 ASP CB . 17050 1
397 . 1 1 38 38 ASP N N 15 119.461 0.30 . 1 . . . . 44 ASP N . 17050 1
398 . 1 1 39 39 GLN H H 1 9.702 0.03 . 1 . . . . 45 GLN HN . 17050 1
399 . 1 1 39 39 GLN HA H 1 5.242 0.03 . 1 . . . . 45 GLN HA . 17050 1
400 . 1 1 39 39 GLN HB2 H 1 2.069 0.03 . 2 . . . . 45 GLN HB1 . 17050 1
401 . 1 1 39 39 GLN HB3 H 1 2.069 0.03 . 2 . . . . 45 GLN HB2 . 17050 1
402 . 1 1 39 39 GLN HE21 H 1 6.746 0.03 . 2 . . . . 45 GLN HE21 . 17050 1
403 . 1 1 39 39 GLN HE22 H 1 6.963 0.03 . 2 . . . . 45 GLN HE22 . 17050 1
404 . 1 1 39 39 GLN HG2 H 1 2.234 0.03 . 2 . . . . 45 GLN HG1 . 17050 1
405 . 1 1 39 39 GLN HG3 H 1 2.234 0.03 . 2 . . . . 45 GLN HG2 . 17050 1
406 . 1 1 39 39 GLN CA C 13 55.763 0.30 . 1 . . . . 45 GLN CA . 17050 1
407 . 1 1 39 39 GLN CB C 13 32.415 0.30 . 1 . . . . 45 GLN CB . 17050 1
408 . 1 1 39 39 GLN CG C 13 32.400 0.30 . 1 . . . . 45 GLN CG . 17050 1
409 . 1 1 39 39 GLN N N 15 118.819 0.30 . 1 . . . . 45 GLN N . 17050 1
410 . 1 1 39 39 GLN NE2 N 15 108.975 0.30 . 1 . . . . 45 GLN NE2 . 17050 1
411 . 1 1 40 40 THR H H 1 8.734 0.03 . 1 . . . . 46 THR HN . 17050 1
412 . 1 1 40 40 THR HA H 1 4.698 0.03 . 1 . . . . 46 THR HA . 17050 1
413 . 1 1 40 40 THR HB H 1 4.530 0.03 . 1 . . . . 46 THR HB . 17050 1
414 . 1 1 40 40 THR HG21 H 1 0.997 0.03 . 1 . . . . 46 THR HG21 . 17050 1
415 . 1 1 40 40 THR HG22 H 1 0.997 0.03 . 1 . . . . 46 THR HG21 . 17050 1
416 . 1 1 40 40 THR HG23 H 1 0.997 0.03 . 1 . . . . 46 THR HG21 . 17050 1
417 . 1 1 40 40 THR CA C 13 59.952 0.30 . 1 . . . . 46 THR CA . 17050 1
418 . 1 1 40 40 THR CB C 13 70.700 0.30 . 1 . . . . 46 THR CB . 17050 1
419 . 1 1 40 40 THR CG2 C 13 21.500 0.30 . 1 . . . . 46 THR CG2 . 17050 1
420 . 1 1 40 40 THR N N 15 115.821 0.30 . 1 . . . . 46 THR N . 17050 1
421 . 1 1 41 41 SER H H 1 8.616 0.03 . 1 . . . . 47 SER HN . 17050 1
422 . 1 1 41 41 SER HA H 1 4.139 0.03 . 1 . . . . 47 SER HA . 17050 1
423 . 1 1 41 41 SER HB2 H 1 3.876 0.03 . 2 . . . . 47 SER HB1 . 17050 1
424 . 1 1 41 41 SER HB3 H 1 3.876 0.03 . 2 . . . . 47 SER HB2 . 17050 1
425 . 1 1 41 41 SER CA C 13 61.127 0.30 . 1 . . . . 47 SER CA . 17050 1
426 . 1 1 41 41 SER CB C 13 62.856 0.30 . 1 . . . . 47 SER CB . 17050 1
427 . 1 1 41 41 SER N N 15 114.751 0.30 . 1 . . . . 47 SER N . 17050 1
428 . 1 1 42 42 ASP H H 1 8.019 0.03 . 1 . . . . 48 ASP HN . 17050 1
429 . 1 1 42 42 ASP HA H 1 4.718 0.03 . 1 . . . . 48 ASP HA . 17050 1
430 . 1 1 42 42 ASP HB2 H 1 2.632 0.03 . 2 . . . . 48 ASP HB1 . 17050 1
431 . 1 1 42 42 ASP HB3 H 1 2.632 0.03 . 2 . . . . 48 ASP HB2 . 17050 1
432 . 1 1 42 42 ASP CA C 13 53.987 0.30 . 1 . . . . 48 ASP CA . 17050 1
433 . 1 1 42 42 ASP CB C 13 42.820 0.30 . 1 . . . . 48 ASP CB . 17050 1
434 . 1 1 42 42 ASP N N 15 116.464 0.30 . 1 . . . . 48 ASP N . 17050 1
435 . 1 1 43 43 GLN H H 1 7.456 0.03 . 1 . . . . 49 GLN HN . 17050 1
436 . 1 1 43 43 GLN HA H 1 4.881 0.03 . 1 . . . . 49 GLN HA . 17050 1
437 . 1 1 43 43 GLN HB2 H 1 1.912 0.03 . 2 . . . . 49 GLN HB1 . 17050 1
438 . 1 1 43 43 GLN HB3 H 1 2.292 0.03 . 2 . . . . 49 GLN HB2 . 17050 1
439 . 1 1 43 43 GLN HG2 H 1 2.119 0.03 . 2 . . . . 49 GLN HG1 . 17050 1
440 . 1 1 43 43 GLN HG3 H 1 2.192 0.03 . 2 . . . . 49 GLN HG2 . 17050 1
441 . 1 1 43 43 GLN CA C 13 55.002 0.30 . 1 . . . . 49 GLN CA . 17050 1
442 . 1 1 43 43 GLN CB C 13 35.968 0.30 . 1 . . . . 49 GLN CB . 17050 1
443 . 1 1 43 43 GLN CG C 13 34.699 0.30 . 1 . . . . 49 GLN CG . 17050 1
444 . 1 1 43 43 GLN N N 15 115.393 0.30 . 1 . . . . 49 GLN N . 17050 1
445 . 1 1 44 44 TYR H H 1 8.970 0.03 . 1 . . . . 50 TYR HN . 17050 1
446 . 1 1 44 44 TYR HA H 1 4.979 0.03 . 1 . . . . 50 TYR HA . 17050 1
447 . 1 1 44 44 TYR HB2 H 1 2.453 0.03 . 2 . . . . 50 TYR HB1 . 17050 1
448 . 1 1 44 44 TYR HB3 H 1 2.771 0.03 . 2 . . . . 50 TYR HB2 . 17050 1
449 . 1 1 44 44 TYR HD1 H 1 6.900 0.03 . 3 . . . . 50 TYR HD1 . 17050 1
450 . 1 1 44 44 TYR HE1 H 1 6.773 0.03 . 3 . . . . 50 TYR HE1 . 17050 1
451 . 1 1 44 44 TYR CA C 13 57.286 0.30 . 1 . . . . 50 TYR CA . 17050 1
452 . 1 1 44 44 TYR CB C 13 42.566 0.30 . 1 . . . . 50 TYR CB . 17050 1
453 . 1 1 44 44 TYR CD1 C 13 133.137 0.30 . 3 . . . . 50 TYR CD1 . 17050 1
454 . 1 1 44 44 TYR CE1 C 13 117.729 0.30 . 3 . . . . 50 TYR CE1 . 17050 1
455 . 1 1 44 44 TYR N N 15 117.320 0.30 . 1 . . . . 50 TYR N . 17050 1
456 . 1 1 45 45 LEU H H 1 8.164 0.03 . 1 . . . . 51 LEU HN . 17050 1
457 . 1 1 45 45 LEU HA H 1 3.731 0.03 . 1 . . . . 51 LEU HA . 17050 1
458 . 1 1 45 45 LEU HB2 H 1 0.865 0.03 . 2 . . . . 51 LEU HB1 . 17050 1
459 . 1 1 45 45 LEU HB3 H 1 -1.470 0.03 . 2 . . . . 51 LEU HB2 . 17050 1
460 . 1 1 45 45 LEU HD11 H 1 -0.531 0.03 . 2 . . . . 51 LEU HD11 . 17050 1
461 . 1 1 45 45 LEU HD12 H 1 -0.531 0.03 . 2 . . . . 51 LEU HD11 . 17050 1
462 . 1 1 45 45 LEU HD13 H 1 -0.531 0.03 . 2 . . . . 51 LEU HD11 . 17050 1
463 . 1 1 45 45 LEU HD21 H 1 0.399 0.03 . 2 . . . . 51 LEU HD21 . 17050 1
464 . 1 1 45 45 LEU HD22 H 1 0.399 0.03 . 2 . . . . 51 LEU HD21 . 17050 1
465 . 1 1 45 45 LEU HD23 H 1 0.399 0.03 . 2 . . . . 51 LEU HD21 . 17050 1
466 . 1 1 45 45 LEU HG H 1 0.547 0.03 . 1 . . . . 51 LEU HG . 17050 1
467 . 1 1 45 45 LEU CA C 13 53.733 0.30 . 1 . . . . 51 LEU CA . 17050 1
468 . 1 1 45 45 LEU CB C 13 40.282 0.30 . 1 . . . . 51 LEU CB . 17050 1
469 . 1 1 45 45 LEU CD1 C 13 19.729 0.30 . 1 . . . . 51 LEU CD1 . 17050 1
470 . 1 1 45 45 LEU CD2 C 13 25.314 0.30 . 1 . . . . 51 LEU CD2 . 17050 1
471 . 1 1 45 45 LEU CG C 13 25.816 0.30 . 1 . . . . 51 LEU CG . 17050 1
472 . 1 1 45 45 LEU N N 15 127.597 0.30 . 1 . . . . 51 LEU N . 17050 1
473 . 1 1 46 46 ILE H H 1 8.380 0.03 . 1 . . . . 52 ILE HN . 17050 1
474 . 1 1 46 46 ILE HA H 1 4.410 0.03 . 1 . . . . 52 ILE HA . 17050 1
475 . 1 1 46 46 ILE HB H 1 1.700 0.03 . 1 . . . . 52 ILE HB . 17050 1
476 . 1 1 46 46 ILE HD11 H 1 0.300 0.03 . 1 . . . . 52 ILE HD11 . 17050 1
477 . 1 1 46 46 ILE HD12 H 1 0.300 0.03 . 1 . . . . 52 ILE HD11 . 17050 1
478 . 1 1 46 46 ILE HD13 H 1 0.300 0.03 . 1 . . . . 52 ILE HD11 . 17050 1
479 . 1 1 46 46 ILE HG12 H 1 1.041 0.03 . 9 . . . . 52 ILE HG11 . 17050 1
480 . 1 1 46 46 ILE HG13 H 1 1.361 0.03 . 9 . . . . 52 ILE HG12 . 17050 1
481 . 1 1 46 46 ILE HG21 H 1 -0.194 0.03 . 1 . . . . 52 ILE HG21 . 17050 1
482 . 1 1 46 46 ILE HG22 H 1 -0.194 0.03 . 1 . . . . 52 ILE HG21 . 17050 1
483 . 1 1 46 46 ILE HG23 H 1 -0.194 0.03 . 1 . . . . 52 ILE HG21 . 17050 1
484 . 1 1 46 46 ILE CA C 13 56.779 0.30 . 1 . . . . 52 ILE CA . 17050 1
485 . 1 1 46 46 ILE CB C 13 37.744 0.30 . 1 . . . . 52 ILE CB . 17050 1
486 . 1 1 46 46 ILE CD1 C 13 12.111 0.30 . 1 . . . . 52 ILE CD1 . 17050 1
487 . 1 1 46 46 ILE CG1 C 13 27.593 0.30 . 1 . . . . 52 ILE CG1 . 17050 1
488 . 1 1 46 46 ILE CG2 C 13 17.187 0.30 . 1 . . . . 52 ILE CG2 . 17050 1
489 . 1 1 46 46 ILE N N 15 128.881 0.30 . 1 . . . . 52 ILE N . 17050 1
490 . 1 1 47 47 ARG H H 1 8.708 0.03 . 1 . . . . 53 ARG HN . 17050 1
491 . 1 1 47 47 ARG HA H 1 5.069 0.03 . 1 . . . . 53 ARG HA . 17050 1
492 . 1 1 47 47 ARG HB2 H 1 1.496 0.03 . 2 . . . . 53 ARG HB1 . 17050 1
493 . 1 1 47 47 ARG HB3 H 1 1.590 0.03 . 2 . . . . 53 ARG HB2 . 17050 1
494 . 1 1 47 47 ARG HD2 H 1 3.229 0.03 . 2 . . . . 53 ARG HD1 . 17050 1
495 . 1 1 47 47 ARG HD3 H 1 3.134 0.03 . 2 . . . . 53 ARG HD2 . 17050 1
496 . 1 1 47 47 ARG HG2 H 1 1.500 0.03 . 2 . . . . 53 ARG HG1 . 17050 1
497 . 1 1 47 47 ARG HG3 H 1 1.775 0.03 . 2 . . . . 53 ARG HG2 . 17050 1
498 . 1 1 47 47 ARG CA C 13 53.733 0.30 . 1 . . . . 53 ARG CA . 17050 1
499 . 1 1 47 47 ARG CB C 13 32.922 0.30 . 1 . . . . 53 ARG CB . 17050 1
500 . 1 1 47 47 ARG CD C 13 43.581 0.30 . 1 . . . . 53 ARG CD . 17050 1
501 . 1 1 47 47 ARG CG C 13 26.822 0.30 . 1 . . . . 53 ARG CG . 17050 1
502 . 1 1 47 47 ARG N N 15 125.241 0.30 . 1 . . . . 53 ARG N . 17050 1
503 . 1 1 48 48 PHE H H 1 8.979 0.03 . 1 . . . . 54 PHE HN . 17050 1
504 . 1 1 48 48 PHE HA H 1 4.819 0.03 . 1 . . . . 54 PHE HA . 17050 1
505 . 1 1 48 48 PHE HB2 H 1 3.023 0.03 . 2 . . . . 54 PHE HB1 . 17050 1
506 . 1 1 48 48 PHE HB3 H 1 3.342 0.03 . 2 . . . . 54 PHE HB2 . 17050 1
507 . 1 1 48 48 PHE HD1 H 1 7.224 0.03 . 3 . . . . 54 PHE HD1 . 17050 1
508 . 1 1 48 48 PHE HE1 H 1 6.901 0.03 . 3 . . . . 54 PHE HE1 . 17050 1
509 . 1 1 48 48 PHE HZ H 1 6.832 0.03 . 1 . . . . 54 PHE HZ . 17050 1
510 . 1 1 48 48 PHE CA C 13 58.048 0.30 . 1 . . . . 54 PHE CA . 17050 1
511 . 1 1 48 48 PHE CB C 13 40.282 0.30 . 1 . . . . 54 PHE CB . 17050 1
512 . 1 1 48 48 PHE CD1 C 13 131.900 0.30 . 3 . . . . 54 PHE CD1 . 17050 1
513 . 1 1 48 48 PHE CE1 C 13 130.670 0.30 . 3 . . . . 54 PHE CE1 . 17050 1
514 . 1 1 48 48 PHE CZ C 13 128.210 0.30 . 1 . . . . 54 PHE CZ . 17050 1
515 . 1 1 48 48 PHE N N 15 128.453 0.30 . 1 . . . . 54 PHE N . 17050 1
516 . 1 1 49 49 ASP H H 1 9.073 0.03 . 1 . . . . 55 ASP HN . 17050 1
517 . 1 1 49 49 ASP HA H 1 4.367 0.03 . 1 . . . . 55 ASP HA . 17050 1
518 . 1 1 49 49 ASP HB2 H 1 2.875 0.03 . 2 . . . . 55 ASP HB1 . 17050 1
519 . 1 1 49 49 ASP HB3 H 1 2.754 0.03 . 2 . . . . 55 ASP HB2 . 17050 1
520 . 1 1 49 49 ASP CA C 13 57.032 0.30 . 1 . . . . 55 ASP CA . 17050 1
521 . 1 1 49 49 ASP CB C 13 40.790 0.30 . 1 . . . . 55 ASP CB . 17050 1
522 . 1 1 49 49 ASP N N 15 121.602 0.30 . 1 . . . . 55 ASP N . 17050 1
523 . 1 1 50 50 ASP H H 1 7.857 0.03 . 1 . . . . 56 ASP HN . 17050 1
524 . 1 1 50 50 ASP HA H 1 4.552 0.03 . 1 . . . . 56 ASP HA . 17050 1
525 . 1 1 50 50 ASP HB2 H 1 2.615 0.03 . 2 . . . . 56 ASP HB1 . 17050 1
526 . 1 1 50 50 ASP HB3 H 1 3.057 0.03 . 2 . . . . 56 ASP HB2 . 17050 1
527 . 1 1 50 50 ASP CA C 13 53.226 0.30 . 1 . . . . 56 ASP CA . 17050 1
528 . 1 1 50 50 ASP CB C 13 39.521 0.30 . 1 . . . . 56 ASP CB . 17050 1
529 . 1 1 50 50 ASP N N 15 117.748 0.30 . 1 . . . . 56 ASP N . 17050 1
530 . 1 1 51 51 GLN H H 1 8.387 0.03 . 1 . . . . 57 GLN HN . 17050 1
531 . 1 1 51 51 GLN HA H 1 3.757 0.03 . 1 . . . . 57 GLN HA . 17050 1
532 . 1 1 51 51 GLN HB2 H 1 2.295 0.03 . 2 . . . . 57 GLN HB1 . 17050 1
533 . 1 1 51 51 GLN HB3 H 1 2.545 0.03 . 2 . . . . 57 GLN HB2 . 17050 1
534 . 1 1 51 51 GLN HE21 H 1 6.680 0.03 . 2 . . . . 57 GLN HE21 . 17050 1
535 . 1 1 51 51 GLN HE22 H 1 7.349 0.03 . 2 . . . . 57 GLN HE22 . 17050 1
536 . 1 1 51 51 GLN HG2 H 1 2.220 0.03 . 2 . . . . 57 GLN HG1 . 17050 1
537 . 1 1 51 51 GLN HG3 H 1 2.337 0.03 . 2 . . . . 57 GLN HG2 . 17050 1
538 . 1 1 51 51 GLN CA C 13 57.794 0.30 . 1 . . . . 57 GLN CA . 17050 1
539 . 1 1 51 51 GLN CB C 13 26.324 0.30 . 1 . . . . 57 GLN CB . 17050 1
540 . 1 1 51 51 GLN CG C 13 34.190 0.30 . 1 . . . . 57 GLN CG . 17050 1
541 . 1 1 51 51 GLN N N 15 111.753 0.30 . 1 . . . . 57 GLN N . 17050 1
542 . 1 1 51 51 GLN NE2 N 15 113.573 0.30 . 1 . . . . 57 GLN NE2 . 17050 1
543 . 1 1 52 52 SER H H 1 8.425 0.03 . 1 . . . . 58 SER HN . 17050 1
544 . 1 1 52 52 SER HA H 1 4.378 0.03 . 1 . . . . 58 SER HA . 17050 1
545 . 1 1 52 52 SER HB2 H 1 3.885 0.03 . 2 . . . . 58 SER HB1 . 17050 1
546 . 1 1 52 52 SER HB3 H 1 3.885 0.03 . 2 . . . . 58 SER HB2 . 17050 1
547 . 1 1 52 52 SER CA C 13 59.060 0.30 . 1 . . . . 58 SER CA . 17050 1
548 . 1 1 52 52 SER CB C 13 64.139 0.30 . 1 . . . . 58 SER CB . 17050 1
549 . 1 1 52 52 SER N N 15 118.250 0.30 . 1 . . . . 58 SER N . 17050 1
550 . 1 1 53 53 GLU H H 1 8.276 0.03 . 1 . . . . 59 GLU HN . 17050 1
551 . 1 1 53 53 GLU HA H 1 5.796 0.03 . 1 . . . . 59 GLU HA . 17050 1
552 . 1 1 53 53 GLU HB2 H 1 1.649 0.03 . 2 . . . . 59 GLU HB1 . 17050 1
553 . 1 1 53 53 GLU HB3 H 1 1.919 0.03 . 2 . . . . 59 GLU HB2 . 17050 1
554 . 1 1 53 53 GLU HG2 H 1 1.899 0.03 . 2 . . . . 59 GLU HG1 . 17050 1
555 . 1 1 53 53 GLU HG3 H 1 2.186 0.03 . 2 . . . . 59 GLU HG2 . 17050 1
556 . 1 1 53 53 GLU CA C 13 54.000 0.30 . 1 . . . . 59 GLU CA . 17050 1
557 . 1 1 53 53 GLU CB C 13 32.668 0.30 . 1 . . . . 59 GLU CB . 17050 1
558 . 1 1 53 53 GLU CG C 13 35.968 0.30 . 1 . . . . 59 GLU CG . 17050 1
559 . 1 1 53 53 GLU N N 15 118.819 0.30 . 1 . . . . 59 GLU N . 17050 1
560 . 1 1 54 54 GLN H H 1 8.806 0.03 . 1 . . . . 60 GLN HN . 17050 1
561 . 1 1 54 54 GLN HA H 1 4.641 0.03 . 1 . . . . 60 GLN HA . 17050 1
562 . 1 1 54 54 GLN HB2 H 1 1.923 0.03 . 2 . . . . 60 GLN HB1 . 17050 1
563 . 1 1 54 54 GLN HB3 H 1 2.040 0.03 . 2 . . . . 60 GLN HB2 . 17050 1
564 . 1 1 54 54 GLN HG2 H 1 2.311 0.03 . 2 . . . . 60 GLN HG1 . 17050 1
565 . 1 1 54 54 GLN HG3 H 1 2.345 0.03 . 2 . . . . 60 GLN HG2 . 17050 1
566 . 1 1 54 54 GLN CA C 13 54.748 0.30 . 1 . . . . 60 GLN CA . 17050 1
567 . 1 1 54 54 GLN CB C 13 33.937 0.30 . 1 . . . . 60 GLN CB . 17050 1
568 . 1 1 54 54 GLN CG C 13 34.191 0.30 . 1 . . . . 60 GLN CG . 17050 1
569 . 1 1 54 54 GLN N N 15 120.317 0.30 . 1 . . . . 60 GLN N . 17050 1
570 . 1 1 55 55 TRP H H 1 9.013 0.03 . 1 . . . . 61 TRP HN . 17050 1
571 . 1 1 55 55 TRP HA H 1 5.082 0.03 . 1 . . . . 61 TRP HA . 17050 1
572 . 1 1 55 55 TRP HB2 H 1 3.033 0.03 . 2 . . . . 61 TRP HB1 . 17050 1
573 . 1 1 55 55 TRP HB3 H 1 3.107 0.03 . 2 . . . . 61 TRP HB2 . 17050 1
574 . 1 1 55 55 TRP HD1 H 1 7.280 0.03 . 1 . . . . 61 TRP HD1 . 17050 1
575 . 1 1 55 55 TRP HE1 H 1 10.240 0.03 . 1 . . . . 61 TRP HE1 . 17050 1
576 . 1 1 55 55 TRP HE3 H 1 7.141 0.03 . 1 . . . . 61 TRP HE3 . 17050 1
577 . 1 1 55 55 TRP HH2 H 1 6.865 0.03 . 1 . . . . 61 TRP HH2 . 17050 1
578 . 1 1 55 55 TRP HZ2 H 1 7.446 0.03 . 1 . . . . 61 TRP HZ2 . 17050 1
579 . 1 1 55 55 TRP HZ3 H 1 6.677 0.03 . 1 . . . . 61 TRP HZ3 . 17050 1
580 . 1 1 55 55 TRP CA C 13 57.286 0.30 . 1 . . . . 61 TRP CA . 17050 1
581 . 1 1 55 55 TRP CB C 13 29.139 0.30 . 1 . . . . 61 TRP CB . 17050 1
582 . 1 1 55 55 TRP CD1 C 13 127.590 0.30 . 1 . . . . 61 TRP CD1 . 17050 1
583 . 1 1 55 55 TRP CE3 C 13 120.190 0.30 . 1 . . . . 61 TRP CE3 . 17050 1
584 . 1 1 55 55 TRP CH2 C 13 123.890 0.30 . 1 . . . . 61 TRP CH2 . 17050 1
585 . 1 1 55 55 TRP CZ2 C 13 115.260 0.30 . 1 . . . . 61 TRP CZ2 . 17050 1
586 . 1 1 55 55 TRP CZ3 C 13 122.040 0.30 . 1 . . . . 61 TRP CZ3 . 17050 1
587 . 1 1 55 55 TRP N N 15 127.597 0.30 . 1 . . . . 61 TRP N . 17050 1
588 . 1 1 55 55 TRP NE1 N 15 130.170 0.30 . 1 . . . . 61 TRP NE1 . 17050 1
589 . 1 1 56 56 CYS H H 1 9.996 0.03 . 1 . . . . 62 CYS HN . 17050 1
590 . 1 1 56 56 CYS HA H 1 4.953 0.03 . 1 . . . . 62 CYS HA . 17050 1
591 . 1 1 56 56 CYS HB2 H 1 2.675 0.03 . 2 . . . . 62 CYS HB1 . 17050 1
592 . 1 1 56 56 CYS HB3 H 1 2.735 0.03 . 2 . . . . 62 CYS HB2 . 17050 1
593 . 1 1 56 56 CYS CA C 13 58.301 0.30 . 1 . . . . 62 CYS CA . 17050 1
594 . 1 1 56 56 CYS CB C 13 32.161 0.30 . 1 . . . . 62 CYS CB . 17050 1
595 . 1 1 56 56 CYS N N 15 121.388 0.30 . 1 . . . . 62 CYS N . 17050 1
596 . 1 1 57 57 GLU H H 1 8.945 0.03 . 1 . . . . 63 GLU HN . 17050 1
597 . 1 1 57 57 GLU HA H 1 4.799 0.03 . 1 . . . . 63 GLU HA . 17050 1
598 . 1 1 57 57 GLU HB2 H 1 2.394 0.03 . 2 . . . . 63 GLU HB1 . 17050 1
599 . 1 1 57 57 GLU HB3 H 1 2.159 0.03 . 2 . . . . 63 GLU HB2 . 17050 1
600 . 1 1 57 57 GLU HG2 H 1 2.570 0.03 . 2 . . . . 63 GLU HG1 . 17050 1
601 . 1 1 57 57 GLU HG3 H 1 2.467 0.03 . 2 . . . . 63 GLU HG2 . 17050 1
602 . 1 1 57 57 GLU CA C 13 55.256 0.30 . 1 . . . . 63 GLU CA . 17050 1
603 . 1 1 57 57 GLU CB C 13 28.608 0.30 . 1 . . . . 63 GLU CB . 17050 1
604 . 1 1 57 57 GLU CG C 13 36.983 0.30 . 1 . . . . 63 GLU CG . 17050 1
605 . 1 1 57 57 GLU N N 15 123.743 0.30 . 1 . . . . 63 GLU N . 17050 1
606 . 1 1 58 58 PRO HA H 1 4.245 0.03 . 1 . . . . 64 PRO HA . 17050 1
607 . 1 1 58 58 PRO HB2 H 1 2.273 0.03 . 2 . . . . 64 PRO HB1 . 17050 1
608 . 1 1 58 58 PRO HB3 H 1 2.683 0.03 . 2 . . . . 64 PRO HB2 . 17050 1
609 . 1 1 58 58 PRO HD2 H 1 3.997 0.03 . 2 . . . . 64 PRO HD1 . 17050 1
610 . 1 1 58 58 PRO HD3 H 1 4.199 0.03 . 2 . . . . 64 PRO HD2 . 17050 1
611 . 1 1 58 58 PRO HG2 H 1 2.118 0.03 . 2 . . . . 64 PRO HG1 . 17050 1
612 . 1 1 58 58 PRO HG3 H 1 2.352 0.03 . 2 . . . . 64 PRO HG2 . 17050 1
613 . 1 1 58 58 PRO CA C 13 65.408 0.30 . 1 . . . . 64 PRO CA . 17050 1
614 . 1 1 58 58 PRO CB C 13 32.141 0.30 . 1 . . . . 64 PRO CB . 17050 1
615 . 1 1 58 58 PRO CD C 13 50.688 0.30 . 1 . . . . 64 PRO CD . 17050 1
616 . 1 1 58 58 PRO CG C 13 28.100 0.30 . 1 . . . . 64 PRO CG . 17050 1
617 . 1 1 59 59 ASP H H 1 8.338 0.03 . 1 . . . . 65 ASP HN . 17050 1
618 . 1 1 59 59 ASP HA H 1 4.538 0.03 . 1 . . . . 65 ASP HA . 17050 1
619 . 1 1 59 59 ASP HB2 H 1 2.717 0.03 . 2 . . . . 65 ASP HB1 . 17050 1
620 . 1 1 59 59 ASP HB3 H 1 2.849 0.03 . 2 . . . . 65 ASP HB2 . 17050 1
621 . 1 1 59 59 ASP CA C 13 55.763 0.30 . 1 . . . . 65 ASP CA . 17050 1
622 . 1 1 59 59 ASP CB C 13 39.775 0.30 . 1 . . . . 65 ASP CB . 17050 1
623 . 1 1 59 59 ASP N N 15 113.680 0.30 . 1 . . . . 65 ASP N . 17050 1
624 . 1 1 60 60 LYS H H 1 7.916 0.03 . 1 . . . . 66 LYS HN . 17050 1
625 . 1 1 60 60 LYS HA H 1 4.371 0.03 . 1 . . . . 66 LYS HA . 17050 1
626 . 1 1 60 60 LYS HB2 H 1 1.960 0.03 . 2 . . . . 66 LYS HB1 . 17050 1
627 . 1 1 60 60 LYS HB3 H 1 2.335 0.03 . 2 . . . . 66 LYS HB2 . 17050 1
628 . 1 1 60 60 LYS HD2 H 1 1.723 0.03 . 2 . . . . 66 LYS HD1 . 17050 1
629 . 1 1 60 60 LYS HD3 H 1 1.723 0.03 . 2 . . . . 66 LYS HD2 . 17050 1
630 . 1 1 60 60 LYS HE2 H 1 3.095 0.03 . 2 . . . . 66 LYS HE1 . 17050 1
631 . 1 1 60 60 LYS HE3 H 1 3.095 0.03 . 2 . . . . 66 LYS HE2 . 17050 1
632 . 1 1 60 60 LYS HG2 H 1 1.606 0.03 . 2 . . . . 66 LYS HG1 . 17050 1
633 . 1 1 60 60 LYS HG3 H 1 1.699 0.03 . 2 . . . . 66 LYS HG2 . 17050 1
634 . 1 1 60 60 LYS CA C 13 55.763 0.30 . 1 . . . . 66 LYS CA . 17050 1
635 . 1 1 60 60 LYS CB C 13 32.668 0.30 . 1 . . . . 66 LYS CB . 17050 1
636 . 1 1 60 60 LYS CD C 13 28.354 0.30 . 1 . . . . 66 LYS CD . 17050 1
637 . 1 1 60 60 LYS CE C 13 42.059 0.30 . 1 . . . . 66 LYS CE . 17050 1
638 . 1 1 60 60 LYS CG C 13 25.562 0.30 . 1 . . . . 66 LYS CG . 17050 1
639 . 1 1 60 60 LYS N N 15 118.176 0.30 . 1 . . . . 66 LYS N . 17050 1
640 . 1 1 61 61 LEU H H 1 7.355 0.03 . 1 . . . . 67 LEU HN . 17050 1
641 . 1 1 61 61 LEU HA H 1 5.073 0.03 . 1 . . . . 67 LEU HA . 17050 1
642 . 1 1 61 61 LEU HB2 H 1 0.906 0.03 . 2 . . . . 67 LEU HB1 . 17050 1
643 . 1 1 61 61 LEU HB3 H 1 1.430 0.03 . 2 . . . . 67 LEU HB2 . 17050 1
644 . 1 1 61 61 LEU HD11 H 1 0.151 0.03 . 2 . . . . 67 LEU HD11 . 17050 1
645 . 1 1 61 61 LEU HD12 H 1 0.151 0.03 . 2 . . . . 67 LEU HD11 . 17050 1
646 . 1 1 61 61 LEU HD13 H 1 0.151 0.03 . 2 . . . . 67 LEU HD11 . 17050 1
647 . 1 1 61 61 LEU HD21 H 1 -0.056 0.03 . 2 . . . . 67 LEU HD21 . 17050 1
648 . 1 1 61 61 LEU HD22 H 1 -0.056 0.03 . 2 . . . . 67 LEU HD21 . 17050 1
649 . 1 1 61 61 LEU HD23 H 1 -0.056 0.03 . 2 . . . . 67 LEU HD21 . 17050 1
650 . 1 1 61 61 LEU HG H 1 1.348 0.03 . 1 . . . . 67 LEU HG . 17050 1
651 . 1 1 61 61 LEU CA C 13 55.002 0.30 . 1 . . . . 67 LEU CA . 17050 1
652 . 1 1 61 61 LEU CB C 13 43.835 0.30 . 1 . . . . 67 LEU CB . 17050 1
653 . 1 1 61 61 LEU CD1 C 13 25.054 0.30 . 1 . . . . 67 LEU CD1 . 17050 1
654 . 1 1 61 61 LEU CD2 C 13 24.801 0.30 . 1 . . . . 67 LEU CD2 . 17050 1
655 . 1 1 61 61 LEU CG C 13 28.862 0.30 . 1 . . . . 67 LEU CG . 17050 1
656 . 1 1 61 61 LEU N N 15 119.461 0.30 . 1 . . . . 67 LEU N . 17050 1
657 . 1 1 62 62 ARG H H 1 8.900 0.03 . 1 . . . . 68 ARG HN . 17050 1
658 . 1 1 62 62 ARG HA H 1 4.711 0.03 . 1 . . . . 68 ARG HA . 17050 1
659 . 1 1 62 62 ARG HB2 H 1 1.802 0.03 . 2 . . . . 68 ARG HB1 . 17050 1
660 . 1 1 62 62 ARG HB3 H 1 1.701 0.03 . 2 . . . . 68 ARG HB2 . 17050 1
661 . 1 1 62 62 ARG HD2 H 1 2.922 0.03 . 2 . . . . 68 ARG HD1 . 17050 1
662 . 1 1 62 62 ARG HD3 H 1 3.160 0.03 . 2 . . . . 68 ARG HD2 . 17050 1
663 . 1 1 62 62 ARG HG2 H 1 1.569 0.03 . 2 . . . . 68 ARG HG1 . 17050 1
664 . 1 1 62 62 ARG HG3 H 1 1.675 0.03 . 2 . . . . 68 ARG HG2 . 17050 1
665 . 1 1 62 62 ARG CA C 13 54.241 0.30 . 1 . . . . 68 ARG CA . 17050 1
666 . 1 1 62 62 ARG CB C 13 33.937 0.30 . 1 . . . . 68 ARG CB . 17050 1
667 . 1 1 62 62 ARG CD C 13 43.074 0.30 . 1 . . . . 68 ARG CD . 17050 1
668 . 1 1 62 62 ARG CG C 13 26.831 0.30 . 1 . . . . 68 ARG CG . 17050 1
669 . 1 1 62 62 ARG N N 15 119.889 0.30 . 1 . . . . 68 ARG N . 17050 1
670 . 1 1 63 63 LYS H H 1 8.398 0.03 . 1 . . . . 69 LYS HN . 17050 1
671 . 1 1 63 63 LYS HA H 1 4.614 0.03 . 1 . . . . 69 LYS HA . 17050 1
672 . 1 1 63 63 LYS HB2 H 1 1.810 0.03 . 2 . . . . 69 LYS HB1 . 17050 1
673 . 1 1 63 63 LYS HB3 H 1 1.848 0.03 . 2 . . . . 69 LYS HB2 . 17050 1
674 . 1 1 63 63 LYS HD2 H 1 1.820 0.03 . 2 . . . . 69 LYS HD1 . 17050 1
675 . 1 1 63 63 LYS HD3 H 1 1.543 0.03 . 2 . . . . 69 LYS HD2 . 17050 1
676 . 1 1 63 63 LYS HE2 H 1 2.644 0.03 . 2 . . . . 69 LYS HE1 . 17050 1
677 . 1 1 63 63 LYS HE3 H 1 2.107 0.03 . 2 . . . . 69 LYS HE2 . 17050 1
678 . 1 1 63 63 LYS HG2 H 1 1.477 0.03 . 2 . . . . 69 LYS HG1 . 17050 1
679 . 1 1 63 63 LYS HG3 H 1 1.527 0.03 . 2 . . . . 69 LYS HG2 . 17050 1
680 . 1 1 63 63 LYS CA C 13 55.002 0.30 . 1 . . . . 69 LYS CA . 17050 1
681 . 1 1 63 63 LYS CB C 13 33.430 0.30 . 1 . . . . 69 LYS CB . 17050 1
682 . 1 1 63 63 LYS CD C 13 28.868 0.30 . 1 . . . . 69 LYS CD . 17050 1
683 . 1 1 63 63 LYS CE C 13 41.805 0.30 . 1 . . . . 69 LYS CE . 17050 1
684 . 1 1 63 63 LYS CG C 13 24.801 0.30 . 1 . . . . 69 LYS CG . 17050 1
685 . 1 1 63 63 LYS N N 15 122.244 0.30 . 1 . . . . 69 LYS N . 17050 1
686 . 1 1 64 64 LEU H H 1 8.596 0.03 . 1 . . . . 70 LEU HN . 17050 1
687 . 1 1 64 64 LEU HA H 1 4.166 0.03 . 1 . . . . 70 LEU HA . 17050 1
688 . 1 1 64 64 LEU HB2 H 1 1.490 0.03 . 2 . . . . 70 LEU HB1 . 17050 1
689 . 1 1 64 64 LEU HB3 H 1 1.545 0.03 . 2 . . . . 70 LEU HB2 . 17050 1
690 . 1 1 64 64 LEU HD11 H 1 0.476 0.03 . 2 . . . . 70 LEU HD11 . 17050 1
691 . 1 1 64 64 LEU HD12 H 1 0.476 0.03 . 2 . . . . 70 LEU HD11 . 17050 1
692 . 1 1 64 64 LEU HD13 H 1 0.476 0.03 . 2 . . . . 70 LEU HD11 . 17050 1
693 . 1 1 64 64 LEU HD21 H 1 0.539 0.03 . 2 . . . . 70 LEU HD21 . 17050 1
694 . 1 1 64 64 LEU HD22 H 1 0.539 0.03 . 2 . . . . 70 LEU HD21 . 17050 1
695 . 1 1 64 64 LEU HD23 H 1 0.539 0.03 . 2 . . . . 70 LEU HD21 . 17050 1
696 . 1 1 64 64 LEU HG H 1 1.508 0.03 . 1 . . . . 70 LEU HG . 17050 1
697 . 1 1 64 64 LEU CA C 13 56.271 0.30 . 1 . . . . 70 LEU CA . 17050 1
698 . 1 1 64 64 LEU CB C 13 42.059 0.30 . 1 . . . . 70 LEU CB . 17050 1
699 . 1 1 64 64 LEU CD1 C 13 24.039 0.30 . 1 . . . . 70 LEU CD1 . 17050 1
700 . 1 1 64 64 LEU CD2 C 13 24.801 0.30 . 1 . . . . 70 LEU CD2 . 17050 1
701 . 1 1 64 64 LEU CG C 13 27.593 0.30 . 1 . . . . 70 LEU CG . 17050 1
702 . 1 1 64 64 LEU N N 15 122.672 0.30 . 1 . . . . 70 LEU N . 17050 1
703 . 1 1 65 65 GLY H H 1 8.290 0.03 . 1 . . . . 71 GLY HN . 17050 1
704 . 1 1 65 65 GLY HA2 H 1 3.889 0.03 . 2 . . . . 71 GLY HA1 . 17050 1
705 . 1 1 65 65 GLY HA3 H 1 3.938 0.03 . 2 . . . . 71 GLY HA2 . 17050 1
706 . 1 1 65 65 GLY CA C 13 45.273 0.30 . 1 . . . . 71 GLY CA . 17050 1
707 . 1 1 65 65 GLY N N 15 108.114 0.30 . 1 . . . . 71 GLY N . 17050 1
708 . 1 1 66 66 GLY H H 1 8.316 0.03 . 1 . . . . 72 GLY HN . 17050 1
709 . 1 1 66 66 GLY HA2 H 1 3.901 0.03 . 2 . . . . 72 GLY HA1 . 17050 1
710 . 1 1 66 66 GLY HA3 H 1 3.974 0.03 . 2 . . . . 72 GLY HA2 . 17050 1
711 . 1 1 66 66 GLY CA C 13 45.283 0.30 . 1 . . . . 72 GLY CA . 17050 1
712 . 1 1 66 66 GLY N N 15 108.970 0.30 . 1 . . . . 72 GLY N . 17050 1
713 . 1 1 67 67 GLY H H 1 8.179 0.03 . 1 . . . . 73 GLY HN . 17050 1
714 . 1 1 67 67 GLY HA2 H 1 3.941 0.03 . 2 . . . . 73 GLY HA1 . 17050 1
715 . 1 1 67 67 GLY HA3 H 1 4.036 0.03 . 2 . . . . 73 GLY HA2 . 17050 1
716 . 1 1 67 67 GLY CA C 13 45.153 0.30 . 1 . . . . 73 GLY CA . 17050 1
717 . 1 1 67 67 GLY N N 15 108.756 0.30 . 1 . . . . 73 GLY N . 17050 1
718 . 1 1 68 68 SER H H 1 8.245 0.03 . 1 . . . . 74 SER HN . 17050 1
719 . 1 1 68 68 SER HA H 1 4.431 0.03 . 1 . . . . 74 SER HA . 17050 1
720 . 1 1 68 68 SER HB2 H 1 3.735 0.03 . 2 . . . . 74 SER HB1 . 17050 1
721 . 1 1 68 68 SER HB3 H 1 3.826 0.03 . 2 . . . . 74 SER HB2 . 17050 1
722 . 1 1 68 68 SER CA C 13 58.146 0.30 . 1 . . . . 74 SER CA . 17050 1
723 . 1 1 68 68 SER CB C 13 63.631 0.30 . 1 . . . . 74 SER CB . 17050 1
724 . 1 1 68 68 SER N N 15 115.821 0.30 . 1 . . . . 74 SER N . 17050 1
725 . 1 1 69 69 SER H H 1 7.958 0.03 . 1 . . . . 75 SER HN . 17050 1
726 . 1 1 69 69 SER CA C 13 60.078 0.30 . 1 . . . . 75 SER CA . 17050 1
727 . 1 1 69 69 SER CB C 13 65.815 0.30 . 1 . . . . 75 SER CB . 17050 1
728 . 1 1 69 69 SER N N 15 123.101 0.30 . 1 . . . . 75 SER N . 17050 1
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