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 15079
_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 0.03
_Assigned_chem_shift_list.Chem_shift_13C_err 0.3
_Assigned_chem_shift_list.Chem_shift_15N_err 0.3
_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 '3D 1H-15N NOESY' . . . 15079 1
7 '3D 1H-13C NOESY' . . . 15079 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 $AutoStructure . . 15079 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 5 5 TYR HD1 H 1 6.849 0.03 . 1 . . . . 5 TYR HD1 . 15079 1
2 . 1 1 5 5 TYR HD2 H 1 6.849 0.03 . 1 . . . . 5 TYR HD2 . 15079 1
3 . 1 1 5 5 TYR HE1 H 1 6.714 0.03 . 1 . . . . 5 TYR HE1 . 15079 1
4 . 1 1 5 5 TYR HE2 H 1 6.714 0.03 . 1 . . . . 5 TYR HE2 . 15079 1
5 . 1 1 5 5 TYR C C 13 175.311 0.3 . 1 . . . . 5 TYR C . 15079 1
6 . 1 1 5 5 TYR CA C 13 57.458 0.3 . 1 . . . . 5 TYR CA . 15079 1
7 . 1 1 5 5 TYR CB C 13 42.374 0.3 . 1 . . . . 5 TYR CB . 15079 1
8 . 1 1 5 5 TYR CD1 C 13 133.07 0.3 . 1 . . . . 5 TYR CD1 . 15079 1
9 . 1 1 5 5 TYR CD2 C 13 133.07 0.3 . 1 . . . . 5 TYR CD2 . 15079 1
10 . 1 1 5 5 TYR CE1 C 13 117.545 0.3 . 1 . . . . 5 TYR CE1 . 15079 1
11 . 1 1 5 5 TYR CE2 C 13 117.545 0.3 . 1 . . . . 5 TYR CE2 . 15079 1
12 . 1 1 6 6 VAL H H 1 9.127 0.03 . 1 . . . . 6 VAL H . 15079 1
13 . 1 1 6 6 VAL HA H 1 4.915 0.03 . 1 . . . . 6 VAL HA . 15079 1
14 . 1 1 6 6 VAL HB H 1 1.858 0.03 . 1 . . . . 6 VAL HB . 15079 1
15 . 1 1 6 6 VAL HG11 H 1 0.806 0.03 . 2 . . . . 6 VAL HG1 . 15079 1
16 . 1 1 6 6 VAL HG12 H 1 0.806 0.03 . 2 . . . . 6 VAL HG1 . 15079 1
17 . 1 1 6 6 VAL HG13 H 1 0.806 0.03 . 2 . . . . 6 VAL HG1 . 15079 1
18 . 1 1 6 6 VAL HG21 H 1 0.801 0.03 . 2 . . . . 6 VAL HG2 . 15079 1
19 . 1 1 6 6 VAL HG22 H 1 0.801 0.03 . 2 . . . . 6 VAL HG2 . 15079 1
20 . 1 1 6 6 VAL HG23 H 1 0.801 0.03 . 2 . . . . 6 VAL HG2 . 15079 1
21 . 1 1 6 6 VAL CA C 13 60.093 0.3 . 1 . . . . 6 VAL CA . 15079 1
22 . 1 1 6 6 VAL CB C 13 35.880 0.3 . 1 . . . . 6 VAL CB . 15079 1
23 . 1 1 6 6 VAL CG1 C 13 21.482 0.3 . 2 . . . . 6 VAL CG1 . 15079 1
24 . 1 1 6 6 VAL CG2 C 13 21.453 0.3 . 2 . . . . 6 VAL CG2 . 15079 1
25 . 1 1 6 6 VAL N N 15 119.626 0.3 . 1 . . . . 6 VAL N . 15079 1
26 . 1 1 7 7 MET H H 1 9.312 0.03 . 1 . . . . 7 MET H . 15079 1
27 . 1 1 7 7 MET HA H 1 5.119 0.03 . 1 . . . . 7 MET HA . 15079 1
28 . 1 1 7 7 MET HB2 H 1 1.840 0.03 . 2 . . . . 7 MET HB2 . 15079 1
29 . 1 1 7 7 MET HB3 H 1 1.675 0.03 . 2 . . . . 7 MET HB3 . 15079 1
30 . 1 1 7 7 MET HG2 H 1 2.203 0.03 . 2 . . . . 7 MET HG2 . 15079 1
31 . 1 1 7 7 MET HG3 H 1 2.021 0.03 . 2 . . . . 7 MET HG3 . 15079 1
32 . 1 1 7 7 MET HE1 H 1 0.933 0.03 . 1 . . . . 7 MET HE . 15079 1
33 . 1 1 7 7 MET HE2 H 1 0.933 0.03 . 1 . . . . 7 MET HE . 15079 1
34 . 1 1 7 7 MET HE3 H 1 0.933 0.03 . 1 . . . . 7 MET HE . 15079 1
35 . 1 1 7 7 MET C C 13 173.751 0.3 . 1 . . . . 7 MET C . 15079 1
36 . 1 1 7 7 MET CA C 13 54.336 0.3 . 1 . . . . 7 MET CA . 15079 1
37 . 1 1 7 7 MET CB C 13 35.576 0.3 . 1 . . . . 7 MET CB . 15079 1
38 . 1 1 7 7 MET CE C 13 15.448 0.3 . 1 . . . . 7 MET CE . 15079 1
39 . 1 1 7 7 MET N N 15 124.441 0.3 . 1 . . . . 7 MET N . 15079 1
40 . 1 1 8 8 ALA H H 1 8.844 0.03 . 1 . . . . 8 ALA H . 15079 1
41 . 1 1 8 8 ALA HA H 1 5.524 0.03 . 1 . . . . 8 ALA HA . 15079 1
42 . 1 1 8 8 ALA HB1 H 1 1.347 0.03 . 1 . . . . 8 ALA HB . 15079 1
43 . 1 1 8 8 ALA HB2 H 1 1.347 0.03 . 1 . . . . 8 ALA HB . 15079 1
44 . 1 1 8 8 ALA HB3 H 1 1.347 0.03 . 1 . . . . 8 ALA HB . 15079 1
45 . 1 1 8 8 ALA C C 13 178.429 0.3 . 1 . . . . 8 ALA C . 15079 1
46 . 1 1 8 8 ALA CA C 13 50.240 0.3 . 1 . . . . 8 ALA CA . 15079 1
47 . 1 1 8 8 ALA CB C 13 20.782 0.3 . 1 . . . . 8 ALA CB . 15079 1
48 . 1 1 8 8 ALA N N 15 127.879 0.3 . 1 . . . . 8 ALA N . 15079 1
49 . 1 1 9 9 THR H H 1 9.020 0.03 . 1 . . . . 9 THR H . 15079 1
50 . 1 1 9 9 THR HA H 1 5.069 0.03 . 1 . . . . 9 THR HA . 15079 1
51 . 1 1 9 9 THR HB H 1 4.799 0.03 . 1 . . . . 9 THR HB . 15079 1
52 . 1 1 9 9 THR HG21 H 1 1.018 0.03 . 1 . . . . 9 THR HG2 . 15079 1
53 . 1 1 9 9 THR HG22 H 1 1.018 0.03 . 1 . . . . 9 THR HG2 . 15079 1
54 . 1 1 9 9 THR HG23 H 1 1.018 0.03 . 1 . . . . 9 THR HG2 . 15079 1
55 . 1 1 9 9 THR C C 13 177.341 0.3 . 1 . . . . 9 THR C . 15079 1
56 . 1 1 9 9 THR CA C 13 60.982 0.3 . 1 . . . . 9 THR CA . 15079 1
57 . 1 1 9 9 THR CB C 13 70.447 0.3 . 1 . . . . 9 THR CB . 15079 1
58 . 1 1 9 9 THR CG2 C 13 22.004 0.3 . 1 . . . . 9 THR CG2 . 15079 1
59 . 1 1 9 9 THR N N 15 114.315 0.3 . 1 . . . . 9 THR N . 15079 1
60 . 1 1 10 10 LYS H H 1 8.683 0.03 . 1 . . . . 10 LYS H . 15079 1
61 . 1 1 10 10 LYS HA H 1 4.054 0.03 . 1 . . . . 10 LYS HA . 15079 1
62 . 1 1 10 10 LYS HB2 H 1 1.885 0.03 . 2 . . . . 10 LYS HB2 . 15079 1
63 . 1 1 10 10 LYS HB3 H 1 1.822 0.03 . 2 . . . . 10 LYS HB3 . 15079 1
64 . 1 1 10 10 LYS HG2 H 1 1.309 0.03 . 2 . . . . 10 LYS HG2 . 15079 1
65 . 1 1 10 10 LYS HG3 H 1 1.244 0.03 . 2 . . . . 10 LYS HG3 . 15079 1
66 . 1 1 10 10 LYS HD2 H 1 1.699 0.03 . 2 . . . . 10 LYS HD2 . 15079 1
67 . 1 1 10 10 LYS HD3 H 1 1.664 0.03 . 2 . . . . 10 LYS HD3 . 15079 1
68 . 1 1 10 10 LYS HE2 H 1 2.851 0.03 . 2 . . . . 10 LYS HE2 . 15079 1
69 . 1 1 10 10 LYS HE3 H 1 2.667 0.03 . 2 . . . . 10 LYS HE3 . 15079 1
70 . 1 1 10 10 LYS C C 13 177.111 0.3 . 1 . . . . 10 LYS C . 15079 1
71 . 1 1 10 10 LYS CA C 13 59.357 0.3 . 1 . . . . 10 LYS CA . 15079 1
72 . 1 1 10 10 LYS CB C 13 32.271 0.3 . 1 . . . . 10 LYS CB . 15079 1
73 . 1 1 10 10 LYS CG C 13 26.162 0.3 . 1 . . . . 10 LYS CG . 15079 1
74 . 1 1 10 10 LYS CD C 13 29.514 0.3 . 1 . . . . 10 LYS CD . 15079 1
75 . 1 1 10 10 LYS CE C 13 42.249 0.3 . 1 . . . . 10 LYS CE . 15079 1
76 . 1 1 10 10 LYS N N 15 122.355 0.3 . 1 . . . . 10 LYS N . 15079 1
77 . 1 1 11 11 ASP H H 1 8.251 0.03 . 1 . . . . 11 ASP H . 15079 1
78 . 1 1 11 11 ASP HA H 1 4.597 0.03 . 1 . . . . 11 ASP HA . 15079 1
79 . 1 1 11 11 ASP HB2 H 1 3.037 0.03 . 2 . . . . 11 ASP HB2 . 15079 1
80 . 1 1 11 11 ASP HB3 H 1 2.572 0.03 . 2 . . . . 11 ASP HB3 . 15079 1
81 . 1 1 11 11 ASP C C 13 176.403 0.3 . 1 . . . . 11 ASP C . 15079 1
82 . 1 1 11 11 ASP CA C 13 53.154 0.3 . 1 . . . . 11 ASP CA . 15079 1
83 . 1 1 11 11 ASP CB C 13 39.791 0.3 . 1 . . . . 11 ASP CB . 15079 1
84 . 1 1 11 11 ASP N N 15 114.829 0.3 . 1 . . . . 11 ASP N . 15079 1
85 . 1 1 12 12 GLY H H 1 7.674 0.03 . 1 . . . . 12 GLY H . 15079 1
86 . 1 1 12 12 GLY HA2 H 1 4.166 0.03 . 2 . . . . 12 GLY HA2 . 15079 1
87 . 1 1 12 12 GLY HA3 H 1 3.704 0.03 . 2 . . . . 12 GLY HA3 . 15079 1
88 . 1 1 12 12 GLY C C 13 174.903 0.3 . 1 . . . . 12 GLY C . 15079 1
89 . 1 1 12 12 GLY CA C 13 46.075 0.3 . 1 . . . . 12 GLY CA . 15079 1
90 . 1 1 12 12 GLY N N 15 106.800 0.3 . 1 . . . . 12 GLY N . 15079 1
91 . 1 1 13 13 ARG H H 1 7.684 0.03 . 1 . . . . 13 ARG H . 15079 1
92 . 1 1 13 13 ARG HA H 1 4.394 0.03 . 1 . . . . 13 ARG HA . 15079 1
93 . 1 1 13 13 ARG HB2 H 1 2.104 0.03 . 2 . . . . 13 ARG HB2 . 15079 1
94 . 1 1 13 13 ARG HB3 H 1 1.613 0.03 . 2 . . . . 13 ARG HB3 . 15079 1
95 . 1 1 13 13 ARG HG2 H 1 1.594 0.03 . 2 . . . . 13 ARG HG2 . 15079 1
96 . 1 1 13 13 ARG HG3 H 1 1.466 0.03 . 2 . . . . 13 ARG HG3 . 15079 1
97 . 1 1 13 13 ARG HD2 H 1 3.252 0.03 . 2 . . . . 13 ARG HD2 . 15079 1
98 . 1 1 13 13 ARG HD3 H 1 3.084 0.03 . 2 . . . . 13 ARG HD3 . 15079 1
99 . 1 1 13 13 ARG HE H 1 6.767 0.03 . 1 . . . . 13 ARG HE . 15079 1
100 . 1 1 13 13 ARG C C 13 175.725 0.3 . 1 . . . . 13 ARG C . 15079 1
101 . 1 1 13 13 ARG CA C 13 56.118 0.3 . 1 . . . . 13 ARG CA . 15079 1
102 . 1 1 13 13 ARG CB C 13 31.644 0.3 . 1 . . . . 13 ARG CB . 15079 1
103 . 1 1 13 13 ARG CG C 13 27.488 0.3 . 1 . . . . 13 ARG CG . 15079 1
104 . 1 1 13 13 ARG CD C 13 43.633 0.3 . 1 . . . . 13 ARG CD . 15079 1
105 . 1 1 13 13 ARG N N 15 119.957 0.3 . 1 . . . . 13 ARG N . 15079 1
106 . 1 1 13 13 ARG NE N 15 89.8 0.3 . 1 . . . . 13 ARG NE . 15079 1
107 . 1 1 14 14 MET H H 1 8.389 0.03 . 1 . . . . 14 MET H . 15079 1
108 . 1 1 14 14 MET HA H 1 5.175 0.03 . 1 . . . . 14 MET HA . 15079 1
109 . 1 1 14 14 MET HB2 H 1 1.993 0.03 . 2 . . . . 14 MET HB2 . 15079 1
110 . 1 1 14 14 MET HB3 H 1 1.585 0.03 . 2 . . . . 14 MET HB3 . 15079 1
111 . 1 1 14 14 MET HG2 H 1 2.604 0.03 . 2 . . . . 14 MET HG2 . 15079 1
112 . 1 1 14 14 MET HG3 H 1 2.381 0.03 . 2 . . . . 14 MET HG3 . 15079 1
113 . 1 1 14 14 MET HE1 H 1 1.965 0.03 . 1 . . . . 14 MET HE . 15079 1
114 . 1 1 14 14 MET HE2 H 1 1.965 0.03 . 1 . . . . 14 MET HE . 15079 1
115 . 1 1 14 14 MET HE3 H 1 1.965 0.03 . 1 . . . . 14 MET HE . 15079 1
116 . 1 1 14 14 MET C C 13 175.580 0.3 . 1 . . . . 14 MET C . 15079 1
117 . 1 1 14 14 MET CA C 13 53.638 0.3 . 1 . . . . 14 MET CA . 15079 1
118 . 1 1 14 14 MET CB C 13 33.111 0.3 . 1 . . . . 14 MET CB . 15079 1
119 . 1 1 14 14 MET CG C 13 32.376 0.3 . 1 . . . . 14 MET CG . 15079 1
120 . 1 1 14 14 MET CE C 13 17.724 0.3 . 1 . . . . 14 MET CE . 15079 1
121 . 1 1 14 14 MET N N 15 120.980 0.3 . 1 . . . . 14 MET N . 15079 1
122 . 1 1 15 15 ILE H H 1 9.304 0.03 . 1 . . . . 15 ILE H . 15079 1
123 . 1 1 15 15 ILE HA H 1 4.138 0.03 . 1 . . . . 15 ILE HA . 15079 1
124 . 1 1 15 15 ILE HB H 1 1.555 0.03 . 1 . . . . 15 ILE HB . 15079 1
125 . 1 1 15 15 ILE HG12 H 1 1.390 0.03 . 2 . . . . 15 ILE HG12 . 15079 1
126 . 1 1 15 15 ILE HG13 H 1 0.968 0.03 . 2 . . . . 15 ILE HG13 . 15079 1
127 . 1 1 15 15 ILE HG21 H 1 0.621 0.03 . 1 . . . . 15 ILE HG2 . 15079 1
128 . 1 1 15 15 ILE HG22 H 1 0.621 0.03 . 1 . . . . 15 ILE HG2 . 15079 1
129 . 1 1 15 15 ILE HG23 H 1 0.621 0.03 . 1 . . . . 15 ILE HG2 . 15079 1
130 . 1 1 15 15 ILE HD11 H 1 0.624 0.03 . 1 . . . . 15 ILE HD1 . 15079 1
131 . 1 1 15 15 ILE HD12 H 1 0.624 0.03 . 1 . . . . 15 ILE HD1 . 15079 1
132 . 1 1 15 15 ILE HD13 H 1 0.624 0.03 . 1 . . . . 15 ILE HD1 . 15079 1
133 . 1 1 15 15 ILE C C 13 174.831 0.3 . 1 . . . . 15 ILE C . 15079 1
134 . 1 1 15 15 ILE CA C 13 60.966 0.3 . 1 . . . . 15 ILE CA . 15079 1
135 . 1 1 15 15 ILE CB C 13 40.400 0.3 . 1 . . . . 15 ILE CB . 15079 1
136 . 1 1 15 15 ILE CG1 C 13 27.218 0.3 . 1 . . . . 15 ILE CG1 . 15079 1
137 . 1 1 15 15 ILE CG2 C 13 17.239 0.3 . 1 . . . . 15 ILE CG2 . 15079 1
138 . 1 1 15 15 ILE CD1 C 13 13.751 0.3 . 1 . . . . 15 ILE CD1 . 15079 1
139 . 1 1 15 15 ILE N N 15 126.279 0.3 . 1 . . . . 15 ILE N . 15079 1
140 . 1 1 16 16 LEU H H 1 8.568 0.03 . 1 . . . . 16 LEU H . 15079 1
141 . 1 1 16 16 LEU HA H 1 4.764 0.03 . 1 . . . . 16 LEU HA . 15079 1
142 . 1 1 16 16 LEU HB2 H 1 1.662 0.03 . 2 . . . . 16 LEU HB2 . 15079 1
143 . 1 1 16 16 LEU HB3 H 1 1.661 0.03 . 2 . . . . 16 LEU HB3 . 15079 1
144 . 1 1 16 16 LEU HG H 1 1.742 0.03 . 1 . . . . 16 LEU HG . 15079 1
145 . 1 1 16 16 LEU HD11 H 1 0.939 0.03 . 1 . . . . 16 LEU HD1 . 15079 1
146 . 1 1 16 16 LEU HD12 H 1 0.939 0.03 . 1 . . . . 16 LEU HD1 . 15079 1
147 . 1 1 16 16 LEU HD13 H 1 0.939 0.03 . 1 . . . . 16 LEU HD1 . 15079 1
148 . 1 1 16 16 LEU HD21 H 1 0.880 0.03 . 1 . . . . 16 LEU HD2 . 15079 1
149 . 1 1 16 16 LEU HD22 H 1 0.880 0.03 . 1 . . . . 16 LEU HD2 . 15079 1
150 . 1 1 16 16 LEU HD23 H 1 0.880 0.03 . 1 . . . . 16 LEU HD2 . 15079 1
151 . 1 1 16 16 LEU CA C 13 55.487 0.3 . 1 . . . . 16 LEU CA . 15079 1
152 . 1 1 16 16 LEU CB C 13 41.982 0.3 . 1 . . . . 16 LEU CB . 15079 1
153 . 1 1 16 16 LEU CG C 13 28.074 0.3 . 1 . . . . 16 LEU CG . 15079 1
154 . 1 1 16 16 LEU CD1 C 13 24.786 0.3 . 1 . . . . 16 LEU CD1 . 15079 1
155 . 1 1 16 16 LEU CD2 C 13 24.473 0.3 . 1 . . . . 16 LEU CD2 . 15079 1
156 . 1 1 16 16 LEU N N 15 130.0 0.3 . 1 . . . . 16 LEU N . 15079 1
157 . 1 1 17 17 THR H H 1 8.206 0.03 . 1 . . . . 17 THR H . 15079 1
158 . 1 1 17 17 THR HA H 1 5.212 0.03 . 1 . . . . 17 THR HA . 15079 1
159 . 1 1 17 17 THR HB H 1 4.637 0.03 . 1 . . . . 17 THR HB . 15079 1
160 . 1 1 17 17 THR HG1 H 1 5.586 0.03 . 1 . . . . 17 THR HG1 . 15079 1
161 . 1 1 17 17 THR HG21 H 1 0.859 0.03 . 1 . . . . 17 THR HG2 . 15079 1
162 . 1 1 17 17 THR HG22 H 1 0.859 0.03 . 1 . . . . 17 THR HG2 . 15079 1
163 . 1 1 17 17 THR HG23 H 1 0.859 0.03 . 1 . . . . 17 THR HG2 . 15079 1
164 . 1 1 17 17 THR C C 13 174.038 0.3 . 1 . . . . 17 THR C . 15079 1
165 . 1 1 17 17 THR CA C 13 60.391 0.3 . 1 . . . . 17 THR CA . 15079 1
166 . 1 1 17 17 THR CB C 13 70.128 0.3 . 1 . . . . 17 THR CB . 15079 1
167 . 1 1 17 17 THR CG2 C 13 21.892 0.3 . 1 . . . . 17 THR CG2 . 15079 1
168 . 1 1 17 17 THR N N 15 125.378 0.3 . 1 . . . . 17 THR N . 15079 1
169 . 1 1 18 18 ASP H H 1 8.444 0.03 . 1 . . . . 18 ASP H . 15079 1
170 . 1 1 18 18 ASP HA H 1 5.041 0.03 . 1 . . . . 18 ASP HA . 15079 1
171 . 1 1 18 18 ASP HB2 H 1 2.718 0.03 . 2 . . . . 18 ASP HB2 . 15079 1
172 . 1 1 18 18 ASP HB3 H 1 2.481 0.03 . 2 . . . . 18 ASP HB3 . 15079 1
173 . 1 1 18 18 ASP CA C 13 53.202 0.3 . 1 . . . . 18 ASP CA . 15079 1
174 . 1 1 18 18 ASP CB C 13 41.610 0.3 . 1 . . . . 18 ASP CB . 15079 1
175 . 1 1 18 18 ASP N N 15 122.074 0.3 . 1 . . . . 18 ASP N . 15079 1
176 . 1 1 19 19 GLY HA2 H 1 4.216 0.03 . 2 . . . . 19 GLY HA2 . 15079 1
177 . 1 1 19 19 GLY HA3 H 1 3.917 0.03 . 2 . . . . 19 GLY HA3 . 15079 1
178 . 1 1 19 19 GLY C C 13 172.903 0.3 . 1 . . . . 19 GLY C . 15079 1
179 . 1 1 19 19 GLY CA C 13 43.627 0.3 . 1 . . . . 19 GLY CA . 15079 1
180 . 1 1 20 20 LYS H H 1 8.294 0.03 . 1 . . . . 20 LYS H . 15079 1
181 . 1 1 20 20 LYS CA C 13 54.863 0.3 . 1 . . . . 20 LYS CA . 15079 1
182 . 1 1 20 20 LYS CB C 13 33.328 0.3 . 1 . . . . 20 LYS CB . 15079 1
183 . 1 1 20 20 LYS N N 15 123.488 0.3 . 1 . . . . 20 LYS N . 15079 1
184 . 1 1 21 21 PRO HA H 1 4.554 0.03 . 1 . . . . 21 PRO HA . 15079 1
185 . 1 1 21 21 PRO HB2 H 1 2.066 0.03 . 2 . . . . 21 PRO HB2 . 15079 1
186 . 1 1 21 21 PRO HB3 H 1 1.525 0.03 . 2 . . . . 21 PRO HB3 . 15079 1
187 . 1 1 21 21 PRO HG2 H 1 1.749 0.03 . 2 . . . . 21 PRO HG2 . 15079 1
188 . 1 1 21 21 PRO HG3 H 1 1.739 0.03 . 2 . . . . 21 PRO HG3 . 15079 1
189 . 1 1 21 21 PRO HD2 H 1 3.745 0.03 . 2 . . . . 21 PRO HD2 . 15079 1
190 . 1 1 21 21 PRO HD3 H 1 2.989 0.03 . 2 . . . . 21 PRO HD3 . 15079 1
191 . 1 1 21 21 PRO C C 13 174.885 0.3 . 1 . . . . 21 PRO C . 15079 1
192 . 1 1 21 21 PRO CA C 13 62.922 0.3 . 1 . . . . 21 PRO CA . 15079 1
193 . 1 1 21 21 PRO CB C 13 33.223 0.3 . 1 . . . . 21 PRO CB . 15079 1
194 . 1 1 21 21 PRO CG C 13 28.317 0.3 . 1 . . . . 21 PRO CG . 15079 1
195 . 1 1 21 21 PRO CD C 13 50.599 0.3 . 1 . . . . 21 PRO CD . 15079 1
196 . 1 1 22 22 GLU H H 1 8.758 0.03 . 1 . . . . 22 GLU H . 15079 1
197 . 1 1 22 22 GLU HA H 1 4.577 0.03 . 1 . . . . 22 GLU HA . 15079 1
198 . 1 1 22 22 GLU HB2 H 1 2.008 0.03 . 2 . . . . 22 GLU HB2 . 15079 1
199 . 1 1 22 22 GLU HB3 H 1 1.866 0.03 . 2 . . . . 22 GLU HB3 . 15079 1
200 . 1 1 22 22 GLU HG2 H 1 2.247 0.03 . 2 . . . . 22 GLU HG2 . 15079 1
201 . 1 1 22 22 GLU HG3 H 1 2.143 0.03 . 2 . . . . 22 GLU HG3 . 15079 1
202 . 1 1 22 22 GLU C C 13 174.974 0.3 . 1 . . . . 22 GLU C . 15079 1
203 . 1 1 22 22 GLU CA C 13 55.008 0.3 . 1 . . . . 22 GLU CA . 15079 1
204 . 1 1 22 22 GLU CB C 13 32.139 0.3 . 1 . . . . 22 GLU CB . 15079 1
205 . 1 1 22 22 GLU CG C 13 35.868 0.3 . 1 . . . . 22 GLU CG . 15079 1
206 . 1 1 22 22 GLU N N 15 121.885 0.3 . 1 . . . . 22 GLU N . 15079 1
207 . 1 1 23 23 ILE H H 1 8.875 0.03 . 1 . . . . 23 ILE H . 15079 1
208 . 1 1 23 23 ILE HA H 1 4.233 0.03 . 1 . . . . 23 ILE HA . 15079 1
209 . 1 1 23 23 ILE HB H 1 1.789 0.03 . 1 . . . . 23 ILE HB . 15079 1
210 . 1 1 23 23 ILE HG12 H 1 1.498 0.03 . 2 . . . . 23 ILE HG12 . 15079 1
211 . 1 1 23 23 ILE HG13 H 1 0.889 0.03 . 2 . . . . 23 ILE HG13 . 15079 1
212 . 1 1 23 23 ILE HG21 H 1 0.695 0.03 . 1 . . . . 23 ILE HG2 . 15079 1
213 . 1 1 23 23 ILE HG22 H 1 0.695 0.03 . 1 . . . . 23 ILE HG2 . 15079 1
214 . 1 1 23 23 ILE HG23 H 1 0.695 0.03 . 1 . . . . 23 ILE HG2 . 15079 1
215 . 1 1 23 23 ILE HD11 H 1 0.793 0.03 . 1 . . . . 23 ILE HD1 . 15079 1
216 . 1 1 23 23 ILE HD12 H 1 0.793 0.03 . 1 . . . . 23 ILE HD1 . 15079 1
217 . 1 1 23 23 ILE HD13 H 1 0.793 0.03 . 1 . . . . 23 ILE HD1 . 15079 1
218 . 1 1 23 23 ILE C C 13 174.986 0.3 . 1 . . . . 23 ILE C . 15079 1
219 . 1 1 23 23 ILE CA C 13 61.837 0.3 . 1 . . . . 23 ILE CA . 15079 1
220 . 1 1 23 23 ILE CB C 13 39.254 0.3 . 1 . . . . 23 ILE CB . 15079 1
221 . 1 1 23 23 ILE CG1 C 13 28.328 0.3 . 1 . . . . 23 ILE CG1 . 15079 1
222 . 1 1 23 23 ILE CG2 C 13 17.670 0.3 . 1 . . . . 23 ILE CG2 . 15079 1
223 . 1 1 23 23 ILE CD1 C 13 14.096 0.3 . 1 . . . . 23 ILE CD1 . 15079 1
224 . 1 1 23 23 ILE N N 15 125.321 0.3 . 1 . . . . 23 ILE N . 15079 1
225 . 1 1 24 24 ASP H H 1 8.348 0.03 . 1 . . . . 24 ASP H . 15079 1
226 . 1 1 24 24 ASP HA H 1 4.913 0.03 . 1 . . . . 24 ASP HA . 15079 1
227 . 1 1 24 24 ASP HB2 H 1 3.234 0.03 . 2 . . . . 24 ASP HB2 . 15079 1
228 . 1 1 24 24 ASP HB3 H 1 2.475 0.03 . 2 . . . . 24 ASP HB3 . 15079 1
229 . 1 1 24 24 ASP C C 13 176.338 0.3 . 1 . . . . 24 ASP C . 15079 1
230 . 1 1 24 24 ASP CA C 13 52.880 0.3 . 1 . . . . 24 ASP CA . 15079 1
231 . 1 1 24 24 ASP CB C 13 42.424 0.3 . 1 . . . . 24 ASP CB . 15079 1
232 . 1 1 24 24 ASP N N 15 128.520 0.3 . 1 . . . . 24 ASP N . 15079 1
233 . 1 1 25 25 ASP H H 1 8.953 0.03 . 1 . . . . 25 ASP H . 15079 1
234 . 1 1 25 25 ASP HA H 1 4.343 0.03 . 1 . . . . 25 ASP HA . 15079 1
235 . 1 1 25 25 ASP HB2 H 1 2.647 0.03 . 2 . . . . 25 ASP HB2 . 15079 1
236 . 1 1 25 25 ASP HB3 H 1 2.563 0.03 . 2 . . . . 25 ASP HB3 . 15079 1
237 . 1 1 25 25 ASP C C 13 177.434 0.3 . 1 . . . . 25 ASP C . 15079 1
238 . 1 1 25 25 ASP CA C 13 56.888 0.3 . 1 . . . . 25 ASP CA . 15079 1
239 . 1 1 25 25 ASP CB C 13 41.286 0.3 . 1 . . . . 25 ASP CB . 15079 1
240 . 1 1 25 25 ASP N N 15 125.996 0.3 . 1 . . . . 25 ASP N . 15079 1
241 . 1 1 26 26 ASP H H 1 8.640 0.03 . 1 . . . . 26 ASP H . 15079 1
242 . 1 1 26 26 ASP HA H 1 4.566 0.03 . 1 . . . . 26 ASP HA . 15079 1
243 . 1 1 26 26 ASP HB2 H 1 2.897 0.03 . 2 . . . . 26 ASP HB2 . 15079 1
244 . 1 1 26 26 ASP HB3 H 1 2.718 0.03 . 2 . . . . 26 ASP HB3 . 15079 1
245 . 1 1 26 26 ASP C C 13 178.040 0.3 . 1 . . . . 26 ASP C . 15079 1
246 . 1 1 26 26 ASP CA C 13 56.976 0.3 . 1 . . . . 26 ASP CA . 15079 1
247 . 1 1 26 26 ASP CB C 13 41.164 0.3 . 1 . . . . 26 ASP CB . 15079 1
248 . 1 1 26 26 ASP N N 15 118.710 0.3 . 1 . . . . 26 ASP N . 15079 1
249 . 1 1 27 27 THR H H 1 7.721 0.03 . 1 . . . . 27 THR H . 15079 1
250 . 1 1 27 27 THR HA H 1 4.294 0.03 . 1 . . . . 27 THR HA . 15079 1
251 . 1 1 27 27 THR HB H 1 4.249 0.03 . 1 . . . . 27 THR HB . 15079 1
252 . 1 1 27 27 THR HG21 H 1 1.196 0.03 . 1 . . . . 27 THR HG2 . 15079 1
253 . 1 1 27 27 THR HG22 H 1 1.196 0.03 . 1 . . . . 27 THR HG2 . 15079 1
254 . 1 1 27 27 THR HG23 H 1 1.196 0.03 . 1 . . . . 27 THR HG2 . 15079 1
255 . 1 1 27 27 THR C C 13 176.771 0.3 . 1 . . . . 27 THR C . 15079 1
256 . 1 1 27 27 THR CA C 13 61.921 0.3 . 1 . . . . 27 THR CA . 15079 1
257 . 1 1 27 27 THR CB C 13 70.390 0.3 . 1 . . . . 27 THR CB . 15079 1
258 . 1 1 27 27 THR CG2 C 13 21.561 0.3 . 1 . . . . 27 THR CG2 . 15079 1
259 . 1 1 27 27 THR N N 15 107.6 0.3 . 1 . . . . 27 THR N . 15079 1
260 . 1 1 28 28 GLY H H 1 8.213 0.03 . 1 . . . . 28 GLY H . 15079 1
261 . 1 1 28 28 GLY HA2 H 1 4.096 0.03 . 2 . . . . 28 GLY HA2 . 15079 1
262 . 1 1 28 28 GLY HA3 H 1 3.611 0.03 . 2 . . . . 28 GLY HA3 . 15079 1
263 . 1 1 28 28 GLY C C 13 173.499 0.3 . 1 . . . . 28 GLY C . 15079 1
264 . 1 1 28 28 GLY CA C 13 46.366 0.3 . 1 . . . . 28 GLY CA . 15079 1
265 . 1 1 28 28 GLY N N 15 110.590 0.3 . 1 . . . . 28 GLY N . 15079 1
266 . 1 1 29 29 LEU H H 1 7.684 0.03 . 1 . . . . 29 LEU H . 15079 1
267 . 1 1 29 29 LEU HA H 1 4.784 0.03 . 1 . . . . 29 LEU HA . 15079 1
268 . 1 1 29 29 LEU HB2 H 1 1.716 0.03 . 2 . . . . 29 LEU HB2 . 15079 1
269 . 1 1 29 29 LEU HB3 H 1 1.086 0.03 . 2 . . . . 29 LEU HB3 . 15079 1
270 . 1 1 29 29 LEU HG H 1 1.448 0.03 . 1 . . . . 29 LEU HG . 15079 1
271 . 1 1 29 29 LEU HD11 H 1 0.790 0.03 . 1 . . . . 29 LEU HD1 . 15079 1
272 . 1 1 29 29 LEU HD12 H 1 0.790 0.03 . 1 . . . . 29 LEU HD1 . 15079 1
273 . 1 1 29 29 LEU HD13 H 1 0.790 0.03 . 1 . . . . 29 LEU HD1 . 15079 1
274 . 1 1 29 29 LEU HD21 H 1 0.753 0.03 . 1 . . . . 29 LEU HD2 . 15079 1
275 . 1 1 29 29 LEU HD22 H 1 0.753 0.03 . 1 . . . . 29 LEU HD2 . 15079 1
276 . 1 1 29 29 LEU HD23 H 1 0.753 0.03 . 1 . . . . 29 LEU HD2 . 15079 1
277 . 1 1 29 29 LEU C C 13 176.049 0.3 . 1 . . . . 29 LEU C . 15079 1
278 . 1 1 29 29 LEU CA C 13 54.524 0.3 . 1 . . . . 29 LEU CA . 15079 1
279 . 1 1 29 29 LEU CB C 13 44.832 0.3 . 1 . . . . 29 LEU CB . 15079 1
280 . 1 1 29 29 LEU CG C 13 26.400 0.3 . 1 . . . . 29 LEU CG . 15079 1
281 . 1 1 29 29 LEU CD1 C 13 24.728 0.3 . 1 . . . . 29 LEU CD1 . 15079 1
282 . 1 1 29 29 LEU CD2 C 13 23.324 0.3 . 1 . . . . 29 LEU CD2 . 15079 1
283 . 1 1 29 29 LEU N N 15 120.068 0.3 . 1 . . . . 29 LEU N . 15079 1
284 . 1 1 30 30 VAL H H 1 9.275 0.03 . 1 . . . . 30 VAL H . 15079 1
285 . 1 1 30 30 VAL HA H 1 4.737 0.03 . 1 . . . . 30 VAL HA . 15079 1
286 . 1 1 30 30 VAL HB H 1 2.213 0.03 . 1 . . . . 30 VAL HB . 15079 1
287 . 1 1 30 30 VAL HG11 H 1 0.755 0.03 . 1 . . . . 30 VAL HG1 . 15079 1
288 . 1 1 30 30 VAL HG12 H 1 0.755 0.03 . 1 . . . . 30 VAL HG1 . 15079 1
289 . 1 1 30 30 VAL HG13 H 1 0.755 0.03 . 1 . . . . 30 VAL HG1 . 15079 1
290 . 1 1 30 30 VAL HG21 H 1 0.758 0.03 . 1 . . . . 30 VAL HG2 . 15079 1
291 . 1 1 30 30 VAL HG22 H 1 0.758 0.03 . 1 . . . . 30 VAL HG2 . 15079 1
292 . 1 1 30 30 VAL HG23 H 1 0.758 0.03 . 1 . . . . 30 VAL HG2 . 15079 1
293 . 1 1 30 30 VAL C C 13 175.772 0.3 . 1 . . . . 30 VAL C . 15079 1
294 . 1 1 30 30 VAL CA C 13 61.100 0.3 . 1 . . . . 30 VAL CA . 15079 1
295 . 1 1 30 30 VAL CB C 13 31.779 0.3 . 1 . . . . 30 VAL CB . 15079 1
296 . 1 1 30 30 VAL CG1 C 13 21.537 0.3 . 1 . . . . 30 VAL CG1 . 15079 1
297 . 1 1 30 30 VAL CG2 C 13 20.937 0.3 . 1 . . . . 30 VAL CG2 . 15079 1
298 . 1 1 30 30 VAL N N 15 124.778 0.3 . 1 . . . . 30 VAL N . 15079 1
299 . 1 1 31 31 SER H H 1 9.242 0.03 . 1 . . . . 31 SER H . 15079 1
300 . 1 1 31 31 SER HA H 1 5.312 0.03 . 1 . . . . 31 SER HA . 15079 1
301 . 1 1 31 31 SER HB2 H 1 3.959 0.03 . 2 . . . . 31 SER HB2 . 15079 1
302 . 1 1 31 31 SER HB3 H 1 3.833 0.03 . 2 . . . . 31 SER HB3 . 15079 1
303 . 1 1 31 31 SER C C 13 173.086 0.3 . 1 . . . . 31 SER C . 15079 1
304 . 1 1 31 31 SER CA C 13 57.648 0.3 . 1 . . . . 31 SER CA . 15079 1
305 . 1 1 31 31 SER CB C 13 64.530 0.3 . 1 . . . . 31 SER CB . 15079 1
306 . 1 1 31 31 SER N N 15 123.288 0.3 . 1 . . . . 31 SER N . 15079 1
307 . 1 1 32 32 TYR H H 1 8.692 0.03 . 1 . . . . 32 TYR H . 15079 1
308 . 1 1 32 32 TYR HA H 1 5.016 0.03 . 1 . . . . 32 TYR HA . 15079 1
309 . 1 1 32 32 TYR HB2 H 1 2.959 0.03 . 2 . . . . 32 TYR HB2 . 15079 1
310 . 1 1 32 32 TYR HB3 H 1 2.716 0.03 . 2 . . . . 32 TYR HB3 . 15079 1
311 . 1 1 32 32 TYR HD1 H 1 6.629 0.03 . 1 . . . . 32 TYR HD1 . 15079 1
312 . 1 1 32 32 TYR HD2 H 1 6.629 0.03 . 1 . . . . 32 TYR HD2 . 15079 1
313 . 1 1 32 32 TYR HE1 H 1 6.281 0.03 . 1 . . . . 32 TYR HE1 . 15079 1
314 . 1 1 32 32 TYR HE2 H 1 6.281 0.03 . 1 . . . . 32 TYR HE2 . 15079 1
315 . 1 1 32 32 TYR C C 13 172.432 0.3 . 1 . . . . 32 TYR C . 15079 1
316 . 1 1 32 32 TYR CA C 13 55.730 0.3 . 1 . . . . 32 TYR CA . 15079 1
317 . 1 1 32 32 TYR CB C 13 40.144 0.3 . 1 . . . . 32 TYR CB . 15079 1
318 . 1 1 32 32 TYR CD1 C 13 133.831 0.3 . 1 . . . . 32 TYR CD1 . 15079 1
319 . 1 1 32 32 TYR CD2 C 13 133.831 0.3 . 1 . . . . 32 TYR CD2 . 15079 1
320 . 1 1 32 32 TYR CE1 C 13 117.376 0.3 . 1 . . . . 32 TYR CE1 . 15079 1
321 . 1 1 32 32 TYR CE2 C 13 117.376 0.3 . 1 . . . . 32 TYR CE2 . 15079 1
322 . 1 1 32 32 TYR N N 15 121.184 0.3 . 1 . . . . 32 TYR N . 15079 1
323 . 1 1 33 33 HIS H H 1 8.921 0.03 . 1 . . . . 33 HIS H . 15079 1
324 . 1 1 33 33 HIS HA H 1 5.475 0.03 . 1 . . . . 33 HIS HA . 15079 1
325 . 1 1 33 33 HIS HB2 H 1 3.346 0.03 . 2 . . . . 33 HIS HB2 . 15079 1
326 . 1 1 33 33 HIS HB3 H 1 2.957 0.03 . 2 . . . . 33 HIS HB3 . 15079 1
327 . 1 1 33 33 HIS HD2 H 1 6.984 0.03 . 1 . . . . 33 HIS HD2 . 15079 1
328 . 1 1 33 33 HIS C C 13 175.665 0.3 . 1 . . . . 33 HIS C . 15079 1
329 . 1 1 33 33 HIS CA C 13 54.225 0.3 . 1 . . . . 33 HIS CA . 15079 1
330 . 1 1 33 33 HIS CB C 13 31.029 0.3 . 1 . . . . 33 HIS CB . 15079 1
331 . 1 1 33 33 HIS CD2 C 13 118.966 0.3 . 1 . . . . 33 HIS CD2 . 15079 1
332 . 1 1 33 33 HIS N N 15 117.826 0.3 . 1 . . . . 33 HIS N . 15079 1
333 . 1 1 34 34 ASP H H 1 8.505 0.03 . 1 . . . . 34 ASP H . 15079 1
334 . 1 1 34 34 ASP HA H 1 4.874 0.03 . 1 . . . . 34 ASP HA . 15079 1
335 . 1 1 34 34 ASP HB2 H 1 3.697 0.03 . 2 . . . . 34 ASP HB2 . 15079 1
336 . 1 1 34 34 ASP HB3 H 1 2.739 0.03 . 2 . . . . 34 ASP HB3 . 15079 1
337 . 1 1 34 34 ASP C C 13 176.933 0.3 . 1 . . . . 34 ASP C . 15079 1
338 . 1 1 34 34 ASP CA C 13 52.764 0.3 . 1 . . . . 34 ASP CA . 15079 1
339 . 1 1 34 34 ASP CB C 13 40.966 0.3 . 1 . . . . 34 ASP CB . 15079 1
340 . 1 1 34 34 ASP N N 15 122.972 0.3 . 1 . . . . 34 ASP N . 15079 1
341 . 1 1 35 35 GLN H H 1 8.548 0.03 . 1 . . . . 35 GLN H . 15079 1
342 . 1 1 35 35 GLN HA H 1 4.100 0.03 . 1 . . . . 35 GLN HA . 15079 1
343 . 1 1 35 35 GLN HB2 H 1 2.182 0.03 . 2 . . . . 35 GLN HB2 . 15079 1
344 . 1 1 35 35 GLN HB3 H 1 2.078 0.03 . 2 . . . . 35 GLN HB3 . 15079 1
345 . 1 1 35 35 GLN HG2 H 1 2.399 0.03 . 2 . . . . 35 GLN HG2 . 15079 1
346 . 1 1 35 35 GLN HG3 H 1 2.326 0.03 . 2 . . . . 35 GLN HG3 . 15079 1
347 . 1 1 35 35 GLN HE21 H 1 7.619 0.03 . 2 . . . . 35 GLN HE21 . 15079 1
348 . 1 1 35 35 GLN HE22 H 1 6.968 0.03 . 2 . . . . 35 GLN HE22 . 15079 1
349 . 1 1 35 35 GLN C C 13 176.908 0.3 . 1 . . . . 35 GLN C . 15079 1
350 . 1 1 35 35 GLN CA C 13 58.754 0.3 . 1 . . . . 35 GLN CA . 15079 1
351 . 1 1 35 35 GLN CB C 13 28.649 0.3 . 1 . . . . 35 GLN CB . 15079 1
352 . 1 1 35 35 GLN CG C 13 35.004 0.3 . 1 . . . . 35 GLN CG . 15079 1
353 . 1 1 35 35 GLN N N 15 114.399 0.3 . 1 . . . . 35 GLN N . 15079 1
354 . 1 1 35 35 GLN NE2 N 15 113.422 0.3 . 1 . . . . 35 GLN NE2 . 15079 1
355 . 1 1 36 36 GLN H H 1 8.008 0.03 . 1 . . . . 36 GLN H . 15079 1
356 . 1 1 36 36 GLN HA H 1 4.422 0.03 . 1 . . . . 36 GLN HA . 15079 1
357 . 1 1 36 36 GLN HB2 H 1 2.313 0.03 . 2 . . . . 36 GLN HB2 . 15079 1
358 . 1 1 36 36 GLN HB3 H 1 2.046 0.03 . 2 . . . . 36 GLN HB3 . 15079 1
359 . 1 1 36 36 GLN HG2 H 1 2.394 0.03 . 2 . . . . 36 GLN HG2 . 15079 1
360 . 1 1 36 36 GLN HG3 H 1 2.323 0.03 . 2 . . . . 36 GLN HG3 . 15079 1
361 . 1 1 36 36 GLN HE21 H 1 7.563 0.03 . 2 . . . . 36 GLN HE21 . 15079 1
362 . 1 1 36 36 GLN HE22 H 1 6.844 0.03 . 2 . . . . 36 GLN HE22 . 15079 1
363 . 1 1 36 36 GLN C C 13 175.865 0.3 . 1 . . . . 36 GLN C . 15079 1
364 . 1 1 36 36 GLN CA C 13 55.983 0.3 . 1 . . . . 36 GLN CA . 15079 1
365 . 1 1 36 36 GLN CB C 13 29.277 0.3 . 1 . . . . 36 GLN CB . 15079 1
366 . 1 1 36 36 GLN CG C 13 35.088 0.3 . 1 . . . . 36 GLN CG . 15079 1
367 . 1 1 36 36 GLN N N 15 117.484 0.3 . 1 . . . . 36 GLN N . 15079 1
368 . 1 1 36 36 GLN NE2 N 15 112.386 0.3 . 1 . . . . 36 GLN NE2 . 15079 1
369 . 1 1 37 37 GLY H H 1 8.122 0.03 . 1 . . . . 37 GLY H . 15079 1
370 . 1 1 37 37 GLY HA2 H 1 4.234 0.03 . 2 . . . . 37 GLY HA2 . 15079 1
371 . 1 1 37 37 GLY HA3 H 1 3.762 0.03 . 2 . . . . 37 GLY HA3 . 15079 1
372 . 1 1 37 37 GLY C C 13 174.901 0.3 . 1 . . . . 37 GLY C . 15079 1
373 . 1 1 37 37 GLY CA C 13 45.476 0.3 . 1 . . . . 37 GLY CA . 15079 1
374 . 1 1 37 37 GLY N N 15 108.368 0.3 . 1 . . . . 37 GLY N . 15079 1
375 . 1 1 38 38 ASN H H 1 8.818 0.03 . 1 . . . . 38 ASN H . 15079 1
376 . 1 1 38 38 ASN HA H 1 4.559 0.03 . 1 . . . . 38 ASN HA . 15079 1
377 . 1 1 38 38 ASN HB2 H 1 2.784 0.03 . 2 . . . . 38 ASN HB2 . 15079 1
378 . 1 1 38 38 ASN HB3 H 1 2.440 0.03 . 2 . . . . 38 ASN HB3 . 15079 1
379 . 1 1 38 38 ASN HD21 H 1 8.840 0.03 . 2 . . . . 38 ASN HD21 . 15079 1
380 . 1 1 38 38 ASN HD22 H 1 7.155 0.03 . 2 . . . . 38 ASN HD22 . 15079 1
381 . 1 1 38 38 ASN C C 13 174.871 0.3 . 1 . . . . 38 ASN C . 15079 1
382 . 1 1 38 38 ASN CA C 13 53.644 0.3 . 1 . . . . 38 ASN CA . 15079 1
383 . 1 1 38 38 ASN CB C 13 38.819 0.3 . 1 . . . . 38 ASN CB . 15079 1
384 . 1 1 38 38 ASN N N 15 121.219 0.3 . 1 . . . . 38 ASN N . 15079 1
385 . 1 1 38 38 ASN ND2 N 15 120.061 0.3 . 1 . . . . 38 ASN ND2 . 15079 1
386 . 1 1 39 39 ALA H H 1 8.696 0.03 . 1 . . . . 39 ALA H . 15079 1
387 . 1 1 39 39 ALA HA H 1 3.971 0.03 . 1 . . . . 39 ALA HA . 15079 1
388 . 1 1 39 39 ALA HB1 H 1 1.206 0.03 . 1 . . . . 39 ALA HB . 15079 1
389 . 1 1 39 39 ALA HB2 H 1 1.206 0.03 . 1 . . . . 39 ALA HB . 15079 1
390 . 1 1 39 39 ALA HB3 H 1 1.206 0.03 . 1 . . . . 39 ALA HB . 15079 1
391 . 1 1 39 39 ALA C C 13 176.345 0.3 . 1 . . . . 39 ALA C . 15079 1
392 . 1 1 39 39 ALA CA C 13 52.473 0.3 . 1 . . . . 39 ALA CA . 15079 1
393 . 1 1 39 39 ALA CB C 13 18.223 0.3 . 1 . . . . 39 ALA CB . 15079 1
394 . 1 1 39 39 ALA N N 15 126.575 0.3 . 1 . . . . 39 ALA N . 15079 1
395 . 1 1 40 40 MET H H 1 8.490 0.03 . 1 . . . . 40 MET H . 15079 1
396 . 1 1 40 40 MET HA H 1 4.641 0.03 . 1 . . . . 40 MET HA . 15079 1
397 . 1 1 40 40 MET HB2 H 1 1.471 0.03 . 2 . . . . 40 MET HB2 . 15079 1
398 . 1 1 40 40 MET HB3 H 1 0.169 0.03 . 2 . . . . 40 MET HB3 . 15079 1
399 . 1 1 40 40 MET HG2 H 1 2.155 0.03 . 2 . . . . 40 MET HG2 . 15079 1
400 . 1 1 40 40 MET HG3 H 1 2.058 0.03 . 2 . . . . 40 MET HG3 . 15079 1
401 . 1 1 40 40 MET HE1 H 1 2.055 0.03 . 1 . . . . 40 MET HE . 15079 1
402 . 1 1 40 40 MET HE2 H 1 2.055 0.03 . 1 . . . . 40 MET HE . 15079 1
403 . 1 1 40 40 MET HE3 H 1 2.055 0.03 . 1 . . . . 40 MET HE . 15079 1
404 . 1 1 40 40 MET CA C 13 53.137 0.3 . 1 . . . . 40 MET CA . 15079 1
405 . 1 1 40 40 MET CB C 13 35.868 0.3 . 1 . . . . 40 MET CB . 15079 1
406 . 1 1 40 40 MET CG C 13 32.139 0.3 . 1 . . . . 40 MET CG . 15079 1
407 . 1 1 40 40 MET CE C 13 17.369 0.3 . 1 . . . . 40 MET CE . 15079 1
408 . 1 1 40 40 MET N N 15 123.533 0.3 . 1 . . . . 40 MET N . 15079 1
409 . 1 1 41 41 GLN H H 1 8.180 0.03 . 1 . . . . 41 GLN H . 15079 1
410 . 1 1 41 41 GLN HA H 1 5.675 0.03 . 1 . . . . 41 GLN HA . 15079 1
411 . 1 1 41 41 GLN HB2 H 1 1.865 0.03 . 2 . . . . 41 GLN HB2 . 15079 1
412 . 1 1 41 41 GLN HB3 H 1 1.863 0.03 . 2 . . . . 41 GLN HB3 . 15079 1
413 . 1 1 41 41 GLN HG2 H 1 2.296 0.03 . 2 . . . . 41 GLN HG2 . 15079 1
414 . 1 1 41 41 GLN HG3 H 1 2.216 0.03 . 2 . . . . 41 GLN HG3 . 15079 1
415 . 1 1 41 41 GLN HE21 H 1 7.355 0.03 . 2 . . . . 41 GLN HE21 . 15079 1
416 . 1 1 41 41 GLN HE22 H 1 6.761 0.03 . 2 . . . . 41 GLN HE22 . 15079 1
417 . 1 1 41 41 GLN C C 13 175.023 0.3 . 1 . . . . 41 GLN C . 15079 1
418 . 1 1 41 41 GLN CA C 13 54.506 0.3 . 1 . . . . 41 GLN CA . 15079 1
419 . 1 1 41 41 GLN CB C 13 33.595 0.3 . 1 . . . . 41 GLN CB . 15079 1
420 . 1 1 41 41 GLN CG C 13 34.315 0.3 . 1 . . . . 41 GLN CG . 15079 1
421 . 1 1 41 41 GLN N N 15 116.554 0.3 . 1 . . . . 41 GLN N . 15079 1
422 . 1 1 41 41 GLN NE2 N 15 112.320 0.3 . 1 . . . . 41 GLN NE2 . 15079 1
423 . 1 1 42 42 ILE H H 1 9.081 0.03 . 1 . . . . 42 ILE H . 15079 1
424 . 1 1 42 42 ILE HA H 1 4.632 0.03 . 1 . . . . 42 ILE HA . 15079 1
425 . 1 1 42 42 ILE HB H 1 1.927 0.03 . 1 . . . . 42 ILE HB . 15079 1
426 . 1 1 42 42 ILE HG12 H 1 1.768 0.03 . 2 . . . . 42 ILE HG12 . 15079 1
427 . 1 1 42 42 ILE HG13 H 1 1.353 0.03 . 2 . . . . 42 ILE HG13 . 15079 1
428 . 1 1 42 42 ILE HG21 H 1 0.715 0.03 . 1 . . . . 42 ILE HG2 . 15079 1
429 . 1 1 42 42 ILE HG22 H 1 0.715 0.03 . 1 . . . . 42 ILE HG2 . 15079 1
430 . 1 1 42 42 ILE HG23 H 1 0.715 0.03 . 1 . . . . 42 ILE HG2 . 15079 1
431 . 1 1 42 42 ILE HD11 H 1 0.747 0.03 . 1 . . . . 42 ILE HD1 . 15079 1
432 . 1 1 42 42 ILE HD12 H 1 0.747 0.03 . 1 . . . . 42 ILE HD1 . 15079 1
433 . 1 1 42 42 ILE HD13 H 1 0.747 0.03 . 1 . . . . 42 ILE HD1 . 15079 1
434 . 1 1 42 42 ILE C C 13 172.557 0.3 . 1 . . . . 42 ILE C . 15079 1
435 . 1 1 42 42 ILE CA C 13 59.994 0.3 . 1 . . . . 42 ILE CA . 15079 1
436 . 1 1 42 42 ILE CB C 13 42.423 0.3 . 1 . . . . 42 ILE CB . 15079 1
437 . 1 1 42 42 ILE CG1 C 13 28.013 0.3 . 1 . . . . 42 ILE CG1 . 15079 1
438 . 1 1 42 42 ILE CG2 C 13 16.184 0.3 . 1 . . . . 42 ILE CG2 . 15079 1
439 . 1 1 42 42 ILE CD1 C 13 14.268 0.3 . 1 . . . . 42 ILE CD1 . 15079 1
440 . 1 1 42 42 ILE N N 15 121.235 0.3 . 1 . . . . 42 ILE N . 15079 1
441 . 1 1 43 43 ASN H H 1 8.833 0.03 . 1 . . . . 43 ASN H . 15079 1
442 . 1 1 43 43 ASN HA H 1 4.671 0.03 . 1 . . . . 43 ASN HA . 15079 1
443 . 1 1 43 43 ASN HB2 H 1 2.875 0.03 . 2 . . . . 43 ASN HB2 . 15079 1
444 . 1 1 43 43 ASN HB3 H 1 2.801 0.03 . 2 . . . . 43 ASN HB3 . 15079 1
445 . 1 1 43 43 ASN HD21 H 1 7.744 0.03 . 2 . . . . 43 ASN HD21 . 15079 1
446 . 1 1 43 43 ASN HD22 H 1 6.938 0.03 . 2 . . . . 43 ASN HD22 . 15079 1
447 . 1 1 43 43 ASN C C 13 176.917 0.3 . 1 . . . . 43 ASN C . 15079 1
448 . 1 1 43 43 ASN CA C 13 54.732 0.3 . 1 . . . . 43 ASN CA . 15079 1
449 . 1 1 43 43 ASN CB C 13 38.351 0.3 . 1 . . . . 43 ASN CB . 15079 1
450 . 1 1 43 43 ASN N N 15 125.983 0.3 . 1 . . . . 43 ASN N . 15079 1
451 . 1 1 43 43 ASN ND2 N 15 112.728 0.3 . 1 . . . . 43 ASN ND2 . 15079 1
452 . 1 1 44 44 ARG H H 1 9.012 0.03 . 1 . . . . 44 ARG H . 15079 1
453 . 1 1 44 44 ARG HA H 1 3.717 0.03 . 1 . . . . 44 ARG HA . 15079 1
454 . 1 1 44 44 ARG HB2 H 1 1.667 0.03 . 2 . . . . 44 ARG HB2 . 15079 1
455 . 1 1 44 44 ARG HB3 H 1 1.673 0.03 . 2 . . . . 44 ARG HB3 . 15079 1
456 . 1 1 44 44 ARG HG2 H 1 1.795 0.03 . 1 . . . . 44 ARG HG2 . 15079 1
457 . 1 1 44 44 ARG HG3 H 1 1.795 0.03 . 1 . . . . 44 ARG HG3 . 15079 1
458 . 1 1 44 44 ARG HD2 H 1 3.067 0.03 . 2 . . . . 44 ARG HD2 . 15079 1
459 . 1 1 44 44 ARG HD3 H 1 3.012 0.03 . 2 . . . . 44 ARG HD3 . 15079 1
460 . 1 1 44 44 ARG HE H 1 6.767 0.03 . 1 . . . . 44 ARG HE . 15079 1
461 . 1 1 44 44 ARG CA C 13 59.588 0.3 . 1 . . . . 44 ARG CA . 15079 1
462 . 1 1 44 44 ARG CB C 13 29.543 0.3 . 1 . . . . 44 ARG CB . 15079 1
463 . 1 1 44 44 ARG CG C 13 26.388 0.3 . 1 . . . . 44 ARG CG . 15079 1
464 . 1 1 44 44 ARG CD C 13 43.682 0.3 . 1 . . . . 44 ARG CD . 15079 1
465 . 1 1 44 44 ARG N N 15 126.736 0.3 . 1 . . . . 44 ARG N . 15079 1
466 . 1 1 44 44 ARG NE N 15 89.8 0.3 . 1 . . . . 44 ARG NE . 15079 1
467 . 1 1 45 45 ASP H H 1 8.777 0.03 . 1 . . . . 45 ASP H . 15079 1
468 . 1 1 45 45 ASP HA H 1 4.375 0.03 . 1 . . . . 45 ASP HA . 15079 1
469 . 1 1 45 45 ASP HB2 H 1 2.643 0.03 . 2 . . . . 45 ASP HB2 . 15079 1
470 . 1 1 45 45 ASP HB3 H 1 2.465 0.03 . 2 . . . . 45 ASP HB3 . 15079 1
471 . 1 1 45 45 ASP C C 13 176.180 0.3 . 1 . . . . 45 ASP C . 15079 1
472 . 1 1 45 45 ASP CA C 13 56.563 0.3 . 1 . . . . 45 ASP CA . 15079 1
473 . 1 1 45 45 ASP CB C 13 40.550 0.3 . 1 . . . . 45 ASP CB . 15079 1
474 . 1 1 45 45 ASP N N 15 116.496 0.3 . 1 . . . . 45 ASP N . 15079 1
475 . 1 1 46 46 ASP H H 1 7.742 0.03 . 1 . . . . 46 ASP H . 15079 1
476 . 1 1 46 46 ASP HA H 1 4.713 0.03 . 1 . . . . 46 ASP HA . 15079 1
477 . 1 1 46 46 ASP HB2 H 1 2.899 0.03 . 2 . . . . 46 ASP HB2 . 15079 1
478 . 1 1 46 46 ASP HB3 H 1 2.810 0.03 . 2 . . . . 46 ASP HB3 . 15079 1
479 . 1 1 46 46 ASP CA C 13 55.141 0.3 . 1 . . . . 46 ASP CA . 15079 1
480 . 1 1 46 46 ASP CB C 13 41.579 0.3 . 1 . . . . 46 ASP CB . 15079 1
481 . 1 1 46 46 ASP N N 15 116.007 0.3 . 1 . . . . 46 ASP N . 15079 1
482 . 1 1 47 47 VAL H H 1 7.845 0.03 . 1 . . . . 47 VAL H . 15079 1
483 . 1 1 47 47 VAL HA H 1 3.865 0.03 . 1 . . . . 47 VAL HA . 15079 1
484 . 1 1 47 47 VAL HB H 1 2.151 0.03 . 1 . . . . 47 VAL HB . 15079 1
485 . 1 1 47 47 VAL HG11 H 1 0.814 0.03 . 1 . . . . 47 VAL HG1 . 15079 1
486 . 1 1 47 47 VAL HG12 H 1 0.814 0.03 . 1 . . . . 47 VAL HG1 . 15079 1
487 . 1 1 47 47 VAL HG13 H 1 0.814 0.03 . 1 . . . . 47 VAL HG1 . 15079 1
488 . 1 1 47 47 VAL HG21 H 1 0.740 0.03 . 1 . . . . 47 VAL HG2 . 15079 1
489 . 1 1 47 47 VAL HG22 H 1 0.740 0.03 . 1 . . . . 47 VAL HG2 . 15079 1
490 . 1 1 47 47 VAL HG23 H 1 0.740 0.03 . 1 . . . . 47 VAL HG2 . 15079 1
491 . 1 1 47 47 VAL CA C 13 63.683 0.3 . 1 . . . . 47 VAL CA . 15079 1
492 . 1 1 47 47 VAL CB C 13 33.102 0.3 . 1 . . . . 47 VAL CB . 15079 1
493 . 1 1 47 47 VAL CG1 C 13 22.985 0.3 . 1 . . . . 47 VAL CG1 . 15079 1
494 . 1 1 47 47 VAL CG2 C 13 22.730 0.3 . 1 . . . . 47 VAL CG2 . 15079 1
495 . 1 1 47 47 VAL N N 15 122.763 0.3 . 1 . . . . 47 VAL N . 15079 1
496 . 1 1 48 48 SER H H 1 9.168 0.03 . 1 . . . . 48 SER H . 15079 1
497 . 1 1 48 48 SER HA H 1 4.674 0.03 . 1 . . . . 48 SER HA . 15079 1
498 . 1 1 48 48 SER HB2 H 1 3.643 0.03 . 2 . . . . 48 SER HB2 . 15079 1
499 . 1 1 48 48 SER HB3 H 1 3.566 0.03 . 2 . . . . 48 SER HB3 . 15079 1
500 . 1 1 48 48 SER CA C 13 58.815 0.3 . 1 . . . . 48 SER CA . 15079 1
501 . 1 1 48 48 SER CB C 13 64.396 0.3 . 1 . . . . 48 SER CB . 15079 1
502 . 1 1 48 48 SER N N 15 120.109 0.3 . 1 . . . . 48 SER N . 15079 1
503 . 1 1 49 49 GLN H H 1 7.919 0.03 . 1 . . . . 49 GLN H . 15079 1
504 . 1 1 49 49 GLN N N 15 116.294 0.3 . 1 . . . . 49 GLN N . 15079 1
505 . 1 1 50 50 ILE HA H 1 4.573 0.03 . 1 . . . . 50 ILE HA . 15079 1
506 . 1 1 50 50 ILE HG21 H 1 0.949 0.03 . 1 . . . . 50 ILE HG2 . 15079 1
507 . 1 1 50 50 ILE HG22 H 1 0.949 0.03 . 1 . . . . 50 ILE HG2 . 15079 1
508 . 1 1 50 50 ILE HG23 H 1 0.949 0.03 . 1 . . . . 50 ILE HG2 . 15079 1
509 . 1 1 50 50 ILE HD11 H 1 0.748 0.03 . 1 . . . . 50 ILE HD1 . 15079 1
510 . 1 1 50 50 ILE HD12 H 1 0.748 0.03 . 1 . . . . 50 ILE HD1 . 15079 1
511 . 1 1 50 50 ILE HD13 H 1 0.748 0.03 . 1 . . . . 50 ILE HD1 . 15079 1
512 . 1 1 50 50 ILE CA C 13 61.632 0.3 . 1 . . . . 50 ILE CA . 15079 1
513 . 1 1 50 50 ILE CB C 13 39.408 0.3 . 1 . . . . 50 ILE CB . 15079 1
514 . 1 1 50 50 ILE CG1 C 13 28.155 0.3 . 1 . . . . 50 ILE CG1 . 15079 1
515 . 1 1 50 50 ILE CG2 C 13 17.962 0.3 . 1 . . . . 50 ILE CG2 . 15079 1
516 . 1 1 50 50 ILE CD1 C 13 13.225 0.3 . 1 . . . . 50 ILE CD1 . 15079 1
517 . 1 1 51 51 ILE HA H 1 4.483 0.03 . 1 . . . . 51 ILE HA . 15079 1
518 . 1 1 51 51 ILE HB H 1 1.881 0.03 . 1 . . . . 51 ILE HB . 15079 1
519 . 1 1 51 51 ILE HG12 H 1 1.378 0.03 . 2 . . . . 51 ILE HG12 . 15079 1
520 . 1 1 51 51 ILE HG13 H 1 0.938 0.03 . 2 . . . . 51 ILE HG13 . 15079 1
521 . 1 1 51 51 ILE HG21 H 1 0.680 0.03 . 1 . . . . 51 ILE HG2 . 15079 1
522 . 1 1 51 51 ILE HG22 H 1 0.680 0.03 . 1 . . . . 51 ILE HG2 . 15079 1
523 . 1 1 51 51 ILE HG23 H 1 0.680 0.03 . 1 . . . . 51 ILE HG2 . 15079 1
524 . 1 1 51 51 ILE HD11 H 1 0.770 0.03 . 1 . . . . 51 ILE HD1 . 15079 1
525 . 1 1 51 51 ILE HD12 H 1 0.770 0.03 . 1 . . . . 51 ILE HD1 . 15079 1
526 . 1 1 51 51 ILE HD13 H 1 0.770 0.03 . 1 . . . . 51 ILE HD1 . 15079 1
527 . 1 1 51 51 ILE CA C 13 61.433 0.3 . 1 . . . . 51 ILE CA . 15079 1
528 . 1 1 51 51 ILE CB C 13 40.807 0.3 . 1 . . . . 51 ILE CB . 15079 1
529 . 1 1 51 51 ILE CG1 C 13 28.362 0.3 . 1 . . . . 51 ILE CG1 . 15079 1
530 . 1 1 51 51 ILE CG2 C 13 17.864 0.3 . 1 . . . . 51 ILE CG2 . 15079 1
531 . 1 1 51 51 ILE CD1 C 13 14.209 0.3 . 1 . . . . 51 ILE CD1 . 15079 1
532 . 1 1 52 52 GLU C C 13 176.891 0.3 . 1 . . . . 52 GLU C . 15079 1
533 . 1 1 53 53 ARG H H 1 8.450 0.03 . 1 . . . . 53 ARG H . 15079 1
534 . 1 1 53 53 ARG HA H 1 4.184 0.03 . 1 . . . . 53 ARG HA . 15079 1
535 . 1 1 53 53 ARG CA C 13 56.22 0.3 . 1 . . . . 53 ARG CA . 15079 1
536 . 1 1 53 53 ARG CB C 13 30.56 0.3 . 1 . . . . 53 ARG CB . 15079 1
537 . 1 1 53 53 ARG N N 15 121.410 0.3 . 1 . . . . 53 ARG N . 15079 1
538 . 1 1 54 54 LEU HA H 1 4.205 0.03 . 1 . . . . 54 LEU HA . 15079 1
539 . 1 1 54 54 LEU HB2 H 1 1.442 0.03 . 1 . . . . 54 LEU HB2 . 15079 1
540 . 1 1 54 54 LEU HB3 H 1 1.442 0.03 . 1 . . . . 54 LEU HB3 . 15079 1
541 . 1 1 54 54 LEU HG H 1 1.285 0.03 . 1 . . . . 54 LEU HG . 15079 1
542 . 1 1 54 54 LEU HD11 H 1 0.702 0.03 . 2 . . . . 54 LEU HD1 . 15079 1
543 . 1 1 54 54 LEU HD12 H 1 0.702 0.03 . 2 . . . . 54 LEU HD1 . 15079 1
544 . 1 1 54 54 LEU HD13 H 1 0.702 0.03 . 2 . . . . 54 LEU HD1 . 15079 1
545 . 1 1 54 54 LEU HD21 H 1 0.670 0.03 . 2 . . . . 54 LEU HD2 . 15079 1
546 . 1 1 54 54 LEU HD22 H 1 0.670 0.03 . 2 . . . . 54 LEU HD2 . 15079 1
547 . 1 1 54 54 LEU HD23 H 1 0.670 0.03 . 2 . . . . 54 LEU HD2 . 15079 1
548 . 1 1 54 54 LEU CA C 13 56.072 0.3 . 1 . . . . 54 LEU CA . 15079 1
549 . 1 1 54 54 LEU CB C 13 41.969 0.3 . 1 . . . . 54 LEU CB . 15079 1
550 . 1 1 54 54 LEU CG C 13 29.060 0.3 . 1 . . . . 54 LEU CG . 15079 1
551 . 1 1 54 54 LEU CD1 C 13 25.038 0.3 . 2 . . . . 54 LEU CD1 . 15079 1
552 . 1 1 54 54 LEU CD2 C 13 23.652 0.3 . 2 . . . . 54 LEU CD2 . 15079 1
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