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 18649
_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 '2D 1H-15N HSQC' . . . 18649 1
2 '2D 1H-13C HSQC' . . . 18649 1
3 '3D HNCACB' . . . 18649 1
4 '3D HBHA(CO)NH' . . . 18649 1
5 '3D HNCO' . . . 18649 1
6 '3D HCCH-TOCSY' . . . 18649 1
7 '3D HNHA' . . . 18649 1
8 '3D H(CCO)NH' . . . 18649 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 4.345 0.007 . . . . . . 2 ALA HA . 18649 1
2 . 1 1 2 2 ALA HB1 H 1 1.425 0.003 . . . . . . 2 ALA QB . 18649 1
3 . 1 1 2 2 ALA HB2 H 1 1.425 0.003 . . . . . . 2 ALA QB . 18649 1
4 . 1 1 2 2 ALA HB3 H 1 1.425 0.003 . . . . . . 2 ALA QB . 18649 1
5 . 1 1 2 2 ALA C C 13 177.782 0.000 . . . . . . 2 ALA C . 18649 1
6 . 1 1 2 2 ALA CA C 13 52.753 0.057 . . . . . . 2 ALA CA . 18649 1
7 . 1 1 2 2 ALA CB C 13 19.428 0.158 . . . . . . 2 ALA CB . 18649 1
8 . 1 1 3 3 MET H H 1 8.576 0.004 . . . . . . 3 MET H . 18649 1
9 . 1 1 3 3 MET HA H 1 4.364 0.005 . . . . . . 3 MET HA . 18649 1
10 . 1 1 3 3 MET HB2 H 1 2.051 0.005 . . . . . . 3 MET QB . 18649 1
11 . 1 1 3 3 MET HB3 H 1 2.051 0.005 . . . . . . 3 MET QB . 18649 1
12 . 1 1 3 3 MET HG2 H 1 2.630 0.002 . . . . . . 3 MET HG2 . 18649 1
13 . 1 1 3 3 MET HG3 H 1 2.574 0.010 . . . . . . 3 MET HG3 . 18649 1
14 . 1 1 3 3 MET HE1 H 1 2.064 0.001 . . . . . . 3 MET QE . 18649 1
15 . 1 1 3 3 MET HE2 H 1 2.064 0.001 . . . . . . 3 MET QE . 18649 1
16 . 1 1 3 3 MET HE3 H 1 2.064 0.001 . . . . . . 3 MET QE . 18649 1
17 . 1 1 3 3 MET C C 13 175.698 0.000 . . . . . . 3 MET C . 18649 1
18 . 1 1 3 3 MET CA C 13 56.015 0.053 . . . . . . 3 MET CA . 18649 1
19 . 1 1 3 3 MET CB C 13 33.145 0.069 . . . . . . 3 MET CB . 18649 1
20 . 1 1 3 3 MET CG C 13 32.567 0.099 . . . . . . 3 MET CG . 18649 1
21 . 1 1 3 3 MET CE C 13 17.195 0.046 . . . . . . 3 MET CE . 18649 1
22 . 1 1 3 3 MET N N 15 121.531 0.054 . . . . . . 3 MET N . 18649 1
23 . 1 1 4 4 ALA H H 1 8.364 0.009 . . . . . . 4 ALA H . 18649 1
24 . 1 1 4 4 ALA HA H 1 4.309 0.006 . . . . . . 4 ALA HA . 18649 1
25 . 1 1 4 4 ALA HB1 H 1 1.521 0.010 . . . . . . 4 ALA QB . 18649 1
26 . 1 1 4 4 ALA HB2 H 1 1.521 0.010 . . . . . . 4 ALA QB . 18649 1
27 . 1 1 4 4 ALA HB3 H 1 1.521 0.010 . . . . . . 4 ALA QB . 18649 1
28 . 1 1 4 4 ALA C C 13 178.075 0.000 . . . . . . 4 ALA C . 18649 1
29 . 1 1 4 4 ALA CA C 13 52.423 0.110 . . . . . . 4 ALA CA . 18649 1
30 . 1 1 4 4 ALA CB C 13 19.176 0.147 . . . . . . 4 ALA CB . 18649 1
31 . 1 1 4 4 ALA N N 15 127.201 0.065 . . . . . . 4 ALA N . 18649 1
32 . 1 1 5 5 LYS H H 1 8.432 0.005 . . . . . . 5 LYS H . 18649 1
33 . 1 1 5 5 LYS HA H 1 4.039 0.003 . . . . . . 5 LYS HA . 18649 1
34 . 1 1 5 5 LYS HB2 H 1 1.862 0.004 . . . . . . 5 LYS QB . 18649 1
35 . 1 1 5 5 LYS HB3 H 1 1.862 0.004 . . . . . . 5 LYS QB . 18649 1
36 . 1 1 5 5 LYS HG2 H 1 1.536 0.005 . . . . . . 5 LYS HG2 . 18649 1
37 . 1 1 5 5 LYS HG3 H 1 1.455 0.010 . . . . . . 5 LYS HG3 . 18649 1
38 . 1 1 5 5 LYS HD2 H 1 1.714 0.002 . . . . . . 5 LYS QD . 18649 1
39 . 1 1 5 5 LYS HD3 H 1 1.714 0.002 . . . . . . 5 LYS QD . 18649 1
40 . 1 1 5 5 LYS HE2 H 1 2.977 0.009 . . . . . . 5 LYS QE . 18649 1
41 . 1 1 5 5 LYS HE3 H 1 2.977 0.009 . . . . . . 5 LYS QE . 18649 1
42 . 1 1 5 5 LYS C C 13 177.954 0.000 . . . . . . 5 LYS C . 18649 1
43 . 1 1 5 5 LYS CA C 13 59.110 0.083 . . . . . . 5 LYS CA . 18649 1
44 . 1 1 5 5 LYS CB C 13 32.523 0.069 . . . . . . 5 LYS CB . 18649 1
45 . 1 1 5 5 LYS CG C 13 25.296 0.051 . . . . . . 5 LYS CG . 18649 1
46 . 1 1 5 5 LYS CD C 13 28.758 0.087 . . . . . . 5 LYS CD . 18649 1
47 . 1 1 5 5 LYS CE C 13 41.803 0.159 . . . . . . 5 LYS CE . 18649 1
48 . 1 1 5 5 LYS N N 15 122.959 0.067 . . . . . . 5 LYS N . 18649 1
49 . 1 1 6 6 GLY H H 1 8.814 0.007 . . . . . . 6 GLY H . 18649 1
50 . 1 1 6 6 GLY HA2 H 1 3.892 0.006 . . . . . . 6 GLY HA2 . 18649 1
51 . 1 1 6 6 GLY HA3 H 1 3.749 0.003 . . . . . . 6 GLY HA3 . 18649 1
52 . 1 1 6 6 GLY C C 13 174.922 0.000 . . . . . . 6 GLY C . 18649 1
53 . 1 1 6 6 GLY CA C 13 47.025 0.110 . . . . . . 6 GLY CA . 18649 1
54 . 1 1 6 6 GLY N N 15 108.626 0.037 . . . . . . 6 GLY N . 18649 1
55 . 1 1 7 7 ALA H H 1 7.724 0.019 . . . . . . 7 ALA H . 18649 1
56 . 1 1 7 7 ALA HA H 1 4.136 0.006 . . . . . . 7 ALA HA . 18649 1
57 . 1 1 7 7 ALA HB1 H 1 1.524 0.022 . . . . . . 7 ALA QB . 18649 1
58 . 1 1 7 7 ALA HB2 H 1 1.524 0.022 . . . . . . 7 ALA QB . 18649 1
59 . 1 1 7 7 ALA HB3 H 1 1.524 0.022 . . . . . . 7 ALA QB . 18649 1
60 . 1 1 7 7 ALA C C 13 178.490 0.000 . . . . . . 7 ALA C . 18649 1
61 . 1 1 7 7 ALA CA C 13 54.643 0.126 . . . . . . 7 ALA CA . 18649 1
62 . 1 1 7 7 ALA CB C 13 18.743 0.098 . . . . . . 7 ALA CB . 18649 1
63 . 1 1 7 7 ALA N N 15 124.659 0.062 . . . . . . 7 ALA N . 18649 1
64 . 1 1 8 8 ILE H H 1 7.778 0.004 . . . . . . 8 ILE H . 18649 1
65 . 1 1 8 8 ILE HA H 1 3.756 0.006 . . . . . . 8 ILE HA . 18649 1
66 . 1 1 8 8 ILE HB H 1 2.062 0.009 . . . . . . 8 ILE HB . 18649 1
67 . 1 1 8 8 ILE HG12 H 1 1.733 0.005 . . . . . . 8 ILE HG12 . 18649 1
68 . 1 1 8 8 ILE HG13 H 1 1.192 0.008 . . . . . . 8 ILE HG13 . 18649 1
69 . 1 1 8 8 ILE HG21 H 1 0.971 0.010 . . . . . . 8 ILE QG2 . 18649 1
70 . 1 1 8 8 ILE HG22 H 1 0.971 0.010 . . . . . . 8 ILE QG2 . 18649 1
71 . 1 1 8 8 ILE HG23 H 1 0.971 0.010 . . . . . . 8 ILE QG2 . 18649 1
72 . 1 1 8 8 ILE HD11 H 1 0.898 0.004 . . . . . . 8 ILE QD1 . 18649 1
73 . 1 1 8 8 ILE HD12 H 1 0.898 0.004 . . . . . . 8 ILE QD1 . 18649 1
74 . 1 1 8 8 ILE HD13 H 1 0.898 0.004 . . . . . . 8 ILE QD1 . 18649 1
75 . 1 1 8 8 ILE C C 13 177.438 0.000 . . . . . . 8 ILE C . 18649 1
76 . 1 1 8 8 ILE CA C 13 64.505 0.115 . . . . . . 8 ILE CA . 18649 1
77 . 1 1 8 8 ILE CB C 13 37.502 0.065 . . . . . . 8 ILE CB . 18649 1
78 . 1 1 8 8 ILE CG1 C 13 29.109 0.151 . . . . . . 8 ILE CG1 . 18649 1
79 . 1 1 8 8 ILE CG2 C 13 17.756 0.122 . . . . . . 8 ILE CG2 . 18649 1
80 . 1 1 8 8 ILE CD1 C 13 12.990 0.112 . . . . . . 8 ILE CD1 . 18649 1
81 . 1 1 8 8 ILE N N 15 119.276 0.040 . . . . . . 8 ILE N . 18649 1
82 . 1 1 9 9 ILE H H 1 8.093 0.004 . . . . . . 9 ILE H . 18649 1
83 . 1 1 9 9 ILE HA H 1 3.731 0.009 . . . . . . 9 ILE HA . 18649 1
84 . 1 1 9 9 ILE HB H 1 1.990 0.009 . . . . . . 9 ILE HB . 18649 1
85 . 1 1 9 9 ILE HG12 H 1 1.811 0.006 . . . . . . 9 ILE HG12 . 18649 1
86 . 1 1 9 9 ILE HG13 H 1 1.171 0.005 . . . . . . 9 ILE HG13 . 18649 1
87 . 1 1 9 9 ILE HG21 H 1 0.916 0.012 . . . . . . 9 ILE QG2 . 18649 1
88 . 1 1 9 9 ILE HG22 H 1 0.916 0.012 . . . . . . 9 ILE QG2 . 18649 1
89 . 1 1 9 9 ILE HG23 H 1 0.916 0.012 . . . . . . 9 ILE QG2 . 18649 1
90 . 1 1 9 9 ILE HD11 H 1 0.874 0.006 . . . . . . 9 ILE QD1 . 18649 1
91 . 1 1 9 9 ILE HD12 H 1 0.874 0.006 . . . . . . 9 ILE QD1 . 18649 1
92 . 1 1 9 9 ILE HD13 H 1 0.874 0.006 . . . . . . 9 ILE QD1 . 18649 1
93 . 1 1 9 9 ILE C C 13 177.757 0.000 . . . . . . 9 ILE C . 18649 1
94 . 1 1 9 9 ILE CA C 13 64.941 0.103 . . . . . . 9 ILE CA . 18649 1
95 . 1 1 9 9 ILE CB C 13 37.331 0.091 . . . . . . 9 ILE CB . 18649 1
96 . 1 1 9 9 ILE CG1 C 13 29.238 0.033 . . . . . . 9 ILE CG1 . 18649 1
97 . 1 1 9 9 ILE CG2 C 13 17.709 0.101 . . . . . . 9 ILE CG2 . 18649 1
98 . 1 1 9 9 ILE CD1 C 13 13.127 0.092 . . . . . . 9 ILE CD1 . 18649 1
99 . 1 1 9 9 ILE N N 15 121.516 0.060 . . . . . . 9 ILE N . 18649 1
100 . 1 1 10 10 GLY H H 1 8.350 0.011 . . . . . . 10 GLY H . 18649 1
101 . 1 1 10 10 GLY HA2 H 1 3.656 0.005 . . . . . . 10 GLY QA . 18649 1
102 . 1 1 10 10 GLY HA3 H 1 3.656 0.005 . . . . . . 10 GLY QA . 18649 1
103 . 1 1 10 10 GLY C C 13 174.618 0.000 . . . . . . 10 GLY C . 18649 1
104 . 1 1 10 10 GLY CA C 13 47.744 0.074 . . . . . . 10 GLY CA . 18649 1
105 . 1 1 10 10 GLY N N 15 108.932 0.139 . . . . . . 10 GLY N . 18649 1
106 . 1 1 11 11 LEU H H 1 8.223 0.008 . . . . . . 11 LEU H . 18649 1
107 . 1 1 11 11 LEU HA H 1 4.044 0.005 . . . . . . 11 LEU HA . 18649 1
108 . 1 1 11 11 LEU HB2 H 1 1.964 0.007 . . . . . . 11 LEU HB2 . 18649 1
109 . 1 1 11 11 LEU HB3 H 1 1.575 0.002 . . . . . . 11 LEU HB3 . 18649 1
110 . 1 1 11 11 LEU HG H 1 1.884 0.008 . . . . . . 11 LEU HG . 18649 1
111 . 1 1 11 11 LEU HD11 H 1 0.918 0.008 . . . . . . 11 LEU QD1 . 18649 1
112 . 1 1 11 11 LEU HD12 H 1 0.918 0.008 . . . . . . 11 LEU QD1 . 18649 1
113 . 1 1 11 11 LEU HD13 H 1 0.918 0.008 . . . . . . 11 LEU QD1 . 18649 1
114 . 1 1 11 11 LEU HD21 H 1 0.882 0.013 . . . . . . 11 LEU QD2 . 18649 1
115 . 1 1 11 11 LEU HD22 H 1 0.882 0.013 . . . . . . 11 LEU QD2 . 18649 1
116 . 1 1 11 11 LEU HD23 H 1 0.882 0.013 . . . . . . 11 LEU QD2 . 18649 1
117 . 1 1 11 11 LEU C C 13 178.368 0.000 . . . . . . 11 LEU C . 18649 1
118 . 1 1 11 11 LEU CA C 13 58.186 0.123 . . . . . . 11 LEU CA . 18649 1
119 . 1 1 11 11 LEU CB C 13 41.985 0.125 . . . . . . 11 LEU CB . 18649 1
120 . 1 1 11 11 LEU CG C 13 26.887 0.121 . . . . . . 11 LEU CG . 18649 1
121 . 1 1 11 11 LEU CD1 C 13 25.252 0.205 . . . . . . 11 LEU CD1 . 18649 1
122 . 1 1 11 11 LEU CD2 C 13 24.413 0.165 . . . . . . 11 LEU CD2 . 18649 1
123 . 1 1 11 11 LEU N N 15 123.445 0.077 . . . . . . 11 LEU N . 18649 1
124 . 1 1 12 12 MET H H 1 8.147 0.005 . . . . . . 12 MET H . 18649 1
125 . 1 1 12 12 MET HA H 1 4.064 0.013 . . . . . . 12 MET HA . 18649 1
126 . 1 1 12 12 MET HB2 H 1 2.336 0.006 . . . . . . 12 MET HB2 . 18649 1
127 . 1 1 12 12 MET HB3 H 1 2.050 0.006 . . . . . . 12 MET HB3 . 18649 1
128 . 1 1 12 12 MET HG2 H 1 2.807 0.007 . . . . . . 12 MET HG2 . 18649 1
129 . 1 1 12 12 MET HG3 H 1 2.403 0.006 . . . . . . 12 MET HG3 . 18649 1
130 . 1 1 12 12 MET HE1 H 1 1.944 0.011 . . . . . . 12 MET QE . 18649 1
131 . 1 1 12 12 MET HE2 H 1 1.944 0.011 . . . . . . 12 MET QE . 18649 1
132 . 1 1 12 12 MET HE3 H 1 1.944 0.011 . . . . . . 12 MET QE . 18649 1
133 . 1 1 12 12 MET C C 13 177.568 0.000 . . . . . . 12 MET C . 18649 1
134 . 1 1 12 12 MET CA C 13 59.321 0.072 . . . . . . 12 MET CA . 18649 1
135 . 1 1 12 12 MET CB C 13 32.672 0.169 . . . . . . 12 MET CB . 18649 1
136 . 1 1 12 12 MET CG C 13 32.994 0.050 . . . . . . 12 MET CG . 18649 1
137 . 1 1 12 12 MET CE C 13 17.262 0.100 . . . . . . 12 MET CE . 18649 1
138 . 1 1 12 12 MET N N 15 119.782 0.158 . . . . . . 12 MET N . 18649 1
139 . 1 1 13 13 VAL H H 1 8.544 0.003 . . . . . . 13 VAL H . 18649 1
140 . 1 1 13 13 VAL HA H 1 3.484 0.007 . . . . . . 13 VAL HA . 18649 1
141 . 1 1 13 13 VAL HB H 1 2.192 0.008 . . . . . . 13 VAL HB . 18649 1
142 . 1 1 13 13 VAL HG11 H 1 0.867 0.005 . . . . . . 13 VAL QG1 . 18649 1
143 . 1 1 13 13 VAL HG12 H 1 0.867 0.005 . . . . . . 13 VAL QG1 . 18649 1
144 . 1 1 13 13 VAL HG13 H 1 0.867 0.005 . . . . . . 13 VAL QG1 . 18649 1
145 . 1 1 13 13 VAL HG21 H 1 1.048 0.012 . . . . . . 13 VAL QG2 . 18649 1
146 . 1 1 13 13 VAL HG22 H 1 1.048 0.012 . . . . . . 13 VAL QG2 . 18649 1
147 . 1 1 13 13 VAL HG23 H 1 1.048 0.012 . . . . . . 13 VAL QG2 . 18649 1
148 . 1 1 13 13 VAL C C 13 177.871 0.000 . . . . . . 13 VAL C . 18649 1
149 . 1 1 13 13 VAL CA C 13 67.099 0.135 . . . . . . 13 VAL CA . 18649 1
150 . 1 1 13 13 VAL CB C 13 31.312 0.091 . . . . . . 13 VAL CB . 18649 1
151 . 1 1 13 13 VAL CG1 C 13 21.292 0.116 . . . . . . 13 VAL CG1 . 18649 1
152 . 1 1 13 13 VAL CG2 C 13 23.171 0.079 . . . . . . 13 VAL CG2 . 18649 1
153 . 1 1 13 13 VAL N N 15 120.255 0.081 . . . . . . 13 VAL N . 18649 1
154 . 1 1 14 14 GLY H H 1 8.672 0.006 . . . . . . 14 GLY H . 18649 1
155 . 1 1 14 14 GLY HA2 H 1 3.560 0.007 . . . . . . 14 GLY QA . 18649 1
156 . 1 1 14 14 GLY HA3 H 1 3.560 0.007 . . . . . . 14 GLY QA . 18649 1
157 . 1 1 14 14 GLY C C 13 174.850 0.000 . . . . . . 14 GLY C . 18649 1
158 . 1 1 14 14 GLY CA C 13 47.434 0.087 . . . . . . 14 GLY CA . 18649 1
159 . 1 1 14 14 GLY N N 15 108.612 0.051 . . . . . . 14 GLY N . 18649 1
160 . 1 1 15 15 GLY H H 1 8.693 0.002 . . . . . . 15 GLY H . 18649 1
161 . 1 1 15 15 GLY HA2 H 1 3.647 0.009 . . . . . . 15 GLY HA2 . 18649 1
162 . 1 1 15 15 GLY HA3 H 1 3.591 0.003 . . . . . . 15 GLY HA3 . 18649 1
163 . 1 1 15 15 GLY C C 13 174.325 0.000 . . . . . . 15 GLY C . 18649 1
164 . 1 1 15 15 GLY CA C 13 47.400 0.069 . . . . . . 15 GLY CA . 18649 1
165 . 1 1 15 15 GLY N N 15 110.823 0.040 . . . . . . 15 GLY N . 18649 1
166 . 1 1 16 16 VAL H H 1 8.155 0.005 . . . . . . 16 VAL H . 18649 1
167 . 1 1 16 16 VAL HA H 1 3.592 0.009 . . . . . . 16 VAL HA . 18649 1
168 . 1 1 16 16 VAL HB H 1 2.282 0.003 . . . . . . 16 VAL HB . 18649 1
169 . 1 1 16 16 VAL HG11 H 1 0.876 0.006 . . . . . . 16 VAL QG1 . 18649 1
170 . 1 1 16 16 VAL HG12 H 1 0.876 0.006 . . . . . . 16 VAL QG1 . 18649 1
171 . 1 1 16 16 VAL HG13 H 1 0.876 0.006 . . . . . . 16 VAL QG1 . 18649 1
172 . 1 1 16 16 VAL HG21 H 1 1.057 0.012 . . . . . . 16 VAL QG2 . 18649 1
173 . 1 1 16 16 VAL HG22 H 1 1.057 0.012 . . . . . . 16 VAL QG2 . 18649 1
174 . 1 1 16 16 VAL HG23 H 1 1.057 0.012 . . . . . . 16 VAL QG2 . 18649 1
175 . 1 1 16 16 VAL C C 13 178.881 0.000 . . . . . . 16 VAL C . 18649 1
176 . 1 1 16 16 VAL CA C 13 66.989 0.113 . . . . . . 16 VAL CA . 18649 1
177 . 1 1 16 16 VAL CB C 13 31.209 0.069 . . . . . . 16 VAL CB . 18649 1
178 . 1 1 16 16 VAL CG1 C 13 21.126 0.131 . . . . . . 16 VAL CG1 . 18649 1
179 . 1 1 16 16 VAL CG2 C 13 23.383 0.144 . . . . . . 16 VAL CG2 . 18649 1
180 . 1 1 16 16 VAL N N 15 123.298 0.091 . . . . . . 16 VAL N . 18649 1
181 . 1 1 17 17 VAL H H 1 8.466 0.006 . . . . . . 17 VAL H . 18649 1
182 . 1 1 17 17 VAL HA H 1 3.463 0.009 . . . . . . 17 VAL HA . 18649 1
183 . 1 1 17 17 VAL HB H 1 2.272 0.003 . . . . . . 17 VAL HB . 18649 1
184 . 1 1 17 17 VAL HG11 H 1 0.829 0.014 . . . . . . 17 VAL QG1 . 18649 1
185 . 1 1 17 17 VAL HG12 H 1 0.829 0.014 . . . . . . 17 VAL QG1 . 18649 1
186 . 1 1 17 17 VAL HG13 H 1 0.829 0.014 . . . . . . 17 VAL QG1 . 18649 1
187 . 1 1 17 17 VAL HG21 H 1 0.999 0.012 . . . . . . 17 VAL QG2 . 18649 1
188 . 1 1 17 17 VAL HG22 H 1 0.999 0.012 . . . . . . 17 VAL QG2 . 18649 1
189 . 1 1 17 17 VAL HG23 H 1 0.999 0.012 . . . . . . 17 VAL QG2 . 18649 1
190 . 1 1 17 17 VAL C C 13 177.136 0.000 . . . . . . 17 VAL C . 18649 1
191 . 1 1 17 17 VAL CA C 13 67.737 0.123 . . . . . . 17 VAL CA . 18649 1
192 . 1 1 17 17 VAL CB C 13 30.990 0.159 . . . . . . 17 VAL CB . 18649 1
193 . 1 1 17 17 VAL CG1 C 13 21.146 0.109 . . . . . . 17 VAL CG1 . 18649 1
194 . 1 1 17 17 VAL CG2 C 13 23.009 0.152 . . . . . . 17 VAL CG2 . 18649 1
195 . 1 1 17 17 VAL N N 15 124.816 0.076 . . . . . . 17 VAL N . 18649 1
196 . 1 1 18 18 ILE H H 1 8.413 0.005 . . . . . . 18 ILE H . 18649 1
197 . 1 1 18 18 ILE HA H 1 3.553 0.004 . . . . . . 18 ILE HA . 18649 1
198 . 1 1 18 18 ILE HB H 1 1.942 0.005 . . . . . . 18 ILE HB . 18649 1
199 . 1 1 18 18 ILE HG12 H 1 1.749 0.006 . . . . . . 18 ILE HG12 . 18649 1
200 . 1 1 18 18 ILE HG13 H 1 1.081 0.008 . . . . . . 18 ILE HG13 . 18649 1
201 . 1 1 18 18 ILE HG21 H 1 0.845 0.009 . . . . . . 18 ILE QG2 . 18649 1
202 . 1 1 18 18 ILE HG22 H 1 0.845 0.009 . . . . . . 18 ILE QG2 . 18649 1
203 . 1 1 18 18 ILE HG23 H 1 0.845 0.009 . . . . . . 18 ILE QG2 . 18649 1
204 . 1 1 18 18 ILE HD11 H 1 0.744 0.008 . . . . . . 18 ILE QD1 . 18649 1
205 . 1 1 18 18 ILE HD12 H 1 0.744 0.008 . . . . . . 18 ILE QD1 . 18649 1
206 . 1 1 18 18 ILE HD13 H 1 0.744 0.008 . . . . . . 18 ILE QD1 . 18649 1
207 . 1 1 18 18 ILE C C 13 177.287 0.000 . . . . . . 18 ILE C . 18649 1
208 . 1 1 18 18 ILE CA C 13 65.346 0.111 . . . . . . 18 ILE CA . 18649 1
209 . 1 1 18 18 ILE CB C 13 37.535 0.113 . . . . . . 18 ILE CB . 18649 1
210 . 1 1 18 18 ILE CG1 C 13 29.262 0.121 . . . . . . 18 ILE CG1 . 18649 1
211 . 1 1 18 18 ILE CG2 C 13 17.228 0.136 . . . . . . 18 ILE CG2 . 18649 1
212 . 1 1 18 18 ILE CD1 C 13 12.464 0.129 . . . . . . 18 ILE CD1 . 18649 1
213 . 1 1 18 18 ILE N N 15 121.213 0.070 . . . . . . 18 ILE N . 18649 1
214 . 1 1 19 19 ALA H H 1 8.532 0.003 . . . . . . 19 ALA H . 18649 1
215 . 1 1 19 19 ALA HA H 1 3.870 0.013 . . . . . . 19 ALA HA . 18649 1
216 . 1 1 19 19 ALA HB1 H 1 1.416 0.013 . . . . . . 19 ALA QB . 18649 1
217 . 1 1 19 19 ALA HB2 H 1 1.416 0.013 . . . . . . 19 ALA QB . 18649 1
218 . 1 1 19 19 ALA HB3 H 1 1.416 0.013 . . . . . . 19 ALA QB . 18649 1
219 . 1 1 19 19 ALA C C 13 178.529 0.000 . . . . . . 19 ALA C . 18649 1
220 . 1 1 19 19 ALA CA C 13 55.756 0.132 . . . . . . 19 ALA CA . 18649 1
221 . 1 1 19 19 ALA CB C 13 17.990 0.192 . . . . . . 19 ALA CB . 18649 1
222 . 1 1 19 19 ALA N N 15 123.108 0.077 . . . . . . 19 ALA N . 18649 1
223 . 1 1 20 20 THR H H 1 8.117 0.009 . . . . . . 20 THR H . 18649 1
224 . 1 1 20 20 THR HA H 1 3.663 0.006 . . . . . . 20 THR HA . 18649 1
225 . 1 1 20 20 THR HB H 1 4.314 0.005 . . . . . . 20 THR HB . 18649 1
226 . 1 1 20 20 THR HG21 H 1 1.099 0.005 . . . . . . 20 THR QG2 . 18649 1
227 . 1 1 20 20 THR HG22 H 1 1.099 0.005 . . . . . . 20 THR QG2 . 18649 1
228 . 1 1 20 20 THR HG23 H 1 1.099 0.005 . . . . . . 20 THR QG2 . 18649 1
229 . 1 1 20 20 THR C C 13 176.162 0.000 . . . . . . 20 THR C . 18649 1
230 . 1 1 20 20 THR CA C 13 68.387 0.091 . . . . . . 20 THR CA . 18649 1
231 . 1 1 20 20 THR CB C 13 67.691 0.094 . . . . . . 20 THR CB . 18649 1
232 . 1 1 20 20 THR CG2 C 13 21.210 0.104 . . . . . . 20 THR CG2 . 18649 1
233 . 1 1 20 20 THR N N 15 116.561 0.079 . . . . . . 20 THR N . 18649 1
234 . 1 1 21 21 VAL H H 1 8.206 0.003 . . . . . . 21 VAL H . 18649 1
235 . 1 1 21 21 VAL HA H 1 3.517 0.007 . . . . . . 21 VAL HA . 18649 1
236 . 1 1 21 21 VAL HB H 1 2.275 0.003 . . . . . . 21 VAL HB . 18649 1
237 . 1 1 21 21 VAL HG11 H 1 0.867 0.003 . . . . . . 21 VAL QG1 . 18649 1
238 . 1 1 21 21 VAL HG12 H 1 0.867 0.003 . . . . . . 21 VAL QG1 . 18649 1
239 . 1 1 21 21 VAL HG13 H 1 0.867 0.003 . . . . . . 21 VAL QG1 . 18649 1
240 . 1 1 21 21 VAL HG21 H 1 1.023 0.012 . . . . . . 21 VAL QG2 . 18649 1
241 . 1 1 21 21 VAL HG22 H 1 1.023 0.012 . . . . . . 21 VAL QG2 . 18649 1
242 . 1 1 21 21 VAL HG23 H 1 1.023 0.012 . . . . . . 21 VAL QG2 . 18649 1
243 . 1 1 21 21 VAL C C 13 178.929 0.000 . . . . . . 21 VAL C . 18649 1
244 . 1 1 21 21 VAL CA C 13 67.390 0.182 . . . . . . 21 VAL CA . 18649 1
245 . 1 1 21 21 VAL CB C 13 31.145 0.086 . . . . . . 21 VAL CB . 18649 1
246 . 1 1 21 21 VAL CG1 C 13 21.338 0.155 . . . . . . 21 VAL CG1 . 18649 1
247 . 1 1 21 21 VAL CG2 C 13 22.977 0.142 . . . . . . 21 VAL CG2 . 18649 1
248 . 1 1 21 21 VAL N N 15 122.793 0.081 . . . . . . 21 VAL N . 18649 1
249 . 1 1 22 22 ILE H H 1 8.402 0.004 . . . . . . 22 ILE H . 18649 1
250 . 1 1 22 22 ILE HA H 1 3.548 0.008 . . . . . . 22 ILE HA . 18649 1
251 . 1 1 22 22 ILE HB H 1 2.099 0.004 . . . . . . 22 ILE HB . 18649 1
252 . 1 1 22 22 ILE HG12 H 1 1.919 0.006 . . . . . . 22 ILE HG12 . 18649 1
253 . 1 1 22 22 ILE HG13 H 1 0.972 0.005 . . . . . . 22 ILE HG13 . 18649 1
254 . 1 1 22 22 ILE HG21 H 1 0.857 0.008 . . . . . . 22 ILE QG2 . 18649 1
255 . 1 1 22 22 ILE HG22 H 1 0.857 0.008 . . . . . . 22 ILE QG2 . 18649 1
256 . 1 1 22 22 ILE HG23 H 1 0.857 0.008 . . . . . . 22 ILE QG2 . 18649 1
257 . 1 1 22 22 ILE HD11 H 1 0.775 0.006 . . . . . . 22 ILE QD1 . 18649 1
258 . 1 1 22 22 ILE HD12 H 1 0.775 0.006 . . . . . . 22 ILE QD1 . 18649 1
259 . 1 1 22 22 ILE HD13 H 1 0.775 0.006 . . . . . . 22 ILE QD1 . 18649 1
260 . 1 1 22 22 ILE C C 13 176.916 0.000 . . . . . . 22 ILE C . 18649 1
261 . 1 1 22 22 ILE CA C 13 66.387 0.125 . . . . . . 22 ILE CA . 18649 1
262 . 1 1 22 22 ILE CB C 13 37.297 0.066 . . . . . . 22 ILE CB . 18649 1
263 . 1 1 22 22 ILE CG1 C 13 29.301 0.074 . . . . . . 22 ILE CG1 . 18649 1
264 . 1 1 22 22 ILE CG2 C 13 17.095 0.057 . . . . . . 22 ILE CG2 . 18649 1
265 . 1 1 22 22 ILE CD1 C 13 13.607 0.103 . . . . . . 22 ILE CD1 . 18649 1
266 . 1 1 22 22 ILE N N 15 124.529 0.066 . . . . . . 22 ILE N . 18649 1
267 . 1 1 23 23 VAL H H 1 8.420 0.003 . . . . . . 23 VAL H . 18649 1
268 . 1 1 23 23 VAL HA H 1 3.539 0.009 . . . . . . 23 VAL HA . 18649 1
269 . 1 1 23 23 VAL HB H 1 2.261 0.007 . . . . . . 23 VAL HB . 18649 1
270 . 1 1 23 23 VAL HG11 H 1 0.937 0.009 . . . . . . 23 VAL QG1 . 18649 1
271 . 1 1 23 23 VAL HG12 H 1 0.937 0.009 . . . . . . 23 VAL QG1 . 18649 1
272 . 1 1 23 23 VAL HG13 H 1 0.937 0.009 . . . . . . 23 VAL QG1 . 18649 1
273 . 1 1 23 23 VAL HG21 H 1 1.088 0.009 . . . . . . 23 VAL QG2 . 18649 1
274 . 1 1 23 23 VAL HG22 H 1 1.088 0.009 . . . . . . 23 VAL QG2 . 18649 1
275 . 1 1 23 23 VAL HG23 H 1 1.088 0.009 . . . . . . 23 VAL QG2 . 18649 1
276 . 1 1 23 23 VAL C C 13 177.502 0.000 . . . . . . 23 VAL C . 18649 1
277 . 1 1 23 23 VAL CA C 13 68.050 0.103 . . . . . . 23 VAL CA . 18649 1
278 . 1 1 23 23 VAL CB C 13 31.248 0.047 . . . . . . 23 VAL CB . 18649 1
279 . 1 1 23 23 VAL CG1 C 13 21.708 0.108 . . . . . . 23 VAL CG1 . 18649 1
280 . 1 1 23 23 VAL CG2 C 13 23.427 0.099 . . . . . . 23 VAL CG2 . 18649 1
281 . 1 1 23 23 VAL N N 15 121.558 0.054 . . . . . . 23 VAL N . 18649 1
282 . 1 1 24 24 ILE H H 1 8.570 0.005 . . . . . . 24 ILE H . 18649 1
283 . 1 1 24 24 ILE HA H 1 3.572 0.004 . . . . . . 24 ILE HA . 18649 1
284 . 1 1 24 24 ILE HB H 1 1.927 0.002 . . . . . . 24 ILE HB . 18649 1
285 . 1 1 24 24 ILE HG12 H 1 1.927 0.006 . . . . . . 24 ILE HG12 . 18649 1
286 . 1 1 24 24 ILE HG13 H 1 1.102 0.005 . . . . . . 24 ILE HG13 . 18649 1
287 . 1 1 24 24 ILE HG21 H 1 0.916 0.015 . . . . . . 24 ILE QG2 . 18649 1
288 . 1 1 24 24 ILE HG22 H 1 0.916 0.015 . . . . . . 24 ILE QG2 . 18649 1
289 . 1 1 24 24 ILE HG23 H 1 0.916 0.015 . . . . . . 24 ILE QG2 . 18649 1
290 . 1 1 24 24 ILE HD11 H 1 0.815 0.005 . . . . . . 24 ILE QD1 . 18649 1
291 . 1 1 24 24 ILE HD12 H 1 0.815 0.005 . . . . . . 24 ILE QD1 . 18649 1
292 . 1 1 24 24 ILE HD13 H 1 0.815 0.005 . . . . . . 24 ILE QD1 . 18649 1
293 . 1 1 24 24 ILE C C 13 177.511 0.000 . . . . . . 24 ILE C . 18649 1
294 . 1 1 24 24 ILE CA C 13 65.830 0.100 . . . . . . 24 ILE CA . 18649 1
295 . 1 1 24 24 ILE CB C 13 37.270 0.057 . . . . . . 24 ILE CB . 18649 1
296 . 1 1 24 24 ILE CG1 C 13 29.288 0.138 . . . . . . 24 ILE CG1 . 18649 1
297 . 1 1 24 24 ILE CG2 C 13 17.495 0.165 . . . . . . 24 ILE CG2 . 18649 1
298 . 1 1 24 24 ILE CD1 C 13 13.677 0.101 . . . . . . 24 ILE CD1 . 18649 1
299 . 1 1 24 24 ILE N N 15 120.299 0.078 . . . . . . 24 ILE N . 18649 1
300 . 1 1 25 25 THR H H 1 8.137 0.004 . . . . . . 25 THR H . 18649 1
301 . 1 1 25 25 THR HA H 1 3.690 0.008 . . . . . . 25 THR HA . 18649 1
302 . 1 1 25 25 THR HB H 1 4.319 0.007 . . . . . . 25 THR HB . 18649 1
303 . 1 1 25 25 THR HG21 H 1 1.139 0.007 . . . . . . 25 THR QG2 . 18649 1
304 . 1 1 25 25 THR HG22 H 1 1.139 0.007 . . . . . . 25 THR QG2 . 18649 1
305 . 1 1 25 25 THR HG23 H 1 1.139 0.007 . . . . . . 25 THR QG2 . 18649 1
306 . 1 1 25 25 THR C C 13 176.067 0.000 . . . . . . 25 THR C . 18649 1
307 . 1 1 25 25 THR CA C 13 68.555 0.088 . . . . . . 25 THR CA . 18649 1
308 . 1 1 25 25 THR CB C 13 67.575 0.120 . . . . . . 25 THR CB . 18649 1
309 . 1 1 25 25 THR CG2 C 13 21.513 0.169 . . . . . . 25 THR CG2 . 18649 1
310 . 1 1 25 25 THR N N 15 119.146 0.071 . . . . . . 25 THR N . 18649 1
311 . 1 1 26 26 LEU H H 1 8.309 0.004 . . . . . . 26 LEU H . 18649 1
312 . 1 1 26 26 LEU HA H 1 4.012 0.006 . . . . . . 26 LEU HA . 18649 1
313 . 1 1 26 26 LEU HB2 H 1 2.035 0.005 . . . . . . 26 LEU HB2 . 18649 1
314 . 1 1 26 26 LEU HB3 H 1 1.503 0.008 . . . . . . 26 LEU HB3 . 18649 1
315 . 1 1 26 26 LEU HG H 1 1.963 0.005 . . . . . . 26 LEU HG . 18649 1
316 . 1 1 26 26 LEU HD11 H 1 0.886 0.010 . . . . . . 26 LEU QD1 . 18649 1
317 . 1 1 26 26 LEU HD12 H 1 0.886 0.010 . . . . . . 26 LEU QD1 . 18649 1
318 . 1 1 26 26 LEU HD13 H 1 0.886 0.010 . . . . . . 26 LEU QD1 . 18649 1
319 . 1 1 26 26 LEU HD21 H 1 0.859 0.004 . . . . . . 26 LEU QD2 . 18649 1
320 . 1 1 26 26 LEU HD22 H 1 0.859 0.004 . . . . . . 26 LEU QD2 . 18649 1
321 . 1 1 26 26 LEU HD23 H 1 0.859 0.004 . . . . . . 26 LEU QD2 . 18649 1
322 . 1 1 26 26 LEU C C 13 179.051 0.000 . . . . . . 26 LEU C . 18649 1
323 . 1 1 26 26 LEU CA C 13 58.242 0.064 . . . . . . 26 LEU CA . 18649 1
324 . 1 1 26 26 LEU CB C 13 41.834 0.121 . . . . . . 26 LEU CB . 18649 1
325 . 1 1 26 26 LEU CG C 13 26.862 0.164 . . . . . . 26 LEU CG . 18649 1
326 . 1 1 26 26 LEU CD1 C 13 25.426 0.145 . . . . . . 26 LEU CD1 . 18649 1
327 . 1 1 26 26 LEU CD2 C 13 23.459 0.099 . . . . . . 26 LEU CD2 . 18649 1
328 . 1 1 26 26 LEU N N 15 122.563 0.062 . . . . . . 26 LEU N . 18649 1
329 . 1 1 27 27 VAL H H 1 8.330 0.003 . . . . . . 27 VAL H . 18649 1
330 . 1 1 27 27 VAL HA H 1 3.627 0.010 . . . . . . 27 VAL HA . 18649 1
331 . 1 1 27 27 VAL HB H 1 2.305 0.004 . . . . . . 27 VAL HB . 18649 1
332 . 1 1 27 27 VAL HG11 H 1 0.951 0.009 . . . . . . 27 VAL QG1 . 18649 1
333 . 1 1 27 27 VAL HG12 H 1 0.951 0.009 . . . . . . 27 VAL QG1 . 18649 1
334 . 1 1 27 27 VAL HG13 H 1 0.951 0.009 . . . . . . 27 VAL QG1 . 18649 1
335 . 1 1 27 27 VAL HG21 H 1 1.091 0.004 . . . . . . 27 VAL QG2 . 18649 1
336 . 1 1 27 27 VAL HG22 H 1 1.091 0.004 . . . . . . 27 VAL QG2 . 18649 1
337 . 1 1 27 27 VAL HG23 H 1 1.091 0.004 . . . . . . 27 VAL QG2 . 18649 1
338 . 1 1 27 27 VAL C C 13 178.222 0.000 . . . . . . 27 VAL C . 18649 1
339 . 1 1 27 27 VAL CA C 13 66.517 0.099 . . . . . . 27 VAL CA . 18649 1
340 . 1 1 27 27 VAL CB C 13 31.432 0.121 . . . . . . 27 VAL CB . 18649 1
341 . 1 1 27 27 VAL CG1 C 13 21.595 0.066 . . . . . . 27 VAL CG1 . 18649 1
342 . 1 1 27 27 VAL CG2 C 13 23.130 0.098 . . . . . . 27 VAL CG2 . 18649 1
343 . 1 1 27 27 VAL N N 15 120.127 0.108 . . . . . . 27 VAL N . 18649 1
344 . 1 1 28 28 MET H H 1 8.345 0.003 . . . . . . 28 MET H . 18649 1
345 . 1 1 28 28 MET HA H 1 4.273 0.006 . . . . . . 28 MET HA . 18649 1
346 . 1 1 28 28 MET HB2 H 1 2.329 0.008 . . . . . . 28 MET HB2 . 18649 1
347 . 1 1 28 28 MET HB3 H 1 2.071 0.008 . . . . . . 28 MET HB3 . 18649 1
348 . 1 1 28 28 MET HG2 H 1 2.711 0.005 . . . . . . 28 MET QG . 18649 1
349 . 1 1 28 28 MET HG3 H 1 2.711 0.005 . . . . . . 28 MET QG . 18649 1
350 . 1 1 28 28 MET HE1 H 1 2.087 0.009 . . . . . . 28 MET QE . 18649 1
351 . 1 1 28 28 MET HE2 H 1 2.087 0.009 . . . . . . 28 MET QE . 18649 1
352 . 1 1 28 28 MET HE3 H 1 2.087 0.009 . . . . . . 28 MET QE . 18649 1
353 . 1 1 28 28 MET C C 13 178.449 0.000 . . . . . . 28 MET C . 18649 1
354 . 1 1 28 28 MET CA C 13 57.703 0.110 . . . . . . 28 MET CA . 18649 1
355 . 1 1 28 28 MET CB C 13 32.033 0.088 . . . . . . 28 MET CB . 18649 1
356 . 1 1 28 28 MET CG C 13 32.993 0.054 . . . . . . 28 MET CG . 18649 1
357 . 1 1 28 28 MET CE C 13 17.274 0.203 . . . . . . 28 MET CE . 18649 1
358 . 1 1 28 28 MET N N 15 119.574 0.069 . . . . . . 28 MET N . 18649 1
359 . 1 1 29 29 LEU H H 1 8.187 0.004 . . . . . . 29 LEU H . 18649 1
360 . 1 1 29 29 LEU HA H 1 4.263 0.004 . . . . . . 29 LEU HA . 18649 1
361 . 1 1 29 29 LEU HB2 H 1 1.936 0.004 . . . . . . 29 LEU HB2 . 18649 1
362 . 1 1 29 29 LEU HB3 H 1 1.592 0.002 . . . . . . 29 LEU HB3 . 18649 1
363 . 1 1 29 29 LEU HG H 1 1.962 0.004 . . . . . . 29 LEU HG . 18649 1
364 . 1 1 29 29 LEU HD11 H 1 0.901 0.009 . . . . . . 29 LEU QD1 . 18649 1
365 . 1 1 29 29 LEU HD12 H 1 0.901 0.009 . . . . . . 29 LEU QD1 . 18649 1
366 . 1 1 29 29 LEU HD13 H 1 0.901 0.009 . . . . . . 29 LEU QD1 . 18649 1
367 . 1 1 29 29 LEU HD21 H 1 0.898 0.005 . . . . . . 29 LEU QD2 . 18649 1
368 . 1 1 29 29 LEU HD22 H 1 0.898 0.005 . . . . . . 29 LEU QD2 . 18649 1
369 . 1 1 29 29 LEU HD23 H 1 0.898 0.005 . . . . . . 29 LEU QD2 . 18649 1
370 . 1 1 29 29 LEU C C 13 178.103 0.000 . . . . . . 29 LEU C . 18649 1
371 . 1 1 29 29 LEU CA C 13 56.359 0.140 . . . . . . 29 LEU CA . 18649 1
372 . 1 1 29 29 LEU CB C 13 42.366 0.161 . . . . . . 29 LEU CB . 18649 1
373 . 1 1 29 29 LEU CG C 13 26.696 0.137 . . . . . . 29 LEU CG . 18649 1
374 . 1 1 29 29 LEU CD1 C 13 25.870 0.094 . . . . . . 29 LEU CD1 . 18649 1
375 . 1 1 29 29 LEU CD2 C 13 23.318 0.030 . . . . . . 29 LEU CD2 . 18649 1
376 . 1 1 29 29 LEU N N 15 120.131 0.064 . . . . . . 29 LEU N . 18649 1
377 . 1 1 30 30 LYS H H 1 7.760 0.004 . . . . . . 30 LYS H . 18649 1
378 . 1 1 30 30 LYS HA H 1 4.314 0.004 . . . . . . 30 LYS HA . 18649 1
379 . 1 1 30 30 LYS HB2 H 1 1.952 0.003 . . . . . . 30 LYS QB . 18649 1
380 . 1 1 30 30 LYS HB3 H 1 1.952 0.003 . . . . . . 30 LYS QB . 18649 1
381 . 1 1 30 30 LYS HG2 H 1 1.541 0.004 . . . . . . 30 LYS QG . 18649 1
382 . 1 1 30 30 LYS HG3 H 1 1.541 0.004 . . . . . . 30 LYS QG . 18649 1
383 . 1 1 30 30 LYS HD2 H 1 1.719 0.003 . . . . . . 30 LYS QD . 18649 1
384 . 1 1 30 30 LYS HD3 H 1 1.719 0.003 . . . . . . 30 LYS QD . 18649 1
385 . 1 1 30 30 LYS HE2 H 1 2.997 0.003 . . . . . . 30 LYS QE . 18649 1
386 . 1 1 30 30 LYS HE3 H 1 2.997 0.003 . . . . . . 30 LYS QE . 18649 1
387 . 1 1 30 30 LYS C C 13 176.630 0.000 . . . . . . 30 LYS C . 18649 1
388 . 1 1 30 30 LYS CA C 13 56.261 0.063 . . . . . . 30 LYS CA . 18649 1
389 . 1 1 30 30 LYS CB C 13 32.581 0.064 . . . . . . 30 LYS CB . 18649 1
390 . 1 1 30 30 LYS CG C 13 24.591 0.092 . . . . . . 30 LYS CG . 18649 1
391 . 1 1 30 30 LYS CD C 13 28.666 0.103 . . . . . . 30 LYS CD . 18649 1
392 . 1 1 30 30 LYS CE C 13 41.890 0.130 . . . . . . 30 LYS CE . 18649 1
393 . 1 1 30 30 LYS N N 15 120.359 0.082 . . . . . . 30 LYS N . 18649 1
394 . 1 1 31 31 LYS H H 1 7.916 0.005 . . . . . . 31 LYS H . 18649 1
395 . 1 1 31 31 LYS HA H 1 4.314 0.005 . . . . . . 31 LYS HA . 18649 1
396 . 1 1 31 31 LYS HB2 H 1 1.954 0.003 . . . . . . 31 LYS QB . 18649 1
397 . 1 1 31 31 LYS HB3 H 1 1.954 0.003 . . . . . . 31 LYS QB . 18649 1
398 . 1 1 31 31 LYS HG2 H 1 1.709 0.004 . . . . . . 31 LYS HG2 . 18649 1
399 . 1 1 31 31 LYS HG3 H 1 1.537 0.004 . . . . . . 31 LYS HG3 . 18649 1
400 . 1 1 31 31 LYS HD2 H 1 1.857 0.009 . . . . . . 31 LYS QD . 18649 1
401 . 1 1 31 31 LYS HD3 H 1 1.857 0.009 . . . . . . 31 LYS QD . 18649 1
402 . 1 1 31 31 LYS HE2 H 1 2.984 0.008 . . . . . . 31 LYS QE . 18649 1
403 . 1 1 31 31 LYS HE3 H 1 2.984 0.008 . . . . . . 31 LYS QE . 18649 1
404 . 1 1 31 31 LYS C C 13 175.436 0.000 . . . . . . 31 LYS C . 18649 1
405 . 1 1 31 31 LYS CA C 13 56.486 0.123 . . . . . . 31 LYS CA . 18649 1
406 . 1 1 31 31 LYS CB C 13 32.701 0.077 . . . . . . 31 LYS CB . 18649 1
407 . 1 1 31 31 LYS CG C 13 24.624 0.144 . . . . . . 31 LYS CG . 18649 1
408 . 1 1 31 31 LYS CD C 13 29.017 0.178 . . . . . . 31 LYS CD . 18649 1
409 . 1 1 31 31 LYS CE C 13 41.881 0.151 . . . . . . 31 LYS CE . 18649 1
410 . 1 1 31 31 LYS N N 15 123.768 0.093 . . . . . . 31 LYS N . 18649 1
411 . 1 1 32 32 LYS H H 1 7.762 0.016 . . . . . . 32 LYS H . 18649 1
412 . 1 1 32 32 LYS HA H 1 4.138 0.004 . . . . . . 32 LYS HA . 18649 1
413 . 1 1 32 32 LYS HB2 H 1 1.843 0.003 . . . . . . 32 LYS HB2 . 18649 1
414 . 1 1 32 32 LYS HB3 H 1 1.758 0.004 . . . . . . 32 LYS HB3 . 18649 1
415 . 1 1 32 32 LYS HG2 H 1 1.463 0.004 . . . . . . 32 LYS QG . 18649 1
416 . 1 1 32 32 LYS HG3 H 1 1.463 0.004 . . . . . . 32 LYS QG . 18649 1
417 . 1 1 32 32 LYS HD2 H 1 1.709 0.004 . . . . . . 32 LYS QD . 18649 1
418 . 1 1 32 32 LYS HD3 H 1 1.709 0.004 . . . . . . 32 LYS QD . 18649 1
419 . 1 1 32 32 LYS HE2 H 1 3.016 0.003 . . . . . . 32 LYS QE . 18649 1
420 . 1 1 32 32 LYS HE3 H 1 3.016 0.003 . . . . . . 32 LYS QE . 18649 1
421 . 1 1 32 32 LYS CA C 13 57.704 0.102 . . . . . . 32 LYS CA . 18649 1
422 . 1 1 32 32 LYS CB C 13 33.554 0.097 . . . . . . 32 LYS CB . 18649 1
423 . 1 1 32 32 LYS CG C 13 24.688 0.055 . . . . . . 32 LYS CG . 18649 1
424 . 1 1 32 32 LYS CD C 13 28.864 0.089 . . . . . . 32 LYS CD . 18649 1
425 . 1 1 32 32 LYS CE C 13 42.109 0.086 . . . . . . 32 LYS CE . 18649 1
426 . 1 1 32 32 LYS N N 15 129.909 0.069 . . . . . . 32 LYS N . 18649 1
stop_
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