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 25280
_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' . . . 25280 1
2 '2D 1H-13C HSQC aliphatic' . . . 25280 1
3 '3D CBCA(CO)NH' . . . 25280 1
4 '3D C(CO)NH' . . . 25280 1
5 '3D HNCO' . . . 25280 1
6 '3D HNCACB' . . . 25280 1
7 '3D H(CCO)NH' . . . 25280 1
8 '3D HCCH-TOCSY' . . . 25280 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 $Sparky . . 25280 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 1 1 ALA HB1 H 1 1.365 0.034 . 1 . . . A 573 ALA HB1 . 25280 1
2 . 1 1 1 1 ALA HB2 H 1 1.365 0.034 . 1 . . . A 573 ALA HB2 . 25280 1
3 . 1 1 1 1 ALA HB3 H 1 1.365 0.034 . 1 . . . A 573 ALA HB3 . 25280 1
4 . 1 1 1 1 ALA C C 13 177.929 0.100 . 1 . . . A 573 ALA C . 25280 1
5 . 1 1 1 1 ALA CA C 13 53.117 0.034 . 1 . . . A 573 ALA CA . 25280 1
6 . 1 1 1 1 ALA CB C 13 19.261 0.049 . 1 . . . A 573 ALA CB . 25280 1
7 . 1 1 2 2 MET H H 1 8.461 0.001 . 1 . . . A 574 MET H . 25280 1
8 . 1 1 2 2 MET HA H 1 4.485 0.010 . 1 . . . A 574 MET HA . 25280 1
9 . 1 1 2 2 MET HG2 H 1 2.539 0.008 . 2 . . . A 574 MET HG2 . 25280 1
10 . 1 1 2 2 MET HG3 H 1 2.539 0.008 . 2 . . . A 574 MET HG3 . 25280 1
11 . 1 1 2 2 MET C C 13 175.789 0.100 . 1 . . . A 574 MET C . 25280 1
12 . 1 1 2 2 MET CA C 13 54.944 0.028 . 1 . . . A 574 MET CA . 25280 1
13 . 1 1 2 2 MET CB C 13 32.476 0.086 . 1 . . . A 574 MET CB . 25280 1
14 . 1 1 2 2 MET N N 15 118.842 0.024 . 1 . . . A 574 MET N . 25280 1
15 . 1 1 3 3 ASP H H 1 8.101 0.001 . 1 . . . A 575 ASP H . 25280 1
16 . 1 1 3 3 ASP HB2 H 1 2.750 0.001 . 2 . . . A 575 ASP HB2 . 25280 1
17 . 1 1 3 3 ASP CA C 13 52.807 0.035 . 1 . . . A 575 ASP CA . 25280 1
18 . 1 1 3 3 ASP CB C 13 40.926 0.066 . 1 . . . A 575 ASP CB . 25280 1
19 . 1 1 3 3 ASP N N 15 123.804 0.009 . 1 . . . A 575 ASP N . 25280 1
20 . 1 1 4 4 PRO HA H 1 4.344 0.007 . 1 . . . A 576 PRO HA . 25280 1
21 . 1 1 4 4 PRO HB2 H 1 2.260 0.034 . 2 . . . A 576 PRO HB2 . 25280 1
22 . 1 1 4 4 PRO HB3 H 1 1.850 0.034 . 2 . . . A 576 PRO HB3 . 25280 1
23 . 1 1 4 4 PRO HG2 H 1 2.000 0.001 . 2 . . . A 576 PRO HG2 . 25280 1
24 . 1 1 4 4 PRO HG3 H 1 2.000 0.001 . 2 . . . A 576 PRO HG3 . 25280 1
25 . 1 1 4 4 PRO HD2 H 1 3.756 0.024 . 2 . . . A 576 PRO HD2 . 25280 1
26 . 1 1 4 4 PRO HD3 H 1 3.756 0.024 . 2 . . . A 576 PRO HD3 . 25280 1
27 . 1 1 4 4 PRO C C 13 177.164 0.100 . 1 . . . A 576 PRO C . 25280 1
28 . 1 1 4 4 PRO CA C 13 63.623 0.076 . 1 . . . A 576 PRO CA . 25280 1
29 . 1 1 4 4 PRO CB C 13 32.082 0.136 . 1 . . . A 576 PRO CB . 25280 1
30 . 1 1 4 4 PRO CG C 13 27.374 0.107 . 1 . . . A 576 PRO CG . 25280 1
31 . 1 1 4 4 PRO CD C 13 50.593 0.053 . 1 . . . A 576 PRO CD . 25280 1
32 . 1 1 5 5 GLU H H 1 8.524 0.002 . 1 . . . A 577 GLU H . 25280 1
33 . 1 1 5 5 GLU HA H 1 4.122 0.008 . 1 . . . A 577 GLU HA . 25280 1
34 . 1 1 5 5 GLU HB2 H 1 1.845 0.003 . 2 . . . A 577 GLU HB2 . 25280 1
35 . 1 1 5 5 GLU HB3 H 1 1.845 0.003 . 2 . . . A 577 GLU HB3 . 25280 1
36 . 1 1 5 5 GLU HG2 H 1 2.105 0.018 . 2 . . . A 577 GLU HG2 . 25280 1
37 . 1 1 5 5 GLU HG3 H 1 2.105 0.018 . 2 . . . A 577 GLU HG3 . 25280 1
38 . 1 1 5 5 GLU C C 13 176.349 0.100 . 1 . . . A 577 GLU C . 25280 1
39 . 1 1 5 5 GLU CA C 13 56.941 0.141 . 1 . . . A 577 GLU CA . 25280 1
40 . 1 1 5 5 GLU CB C 13 30.073 0.152 . 1 . . . A 577 GLU CB . 25280 1
41 . 1 1 5 5 GLU CG C 13 36.240 0.012 . 1 . . . A 577 GLU CG . 25280 1
42 . 1 1 5 5 GLU N N 15 120.447 0.011 . 1 . . . A 577 GLU N . 25280 1
43 . 1 1 6 6 PHE H H 1 8.076 0.004 . 1 . . . A 578 PHE H . 25280 1
44 . 1 1 6 6 PHE HA H 1 4.605 0.008 . 1 . . . A 578 PHE HA . 25280 1
45 . 1 1 6 6 PHE HB2 H 1 3.119 0.004 . 2 . . . A 578 PHE HB2 . 25280 1
46 . 1 1 6 6 PHE HB3 H 1 3.029 0.007 . 2 . . . A 578 PHE HB3 . 25280 1
47 . 1 1 6 6 PHE HD1 H 1 7.223 0.009 . 3 . . . A 578 PHE HD1 . 25280 1
48 . 1 1 6 6 PHE HD2 H 1 7.223 0.009 . 3 . . . A 578 PHE HD2 . 25280 1
49 . 1 1 6 6 PHE C C 13 175.505 0.100 . 1 . . . A 578 PHE C . 25280 1
50 . 1 1 6 6 PHE CA C 13 57.624 0.063 . 1 . . . A 578 PHE CA . 25280 1
51 . 1 1 6 6 PHE CB C 13 39.740 0.036 . 1 . . . A 578 PHE CB . 25280 1
52 . 1 1 6 6 PHE CD2 C 13 131.762 0.035 . 3 . . . A 578 PHE CD2 . 25280 1
53 . 1 1 6 6 PHE N N 15 121.349 0.030 . 1 . . . A 578 PHE N . 25280 1
54 . 1 1 7 7 ILE H H 1 7.917 0.002 . 1 . . . A 579 ILE H . 25280 1
55 . 1 1 7 7 ILE HA H 1 4.089 0.009 . 1 . . . A 579 ILE HA . 25280 1
56 . 1 1 7 7 ILE HB H 1 1.779 0.008 . 1 . . . A 579 ILE HB . 25280 1
57 . 1 1 7 7 ILE HG12 H 1 1.416 0.008 . 2 . . . A 579 ILE HG12 . 25280 1
58 . 1 1 7 7 ILE HG13 H 1 1.123 0.009 . 2 . . . A 579 ILE HG13 . 25280 1
59 . 1 1 7 7 ILE HG21 H 1 0.846 0.034 . 1 . . . A 579 ILE HG21 . 25280 1
60 . 1 1 7 7 ILE HG22 H 1 0.846 0.034 . 1 . . . A 579 ILE HG22 . 25280 1
61 . 1 1 7 7 ILE HG23 H 1 0.846 0.034 . 1 . . . A 579 ILE HG23 . 25280 1
62 . 1 1 7 7 ILE HD11 H 1 0.806 0.034 . 1 . . . A 579 ILE HD11 . 25280 1
63 . 1 1 7 7 ILE HD12 H 1 0.806 0.034 . 1 . . . A 579 ILE HD12 . 25280 1
64 . 1 1 7 7 ILE HD13 H 1 0.806 0.034 . 1 . . . A 579 ILE HD13 . 25280 1
65 . 1 1 7 7 ILE C C 13 176.238 0.100 . 1 . . . A 579 ILE C . 25280 1
66 . 1 1 7 7 ILE CA C 13 61.181 0.063 . 1 . . . A 579 ILE CA . 25280 1
67 . 1 1 7 7 ILE CB C 13 38.751 0.078 . 1 . . . A 579 ILE CB . 25280 1
68 . 1 1 7 7 ILE CG1 C 13 27.294 0.077 . 1 . . . A 579 ILE CG1 . 25280 1
69 . 1 1 7 7 ILE CG2 C 13 17.416 0.035 . 1 . . . A 579 ILE CG2 . 25280 1
70 . 1 1 7 7 ILE CD1 C 13 12.995 0.104 . 1 . . . A 579 ILE CD1 . 25280 1
71 . 1 1 7 7 ILE N N 15 124.270 0.019 . 1 . . . A 579 ILE N . 25280 1
72 . 1 1 8 8 GLY H H 1 8.051 0.001 . 1 . . . A 580 GLY H . 25280 1
73 . 1 1 8 8 GLY HA2 H 1 3.884 0.002 . 2 . . . A 580 GLY HA2 . 25280 1
74 . 1 1 8 8 GLY HA3 H 1 3.884 0.002 . 2 . . . A 580 GLY HA3 . 25280 1
75 . 1 1 8 8 GLY C C 13 174.038 0.100 . 1 . . . A 580 GLY C . 25280 1
76 . 1 1 8 8 GLY CA C 13 45.395 0.051 . 1 . . . A 580 GLY CA . 25280 1
77 . 1 1 8 8 GLY N N 15 113.336 0.013 . 1 . . . A 580 GLY N . 25280 1
78 . 1 1 9 9 ILE H H 1 7.925 0.003 . 1 . . . A 581 ILE H . 25280 1
79 . 1 1 9 9 ILE HA H 1 4.176 0.008 . 1 . . . A 581 ILE HA . 25280 1
80 . 1 1 9 9 ILE HB H 1 1.860 0.007 . 1 . . . A 581 ILE HB . 25280 1
81 . 1 1 9 9 ILE HG12 H 1 1.405 0.002 . 2 . . . A 581 ILE HG12 . 25280 1
82 . 1 1 9 9 ILE HG13 H 1 1.153 0.007 . 2 . . . A 581 ILE HG13 . 25280 1
83 . 1 1 9 9 ILE HG21 H 1 0.883 0.002 . 1 . . . A 581 ILE HG21 . 25280 1
84 . 1 1 9 9 ILE HG22 H 1 0.883 0.002 . 1 . . . A 581 ILE HG22 . 25280 1
85 . 1 1 9 9 ILE HG23 H 1 0.883 0.002 . 1 . . . A 581 ILE HG23 . 25280 1
86 . 1 1 9 9 ILE HD11 H 1 0.842 0.034 . 1 . . . A 581 ILE HD11 . 25280 1
87 . 1 1 9 9 ILE HD12 H 1 0.842 0.034 . 1 . . . A 581 ILE HD12 . 25280 1
88 . 1 1 9 9 ILE HD13 H 1 0.842 0.034 . 1 . . . A 581 ILE HD13 . 25280 1
89 . 1 1 9 9 ILE C C 13 175.905 0.100 . 1 . . . A 581 ILE C . 25280 1
90 . 1 1 9 9 ILE CA C 13 61.159 0.071 . 1 . . . A 581 ILE CA . 25280 1
91 . 1 1 9 9 ILE CB C 13 39.139 0.043 . 1 . . . A 581 ILE CB . 25280 1
92 . 1 1 9 9 ILE CG1 C 13 27.178 0.084 . 1 . . . A 581 ILE CG1 . 25280 1
93 . 1 1 9 9 ILE CG2 C 13 17.648 0.053 . 1 . . . A 581 ILE CG2 . 25280 1
94 . 1 1 9 9 ILE CD1 C 13 13.174 0.167 . 1 . . . A 581 ILE CD1 . 25280 1
95 . 1 1 9 9 ILE N N 15 120.344 0.011 . 1 . . . A 581 ILE N . 25280 1
96 . 1 1 10 10 ASP H H 1 8.428 0.001 . 1 . . . A 582 ASP H . 25280 1
97 . 1 1 10 10 ASP HA H 1 4.565 0.005 . 1 . . . A 582 ASP HA . 25280 1
98 . 1 1 10 10 ASP HB2 H 1 2.603 0.012 . 2 . . . A 582 ASP HB2 . 25280 1
99 . 1 1 10 10 ASP HB3 H 1 2.603 0.012 . 2 . . . A 582 ASP HB3 . 25280 1
100 . 1 1 10 10 ASP C C 13 176.011 0.100 . 1 . . . A 582 ASP C . 25280 1
101 . 1 1 10 10 ASP CA C 13 54.394 0.047 . 1 . . . A 582 ASP CA . 25280 1
102 . 1 1 10 10 ASP CB C 13 41.070 0.028 . 1 . . . A 582 ASP CB . 25280 1
103 . 1 1 10 10 ASP N N 15 124.351 0.028 . 1 . . . A 582 ASP N . 25280 1
104 . 1 1 11 11 MET H H 1 8.207 0.001 . 1 . . . A 583 MET H . 25280 1
105 . 1 1 11 11 MET HA H 1 4.458 0.034 . 1 . . . A 583 MET HA . 25280 1
106 . 1 1 11 11 MET HB2 H 1 1.947 0.034 . 2 . . . A 583 MET HB2 . 25280 1
107 . 1 1 11 11 MET HB3 H 1 1.947 0.034 . 2 . . . A 583 MET HB3 . 25280 1
108 . 1 1 11 11 MET HG2 H 1 2.513 0.034 . 2 . . . A 583 MET HG2 . 25280 1
109 . 1 1 11 11 MET HG3 H 1 2.513 0.034 . 2 . . . A 583 MET HG3 . 25280 1
110 . 1 1 11 11 MET C C 13 176.082 0.100 . 1 . . . A 583 MET C . 25280 1
111 . 1 1 11 11 MET CA C 13 55.401 0.021 . 1 . . . A 583 MET CA . 25280 1
112 . 1 1 11 11 MET CB C 13 32.942 0.066 . 1 . . . A 583 MET CB . 25280 1
113 . 1 1 11 11 MET CG C 13 32.075 0.035 . 1 . . . A 583 MET CG . 25280 1
114 . 1 1 11 11 MET N N 15 121.706 0.014 . 1 . . . A 583 MET N . 25280 1
115 . 1 1 12 12 ILE H H 1 8.090 0.003 . 1 . . . A 584 ILE H . 25280 1
116 . 1 1 12 12 ILE HA H 1 4.113 0.007 . 1 . . . A 584 ILE HA . 25280 1
117 . 1 1 12 12 ILE HB H 1 1.842 0.007 . 1 . . . A 584 ILE HB . 25280 1
118 . 1 1 12 12 ILE HG12 H 1 1.422 0.005 . 2 . . . A 584 ILE HG12 . 25280 1
119 . 1 1 12 12 ILE HG13 H 1 1.145 0.012 . 2 . . . A 584 ILE HG13 . 25280 1
120 . 1 1 12 12 ILE HG21 H 1 0.859 0.004 . 1 . . . A 584 ILE HG21 . 25280 1
121 . 1 1 12 12 ILE HG22 H 1 0.859 0.004 . 1 . . . A 584 ILE HG22 . 25280 1
122 . 1 1 12 12 ILE HG23 H 1 0.859 0.004 . 1 . . . A 584 ILE HG23 . 25280 1
123 . 1 1 12 12 ILE HD11 H 1 0.820 0.034 . 1 . . . A 584 ILE HD11 . 25280 1
124 . 1 1 12 12 ILE HD12 H 1 0.820 0.034 . 1 . . . A 584 ILE HD12 . 25280 1
125 . 1 1 12 12 ILE HD13 H 1 0.820 0.034 . 1 . . . A 584 ILE HD13 . 25280 1
126 . 1 1 12 12 ILE C C 13 175.878 0.100 . 1 . . . A 584 ILE C . 25280 1
127 . 1 1 12 12 ILE CA C 13 61.193 0.062 . 1 . . . A 584 ILE CA . 25280 1
128 . 1 1 12 12 ILE CB C 13 38.815 0.054 . 1 . . . A 584 ILE CB . 25280 1
129 . 1 1 12 12 ILE CG1 C 13 27.330 0.107 . 1 . . . A 584 ILE CG1 . 25280 1
130 . 1 1 12 12 ILE CG2 C 13 17.558 0.069 . 1 . . . A 584 ILE CG2 . 25280 1
131 . 1 1 12 12 ILE CD1 C 13 12.870 0.222 . 1 . . . A 584 ILE CD1 . 25280 1
132 . 1 1 12 12 ILE N N 15 123.001 0.028 . 1 . . . A 584 ILE N . 25280 1
133 . 1 1 13 13 ASP H H 1 8.395 0.001 . 1 . . . A 585 ASP H . 25280 1
134 . 1 1 13 13 ASP HA H 1 4.603 0.009 . 1 . . . A 585 ASP HA . 25280 1
135 . 1 1 13 13 ASP HB2 H 1 2.630 0.034 . 2 . . . A 585 ASP HB2 . 25280 1
136 . 1 1 13 13 ASP HB3 H 1 2.630 0.034 . 2 . . . A 585 ASP HB3 . 25280 1
137 . 1 1 13 13 ASP C C 13 176.000 0.100 . 1 . . . A 585 ASP C . 25280 1
138 . 1 1 13 13 ASP CA C 13 54.213 0.027 . 1 . . . A 585 ASP CA . 25280 1
139 . 1 1 13 13 ASP CB C 13 41.175 0.033 . 1 . . . A 585 ASP CB . 25280 1
140 . 1 1 13 13 ASP N N 15 125.118 0.016 . 1 . . . A 585 ASP N . 25280 1
141 . 1 1 14 14 ASN H H 1 8.362 0.001 . 1 . . . A 586 ASN H . 25280 1
142 . 1 1 14 14 ASN HA H 1 4.681 0.013 . 1 . . . A 586 ASN HA . 25280 1
143 . 1 1 14 14 ASN HB2 H 1 2.761 0.034 . 2 . . . A 586 ASN HB2 . 25280 1
144 . 1 1 14 14 ASN HB3 H 1 2.761 0.034 . 2 . . . A 586 ASN HB3 . 25280 1
145 . 1 1 14 14 ASN C C 13 175.205 0.100 . 1 . . . A 586 ASN C . 25280 1
146 . 1 1 14 14 ASN CA C 13 53.488 0.080 . 1 . . . A 586 ASN CA . 25280 1
147 . 1 1 14 14 ASN CB C 13 39.212 0.030 . 1 . . . A 586 ASN CB . 25280 1
148 . 1 1 14 14 ASN N N 15 120.825 0.039 . 1 . . . A 586 ASN N . 25280 1
149 . 1 1 15 15 ASP H H 1 8.417 0.004 . 1 . . . A 587 ASP H . 25280 1
150 . 1 1 15 15 ASP HA H 1 4.584 0.003 . 1 . . . A 587 ASP HA . 25280 1
151 . 1 1 15 15 ASP HB2 H 1 2.683 0.034 . 2 . . . A 587 ASP HB2 . 25280 1
152 . 1 1 15 15 ASP HB3 H 1 2.683 0.034 . 2 . . . A 587 ASP HB3 . 25280 1
153 . 1 1 15 15 ASP C C 13 176.714 0.100 . 1 . . . A 587 ASP C . 25280 1
154 . 1 1 15 15 ASP CA C 13 54.770 0.029 . 1 . . . A 587 ASP CA . 25280 1
155 . 1 1 15 15 ASP CB C 13 41.113 0.026 . 1 . . . A 587 ASP CB . 25280 1
156 . 1 1 15 15 ASP N N 15 121.896 0.021 . 1 . . . A 587 ASP N . 25280 1
157 . 1 1 16 16 GLN H H 1 8.351 0.002 . 1 . . . A 588 GLN H . 25280 1
158 . 1 1 16 16 GLN HA H 1 4.276 0.011 . 1 . . . A 588 GLN HA . 25280 1
159 . 1 1 16 16 GLN HB2 H 1 2.180 0.014 . 2 . . . A 588 GLN HB2 . 25280 1
160 . 1 1 16 16 GLN HB3 H 1 1.981 0.006 . 2 . . . A 588 GLN HB3 . 25280 1
161 . 1 1 16 16 GLN HG2 H 1 2.349 0.009 . 2 . . . A 588 GLN HG2 . 25280 1
162 . 1 1 16 16 GLN HG3 H 1 2.349 0.009 . 2 . . . A 588 GLN HG3 . 25280 1
163 . 1 1 16 16 GLN C C 13 176.945 0.100 . 1 . . . A 588 GLN C . 25280 1
164 . 1 1 16 16 GLN CA C 13 56.197 0.035 . 1 . . . A 588 GLN CA . 25280 1
165 . 1 1 16 16 GLN CB C 13 29.189 0.142 . 1 . . . A 588 GLN CB . 25280 1
166 . 1 1 16 16 GLN CG C 13 33.901 0.034 . 1 . . . A 588 GLN CG . 25280 1
167 . 1 1 16 16 GLN N N 15 121.450 0.044 . 1 . . . A 588 GLN N . 25280 1
168 . 1 1 17 17 GLY H H 1 8.440 0.001 . 1 . . . A 589 GLY H . 25280 1
169 . 1 1 17 17 GLY HA2 H 1 3.961 0.009 . 2 . . . A 589 GLY HA2 . 25280 1
170 . 1 1 17 17 GLY HA3 H 1 3.961 0.009 . 2 . . . A 589 GLY HA3 . 25280 1
171 . 1 1 17 17 GLY C C 13 174.473 0.100 . 1 . . . A 589 GLY C . 25280 1
172 . 1 1 17 17 GLY CA C 13 45.495 0.036 . 1 . . . A 589 GLY CA . 25280 1
173 . 1 1 17 17 GLY N N 15 110.385 0.026 . 1 . . . A 589 GLY N . 25280 1
174 . 1 1 18 18 SER H H 1 8.187 0.001 . 1 . . . A 590 SER H . 25280 1
175 . 1 1 18 18 SER HA H 1 4.493 0.034 . 1 . . . A 590 SER HA . 25280 1
176 . 1 1 18 18 SER HB2 H 1 3.868 0.034 . 2 . . . A 590 SER HB2 . 25280 1
177 . 1 1 18 18 SER HB3 H 1 3.868 0.034 . 2 . . . A 590 SER HB3 . 25280 1
178 . 1 1 18 18 SER C C 13 174.763 0.100 . 1 . . . A 590 SER C . 25280 1
179 . 1 1 18 18 SER CA C 13 58.215 0.020 . 1 . . . A 590 SER CA . 25280 1
180 . 1 1 18 18 SER CB C 13 63.883 0.007 . 1 . . . A 590 SER CB . 25280 1
181 . 1 1 18 18 SER N N 15 116.421 0.014 . 1 . . . A 590 SER N . 25280 1
182 . 1 1 19 19 SER H H 1 8.362 0.001 . 1 . . . A 591 SER H . 25280 1
183 . 1 1 19 19 SER HA H 1 4.518 0.034 . 1 . . . A 591 SER HA . 25280 1
184 . 1 1 19 19 SER HB2 H 1 3.859 0.034 . 2 . . . A 591 SER HB2 . 25280 1
185 . 1 1 19 19 SER HB3 H 1 3.859 0.034 . 2 . . . A 591 SER HB3 . 25280 1
186 . 1 1 19 19 SER C C 13 174.248 0.100 . 1 . . . A 591 SER C . 25280 1
187 . 1 1 19 19 SER CA C 13 58.151 0.019 . 1 . . . A 591 SER CA . 25280 1
188 . 1 1 19 19 SER CB C 13 63.838 0.021 . 1 . . . A 591 SER CB . 25280 1
189 . 1 1 19 19 SER N N 15 118.675 0.010 . 1 . . . A 591 SER N . 25280 1
190 . 1 1 20 20 SER H H 1 8.336 0.001 . 1 . . . A 592 SER H . 25280 1
191 . 1 1 20 20 SER HB2 H 1 3.780 0.034 . 2 . . . A 592 SER HB2 . 25280 1
192 . 1 1 20 20 SER HB3 H 1 3.780 0.034 . 2 . . . A 592 SER HB3 . 25280 1
193 . 1 1 20 20 SER CA C 13 56.483 0.035 . 1 . . . A 592 SER CA . 25280 1
194 . 1 1 20 20 SER CB C 13 63.507 0.010 . 1 . . . A 592 SER CB . 25280 1
195 . 1 1 20 20 SER N N 15 119.791 0.010 . 1 . . . A 592 SER N . 25280 1
196 . 1 1 21 21 PRO HA H 1 4.459 0.002 . 1 . . . A 593 PRO HA . 25280 1
197 . 1 1 21 21 PRO HB2 H 1 2.290 0.011 . 2 . . . A 593 PRO HB2 . 25280 1
198 . 1 1 21 21 PRO HB3 H 1 1.920 0.034 . 2 . . . A 593 PRO HB3 . 25280 1
199 . 1 1 21 21 PRO HG2 H 1 2.002 0.034 . 2 . . . A 593 PRO HG2 . 25280 1
200 . 1 1 21 21 PRO HG3 H 1 2.002 0.034 . 2 . . . A 593 PRO HG3 . 25280 1
201 . 1 1 21 21 PRO HD2 H 1 3.783 0.014 . 2 . . . A 593 PRO HD2 . 25280 1
202 . 1 1 21 21 PRO HD3 H 1 3.783 0.014 . 2 . . . A 593 PRO HD3 . 25280 1
203 . 1 1 21 21 PRO C C 13 177.157 0.100 . 1 . . . A 593 PRO C . 25280 1
204 . 1 1 21 21 PRO CA C 13 63.337 0.126 . 1 . . . A 593 PRO CA . 25280 1
205 . 1 1 21 21 PRO CB C 13 32.146 0.087 . 1 . . . A 593 PRO CB . 25280 1
206 . 1 1 21 21 PRO CG C 13 27.401 0.118 . 1 . . . A 593 PRO CG . 25280 1
207 . 1 1 21 21 PRO CD C 13 50.660 0.035 . 1 . . . A 593 PRO CD . 25280 1
208 . 1 1 22 22 SER H H 1 8.436 0.002 . 1 . . . A 594 SER H . 25280 1
209 . 1 1 22 22 SER HA H 1 4.405 0.006 . 1 . . . A 594 SER HA . 25280 1
210 . 1 1 22 22 SER HB2 H 1 3.857 0.004 . 2 . . . A 594 SER HB2 . 25280 1
211 . 1 1 22 22 SER HB3 H 1 3.857 0.004 . 2 . . . A 594 SER HB3 . 25280 1
212 . 1 1 22 22 SER C C 13 174.598 0.100 . 1 . . . A 594 SER C . 25280 1
213 . 1 1 22 22 SER CA C 13 58.283 0.048 . 1 . . . A 594 SER CA . 25280 1
214 . 1 1 22 22 SER CB C 13 63.781 0.088 . 1 . . . A 594 SER CB . 25280 1
215 . 1 1 22 22 SER N N 15 117.029 0.020 . 1 . . . A 594 SER N . 25280 1
216 . 1 1 23 23 ASN H H 1 8.460 0.002 . 1 . . . A 595 ASN H . 25280 1
217 . 1 1 23 23 ASN HA H 1 4.711 0.034 . 1 . . . A 595 ASN HA . 25280 1
218 . 1 1 23 23 ASN HB2 H 1 2.790 0.009 . 2 . . . A 595 ASN HB2 . 25280 1
219 . 1 1 23 23 ASN HB3 H 1 2.790 0.009 . 2 . . . A 595 ASN HB3 . 25280 1
220 . 1 1 23 23 ASN C C 13 175.209 0.100 . 1 . . . A 595 ASN C . 25280 1
221 . 1 1 23 23 ASN CA C 13 53.483 0.030 . 1 . . . A 595 ASN CA . 25280 1
222 . 1 1 23 23 ASN CB C 13 39.060 0.059 . 1 . . . A 595 ASN CB . 25280 1
223 . 1 1 23 23 ASN N N 15 121.830 0.022 . 1 . . . A 595 ASN N . 25280 1
224 . 1 1 24 24 ASP H H 1 8.304 0.001 . 1 . . . A 596 ASP H . 25280 1
225 . 1 1 24 24 ASP HA H 1 4.562 0.003 . 1 . . . A 596 ASP HA . 25280 1
226 . 1 1 24 24 ASP HB2 H 1 2.659 0.034 . 2 . . . A 596 ASP HB2 . 25280 1
227 . 1 1 24 24 ASP HB3 H 1 2.659 0.034 . 2 . . . A 596 ASP HB3 . 25280 1
228 . 1 1 24 24 ASP C C 13 176.786 0.100 . 1 . . . A 596 ASP C . 25280 1
229 . 1 1 24 24 ASP CA C 13 54.776 0.029 . 1 . . . A 596 ASP CA . 25280 1
230 . 1 1 24 24 ASP CB C 13 41.079 0.027 . 1 . . . A 596 ASP CB . 25280 1
231 . 1 1 24 24 ASP N N 15 121.947 0.018 . 1 . . . A 596 ASP N . 25280 1
232 . 1 1 25 25 GLU H H 1 8.386 0.001 . 1 . . . A 597 GLU H . 25280 1
233 . 1 1 25 25 GLU HA H 1 4.108 0.007 . 1 . . . A 597 GLU HA . 25280 1
234 . 1 1 25 25 GLU HB2 H 1 1.978 0.034 . 2 . . . A 597 GLU HB2 . 25280 1
235 . 1 1 25 25 GLU HB3 H 1 1.978 0.034 . 2 . . . A 597 GLU HB3 . 25280 1
236 . 1 1 25 25 GLU HG2 H 1 2.246 0.034 . 2 . . . A 597 GLU HG2 . 25280 1
237 . 1 1 25 25 GLU HG3 H 1 2.246 0.034 . 2 . . . A 597 GLU HG3 . 25280 1
238 . 1 1 25 25 GLU C C 13 177.594 0.100 . 1 . . . A 597 GLU C . 25280 1
239 . 1 1 25 25 GLU CA C 13 57.983 0.055 . 1 . . . A 597 GLU CA . 25280 1
240 . 1 1 25 25 GLU CB C 13 29.907 0.058 . 1 . . . A 597 GLU CB . 25280 1
241 . 1 1 25 25 GLU CG C 13 36.335 0.026 . 1 . . . A 597 GLU CG . 25280 1
242 . 1 1 25 25 GLU N N 15 122.671 0.014 . 1 . . . A 597 GLU N . 25280 1
243 . 1 1 26 26 ALA H H 1 8.238 0.005 . 1 . . . A 598 ALA H . 25280 1
244 . 1 1 26 26 ALA HB1 H 1 1.402 0.034 . 1 . . . A 598 ALA HB1 . 25280 1
245 . 1 1 26 26 ALA HB2 H 1 1.402 0.034 . 1 . . . A 598 ALA HB2 . 25280 1
246 . 1 1 26 26 ALA HB3 H 1 1.402 0.034 . 1 . . . A 598 ALA HB3 . 25280 1
247 . 1 1 26 26 ALA C C 13 178.718 0.100 . 1 . . . A 598 ALA C . 25280 1
248 . 1 1 26 26 ALA CA C 13 53.540 0.019 . 1 . . . A 598 ALA CA . 25280 1
249 . 1 1 26 26 ALA CB C 13 18.651 0.038 . 1 . . . A 598 ALA CB . 25280 1
250 . 1 1 26 26 ALA N N 15 124.768 0.031 . 1 . . . A 598 ALA N . 25280 1
251 . 1 1 27 27 ALA H H 1 8.017 0.004 . 1 . . . A 599 ALA H . 25280 1
252 . 1 1 27 27 ALA HA H 1 4.225 0.002 . 1 . . . A 599 ALA HA . 25280 1
253 . 1 1 27 27 ALA HB1 H 1 1.413 0.002 . 1 . . . A 599 ALA HB1 . 25280 1
254 . 1 1 27 27 ALA HB2 H 1 1.413 0.002 . 1 . . . A 599 ALA HB2 . 25280 1
255 . 1 1 27 27 ALA HB3 H 1 1.413 0.002 . 1 . . . A 599 ALA HB3 . 25280 1
256 . 1 1 27 27 ALA C C 13 178.997 0.100 . 1 . . . A 599 ALA C . 25280 1
257 . 1 1 27 27 ALA CA C 13 53.382 0.042 . 1 . . . A 599 ALA CA . 25280 1
258 . 1 1 27 27 ALA CB C 13 18.779 0.087 . 1 . . . A 599 ALA CB . 25280 1
259 . 1 1 27 27 ALA N N 15 122.932 0.039 . 1 . . . A 599 ALA N . 25280 1
260 . 1 1 28 28 MET H H 1 8.096 0.004 . 1 . . . A 600 MET H . 25280 1
261 . 1 1 28 28 MET HA H 1 4.386 0.014 . 1 . . . A 600 MET HA . 25280 1
262 . 1 1 28 28 MET HB2 H 1 2.071 0.034 . 2 . . . A 600 MET HB2 . 25280 1
263 . 1 1 28 28 MET HB3 H 1 2.071 0.034 . 2 . . . A 600 MET HB3 . 25280 1
264 . 1 1 28 28 MET HG2 H 1 2.587 0.003 . 2 . . . A 600 MET HG2 . 25280 1
265 . 1 1 28 28 MET HG3 H 1 2.587 0.003 . 2 . . . A 600 MET HG3 . 25280 1
266 . 1 1 28 28 MET C C 13 176.748 0.100 . 1 . . . A 600 MET C . 25280 1
267 . 1 1 28 28 MET CA C 13 56.058 0.028 . 1 . . . A 600 MET CA . 25280 1
268 . 1 1 28 28 MET CB C 13 32.504 0.089 . 1 . . . A 600 MET CB . 25280 1
269 . 1 1 28 28 MET CG C 13 32.073 0.030 . 1 . . . A 600 MET CG . 25280 1
270 . 1 1 28 28 MET N N 15 119.295 0.026 . 1 . . . A 600 MET N . 25280 1
271 . 1 1 29 29 ALA H H 1 8.049 0.002 . 1 . . . A 601 ALA H . 25280 1
272 . 1 1 29 29 ALA HA H 1 4.228 0.007 . 1 . . . A 601 ALA HA . 25280 1
273 . 1 1 29 29 ALA HB1 H 1 1.399 0.006 . 1 . . . A 601 ALA HB1 . 25280 1
274 . 1 1 29 29 ALA HB2 H 1 1.399 0.006 . 1 . . . A 601 ALA HB2 . 25280 1
275 . 1 1 29 29 ALA HB3 H 1 1.399 0.006 . 1 . . . A 601 ALA HB3 . 25280 1
276 . 1 1 29 29 ALA C C 13 178.702 0.100 . 1 . . . A 601 ALA C . 25280 1
277 . 1 1 29 29 ALA CA C 13 53.415 0.096 . 1 . . . A 601 ALA CA . 25280 1
278 . 1 1 29 29 ALA CB C 13 18.732 0.079 . 1 . . . A 601 ALA CB . 25280 1
279 . 1 1 29 29 ALA N N 15 124.814 0.050 . 1 . . . A 601 ALA N . 25280 1
280 . 1 1 30 30 VAL H H 1 7.844 0.005 . 1 . . . A 602 VAL H . 25280 1
281 . 1 1 30 30 VAL HA H 1 3.938 0.008 . 1 . . . A 602 VAL HA . 25280 1
282 . 1 1 30 30 VAL HB H 1 2.075 0.009 . 1 . . . A 602 VAL HB . 25280 1
283 . 1 1 30 30 VAL HG11 H 1 0.975 0.018 . 2 . . . A 602 VAL HG11 . 25280 1
284 . 1 1 30 30 VAL HG12 H 1 0.975 0.018 . 2 . . . A 602 VAL HG12 . 25280 1
285 . 1 1 30 30 VAL HG13 H 1 0.975 0.018 . 2 . . . A 602 VAL HG13 . 25280 1
286 . 1 1 30 30 VAL HG21 H 1 0.886 0.034 . 2 . . . A 602 VAL HG21 . 25280 1
287 . 1 1 30 30 VAL HG22 H 1 0.886 0.034 . 2 . . . A 602 VAL HG22 . 25280 1
288 . 1 1 30 30 VAL HG23 H 1 0.886 0.034 . 2 . . . A 602 VAL HG23 . 25280 1
289 . 1 1 30 30 VAL C C 13 177.022 0.100 . 1 . . . A 602 VAL C . 25280 1
290 . 1 1 30 30 VAL CA C 13 63.561 0.048 . 1 . . . A 602 VAL CA . 25280 1
291 . 1 1 30 30 VAL CB C 13 32.473 0.120 . 1 . . . A 602 VAL CB . 25280 1
292 . 1 1 30 30 VAL N N 15 120.238 0.022 . 1 . . . A 602 VAL N . 25280 1
293 . 1 1 31 31 ILE H H 1 8.003 0.004 . 1 . . . A 603 ILE H . 25280 1
294 . 1 1 31 31 ILE HA H 1 3.994 0.007 . 1 . . . A 603 ILE HA . 25280 1
295 . 1 1 31 31 ILE HB H 1 1.904 0.008 . 1 . . . A 603 ILE HB . 25280 1
296 . 1 1 31 31 ILE HG12 H 1 1.523 0.008 . 2 . . . A 603 ILE HG12 . 25280 1
297 . 1 1 31 31 ILE HG13 H 1 1.200 0.013 . 2 . . . A 603 ILE HG13 . 25280 1
298 . 1 1 31 31 ILE HG21 H 1 0.881 0.001 . 1 . . . A 603 ILE HG21 . 25280 1
299 . 1 1 31 31 ILE HG22 H 1 0.881 0.001 . 1 . . . A 603 ILE HG22 . 25280 1
300 . 1 1 31 31 ILE HG23 H 1 0.881 0.001 . 1 . . . A 603 ILE HG23 . 25280 1
301 . 1 1 31 31 ILE HD11 H 1 0.823 0.034 . 1 . . . A 603 ILE HD11 . 25280 1
302 . 1 1 31 31 ILE HD12 H 1 0.823 0.034 . 1 . . . A 603 ILE HD12 . 25280 1
303 . 1 1 31 31 ILE HD13 H 1 0.823 0.034 . 1 . . . A 603 ILE HD13 . 25280 1
304 . 1 1 31 31 ILE C C 13 177.159 0.100 . 1 . . . A 603 ILE C . 25280 1
305 . 1 1 31 31 ILE CA C 13 62.259 0.077 . 1 . . . A 603 ILE CA . 25280 1
306 . 1 1 31 31 ILE CB C 13 38.292 0.086 . 1 . . . A 603 ILE CB . 25280 1
307 . 1 1 31 31 ILE CG1 C 13 27.879 0.126 . 1 . . . A 603 ILE CG1 . 25280 1
308 . 1 1 31 31 ILE CG2 C 13 17.453 0.084 . 1 . . . A 603 ILE CG2 . 25280 1
309 . 1 1 31 31 ILE CD1 C 13 12.569 0.189 . 1 . . . A 603 ILE CD1 . 25280 1
310 . 1 1 31 31 ILE N N 15 124.753 0.023 . 1 . . . A 603 ILE N . 25280 1
311 . 1 1 32 32 MET H H 1 8.414 0.002 . 1 . . . A 604 MET H . 25280 1
312 . 1 1 32 32 MET HA H 1 4.412 0.034 . 1 . . . A 604 MET HA . 25280 1
313 . 1 1 32 32 MET HG2 H 1 2.591 0.034 . 2 . . . A 604 MET HG2 . 25280 1
314 . 1 1 32 32 MET HG3 H 1 2.591 0.034 . 2 . . . A 604 MET HG3 . 25280 1
315 . 1 1 32 32 MET C C 13 177.004 0.100 . 1 . . . A 604 MET C . 25280 1
316 . 1 1 32 32 MET CA C 13 56.136 0.027 . 1 . . . A 604 MET CA . 25280 1
317 . 1 1 32 32 MET CB C 13 32.466 0.078 . 1 . . . A 604 MET CB . 25280 1
318 . 1 1 32 32 MET CG C 13 32.173 0.035 . 1 . . . A 604 MET CG . 25280 1
319 . 1 1 32 32 MET N N 15 123.600 0.050 . 1 . . . A 604 MET N . 25280 1
320 . 1 1 33 33 SER H H 1 8.175 0.001 . 1 . . . A 605 SER H . 25280 1
321 . 1 1 33 33 SER HA H 1 4.376 0.008 . 1 . . . A 605 SER HA . 25280 1
322 . 1 1 33 33 SER HB2 H 1 3.901 0.004 . 2 . . . A 605 SER HB2 . 25280 1
323 . 1 1 33 33 SER HB3 H 1 3.901 0.004 . 2 . . . A 605 SER HB3 . 25280 1
324 . 1 1 33 33 SER C C 13 175.040 0.100 . 1 . . . A 605 SER C . 25280 1
325 . 1 1 33 33 SER CA C 13 59.160 0.073 . 1 . . . A 605 SER CA . 25280 1
326 . 1 1 33 33 SER CB C 13 63.539 0.005 . 1 . . . A 605 SER CB . 25280 1
327 . 1 1 33 33 SER N N 15 117.561 0.012 . 1 . . . A 605 SER N . 25280 1
328 . 1 1 34 34 LEU H H 1 8.098 0.003 . 1 . . . A 606 LEU H . 25280 1
329 . 1 1 34 34 LEU HA H 1 4.329 0.034 . 1 . . . A 606 LEU HA . 25280 1
330 . 1 1 34 34 LEU C C 13 177.786 0.100 . 1 . . . A 606 LEU C . 25280 1
331 . 1 1 34 34 LEU CA C 13 55.735 0.035 . 1 . . . A 606 LEU CA . 25280 1
332 . 1 1 34 34 LEU CB C 13 42.208 0.041 . 1 . . . A 606 LEU CB . 25280 1
333 . 1 1 34 34 LEU N N 15 124.783 0.025 . 1 . . . A 606 LEU N . 25280 1
334 . 1 1 35 35 LEU H H 1 8.015 0.005 . 1 . . . A 607 LEU H . 25280 1
335 . 1 1 35 35 LEU HA H 1 4.311 0.012 . 1 . . . A 607 LEU HA . 25280 1
336 . 1 1 35 35 LEU HB2 H 1 1.631 0.010 . 2 . . . A 607 LEU HB2 . 25280 1
337 . 1 1 35 35 LEU HB3 H 1 1.631 0.010 . 2 . . . A 607 LEU HB3 . 25280 1
338 . 1 1 35 35 LEU HG H 1 1.602 0.034 . 1 . . . A 607 LEU HG . 25280 1
339 . 1 1 35 35 LEU HD11 H 1 0.896 0.002 . 2 . . . A 607 LEU HD11 . 25280 1
340 . 1 1 35 35 LEU HD12 H 1 0.896 0.002 . 2 . . . A 607 LEU HD12 . 25280 1
341 . 1 1 35 35 LEU HD13 H 1 0.896 0.002 . 2 . . . A 607 LEU HD13 . 25280 1
342 . 1 1 35 35 LEU HD21 H 1 0.841 0.004 . 2 . . . A 607 LEU HD21 . 25280 1
343 . 1 1 35 35 LEU HD22 H 1 0.841 0.004 . 2 . . . A 607 LEU HD22 . 25280 1
344 . 1 1 35 35 LEU HD23 H 1 0.841 0.004 . 2 . . . A 607 LEU HD23 . 25280 1
345 . 1 1 35 35 LEU C C 13 177.931 0.100 . 1 . . . A 607 LEU C . 25280 1
346 . 1 1 35 35 LEU CA C 13 55.664 0.133 . 1 . . . A 607 LEU CA . 25280 1
347 . 1 1 35 35 LEU CB C 13 42.312 0.029 . 1 . . . A 607 LEU CB . 25280 1
348 . 1 1 35 35 LEU CG C 13 26.972 0.073 . 1 . . . A 607 LEU CG . 25280 1
349 . 1 1 35 35 LEU CD1 C 13 24.983 0.011 . 2 . . . A 607 LEU CD1 . 25280 1
350 . 1 1 35 35 LEU CD2 C 13 23.261 0.037 . 2 . . . A 607 LEU CD2 . 25280 1
351 . 1 1 35 35 LEU N N 15 122.607 0.031 . 1 . . . A 607 LEU N . 25280 1
352 . 1 1 36 36 GLU H H 1 8.195 0.002 . 1 . . . A 608 GLU H . 25280 1
353 . 1 1 36 36 GLU HA H 1 4.204 0.007 . 1 . . . A 608 GLU HA . 25280 1
354 . 1 1 36 36 GLU HB2 H 1 1.993 0.034 . 2 . . . A 608 GLU HB2 . 25280 1
355 . 1 1 36 36 GLU HB3 H 1 1.993 0.034 . 2 . . . A 608 GLU HB3 . 25280 1
356 . 1 1 36 36 GLU HG2 H 1 2.260 0.011 . 2 . . . A 608 GLU HG2 . 25280 1
357 . 1 1 36 36 GLU HG3 H 1 2.260 0.011 . 2 . . . A 608 GLU HG3 . 25280 1
358 . 1 1 36 36 GLU C C 13 176.724 0.100 . 1 . . . A 608 GLU C . 25280 1
359 . 1 1 36 36 GLU CA C 13 56.781 0.033 . 1 . . . A 608 GLU CA . 25280 1
360 . 1 1 36 36 GLU CB C 13 30.050 0.259 . 1 . . . A 608 GLU CB . 25280 1
361 . 1 1 36 36 GLU CG C 13 36.253 0.011 . 1 . . . A 608 GLU CG . 25280 1
362 . 1 1 36 36 GLU N N 15 121.924 0.035 . 1 . . . A 608 GLU N . 25280 1
363 . 1 1 37 37 ALA H H 1 8.156 0.002 . 1 . . . A 609 ALA H . 25280 1
364 . 1 1 37 37 ALA HA H 1 4.223 0.034 . 1 . . . A 609 ALA HA . 25280 1
365 . 1 1 37 37 ALA HB1 H 1 1.387 0.004 . 1 . . . A 609 ALA HB1 . 25280 1
366 . 1 1 37 37 ALA HB2 H 1 1.387 0.004 . 1 . . . A 609 ALA HB2 . 25280 1
367 . 1 1 37 37 ALA HB3 H 1 1.387 0.004 . 1 . . . A 609 ALA HB3 . 25280 1
368 . 1 1 37 37 ALA C C 13 177.820 0.100 . 1 . . . A 609 ALA C . 25280 1
369 . 1 1 37 37 ALA CA C 13 52.977 0.017 . 1 . . . A 609 ALA CA . 25280 1
370 . 1 1 37 37 ALA CB C 13 19.185 0.128 . 1 . . . A 609 ALA CB . 25280 1
371 . 1 1 37 37 ALA N N 15 125.187 0.014 . 1 . . . A 609 ALA N . 25280 1
372 . 1 1 38 38 ASP H H 1 8.215 0.001 . 1 . . . A 610 ASP H . 25280 1
373 . 1 1 38 38 ASP HA H 1 4.549 0.004 . 1 . . . A 610 ASP HA . 25280 1
374 . 1 1 38 38 ASP HB2 H 1 2.669 0.001 . 2 . . . A 610 ASP HB2 . 25280 1
375 . 1 1 38 38 ASP HB3 H 1 2.669 0.001 . 2 . . . A 610 ASP HB3 . 25280 1
376 . 1 1 38 38 ASP C C 13 176.473 0.100 . 1 . . . A 610 ASP C . 25280 1
377 . 1 1 38 38 ASP CA C 13 54.344 0.027 . 1 . . . A 610 ASP CA . 25280 1
378 . 1 1 38 38 ASP CB C 13 41.237 0.074 . 1 . . . A 610 ASP CB . 25280 1
379 . 1 1 38 38 ASP N N 15 120.160 0.038 . 1 . . . A 610 ASP N . 25280 1
380 . 1 1 39 39 ALA H H 1 8.211 0.001 . 1 . . . A 611 ALA H . 25280 1
381 . 1 1 39 39 ALA HB1 H 1 1.409 0.004 . 1 . . . A 611 ALA HB1 . 25280 1
382 . 1 1 39 39 ALA HB2 H 1 1.409 0.004 . 1 . . . A 611 ALA HB2 . 25280 1
383 . 1 1 39 39 ALA HB3 H 1 1.409 0.004 . 1 . . . A 611 ALA HB3 . 25280 1
384 . 1 1 39 39 ALA C C 13 178.551 0.100 . 1 . . . A 611 ALA C . 25280 1
385 . 1 1 39 39 ALA CA C 13 53.032 0.013 . 1 . . . A 611 ALA CA . 25280 1
386 . 1 1 39 39 ALA CB C 13 19.186 0.059 . 1 . . . A 611 ALA CB . 25280 1
387 . 1 1 39 39 ALA N N 15 125.726 0.018 . 1 . . . A 611 ALA N . 25280 1
388 . 1 1 40 40 GLY H H 1 8.417 0.003 . 1 . . . A 612 GLY H . 25280 1
389 . 1 1 40 40 GLY HA2 H 1 3.916 0.001 . 2 . . . A 612 GLY HA2 . 25280 1
390 . 1 1 40 40 GLY HA3 H 1 3.916 0.001 . 2 . . . A 612 GLY HA3 . 25280 1
391 . 1 1 40 40 GLY C C 13 174.674 0.100 . 1 . . . A 612 GLY C . 25280 1
392 . 1 1 40 40 GLY CA C 13 45.512 0.035 . 1 . . . A 612 GLY CA . 25280 1
393 . 1 1 40 40 GLY N N 15 108.311 0.030 . 1 . . . A 612 GLY N . 25280 1
394 . 1 1 41 41 LEU H H 1 8.032 0.008 . 1 . . . A 613 LEU H . 25280 1
395 . 1 1 41 41 LEU HA H 1 4.294 0.006 . 1 . . . A 613 LEU HA . 25280 1
396 . 1 1 41 41 LEU HB2 H 1 1.618 0.034 . 2 . . . A 613 LEU HB2 . 25280 1
397 . 1 1 41 41 LEU HB3 H 1 1.618 0.034 . 2 . . . A 613 LEU HB3 . 25280 1
398 . 1 1 41 41 LEU HG H 1 1.661 0.017 . 1 . . . A 613 LEU HG . 25280 1
399 . 1 1 41 41 LEU HD11 H 1 0.880 0.019 . 2 . . . A 613 LEU HD11 . 25280 1
400 . 1 1 41 41 LEU HD12 H 1 0.880 0.019 . 2 . . . A 613 LEU HD12 . 25280 1
401 . 1 1 41 41 LEU HD13 H 1 0.880 0.019 . 2 . . . A 613 LEU HD13 . 25280 1
402 . 1 1 41 41 LEU HD21 H 1 0.861 0.009 . 2 . . . A 613 LEU HD21 . 25280 1
403 . 1 1 41 41 LEU HD22 H 1 0.861 0.009 . 2 . . . A 613 LEU HD22 . 25280 1
404 . 1 1 41 41 LEU HD23 H 1 0.861 0.009 . 2 . . . A 613 LEU HD23 . 25280 1
405 . 1 1 41 41 LEU C C 13 178.154 0.100 . 1 . . . A 613 LEU C . 25280 1
406 . 1 1 41 41 LEU CA C 13 55.410 0.024 . 1 . . . A 613 LEU CA . 25280 1
407 . 1 1 41 41 LEU CB C 13 42.337 0.030 . 1 . . . A 613 LEU CB . 25280 1
408 . 1 1 41 41 LEU CG C 13 26.924 0.035 . 1 . . . A 613 LEU CG . 25280 1
409 . 1 1 41 41 LEU CD1 C 13 24.993 0.035 . 2 . . . A 613 LEU CD1 . 25280 1
410 . 1 1 41 41 LEU CD2 C 13 23.153 0.035 . 2 . . . A 613 LEU CD2 . 25280 1
411 . 1 1 41 41 LEU N N 15 122.118 0.041 . 1 . . . A 613 LEU N . 25280 1
412 . 1 1 42 42 GLY H H 1 8.438 0.001 . 1 . . . A 614 GLY H . 25280 1
413 . 1 1 42 42 GLY HA2 H 1 3.948 0.034 . 2 . . . A 614 GLY HA2 . 25280 1
414 . 1 1 42 42 GLY HA3 H 1 3.948 0.034 . 2 . . . A 614 GLY HA3 . 25280 1
415 . 1 1 42 42 GLY C C 13 174.394 0.100 . 1 . . . A 614 GLY C . 25280 1
416 . 1 1 42 42 GLY CA C 13 45.088 0.035 . 1 . . . A 614 GLY CA . 25280 1
417 . 1 1 42 42 GLY N N 15 110.297 0.035 . 1 . . . A 614 GLY N . 25280 1
418 . 1 1 43 43 GLY H H 1 8.048 0.001 . 1 . . . A 615 GLY H . 25280 1
419 . 1 1 43 43 GLY CA C 13 44.453 0.035 . 1 . . . A 615 GLY CA . 25280 1
420 . 1 1 43 43 GLY N N 15 109.713 0.072 . 1 . . . A 615 GLY N . 25280 1
421 . 1 1 44 44 PRO HA H 1 4.416 0.004 . 1 . . . A 616 PRO HA . 25280 1
422 . 1 1 44 44 PRO HB2 H 1 2.218 0.009 . 2 . . . A 616 PRO HB2 . 25280 1
423 . 1 1 44 44 PRO HB3 H 1 1.861 0.001 . 2 . . . A 616 PRO HB3 . 25280 1
424 . 1 1 44 44 PRO HG2 H 1 1.953 0.007 . 2 . . . A 616 PRO HG2 . 25280 1
425 . 1 1 44 44 PRO HG3 H 1 1.953 0.007 . 2 . . . A 616 PRO HG3 . 25280 1
426 . 1 1 44 44 PRO HD2 H 1 3.561 0.011 . 2 . . . A 616 PRO HD2 . 25280 1
427 . 1 1 44 44 PRO HD3 H 1 3.561 0.011 . 2 . . . A 616 PRO HD3 . 25280 1
428 . 1 1 44 44 PRO C C 13 177.182 0.100 . 1 . . . A 616 PRO C . 25280 1
429 . 1 1 44 44 PRO CA C 13 63.037 0.078 . 1 . . . A 616 PRO CA . 25280 1
430 . 1 1 44 44 PRO CB C 13 32.164 0.082 . 1 . . . A 616 PRO CB . 25280 1
431 . 1 1 44 44 PRO CG C 13 27.249 0.112 . 1 . . . A 616 PRO CG . 25280 1
432 . 1 1 44 44 PRO CD C 13 49.574 0.039 . 1 . . . A 616 PRO CD . 25280 1
433 . 1 1 45 45 VAL H H 1 8.207 0.008 . 1 . . . A 617 VAL H . 25280 1
434 . 1 1 45 45 VAL HA H 1 4.041 0.009 . 1 . . . A 617 VAL HA . 25280 1
435 . 1 1 45 45 VAL HB H 1 1.946 0.008 . 1 . . . A 617 VAL HB . 25280 1
436 . 1 1 45 45 VAL HG11 H 1 0.851 0.012 . 2 . . . A 617 VAL HG11 . 25280 1
437 . 1 1 45 45 VAL HG12 H 1 0.851 0.012 . 2 . . . A 617 VAL HG12 . 25280 1
438 . 1 1 45 45 VAL HG13 H 1 0.851 0.012 . 2 . . . A 617 VAL HG13 . 25280 1
439 . 1 1 45 45 VAL HG21 H 1 0.784 0.014 . 2 . . . A 617 VAL HG21 . 25280 1
440 . 1 1 45 45 VAL HG22 H 1 0.784 0.014 . 2 . . . A 617 VAL HG22 . 25280 1
441 . 1 1 45 45 VAL HG23 H 1 0.784 0.014 . 2 . . . A 617 VAL HG23 . 25280 1
442 . 1 1 45 45 VAL C C 13 175.611 0.100 . 1 . . . A 617 VAL C . 25280 1
443 . 1 1 45 45 VAL CA C 13 62.085 0.080 . 1 . . . A 617 VAL CA . 25280 1
444 . 1 1 45 45 VAL CB C 13 32.975 0.046 . 1 . . . A 617 VAL CB . 25280 1
445 . 1 1 45 45 VAL CG1 C 13 20.589 0.035 . 2 . . . A 617 VAL CG1 . 25280 1
446 . 1 1 45 45 VAL N N 15 120.831 0.028 . 1 . . . A 617 VAL N . 25280 1
447 . 1 1 46 46 ASP H H 1 8.264 0.003 . 1 . . . A 618 ASP H . 25280 1
448 . 1 1 46 46 ASP HA H 1 4.546 0.034 . 1 . . . A 618 ASP HA . 25280 1
449 . 1 1 46 46 ASP HB2 H 1 2.564 0.003 . 2 . . . A 618 ASP HB2 . 25280 1
450 . 1 1 46 46 ASP HB3 H 1 2.564 0.003 . 2 . . . A 618 ASP HB3 . 25280 1
451 . 1 1 46 46 ASP C C 13 175.995 0.100 . 1 . . . A 618 ASP C . 25280 1
452 . 1 1 46 46 ASP CA C 13 53.977 0.163 . 1 . . . A 618 ASP CA . 25280 1
453 . 1 1 46 46 ASP CB C 13 41.472 0.085 . 1 . . . A 618 ASP CB . 25280 1
454 . 1 1 46 46 ASP N N 15 124.518 0.021 . 1 . . . A 618 ASP N . 25280 1
455 . 1 1 47 47 PHE H H 1 8.263 0.005 . 1 . . . A 619 PHE H . 25280 1
456 . 1 1 47 47 PHE HA H 1 4.578 0.009 . 1 . . . A 619 PHE HA . 25280 1
457 . 1 1 47 47 PHE HB2 H 1 3.181 0.007 . 2 . . . A 619 PHE HB2 . 25280 1
458 . 1 1 47 47 PHE HB3 H 1 3.001 0.012 . 2 . . . A 619 PHE HB3 . 25280 1
459 . 1 1 47 47 PHE HD1 H 1 7.226 0.007 . 3 . . . A 619 PHE HD1 . 25280 1
460 . 1 1 47 47 PHE HD2 H 1 7.226 0.007 . 3 . . . A 619 PHE HD2 . 25280 1
461 . 1 1 47 47 PHE C C 13 176.025 0.100 . 1 . . . A 619 PHE C . 25280 1
462 . 1 1 47 47 PHE CA C 13 57.977 0.024 . 1 . . . A 619 PHE CA . 25280 1
463 . 1 1 47 47 PHE CB C 13 39.363 0.101 . 1 . . . A 619 PHE CB . 25280 1
464 . 1 1 47 47 PHE CD1 C 13 131.762 0.035 . 3 . . . A 619 PHE CD1 . 25280 1
465 . 1 1 47 47 PHE N N 15 122.549 0.066 . 1 . . . A 619 PHE N . 25280 1
466 . 1 1 48 48 SER H H 1 8.274 0.001 . 1 . . . A 620 SER H . 25280 1
467 . 1 1 48 48 SER HA H 1 4.325 0.007 . 1 . . . A 620 SER HA . 25280 1
468 . 1 1 48 48 SER HB2 H 1 3.804 0.002 . 2 . . . A 620 SER HB2 . 25280 1
469 . 1 1 48 48 SER HB3 H 1 3.804 0.002 . 2 . . . A 620 SER HB3 . 25280 1
470 . 1 1 48 48 SER C C 13 174.046 0.100 . 1 . . . A 620 SER C . 25280 1
471 . 1 1 48 48 SER CA C 13 58.935 0.068 . 1 . . . A 620 SER CA . 25280 1
472 . 1 1 48 48 SER CB C 13 63.804 0.102 . 1 . . . A 620 SER CB . 25280 1
473 . 1 1 48 48 SER N N 15 117.939 0.024 . 1 . . . A 620 SER N . 25280 1
474 . 1 1 49 49 ASP H H 1 8.218 0.001 . 1 . . . A 621 ASP H . 25280 1
475 . 1 1 49 49 ASP HA H 1 4.596 0.002 . 1 . . . A 621 ASP HA . 25280 1
476 . 1 1 49 49 ASP HB2 H 1 2.591 0.016 . 2 . . . A 621 ASP HB2 . 25280 1
477 . 1 1 49 49 ASP HB3 H 1 2.591 0.016 . 2 . . . A 621 ASP HB3 . 25280 1
478 . 1 1 49 49 ASP C C 13 175.660 0.100 . 1 . . . A 621 ASP C . 25280 1
479 . 1 1 49 49 ASP CA C 13 54.099 0.065 . 1 . . . A 621 ASP CA . 25280 1
480 . 1 1 49 49 ASP CB C 13 41.098 0.036 . 1 . . . A 621 ASP CB . 25280 1
481 . 1 1 49 49 ASP N N 15 122.844 0.033 . 1 . . . A 621 ASP N . 25280 1
482 . 1 1 50 50 LEU H H 1 7.900 0.002 . 1 . . . A 622 LEU H . 25280 1
483 . 1 1 50 50 LEU HA H 1 4.513 0.011 . 1 . . . A 622 LEU HA . 25280 1
484 . 1 1 50 50 LEU HB2 H 1 1.511 0.002 . 2 . . . A 622 LEU HB2 . 25280 1
485 . 1 1 50 50 LEU HB3 H 1 1.376 0.007 . 2 . . . A 622 LEU HB3 . 25280 1
486 . 1 1 50 50 LEU HG H 1 1.603 0.014 . 1 . . . A 622 LEU HG . 25280 1
487 . 1 1 50 50 LEU HD11 H 1 0.903 0.011 . 2 . . . A 622 LEU HD11 . 25280 1
488 . 1 1 50 50 LEU HD12 H 1 0.903 0.011 . 2 . . . A 622 LEU HD12 . 25280 1
489 . 1 1 50 50 LEU HD13 H 1 0.903 0.011 . 2 . . . A 622 LEU HD13 . 25280 1
490 . 1 1 50 50 LEU HD21 H 1 0.856 0.005 . 2 . . . A 622 LEU HD21 . 25280 1
491 . 1 1 50 50 LEU HD22 H 1 0.856 0.005 . 2 . . . A 622 LEU HD22 . 25280 1
492 . 1 1 50 50 LEU HD23 H 1 0.856 0.005 . 2 . . . A 622 LEU HD23 . 25280 1
493 . 1 1 50 50 LEU CA C 13 52.999 0.009 . 1 . . . A 622 LEU CA . 25280 1
494 . 1 1 50 50 LEU CB C 13 41.847 0.035 . 1 . . . A 622 LEU CB . 25280 1
495 . 1 1 50 50 LEU CG C 13 26.907 0.011 . 1 . . . A 622 LEU CG . 25280 1
496 . 1 1 50 50 LEU CD1 C 13 25.262 0.035 . 2 . . . A 622 LEU CD1 . 25280 1
497 . 1 1 50 50 LEU CD2 C 13 23.350 0.035 . 2 . . . A 622 LEU CD2 . 25280 1
498 . 1 1 50 50 LEU N N 15 123.866 0.030 . 1 . . . A 622 LEU N . 25280 1
499 . 1 1 51 51 PRO HA H 1 4.335 0.010 . 1 . . . A 623 PRO HA . 25280 1
500 . 1 1 51 51 PRO HB2 H 1 2.120 0.011 . 2 . . . A 623 PRO HB2 . 25280 1
501 . 1 1 51 51 PRO HB3 H 1 1.730 0.009 . 2 . . . A 623 PRO HB3 . 25280 1
502 . 1 1 51 51 PRO HG2 H 1 1.826 0.010 . 2 . . . A 623 PRO HG2 . 25280 1
503 . 1 1 51 51 PRO HG3 H 1 1.826 0.010 . 2 . . . A 623 PRO HG3 . 25280 1
504 . 1 1 51 51 PRO HD2 H 1 3.701 0.009 . 2 . . . A 623 PRO HD2 . 25280 1
505 . 1 1 51 51 PRO HD3 H 1 3.430 0.006 . 2 . . . A 623 PRO HD3 . 25280 1
506 . 1 1 51 51 PRO C C 13 176.353 0.100 . 1 . . . A 623 PRO C . 25280 1
507 . 1 1 51 51 PRO CA C 13 62.969 0.069 . 1 . . . A 623 PRO CA . 25280 1
508 . 1 1 51 51 PRO CB C 13 31.645 0.059 . 1 . . . A 623 PRO CB . 25280 1
509 . 1 1 51 51 PRO CG C 13 27.217 0.094 . 1 . . . A 623 PRO CG . 25280 1
510 . 1 1 51 51 PRO CD C 13 50.236 0.073 . 1 . . . A 623 PRO CD . 25280 1
511 . 1 1 52 52 TRP H H 1 7.967 0.005 . 1 . . . A 624 TRP H . 25280 1
512 . 1 1 52 52 TRP HA H 1 4.903 0.009 . 1 . . . A 624 TRP HA . 25280 1
513 . 1 1 52 52 TRP HB2 H 1 3.294 0.009 . 2 . . . A 624 TRP HB2 . 25280 1
514 . 1 1 52 52 TRP HB3 H 1 3.115 0.008 . 2 . . . A 624 TRP HB3 . 25280 1
515 . 1 1 52 52 TRP HD1 H 1 7.254 0.034 . 1 . . . A 624 TRP HD1 . 25280 1
516 . 1 1 52 52 TRP HE1 H 1 10.111 0.002 . 1 . . . A 624 TRP HE1 . 25280 1
517 . 1 1 52 52 TRP HE3 H 1 7.706 0.002 . 1 . . . A 624 TRP HE3 . 25280 1
518 . 1 1 52 52 TRP HZ2 H 1 7.489 0.003 . 1 . . . A 624 TRP HZ2 . 25280 1
519 . 1 1 52 52 TRP HZ3 H 1 7.160 0.001 . 1 . . . A 624 TRP HZ3 . 25280 1
520 . 1 1 52 52 TRP HH2 H 1 7.231 0.002 . 1 . . . A 624 TRP HH2 . 25280 1
521 . 1 1 52 52 TRP CA C 13 54.676 0.007 . 1 . . . A 624 TRP CA . 25280 1
522 . 1 1 52 52 TRP CB C 13 29.101 0.074 . 1 . . . A 624 TRP CB . 25280 1
523 . 1 1 52 52 TRP CD1 C 13 127.420 0.035 . 1 . . . A 624 TRP CD1 . 25280 1
524 . 1 1 52 52 TRP CE3 C 13 120.843 0.035 . 1 . . . A 624 TRP CE3 . 25280 1
525 . 1 1 52 52 TRP CZ2 C 13 114.582 0.035 . 1 . . . A 624 TRP CZ2 . 25280 1
526 . 1 1 52 52 TRP CZ3 C 13 121.988 0.035 . 1 . . . A 624 TRP CZ3 . 25280 1
527 . 1 1 52 52 TRP CH2 C 13 124.550 0.035 . 1 . . . A 624 TRP CH2 . 25280 1
528 . 1 1 52 52 TRP N N 15 123.246 0.024 . 1 . . . A 624 TRP N . 25280 1
529 . 1 1 52 52 TRP NE1 N 15 130.140 0.053 . 1 . . . A 624 TRP NE1 . 25280 1
530 . 1 1 53 53 PRO HA H 1 4.400 0.005 . 1 . . . A 625 PRO HA . 25280 1
531 . 1 1 53 53 PRO HB2 H 1 2.186 0.010 . 2 . . . A 625 PRO HB2 . 25280 1
532 . 1 1 53 53 PRO HB3 H 1 1.906 0.013 . 2 . . . A 625 PRO HB3 . 25280 1
533 . 1 1 53 53 PRO HG2 H 1 1.891 0.034 . 2 . . . A 625 PRO HG2 . 25280 1
534 . 1 1 53 53 PRO HG3 H 1 1.891 0.034 . 2 . . . A 625 PRO HG3 . 25280 1
535 . 1 1 53 53 PRO HD2 H 1 3.721 0.004 . 2 . . . A 625 PRO HD2 . 25280 1
536 . 1 1 53 53 PRO HD3 H 1 3.343 0.009 . 2 . . . A 625 PRO HD3 . 25280 1
537 . 1 1 53 53 PRO C C 13 175.962 0.100 . 1 . . . A 625 PRO C . 25280 1
538 . 1 1 53 53 PRO CA C 13 63.221 0.079 . 1 . . . A 625 PRO CA . 25280 1
539 . 1 1 53 53 PRO CB C 13 31.812 0.059 . 1 . . . A 625 PRO CB . 25280 1
540 . 1 1 53 53 PRO CG C 13 27.350 0.115 . 1 . . . A 625 PRO CG . 25280 1
541 . 1 1 53 53 PRO CD C 13 50.551 0.077 . 1 . . . A 625 PRO CD . 25280 1
542 . 1 1 54 54 LEU H H 1 7.704 0.004 . 1 . . . A 626 LEU H . 25280 1
543 . 1 1 54 54 LEU HA H 1 4.181 0.010 . 1 . . . A 626 LEU HA . 25280 1
544 . 1 1 54 54 LEU HB2 H 1 1.553 0.003 . 2 . . . A 626 LEU HB2 . 25280 1
545 . 1 1 54 54 LEU HB3 H 1 1.553 0.003 . 2 . . . A 626 LEU HB3 . 25280 1
546 . 1 1 54 54 LEU HG H 1 1.609 0.002 . 1 . . . A 626 LEU HG . 25280 1
547 . 1 1 54 54 LEU HD11 H 1 0.901 0.003 . 2 . . . A 626 LEU HD11 . 25280 1
548 . 1 1 54 54 LEU HD12 H 1 0.901 0.003 . 2 . . . A 626 LEU HD12 . 25280 1
549 . 1 1 54 54 LEU HD13 H 1 0.901 0.003 . 2 . . . A 626 LEU HD13 . 25280 1
550 . 1 1 54 54 LEU HD21 H 1 0.867 0.012 . 2 . . . A 626 LEU HD21 . 25280 1
551 . 1 1 54 54 LEU HD22 H 1 0.867 0.012 . 2 . . . A 626 LEU HD22 . 25280 1
552 . 1 1 54 54 LEU HD23 H 1 0.867 0.012 . 2 . . . A 626 LEU HD23 . 25280 1
553 . 1 1 54 54 LEU CA C 13 56.776 0.027 . 1 . . . A 626 LEU CA . 25280 1
554 . 1 1 54 54 LEU CB C 13 43.585 0.043 . 1 . . . A 626 LEU CB . 25280 1
555 . 1 1 54 54 LEU CG C 13 27.212 0.035 . 1 . . . A 626 LEU CG . 25280 1
556 . 1 1 54 54 LEU CD1 C 13 25.236 0.035 . 2 . . . A 626 LEU CD1 . 25280 1
557 . 1 1 54 54 LEU CD2 C 13 23.615 0.035 . 2 . . . A 626 LEU CD2 . 25280 1
558 . 1 1 54 54 LEU N N 15 129.086 0.018 . 1 . . . A 626 LEU N . 25280 1
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