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 25083
_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' . . . 25083 1
3 '3D CBCA(CO)NH' . . . 25083 1
4 '3D HNCO' . . . 25083 1
5 '3D HNCACB' . . . 25083 1
6 '3D HBHA(CO)NH' . . . 25083 1
7 '3D C(CO)NH' . . . 25083 1
8 '3D H(CCO)NH' . . . 25083 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
3 $CCPNMR . . 25083 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 MET HA H 1 4.420 0.002 . . . . . A 1 MET HA . 25083 1
2 . 1 1 1 1 MET HB2 H 1 1.968 0.006 . . . . . A 1 MET HB2 . 25083 1
3 . 1 1 1 1 MET HB3 H 1 1.857 0.005 . . . . . A 1 MET HB3 . 25083 1
4 . 1 1 1 1 MET HG2 H 1 2.397 0.001 . . . . . A 1 MET HG2 . 25083 1
5 . 1 1 1 1 MET HG3 H 1 2.461 0.011 . . . . . A 1 MET HG3 . 25083 1
6 . 1 1 1 1 MET C C 13 175.711 0.000 . . . . . A 1 MET C . 25083 1
7 . 1 1 1 1 MET CA C 13 56.209 0.078 . . . . . A 1 MET CA . 25083 1
8 . 1 1 1 1 MET CB C 13 33.646 0.000 . . . . . A 1 MET CB . 25083 1
9 . 1 1 1 1 MET CG C 13 33.004 0.030 . . . . . A 1 MET CG . 25083 1
10 . 1 1 1 1 MET CE C 13 20.377 0.000 . . . . . A 1 MET CE . 25083 1
11 . 1 1 1 1 MET N N 15 121.766 0.008 . . . . . A 1 MET N . 25083 1
12 . 1 1 2 2 ASP H H 1 8.218 0.010 . . . . . A 2 ASP H . 25083 1
13 . 1 1 2 2 ASP HA H 1 4.494 0.004 . . . . . A 2 ASP HA . 25083 1
14 . 1 1 2 2 ASP HB2 H 1 2.520 0.000 . . . . . A 2 ASP HB2 . 25083 1
15 . 1 1 2 2 ASP HB3 H 1 2.497 0.017 . . . . . A 2 ASP HB3 . 25083 1
16 . 1 1 2 2 ASP C C 13 175.099 0.000 . . . . . A 2 ASP C . 25083 1
17 . 1 1 2 2 ASP CA C 13 55.657 0.100 . . . . . A 2 ASP CA . 25083 1
18 . 1 1 2 2 ASP CB C 13 42.135 0.008 . . . . . A 2 ASP CB . 25083 1
19 . 1 1 2 2 ASP N N 15 122.189 0.034 . . . . . A 2 ASP N . 25083 1
20 . 1 1 3 3 ARG H H 1 7.838 0.013 . . . . . A 3 ARG H . 25083 1
21 . 1 1 3 3 ARG HA H 1 4.932 0.011 . . . . . A 3 ARG HA . 25083 1
22 . 1 1 3 3 ARG HB2 H 1 1.406 0.010 . . . . . A 3 ARG HB2 . 25083 1
23 . 1 1 3 3 ARG HB3 H 1 1.218 0.008 . . . . . A 3 ARG HB3 . 25083 1
24 . 1 1 3 3 ARG HD2 H 1 2.924 0.010 . . . . . A 3 ARG HD2 . 25083 1
25 . 1 1 3 3 ARG C C 13 174.804 0.000 . . . . . A 3 ARG C . 25083 1
26 . 1 1 3 3 ARG CA C 13 55.861 0.075 . . . . . A 3 ARG CA . 25083 1
27 . 1 1 3 3 ARG CB C 13 33.630 0.063 . . . . . A 3 ARG CB . 25083 1
28 . 1 1 3 3 ARG CG C 13 27.992 0.000 . . . . . A 3 ARG CG . 25083 1
29 . 1 1 3 3 ARG CD C 13 44.656 0.063 . . . . . A 3 ARG CD . 25083 1
30 . 1 1 3 3 ARG N N 15 120.475 0.050 . . . . . A 3 ARG N . 25083 1
31 . 1 1 4 4 ILE H H 1 8.539 0.008 . . . . . A 4 ILE H . 25083 1
32 . 1 1 4 4 ILE HA H 1 4.051 0.008 . . . . . A 4 ILE HA . 25083 1
33 . 1 1 4 4 ILE HB H 1 1.366 0.012 . . . . . A 4 ILE HB . 25083 1
34 . 1 1 4 4 ILE HG12 H 1 0.743 0.000 . . . . . A 4 ILE HG12 . 25083 1
35 . 1 1 4 4 ILE HG13 H 1 1.077 0.006 . . . . . A 4 ILE HG13 . 25083 1
36 . 1 1 4 4 ILE HG21 H 1 0.619 0.009 . . . . . A 4 ILE HG21 . 25083 1
37 . 1 1 4 4 ILE HG22 H 1 0.619 0.009 . . . . . A 4 ILE HG22 . 25083 1
38 . 1 1 4 4 ILE HG23 H 1 0.619 0.009 . . . . . A 4 ILE HG23 . 25083 1
39 . 1 1 4 4 ILE HD11 H 1 0.519 0.007 . . . . . A 4 ILE HD11 . 25083 1
40 . 1 1 4 4 ILE HD12 H 1 0.519 0.007 . . . . . A 4 ILE HD12 . 25083 1
41 . 1 1 4 4 ILE HD13 H 1 0.519 0.007 . . . . . A 4 ILE HD13 . 25083 1
42 . 1 1 4 4 ILE C C 13 173.430 0.000 . . . . . A 4 ILE C . 25083 1
43 . 1 1 4 4 ILE CA C 13 61.046 0.112 . . . . . A 4 ILE CA . 25083 1
44 . 1 1 4 4 ILE CB C 13 41.867 0.079 . . . . . A 4 ILE CB . 25083 1
45 . 1 1 4 4 ILE CG1 C 13 27.965 0.020 . . . . . A 4 ILE CG1 . 25083 1
46 . 1 1 4 4 ILE CG2 C 13 18.985 0.064 . . . . . A 4 ILE CG2 . 25083 1
47 . 1 1 4 4 ILE CD1 C 13 14.012 0.034 . . . . . A 4 ILE CD1 . 25083 1
48 . 1 1 4 4 ILE N N 15 123.910 0.027 . . . . . A 4 ILE N . 25083 1
49 . 1 1 5 5 PHE H H 1 8.394 0.015 . . . . . A 5 PHE H . 25083 1
50 . 1 1 5 5 PHE HA H 1 5.185 0.010 . . . . . A 5 PHE HA . 25083 1
51 . 1 1 5 5 PHE HB3 H 1 2.765 0.007 . . . . . A 5 PHE HB3 . 25083 1
52 . 1 1 5 5 PHE HD1 H 1 7.012 0.000 . . . . . A 5 PHE HD1 . 25083 1
53 . 1 1 5 5 PHE HD2 H 1 7.012 0.000 . . . . . A 5 PHE HD2 . 25083 1
54 . 1 1 5 5 PHE HE1 H 1 7.146 0.002 . . . . . A 5 PHE HE1 . 25083 1
55 . 1 1 5 5 PHE HE2 H 1 7.146 0.002 . . . . . A 5 PHE HE2 . 25083 1
56 . 1 1 5 5 PHE C C 13 175.923 0.000 . . . . . A 5 PHE C . 25083 1
57 . 1 1 5 5 PHE CA C 13 57.678 0.049 . . . . . A 5 PHE CA . 25083 1
58 . 1 1 5 5 PHE CB C 13 40.666 0.108 . . . . . A 5 PHE CB . 25083 1
59 . 1 1 5 5 PHE CD1 C 13 132.570 0.000 . . . . . A 5 PHE CD1 . 25083 1
60 . 1 1 5 5 PHE CD2 C 13 132.570 0.000 . . . . . A 5 PHE CD2 . 25083 1
61 . 1 1 5 5 PHE CE1 C 13 130.970 0.000 . . . . . A 5 PHE CE1 . 25083 1
62 . 1 1 5 5 PHE CE2 C 13 130.970 0.000 . . . . . A 5 PHE CE2 . 25083 1
63 . 1 1 5 5 PHE N N 15 125.181 0.012 . . . . . A 5 PHE N . 25083 1
64 . 1 1 6 6 MET H H 1 8.993 0.007 . . . . . A 6 MET H . 25083 1
65 . 1 1 6 6 MET HA H 1 4.838 0.007 . . . . . A 6 MET HA . 25083 1
66 . 1 1 6 6 MET HB2 H 1 2.143 0.010 . . . . . A 6 MET HB2 . 25083 1
67 . 1 1 6 6 MET HB3 H 1 1.447 0.007 . . . . . A 6 MET HB3 . 25083 1
68 . 1 1 6 6 MET HG3 H 1 2.361 0.000 . . . . . A 6 MET HG3 . 25083 1
69 . 1 1 6 6 MET C C 13 175.218 0.000 . . . . . A 6 MET C . 25083 1
70 . 1 1 6 6 MET CA C 13 56.274 0.128 . . . . . A 6 MET CA . 25083 1
71 . 1 1 6 6 MET CB C 13 38.742 0.063 . . . . . A 6 MET CB . 25083 1
72 . 1 1 6 6 MET CG C 13 34.579 0.000 . . . . . A 6 MET CG . 25083 1
73 . 1 1 6 6 MET N N 15 122.786 0.021 . . . . . A 6 MET N . 25083 1
74 . 1 1 7 7 THR H H 1 8.453 0.008 . . . . . A 7 THR H . 25083 1
75 . 1 1 7 7 THR HA H 1 4.503 0.010 . . . . . A 7 THR HA . 25083 1
76 . 1 1 7 7 THR HB H 1 4.848 0.008 . . . . . A 7 THR HB . 25083 1
77 . 1 1 7 7 THR HG21 H 1 1.166 0.007 . . . . . A 7 THR HG21 . 25083 1
78 . 1 1 7 7 THR HG22 H 1 1.166 0.007 . . . . . A 7 THR HG22 . 25083 1
79 . 1 1 7 7 THR HG23 H 1 1.166 0.007 . . . . . A 7 THR HG23 . 25083 1
80 . 1 1 7 7 THR C C 13 175.386 0.000 . . . . . A 7 THR C . 25083 1
81 . 1 1 7 7 THR CA C 13 62.336 0.092 . . . . . A 7 THR CA . 25083 1
82 . 1 1 7 7 THR CB C 13 71.427 0.024 . . . . . A 7 THR CB . 25083 1
83 . 1 1 7 7 THR CG2 C 13 23.024 0.068 . . . . . A 7 THR CG2 . 25083 1
84 . 1 1 7 7 THR N N 15 111.127 0.024 . . . . . A 7 THR N . 25083 1
85 . 1 1 8 8 ARG H H 1 10.335 0.008 . . . . . A 8 ARG H . 25083 1
86 . 1 1 8 8 ARG HA H 1 3.683 0.011 . . . . . A 8 ARG HA . 25083 1
87 . 1 1 8 8 ARG HB2 H 1 1.636 0.007 . . . . . A 8 ARG HB2 . 25083 1
88 . 1 1 8 8 ARG HB3 H 1 1.335 0.000 . . . . . A 8 ARG HB3 . 25083 1
89 . 1 1 8 8 ARG HG2 H 1 1.864 0.000 . . . . . A 8 ARG HG2 . 25083 1
90 . 1 1 8 8 ARG HG3 H 1 1.986 0.000 . . . . . A 8 ARG HG3 . 25083 1
91 . 1 1 8 8 ARG HD2 H 1 2.770 0.000 . . . . . A 8 ARG HD2 . 25083 1
92 . 1 1 8 8 ARG C C 13 178.775 0.000 . . . . . A 8 ARG C . 25083 1
93 . 1 1 8 8 ARG CA C 13 62.476 0.088 . . . . . A 8 ARG CA . 25083 1
94 . 1 1 8 8 ARG CB C 13 29.445 0.068 . . . . . A 8 ARG CB . 25083 1
95 . 1 1 8 8 ARG CD C 13 43.178 0.000 . . . . . A 8 ARG CD . 25083 1
96 . 1 1 8 8 ARG N N 15 125.425 0.024 . . . . . A 8 ARG N . 25083 1
97 . 1 1 9 9 THR H H 1 8.593 0.017 . . . . . A 9 THR H . 25083 1
98 . 1 1 9 9 THR HA H 1 3.858 0.008 . . . . . A 9 THR HA . 25083 1
99 . 1 1 9 9 THR HB H 1 4.011 0.007 . . . . . A 9 THR HB . 25083 1
100 . 1 1 9 9 THR HG21 H 1 1.184 0.009 . . . . . A 9 THR HG21 . 25083 1
101 . 1 1 9 9 THR HG22 H 1 1.184 0.009 . . . . . A 9 THR HG22 . 25083 1
102 . 1 1 9 9 THR HG23 H 1 1.184 0.009 . . . . . A 9 THR HG23 . 25083 1
103 . 1 1 9 9 THR C C 13 177.415 0.000 . . . . . A 9 THR C . 25083 1
104 . 1 1 9 9 THR CA C 13 67.592 0.069 . . . . . A 9 THR CA . 25083 1
105 . 1 1 9 9 THR CB C 13 69.686 0.077 . . . . . A 9 THR CB . 25083 1
106 . 1 1 9 9 THR CG2 C 13 23.042 0.032 . . . . . A 9 THR CG2 . 25083 1
107 . 1 1 9 9 THR N N 15 112.730 0.062 . . . . . A 9 THR N . 25083 1
108 . 1 1 10 10 GLU H H 1 7.525 0.008 . . . . . A 10 GLU H . 25083 1
109 . 1 1 10 10 GLU HA H 1 3.963 0.009 . . . . . A 10 GLU HA . 25083 1
110 . 1 1 10 10 GLU HB2 H 1 2.265 0.009 . . . . . A 10 GLU HB2 . 25083 1
111 . 1 1 10 10 GLU HB3 H 1 2.026 0.007 . . . . . A 10 GLU HB3 . 25083 1
112 . 1 1 10 10 GLU HG3 H 1 2.625 0.000 . . . . . A 10 GLU HG3 . 25083 1
113 . 1 1 10 10 GLU C C 13 179.469 0.000 . . . . . A 10 GLU C . 25083 1
114 . 1 1 10 10 GLU CA C 13 60.220 0.090 . . . . . A 10 GLU CA . 25083 1
115 . 1 1 10 10 GLU CB C 13 31.000 0.094 . . . . . A 10 GLU CB . 25083 1
116 . 1 1 10 10 GLU CG C 13 38.043 0.000 . . . . . A 10 GLU CG . 25083 1
117 . 1 1 10 10 GLU N N 15 123.047 0.016 . . . . . A 10 GLU N . 25083 1
118 . 1 1 11 11 ALA H H 1 9.193 0.009 . . . . . A 11 ALA H . 25083 1
119 . 1 1 11 11 ALA HA H 1 4.418 0.009 . . . . . A 11 ALA HA . 25083 1
120 . 1 1 11 11 ALA HB1 H 1 1.477 0.006 . . . . . A 11 ALA HB1 . 25083 1
121 . 1 1 11 11 ALA HB2 H 1 1.477 0.006 . . . . . A 11 ALA HB2 . 25083 1
122 . 1 1 11 11 ALA HB3 H 1 1.477 0.006 . . . . . A 11 ALA HB3 . 25083 1
123 . 1 1 11 11 ALA C C 13 179.728 0.000 . . . . . A 11 ALA C . 25083 1
124 . 1 1 11 11 ALA CA C 13 56.186 0.051 . . . . . A 11 ALA CA . 25083 1
125 . 1 1 11 11 ALA CB C 13 19.514 0.066 . . . . . A 11 ALA CB . 25083 1
126 . 1 1 11 11 ALA N N 15 124.362 0.025 . . . . . A 11 ALA N . 25083 1
127 . 1 1 12 12 LEU H H 1 8.399 0.007 . . . . . A 12 LEU H . 25083 1
128 . 1 1 12 12 LEU HA H 1 3.983 0.009 . . . . . A 12 LEU HA . 25083 1
129 . 1 1 12 12 LEU HB2 H 1 1.361 0.002 . . . . . A 12 LEU HB2 . 25083 1
130 . 1 1 12 12 LEU HB3 H 1 1.961 0.005 . . . . . A 12 LEU HB3 . 25083 1
131 . 1 1 12 12 LEU HG H 1 1.796 0.000 . . . . . A 12 LEU HG . 25083 1
132 . 1 1 12 12 LEU HD11 H 1 0.793 0.008 . . . . . A 12 LEU HD11 . 25083 1
133 . 1 1 12 12 LEU HD12 H 1 0.793 0.008 . . . . . A 12 LEU HD12 . 25083 1
134 . 1 1 12 12 LEU HD13 H 1 0.793 0.008 . . . . . A 12 LEU HD13 . 25083 1
135 . 1 1 12 12 LEU HD21 H 1 0.775 0.000 . . . . . A 12 LEU HD21 . 25083 1
136 . 1 1 12 12 LEU HD22 H 1 0.775 0.000 . . . . . A 12 LEU HD22 . 25083 1
137 . 1 1 12 12 LEU HD23 H 1 0.775 0.000 . . . . . A 12 LEU HD23 . 25083 1
138 . 1 1 12 12 LEU C C 13 179.027 0.000 . . . . . A 12 LEU C . 25083 1
139 . 1 1 12 12 LEU CA C 13 59.327 0.039 . . . . . A 12 LEU CA . 25083 1
140 . 1 1 12 12 LEU CB C 13 42.132 0.097 . . . . . A 12 LEU CB . 25083 1
141 . 1 1 12 12 LEU CG C 13 27.968 0.000 . . . . . A 12 LEU CG . 25083 1
142 . 1 1 12 12 LEU CD1 C 13 26.941 0.017 . . . . . A 12 LEU CD1 . 25083 1
143 . 1 1 12 12 LEU CD2 C 13 25.650 0.068 . . . . . A 12 LEU CD2 . 25083 1
144 . 1 1 12 12 LEU N N 15 118.555 0.014 . . . . . A 12 LEU N . 25083 1
145 . 1 1 13 13 GLU H H 1 7.817 0.009 . . . . . A 13 GLU H . 25083 1
146 . 1 1 13 13 GLU HA H 1 3.972 0.007 . . . . . A 13 GLU HA . 25083 1
147 . 1 1 13 13 GLU HB2 H 1 2.093 0.005 . . . . . A 13 GLU HB2 . 25083 1
148 . 1 1 13 13 GLU HB3 H 1 2.189 0.000 . . . . . A 13 GLU HB3 . 25083 1
149 . 1 1 13 13 GLU HG3 H 1 2.377 0.000 . . . . . A 13 GLU HG3 . 25083 1
150 . 1 1 13 13 GLU C C 13 178.938 0.000 . . . . . A 13 GLU C . 25083 1
151 . 1 1 13 13 GLU CA C 13 60.895 0.090 . . . . . A 13 GLU CA . 25083 1
152 . 1 1 13 13 GLU CB C 13 30.135 0.054 . . . . . A 13 GLU CB . 25083 1
153 . 1 1 13 13 GLU CG C 13 37.375 0.000 . . . . . A 13 GLU CG . 25083 1
154 . 1 1 13 13 GLU N N 15 119.923 0.026 . . . . . A 13 GLU N . 25083 1
155 . 1 1 14 14 PHE H H 1 8.423 0.008 . . . . . A 14 PHE H . 25083 1
156 . 1 1 14 14 PHE HA H 1 4.161 0.008 . . . . . A 14 PHE HA . 25083 1
157 . 1 1 14 14 PHE HB2 H 1 3.184 0.003 . . . . . A 14 PHE HB2 . 25083 1
158 . 1 1 14 14 PHE HB3 H 1 3.445 0.009 . . . . . A 14 PHE HB3 . 25083 1
159 . 1 1 14 14 PHE HD1 H 1 7.157 0.006 . . . . . A 14 PHE HD1 . 25083 1
160 . 1 1 14 14 PHE HD2 H 1 7.157 0.006 . . . . . A 14 PHE HD2 . 25083 1
161 . 1 1 14 14 PHE HE1 H 1 7.238 0.001 . . . . . A 14 PHE HE1 . 25083 1
162 . 1 1 14 14 PHE HE2 H 1 7.238 0.001 . . . . . A 14 PHE HE2 . 25083 1
163 . 1 1 14 14 PHE C C 13 178.613 0.000 . . . . . A 14 PHE C . 25083 1
164 . 1 1 14 14 PHE CA C 13 62.593 0.058 . . . . . A 14 PHE CA . 25083 1
165 . 1 1 14 14 PHE CB C 13 40.280 0.113 . . . . . A 14 PHE CB . 25083 1
166 . 1 1 14 14 PHE CD1 C 13 132.699 0.000 . . . . . A 14 PHE CD1 . 25083 1
167 . 1 1 14 14 PHE CD2 C 13 132.699 0.000 . . . . . A 14 PHE CD2 . 25083 1
168 . 1 1 14 14 PHE CE1 C 13 131.353 0.000 . . . . . A 14 PHE CE1 . 25083 1
169 . 1 1 14 14 PHE CE2 C 13 131.353 0.000 . . . . . A 14 PHE CE2 . 25083 1
170 . 1 1 14 14 PHE N N 15 121.591 0.023 . . . . . A 14 PHE N . 25083 1
171 . 1 1 15 15 LEU H H 1 8.662 0.008 . . . . . A 15 LEU H . 25083 1
172 . 1 1 15 15 LEU HA H 1 3.809 0.008 . . . . . A 15 LEU HA . 25083 1
173 . 1 1 15 15 LEU HB2 H 1 1.077 0.001 . . . . . A 15 LEU HB2 . 25083 1
174 . 1 1 15 15 LEU HB3 H 1 2.056 0.006 . . . . . A 15 LEU HB3 . 25083 1
175 . 1 1 15 15 LEU HG H 1 1.783 0.000 . . . . . A 15 LEU HG . 25083 1
176 . 1 1 15 15 LEU HD11 H 1 0.230 0.010 . . . . . A 15 LEU HD11 . 25083 1
177 . 1 1 15 15 LEU HD12 H 1 0.230 0.010 . . . . . A 15 LEU HD12 . 25083 1
178 . 1 1 15 15 LEU HD13 H 1 0.230 0.010 . . . . . A 15 LEU HD13 . 25083 1
179 . 1 1 15 15 LEU HD21 H 1 0.542 0.000 . . . . . A 15 LEU HD21 . 25083 1
180 . 1 1 15 15 LEU HD22 H 1 0.542 0.000 . . . . . A 15 LEU HD22 . 25083 1
181 . 1 1 15 15 LEU HD23 H 1 0.542 0.000 . . . . . A 15 LEU HD23 . 25083 1
182 . 1 1 15 15 LEU C C 13 178.742 0.000 . . . . . A 15 LEU C . 25083 1
183 . 1 1 15 15 LEU CA C 13 58.732 0.068 . . . . . A 15 LEU CA . 25083 1
184 . 1 1 15 15 LEU CB C 13 44.167 0.027 . . . . . A 15 LEU CB . 25083 1
185 . 1 1 15 15 LEU CG C 13 27.814 0.000 . . . . . A 15 LEU CG . 25083 1
186 . 1 1 15 15 LEU CD1 C 13 26.706 0.057 . . . . . A 15 LEU CD1 . 25083 1
187 . 1 1 15 15 LEU CD2 C 13 25.026 0.000 . . . . . A 15 LEU CD2 . 25083 1
188 . 1 1 15 15 LEU N N 15 121.569 0.021 . . . . . A 15 LEU N . 25083 1
189 . 1 1 16 16 LEU H H 1 8.609 0.009 . . . . . A 16 LEU H . 25083 1
190 . 1 1 16 16 LEU HA H 1 3.950 0.010 . . . . . A 16 LEU HA . 25083 1
191 . 1 1 16 16 LEU HB2 H 1 1.565 0.004 . . . . . A 16 LEU HB2 . 25083 1
192 . 1 1 16 16 LEU HB3 H 1 1.772 0.008 . . . . . A 16 LEU HB3 . 25083 1
193 . 1 1 16 16 LEU HG H 1 1.325 0.000 . . . . . A 16 LEU HG . 25083 1
194 . 1 1 16 16 LEU HD11 H 1 0.771 0.002 . . . . . A 16 LEU HD11 . 25083 1
195 . 1 1 16 16 LEU HD12 H 1 0.771 0.002 . . . . . A 16 LEU HD12 . 25083 1
196 . 1 1 16 16 LEU HD13 H 1 0.771 0.002 . . . . . A 16 LEU HD13 . 25083 1
197 . 1 1 16 16 LEU C C 13 180.193 0.000 . . . . . A 16 LEU C . 25083 1
198 . 1 1 16 16 LEU CA C 13 59.378 0.060 . . . . . A 16 LEU CA . 25083 1
199 . 1 1 16 16 LEU CB C 13 42.569 0.081 . . . . . A 16 LEU CB . 25083 1
200 . 1 1 16 16 LEU CD1 C 13 25.511 0.055 . . . . . A 16 LEU CD1 . 25083 1
201 . 1 1 16 16 LEU CD2 C 13 27.899 0.000 . . . . . A 16 LEU CD2 . 25083 1
202 . 1 1 16 16 LEU N N 15 122.108 0.044 . . . . . A 16 LEU N . 25083 1
203 . 1 1 17 17 LYS H H 1 7.861 0.008 . . . . . A 17 LYS H . 25083 1
204 . 1 1 17 17 LYS HA H 1 4.026 0.006 . . . . . A 17 LYS HA . 25083 1
205 . 1 1 17 17 LYS HB3 H 1 1.763 0.004 . . . . . A 17 LYS HB3 . 25083 1
206 . 1 1 17 17 LYS HG2 H 1 1.312 0.000 . . . . . A 17 LYS HG2 . 25083 1
207 . 1 1 17 17 LYS HG3 H 1 1.453 0.003 . . . . . A 17 LYS HG3 . 25083 1
208 . 1 1 17 17 LYS HD3 H 1 1.605 0.000 . . . . . A 17 LYS HD3 . 25083 1
209 . 1 1 17 17 LYS HE3 H 1 2.856 0.000 . . . . . A 17 LYS HE3 . 25083 1
210 . 1 1 17 17 LYS C C 13 179.272 0.000 . . . . . A 17 LYS C . 25083 1
211 . 1 1 17 17 LYS CA C 13 60.172 0.038 . . . . . A 17 LYS CA . 25083 1
212 . 1 1 17 17 LYS CB C 13 32.723 0.054 . . . . . A 17 LYS CB . 25083 1
213 . 1 1 17 17 LYS CG C 13 26.168 0.021 . . . . . A 17 LYS CG . 25083 1
214 . 1 1 17 17 LYS CD C 13 30.087 0.000 . . . . . A 17 LYS CD . 25083 1
215 . 1 1 17 17 LYS CE C 13 43.203 0.000 . . . . . A 17 LYS CE . 25083 1
216 . 1 1 17 17 LYS N N 15 120.324 0.056 . . . . . A 17 LYS N . 25083 1
217 . 1 1 18 18 ALA H H 1 7.994 0.009 . . . . . A 18 ALA H . 25083 1
218 . 1 1 18 18 ALA HA H 1 3.853 0.007 . . . . . A 18 ALA HA . 25083 1
219 . 1 1 18 18 ALA HB1 H 1 1.191 0.007 . . . . . A 18 ALA HB1 . 25083 1
220 . 1 1 18 18 ALA HB2 H 1 1.191 0.007 . . . . . A 18 ALA HB2 . 25083 1
221 . 1 1 18 18 ALA HB3 H 1 1.191 0.007 . . . . . A 18 ALA HB3 . 25083 1
222 . 1 1 18 18 ALA C C 13 180.336 0.000 . . . . . A 18 ALA C . 25083 1
223 . 1 1 18 18 ALA CA C 13 56.032 0.040 . . . . . A 18 ALA CA . 25083 1
224 . 1 1 18 18 ALA CB C 13 18.297 0.077 . . . . . A 18 ALA CB . 25083 1
225 . 1 1 18 18 ALA N N 15 123.672 0.055 . . . . . A 18 ALA N . 25083 1
226 . 1 1 19 19 HIS H H 1 8.811 0.007 . . . . . A 19 HIS H . 25083 1
227 . 1 1 19 19 HIS HA H 1 3.840 0.007 . . . . . A 19 HIS HA . 25083 1
228 . 1 1 19 19 HIS HB2 H 1 3.284 0.011 . . . . . A 19 HIS HB2 . 25083 1
229 . 1 1 19 19 HIS HB3 H 1 2.940 0.006 . . . . . A 19 HIS HB3 . 25083 1
230 . 1 1 19 19 HIS HD2 H 1 6.705 0.001 . . . . . A 19 HIS HD2 . 25083 1
231 . 1 1 19 19 HIS C C 13 175.709 0.000 . . . . . A 19 HIS C . 25083 1
232 . 1 1 19 19 HIS CA C 13 62.378 0.070 . . . . . A 19 HIS CA . 25083 1
233 . 1 1 19 19 HIS CB C 13 31.259 0.075 . . . . . A 19 HIS CB . 25083 1
234 . 1 1 19 19 HIS CD2 C 13 118.776 0.000 . . . . . A 19 HIS CD2 . 25083 1
235 . 1 1 19 19 HIS N N 15 120.952 0.049 . . . . . A 19 HIS N . 25083 1
236 . 1 1 20 20 GLN H H 1 8.289 0.010 . . . . . A 20 GLN H . 25083 1
237 . 1 1 20 20 GLN HA H 1 3.799 0.011 . . . . . A 20 GLN HA . 25083 1
238 . 1 1 20 20 GLN HB2 H 1 2.069 0.009 . . . . . A 20 GLN HB2 . 25083 1
239 . 1 1 20 20 GLN HB3 H 1 2.259 0.019 . . . . . A 20 GLN HB3 . 25083 1
240 . 1 1 20 20 GLN HG2 H 1 2.364 0.000 . . . . . A 20 GLN HG2 . 25083 1
241 . 1 1 20 20 GLN HG3 H 1 2.291 0.000 . . . . . A 20 GLN HG3 . 25083 1
242 . 1 1 20 20 GLN HE21 H 1 6.739 0.005 . . . . . A 20 GLN HE21 . 25083 1
243 . 1 1 20 20 GLN HE22 H 1 7.723 0.007 . . . . . A 20 GLN HE22 . 25083 1
244 . 1 1 20 20 GLN C C 13 178.232 0.000 . . . . . A 20 GLN C . 25083 1
245 . 1 1 20 20 GLN CA C 13 59.717 0.041 . . . . . A 20 GLN CA . 25083 1
246 . 1 1 20 20 GLN CB C 13 29.138 0.088 . . . . . A 20 GLN CB . 25083 1
247 . 1 1 20 20 GLN CG C 13 34.656 0.080 . . . . . A 20 GLN CG . 25083 1
248 . 1 1 20 20 GLN CD C 13 180.535 0.000 . . . . . A 20 GLN CD . 25083 1
249 . 1 1 20 20 GLN N N 15 119.012 0.059 . . . . . A 20 GLN N . 25083 1
250 . 1 1 20 20 GLN NE2 N 15 114.290 0.105 . . . . . A 20 GLN NE2 . 25083 1
251 . 1 1 21 21 THR H H 1 8.210 0.014 . . . . . A 21 THR H . 25083 1
252 . 1 1 21 21 THR HA H 1 3.805 0.012 . . . . . A 21 THR HA . 25083 1
253 . 1 1 21 21 THR HB H 1 4.066 0.007 . . . . . A 21 THR HB . 25083 1
254 . 1 1 21 21 THR HG21 H 1 1.110 0.006 . . . . . A 21 THR HG21 . 25083 1
255 . 1 1 21 21 THR HG22 H 1 1.110 0.006 . . . . . A 21 THR HG22 . 25083 1
256 . 1 1 21 21 THR HG23 H 1 1.110 0.006 . . . . . A 21 THR HG23 . 25083 1
257 . 1 1 21 21 THR C C 13 175.931 0.000 . . . . . A 21 THR C . 25083 1
258 . 1 1 21 21 THR CA C 13 67.520 0.077 . . . . . A 21 THR CA . 25083 1
259 . 1 1 21 21 THR CB C 13 69.868 0.069 . . . . . A 21 THR CB . 25083 1
260 . 1 1 21 21 THR CG2 C 13 22.484 0.045 . . . . . A 21 THR CG2 . 25083 1
261 . 1 1 21 21 THR N N 15 115.309 0.064 . . . . . A 21 THR N . 25083 1
262 . 1 1 22 22 ALA H H 1 7.609 0.009 . . . . . A 22 ALA H . 25083 1
263 . 1 1 22 22 ALA HA H 1 3.902 0.008 . . . . . A 22 ALA HA . 25083 1
264 . 1 1 22 22 ALA HB1 H 1 1.199 0.006 . . . . . A 22 ALA HB1 . 25083 1
265 . 1 1 22 22 ALA HB2 H 1 1.199 0.006 . . . . . A 22 ALA HB2 . 25083 1
266 . 1 1 22 22 ALA HB3 H 1 1.199 0.006 . . . . . A 22 ALA HB3 . 25083 1
267 . 1 1 22 22 ALA C C 13 179.849 0.000 . . . . . A 22 ALA C . 25083 1
268 . 1 1 22 22 ALA CA C 13 56.226 0.080 . . . . . A 22 ALA CA . 25083 1
269 . 1 1 22 22 ALA CB C 13 19.040 0.079 . . . . . A 22 ALA CB . 25083 1
270 . 1 1 22 22 ALA N N 15 124.244 0.045 . . . . . A 22 ALA N . 25083 1
271 . 1 1 23 23 VAL H H 1 8.171 0.008 . . . . . A 23 VAL H . 25083 1
272 . 1 1 23 23 VAL HA H 1 3.399 0.007 . . . . . A 23 VAL HA . 25083 1
273 . 1 1 23 23 VAL HB H 1 1.904 0.010 . . . . . A 23 VAL HB . 25083 1
274 . 1 1 23 23 VAL HG11 H 1 0.739 0.006 . . . . . A 23 VAL HG11 . 25083 1
275 . 1 1 23 23 VAL HG12 H 1 0.739 0.006 . . . . . A 23 VAL HG12 . 25083 1
276 . 1 1 23 23 VAL HG13 H 1 0.739 0.006 . . . . . A 23 VAL HG13 . 25083 1
277 . 1 1 23 23 VAL HG21 H 1 0.657 0.007 . . . . . A 23 VAL HG21 . 25083 1
278 . 1 1 23 23 VAL HG22 H 1 0.657 0.007 . . . . . A 23 VAL HG22 . 25083 1
279 . 1 1 23 23 VAL HG23 H 1 0.657 0.007 . . . . . A 23 VAL HG23 . 25083 1
280 . 1 1 23 23 VAL C C 13 179.122 0.000 . . . . . A 23 VAL C . 25083 1
281 . 1 1 23 23 VAL CA C 13 67.020 0.092 . . . . . A 23 VAL CA . 25083 1
282 . 1 1 23 23 VAL CB C 13 32.587 0.039 . . . . . A 23 VAL CB . 25083 1
283 . 1 1 23 23 VAL CG1 C 13 22.292 0.034 . . . . . A 23 VAL CG1 . 25083 1
284 . 1 1 23 23 VAL CG2 C 13 23.459 0.059 . . . . . A 23 VAL CG2 . 25083 1
285 . 1 1 23 23 VAL N N 15 118.714 0.046 . . . . . A 23 VAL N . 25083 1
286 . 1 1 24 24 ASP H H 1 8.283 0.013 . . . . . A 24 ASP H . 25083 1
287 . 1 1 24 24 ASP HA H 1 4.258 0.006 . . . . . A 24 ASP HA . 25083 1
288 . 1 1 24 24 ASP HB2 H 1 2.519 0.006 . . . . . A 24 ASP HB2 . 25083 1
289 . 1 1 24 24 ASP HB3 H 1 2.698 0.007 . . . . . A 24 ASP HB3 . 25083 1
290 . 1 1 24 24 ASP C C 13 178.753 0.000 . . . . . A 24 ASP C . 25083 1
291 . 1 1 24 24 ASP CA C 13 57.817 0.004 . . . . . A 24 ASP CA . 25083 1
292 . 1 1 24 24 ASP CB C 13 41.298 0.039 . . . . . A 24 ASP CB . 25083 1
293 . 1 1 24 24 ASP N N 15 121.061 0.014 . . . . . A 24 ASP N . 25083 1
294 . 1 1 25 25 LYS H H 1 7.531 0.009 . . . . . A 25 LYS H . 25083 1
295 . 1 1 25 25 LYS HA H 1 3.809 0.006 . . . . . A 25 LYS HA . 25083 1
296 . 1 1 25 25 LYS HB3 H 1 1.648 0.003 . . . . . A 25 LYS HB3 . 25083 1
297 . 1 1 25 25 LYS HG2 H 1 1.048 0.003 . . . . . A 25 LYS HG2 . 25083 1
298 . 1 1 25 25 LYS HG3 H 1 1.302 0.006 . . . . . A 25 LYS HG3 . 25083 1
299 . 1 1 25 25 LYS HD3 H 1 1.436 0.000 . . . . . A 25 LYS HD3 . 25083 1
300 . 1 1 25 25 LYS HE3 H 1 2.747 0.000 . . . . . A 25 LYS HE3 . 25083 1
301 . 1 1 25 25 LYS C C 13 178.411 0.000 . . . . . A 25 LYS C . 25083 1
302 . 1 1 25 25 LYS CA C 13 59.902 0.027 . . . . . A 25 LYS CA . 25083 1
303 . 1 1 25 25 LYS CB C 13 33.386 0.023 . . . . . A 25 LYS CB . 25083 1
304 . 1 1 25 25 LYS CG C 13 25.928 0.033 . . . . . A 25 LYS CG . 25083 1
305 . 1 1 25 25 LYS CD C 13 30.118 0.000 . . . . . A 25 LYS CD . 25083 1
306 . 1 1 25 25 LYS CE C 13 43.126 0.000 . . . . . A 25 LYS CE . 25083 1
307 . 1 1 25 25 LYS N N 15 118.834 0.106 . . . . . A 25 LYS N . 25083 1
308 . 1 1 26 26 ILE H H 1 7.295 0.010 . . . . . A 26 ILE H . 25083 1
309 . 1 1 26 26 ILE HA H 1 3.596 0.007 . . . . . A 26 ILE HA . 25083 1
310 . 1 1 26 26 ILE HB H 1 1.786 0.000 . . . . . A 26 ILE HB . 25083 1
311 . 1 1 26 26 ILE HG12 H 1 1.297 0.000 . . . . . A 26 ILE HG12 . 25083 1
312 . 1 1 26 26 ILE HG13 H 1 1.093 0.001 . . . . . A 26 ILE HG13 . 25083 1
313 . 1 1 26 26 ILE HG21 H 1 0.693 0.007 . . . . . A 26 ILE HG21 . 25083 1
314 . 1 1 26 26 ILE HG22 H 1 0.693 0.007 . . . . . A 26 ILE HG22 . 25083 1
315 . 1 1 26 26 ILE HG23 H 1 0.693 0.007 . . . . . A 26 ILE HG23 . 25083 1
316 . 1 1 26 26 ILE HD11 H 1 0.570 0.004 . . . . . A 26 ILE HD11 . 25083 1
317 . 1 1 26 26 ILE HD12 H 1 0.570 0.004 . . . . . A 26 ILE HD12 . 25083 1
318 . 1 1 26 26 ILE HD13 H 1 0.570 0.004 . . . . . A 26 ILE HD13 . 25083 1
319 . 1 1 26 26 ILE C C 13 176.646 0.000 . . . . . A 26 ILE C . 25083 1
320 . 1 1 26 26 ILE CA C 13 63.658 0.073 . . . . . A 26 ILE CA . 25083 1
321 . 1 1 26 26 ILE CB C 13 38.569 0.002 . . . . . A 26 ILE CB . 25083 1
322 . 1 1 26 26 ILE CG1 C 13 28.893 0.009 . . . . . A 26 ILE CG1 . 25083 1
323 . 1 1 26 26 ILE CG2 C 13 18.697 0.013 . . . . . A 26 ILE CG2 . 25083 1
324 . 1 1 26 26 ILE CD1 C 13 14.641 0.058 . . . . . A 26 ILE CD1 . 25083 1
325 . 1 1 26 26 ILE N N 15 114.061 0.038 . . . . . A 26 ILE N . 25083 1
326 . 1 1 27 27 GLY H H 1 7.692 0.012 . . . . . A 27 GLY H . 25083 1
327 . 1 1 27 27 GLY HA2 H 1 3.693 0.004 . . . . . A 27 GLY HA2 . 25083 1
328 . 1 1 27 27 GLY HA3 H 1 4.018 0.007 . . . . . A 27 GLY HA3 . 25083 1
329 . 1 1 27 27 GLY C C 13 173.928 0.006 . . . . . A 27 GLY C . 25083 1
330 . 1 1 27 27 GLY CA C 13 45.999 0.086 . . . . . A 27 GLY CA . 25083 1
331 . 1 1 27 27 GLY N N 15 107.687 0.078 . . . . . A 27 GLY N . 25083 1
332 . 1 1 28 28 HIS H H 1 7.429 0.015 . . . . . A 28 HIS H . 25083 1
333 . 1 1 28 28 HIS HA H 1 4.606 0.008 . . . . . A 28 HIS HA . 25083 1
334 . 1 1 28 28 HIS HB2 H 1 3.137 0.000 . . . . . A 28 HIS HB2 . 25083 1
335 . 1 1 28 28 HIS HB3 H 1 2.981 0.000 . . . . . A 28 HIS HB3 . 25083 1
336 . 1 1 28 28 HIS HD2 H 1 7.064 0.001 . . . . . A 28 HIS HD2 . 25083 1
337 . 1 1 28 28 HIS C C 13 175.599 0.000 . . . . . A 28 HIS C . 25083 1
338 . 1 1 28 28 HIS CA C 13 56.725 0.075 . . . . . A 28 HIS CA . 25083 1
339 . 1 1 28 28 HIS CB C 13 32.374 0.004 . . . . . A 28 HIS CB . 25083 1
340 . 1 1 28 28 HIS CD2 C 13 119.986 0.000 . . . . . A 28 HIS CD2 . 25083 1
341 . 1 1 28 28 HIS N N 15 123.237 0.034 . . . . . A 28 HIS N . 25083 1
342 . 1 1 29 29 PRO HA H 1 4.321 0.005 . . . . . A 29 PRO HA . 25083 1
343 . 1 1 29 29 PRO HB2 H 1 1.823 0.009 . . . . . A 29 PRO HB2 . 25083 1
344 . 1 1 29 29 PRO HB3 H 1 2.236 0.006 . . . . . A 29 PRO HB3 . 25083 1
345 . 1 1 29 29 PRO HD2 H 1 3.597 0.000 . . . . . A 29 PRO HD2 . 25083 1
346 . 1 1 29 29 PRO HD3 H 1 2.616 0.000 . . . . . A 29 PRO HD3 . 25083 1
347 . 1 1 29 29 PRO C C 13 177.714 0.000 . . . . . A 29 PRO C . 25083 1
348 . 1 1 29 29 PRO CA C 13 65.700 0.042 . . . . . A 29 PRO CA . 25083 1
349 . 1 1 29 29 PRO CB C 13 32.939 0.000 . . . . . A 29 PRO CB . 25083 1
350 . 1 1 29 29 PRO CG C 13 28.291 0.000 . . . . . A 29 PRO CG . 25083 1
351 . 1 1 29 29 PRO CD C 13 51.555 0.065 . . . . . A 29 PRO CD . 25083 1
352 . 1 1 30 30 SER H H 1 9.446 0.015 . . . . . A 30 SER H . 25083 1
353 . 1 1 30 30 SER HA H 1 4.404 0.009 . . . . . A 30 SER HA . 25083 1
354 . 1 1 30 30 SER HB3 H 1 3.936 0.006 . . . . . A 30 SER HB3 . 25083 1
355 . 1 1 30 30 SER C C 13 174.488 0.000 . . . . . A 30 SER C . 25083 1
356 . 1 1 30 30 SER CA C 13 60.088 0.073 . . . . . A 30 SER CA . 25083 1
357 . 1 1 30 30 SER CB C 13 64.612 0.092 . . . . . A 30 SER CB . 25083 1
358 . 1 1 30 30 SER N N 15 114.757 0.015 . . . . . A 30 SER N . 25083 1
359 . 1 1 31 31 HIS H H 1 8.196 0.008 . . . . . A 31 HIS H . 25083 1
360 . 1 1 31 31 HIS HA H 1 4.480 0.009 . . . . . A 31 HIS HA . 25083 1
361 . 1 1 31 31 HIS HB2 H 1 3.230 0.000 . . . . . A 31 HIS HB2 . 25083 1
362 . 1 1 31 31 HIS HB3 H 1 2.977 0.000 . . . . . A 31 HIS HB3 . 25083 1
363 . 1 1 31 31 HIS HD2 H 1 6.733 0.000 . . . . . A 31 HIS HD2 . 25083 1
364 . 1 1 31 31 HIS C C 13 174.667 0.000 . . . . . A 31 HIS C . 25083 1
365 . 1 1 31 31 HIS CA C 13 57.514 0.046 . . . . . A 31 HIS CA . 25083 1
366 . 1 1 31 31 HIS CB C 13 32.297 0.062 . . . . . A 31 HIS CB . 25083 1
367 . 1 1 31 31 HIS CD2 C 13 119.921 0.000 . . . . . A 31 HIS CD2 . 25083 1
368 . 1 1 31 31 HIS N N 15 122.872 0.015 . . . . . A 31 HIS N . 25083 1
369 . 1 1 32 32 LYS H H 1 7.867 0.016 . . . . . A 32 LYS H . 25083 1
370 . 1 1 32 32 LYS HA H 1 4.248 0.007 . . . . . A 32 LYS HA . 25083 1
371 . 1 1 32 32 LYS HB3 H 1 1.545 0.001 . . . . . A 32 LYS HB3 . 25083 1
372 . 1 1 32 32 LYS HG2 H 1 1.196 0.010 . . . . . A 32 LYS HG2 . 25083 1
373 . 1 1 32 32 LYS HG3 H 1 1.285 0.008 . . . . . A 32 LYS HG3 . 25083 1
374 . 1 1 32 32 LYS HE3 H 1 2.885 0.000 . . . . . A 32 LYS HE3 . 25083 1
375 . 1 1 32 32 LYS C C 13 175.133 0.000 . . . . . A 32 LYS C . 25083 1
376 . 1 1 32 32 LYS CA C 13 56.379 0.059 . . . . . A 32 LYS CA . 25083 1
377 . 1 1 32 32 LYS CB C 13 32.691 0.062 . . . . . A 32 LYS CB . 25083 1
378 . 1 1 32 32 LYS CG C 13 25.551 0.058 . . . . . A 32 LYS CG . 25083 1
379 . 1 1 32 32 LYS CD C 13 29.924 0.000 . . . . . A 32 LYS CD . 25083 1
380 . 1 1 32 32 LYS CE C 13 43.224 0.000 . . . . . A 32 LYS CE . 25083 1
381 . 1 1 32 32 LYS N N 15 126.801 0.124 . . . . . A 32 LYS N . 25083 1
382 . 1 1 33 33 GLN H H 1 8.386 0.021 . . . . . A 33 GLN H . 25083 1
383 . 1 1 33 33 GLN HA H 1 4.415 0.013 . . . . . A 33 GLN HA . 25083 1
384 . 1 1 33 33 GLN HB3 H 1 2.013 0.007 . . . . . A 33 GLN HB3 . 25083 1
385 . 1 1 33 33 GLN HG2 H 1 2.372 0.000 . . . . . A 33 GLN HG2 . 25083 1
386 . 1 1 33 33 GLN HG3 H 1 2.481 0.004 . . . . . A 33 GLN HG3 . 25083 1
387 . 1 1 33 33 GLN HE21 H 1 6.834 0.006 . . . . . A 33 GLN HE21 . 25083 1
388 . 1 1 33 33 GLN HE22 H 1 7.521 0.011 . . . . . A 33 GLN HE22 . 25083 1
389 . 1 1 33 33 GLN C C 13 176.440 0.000 . . . . . A 33 GLN C . 25083 1
390 . 1 1 33 33 GLN CA C 13 57.278 0.066 . . . . . A 33 GLN CA . 25083 1
391 . 1 1 33 33 GLN CB C 13 30.287 0.067 . . . . . A 33 GLN CB . 25083 1
392 . 1 1 33 33 GLN CG C 13 35.195 0.063 . . . . . A 33 GLN CG . 25083 1
393 . 1 1 33 33 GLN CD C 13 179.840 0.000 . . . . . A 33 GLN CD . 25083 1
394 . 1 1 33 33 GLN N N 15 123.525 0.077 . . . . . A 33 GLN N . 25083 1
395 . 1 1 33 33 GLN NE2 N 15 112.049 0.076 . . . . . A 33 GLN NE2 . 25083 1
396 . 1 1 34 34 THR H H 1 8.654 0.009 . . . . . A 34 THR H . 25083 1
397 . 1 1 34 34 THR HA H 1 4.849 0.002 . . . . . A 34 THR HA . 25083 1
398 . 1 1 34 34 THR HB H 1 4.485 0.005 . . . . . A 34 THR HB . 25083 1
399 . 1 1 34 34 THR HG21 H 1 1.199 0.001 . . . . . A 34 THR HG21 . 25083 1
400 . 1 1 34 34 THR HG22 H 1 1.199 0.001 . . . . . A 34 THR HG22 . 25083 1
401 . 1 1 34 34 THR HG23 H 1 1.199 0.001 . . . . . A 34 THR HG23 . 25083 1
402 . 1 1 34 34 THR C C 13 174.219 0.000 . . . . . A 34 THR C . 25083 1
403 . 1 1 34 34 THR CA C 13 60.488 0.056 . . . . . A 34 THR CA . 25083 1
404 . 1 1 34 34 THR CB C 13 71.054 0.042 . . . . . A 34 THR CB . 25083 1
405 . 1 1 34 34 THR CG2 C 13 23.213 0.000 . . . . . A 34 THR CG2 . 25083 1
406 . 1 1 34 34 THR N N 15 115.752 0.015 . . . . . A 34 THR N . 25083 1
407 . 1 1 35 35 PRO HA H 1 4.369 0.012 . . . . . A 35 PRO HA . 25083 1
408 . 1 1 35 35 PRO HB2 H 1 1.898 0.005 . . . . . A 35 PRO HB2 . 25083 1
409 . 1 1 35 35 PRO HB3 H 1 2.377 0.005 . . . . . A 35 PRO HB3 . 25083 1
410 . 1 1 35 35 PRO HD3 H 1 3.422 0.000 . . . . . A 35 PRO HD3 . 25083 1
411 . 1 1 35 35 PRO C C 13 178.878 0.000 . . . . . A 35 PRO C . 25083 1
412 . 1 1 35 35 PRO CA C 13 66.410 0.067 . . . . . A 35 PRO CA . 25083 1
413 . 1 1 35 35 PRO CB C 13 32.677 0.000 . . . . . A 35 PRO CB . 25083 1
414 . 1 1 35 35 PRO CG C 13 28.926 0.000 . . . . . A 35 PRO CG . 25083 1
415 . 1 1 36 36 ALA H H 1 7.902 0.013 . . . . . A 36 ALA H . 25083 1
416 . 1 1 36 36 ALA HA H 1 4.152 0.006 . . . . . A 36 ALA HA . 25083 1
417 . 1 1 36 36 ALA HB1 H 1 1.328 0.009 . . . . . A 36 ALA HB1 . 25083 1
418 . 1 1 36 36 ALA HB2 H 1 1.328 0.009 . . . . . A 36 ALA HB2 . 25083 1
419 . 1 1 36 36 ALA HB3 H 1 1.328 0.009 . . . . . A 36 ALA HB3 . 25083 1
420 . 1 1 36 36 ALA C C 13 180.166 0.000 . . . . . A 36 ALA C . 25083 1
421 . 1 1 36 36 ALA CA C 13 55.550 0.057 . . . . . A 36 ALA CA . 25083 1
422 . 1 1 36 36 ALA CB C 13 19.272 0.022 . . . . . A 36 ALA CB . 25083 1
423 . 1 1 36 36 ALA N N 15 119.974 0.038 . . . . . A 36 ALA N . 25083 1
424 . 1 1 37 37 ASP H H 1 7.869 0.006 . . . . . A 37 ASP H . 25083 1
425 . 1 1 37 37 ASP HA H 1 4.318 0.002 . . . . . A 37 ASP HA . 25083 1
426 . 1 1 37 37 ASP HB2 H 1 2.524 0.008 . . . . . A 37 ASP HB2 . 25083 1
427 . 1 1 37 37 ASP HB3 H 1 2.851 0.012 . . . . . A 37 ASP HB3 . 25083 1
428 . 1 1 37 37 ASP C C 13 178.393 0.000 . . . . . A 37 ASP C . 25083 1
429 . 1 1 37 37 ASP CA C 13 58.212 0.017 . . . . . A 37 ASP CA . 25083 1
430 . 1 1 37 37 ASP CB C 13 41.903 0.035 . . . . . A 37 ASP CB . 25083 1
431 . 1 1 37 37 ASP N N 15 120.231 0.013 . . . . . A 37 ASP N . 25083 1
432 . 1 1 38 38 HIS H H 1 7.506 0.008 . . . . . A 38 HIS H . 25083 1
433 . 1 1 38 38 HIS HA H 1 4.207 0.006 . . . . . A 38 HIS HA . 25083 1
434 . 1 1 38 38 HIS HB2 H 1 3.103 0.008 . . . . . A 38 HIS HB2 . 25083 1
435 . 1 1 38 38 HIS HD2 H 1 6.923 0.001 . . . . . A 38 HIS HD2 . 25083 1
436 . 1 1 38 38 HIS C C 13 177.979 0.000 . . . . . A 38 HIS C . 25083 1
437 . 1 1 38 38 HIS CA C 13 60.329 0.050 . . . . . A 38 HIS CA . 25083 1
438 . 1 1 38 38 HIS CB C 13 31.035 0.039 . . . . . A 38 HIS CB . 25083 1
439 . 1 1 38 38 HIS CD2 C 13 120.308 0.000 . . . . . A 38 HIS CD2 . 25083 1
440 . 1 1 38 38 HIS N N 15 118.518 0.051 . . . . . A 38 HIS N . 25083 1
441 . 1 1 39 39 ALA H H 1 8.082 0.008 . . . . . A 39 ALA H . 25083 1
442 . 1 1 39 39 ALA HA H 1 4.135 0.011 . . . . . A 39 ALA HA . 25083 1
443 . 1 1 39 39 ALA HB1 H 1 1.435 0.005 . . . . . A 39 ALA HB1 . 25083 1
444 . 1 1 39 39 ALA HB2 H 1 1.435 0.005 . . . . . A 39 ALA HB2 . 25083 1
445 . 1 1 39 39 ALA HB3 H 1 1.435 0.005 . . . . . A 39 ALA HB3 . 25083 1
446 . 1 1 39 39 ALA C C 13 180.318 0.000 . . . . . A 39 ALA C . 25083 1
447 . 1 1 39 39 ALA CA C 13 55.833 0.009 . . . . . A 39 ALA CA . 25083 1
448 . 1 1 39 39 ALA CB C 13 18.806 0.050 . . . . . A 39 ALA CB . 25083 1
449 . 1 1 39 39 ALA N N 15 122.280 0.018 . . . . . A 39 ALA N . 25083 1
450 . 1 1 40 40 ALA H H 1 7.849 0.008 . . . . . A 40 ALA H . 25083 1
451 . 1 1 40 40 ALA HA H 1 4.141 0.012 . . . . . A 40 ALA HA . 25083 1
452 . 1 1 40 40 ALA HB1 H 1 1.448 0.005 . . . . . A 40 ALA HB1 . 25083 1
453 . 1 1 40 40 ALA HB2 H 1 1.448 0.005 . . . . . A 40 ALA HB2 . 25083 1
454 . 1 1 40 40 ALA HB3 H 1 1.448 0.005 . . . . . A 40 ALA HB3 . 25083 1
455 . 1 1 40 40 ALA C C 13 180.544 0.000 . . . . . A 40 ALA C . 25083 1
456 . 1 1 40 40 ALA CA C 13 55.974 0.044 . . . . . A 40 ALA CA . 25083 1
457 . 1 1 40 40 ALA CB C 13 18.815 0.087 . . . . . A 40 ALA CB . 25083 1
458 . 1 1 40 40 ALA N N 15 121.387 0.018 . . . . . A 40 ALA N . 25083 1
459 . 1 1 41 41 ILE H H 1 7.309 0.011 . . . . . A 41 ILE H . 25083 1
460 . 1 1 41 41 ILE HA H 1 3.415 0.006 . . . . . A 41 ILE HA . 25083 1
461 . 1 1 41 41 ILE HB H 1 1.810 0.011 . . . . . A 41 ILE HB . 25083 1
462 . 1 1 41 41 ILE HG12 H 1 1.527 0.000 . . . . . A 41 ILE HG12 . 25083 1
463 . 1 1 41 41 ILE HG21 H 1 0.736 0.002 . . . . . A 41 ILE HG21 . 25083 1
464 . 1 1 41 41 ILE HG22 H 1 0.736 0.002 . . . . . A 41 ILE HG22 . 25083 1
465 . 1 1 41 41 ILE HG23 H 1 0.736 0.002 . . . . . A 41 ILE HG23 . 25083 1
466 . 1 1 41 41 ILE HD11 H 1 0.588 0.000 . . . . . A 41 ILE HD11 . 25083 1
467 . 1 1 41 41 ILE HD12 H 1 0.588 0.000 . . . . . A 41 ILE HD12 . 25083 1
468 . 1 1 41 41 ILE HD13 H 1 0.588 0.000 . . . . . A 41 ILE HD13 . 25083 1
469 . 1 1 41 41 ILE C C 13 177.473 0.000 . . . . . A 41 ILE C . 25083 1
470 . 1 1 41 41 ILE CA C 13 66.158 0.031 . . . . . A 41 ILE CA . 25083 1
471 . 1 1 41 41 ILE CB C 13 38.713 0.061 . . . . . A 41 ILE CB . 25083 1
472 . 1 1 41 41 ILE CG1 C 13 30.557 0.000 . . . . . A 41 ILE CG1 . 25083 1
473 . 1 1 41 41 ILE CG2 C 13 18.763 0.020 . . . . . A 41 ILE CG2 . 25083 1
474 . 1 1 41 41 ILE CD1 C 13 14.491 0.002 . . . . . A 41 ILE CD1 . 25083 1
475 . 1 1 41 41 ILE N N 15 118.690 0.032 . . . . . A 41 ILE N . 25083 1
476 . 1 1 42 42 GLU H H 1 7.893 0.009 . . . . . A 42 GLU H . 25083 1
477 . 1 1 42 42 GLU HA H 1 4.070 0.008 . . . . . A 42 GLU HA . 25083 1
478 . 1 1 42 42 GLU HB3 H 1 2.000 0.006 . . . . . A 42 GLU HB3 . 25083 1
479 . 1 1 42 42 GLU HG2 H 1 2.155 0.000 . . . . . A 42 GLU HG2 . 25083 1
480 . 1 1 42 42 GLU HG3 H 1 2.304 0.000 . . . . . A 42 GLU HG3 . 25083 1
481 . 1 1 42 42 GLU C C 13 179.305 0.000 . . . . . A 42 GLU C . 25083 1
482 . 1 1 42 42 GLU CA C 13 60.430 0.043 . . . . . A 42 GLU CA . 25083 1
483 . 1 1 42 42 GLU CB C 13 30.336 0.060 . . . . . A 42 GLU CB . 25083 1
484 . 1 1 42 42 GLU CG C 13 37.427 0.000 . . . . . A 42 GLU CG . 25083 1
485 . 1 1 42 42 GLU N N 15 119.589 0.022 . . . . . A 42 GLU N . 25083 1
486 . 1 1 43 43 ALA H H 1 7.971 0.009 . . . . . A 43 ALA H . 25083 1
487 . 1 1 43 43 ALA HA H 1 4.054 0.010 . . . . . A 43 ALA HA . 25083 1
488 . 1 1 43 43 ALA HB1 H 1 1.453 0.004 . . . . . A 43 ALA HB1 . 25083 1
489 . 1 1 43 43 ALA HB2 H 1 1.453 0.004 . . . . . A 43 ALA HB2 . 25083 1
490 . 1 1 43 43 ALA HB3 H 1 1.453 0.004 . . . . . A 43 ALA HB3 . 25083 1
491 . 1 1 43 43 ALA C C 13 180.998 0.000 . . . . . A 43 ALA C . 25083 1
492 . 1 1 43 43 ALA CA C 13 56.148 0.076 . . . . . A 43 ALA CA . 25083 1
493 . 1 1 43 43 ALA CB C 13 18.860 0.038 . . . . . A 43 ALA CB . 25083 1
494 . 1 1 43 43 ALA N N 15 120.504 0.029 . . . . . A 43 ALA N . 25083 1
495 . 1 1 44 44 LEU H H 1 7.620 0.015 . . . . . A 44 LEU H . 25083 1
496 . 1 1 44 44 LEU HA H 1 4.020 0.006 . . . . . A 44 LEU HA . 25083 1
497 . 1 1 44 44 LEU HB2 H 1 1.285 0.005 . . . . . A 44 LEU HB2 . 25083 1
498 . 1 1 44 44 LEU HB3 H 1 2.091 0.010 . . . . . A 44 LEU HB3 . 25083 1
499 . 1 1 44 44 LEU HG H 1 1.844 0.000 . . . . . A 44 LEU HG . 25083 1
500 . 1 1 44 44 LEU HD11 H 1 0.634 0.016 . . . . . A 44 LEU HD11 . 25083 1
501 . 1 1 44 44 LEU HD12 H 1 0.634 0.016 . . . . . A 44 LEU HD12 . 25083 1
502 . 1 1 44 44 LEU HD13 H 1 0.634 0.016 . . . . . A 44 LEU HD13 . 25083 1
503 . 1 1 44 44 LEU HD21 H 1 0.782 0.001 . . . . . A 44 LEU HD21 . 25083 1
504 . 1 1 44 44 LEU HD22 H 1 0.782 0.001 . . . . . A 44 LEU HD22 . 25083 1
505 . 1 1 44 44 LEU HD23 H 1 0.782 0.001 . . . . . A 44 LEU HD23 . 25083 1
506 . 1 1 44 44 LEU C C 13 178.191 0.000 . . . . . A 44 LEU C . 25083 1
507 . 1 1 44 44 LEU CA C 13 59.126 0.089 . . . . . A 44 LEU CA . 25083 1
508 . 1 1 44 44 LEU CB C 13 43.871 0.055 . . . . . A 44 LEU CB . 25083 1
509 . 1 1 44 44 LEU CG C 13 28.130 0.000 . . . . . A 44 LEU CG . 25083 1
510 . 1 1 44 44 LEU CD1 C 13 26.442 0.006 . . . . . A 44 LEU CD1 . 25083 1
511 . 1 1 44 44 LEU CD2 C 13 24.642 0.005 . . . . . A 44 LEU CD2 . 25083 1
512 . 1 1 44 44 LEU N N 15 119.771 0.029 . . . . . A 44 LEU N . 25083 1
513 . 1 1 45 45 ASP H H 1 8.527 0.011 . . . . . A 45 ASP H . 25083 1
514 . 1 1 45 45 ASP HA H 1 4.209 0.007 . . . . . A 45 ASP HA . 25083 1
515 . 1 1 45 45 ASP HB2 H 1 2.543 0.001 . . . . . A 45 ASP HB2 . 25083 1
516 . 1 1 45 45 ASP HB3 H 1 2.754 0.008 . . . . . A 45 ASP HB3 . 25083 1
517 . 1 1 45 45 ASP C C 13 179.069 0.000 . . . . . A 45 ASP C . 25083 1
518 . 1 1 45 45 ASP CA C 13 59.000 0.092 . . . . . A 45 ASP CA . 25083 1
519 . 1 1 45 45 ASP CB C 13 41.836 0.012 . . . . . A 45 ASP CB . 25083 1
520 . 1 1 45 45 ASP N N 15 120.586 0.017 . . . . . A 45 ASP N . 25083 1
521 . 1 1 46 46 ARG H H 1 7.898 0.008 . . . . . A 46 ARG H . 25083 1
522 . 1 1 46 46 ARG HA H 1 3.906 0.008 . . . . . A 46 ARG HA . 25083 1
523 . 1 1 46 46 ARG HB2 H 1 1.837 0.010 . . . . . A 46 ARG HB2 . 25083 1
524 . 1 1 46 46 ARG HG2 H 1 1.597 0.000 . . . . . A 46 ARG HG2 . 25083 1
525 . 1 1 46 46 ARG HG3 H 1 1.650 0.000 . . . . . A 46 ARG HG3 . 25083 1
526 . 1 1 46 46 ARG HD2 H 1 3.131 0.000 . . . . . A 46 ARG HD2 . 25083 1
527 . 1 1 46 46 ARG C C 13 178.066 0.000 . . . . . A 46 ARG C . 25083 1
528 . 1 1 46 46 ARG CA C 13 59.888 0.083 . . . . . A 46 ARG CA . 25083 1
529 . 1 1 46 46 ARG CB C 13 30.735 0.029 . . . . . A 46 ARG CB . 25083 1
530 . 1 1 46 46 ARG CG C 13 28.055 0.000 . . . . . A 46 ARG CG . 25083 1
531 . 1 1 46 46 ARG CD C 13 44.212 0.000 . . . . . A 46 ARG CD . 25083 1
532 . 1 1 46 46 ARG N N 15 118.660 0.064 . . . . . A 46 ARG N . 25083 1
533 . 1 1 47 47 LEU H H 1 7.796 0.006 . . . . . A 47 LEU H . 25083 1
534 . 1 1 47 47 LEU HA H 1 3.957 0.011 . . . . . A 47 LEU HA . 25083 1
535 . 1 1 47 47 LEU HB2 H 1 1.140 0.002 . . . . . A 47 LEU HB2 . 25083 1
536 . 1 1 47 47 LEU HB3 H 1 1.697 0.007 . . . . . A 47 LEU HB3 . 25083 1
537 . 1 1 47 47 LEU HG H 1 1.426 0.010 . . . . . A 47 LEU HG . 25083 1
538 . 1 1 47 47 LEU HD11 H 1 0.614 0.011 . . . . . A 47 LEU HD11 . 25083 1
539 . 1 1 47 47 LEU HD12 H 1 0.614 0.011 . . . . . A 47 LEU HD12 . 25083 1
540 . 1 1 47 47 LEU HD13 H 1 0.614 0.011 . . . . . A 47 LEU HD13 . 25083 1
541 . 1 1 47 47 LEU C C 13 178.421 0.000 . . . . . A 47 LEU C . 25083 1
542 . 1 1 47 47 LEU CA C 13 59.002 0.076 . . . . . A 47 LEU CA . 25083 1
543 . 1 1 47 47 LEU CB C 13 43.626 0.040 . . . . . A 47 LEU CB . 25083 1
544 . 1 1 47 47 LEU CG C 13 28.129 0.046 . . . . . A 47 LEU CG . 25083 1
545 . 1 1 47 47 LEU CD1 C 13 25.443 0.003 . . . . . A 47 LEU CD1 . 25083 1
546 . 1 1 47 47 LEU N N 15 120.472 0.013 . . . . . A 47 LEU N . 25083 1
547 . 1 1 48 48 LEU H H 1 8.200 0.010 . . . . . A 48 LEU H . 25083 1
548 . 1 1 48 48 LEU HA H 1 3.547 0.009 . . . . . A 48 LEU HA . 25083 1
549 . 1 1 48 48 LEU HB2 H 1 1.361 0.006 . . . . . A 48 LEU HB2 . 25083 1
550 . 1 1 48 48 LEU HB3 H 1 1.805 0.011 . . . . . A 48 LEU HB3 . 25083 1
551 . 1 1 48 48 LEU HG H 1 0.724 0.000 . . . . . A 48 LEU HG . 25083 1
552 . 1 1 48 48 LEU HD11 H 1 0.617 0.022 . . . . . A 48 LEU HD11 . 25083 1
553 . 1 1 48 48 LEU HD12 H 1 0.617 0.022 . . . . . A 48 LEU HD12 . 25083 1
554 . 1 1 48 48 LEU HD13 H 1 0.617 0.022 . . . . . A 48 LEU HD13 . 25083 1
555 . 1 1 48 48 LEU HD21 H 1 0.617 0.022 . . . . . A 48 LEU HD21 . 25083 1
556 . 1 1 48 48 LEU HD22 H 1 0.617 0.022 . . . . . A 48 LEU HD22 . 25083 1
557 . 1 1 48 48 LEU HD23 H 1 0.617 0.022 . . . . . A 48 LEU HD23 . 25083 1
558 . 1 1 48 48 LEU C C 13 179.157 0.000 . . . . . A 48 LEU C . 25083 1
559 . 1 1 48 48 LEU CA C 13 60.344 0.098 . . . . . A 48 LEU CA . 25083 1
560 . 1 1 48 48 LEU CB C 13 43.234 0.028 . . . . . A 48 LEU CB . 25083 1
561 . 1 1 48 48 LEU CG C 13 29.259 0.000 . . . . . A 48 LEU CG . 25083 1
562 . 1 1 48 48 LEU CD1 C 13 25.267 0.000 . . . . . A 48 LEU CD1 . 25083 1
563 . 1 1 48 48 LEU CD2 C 13 26.577 0.009 . . . . . A 48 LEU CD2 . 25083 1
564 . 1 1 48 48 LEU N N 15 119.579 0.031 . . . . . A 48 LEU N . 25083 1
565 . 1 1 49 49 LEU H H 1 7.271 0.011 . . . . . A 49 LEU H . 25083 1
566 . 1 1 49 49 LEU HA H 1 3.872 0.011 . . . . . A 49 LEU HA . 25083 1
567 . 1 1 49 49 LEU HB2 H 1 1.439 0.002 . . . . . A 49 LEU HB2 . 25083 1
568 . 1 1 49 49 LEU HB3 H 1 1.770 0.007 . . . . . A 49 LEU HB3 . 25083 1
569 . 1 1 49 49 LEU HG H 1 1.631 0.000 . . . . . A 49 LEU HG . 25083 1
570 . 1 1 49 49 LEU HD11 H 1 0.756 0.009 . . . . . A 49 LEU HD11 . 25083 1
571 . 1 1 49 49 LEU HD12 H 1 0.756 0.009 . . . . . A 49 LEU HD12 . 25083 1
572 . 1 1 49 49 LEU HD13 H 1 0.756 0.009 . . . . . A 49 LEU HD13 . 25083 1
573 . 1 1 49 49 LEU HD21 H 1 0.782 0.000 . . . . . A 49 LEU HD21 . 25083 1
574 . 1 1 49 49 LEU HD22 H 1 0.782 0.000 . . . . . A 49 LEU HD22 . 25083 1
575 . 1 1 49 49 LEU HD23 H 1 0.782 0.000 . . . . . A 49 LEU HD23 . 25083 1
576 . 1 1 49 49 LEU C C 13 180.003 0.000 . . . . . A 49 LEU C . 25083 1
577 . 1 1 49 49 LEU CA C 13 59.000 0.050 . . . . . A 49 LEU CA . 25083 1
578 . 1 1 49 49 LEU CB C 13 42.695 0.035 . . . . . A 49 LEU CB . 25083 1
579 . 1 1 49 49 LEU CG C 13 27.404 0.000 . . . . . A 49 LEU CG . 25083 1
580 . 1 1 49 49 LEU CD1 C 13 24.438 0.044 . . . . . A 49 LEU CD1 . 25083 1
581 . 1 1 49 49 LEU CD2 C 13 25.931 0.000 . . . . . A 49 LEU CD2 . 25083 1
582 . 1 1 49 49 LEU N N 15 117.763 0.049 . . . . . A 49 LEU N . 25083 1
583 . 1 1 50 50 ASP H H 1 8.596 0.011 . . . . . A 50 ASP H . 25083 1
584 . 1 1 50 50 ASP HA H 1 4.267 0.004 . . . . . A 50 ASP HA . 25083 1
585 . 1 1 50 50 ASP HB2 H 1 2.362 0.005 . . . . . A 50 ASP HB2 . 25083 1
586 . 1 1 50 50 ASP HB3 H 1 2.698 0.008 . . . . . A 50 ASP HB3 . 25083 1
587 . 1 1 50 50 ASP C C 13 179.515 0.000 . . . . . A 50 ASP C . 25083 1
588 . 1 1 50 50 ASP CA C 13 59.047 0.074 . . . . . A 50 ASP CA . 25083 1
589 . 1 1 50 50 ASP CB C 13 41.721 0.052 . . . . . A 50 ASP CB . 25083 1
590 . 1 1 50 50 ASP N N 15 120.215 0.019 . . . . . A 50 ASP N . 25083 1
591 . 1 1 51 51 VAL H H 1 9.158 0.008 . . . . . A 51 VAL H . 25083 1
592 . 1 1 51 51 VAL HA H 1 3.785 0.006 . . . . . A 51 VAL HA . 25083 1
593 . 1 1 51 51 VAL HB H 1 1.901 0.007 . . . . . A 51 VAL HB . 25083 1
594 . 1 1 51 51 VAL HG11 H 1 0.589 0.001 . . . . . A 51 VAL HG11 . 25083 1
595 . 1 1 51 51 VAL HG12 H 1 0.589 0.001 . . . . . A 51 VAL HG12 . 25083 1
596 . 1 1 51 51 VAL HG13 H 1 0.589 0.001 . . . . . A 51 VAL HG13 . 25083 1
597 . 1 1 51 51 VAL HG21 H 1 0.807 0.000 . . . . . A 51 VAL HG21 . 25083 1
598 . 1 1 51 51 VAL HG22 H 1 0.807 0.000 . . . . . A 51 VAL HG22 . 25083 1
599 . 1 1 51 51 VAL HG23 H 1 0.807 0.000 . . . . . A 51 VAL HG23 . 25083 1
600 . 1 1 51 51 VAL C C 13 180.637 0.000 . . . . . A 51 VAL C . 25083 1
601 . 1 1 51 51 VAL CA C 13 67.574 0.075 . . . . . A 51 VAL CA . 25083 1
602 . 1 1 51 51 VAL CB C 13 32.084 0.018 . . . . . A 51 VAL CB . 25083 1
603 . 1 1 51 51 VAL CG1 C 13 24.892 0.003 . . . . . A 51 VAL CG1 . 25083 1
604 . 1 1 51 51 VAL CG2 C 13 23.016 0.004 . . . . . A 51 VAL CG2 . 25083 1
605 . 1 1 51 51 VAL N N 15 121.922 0.023 . . . . . A 51 VAL N . 25083 1
606 . 1 1 52 52 ARG H H 1 8.129 0.012 . . . . . A 52 ARG H . 25083 1
607 . 1 1 52 52 ARG HA H 1 3.843 0.008 . . . . . A 52 ARG HA . 25083 1
608 . 1 1 52 52 ARG HB2 H 1 1.895 0.009 . . . . . A 52 ARG HB2 . 25083 1
609 . 1 1 52 52 ARG HG3 H 1 1.608 0.000 . . . . . A 52 ARG HG3 . 25083 1
610 . 1 1 52 52 ARG HD2 H 1 3.163 0.000 . . . . . A 52 ARG HD2 . 25083 1
611 . 1 1 52 52 ARG HD3 H 1 3.087 0.000 . . . . . A 52 ARG HD3 . 25083 1
612 . 1 1 52 52 ARG C C 13 177.476 0.000 . . . . . A 52 ARG C . 25083 1
613 . 1 1 52 52 ARG CA C 13 61.393 0.094 . . . . . A 52 ARG CA . 25083 1
614 . 1 1 52 52 ARG CB C 13 31.010 0.012 . . . . . A 52 ARG CB . 25083 1
615 . 1 1 52 52 ARG CG C 13 28.795 0.000 . . . . . A 52 ARG CG . 25083 1
616 . 1 1 52 52 ARG CD C 13 44.535 0.000 . . . . . A 52 ARG CD . 25083 1
617 . 1 1 52 52 ARG N N 15 123.221 0.028 . . . . . A 52 ARG N . 25083 1
618 . 1 1 53 53 ALA H H 1 7.907 0.012 . . . . . A 53 ALA H . 25083 1
619 . 1 1 53 53 ALA HA H 1 4.283 0.009 . . . . . A 53 ALA HA . 25083 1
620 . 1 1 53 53 ALA HB1 H 1 1.417 0.010 . . . . . A 53 ALA HB1 . 25083 1
621 . 1 1 53 53 ALA HB2 H 1 1.417 0.010 . . . . . A 53 ALA HB2 . 25083 1
622 . 1 1 53 53 ALA HB3 H 1 1.417 0.010 . . . . . A 53 ALA HB3 . 25083 1
623 . 1 1 53 53 ALA C C 13 175.923 0.000 . . . . . A 53 ALA C . 25083 1
624 . 1 1 53 53 ALA CA C 13 53.144 0.089 . . . . . A 53 ALA CA . 25083 1
625 . 1 1 53 53 ALA CB C 13 19.830 0.056 . . . . . A 53 ALA CB . 25083 1
626 . 1 1 53 53 ALA N N 15 117.073 0.070 . . . . . A 53 ALA N . 25083 1
627 . 1 1 54 54 ARG H H 1 7.655 0.011 . . . . . A 54 ARG H . 25083 1
628 . 1 1 54 54 ARG HA H 1 3.708 0.007 . . . . . A 54 ARG HA . 25083 1
629 . 1 1 54 54 ARG HB2 H 1 2.043 0.006 . . . . . A 54 ARG HB2 . 25083 1
630 . 1 1 54 54 ARG HG2 H 1 1.243 0.000 . . . . . A 54 ARG HG2 . 25083 1
631 . 1 1 54 54 ARG HG3 H 1 1.446 0.000 . . . . . A 54 ARG HG3 . 25083 1
632 . 1 1 54 54 ARG HD2 H 1 3.155 0.000 . . . . . A 54 ARG HD2 . 25083 1
633 . 1 1 54 54 ARG HD3 H 1 3.090 0.000 . . . . . A 54 ARG HD3 . 25083 1
634 . 1 1 54 54 ARG C C 13 175.435 0.000 . . . . . A 54 ARG C . 25083 1
635 . 1 1 54 54 ARG CA C 13 59.184 0.058 . . . . . A 54 ARG CA . 25083 1
636 . 1 1 54 54 ARG CB C 13 27.258 0.059 . . . . . A 54 ARG CB . 25083 1
637 . 1 1 54 54 ARG CG C 13 29.522 0.000 . . . . . A 54 ARG CG . 25083 1
638 . 1 1 54 54 ARG CD C 13 44.288 0.000 . . . . . A 54 ARG CD . 25083 1
639 . 1 1 54 54 ARG N N 15 111.340 0.041 . . . . . A 54 ARG N . 25083 1
640 . 1 1 55 55 ARG H H 1 8.518 0.009 . . . . . A 55 ARG H . 25083 1
641 . 1 1 55 55 ARG HA H 1 4.256 0.008 . . . . . A 55 ARG HA . 25083 1
642 . 1 1 55 55 ARG HB2 H 1 1.819 0.005 . . . . . A 55 ARG HB2 . 25083 1
643 . 1 1 55 55 ARG HB3 H 1 1.587 0.002 . . . . . A 55 ARG HB3 . 25083 1
644 . 1 1 55 55 ARG HG3 H 1 1.507 0.000 . . . . . A 55 ARG HG3 . 25083 1
645 . 1 1 55 55 ARG HD2 H 1 3.225 0.000 . . . . . A 55 ARG HD2 . 25083 1
646 . 1 1 55 55 ARG HD3 H 1 3.072 0.000 . . . . . A 55 ARG HD3 . 25083 1
647 . 1 1 55 55 ARG C C 13 176.172 0.000 . . . . . A 55 ARG C . 25083 1
648 . 1 1 55 55 ARG CA C 13 58.714 0.090 . . . . . A 55 ARG CA . 25083 1
649 . 1 1 55 55 ARG CB C 13 32.939 0.027 . . . . . A 55 ARG CB . 25083 1
650 . 1 1 55 55 ARG CG C 13 30.224 0.000 . . . . . A 55 ARG CG . 25083 1
651 . 1 1 55 55 ARG CD C 13 44.249 0.000 . . . . . A 55 ARG CD . 25083 1
652 . 1 1 55 55 ARG N N 15 115.953 0.019 . . . . . A 55 ARG N . 25083 1
653 . 1 1 56 56 VAL H H 1 6.748 0.012 . . . . . A 56 VAL H . 25083 1
654 . 1 1 56 56 VAL HA H 1 4.319 0.008 . . . . . A 56 VAL HA . 25083 1
655 . 1 1 56 56 VAL HB H 1 1.707 0.010 . . . . . A 56 VAL HB . 25083 1
656 . 1 1 56 56 VAL HG11 H 1 0.814 0.002 . . . . . A 56 VAL HG11 . 25083 1
657 . 1 1 56 56 VAL HG12 H 1 0.814 0.002 . . . . . A 56 VAL HG12 . 25083 1
658 . 1 1 56 56 VAL HG13 H 1 0.814 0.002 . . . . . A 56 VAL HG13 . 25083 1
659 . 1 1 56 56 VAL HG21 H 1 0.908 0.001 . . . . . A 56 VAL HG21 . 25083 1
660 . 1 1 56 56 VAL HG22 H 1 0.908 0.001 . . . . . A 56 VAL HG22 . 25083 1
661 . 1 1 56 56 VAL HG23 H 1 0.908 0.001 . . . . . A 56 VAL HG23 . 25083 1
662 . 1 1 56 56 VAL C C 13 174.045 0.000 . . . . . A 56 VAL C . 25083 1
663 . 1 1 56 56 VAL CA C 13 61.699 0.069 . . . . . A 56 VAL CA . 25083 1
664 . 1 1 56 56 VAL CB C 13 37.121 0.051 . . . . . A 56 VAL CB . 25083 1
665 . 1 1 56 56 VAL CG1 C 13 23.174 0.002 . . . . . A 56 VAL CG1 . 25083 1
666 . 1 1 56 56 VAL CG2 C 13 23.253 0.000 . . . . . A 56 VAL CG2 . 25083 1
667 . 1 1 56 56 VAL N N 15 113.839 0.020 . . . . . A 56 VAL N . 25083 1
668 . 1 1 57 57 ASP H H 1 8.890 0.015 . . . . . A 57 ASP H . 25083 1
669 . 1 1 57 57 ASP HA H 1 4.769 0.011 . . . . . A 57 ASP HA . 25083 1
670 . 1 1 57 57 ASP HB2 H 1 2.572 0.004 . . . . . A 57 ASP HB2 . 25083 1
671 . 1 1 57 57 ASP HB3 H 1 2.952 0.011 . . . . . A 57 ASP HB3 . 25083 1
672 . 1 1 57 57 ASP C C 13 173.528 0.000 . . . . . A 57 ASP C . 25083 1
673 . 1 1 57 57 ASP CA C 13 54.398 0.043 . . . . . A 57 ASP CA . 25083 1
674 . 1 1 57 57 ASP CB C 13 43.914 0.035 . . . . . A 57 ASP CB . 25083 1
675 . 1 1 57 57 ASP N N 15 122.909 0.026 . . . . . A 57 ASP N . 25083 1
676 . 1 1 58 58 GLN H H 1 7.453 0.009 . . . . . A 58 GLN H . 25083 1
677 . 1 1 58 58 GLN HA H 1 5.417 0.012 . . . . . A 58 GLN HA . 25083 1
678 . 1 1 58 58 GLN HB2 H 1 2.078 0.003 . . . . . A 58 GLN HB2 . 25083 1
679 . 1 1 58 58 GLN HB3 H 1 1.905 0.010 . . . . . A 58 GLN HB3 . 25083 1
680 . 1 1 58 58 GLN HG3 H 1 2.150 0.000 . . . . . A 58 GLN HG3 . 25083 1
681 . 1 1 58 58 GLN HE21 H 1 6.572 0.003 . . . . . A 58 GLN HE21 . 25083 1
682 . 1 1 58 58 GLN HE22 H 1 7.277 0.003 . . . . . A 58 GLN HE22 . 25083 1
683 . 1 1 58 58 GLN C C 13 174.095 0.000 . . . . . A 58 GLN C . 25083 1
684 . 1 1 58 58 GLN CA C 13 55.381 0.107 . . . . . A 58 GLN CA . 25083 1
685 . 1 1 58 58 GLN CB C 13 31.919 0.050 . . . . . A 58 GLN CB . 25083 1
686 . 1 1 58 58 GLN CG C 13 33.289 0.229 . . . . . A 58 GLN CG . 25083 1
687 . 1 1 58 58 GLN CD C 13 180.331 0.000 . . . . . A 58 GLN CD . 25083 1
688 . 1 1 58 58 GLN N N 15 115.611 0.051 . . . . . A 58 GLN N . 25083 1
689 . 1 1 58 58 GLN NE2 N 15 110.511 0.054 . . . . . A 58 GLN NE2 . 25083 1
690 . 1 1 59 59 PHE H H 1 8.574 0.010 . . . . . A 59 PHE H . 25083 1
691 . 1 1 59 59 PHE HA H 1 4.806 0.013 . . . . . A 59 PHE HA . 25083 1
692 . 1 1 59 59 PHE HB2 H 1 2.870 0.004 . . . . . A 59 PHE HB2 . 25083 1
693 . 1 1 59 59 PHE HB3 H 1 3.091 0.003 . . . . . A 59 PHE HB3 . 25083 1
694 . 1 1 59 59 PHE HD1 H 1 6.570 0.002 . . . . . A 59 PHE HD1 . 25083 1
695 . 1 1 59 59 PHE HD2 H 1 6.570 0.002 . . . . . A 59 PHE HD2 . 25083 1
696 . 1 1 59 59 PHE HE1 H 1 6.911 0.002 . . . . . A 59 PHE HE1 . 25083 1
697 . 1 1 59 59 PHE HE2 H 1 6.911 0.002 . . . . . A 59 PHE HE2 . 25083 1
698 . 1 1 59 59 PHE C C 13 171.744 0.000 . . . . . A 59 PHE C . 25083 1
699 . 1 1 59 59 PHE CA C 13 57.903 0.071 . . . . . A 59 PHE CA . 25083 1
700 . 1 1 59 59 PHE CB C 13 41.904 0.086 . . . . . A 59 PHE CB . 25083 1
701 . 1 1 59 59 PHE CD1 C 13 133.480 0.000 . . . . . A 59 PHE CD1 . 25083 1
702 . 1 1 59 59 PHE CD2 C 13 133.480 0.000 . . . . . A 59 PHE CD2 . 25083 1
703 . 1 1 59 59 PHE CE1 C 13 132.164 0.000 . . . . . A 59 PHE CE1 . 25083 1
704 . 1 1 59 59 PHE CE2 C 13 132.164 0.000 . . . . . A 59 PHE CE2 . 25083 1
705 . 1 1 59 59 PHE N N 15 116.414 0.041 . . . . . A 59 PHE N . 25083 1
706 . 1 1 60 60 GLN H H 1 8.471 0.009 . . . . . A 60 GLN H . 25083 1
707 . 1 1 60 60 GLN HA H 1 4.737 0.012 . . . . . A 60 GLN HA . 25083 1
708 . 1 1 60 60 GLN HB2 H 1 1.606 0.007 . . . . . A 60 GLN HB2 . 25083 1
709 . 1 1 60 60 GLN HB3 H 1 2.011 0.003 . . . . . A 60 GLN HB3 . 25083 1
710 . 1 1 60 60 GLN HG3 H 1 2.140 0.000 . . . . . A 60 GLN HG3 . 25083 1
711 . 1 1 60 60 GLN HE21 H 1 6.562 0.002 . . . . . A 60 GLN HE21 . 25083 1
712 . 1 1 60 60 GLN HE22 H 1 7.551 0.004 . . . . . A 60 GLN HE22 . 25083 1
713 . 1 1 60 60 GLN C C 13 176.335 0.000 . . . . . A 60 GLN C . 25083 1
714 . 1 1 60 60 GLN CA C 13 55.560 0.026 . . . . . A 60 GLN CA . 25083 1
715 . 1 1 60 60 GLN CB C 13 33.087 0.013 . . . . . A 60 GLN CB . 25083 1
716 . 1 1 60 60 GLN CG C 13 34.611 0.074 . . . . . A 60 GLN CG . 25083 1
717 . 1 1 60 60 GLN CD C 13 180.400 0.000 . . . . . A 60 GLN CD . 25083 1
718 . 1 1 60 60 GLN N N 15 118.542 0.018 . . . . . A 60 GLN N . 25083 1
719 . 1 1 60 60 GLN NE2 N 15 112.299 0.042 . . . . . A 60 GLN NE2 . 25083 1
720 . 1 1 61 61 ILE H H 1 9.216 0.017 . . . . . A 61 ILE H . 25083 1
721 . 1 1 61 61 ILE HA H 1 4.004 0.018 . . . . . A 61 ILE HA . 25083 1
722 . 1 1 61 61 ILE HB H 1 1.869 0.011 . . . . . A 61 ILE HB . 25083 1
723 . 1 1 61 61 ILE HG12 H 1 1.532 0.000 . . . . . A 61 ILE HG12 . 25083 1
724 . 1 1 61 61 ILE HG13 H 1 1.209 0.000 . . . . . A 61 ILE HG13 . 25083 1
725 . 1 1 61 61 ILE HG21 H 1 0.967 0.009 . . . . . A 61 ILE HG21 . 25083 1
726 . 1 1 61 61 ILE HG22 H 1 0.967 0.009 . . . . . A 61 ILE HG22 . 25083 1
727 . 1 1 61 61 ILE HG23 H 1 0.967 0.009 . . . . . A 61 ILE HG23 . 25083 1
728 . 1 1 61 61 ILE HD11 H 1 0.814 0.002 . . . . . A 61 ILE HD11 . 25083 1
729 . 1 1 61 61 ILE HD12 H 1 0.814 0.002 . . . . . A 61 ILE HD12 . 25083 1
730 . 1 1 61 61 ILE HD13 H 1 0.814 0.002 . . . . . A 61 ILE HD13 . 25083 1
731 . 1 1 61 61 ILE C C 13 175.471 0.000 . . . . . A 61 ILE C . 25083 1
732 . 1 1 61 61 ILE CA C 13 64.857 0.100 . . . . . A 61 ILE CA . 25083 1
733 . 1 1 61 61 ILE CB C 13 39.756 0.071 . . . . . A 61 ILE CB . 25083 1
734 . 1 1 61 61 ILE CG1 C 13 28.111 0.000 . . . . . A 61 ILE CG1 . 25083 1
735 . 1 1 61 61 ILE CG2 C 13 19.444 0.023 . . . . . A 61 ILE CG2 . 25083 1
736 . 1 1 61 61 ILE CD1 C 13 14.726 0.004 . . . . . A 61 ILE CD1 . 25083 1
737 . 1 1 61 61 ILE N N 15 121.603 0.063 . . . . . A 61 ILE N . 25083 1
738 . 1 1 62 62 ASN H H 1 7.575 0.018 . . . . . A 62 ASN H . 25083 1
739 . 1 1 62 62 ASN HA H 1 4.493 0.006 . . . . . A 62 ASN HA . 25083 1
740 . 1 1 62 62 ASN HB2 H 1 2.864 0.000 . . . . . A 62 ASN HB2 . 25083 1
741 . 1 1 62 62 ASN HB3 H 1 2.896 0.014 . . . . . A 62 ASN HB3 . 25083 1
742 . 1 1 62 62 ASN HD21 H 1 6.779 0.004 . . . . . A 62 ASN HD21 . 25083 1
743 . 1 1 62 62 ASN HD22 H 1 7.599 0.003 . . . . . A 62 ASN HD22 . 25083 1
744 . 1 1 62 62 ASN C C 13 175.266 0.000 . . . . . A 62 ASN C . 25083 1
745 . 1 1 62 62 ASN CA C 13 54.182 0.094 . . . . . A 62 ASN CA . 25083 1
746 . 1 1 62 62 ASN CB C 13 40.534 0.068 . . . . . A 62 ASN CB . 25083 1
747 . 1 1 62 62 ASN CG C 13 176.394 0.000 . . . . . A 62 ASN CG . 25083 1
748 . 1 1 62 62 ASN N N 15 114.061 0.158 . . . . . A 62 ASN N . 25083 1
749 . 1 1 62 62 ASN ND2 N 15 113.752 0.066 . . . . . A 62 ASN ND2 . 25083 1
750 . 1 1 63 63 ALA H H 1 8.470 0.013 . . . . . A 63 ALA H . 25083 1
751 . 1 1 63 63 ALA HA H 1 3.987 0.008 . . . . . A 63 ALA HA . 25083 1
752 . 1 1 63 63 ALA HB1 H 1 1.342 0.009 . . . . . A 63 ALA HB1 . 25083 1
753 . 1 1 63 63 ALA HB2 H 1 1.342 0.009 . . . . . A 63 ALA HB2 . 25083 1
754 . 1 1 63 63 ALA HB3 H 1 1.342 0.009 . . . . . A 63 ALA HB3 . 25083 1
755 . 1 1 63 63 ALA C C 13 177.870 0.000 . . . . . A 63 ALA C . 25083 1
756 . 1 1 63 63 ALA CA C 13 55.559 0.060 . . . . . A 63 ALA CA . 25083 1
757 . 1 1 63 63 ALA CB C 13 19.540 0.002 . . . . . A 63 ALA CB . 25083 1
758 . 1 1 63 63 ALA N N 15 120.336 0.035 . . . . . A 63 ALA N . 25083 1
759 . 1 1 64 64 SER H H 1 8.023 0.008 . . . . . A 64 SER H . 25083 1
760 . 1 1 64 64 SER HA H 1 4.477 0.011 . . . . . A 64 SER HA . 25083 1
761 . 1 1 64 64 SER HB3 H 1 3.816 0.010 . . . . . A 64 SER HB3 . 25083 1
762 . 1 1 64 64 SER C C 13 173.312 0.000 . . . . . A 64 SER C . 25083 1
763 . 1 1 64 64 SER CA C 13 58.932 0.095 . . . . . A 64 SER CA . 25083 1
764 . 1 1 64 64 SER CB C 13 64.893 0.037 . . . . . A 64 SER CB . 25083 1
765 . 1 1 64 64 SER N N 15 111.179 0.016 . . . . . A 64 SER N . 25083 1
766 . 1 1 65 65 ALA H H 1 7.625 0.012 . . . . . A 65 ALA H . 25083 1
767 . 1 1 65 65 ALA HA H 1 4.382 0.010 . . . . . A 65 ALA HA . 25083 1
768 . 1 1 65 65 ALA HB1 H 1 1.464 0.009 . . . . . A 65 ALA HB1 . 25083 1
769 . 1 1 65 65 ALA HB2 H 1 1.464 0.009 . . . . . A 65 ALA HB2 . 25083 1
770 . 1 1 65 65 ALA HB3 H 1 1.464 0.009 . . . . . A 65 ALA HB3 . 25083 1
771 . 1 1 65 65 ALA C C 13 176.396 0.000 . . . . . A 65 ALA C . 25083 1
772 . 1 1 65 65 ALA CA C 13 52.283 0.076 . . . . . A 65 ALA CA . 25083 1
773 . 1 1 65 65 ALA CB C 13 22.333 0.107 . . . . . A 65 ALA CB . 25083 1
774 . 1 1 65 65 ALA N N 15 125.799 0.015 . . . . . A 65 ALA N . 25083 1
775 . 1 1 66 66 ALA H H 1 7.998 0.012 . . . . . A 66 ALA H . 25083 1
776 . 1 1 66 66 ALA HA H 1 4.089 0.014 . . . . . A 66 ALA HA . 25083 1
777 . 1 1 66 66 ALA HB1 H 1 1.038 0.009 . . . . . A 66 ALA HB1 . 25083 1
778 . 1 1 66 66 ALA HB2 H 1 1.038 0.009 . . . . . A 66 ALA HB2 . 25083 1
779 . 1 1 66 66 ALA HB3 H 1 1.038 0.009 . . . . . A 66 ALA HB3 . 25083 1
780 . 1 1 66 66 ALA C C 13 176.740 0.000 . . . . . A 66 ALA C . 25083 1
781 . 1 1 66 66 ALA CA C 13 53.029 0.099 . . . . . A 66 ALA CA . 25083 1
782 . 1 1 66 66 ALA CB C 13 20.248 0.072 . . . . . A 66 ALA CB . 25083 1
783 . 1 1 66 66 ALA N N 15 120.932 0.044 . . . . . A 66 ALA N . 25083 1
784 . 1 1 67 67 GLN H H 1 8.012 0.008 . . . . . A 67 GLN H . 25083 1
785 . 1 1 67 67 GLN HA H 1 4.063 0.010 . . . . . A 67 GLN HA . 25083 1
786 . 1 1 67 67 GLN HB2 H 1 1.629 0.002 . . . . . A 67 GLN HB2 . 25083 1
787 . 1 1 67 67 GLN HB3 H 1 1.786 0.008 . . . . . A 67 GLN HB3 . 25083 1
788 . 1 1 67 67 GLN HG3 H 1 1.959 0.000 . . . . . A 67 GLN HG3 . 25083 1
789 . 1 1 67 67 GLN HE21 H 1 6.530 0.001 . . . . . A 67 GLN HE21 . 25083 1
790 . 1 1 67 67 GLN HE22 H 1 7.129 0.007 . . . . . A 67 GLN HE22 . 25083 1
791 . 1 1 67 67 GLN C C 13 173.521 0.000 . . . . . A 67 GLN C . 25083 1
792 . 1 1 67 67 GLN CA C 13 56.521 0.059 . . . . . A 67 GLN CA . 25083 1
793 . 1 1 67 67 GLN CB C 13 30.895 0.044 . . . . . A 67 GLN CB . 25083 1
794 . 1 1 67 67 GLN CG C 13 34.826 0.052 . . . . . A 67 GLN CG . 25083 1
795 . 1 1 67 67 GLN CD C 13 179.215 0.000 . . . . . A 67 GLN CD . 25083 1
796 . 1 1 67 67 GLN N N 15 120.242 0.023 . . . . . A 67 GLN N . 25083 1
797 . 1 1 67 67 GLN NE2 N 15 110.785 0.068 . . . . . A 67 GLN NE2 . 25083 1
798 . 1 1 68 68 ILE H H 1 8.449 0.009 . . . . . A 68 ILE H . 25083 1
799 . 1 1 68 68 ILE HA H 1 4.238 0.012 . . . . . A 68 ILE HA . 25083 1
800 . 1 1 68 68 ILE HB H 1 0.068 0.010 . . . . . A 68 ILE HB . 25083 1
801 . 1 1 68 68 ILE HG12 H 1 0.748 0.007 . . . . . A 68 ILE HG12 . 25083 1
802 . 1 1 68 68 ILE HG13 H 1 0.556 0.005 . . . . . A 68 ILE HG13 . 25083 1
803 . 1 1 68 68 ILE HG21 H 1 0.200 0.011 . . . . . A 68 ILE HG21 . 25083 1
804 . 1 1 68 68 ILE HG22 H 1 0.200 0.011 . . . . . A 68 ILE HG22 . 25083 1
805 . 1 1 68 68 ILE HG23 H 1 0.200 0.011 . . . . . A 68 ILE HG23 . 25083 1
806 . 1 1 68 68 ILE HD11 H 1 0.122 0.008 . . . . . A 68 ILE HD11 . 25083 1
807 . 1 1 68 68 ILE HD12 H 1 0.122 0.008 . . . . . A 68 ILE HD12 . 25083 1
808 . 1 1 68 68 ILE HD13 H 1 0.122 0.008 . . . . . A 68 ILE HD13 . 25083 1
809 . 1 1 68 68 ILE C C 13 174.480 0.000 . . . . . A 68 ILE C . 25083 1
810 . 1 1 68 68 ILE CA C 13 60.202 0.017 . . . . . A 68 ILE CA . 25083 1
811 . 1 1 68 68 ILE CB C 13 37.593 0.005 . . . . . A 68 ILE CB . 25083 1
812 . 1 1 68 68 ILE CG1 C 13 29.685 0.014 . . . . . A 68 ILE CG1 . 25083 1
813 . 1 1 68 68 ILE CG2 C 13 19.098 0.074 . . . . . A 68 ILE CG2 . 25083 1
814 . 1 1 68 68 ILE CD1 C 13 13.581 0.026 . . . . . A 68 ILE CD1 . 25083 1
815 . 1 1 68 68 ILE N N 15 127.033 0.035 . . . . . A 68 ILE N . 25083 1
816 . 1 1 69 69 ILE H H 1 8.420 0.008 . . . . . A 69 ILE H . 25083 1
817 . 1 1 69 69 ILE HA H 1 4.040 0.007 . . . . . A 69 ILE HA . 25083 1
818 . 1 1 69 69 ILE HB H 1 1.232 0.011 . . . . . A 69 ILE HB . 25083 1
819 . 1 1 69 69 ILE HG21 H 1 0.731 0.001 . . . . . A 69 ILE HG21 . 25083 1
820 . 1 1 69 69 ILE HG22 H 1 0.731 0.001 . . . . . A 69 ILE HG22 . 25083 1
821 . 1 1 69 69 ILE HG23 H 1 0.731 0.001 . . . . . A 69 ILE HG23 . 25083 1
822 . 1 1 69 69 ILE HD11 H 1 0.341 0.010 . . . . . A 69 ILE HD11 . 25083 1
823 . 1 1 69 69 ILE HD12 H 1 0.341 0.010 . . . . . A 69 ILE HD12 . 25083 1
824 . 1 1 69 69 ILE HD13 H 1 0.341 0.010 . . . . . A 69 ILE HD13 . 25083 1
825 . 1 1 69 69 ILE C C 13 174.319 0.000 . . . . . A 69 ILE C . 25083 1
826 . 1 1 69 69 ILE CA C 13 60.562 0.056 . . . . . A 69 ILE CA . 25083 1
827 . 1 1 69 69 ILE CB C 13 39.195 0.077 . . . . . A 69 ILE CB . 25083 1
828 . 1 1 69 69 ILE CG1 C 13 28.600 0.000 . . . . . A 69 ILE CG1 . 25083 1
829 . 1 1 69 69 ILE CG2 C 13 19.000 0.040 . . . . . A 69 ILE CG2 . 25083 1
830 . 1 1 69 69 ILE CD1 C 13 13.344 0.082 . . . . . A 69 ILE CD1 . 25083 1
831 . 1 1 69 69 ILE N N 15 127.650 0.025 . . . . . A 69 ILE N . 25083 1
832 . 1 1 70 70 VAL H H 1 8.488 0.008 . . . . . A 70 VAL H . 25083 1
833 . 1 1 70 70 VAL HA H 1 4.927 0.014 . . . . . A 70 VAL HA . 25083 1
834 . 1 1 70 70 VAL HB H 1 2.045 0.009 . . . . . A 70 VAL HB . 25083 1
835 . 1 1 70 70 VAL HG11 H 1 0.927 0.001 . . . . . A 70 VAL HG11 . 25083 1
836 . 1 1 70 70 VAL HG12 H 1 0.927 0.001 . . . . . A 70 VAL HG12 . 25083 1
837 . 1 1 70 70 VAL HG13 H 1 0.927 0.001 . . . . . A 70 VAL HG13 . 25083 1
838 . 1 1 70 70 VAL HG21 H 1 0.726 0.000 . . . . . A 70 VAL HG21 . 25083 1
839 . 1 1 70 70 VAL HG22 H 1 0.726 0.000 . . . . . A 70 VAL HG22 . 25083 1
840 . 1 1 70 70 VAL HG23 H 1 0.726 0.000 . . . . . A 70 VAL HG23 . 25083 1
841 . 1 1 70 70 VAL C C 13 179.142 0.000 . . . . . A 70 VAL C . 25083 1
842 . 1 1 70 70 VAL CA C 13 62.143 0.042 . . . . . A 70 VAL CA . 25083 1
843 . 1 1 70 70 VAL CB C 13 32.400 0.025 . . . . . A 70 VAL CB . 25083 1
844 . 1 1 70 70 VAL CG1 C 13 23.582 0.004 . . . . . A 70 VAL CG1 . 25083 1
845 . 1 1 70 70 VAL CG2 C 13 22.917 0.011 . . . . . A 70 VAL CG2 . 25083 1
846 . 1 1 70 70 VAL N N 15 126.516 0.043 . . . . . A 70 VAL N . 25083 1
847 . 1 1 71 71 THR H H 1 9.037 0.010 . . . . . A 71 THR H . 25083 1
848 . 1 1 71 71 THR HA H 1 4.179 0.011 . . . . . A 71 THR HA . 25083 1
849 . 1 1 71 71 THR HB H 1 4.327 0.009 . . . . . A 71 THR HB . 25083 1
850 . 1 1 71 71 THR HG21 H 1 1.212 0.010 . . . . . A 71 THR HG21 . 25083 1
851 . 1 1 71 71 THR HG22 H 1 1.212 0.010 . . . . . A 71 THR HG22 . 25083 1
852 . 1 1 71 71 THR HG23 H 1 1.212 0.010 . . . . . A 71 THR HG23 . 25083 1
853 . 1 1 71 71 THR C C 13 173.984 0.000 . . . . . A 71 THR C . 25083 1
854 . 1 1 71 71 THR CA C 13 63.991 0.097 . . . . . A 71 THR CA . 25083 1
855 . 1 1 71 71 THR CB C 13 70.379 0.042 . . . . . A 71 THR CB . 25083 1
856 . 1 1 71 71 THR CG2 C 13 23.501 0.020 . . . . . A 71 THR CG2 . 25083 1
857 . 1 1 71 71 THR N N 15 118.368 0.014 . . . . . A 71 THR N . 25083 1
858 . 1 1 72 72 ASP H H 1 7.881 0.013 . . . . . A 72 ASP H . 25083 1
859 . 1 1 72 72 ASP HA H 1 4.418 0.011 . . . . . A 72 ASP HA . 25083 1
860 . 1 1 72 72 ASP HB2 H 1 2.588 0.000 . . . . . A 72 ASP HB2 . 25083 1
861 . 1 1 72 72 ASP HB3 H 1 2.798 0.010 . . . . . A 72 ASP HB3 . 25083 1
862 . 1 1 72 72 ASP C C 13 180.432 0.000 . . . . . A 72 ASP C . 25083 1
863 . 1 1 72 72 ASP CA C 13 55.638 0.021 . . . . . A 72 ASP CA . 25083 1
864 . 1 1 72 72 ASP CB C 13 42.768 0.000 . . . . . A 72 ASP CB . 25083 1
865 . 1 1 72 72 ASP N N 15 127.938 0.024 . . . . . A 72 ASP N . 25083 1
stop_
save_