Content for NMR-STAR saveframe, "assigned_chemical_shifts_1"
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 34044
_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 $chem_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' . . . 34044 1
2 '2D 1H-13C HSQC aliphatic' . . . 34044 1
3 '2D 1H-13C HSQC aromatic' . . . 34044 1
4 '3D HNCO' . . . 34044 1
5 '3D C(CO)NH' . . . 34044 1
6 '3D CBCA(CO)NH' . . . 34044 1
9 '3D HCCH-TOCSY' . . . 34044 1
10 '3D HBHA(CO)NH' . . . 34044 1
11 '3D HNCACB' . . . 34044 1
12 '3D HNCA' . . . 34044 1
13 '3D HN(CO)CA' . . . 34044 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 $software_3 . . 34044 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.Ambiguity_set_ID
_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 FME H H 1 8.619 0.01 . 1 . . . . . 1 FME H . 34044 1
2 . 1 1 1 1 FME C C 13 177 0.1 . 1 . . . . . 1 FME C . 34044 1
3 . 1 1 1 1 FME N N 15 130.064 0.1 . 1 . . . . . 1 FME N . 34044 1
4 . 1 1 1 1 FME CA C 13 55.914 0.1 . 1 . . . . . 1 FME CA . 34044 1
5 . 1 1 1 1 FME CB C 13 31.477 0.1 . 1 . . . . . 1 FME CB . 34044 1
6 . 1 1 1 1 FME CE C 13 16.259 0.1 . 1 . . . . . 1 FME CE . 34044 1
7 . 1 1 1 1 FME CG C 13 32.068 0.1 . 1 . . . . . 1 FME CG . 34044 1
8 . 1 1 1 1 FME HA H 1 4.197 0.01 . 1 . . . . . 1 FME HA . 34044 1
9 . 1 1 1 1 FME HB2 H 1 1.973 0.01 . 2 . . . . . 1 FME HB2 . 34044 1
10 . 1 1 1 1 FME HB3 H 1 1.586 0.01 . 2 . . . . . 1 FME HB3 . 34044 1
11 . 1 1 1 1 FME HG2 H 1 2.418 0.01 . 2 . . . . . 1 FME HG2 . 34044 1
12 . 1 1 1 1 FME HG3 H 1 2.297 0.01 . 2 . . . . . 1 FME HG3 . 34044 1
13 . 1 1 1 1 FME HE1 H 1 1.345 0.01 . 1 . . . . . 1 FME QE . 34044 1
14 . 1 1 1 1 FME HE2 H 1 1.345 0.01 . 1 . . . . . 1 FME QE . 34044 1
15 . 1 1 1 1 FME HE3 H 1 1.345 0.01 . 1 . . . . . 1 FME QE . 34044 1
16 . 1 1 2 2 ALA H H 1 8.711 0.01 . 1 . . . . . 2 ALA H . 34044 1
17 . 1 1 2 2 ALA HA H 1 4.034 0.01 . 1 . . . . . 2 ALA HA . 34044 1
18 . 1 1 2 2 ALA HB1 H 1 1.438 0.01 . 1 . . . . . 2 ALA HB1 . 34044 1
19 . 1 1 2 2 ALA HB2 H 1 1.438 0.01 . 1 . . . . . 2 ALA HB2 . 34044 1
20 . 1 1 2 2 ALA HB3 H 1 1.438 0.01 . 1 . . . . . 2 ALA HB3 . 34044 1
21 . 1 1 2 2 ALA C C 13 181.4 0.1 . 1 . . . . . 2 ALA C . 34044 1
22 . 1 1 2 2 ALA CA C 13 56.035 0.1 . 1 . . . . . 2 ALA CA . 34044 1
23 . 1 1 2 2 ALA CB C 13 17.752 0.1 . 1 . . . . . 2 ALA CB . 34044 1
24 . 1 1 2 2 ALA N N 15 121.503 0.1 . 1 . . . . . 2 ALA N . 34044 1
25 . 1 1 3 3 GLY H H 1 8.601 0.01 . 1 . . . . . 3 GLY H . 34044 1
26 . 1 1 3 3 GLY HA2 H 1 4.006 0.01 . 2 . . . . . 3 GLY HA2 . 34044 1
27 . 1 1 3 3 GLY HA3 H 1 3.788 0.01 . 2 . . . . . 3 GLY HA3 . 34044 1
28 . 1 1 3 3 GLY CA C 13 46.887 0.1 . 1 . . . . . 3 GLY CA . 34044 1
29 . 1 1 3 3 GLY N N 15 106.451 0.1 . 1 . . . . . 3 GLY N . 34044 1
30 . 1 1 4 4 LEU H H 1 7.699 0.01 . 1 . . . . . 4 LEU H . 34044 1
31 . 1 1 4 4 LEU HA H 1 3.082 0.01 . 1 . . . . . 4 LEU HA . 34044 1
32 . 1 1 4 4 LEU HB2 H 1 1.902 0.01 . 2 . . . . . 4 LEU HB2 . 34044 1
33 . 1 1 4 4 LEU HB3 H 1 1.218 0.01 . 2 . . . . . 4 LEU HB3 . 34044 1
34 . 1 1 4 4 LEU HG H 1 1.353 0.01 . 1 . . . . . 4 LEU HG . 34044 1
35 . 1 1 4 4 LEU HD11 H 1 0.977 0.01 . 2 . . . . . 4 LEU HD11 . 34044 1
36 . 1 1 4 4 LEU HD12 H 1 0.977 0.01 . 2 . . . . . 4 LEU HD12 . 34044 1
37 . 1 1 4 4 LEU HD13 H 1 0.977 0.01 . 2 . . . . . 4 LEU HD13 . 34044 1
38 . 1 1 4 4 LEU HD21 H 1 0.641 0.01 . 2 . . . . . 4 LEU HD21 . 34044 1
39 . 1 1 4 4 LEU HD22 H 1 0.641 0.01 . 2 . . . . . 4 LEU HD22 . 34044 1
40 . 1 1 4 4 LEU HD23 H 1 0.641 0.01 . 2 . . . . . 4 LEU HD23 . 34044 1
41 . 1 1 4 4 LEU C C 13 178.6 0.1 . 1 . . . . . 4 LEU C . 34044 1
42 . 1 1 4 4 LEU CA C 13 57.416 0.1 . 1 . . . . . 4 LEU CA . 34044 1
43 . 1 1 4 4 LEU CB C 13 40.571 0.1 . 1 . . . . . 4 LEU CB . 34044 1
44 . 1 1 4 4 LEU CG C 13 27.285 0.1 . 1 . . . . . 4 LEU CG . 34044 1
45 . 1 1 4 4 LEU CD1 C 13 27.360 0.1 . 2 . . . . . 4 LEU CD1 . 34044 1
46 . 1 1 4 4 LEU CD2 C 13 23.016 0.1 . 2 . . . . . 4 LEU CD2 . 34044 1
47 . 1 1 4 4 LEU N N 15 124.857 0.1 . 1 . . . . . 4 LEU N . 34044 1
48 . 1 1 5 5 LEU H H 1 8.641 0.01 . 1 . . . . . 5 LEU H . 34044 1
49 . 1 1 5 5 LEU HA H 1 3.977 0.01 . 1 . . . . . 5 LEU HA . 34044 1
50 . 1 1 5 5 LEU HB2 H 1 2.079 0.01 . 2 . . . . . 5 LEU HB2 . 34044 1
51 . 1 1 5 5 LEU HB3 H 1 1.621 0.01 . 2 . . . . . 5 LEU HB3 . 34044 1
52 . 1 1 5 5 LEU HG H 1 1.813 0.01 . 1 . . . . . 5 LEU HG . 34044 1
53 . 1 1 5 5 LEU HD11 H 1 0.821 0.01 . 2 . . . . . 5 LEU HD11 . 34044 1
54 . 1 1 5 5 LEU HD12 H 1 0.821 0.01 . 2 . . . . . 5 LEU HD12 . 34044 1
55 . 1 1 5 5 LEU HD13 H 1 0.821 0.01 . 2 . . . . . 5 LEU HD13 . 34044 1
56 . 1 1 5 5 LEU HD21 H 1 0.655 0.01 . 2 . . . . . 5 LEU HD21 . 34044 1
57 . 1 1 5 5 LEU HD22 H 1 0.655 0.01 . 2 . . . . . 5 LEU HD22 . 34044 1
58 . 1 1 5 5 LEU HD23 H 1 0.655 0.01 . 2 . . . . . 5 LEU HD23 . 34044 1
59 . 1 1 5 5 LEU C C 13 179 0.1 . 1 . . . . . 5 LEU C . 34044 1
60 . 1 1 5 5 LEU CA C 13 58.851 0.1 . 1 . . . . . 5 LEU CA . 34044 1
61 . 1 1 5 5 LEU CB C 13 40.821 0.1 . 1 . . . . . 5 LEU CB . 34044 1
62 . 1 1 5 5 LEU CG C 13 27.019 0.1 . 1 . . . . . 5 LEU CG . 34044 1
63 . 1 1 5 5 LEU CD1 C 13 25.711 0.1 . 2 . . . . . 5 LEU CD1 . 34044 1
64 . 1 1 5 5 LEU CD2 C 13 22.266 0.1 . 2 . . . . . 5 LEU CD2 . 34044 1
65 . 1 1 5 5 LEU N N 15 118.968 0.1 . 1 . . . . . 5 LEU N . 34044 1
66 . 1 1 6 6 ARG H H 1 7.723 0.01 . 1 . . . . . 6 ARG H . 34044 1
67 . 1 1 6 6 ARG HA H 1 3.997 0.01 . 1 . . . . . 6 ARG HA . 34044 1
68 . 1 1 6 6 ARG HB2 H 1 1.955 0.01 . 2 . . . . . 6 ARG HB2 . 34044 1
69 . 1 1 6 6 ARG HB3 H 1 1.955 0.01 . 2 . . . . . 6 ARG HB3 . 34044 1
70 . 1 1 6 6 ARG HG2 H 1 1.845 0.01 . 2 . . . . . 6 ARG HG2 . 34044 1
71 . 1 1 6 6 ARG HG3 H 1 1.635 0.01 . 2 . . . . . 6 ARG HG3 . 34044 1
72 . 1 1 6 6 ARG HD2 H 1 3.295 0.01 . 2 . . . . . 6 ARG HD2 . 34044 1
73 . 1 1 6 6 ARG HD3 H 1 3.212 0.01 . 2 . . . . . 6 ARG HD3 . 34044 1
74 . 1 1 6 6 ARG C C 13 179.1 0.1 . 1 . . . . . 6 ARG C . 34044 1
75 . 1 1 6 6 ARG CA C 13 59.925 0.1 . 1 . . . . . 6 ARG CA . 34044 1
76 . 1 1 6 6 ARG CB C 13 30.360 0.1 . 1 . . . . . 6 ARG CB . 34044 1
77 . 1 1 6 6 ARG CG C 13 27.779 0.1 . 1 . . . . . 6 ARG CG . 34044 1
78 . 1 1 6 6 ARG CD C 13 43.512 0.1 . 1 . . . . . 6 ARG CD . 34044 1
79 . 1 1 6 6 ARG N N 15 118.106 0.1 . 1 . . . . . 6 ARG N . 34044 1
80 . 1 1 7 7 PHE H H 1 7.800 0.01 . 1 . . . . . 7 PHE H . 34044 1
81 . 1 1 7 7 PHE HA H 1 4.308 0.01 . 1 . . . . . 7 PHE HA . 34044 1
82 . 1 1 7 7 PHE HB2 H 1 3.290 0.01 . 2 . . . . . 7 PHE HB2 . 34044 1
83 . 1 1 7 7 PHE HB3 H 1 3.164 0.01 . 2 . . . . . 7 PHE HB3 . 34044 1
84 . 1 1 7 7 PHE HD1 H 1 7.137 0.01 . 3 . . . . . 7 PHE HD1 . 34044 1
85 . 1 1 7 7 PHE HD2 H 1 7.137 0.01 . 3 . . . . . 7 PHE HD2 . 34044 1
86 . 1 1 7 7 PHE HE1 H 1 7.231 0.01 . 3 . . . . . 7 PHE HE1 . 34044 1
87 . 1 1 7 7 PHE HE2 H 1 7.231 0.01 . 3 . . . . . 7 PHE HE2 . 34044 1
88 . 1 1 7 7 PHE C C 13 178.5 0.1 . 1 . . . . . 7 PHE C . 34044 1
89 . 1 1 7 7 PHE CA C 13 60.936 0.1 . 1 . . . . . 7 PHE CA . 34044 1
90 . 1 1 7 7 PHE CB C 13 38.939 0.1 . 1 . . . . . 7 PHE CB . 34044 1
91 . 1 1 7 7 PHE CD1 C 13 132.252 0.1 . 3 . . . . . 7 PHE CD1 . 34044 1
92 . 1 1 7 7 PHE CD2 C 13 132.252 0.1 . 3 . . . . . 7 PHE CD2 . 34044 1
93 . 1 1 7 7 PHE CE1 C 13 129.664 0.1 . 3 . . . . . 7 PHE CE1 . 34044 1
94 . 1 1 7 7 PHE CE2 C 13 129.664 0.1 . 3 . . . . . 7 PHE CE2 . 34044 1
95 . 1 1 7 7 PHE CZ C 13 131.824 0.1 . 1 . . . . . 7 PHE CZ . 34044 1
96 . 1 1 7 7 PHE N N 15 121.547 0.1 . 1 . . . . . 7 PHE N . 34044 1
97 . 1 1 8 8 LEU H H 1 9.255 0.01 . 1 . . . . . 8 LEU H . 34044 1
98 . 1 1 8 8 LEU HA H 1 3.634 0.01 . 1 . . . . . 8 LEU HA . 34044 1
99 . 1 1 8 8 LEU HB2 H 1 2.028 0.01 . 2 . . . . . 8 LEU HB2 . 34044 1
100 . 1 1 8 8 LEU HB3 H 1 1.214 0.01 . 2 . . . . . 8 LEU HB3 . 34044 1
101 . 1 1 8 8 LEU HG H 1 2.116 0.01 . 1 . . . . . 8 LEU HG . 34044 1
102 . 1 1 8 8 LEU HD11 H 1 0.799 0.01 . 2 . . . . . 8 LEU HD11 . 34044 1
103 . 1 1 8 8 LEU HD12 H 1 0.799 0.01 . 2 . . . . . 8 LEU HD12 . 34044 1
104 . 1 1 8 8 LEU HD13 H 1 0.799 0.01 . 2 . . . . . 8 LEU HD13 . 34044 1
105 . 1 1 8 8 LEU HD21 H 1 0.813 0.01 . 2 . . . . . 8 LEU HD21 . 34044 1
106 . 1 1 8 8 LEU HD22 H 1 0.813 0.01 . 2 . . . . . 8 LEU HD22 . 34044 1
107 . 1 1 8 8 LEU HD23 H 1 0.813 0.01 . 2 . . . . . 8 LEU HD23 . 34044 1
108 . 1 1 8 8 LEU C C 13 178.4 0.1 . 1 . . . . . 8 LEU C . 34044 1
109 . 1 1 8 8 LEU CA C 13 58.090 0.1 . 1 . . . . . 8 LEU CA . 34044 1
110 . 1 1 8 8 LEU CB C 13 41.296 0.1 . 1 . . . . . 8 LEU CB . 34044 1
111 . 1 1 8 8 LEU CG C 13 26.247 0.1 . 1 . . . . . 8 LEU CG . 34044 1
112 . 1 1 8 8 LEU CD1 C 13 27.542 0.1 . 2 . . . . . 8 LEU CD1 . 34044 1
113 . 1 1 8 8 LEU CD2 C 13 21.268 0.1 . 2 . . . . . 8 LEU CD2 . 34044 1
114 . 1 1 8 8 LEU N N 15 120.147 0.1 . 1 . . . . . 8 LEU N . 34044 1
115 . 1 1 9 9 LEU H H 1 8.442 0.01 . 1 . . . . . 9 LEU H . 34044 1
116 . 1 1 9 9 LEU HA H 1 3.772 0.01 . 1 . . . . . 9 LEU HA . 34044 1
117 . 1 1 9 9 LEU HB2 H 1 1.628 0.01 . 2 . . . . . 9 LEU HB2 . 34044 1
118 . 1 1 9 9 LEU HB3 H 1 1.350 0.01 . 2 . . . . . 9 LEU HB3 . 34044 1
119 . 1 1 9 9 LEU HG H 1 1.294 0.01 . 1 . . . . . 9 LEU HG . 34044 1
120 . 1 1 9 9 LEU HD11 H 1 0.378 0.01 . 2 . . . . . 9 LEU HD11 . 34044 1
121 . 1 1 9 9 LEU HD12 H 1 0.378 0.01 . 2 . . . . . 9 LEU HD12 . 34044 1
122 . 1 1 9 9 LEU HD13 H 1 0.378 0.01 . 2 . . . . . 9 LEU HD13 . 34044 1
123 . 1 1 9 9 LEU HD21 H 1 0.356 0.01 . 2 . . . . . 9 LEU HD21 . 34044 1
124 . 1 1 9 9 LEU HD22 H 1 0.356 0.01 . 2 . . . . . 9 LEU HD22 . 34044 1
125 . 1 1 9 9 LEU HD23 H 1 0.356 0.01 . 2 . . . . . 9 LEU HD23 . 34044 1
126 . 1 1 9 9 LEU CA C 13 58.186 0.1 . 1 . . . . . 9 LEU CA . 34044 1
127 . 1 1 9 9 LEU CB C 13 40.998 0.1 . 1 . . . . . 9 LEU CB . 34044 1
128 . 1 1 9 9 LEU CG C 13 26.504 0.1 . 1 . . . . . 9 LEU CG . 34044 1
129 . 1 1 9 9 LEU CD1 C 13 24.712 0.1 . 2 . . . . . 9 LEU CD1 . 34044 1
130 . 1 1 9 9 LEU CD2 C 13 22.164 0.1 . 2 . . . . . 9 LEU CD2 . 34044 1
131 . 1 1 9 9 LEU N N 15 118.279 0.1 . 1 . . . . . 9 LEU N . 34044 1
132 . 1 1 10 10 SER H H 1 7.375 0.01 . 1 . . . . . 10 SER H . 34044 1
133 . 1 1 10 10 SER HA H 1 4.173 0.01 . 1 . . . . . 10 SER HA . 34044 1
134 . 1 1 10 10 SER HB2 H 1 3.916 0.01 . 1 . . . . . 10 SER HB2 . 34044 1
135 . 1 1 10 10 SER HB3 H 1 3.916 0.01 . 1 . . . . . 10 SER HB3 . 34044 1
136 . 1 1 10 10 SER C C 13 174.9 0.1 . 1 . . . . . 10 SER C . 34044 1
137 . 1 1 10 10 SER CA C 13 60.749 0.1 . 1 . . . . . 10 SER CA . 34044 1
138 . 1 1 10 10 SER CB C 13 63.093 0.1 . 1 . . . . . 10 SER CB . 34044 1
139 . 1 1 10 10 SER N N 15 112.631 0.1 . 1 . . . . . 10 SER N . 34044 1
140 . 1 1 11 11 LYS H H 1 7.273 0.01 . 1 . . . . . 11 LYS H . 34044 1
141 . 1 1 11 11 LYS HA H 1 4.344 0.01 . 1 . . . . . 11 LYS HA . 34044 1
142 . 1 1 11 11 LYS HB2 H 1 1.801 0.01 . 2 . . . . . 11 LYS HB2 . 34044 1
143 . 1 1 11 11 LYS HB3 H 1 1.676 0.01 . 2 . . . . . 11 LYS HB3 . 34044 1
144 . 1 1 11 11 LYS HG2 H 1 0.979 0.01 . 2 . . . . . 11 LYS HG2 . 34044 1
145 . 1 1 11 11 LYS HG3 H 1 0.572 0.01 . 2 . . . . . 11 LYS HG3 . 34044 1
146 . 1 1 11 11 LYS HD2 H 1 1.312 0.01 . 1 . . . . . 11 LYS HD2 . 34044 1
147 . 1 1 11 11 LYS HD3 H 1 1.312 0.01 . 1 . . . . . 11 LYS HD3 . 34044 1
148 . 1 1 11 11 LYS HE2 H 1 2.694 0.01 . 2 . . . . . 11 LYS HE2 . 34044 1
149 . 1 1 11 11 LYS HE3 H 1 2.399 0.01 . 2 . . . . . 11 LYS HE3 . 34044 1
150 . 1 1 11 11 LYS C C 13 177.3 0.1 . 1 . . . . . 11 LYS C . 34044 1
151 . 1 1 11 11 LYS CA C 13 54.871 0.1 . 1 . . . . . 11 LYS CA . 34044 1
152 . 1 1 11 11 LYS CB C 13 32.060 0.1 . 1 . . . . . 11 LYS CB . 34044 1
153 . 1 1 11 11 LYS CG C 13 23.202 0.1 . 1 . . . . . 11 LYS CG . 34044 1
154 . 1 1 11 11 LYS CD C 13 27.203 0.1 . 1 . . . . . 11 LYS CD . 34044 1
155 . 1 1 11 11 LYS CE C 13 42.603 0.1 . 1 . . . . . 11 LYS CE . 34044 1
156 . 1 1 11 11 LYS N N 15 120.132 0.1 . 1 . . . . . 11 LYS N . 34044 1
157 . 1 1 12 12 GLY H H 1 8.178 0.01 . 1 . . . . . 12 GLY H . 34044 1
158 . 1 1 12 12 GLY HA2 H 1 4.277 0.01 . 2 . . . . . 12 GLY HA2 . 34044 1
159 . 1 1 12 12 GLY HA3 H 1 3.934 0.01 . 2 . . . . . 12 GLY HA3 . 34044 1
160 . 1 1 12 12 GLY CA C 13 46.939 0.1 . 1 . . . . . 12 GLY CA . 34044 1
161 . 1 1 12 12 GLY N N 15 108.907 0.1 . 1 . . . . . 12 GLY N . 34044 1
162 . 1 1 13 13 ARG H H 1 9.150 0.01 . 1 . . . . . 13 ARG H . 34044 1
163 . 1 1 13 13 ARG HA H 1 3.958 0.01 . 1 . . . . . 13 ARG HA . 34044 1
164 . 1 1 13 13 ARG HB2 H 1 1.925 0.01 . 1 . . . . . 13 ARG HB2 . 34044 1
165 . 1 1 13 13 ARG HB3 H 1 1.925 0.01 . 1 . . . . . 13 ARG HB3 . 34044 1
166 . 1 1 13 13 ARG HG2 H 1 1.762 0.01 . 2 . . . . . 13 ARG HG2 . 34044 1
167 . 1 1 13 13 ARG HG3 H 1 1.667 0.01 . 2 . . . . . 13 ARG HG3 . 34044 1
168 . 1 1 13 13 ARG HD2 H 1 3.250 0.01 . 2 . . . . . 13 ARG HD2 . 34044 1
169 . 1 1 13 13 ARG HD3 H 1 3.209 0.01 . 2 . . . . . 13 ARG HD3 . 34044 1
170 . 1 1 13 13 ARG C C 13 177.6 0.1 . 1 . . . . . 13 ARG C . 34044 1
171 . 1 1 13 13 ARG CA C 13 59.789 0.1 . 1 . . . . . 13 ARG CA . 34044 1
172 . 1 1 13 13 ARG CB C 13 29.557 0.1 . 1 . . . . . 13 ARG CB . 34044 1
173 . 1 1 13 13 ARG CG C 13 27.352 0.1 . 1 . . . . . 13 ARG CG . 34044 1
174 . 1 1 13 13 ARG CD C 13 42.744 0.1 . 1 . . . . . 13 ARG CD . 34044 1
175 . 1 1 13 13 ARG N N 15 129.320 0.1 . 1 . . . . . 13 ARG N . 34044 1
176 . 1 1 14 14 ALA H H 1 9.220 0.01 . 1 . . . . . 14 ALA H . 34044 1
177 . 1 1 14 14 ALA HA H 1 4.266 0.01 . 1 . . . . . 14 ALA HA . 34044 1
178 . 1 1 14 14 ALA HB1 H 1 1.607 0.01 . 1 . . . . . 14 ALA HB1 . 34044 1
179 . 1 1 14 14 ALA HB2 H 1 1.607 0.01 . 1 . . . . . 14 ALA HB2 . 34044 1
180 . 1 1 14 14 ALA HB3 H 1 1.607 0.01 . 1 . . . . . 14 ALA HB3 . 34044 1
181 . 1 1 14 14 ALA C C 13 180.9 0.1 . 1 . . . . . 14 ALA C . 34044 1
182 . 1 1 14 14 ALA CA C 13 55.514 0.1 . 1 . . . . . 14 ALA CA . 34044 1
183 . 1 1 14 14 ALA CB C 13 18.902 0.1 . 1 . . . . . 14 ALA CB . 34044 1
184 . 1 1 14 14 ALA N N 15 119.189 0.1 . 1 . . . . . 14 ALA N . 34044 1
185 . 1 1 15 15 LEU H H 1 7.363 0.01 . 1 . . . . . 15 LEU H . 34044 1
186 . 1 1 15 15 LEU HA H 1 3.999 0.01 . 1 . . . . . 15 LEU HA . 34044 1
187 . 1 1 15 15 LEU HB2 H 1 2.146 0.01 . 2 . . . . . 15 LEU HB2 . 34044 1
188 . 1 1 15 15 LEU HB3 H 1 1.339 0.01 . 2 . . . . . 15 LEU HB3 . 34044 1
189 . 1 1 15 15 LEU HG H 1 1.527 0.01 . 1 . . . . . 15 LEU HG . 34044 1
190 . 1 1 15 15 LEU HD11 H 1 0.839 0.01 . 2 . . . . . 15 LEU HD11 . 34044 1
191 . 1 1 15 15 LEU HD12 H 1 0.839 0.01 . 2 . . . . . 15 LEU HD12 . 34044 1
192 . 1 1 15 15 LEU HD13 H 1 0.839 0.01 . 2 . . . . . 15 LEU HD13 . 34044 1
193 . 1 1 15 15 LEU HD21 H 1 0.546 0.01 . 2 . . . . . 15 LEU HD21 . 34044 1
194 . 1 1 15 15 LEU HD22 H 1 0.546 0.01 . 2 . . . . . 15 LEU HD22 . 34044 1
195 . 1 1 15 15 LEU HD23 H 1 0.546 0.01 . 2 . . . . . 15 LEU HD23 . 34044 1
196 . 1 1 15 15 LEU C C 13 178.2 0.1 . 1 . . . . . 15 LEU C . 34044 1
197 . 1 1 15 15 LEU CA C 13 57.837 0.1 . 1 . . . . . 15 LEU CA . 34044 1
198 . 1 1 15 15 LEU CB C 13 42.310 0.1 . 1 . . . . . 15 LEU CB . 34044 1
199 . 1 1 15 15 LEU CG C 13 28.052 0.1 . 1 . . . . . 15 LEU CG . 34044 1
200 . 1 1 15 15 LEU CD1 C 13 26.376 0.1 . 2 . . . . . 15 LEU CD1 . 34044 1
201 . 1 1 15 15 LEU CD2 C 13 24.316 0.1 . 2 . . . . . 15 LEU CD2 . 34044 1
202 . 1 1 15 15 LEU N N 15 116.256 0.1 . 1 . . . . . 15 LEU N . 34044 1
203 . 1 1 16 16 TYR H H 1 7.041 0.01 . 1 . . . . . 16 TYR H . 34044 1
204 . 1 1 16 16 TYR HA H 1 3.926 0.01 . 1 . . . . . 16 TYR HA . 34044 1
205 . 1 1 16 16 TYR HB2 H 1 3.182 0.01 . 2 . . . . . 16 TYR HB2 . 34044 1
206 . 1 1 16 16 TYR HB3 H 1 2.679 0.01 . 2 . . . . . 16 TYR HB3 . 34044 1
207 . 1 1 16 16 TYR HD1 H 1 7.226 0.01 . 3 . . . . . 16 TYR HD1 . 34044 1
208 . 1 1 16 16 TYR HD2 H 1 7.235 0.01 . 3 . . . . . 16 TYR HD2 . 34044 1
209 . 1 1 16 16 TYR HE1 H 1 6.800 0.01 . 3 . . . . . 16 TYR HE1 . 34044 1
210 . 1 1 16 16 TYR HE2 H 1 6.800 0.01 . 3 . . . . . 16 TYR HE2 . 34044 1
211 . 1 1 16 16 TYR C C 13 176 0.1 . 1 . . . . . 16 TYR C . 34044 1
212 . 1 1 16 16 TYR CA C 13 61.525 0.1 . 1 . . . . . 16 TYR CA . 34044 1
213 . 1 1 16 16 TYR CB C 13 39.038 0.1 . 1 . . . . . 16 TYR CB . 34044 1
214 . 1 1 16 16 TYR CD1 C 13 134.403 0.1 . 3 . . . . . 16 TYR CD1 . 34044 1
215 . 1 1 16 16 TYR CD2 C 13 134.422 0.1 . 3 . . . . . 16 TYR CD2 . 34044 1
216 . 1 1 16 16 TYR CE1 C 13 118.177 0.1 . 3 . . . . . 16 TYR CE1 . 34044 1
217 . 1 1 16 16 TYR CE2 C 13 118.177 0.1 . 3 . . . . . 16 TYR CE2 . 34044 1
218 . 1 1 16 16 TYR N N 15 120.070 0.1 . 1 . . . . . 16 TYR N . 34044 1
219 . 1 1 17 17 ASN H H 1 9.110 0.01 . 1 . . . . . 17 ASN H . 34044 1
220 . 1 1 17 17 ASN HA H 1 4.230 0.01 . 1 . . . . . 17 ASN HA . 34044 1
221 . 1 1 17 17 ASN HB2 H 1 2.887 0.01 . 1 . . . . . 17 ASN HB2 . 34044 1
222 . 1 1 17 17 ASN HB3 H 1 2.887 0.01 . 1 . . . . . 17 ASN HB3 . 34044 1
223 . 1 1 17 17 ASN C C 13 178.7 0.1 . 1 . . . . . 17 ASN C . 34044 1
224 . 1 1 17 17 ASN CA C 13 55.617 0.1 . 1 . . . . . 17 ASN CA . 34044 1
225 . 1 1 17 17 ASN CB C 13 37.423 0.1 . 1 . . . . . 17 ASN CB . 34044 1
226 . 1 1 17 17 ASN N N 15 117.232 0.1 . 1 . . . . . 17 ASN N . 34044 1
227 . 1 1 18 18 TRP H H 1 7.991 0.01 . 1 . . . . . 18 TRP H . 34044 1
228 . 1 1 18 18 TRP HA H 1 4.129 0.01 . 1 . . . . . 18 TRP HA . 34044 1
229 . 1 1 18 18 TRP HB2 H 1 3.378 0.01 . 2 . . . . . 18 TRP HB2 . 34044 1
230 . 1 1 18 18 TRP HB3 H 1 3.271 0.01 . 2 . . . . . 18 TRP HB3 . 34044 1
231 . 1 1 18 18 TRP HD1 H 1 7.176 0.01 . 1 . . . . . 18 TRP HD1 . 34044 1
232 . 1 1 18 18 TRP HE1 H 1 10.205 0.01 . 1 . . . . . 18 TRP HE1 . 34044 1
233 . 1 1 18 18 TRP HZ2 H 1 7.509 0.01 . 1 . . . . . 18 TRP HZ2 . 34044 1
234 . 1 1 18 18 TRP HH2 H 1 7.298 0.01 . 1 . . . . . 18 TRP HH2 . 34044 1
235 . 1 1 18 18 TRP C C 13 180.5 0.1 . 1 . . . . . 18 TRP C . 34044 1
236 . 1 1 18 18 TRP CA C 13 62.900 0.1 . 1 . . . . . 18 TRP CA . 34044 1
237 . 1 1 18 18 TRP CB C 13 29.859 0.1 . 1 . . . . . 18 TRP CB . 34044 1
238 . 1 1 18 18 TRP CD1 C 13 127.653 0.1 . 1 . . . . . 18 TRP CD1 . 34044 1
239 . 1 1 18 18 TRP CZ2 C 13 114.761 0.1 . 1 . . . . . 18 TRP CZ2 . 34044 1
240 . 1 1 18 18 TRP CH2 C 13 124.763 0.1 . 1 . . . . . 18 TRP CH2 . 34044 1
241 . 1 1 18 18 TRP N N 15 121.787 0.1 . 1 . . . . . 18 TRP N . 34044 1
242 . 1 1 18 18 TRP NE1 N 15 128.198 0.1 . 1 . . . . . 18 TRP NE1 . 34044 1
243 . 1 1 19 19 ALA H H 1 8.365 0.01 . 1 . . . . . 19 ALA H . 34044 1
244 . 1 1 19 19 ALA HA H 1 3.980 0.01 . 1 . . . . . 19 ALA HA . 34044 1
245 . 1 1 19 19 ALA HB1 H 1 1.426 0.01 . 1 . . . . . 19 ALA HB1 . 34044 1
246 . 1 1 19 19 ALA HB2 H 1 1.426 0.01 . 1 . . . . . 19 ALA HB2 . 34044 1
247 . 1 1 19 19 ALA HB3 H 1 1.426 0.01 . 1 . . . . . 19 ALA HB3 . 34044 1
248 . 1 1 19 19 ALA C C 13 179.1 0.1 . 1 . . . . . 19 ALA C . 34044 1
249 . 1 1 19 19 ALA CA C 13 56.099 0.1 . 1 . . . . . 19 ALA CA . 34044 1
250 . 1 1 19 19 ALA CB C 13 18.486 0.1 . 1 . . . . . 19 ALA CB . 34044 1
251 . 1 1 19 19 ALA N N 15 122.597 0.1 . 1 . . . . . 19 ALA N . 34044 1
252 . 1 1 20 20 LYS H H 1 7.984 0.01 . 1 . . . . . 20 LYS H . 34044 1
253 . 1 1 20 20 LYS HA H 1 3.700 0.01 . 1 . . . . . 20 LYS HA . 34044 1
254 . 1 1 20 20 LYS HB2 H 1 1.579 0.01 . 2 . . . . . 20 LYS HB2 . 34044 1
255 . 1 1 20 20 LYS HB3 H 1 1.472 0.01 . 2 . . . . . 20 LYS HB3 . 34044 1
256 . 1 1 20 20 LYS HG2 H 1 1.096 0.01 . 2 . . . . . 20 LYS HG2 . 34044 1
257 . 1 1 20 20 LYS HG3 H 1 1.014 0.01 . 2 . . . . . 20 LYS HG3 . 34044 1
258 . 1 1 20 20 LYS HD2 H 1 1.314 0.01 . 1 . . . . . 20 LYS HD2 . 34044 1
259 . 1 1 20 20 LYS HD3 H 1 1.314 0.01 . 1 . . . . . 20 LYS HD3 . 34044 1
260 . 1 1 20 20 LYS C C 13 177.9 0.1 . 1 . . . . . 20 LYS C . 34044 1
261 . 1 1 20 20 LYS CA C 13 58.289 0.1 . 1 . . . . . 20 LYS CA . 34044 1
262 . 1 1 20 20 LYS CB C 13 31.258 0.1 . 1 . . . . . 20 LYS CB . 34044 1
263 . 1 1 20 20 LYS CG C 13 24.298 0.1 . 1 . . . . . 20 LYS CG . 34044 1
264 . 1 1 20 20 LYS CD C 13 28.287 0.1 . 1 . . . . . 20 LYS CD . 34044 1
265 . 1 1 20 20 LYS N N 15 114.365 0.1 . 1 . . . . . 20 LYS N . 34044 1
266 . 1 1 21 21 SER H H 1 7.394 0.01 . 1 . . . . . 21 SER H . 34044 1
267 . 1 1 21 21 SER HA H 1 4.314 0.01 . 1 . . . . . 21 SER HA . 34044 1
268 . 1 1 21 21 SER HB2 H 1 3.565 0.01 . 2 . . . . . 21 SER HB2 . 34044 1
269 . 1 1 21 21 SER HB3 H 1 3.659 0.01 . 2 . . . . . 21 SER HB3 . 34044 1
270 . 1 1 21 21 SER C C 13 173.8 0.1 . 1 . . . . . 21 SER C . 34044 1
271 . 1 1 21 21 SER CA C 13 58.530 0.1 . 1 . . . . . 21 SER CA . 34044 1
272 . 1 1 21 21 SER CB C 13 63.868 0.1 . 1 . . . . . 21 SER CB . 34044 1
273 . 1 1 21 21 SER N N 15 111.141 0.1 . 1 . . . . . 21 SER N . 34044 1
274 . 1 1 22 22 HIS H H 1 7.306 0.01 . 1 . . . . . 22 HIS H . 34044 1
275 . 1 1 22 22 HIS HA H 1 4.426 0.01 . 1 . . . . . 22 HIS HA . 34044 1
276 . 1 1 22 22 HIS HB2 H 1 2.489 0.01 . 2 . . . . . 22 HIS HB2 . 34044 1
277 . 1 1 22 22 HIS HB3 H 1 1.617 0.01 . 2 . . . . . 22 HIS HB3 . 34044 1
278 . 1 1 22 22 HIS HD2 H 1 6.623 0.01 . 1 . . . . . 22 HIS HD2 . 34044 1
279 . 1 1 22 22 HIS HE1 H 1 7.740 0.01 . 1 . . . . . 22 HIS HE1 . 34044 1
280 . 1 1 22 22 HIS C C 13 174.2 0.1 . 1 . . . . . 22 HIS C . 34044 1
281 . 1 1 22 22 HIS CA C 13 54.613 0.1 . 1 . . . . . 22 HIS CA . 34044 1
282 . 1 1 22 22 HIS CB C 13 26.938 0.1 . 1 . . . . . 22 HIS CB . 34044 1
283 . 1 1 22 22 HIS CD2 C 13 118.349 0.1 . 1 . . . . . 22 HIS CD2 . 34044 1
284 . 1 1 22 22 HIS CE1 C 13 134.228 0.1 . 1 . . . . . 22 HIS CE1 . 34044 1
285 . 1 1 22 22 HIS N N 15 121.915 0.1 . 1 . . . . . 22 HIS N . 34044 1
286 . 1 1 23 23 VAL H H 1 7.377 0.01 . 1 . . . . . 23 VAL H . 34044 1
287 . 1 1 23 23 VAL HA H 1 3.538 0.01 . 1 . . . . . 23 VAL HA . 34044 1
288 . 1 1 23 23 VAL HB H 1 1.969 0.01 . 1 . . . . . 23 VAL HB . 34044 1
289 . 1 1 23 23 VAL HG11 H 1 0.977 0.01 . 2 . . . . . 23 VAL HG11 . 34044 1
290 . 1 1 23 23 VAL HG12 H 1 0.977 0.01 . 2 . . . . . 23 VAL HG12 . 34044 1
291 . 1 1 23 23 VAL HG13 H 1 0.977 0.01 . 2 . . . . . 23 VAL HG13 . 34044 1
292 . 1 1 23 23 VAL HG21 H 1 0.945 0.01 . 2 . . . . . 23 VAL HG21 . 34044 1
293 . 1 1 23 23 VAL HG22 H 1 0.945 0.01 . 2 . . . . . 23 VAL HG22 . 34044 1
294 . 1 1 23 23 VAL HG23 H 1 0.945 0.01 . 2 . . . . . 23 VAL HG23 . 34044 1
295 . 1 1 23 23 VAL C C 13 177 0.1 . 1 . . . . . 23 VAL C . 34044 1
296 . 1 1 23 23 VAL CA C 13 66.712 0.1 . 1 . . . . . 23 VAL CA . 34044 1
297 . 1 1 23 23 VAL CB C 13 31.943 0.1 . 1 . . . . . 23 VAL CB . 34044 1
298 . 1 1 23 23 VAL CG1 C 13 22.150 0.1 . 2 . . . . . 23 VAL CG1 . 34044 1
299 . 1 1 23 23 VAL CG2 C 13 20.851 0.1 . 2 . . . . . 23 VAL CG2 . 34044 1
300 . 1 1 23 23 VAL N N 15 120.228 0.1 . 1 . . . . . 23 VAL N . 34044 1
301 . 1 1 24 24 GLY H H 1 8.430 0.01 . 1 . . . . . 24 GLY H . 34044 1
302 . 1 1 24 24 GLY HA2 H 1 3.882 0.01 . 2 . . . . . 24 GLY HA2 . 34044 1
303 . 1 1 24 24 GLY HA3 H 1 3.793 0.01 . 2 . . . . . 24 GLY HA3 . 34044 1
304 . 1 1 24 24 GLY CA C 13 47.161 0.1 . 1 . . . . . 24 GLY CA . 34044 1
305 . 1 1 24 24 GLY N N 15 106.766 0.1 . 1 . . . . . 24 GLY N . 34044 1
306 . 1 1 25 25 LYS H H 1 7.446 0.01 . 1 . . . . . 25 LYS H . 34044 1
307 . 1 1 25 25 LYS HA H 1 3.806 0.01 . 1 . . . . . 25 LYS HA . 34044 1
308 . 1 1 25 25 LYS HB2 H 1 1.562 0.01 . 2 . . . . . 25 LYS HB2 . 34044 1
309 . 1 1 25 25 LYS HB3 H 1 1.326 0.01 . 2 . . . . . 25 LYS HB3 . 34044 1
310 . 1 1 25 25 LYS HG2 H 1 0.935 0.01 . 2 . . . . . 25 LYS HG2 . 34044 1
311 . 1 1 25 25 LYS HG3 H 1 0.321 0.01 . 2 . . . . . 25 LYS HG3 . 34044 1
312 . 1 1 25 25 LYS HD2 H 1 1.401 0.01 . 1 . . . . . 25 LYS HD2 . 34044 1
313 . 1 1 25 25 LYS HD3 H 1 1.401 0.01 . 1 . . . . . 25 LYS HD3 . 34044 1
314 . 1 1 25 25 LYS HE2 H 1 2.801 0.01 . 2 . . . . . 25 LYS HE2 . 34044 1
315 . 1 1 25 25 LYS HE3 H 1 2.757 0.01 . 2 . . . . . 25 LYS HE3 . 34044 1
316 . 1 1 25 25 LYS C C 13 177.1 0.1 . 1 . . . . . 25 LYS C . 34044 1
317 . 1 1 25 25 LYS CA C 13 57.268 0.1 . 1 . . . . . 25 LYS CA . 34044 1
318 . 1 1 25 25 LYS CB C 13 31.186 0.1 . 1 . . . . . 25 LYS CB . 34044 1
319 . 1 1 25 25 LYS CG C 13 22.917 0.1 . 1 . . . . . 25 LYS CG . 34044 1
320 . 1 1 25 25 LYS CD C 13 27.641 0.1 . 1 . . . . . 25 LYS CD . 34044 1
321 . 1 1 25 25 LYS CE C 13 41.779 0.1 . 1 . . . . . 25 LYS CE . 34044 1
322 . 1 1 25 25 LYS N N 15 123.035 0.1 . 1 . . . . . 25 LYS N . 34044 1
323 . 1 1 26 26 VAL H H 1 7.636 0.01 . 1 . . . . . 26 VAL H . 34044 1
324 . 1 1 26 26 VAL HA H 1 3.746 0.01 . 1 . . . . . 26 VAL HA . 34044 1
325 . 1 1 26 26 VAL HB H 1 2.071 0.01 . 1 . . . . . 26 VAL HB . 34044 1
326 . 1 1 26 26 VAL HG11 H 1 1.211 0.01 . 2 . . . . . 26 VAL HG11 . 34044 1
327 . 1 1 26 26 VAL HG12 H 1 1.211 0.01 . 2 . . . . . 26 VAL HG12 . 34044 1
328 . 1 1 26 26 VAL HG13 H 1 1.211 0.01 . 2 . . . . . 26 VAL HG13 . 34044 1
329 . 1 1 26 26 VAL HG21 H 1 1.012 0.01 . 2 . . . . . 26 VAL HG21 . 34044 1
330 . 1 1 26 26 VAL HG22 H 1 1.012 0.01 . 2 . . . . . 26 VAL HG22 . 34044 1
331 . 1 1 26 26 VAL HG23 H 1 1.012 0.01 . 2 . . . . . 26 VAL HG23 . 34044 1
332 . 1 1 26 26 VAL C C 13 178.4 0.1 . 1 . . . . . 26 VAL C . 34044 1
333 . 1 1 26 26 VAL CA C 13 66.412 0.1 . 1 . . . . . 26 VAL CA . 34044 1
334 . 1 1 26 26 VAL CB C 13 31.068 0.1 . 1 . . . . . 26 VAL CB . 34044 1
335 . 1 1 26 26 VAL CG1 C 13 23.662 0.1 . 2 . . . . . 26 VAL CG1 . 34044 1
336 . 1 1 26 26 VAL CG2 C 13 23.909 0.1 . 2 . . . . . 26 VAL CG2 . 34044 1
337 . 1 1 26 26 VAL N N 15 116.961 0.1 . 1 . . . . . 26 VAL N . 34044 1
338 . 1 1 27 27 TRP H H 1 8.865 0.01 . 1 . . . . . 27 TRP H . 34044 1
339 . 1 1 27 27 TRP HB2 H 1 3.374 0.01 . 2 . . . . . 27 TRP HB2 . 34044 1
340 . 1 1 27 27 TRP HB3 H 1 3.298 0.01 . 2 . . . . . 27 TRP HB3 . 34044 1
341 . 1 1 27 27 TRP HD1 H 1 7.183 0.01 . 1 . . . . . 27 TRP HD1 . 34044 1
342 . 1 1 27 27 TRP HE1 H 1 10.017 0.01 . 1 . . . . . 27 TRP HE1 . 34044 1
343 . 1 1 27 27 TRP HZ2 H 1 6.902 0.01 . 1 . . . . . 27 TRP HZ2 . 34044 1
344 . 1 1 27 27 TRP HH2 H 1 6.672 0.01 . 1 . . . . . 27 TRP HH2 . 34044 1
345 . 1 1 27 27 TRP C C 13 178.5 0.1 . 1 . . . . . 27 TRP C . 34044 1
346 . 1 1 27 27 TRP CB C 13 29.851 0.1 . 1 . . . . . 27 TRP CB . 34044 1
347 . 1 1 27 27 TRP CD1 C 13 127.493 0.1 . 1 . . . . . 27 TRP CD1 . 34044 1
348 . 1 1 27 27 TRP CZ2 C 13 114.232 0.1 . 1 . . . . . 27 TRP CZ2 . 34044 1
349 . 1 1 27 27 TRP CH2 C 13 123.752 0.1 . 1 . . . . . 27 TRP CH2 . 34044 1
350 . 1 1 27 27 TRP N N 15 119.913 0.1 . 1 . . . . . 27 TRP N . 34044 1
351 . 1 1 27 27 TRP NE1 N 15 129.916 0.1 . 1 . . . . . 27 TRP NE1 . 34044 1
352 . 1 1 28 28 GLU H H 1 7.643 0.01 . 1 . . . . . 28 GLU H . 34044 1
353 . 1 1 28 28 GLU HA H 1 3.961 0.01 . 1 . . . . . 28 GLU HA . 34044 1
354 . 1 1 28 28 GLU HB2 H 1 2.162 0.01 . 1 . . . . . 28 GLU HB2 . 34044 1
355 . 1 1 28 28 GLU HB3 H 1 2.162 0.01 . 1 . . . . . 28 GLU HB3 . 34044 1
356 . 1 1 28 28 GLU HG2 H 1 2.466 0.01 . 2 . . . . . 28 GLU HG2 . 34044 1
357 . 1 1 28 28 GLU HG3 H 1 2.236 0.01 . 2 . . . . . 28 GLU HG3 . 34044 1
358 . 1 1 28 28 GLU C C 13 180.5 0.1 . 1 . . . . . 28 GLU C . 34044 1
359 . 1 1 28 28 GLU CA C 13 59.803 0.1 . 1 . . . . . 28 GLU CA . 34044 1
360 . 1 1 28 28 GLU CB C 13 28.870 0.1 . 1 . . . . . 28 GLU CB . 34044 1
361 . 1 1 28 28 GLU CG C 13 35.772 0.1 . 1 . . . . . 28 GLU CG . 34044 1
362 . 1 1 28 28 GLU N N 15 118.976 0.1 . 1 . . . . . 28 GLU N . 34044 1
363 . 1 1 29 29 TRP H H 1 8.268 0.01 . 1 . . . . . 29 TRP H . 34044 1
364 . 1 1 29 29 TRP HB2 H 1 3.938 0.01 . 2 . . . . . 29 TRP HB2 . 34044 1
365 . 1 1 29 29 TRP HB3 H 1 3.166 0.01 . 2 . . . . . 29 TRP HB3 . 34044 1
366 . 1 1 29 29 TRP HD1 H 1 7.183 0.01 . 1 . . . . . 29 TRP HD1 . 34044 1
367 . 1 1 29 29 TRP HE1 H 1 9.652 0.01 . 1 . . . . . 29 TRP HE1 . 34044 1
368 . 1 1 29 29 TRP HZ2 H 1 7.308 0.01 . 1 . . . . . 29 TRP HZ2 . 34044 1
369 . 1 1 29 29 TRP HZ3 H 1 7.044 0.01 . 1 . . . . . 29 TRP HZ3 . 34044 1
370 . 1 1 29 29 TRP HH2 H 1 6.814 0.01 . 1 . . . . . 29 TRP HH2 . 34044 1
371 . 1 1 29 29 TRP C C 13 180.3 0.1 . 1 . . . . . 29 TRP C . 34044 1
372 . 1 1 29 29 TRP CB C 13 28.941 0.1 . 1 . . . . . 29 TRP CB . 34044 1
373 . 1 1 29 29 TRP CD1 C 13 124.756 0.1 . 1 . . . . . 29 TRP CD1 . 34044 1
374 . 1 1 29 29 TRP CZ2 C 13 114.454 0.1 . 1 . . . . . 29 TRP CZ2 . 34044 1
375 . 1 1 29 29 TRP CZ3 C 13 121.566 0.1 . 1 . . . . . 29 TRP CZ3 . 34044 1
376 . 1 1 29 29 TRP CH2 C 13 124.739 0.1 . 1 . . . . . 29 TRP CH2 . 34044 1
377 . 1 1 29 29 TRP N N 15 121.194 0.1 . 1 . . . . . 29 TRP N . 34044 1
378 . 1 1 29 29 TRP NE1 N 15 128.364 0.1 . 1 . . . . . 29 TRP NE1 . 34044 1
379 . 1 1 30 30 LEU H H 1 9.181 0.01 . 1 . . . . . 30 LEU H . 34044 1
380 . 1 1 30 30 LEU HA H 1 4.242 0.01 . 1 . . . . . 30 LEU HA . 34044 1
381 . 1 1 30 30 LEU HB2 H 1 2.075 0.01 . 2 . . . . . 30 LEU HB2 . 34044 1
382 . 1 1 30 30 LEU HB3 H 1 1.709 0.01 . 2 . . . . . 30 LEU HB3 . 34044 1
383 . 1 1 30 30 LEU HG H 1 1.770 0.01 . 1 . . . . . 30 LEU HG . 34044 1
384 . 1 1 30 30 LEU HD11 H 1 0.737 0.01 . 2 . . . . . 30 LEU HD11 . 34044 1
385 . 1 1 30 30 LEU HD12 H 1 0.737 0.01 . 2 . . . . . 30 LEU HD12 . 34044 1
386 . 1 1 30 30 LEU HD13 H 1 0.737 0.01 . 2 . . . . . 30 LEU HD13 . 34044 1
387 . 1 1 30 30 LEU HD21 H 1 0.969 0.01 . 2 . . . . . 30 LEU HD21 . 34044 1
388 . 1 1 30 30 LEU HD22 H 1 0.969 0.01 . 2 . . . . . 30 LEU HD22 . 34044 1
389 . 1 1 30 30 LEU HD23 H 1 0.969 0.01 . 2 . . . . . 30 LEU HD23 . 34044 1
390 . 1 1 30 30 LEU C C 13 181.8 0.1 . 1 . . . . . 30 LEU C . 34044 1
391 . 1 1 30 30 LEU CA C 13 58.679 0.1 . 1 . . . . . 30 LEU CA . 34044 1
392 . 1 1 30 30 LEU CB C 13 42.388 0.1 . 1 . . . . . 30 LEU CB . 34044 1
393 . 1 1 30 30 LEU CG C 13 27.080 0.1 . 1 . . . . . 30 LEU CG . 34044 1
394 . 1 1 30 30 LEU CD1 C 13 25.371 0.1 . 2 . . . . . 30 LEU CD1 . 34044 1
395 . 1 1 30 30 LEU CD2 C 13 23.682 0.1 . 2 . . . . . 30 LEU CD2 . 34044 1
396 . 1 1 30 30 LEU N N 15 122.683 0.1 . 1 . . . . . 30 LEU N . 34044 1
397 . 1 1 31 31 LYS H H 1 9.071 0.01 . 1 . . . . . 31 LYS H . 34044 1
398 . 1 1 31 31 LYS HA H 1 4.067 0.01 . 1 . . . . . 31 LYS HA . 34044 1
399 . 1 1 31 31 LYS HB2 H 1 1.805 0.01 . 1 . . . . . 31 LYS HB2 . 34044 1
400 . 1 1 31 31 LYS HB3 H 1 1.805 0.01 . 1 . . . . . 31 LYS HB3 . 34044 1
401 . 1 1 31 31 LYS HG2 H 1 1.538 0.01 . 2 . . . . . 31 LYS HG2 . 34044 1
402 . 1 1 31 31 LYS HG3 H 1 1.411 0.01 . 2 . . . . . 31 LYS HG3 . 34044 1
403 . 1 1 31 31 LYS HD2 H 1 1.558 0.01 . 1 . . . . . 31 LYS HD2 . 34044 1
404 . 1 1 31 31 LYS HD3 H 1 1.558 0.01 . 1 . . . . . 31 LYS HD3 . 34044 1
405 . 1 1 31 31 LYS HE2 H 1 2.801 0.01 . 2 . . . . . 31 LYS HE2 . 34044 1
406 . 1 1 31 31 LYS HE3 H 1 2.764 0.01 . 2 . . . . . 31 LYS HE3 . 34044 1
407 . 1 1 31 31 LYS C C 13 178.1 0.1 . 1 . . . . . 31 LYS C . 34044 1
408 . 1 1 31 31 LYS CA C 13 59.212 0.1 . 1 . . . . . 31 LYS CA . 34044 1
409 . 1 1 31 31 LYS CB C 13 31.998 0.1 . 1 . . . . . 31 LYS CB . 34044 1
410 . 1 1 31 31 LYS CG C 13 25.374 0.1 . 1 . . . . . 31 LYS CG . 34044 1
411 . 1 1 31 31 LYS CD C 13 29.162 0.1 . 1 . . . . . 31 LYS CD . 34044 1
412 . 1 1 31 31 LYS CE C 13 42.012 0.1 . 1 . . . . . 31 LYS CE . 34044 1
413 . 1 1 31 31 LYS N N 15 121.282 0.1 . 1 . . . . . 31 LYS N . 34044 1
414 . 1 1 32 32 SER H H 1 7.872 0.01 . 1 . . . . . 32 SER H . 34044 1
415 . 1 1 32 32 SER HA H 1 4.598 0.01 . 1 . . . . . 32 SER HA . 34044 1
416 . 1 1 32 32 SER HB2 H 1 4.299 0.01 . 2 . . . . . 32 SER HB2 . 34044 1
417 . 1 1 32 32 SER HB3 H 1 4.221 0.01 . 2 . . . . . 32 SER HB3 . 34044 1
418 . 1 1 32 32 SER C C 13 174.6 0.1 . 1 . . . . . 32 SER C . 34044 1
419 . 1 1 32 32 SER CA C 13 59.455 0.1 . 1 . . . . . 32 SER CA . 34044 1
420 . 1 1 32 32 SER CB C 13 64.252 0.1 . 1 . . . . . 32 SER CB . 34044 1
421 . 1 1 32 32 SER N N 15 113.381 0.1 . 1 . . . . . 32 SER N . 34044 1
422 . 1 1 33 33 GLY H H 1 7.921 0.01 . 1 . . . . . 33 GLY H . 34044 1
423 . 1 1 33 33 GLY HA2 H 1 4.338 0.01 . 2 . . . . . 33 GLY HA2 . 34044 1
424 . 1 1 33 33 GLY HA3 H 1 3.783 0.01 . 2 . . . . . 33 GLY HA3 . 34044 1
425 . 1 1 33 33 GLY CA C 13 45.229 0.1 . 1 . . . . . 33 GLY CA . 34044 1
426 . 1 1 33 33 GLY N N 15 108.699 0.1 . 1 . . . . . 33 GLY N . 34044 1
427 . 1 1 34 34 ALA H H 1 7.487 0.01 . 1 . . . . . 34 ALA H . 34044 1
428 . 1 1 34 34 ALA HA H 1 4.363 0.01 . 1 . . . . . 34 ALA HA . 34044 1
429 . 1 1 34 34 ALA HB1 H 1 1.246 0.01 . 1 . . . . . 34 ALA HB1 . 34044 1
430 . 1 1 34 34 ALA HB2 H 1 1.246 0.01 . 1 . . . . . 34 ALA HB2 . 34044 1
431 . 1 1 34 34 ALA HB3 H 1 1.246 0.01 . 1 . . . . . 34 ALA HB3 . 34044 1
432 . 1 1 34 34 ALA C C 13 177.1 0.1 . 1 . . . . . 34 ALA C . 34044 1
433 . 1 1 34 34 ALA CA C 13 52.450 0.1 . 1 . . . . . 34 ALA CA . 34044 1
434 . 1 1 34 34 ALA CB C 13 20.205 0.1 . 1 . . . . . 34 ALA CB . 34044 1
435 . 1 1 34 34 ALA N N 15 123.078 0.1 . 1 . . . . . 34 ALA N . 34044 1
436 . 1 1 35 35 THR H H 1 8.195 0.01 . 1 . . . . . 35 THR H . 34044 1
437 . 1 1 35 35 THR HA H 1 4.192 0.01 . 1 . . . . . 35 THR HA . 34044 1
438 . 1 1 35 35 THR HB H 1 4.517 0.01 . 1 . . . . . 35 THR HB . 34044 1
439 . 1 1 35 35 THR HG21 H 1 1.189 0.01 . 1 . . . . . 35 THR HG21 . 34044 1
440 . 1 1 35 35 THR HG22 H 1 1.189 0.01 . 1 . . . . . 35 THR HG22 . 34044 1
441 . 1 1 35 35 THR HG23 H 1 1.189 0.01 . 1 . . . . . 35 THR HG23 . 34044 1
442 . 1 1 35 35 THR C C 13 175.3 0.1 . 1 . . . . . 35 THR C . 34044 1
443 . 1 1 35 35 THR CA C 13 60.036 0.1 . 1 . . . . . 35 THR CA . 34044 1
444 . 1 1 35 35 THR CB C 13 70.850 0.1 . 1 . . . . . 35 THR CB . 34044 1
445 . 1 1 35 35 THR CG2 C 13 21.673 0.1 . 1 . . . . . 35 THR CG2 . 34044 1
446 . 1 1 35 35 THR N N 15 110.443 0.1 . 1 . . . . . 35 THR N . 34044 1
447 . 1 1 36 36 TYR H H 1 8.600 0.01 . 1 . . . . . 36 TYR H . 34044 1
448 . 1 1 36 36 TYR HA H 1 3.999 0.01 . 1 . . . . . 36 TYR HA . 34044 1
449 . 1 1 36 36 TYR HB2 H 1 2.234 0.01 . 2 . . . . . 36 TYR HB2 . 34044 1
450 . 1 1 36 36 TYR HB3 H 1 1.995 0.01 . 2 . . . . . 36 TYR HB3 . 34044 1
451 . 1 1 36 36 TYR HD1 H 1 6.486 0.01 . 3 . . . . . 36 TYR HD1 . 34044 1
452 . 1 1 36 36 TYR HD2 H 1 6.486 0.01 . 3 . . . . . 36 TYR HD2 . 34044 1
453 . 1 1 36 36 TYR HE1 H 1 6.647 0.01 . 3 . . . . . 36 TYR HE1 . 34044 1
454 . 1 1 36 36 TYR HE2 H 1 6.647 0.01 . 3 . . . . . 36 TYR HE2 . 34044 1
455 . 1 1 36 36 TYR C C 13 177.7 0.1 . 1 . . . . . 36 TYR C . 34044 1
456 . 1 1 36 36 TYR CA C 13 58.008 0.1 . 1 . . . . . 36 TYR CA . 34044 1
457 . 1 1 36 36 TYR CB C 13 34.156 0.1 . 1 . . . . . 36 TYR CB . 34044 1
458 . 1 1 36 36 TYR CD1 C 13 130.845 0.1 . 3 . . . . . 36 TYR CD1 . 34044 1
459 . 1 1 36 36 TYR CD2 C 13 130.845 0.1 . 3 . . . . . 36 TYR CD2 . 34044 1
460 . 1 1 36 36 TYR CE1 C 13 118.105 0.1 . 3 . . . . . 36 TYR CE1 . 34044 1
461 . 1 1 36 36 TYR CE2 C 13 118.105 0.1 . 3 . . . . . 36 TYR CE2 . 34044 1
462 . 1 1 36 36 TYR N N 15 119.208 0.1 . 1 . . . . . 36 TYR N . 34044 1
463 . 1 1 37 37 GLU H H 1 8.050 0.01 . 1 . . . . . 37 GLU H . 34044 1
464 . 1 1 37 37 GLU HA H 1 3.911 0.01 . 1 . . . . . 37 GLU HA . 34044 1
465 . 1 1 37 37 GLU HB2 H 1 1.856 0.01 . 2 . . . . . 37 GLU HB2 . 34044 1
466 . 1 1 37 37 GLU HB3 H 1 1.746 0.01 . 2 . . . . . 37 GLU HB3 . 34044 1
467 . 1 1 37 37 GLU HG2 H 1 2.353 0.01 . 2 . . . . . 37 GLU HG2 . 34044 1
468 . 1 1 37 37 GLU HG3 H 1 2.164 0.01 . 2 . . . . . 37 GLU HG3 . 34044 1
469 . 1 1 37 37 GLU C C 13 178.5 0.1 . 1 . . . . . 37 GLU C . 34044 1
470 . 1 1 37 37 GLU CA C 13 59.453 0.1 . 1 . . . . . 37 GLU CA . 34044 1
471 . 1 1 37 37 GLU CB C 13 28.631 0.1 . 1 . . . . . 37 GLU CB . 34044 1
472 . 1 1 37 37 GLU CG C 13 35.375 0.1 . 1 . . . . . 37 GLU CG . 34044 1
473 . 1 1 37 37 GLU N N 15 116.754 0.1 . 1 . . . . . 37 GLU N . 34044 1
474 . 1 1 38 38 GLN H H 1 7.505 0.01 . 1 . . . . . 38 GLN H . 34044 1
475 . 1 1 38 38 GLN HA H 1 3.234 0.01 . 1 . . . . . 38 GLN HA . 34044 1
476 . 1 1 38 38 GLN HB2 H 1 1.576 0.01 . 2 . . . . . 38 GLN HB2 . 34044 1
477 . 1 1 38 38 GLN HB3 H 1 0.560 0.01 . 2 . . . . . 38 GLN HB3 . 34044 1
478 . 1 1 38 38 GLN HG2 H 1 1.644 0.01 . 2 . . . . . 38 GLN HG2 . 34044 1
479 . 1 1 38 38 GLN HG3 H 1 1.386 0.01 . 2 . . . . . 38 GLN HG3 . 34044 1
480 . 1 1 38 38 GLN C C 13 176.8 0.1 . 1 . . . . . 38 GLN C . 34044 1
481 . 1 1 38 38 GLN CA C 13 58.322 0.1 . 1 . . . . . 38 GLN CA . 34044 1
482 . 1 1 38 38 GLN CB C 13 28.337 0.1 . 1 . . . . . 38 GLN CB . 34044 1
483 . 1 1 38 38 GLN CG C 13 34.250 0.1 . 1 . . . . . 38 GLN CG . 34044 1
484 . 1 1 38 38 GLN N N 15 120.128 0.1 . 1 . . . . . 38 GLN N . 34044 1
485 . 1 1 39 39 ILE H H 1 7.678 0.01 . 1 . . . . . 39 ILE H . 34044 1
486 . 1 1 39 39 ILE HA H 1 2.989 0.01 . 1 . . . . . 39 ILE HA . 34044 1
487 . 1 1 39 39 ILE HB H 1 1.815 0.01 . 1 . . . . . 39 ILE HB . 34044 1
488 . 1 1 39 39 ILE HG12 H 1 1.614 0.01 . 2 . . . . . 39 ILE HG12 . 34044 1
489 . 1 1 39 39 ILE HG13 H 1 1.049 0.01 . 2 . . . . . 39 ILE HG13 . 34044 1
490 . 1 1 39 39 ILE HG21 H 1 1.238 0.01 . 1 . . . . . 39 ILE HG21 . 34044 1
491 . 1 1 39 39 ILE HG22 H 1 1.238 0.01 . 1 . . . . . 39 ILE HG22 . 34044 1
492 . 1 1 39 39 ILE HG23 H 1 1.238 0.01 . 1 . . . . . 39 ILE HG23 . 34044 1
493 . 1 1 39 39 ILE HD11 H 1 0.904 0.01 . 1 . . . . . 39 ILE HD11 . 34044 1
494 . 1 1 39 39 ILE HD12 H 1 0.904 0.01 . 1 . . . . . 39 ILE HD12 . 34044 1
495 . 1 1 39 39 ILE HD13 H 1 0.904 0.01 . 1 . . . . . 39 ILE HD13 . 34044 1
496 . 1 1 39 39 ILE C C 13 176.9 0.1 . 1 . . . . . 39 ILE C . 34044 1
497 . 1 1 39 39 ILE CA C 13 65.818 0.1 . 1 . . . . . 39 ILE CA . 34044 1
498 . 1 1 39 39 ILE CB C 13 37.643 0.1 . 1 . . . . . 39 ILE CB . 34044 1
499 . 1 1 39 39 ILE CG1 C 13 30.028 0.1 . 1 . . . . . 39 ILE CG1 . 34044 1
500 . 1 1 39 39 ILE CG2 C 13 17.694 0.1 . 1 . . . . . 39 ILE CG2 . 34044 1
501 . 1 1 39 39 ILE CD1 C 13 14.709 0.1 . 1 . . . . . 39 ILE CD1 . 34044 1
502 . 1 1 39 39 ILE N N 15 117.847 0.1 . 1 . . . . . 39 ILE N . 34044 1
503 . 1 1 40 40 LYS H H 1 8.292 0.01 . 1 . . . . . 40 LYS H . 34044 1
504 . 1 1 40 40 LYS HA H 1 3.536 0.01 . 1 . . . . . 40 LYS HA . 34044 1
505 . 1 1 40 40 LYS HB2 H 1 2.133 0.01 . 2 . . . . . 40 LYS HB2 . 34044 1
506 . 1 1 40 40 LYS HB3 H 1 1.863 0.01 . 2 . . . . . 40 LYS HB3 . 34044 1
507 . 1 1 40 40 LYS HG2 H 1 1.229 0.01 . 1 . . . . . 40 LYS HG2 . 34044 1
508 . 1 1 40 40 LYS HG3 H 1 1.229 0.01 . 1 . . . . . 40 LYS HG3 . 34044 1
509 . 1 1 40 40 LYS HD2 H 1 1.606 0.01 . 2 . . . . . 40 LYS HD2 . 34044 1
510 . 1 1 40 40 LYS HD3 H 1 1.541 0.01 . 2 . . . . . 40 LYS HD3 . 34044 1
511 . 1 1 40 40 LYS HE2 H 1 2.873 0.01 . 2 . . . . . 40 LYS HE2 . 34044 1
512 . 1 1 40 40 LYS HE3 H 1 2.822 0.01 . 2 . . . . . 40 LYS HE3 . 34044 1
513 . 1 1 40 40 LYS C C 13 177.2 0.1 . 1 . . . . . 40 LYS C . 34044 1
514 . 1 1 40 40 LYS CA C 13 60.715 0.1 . 1 . . . . . 40 LYS CA . 34044 1
515 . 1 1 40 40 LYS CB C 13 32.294 0.1 . 1 . . . . . 40 LYS CB . 34044 1
516 . 1 1 40 40 LYS CG C 13 24.079 0.1 . 1 . . . . . 40 LYS CG . 34044 1
517 . 1 1 40 40 LYS CD C 13 29.820 0.1 . 1 . . . . . 40 LYS CD . 34044 1
518 . 1 1 40 40 LYS CE C 13 41.492 0.1 . 1 . . . . . 40 LYS CE . 34044 1
519 . 1 1 40 40 LYS N N 15 119.178 0.1 . 1 . . . . . 40 LYS N . 34044 1
520 . 1 1 41 41 GLU H H 1 7.455 0.01 . 1 . . . . . 41 GLU H . 34044 1
521 . 1 1 41 41 GLU HA H 1 3.891 0.01 . 1 . . . . . 41 GLU HA . 34044 1
522 . 1 1 41 41 GLU HB2 H 1 1.829 0.01 . 1 . . . . . 41 GLU HB2 . 34044 1
523 . 1 1 41 41 GLU HB3 H 1 1.829 0.01 . 1 . . . . . 41 GLU HB3 . 34044 1
524 . 1 1 41 41 GLU HG2 H 1 2.425 0.01 . 2 . . . . . 41 GLU HG2 . 34044 1
525 . 1 1 41 41 GLU HG3 H 1 2.134 0.01 . 2 . . . . . 41 GLU HG3 . 34044 1
526 . 1 1 41 41 GLU C C 13 179.9 0.1 . 1 . . . . . 41 GLU C . 34044 1
527 . 1 1 41 41 GLU CA C 13 59.145 0.1 . 1 . . . . . 41 GLU CA . 34044 1
528 . 1 1 41 41 GLU CB C 13 28.384 0.1 . 1 . . . . . 41 GLU CB . 34044 1
529 . 1 1 41 41 GLU CG C 13 35.327 0.1 . 1 . . . . . 41 GLU CG . 34044 1
530 . 1 1 41 41 GLU N N 15 118.044 0.1 . 1 . . . . . 41 GLU N . 34044 1
531 . 1 1 42 42 TRP H H 1 8.145 0.01 . 1 . . . . . 42 TRP H . 34044 1
532 . 1 1 42 42 TRP HA H 1 4.421 0.01 . 1 . . . . . 42 TRP HA . 34044 1
533 . 1 1 42 42 TRP HB2 H 1 2.476 0.01 . 2 . . . . . 42 TRP HB2 . 34044 1
534 . 1 1 42 42 TRP HB3 H 1 2.442 0.01 . 2 . . . . . 42 TRP HB3 . 34044 1
535 . 1 1 42 42 TRP HD1 H 1 6.770 0.01 . 1 . . . . . 42 TRP HD1 . 34044 1
536 . 1 1 42 42 TRP HE1 H 1 9.806 0.01 . 1 . . . . . 42 TRP HE1 . 34044 1
537 . 1 1 42 42 TRP HE3 H 1 5.184 0.01 . 1 . . . . . 42 TRP HE3 . 34044 1
538 . 1 1 42 42 TRP HZ2 H 1 7.171 0.01 . 1 . . . . . 42 TRP HZ2 . 34044 1
539 . 1 1 42 42 TRP HZ3 H 1 6.055 0.01 . 1 . . . . . 42 TRP HZ3 . 34044 1
540 . 1 1 42 42 TRP HH2 H 1 6.885 0.01 . 1 . . . . . 42 TRP HH2 . 34044 1
541 . 1 1 42 42 TRP C C 13 180.3 0.1 . 1 . . . . . 42 TRP C . 34044 1
542 . 1 1 42 42 TRP CA C 13 58.000 0.1 . 1 . . . . . 42 TRP CA . 34044 1
543 . 1 1 42 42 TRP CB C 13 27.703 0.1 . 1 . . . . . 42 TRP CB . 34044 1
544 . 1 1 42 42 TRP CD1 C 13 123.859 0.1 . 1 . . . . . 42 TRP CD1 . 34044 1
545 . 1 1 42 42 TRP CE3 C 13 119.000 0.1 . 1 . . . . . 42 TRP CE3 . 34044 1
546 . 1 1 42 42 TRP CZ2 C 13 113.710 0.1 . 1 . . . . . 42 TRP CZ2 . 34044 1
547 . 1 1 42 42 TRP CZ3 C 13 120.814 0.1 . 1 . . . . . 42 TRP CZ3 . 34044 1
548 . 1 1 42 42 TRP CH2 C 13 124.259 0.1 . 1 . . . . . 42 TRP CH2 . 34044 1
549 . 1 1 42 42 TRP N N 15 121.632 0.1 . 1 . . . . . 42 TRP N . 34044 1
550 . 1 1 42 42 TRP NE1 N 15 127.525 0.1 . 1 . . . . . 42 TRP NE1 . 34044 1
551 . 1 1 43 43 ILE H H 1 8.636 0.01 . 1 . . . . . 43 ILE H . 34044 1
552 . 1 1 43 43 ILE HA H 1 2.721 0.01 . 1 . . . . . 43 ILE HA . 34044 1
553 . 1 1 43 43 ILE HB H 1 1.622 0.01 . 1 . . . . . 43 ILE HB . 34044 1
554 . 1 1 43 43 ILE HG12 H 1 0.839 0.01 . 2 . . . . . 43 ILE HG12 . 34044 1
555 . 1 1 43 43 ILE HG13 H 1 0.829 0.01 . 2 . . . . . 43 ILE HG13 . 34044 1
556 . 1 1 43 43 ILE HG21 H 1 0.503 0.01 . 1 . . . . . 43 ILE HG21 . 34044 1
557 . 1 1 43 43 ILE HG22 H 1 0.503 0.01 . 1 . . . . . 43 ILE HG22 . 34044 1
558 . 1 1 43 43 ILE HG23 H 1 0.503 0.01 . 1 . . . . . 43 ILE HG23 . 34044 1
559 . 1 1 43 43 ILE HD11 H 1 1.013 0.01 . 1 . . . . . 43 ILE HD11 . 34044 1
560 . 1 1 43 43 ILE HD12 H 1 1.013 0.01 . 1 . . . . . 43 ILE HD12 . 34044 1
561 . 1 1 43 43 ILE HD13 H 1 1.013 0.01 . 1 . . . . . 43 ILE HD13 . 34044 1
562 . 1 1 43 43 ILE C C 13 177.1 0.1 . 1 . . . . . 43 ILE C . 34044 1
563 . 1 1 43 43 ILE CA C 13 66.092 0.1 . 1 . . . . . 43 ILE CA . 34044 1
564 . 1 1 43 43 ILE CB C 13 37.323 0.1 . 1 . . . . . 43 ILE CB . 34044 1
565 . 1 1 43 43 ILE CG1 C 13 28.676 0.1 . 1 . . . . . 43 ILE CG1 . 34044 1
566 . 1 1 43 43 ILE CG2 C 13 17.498 0.1 . 1 . . . . . 43 ILE CG2 . 34044 1
567 . 1 1 43 43 ILE CD1 C 13 16.268 0.1 . 1 . . . . . 43 ILE CD1 . 34044 1
568 . 1 1 43 43 ILE N N 15 123.677 0.1 . 1 . . . . . 43 ILE N . 34044 1
569 . 1 1 44 44 GLU H H 1 8.236 0.01 . 1 . . . . . 44 GLU H . 34044 1
570 . 1 1 44 44 GLU HA H 1 3.222 0.01 . 1 . . . . . 44 GLU HA . 34044 1
571 . 1 1 44 44 GLU HB2 H 1 2.271 0.01 . 2 . . . . . 44 GLU HB2 . 34044 1
572 . 1 1 44 44 GLU HB3 H 1 1.894 0.01 . 2 . . . . . 44 GLU HB3 . 34044 1
573 . 1 1 44 44 GLU HG2 H 1 2.548 0.01 . 2 . . . . . 44 GLU HG2 . 34044 1
574 . 1 1 44 44 GLU HG3 H 1 2.014 0.01 . 2 . . . . . 44 GLU HG3 . 34044 1
575 . 1 1 44 44 GLU C C 13 179.3 0.1 . 1 . . . . . 44 GLU C . 34044 1
576 . 1 1 44 44 GLU CA C 13 60.353 0.1 . 1 . . . . . 44 GLU CA . 34044 1
577 . 1 1 44 44 GLU CB C 13 28.689 0.1 . 1 . . . . . 44 GLU CB . 34044 1
578 . 1 1 44 44 GLU CG C 13 36.915 0.1 . 1 . . . . . 44 GLU CG . 34044 1
579 . 1 1 44 44 GLU N N 15 119.333 0.1 . 1 . . . . . 44 GLU N . 34044 1
580 . 1 1 45 45 ASN H H 1 8.176 0.01 . 1 . . . . . 45 ASN H . 34044 1
581 . 1 1 45 45 ASN HA H 1 4.493 0.01 . 1 . . . . . 45 ASN HA . 34044 1
582 . 1 1 45 45 ASN HB2 H 1 2.919 0.01 . 2 . . . . . 45 ASN HB2 . 34044 1
583 . 1 1 45 45 ASN HB3 H 1 2.781 0.01 . 2 . . . . . 45 ASN HB3 . 34044 1
584 . 1 1 45 45 ASN C C 13 178.3 0.1 . 1 . . . . . 45 ASN C . 34044 1
585 . 1 1 45 45 ASN CA C 13 56.169 0.1 . 1 . . . . . 45 ASN CA . 34044 1
586 . 1 1 45 45 ASN CB C 13 38.814 0.1 . 1 . . . . . 45 ASN CB . 34044 1
587 . 1 1 45 45 ASN N N 15 116.671 0.1 . 1 . . . . . 45 ASN N . 34044 1
588 . 1 1 46 46 ALA H H 1 7.680 0.01 . 1 . . . . . 46 ALA H . 34044 1
589 . 1 1 46 46 ALA HA H 1 3.957 0.01 . 1 . . . . . 46 ALA HA . 34044 1
590 . 1 1 46 46 ALA HB1 H 1 0.998 0.01 . 1 . . . . . 46 ALA HB1 . 34044 1
591 . 1 1 46 46 ALA HB2 H 1 0.998 0.01 . 1 . . . . . 46 ALA HB2 . 34044 1
592 . 1 1 46 46 ALA HB3 H 1 0.998 0.01 . 1 . . . . . 46 ALA HB3 . 34044 1
593 . 1 1 46 46 ALA C C 13 180 0.1 . 1 . . . . . 46 ALA C . 34044 1
594 . 1 1 46 46 ALA CA C 13 54.967 0.1 . 1 . . . . . 46 ALA CA . 34044 1
595 . 1 1 46 46 ALA CB C 13 17.588 0.1 . 1 . . . . . 46 ALA CB . 34044 1
596 . 1 1 46 46 ALA N N 15 125.185 0.1 . 1 . . . . . 46 ALA N . 34044 1
597 . 1 1 47 47 LEU H H 1 7.733 0.01 . 1 . . . . . 47 LEU H . 34044 1
598 . 1 1 47 47 LEU HA H 1 3.986 0.01 . 1 . . . . . 47 LEU HA . 34044 1
599 . 1 1 47 47 LEU HB2 H 1 1.036 0.01 . 2 . . . . . 47 LEU HB2 . 34044 1
600 . 1 1 47 47 LEU HB3 H 1 0.924 0.01 . 2 . . . . . 47 LEU HB3 . 34044 1
601 . 1 1 47 47 LEU HG H 1 1.130 0.01 . 1 . . . . . 47 LEU HG . 34044 1
602 . 1 1 47 47 LEU HD21 H 1 0.416 0.01 . 2 . . . . . 47 LEU HD21 . 34044 1
603 . 1 1 47 47 LEU HD22 H 1 0.416 0.01 . 2 . . . . . 47 LEU HD22 . 34044 1
604 . 1 1 47 47 LEU HD23 H 1 0.416 0.01 . 2 . . . . . 47 LEU HD23 . 34044 1
605 . 1 1 47 47 LEU C C 13 177.6 0.1 . 1 . . . . . 47 LEU C . 34044 1
606 . 1 1 47 47 LEU CA C 13 55.335 0.1 . 1 . . . . . 47 LEU CA . 34044 1
607 . 1 1 47 47 LEU CB C 13 42.328 0.1 . 1 . . . . . 47 LEU CB . 34044 1
608 . 1 1 47 47 LEU CG C 13 25.915 0.1 . 1 . . . . . 47 LEU CG . 34044 1
609 . 1 1 47 47 LEU CD2 C 13 24.621 0.1 . 2 . . . . . 47 LEU CD2 . 34044 1
610 . 1 1 47 47 LEU N N 15 116.969 0.1 . 1 . . . . . 47 LEU N . 34044 1
611 . 1 1 48 48 GLY H H 1 7.777 0.01 . 1 . . . . . 48 GLY H . 34044 1
612 . 1 1 48 48 GLY HA2 H 1 4.132 0.01 . 2 . . . . . 48 GLY HA2 . 34044 1
613 . 1 1 48 48 GLY HA3 H 1 3.923 0.01 . 2 . . . . . 48 GLY HA3 . 34044 1
614 . 1 1 48 48 GLY CA C 13 45.641 0.1 . 1 . . . . . 48 GLY CA . 34044 1
615 . 1 1 48 48 GLY N N 15 107.154 0.1 . 1 . . . . . 48 GLY N . 34044 1
616 . 1 1 49 49 TRP H H 1 8.115 0.01 . 1 . . . . . 49 TRP H . 34044 1
617 . 1 1 49 49 TRP HA H 1 4.704 0.01 . 1 . . . . . 49 TRP HA . 34044 1
618 . 1 1 49 49 TRP HB2 H 1 3.293 0.01 . 2 . . . . . 49 TRP HB2 . 34044 1
619 . 1 1 49 49 TRP HB3 H 1 3.050 0.01 . 2 . . . . . 49 TRP HB3 . 34044 1
620 . 1 1 49 49 TRP HD1 H 1 6.885 0.01 . 1 . . . . . 49 TRP HD1 . 34044 1
621 . 1 1 49 49 TRP HE1 H 1 10.041 0.01 . 1 . . . . . 49 TRP HE1 . 34044 1
622 . 1 1 49 49 TRP HZ2 H 1 7.381 0.01 . 1 . . . . . 49 TRP HZ2 . 34044 1
623 . 1 1 49 49 TRP HH2 H 1 7.154 0.01 . 1 . . . . . 49 TRP HH2 . 34044 1
624 . 1 1 49 49 TRP C C 13 175.4 0.1 . 1 . . . . . 49 TRP C . 34044 1
625 . 1 1 49 49 TRP CA C 13 56.645 0.1 . 1 . . . . . 49 TRP CA . 34044 1
626 . 1 1 49 49 TRP CB C 13 29.639 0.1 . 1 . . . . . 49 TRP CB . 34044 1
627 . 1 1 49 49 TRP CD1 C 13 124.756 0.1 . 1 . . . . . 49 TRP CD1 . 34044 1
628 . 1 1 49 49 TRP CZ2 C 13 114.380 0.1 . 1 . . . . . 49 TRP CZ2 . 34044 1
629 . 1 1 49 49 TRP CH2 C 13 124.599 0.1 . 1 . . . . . 49 TRP CH2 . 34044 1
630 . 1 1 49 49 TRP N N 15 121.073 0.1 . 1 . . . . . 49 TRP N . 34044 1
631 . 1 1 49 49 TRP NE1 N 15 127.898 0.1 . 1 . . . . . 49 TRP NE1 . 34044 1
632 . 1 1 50 50 ARG H H 1 7.711 0.01 . 1 . . . . . 50 ARG H . 34044 1
633 . 1 1 50 50 ARG HA H 1 4.186 0.01 . 1 . . . . . 50 ARG HA . 34044 1
634 . 1 1 50 50 ARG HB2 H 1 1.801 0.01 . 2 . . . . . 50 ARG HB2 . 34044 1
635 . 1 1 50 50 ARG HB3 H 1 1.671 0.01 . 2 . . . . . 50 ARG HB3 . 34044 1
636 . 1 1 50 50 ARG HG2 H 1 1.477 0.01 . 1 . . . . . 50 ARG HG2 . 34044 1
637 . 1 1 50 50 ARG HG3 H 1 1.477 0.01 . 1 . . . . . 50 ARG HG3 . 34044 1
638 . 1 1 50 50 ARG HD2 H 1 3.223 0.01 . 1 . . . . . 50 ARG HD2 . 34044 1
639 . 1 1 50 50 ARG HD3 H 1 3.223 0.01 . 1 . . . . . 50 ARG HD3 . 34044 1
640 . 1 1 50 50 ARG C C 13 180.2 0.1 . 1 . . . . . 50 ARG C . 34044 1
641 . 1 1 50 50 ARG CA C 13 56.926 0.1 . 1 . . . . . 50 ARG CA . 34044 1
642 . 1 1 50 50 ARG CB C 13 32.039 0.1 . 1 . . . . . 50 ARG CB . 34044 1
643 . 1 1 50 50 ARG CG C 13 27.051 0.1 . 1 . . . . . 50 ARG CG . 34044 1
644 . 1 1 50 50 ARG CD C 13 43.533 0.1 . 1 . . . . . 50 ARG CD . 34044 1
645 . 1 1 50 50 ARG N N 15 124.595 0.1 . 1 . . . . . 50 ARG N . 34044 1
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