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 50486
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name hECP30_5HD
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2
_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
2 '2D 1H-1H COSY' . . . 50486 1
3 '2D 1H-1H TOCSY' . . . 50486 1
4 '2D 1H-1H NOESY' . . . 50486 1
5 '2D 1H-13C HSQC aliphatic' . . . 50486 1
6 '2D 1H-13C HSQC aromatic' . . . 50486 1
8 '2D 1H-1H TOCSY' . . . 50486 1
10 '2D 1H-13C HSQC aliphatic' . . . 50486 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50486 1
2 $software_2 . . 50486 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_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 ARG HA H 1 4.364 0.007 . 1 . . . . . 1 ARG HA . 50486 1
2 . 1 . 1 1 1 ARG HB2 H 1 1.920 0.002 . 2 . . . . . 1 ARG HB2 . 50486 1
3 . 1 . 1 1 1 ARG HB3 H 1 1.920 0.002 . 2 . . . . . 1 ARG HB3 . 50486 1
4 . 1 . 1 1 1 ARG HG2 H 1 1.636 0.003 . 2 . . . . . 1 ARG HG2 . 50486 1
5 . 1 . 1 1 1 ARG HG3 H 1 1.696 0.000 . 2 . . . . . 1 ARG HG3 . 50486 1
6 . 1 . 1 1 1 ARG HD2 H 1 3.196 0.003 . 2 . . . . . 1 ARG HD2 . 50486 1
7 . 1 . 1 1 1 ARG HD3 H 1 3.196 0.003 . 2 . . . . . 1 ARG HD3 . 50486 1
8 . 1 . 1 1 1 ARG HE H 1 7.208 0.002 . 1 . . . . . 1 ARG HE . 50486 1
9 . 1 . 1 1 1 ARG CA C 13 54.078 0.087 . 1 . . . . . 1 ARG CA . 50486 1
10 . 1 . 1 1 1 ARG CB C 13 29.622 0.021 . 1 . . . . . 1 ARG CB . 50486 1
11 . 1 . 1 1 1 ARG CG C 13 25.751 0.014 . 1 . . . . . 1 ARG CG . 50486 1
12 . 1 . 1 1 1 ARG CD C 13 43.243 0.029 . 1 . . . . . 1 ARG CD . 50486 1
13 . 1 . 1 2 2 PRO HA H 1 4.478 0.002 . 1 . . . . . 2 PRO HA . 50486 1
14 . 1 . 1 2 2 PRO HB2 H 1 1.831 0.004 . 2 . . . . . 2 PRO HB2 . 50486 1
15 . 1 . 1 2 2 PRO HB3 H 1 2.290 0.008 . 2 . . . . . 2 PRO HB3 . 50486 1
16 . 1 . 1 2 2 PRO HG2 H 1 1.984 0.002 . 2 . . . . . 2 PRO HG2 . 50486 1
17 . 1 . 1 2 2 PRO HG3 H 1 1.984 0.002 . 2 . . . . . 2 PRO HG3 . 50486 1
18 . 1 . 1 2 2 PRO HD2 H 1 3.571 0.003 . 2 . . . . . 2 PRO HD2 . 50486 1
19 . 1 . 1 2 2 PRO HD3 H 1 3.727 0.002 . 2 . . . . . 2 PRO HD3 . 50486 1
20 . 1 . 1 2 2 PRO CA C 13 62.965 0.036 . 1 . . . . . 2 PRO CA . 50486 1
21 . 1 . 1 2 2 PRO CB C 13 32.158 0.024 . 1 . . . . . 2 PRO CB . 50486 1
22 . 1 . 1 2 2 PRO CG C 13 27.384 0.015 . 1 . . . . . 2 PRO CG . 50486 1
23 . 1 . 1 2 2 PRO CD C 13 50.626 0.014 . 1 . . . . . 2 PRO CD . 50486 1
24 . 1 . 1 3 3 PHE H H 1 8.631 0.001 . 1 . . . . . 3 PHE H . 50486 1
25 . 1 . 1 3 3 PHE HA H 1 4.755 0.008 . 1 . . . . . 3 PHE HA . 50486 1
26 . 1 . 1 3 3 PHE HB2 H 1 2.981 0.003 . 2 . . . . . 3 PHE HB2 . 50486 1
27 . 1 . 1 3 3 PHE HB3 H 1 3.118 0.004 . 2 . . . . . 3 PHE HB3 . 50486 1
28 . 1 . 1 3 3 PHE HD1 H 1 7.181 0.004 . 1 . . . . . 3 PHE HD1 . 50486 1
29 . 1 . 1 3 3 PHE HD2 H 1 7.181 0.004 . 1 . . . . . 3 PHE HD2 . 50486 1
30 . 1 . 1 3 3 PHE HE1 H 1 7.317 0.003 . 1 . . . . . 3 PHE HE1 . 50486 1
31 . 1 . 1 3 3 PHE HE2 H 1 7.317 0.003 . 1 . . . . . 3 PHE HE2 . 50486 1
32 . 1 . 1 3 3 PHE HZ H 1 7.272 0.002 . 1 . . . . . 3 PHE HZ . 50486 1
33 . 1 . 1 3 3 PHE CA C 13 57.647 0.000 . 1 . . . . . 3 PHE CA . 50486 1
34 . 1 . 1 3 3 PHE CB C 13 39.797 0.041 . 1 . . . . . 3 PHE CB . 50486 1
35 . 1 . 1 3 3 PHE CD1 C 13 131.650 0.000 . 1 . . . . . 3 PHE CD1 . 50486 1
36 . 1 . 1 3 3 PHE CD2 C 13 131.650 0.000 . 1 . . . . . 3 PHE CD2 . 50486 1
37 . 1 . 1 3 3 PHE CE1 C 13 131.553 0.000 . 1 . . . . . 3 PHE CE1 . 50486 1
38 . 1 . 1 3 3 PHE CE2 C 13 131.553 0.000 . 1 . . . . . 3 PHE CE2 . 50486 1
39 . 1 . 1 3 3 PHE CZ C 13 129.861 0.000 . 1 . . . . . 3 PHE CZ . 50486 1
40 . 1 . 1 4 4 THR H H 1 8.379 0.002 . 1 . . . . . 4 THR H . 50486 1
41 . 1 . 1 4 4 THR HA H 1 4.368 0.004 . 1 . . . . . 4 THR HA . 50486 1
42 . 1 . 1 4 4 THR HB H 1 4.356 0.010 . 1 . . . . . 4 THR HB . 50486 1
43 . 1 . 1 4 4 THR HG21 H 1 1.227 0.003 . 1 . . . . . 4 THR QG2 . 50486 1
44 . 1 . 1 4 4 THR HG22 H 1 1.227 0.003 . 1 . . . . . 4 THR QG2 . 50486 1
45 . 1 . 1 4 4 THR HG23 H 1 1.227 0.003 . 1 . . . . . 4 THR QG2 . 50486 1
46 . 1 . 1 4 4 THR CA C 13 61.009 0.066 . 1 . . . . . 4 THR CA . 50486 1
47 . 1 . 1 4 4 THR CB C 13 70.588 0.084 . 1 . . . . . 4 THR CB . 50486 1
48 . 1 . 1 4 4 THR CG2 C 13 21.512 0.051 . 1 . . . . . 4 THR CG2 . 50486 1
49 . 1 . 1 5 5 ARG H H 1 8.691 0.001 . 1 . . . . . 5 ARG H . 50486 1
50 . 1 . 1 5 5 ARG HA H 1 4.155 0.009 . 1 . . . . . 5 ARG HA . 50486 1
51 . 1 . 1 5 5 ARG HB2 H 1 1.810 0.005 . 2 . . . . . 5 ARG HB2 . 50486 1
52 . 1 . 1 5 5 ARG HB3 H 1 1.848 0.002 . 2 . . . . . 5 ARG HB3 . 50486 1
53 . 1 . 1 5 5 ARG HG2 H 1 1.642 0.003 . 2 . . . . . 5 ARG HG2 . 50486 1
54 . 1 . 1 5 5 ARG HG3 H 1 1.686 0.004 . 2 . . . . . 5 ARG HG3 . 50486 1
55 . 1 . 1 5 5 ARG HD2 H 1 3.169 0.004 . 2 . . . . . 5 ARG HD2 . 50486 1
56 . 1 . 1 5 5 ARG HD3 H 1 3.169 0.004 . 2 . . . . . 5 ARG HD3 . 50486 1
57 . 1 . 1 5 5 ARG HE H 1 7.247 0.000 . 1 . . . . . 5 ARG HE . 50486 1
58 . 1 . 1 5 5 ARG CA C 13 57.611 0.097 . 1 . . . . . 5 ARG CA . 50486 1
59 . 1 . 1 5 5 ARG CB C 13 30.312 0.034 . 1 . . . . . 5 ARG CB . 50486 1
60 . 1 . 1 5 5 ARG CG C 13 27.155 0.022 . 1 . . . . . 5 ARG CG . 50486 1
61 . 1 . 1 5 5 ARG CD C 13 43.257 0.058 . 1 . . . . . 5 ARG CD . 50486 1
62 . 1 . 1 6 6 ALA H H 1 8.536 0.001 . 1 . . . . . 6 ALA H . 50486 1
63 . 1 . 1 6 6 ALA HA H 1 4.238 0.002 . 1 . . . . . 6 ALA HA . 50486 1
64 . 1 . 1 6 6 ALA HB1 H 1 1.376 0.005 . 1 . . . . . 6 ALA HB# . 50486 1
65 . 1 . 1 6 6 ALA HB2 H 1 1.376 0.005 . 1 . . . . . 6 ALA HB# . 50486 1
66 . 1 . 1 6 6 ALA HB3 H 1 1.376 0.005 . 1 . . . . . 6 ALA HB# . 50486 1
67 . 1 . 1 6 6 ALA CA C 13 53.715 0.089 . 1 . . . . . 6 ALA CA . 50486 1
68 . 1 . 1 6 6 ALA CB C 13 18.665 0.059 . 1 . . . . . 6 ALA CB . 50486 1
69 . 1 . 1 7 7 GLN H H 1 8.211 0.002 . 1 . . . . . 7 GLN H . 50486 1
70 . 1 . 1 7 7 GLN HA H 1 4.132 0.007 . 1 . . . . . 7 GLN HA . 50486 1
71 . 1 . 1 7 7 GLN HB2 H 1 1.855 0.004 . 2 . . . . . 7 GLN HB2 . 50486 1
72 . 1 . 1 7 7 GLN HB3 H 1 2.084 0.006 . 2 . . . . . 7 GLN HB3 . 50486 1
73 . 1 . 1 7 7 GLN HG2 H 1 2.284 0.005 . 2 . . . . . 7 GLN HG2 . 50486 1
74 . 1 . 1 7 7 GLN HG3 H 1 2.284 0.005 . 2 . . . . . 7 GLN HG3 . 50486 1
75 . 1 . 1 7 7 GLN HE21 H 1 6.946 0.000 . 2 . . . . . 7 GLN HE21 . 50486 1
76 . 1 . 1 7 7 GLN HE22 H 1 7.606 0.001 . 2 . . . . . 7 GLN HE22 . 50486 1
77 . 1 . 1 7 7 GLN CA C 13 57.055 0.072 . 1 . . . . . 7 GLN CA . 50486 1
78 . 1 . 1 7 7 GLN CB C 13 29.133 0.044 . 1 . . . . . 7 GLN CB . 50486 1
79 . 1 . 1 7 7 GLN CG C 13 34.079 0.052 . 1 . . . . . 7 GLN CG . 50486 1
80 . 1 . 1 8 8 TRP H H 1 8.369 0.003 . 1 . . . . . 8 TRP H . 50486 1
81 . 1 . 1 8 8 TRP HA H 1 4.438 0.004 . 1 . . . . . 8 TRP HA . 50486 1
82 . 1 . 1 8 8 TRP HB2 H 1 3.235 0.007 . 2 . . . . . 8 TRP HB2 . 50486 1
83 . 1 . 1 8 8 TRP HB3 H 1 3.235 0.007 . 2 . . . . . 8 TRP HB3 . 50486 1
84 . 1 . 1 8 8 TRP HD1 H 1 7.073 0.002 . 1 . . . . . 8 TRP HD1 . 50486 1
85 . 1 . 1 8 8 TRP HE1 H 1 10.157 0.000 . 1 . . . . . 8 TRP HE1 . 50486 1
86 . 1 . 1 8 8 TRP HE3 H 1 7.389 0.002 . 1 . . . . . 8 TRP HE3 . 50486 1
87 . 1 . 1 8 8 TRP HZ2 H 1 7.445 0.004 . 1 . . . . . 8 TRP HZ2 . 50486 1
88 . 1 . 1 8 8 TRP HZ3 H 1 7.078 0.002 . 1 . . . . . 8 TRP HZ3 . 50486 1
89 . 1 . 1 8 8 TRP HH2 H 1 7.207 0.003 . 1 . . . . . 8 TRP HH2 . 50486 1
90 . 1 . 1 8 8 TRP CA C 13 58.473 0.067 . 1 . . . . . 8 TRP CA . 50486 1
91 . 1 . 1 8 8 TRP CB C 13 29.625 0.031 . 1 . . . . . 8 TRP CB . 50486 1
92 . 1 . 1 8 8 TRP CD1 C 13 127.214 0.000 . 1 . . . . . 8 TRP CD1 . 50486 1
93 . 1 . 1 8 8 TRP CE3 C 13 120.723 0.000 . 1 . . . . . 8 TRP CE3 . 50486 1
94 . 1 . 1 8 8 TRP CZ2 C 13 114.701 0.000 . 1 . . . . . 8 TRP CZ2 . 50486 1
95 . 1 . 1 8 8 TRP CZ3 C 13 122.066 0.000 . 1 . . . . . 8 TRP CZ3 . 50486 1
96 . 1 . 1 8 8 TRP CH2 C 13 124.695 0.000 . 1 . . . . . 8 TRP CH2 . 50486 1
97 . 1 . 1 9 9 PHE H H 1 8.113 0.003 . 1 . . . . . 9 PHE H . 50486 1
98 . 1 . 1 9 9 PHE HA H 1 4.272 0.006 . 1 . . . . . 9 PHE HA . 50486 1
99 . 1 . 1 9 9 PHE HB2 H 1 2.964 0.004 . 2 . . . . . 9 PHE HB2 . 50486 1
100 . 1 . 1 9 9 PHE HB3 H 1 3.060 0.008 . 2 . . . . . 9 PHE HB3 . 50486 1
101 . 1 . 1 9 9 PHE HD1 H 1 7.208 0.004 . 1 . . . . . 9 PHE HD1 . 50486 1
102 . 1 . 1 9 9 PHE HD2 H 1 7.208 0.004 . 1 . . . . . 9 PHE HD2 . 50486 1
103 . 1 . 1 9 9 PHE HE1 H 1 7.300 0.004 . 1 . . . . . 9 PHE HE1 . 50486 1
104 . 1 . 1 9 9 PHE HE2 H 1 7.300 0.004 . 1 . . . . . 9 PHE HE2 . 50486 1
105 . 1 . 1 9 9 PHE HZ H 1 7.222 0.000 . 1 . . . . . 9 PHE HZ . 50486 1
106 . 1 . 1 9 9 PHE CA C 13 58.981 0.113 . 1 . . . . . 9 PHE CA . 50486 1
107 . 1 . 1 9 9 PHE CB C 13 39.582 0.025 . 1 . . . . . 9 PHE CB . 50486 1
108 . 1 . 1 9 9 PHE CD1 C 13 131.967 0.000 . 1 . . . . . 9 PHE CD1 . 50486 1
109 . 1 . 1 9 9 PHE CD2 C 13 131.967 0.000 . 1 . . . . . 9 PHE CD2 . 50486 1
110 . 1 . 1 9 9 PHE CE1 C 13 131.439 0.000 . 1 . . . . . 9 PHE CE1 . 50486 1
111 . 1 . 1 9 9 PHE CE2 C 13 131.439 0.000 . 1 . . . . . 9 PHE CE2 . 50486 1
112 . 1 . 1 9 9 PHE CZ C 13 129.856 0.000 . 1 . . . . . 9 PHE CZ . 50486 1
113 . 1 . 1 10 10 ALA H H 1 7.951 0.001 . 1 . . . . . 10 ALA H . 50486 1
114 . 1 . 1 10 10 ALA HA H 1 4.130 0.002 . 1 . . . . . 10 ALA HA . 50486 1
115 . 1 . 1 10 10 ALA HB1 H 1 1.408 0.004 . 1 . . . . . 10 ALA HB# . 50486 1
116 . 1 . 1 10 10 ALA HB2 H 1 1.408 0.004 . 1 . . . . . 10 ALA HB# . 50486 1
117 . 1 . 1 10 10 ALA HB3 H 1 1.408 0.004 . 1 . . . . . 10 ALA HB# . 50486 1
118 . 1 . 1 10 10 ALA CA C 13 53.296 0.103 . 1 . . . . . 10 ALA CA . 50486 1
119 . 1 . 1 10 10 ALA CB C 13 18.688 0.054 . 1 . . . . . 10 ALA CB . 50486 1
120 . 1 . 1 11 11 ILE H H 1 7.893 0.001 . 1 . . . . . 11 ILE H . 50486 1
121 . 1 . 1 11 11 ILE HA H 1 3.969 0.004 . 1 . . . . . 11 ILE HA . 50486 1
122 . 1 . 1 11 11 ILE HB H 1 1.784 0.003 . 1 . . . . . 11 ILE HB . 50486 1
123 . 1 . 1 11 11 ILE HG12 H 1 1.149 0.004 . 2 . . . . . 11 ILE HG12 . 50486 1
124 . 1 . 1 11 11 ILE HG13 H 1 1.442 0.006 . 2 . . . . . 11 ILE HG13 . 50486 1
125 . 1 . 1 11 11 ILE HG21 H 1 0.802 0.002 . 1 . . . . . 11 ILE QG2 . 50486 1
126 . 1 . 1 11 11 ILE HG22 H 1 0.802 0.002 . 1 . . . . . 11 ILE QG2 . 50486 1
127 . 1 . 1 11 11 ILE HG23 H 1 0.802 0.002 . 1 . . . . . 11 ILE QG2 . 50486 1
128 . 1 . 1 11 11 ILE HD11 H 1 0.737 0.004 . 1 . . . . . 11 ILE QD1 . 50486 1
129 . 1 . 1 11 11 ILE HD12 H 1 0.737 0.004 . 1 . . . . . 11 ILE QD1 . 50486 1
130 . 1 . 1 11 11 ILE HD13 H 1 0.737 0.004 . 1 . . . . . 11 ILE QD1 . 50486 1
131 . 1 . 1 11 11 ILE CA C 13 61.957 0.080 . 1 . . . . . 11 ILE CA . 50486 1
132 . 1 . 1 11 11 ILE CB C 13 38.620 0.033 . 1 . . . . . 11 ILE CB . 50486 1
133 . 1 . 1 11 11 ILE CG1 C 13 27.926 0.040 . 1 . . . . . 11 ILE CG1 . 50486 1
134 . 1 . 1 11 11 ILE CG2 C 13 17.316 0.022 . 1 . . . . . 11 ILE CG2 . 50486 1
135 . 1 . 1 11 11 ILE CD1 C 13 13.160 0.026 . 1 . . . . . 11 ILE CD1 . 50486 1
136 . 1 . 1 12 12 GLN H H 1 8.115 0.001 . 1 . . . . . 12 GLN H . 50486 1
137 . 1 . 1 12 12 GLN HA H 1 4.111 0.006 . 1 . . . . . 12 GLN HA . 50486 1
138 . 1 . 1 12 12 GLN HB2 H 1 1.785 0.005 . 2 . . . . . 12 GLN HB2 . 50486 1
139 . 1 . 1 12 12 GLN HB3 H 1 1.886 0.003 . 2 . . . . . 12 GLN HB3 . 50486 1
140 . 1 . 1 12 12 GLN HG2 H 1 2.093 0.002 . 2 . . . . . 12 GLN HG2 . 50486 1
141 . 1 . 1 12 12 GLN HG3 H 1 2.093 0.002 . 2 . . . . . 12 GLN HG3 . 50486 1
142 . 1 . 1 12 12 GLN HE21 H 1 6.786 0.000 . 2 . . . . . 12 GLN HE21 . 50486 1
143 . 1 . 1 12 12 GLN HE22 H 1 7.175 0.001 . 2 . . . . . 12 GLN HE22 . 50486 1
144 . 1 . 1 12 12 GLN CA C 13 55.839 0.076 . 1 . . . . . 12 GLN CA . 50486 1
145 . 1 . 1 12 12 GLN CB C 13 29.213 0.065 . 1 . . . . . 12 GLN CB . 50486 1
146 . 1 . 1 12 12 GLN CG C 13 33.509 0.075 . 1 . . . . . 12 GLN CG . 50486 1
147 . 1 . 1 13 13 HIS H H 1 8.366 0.004 . 1 . . . . . 13 HIS H . 50486 1
148 . 1 . 1 13 13 HIS HA H 1 4.601 0.008 . 1 . . . . . 13 HIS HA . 50486 1
149 . 1 . 1 13 13 HIS HB2 H 1 3.016 0.003 . 2 . . . . . 13 HIS HB2 . 50486 1
150 . 1 . 1 13 13 HIS HB3 H 1 3.208 0.004 . 2 . . . . . 13 HIS HB3 . 50486 1
151 . 1 . 1 13 13 HIS HD2 H 1 7.154 0.002 . 1 . . . . . 13 HIS HD2 . 50486 1
152 . 1 . 1 13 13 HIS HE1 H 1 8.431 0.002 . 1 . . . . . 13 HIS HE1 . 50486 1
153 . 1 . 1 13 13 HIS CA C 13 55.611 0.000 . 1 . . . . . 13 HIS CA . 50486 1
154 . 1 . 1 13 13 HIS CB C 13 28.666 0.013 . 1 . . . . . 13 HIS CB . 50486 1
155 . 1 . 1 13 13 HIS CD2 C 13 120.051 0.000 . 1 . . . . . 13 HIS CD2 . 50486 1
156 . 1 . 1 13 13 HIS CE1 C 13 136.198 0.000 . 1 . . . . . 13 HIS CE1 . 50486 1
157 . 1 . 1 14 14 ILE H H 1 8.213 0.003 . 1 . . . . . 14 ILE H . 50486 1
158 . 1 . 1 14 14 ILE HA H 1 4.178 0.004 . 1 . . . . . 14 ILE HA . 50486 1
159 . 1 . 1 14 14 ILE HB H 1 1.796 0.004 . 1 . . . . . 14 ILE HB . 50486 1
160 . 1 . 1 14 14 ILE HG12 H 1 1.141 0.007 . 2 . . . . . 14 ILE HG12 . 50486 1
161 . 1 . 1 14 14 ILE HG13 H 1 1.453 0.003 . 2 . . . . . 14 ILE HG13 . 50486 1
162 . 1 . 1 14 14 ILE HG21 H 1 0.876 0.004 . 1 . . . . . 14 ILE QG2 . 50486 1
163 . 1 . 1 14 14 ILE HG22 H 1 0.876 0.004 . 1 . . . . . 14 ILE QG2 . 50486 1
164 . 1 . 1 14 14 ILE HG23 H 1 0.876 0.004 . 1 . . . . . 14 ILE QG2 . 50486 1
165 . 1 . 1 14 14 ILE HD11 H 1 0.834 0.004 . 1 . . . . . 14 ILE QD1 . 50486 1
166 . 1 . 1 14 14 ILE HD12 H 1 0.834 0.004 . 1 . . . . . 14 ILE QD1 . 50486 1
167 . 1 . 1 14 14 ILE HD13 H 1 0.834 0.004 . 1 . . . . . 14 ILE QD1 . 50486 1
168 . 1 . 1 14 14 ILE CA C 13 60.861 0.060 . 1 . . . . . 14 ILE CA . 50486 1
169 . 1 . 1 14 14 ILE CB C 13 38.834 0.040 . 1 . . . . . 14 ILE CB . 50486 1
170 . 1 . 1 14 14 ILE CG1 C 13 27.316 0.032 . 1 . . . . . 14 ILE CG1 . 50486 1
171 . 1 . 1 14 14 ILE CG2 C 13 17.377 0.000 . 1 . . . . . 14 ILE CG2 . 50486 1
172 . 1 . 1 14 14 ILE CD1 C 13 12.779 0.001 . 1 . . . . . 14 ILE CD1 . 50486 1
173 . 1 . 1 15 15 SER H H 1 8.697 0.001 . 1 . . . . . 15 SER H . 50486 1
174 . 1 . 1 15 15 SER HA H 1 4.750 0.007 . 1 . . . . . 15 SER HA . 50486 1
175 . 1 . 1 15 15 SER HB2 H 1 3.890 0.003 . 2 . . . . . 15 SER HB2 . 50486 1
176 . 1 . 1 15 15 SER HB3 H 1 3.890 0.003 . 2 . . . . . 15 SER HB3 . 50486 1
177 . 1 . 1 15 15 SER CA C 13 56.370 0.000 . 1 . . . . . 15 SER CA . 50486 1
178 . 1 . 1 15 15 SER CB C 13 63.227 0.061 . 1 . . . . . 15 SER CB . 50486 1
179 . 1 . 1 16 16 PRO HA H 1 4.404 0.003 . 1 . . . . . 16 PRO HA . 50486 1
180 . 1 . 1 16 16 PRO HB2 H 1 1.927 0.004 . 2 . . . . . 16 PRO HB2 . 50486 1
181 . 1 . 1 16 16 PRO HB3 H 1 2.312 0.006 . 2 . . . . . 16 PRO HB3 . 50486 1
182 . 1 . 1 16 16 PRO HG2 H 1 2.039 0.006 . 2 . . . . . 16 PRO HG2 . 50486 1
183 . 1 . 1 16 16 PRO HG3 H 1 2.039 0.006 . 2 . . . . . 16 PRO HG3 . 50486 1
184 . 1 . 1 16 16 PRO HD2 H 1 3.772 0.003 . 2 . . . . . 16 PRO HD2 . 50486 1
185 . 1 . 1 16 16 PRO HD3 H 1 3.885 0.004 . 2 . . . . . 16 PRO HD3 . 50486 1
186 . 1 . 1 16 16 PRO CA C 13 63.564 0.026 . 1 . . . . . 16 PRO CA . 50486 1
187 . 1 . 1 16 16 PRO CB C 13 32.154 0.026 . 1 . . . . . 16 PRO CB . 50486 1
188 . 1 . 1 16 16 PRO CG C 13 27.466 0.016 . 1 . . . . . 16 PRO CG . 50486 1
189 . 1 . 1 16 16 PRO CD C 13 50.904 0.041 . 1 . . . . . 16 PRO CD . 50486 1
190 . 1 . 1 17 17 ARG H H 1 8.498 0.001 . 1 . . . . . 17 ARG H . 50486 1
191 . 1 . 1 17 17 ARG HA H 1 4.331 0.006 . 1 . . . . . 17 ARG HA . 50486 1
192 . 1 . 1 17 17 ARG HB2 H 1 1.783 0.002 . 2 . . . . . 17 ARG HB2 . 50486 1
193 . 1 . 1 17 17 ARG HB3 H 1 1.839 0.004 . 2 . . . . . 17 ARG HB3 . 50486 1
194 . 1 . 1 17 17 ARG HG2 H 1 1.638 0.001 . 2 . . . . . 17 ARG HG2 . 50486 1
195 . 1 . 1 17 17 ARG HG3 H 1 1.678 0.000 . 2 . . . . . 17 ARG HG3 . 50486 1
196 . 1 . 1 17 17 ARG HD2 H 1 3.200 0.005 . 2 . . . . . 17 ARG HD2 . 50486 1
197 . 1 . 1 17 17 ARG HD3 H 1 3.200 0.005 . 2 . . . . . 17 ARG HD3 . 50486 1
198 . 1 . 1 17 17 ARG HE H 1 7.239 0.000 . 1 . . . . . 17 ARG HE . 50486 1
199 . 1 . 1 17 17 ARG CA C 13 56.591 0.039 . 1 . . . . . 17 ARG CA . 50486 1
200 . 1 . 1 17 17 ARG CB C 13 30.625 0.034 . 1 . . . . . 17 ARG CB . 50486 1
201 . 1 . 1 17 17 ARG CG C 13 27.196 0.000 . 1 . . . . . 17 ARG CG . 50486 1
202 . 1 . 1 17 17 ARG CD C 13 43.214 0.133 . 1 . . . . . 17 ARG CD . 50486 1
203 . 1 . 1 18 18 THR H H 1 8.230 0.003 . 1 . . . . . 18 THR H . 50486 1
204 . 1 . 1 18 18 THR HA H 1 4.277 0.005 . 1 . . . . . 18 THR HA . 50486 1
205 . 1 . 1 18 18 THR HB H 1 4.199 0.004 . 1 . . . . . 18 THR HB . 50486 1
206 . 1 . 1 18 18 THR HG21 H 1 1.200 0.003 . 1 . . . . . 18 THR QG2 . 50486 1
207 . 1 . 1 18 18 THR HG22 H 1 1.200 0.003 . 1 . . . . . 18 THR QG2 . 50486 1
208 . 1 . 1 18 18 THR HG23 H 1 1.200 0.003 . 1 . . . . . 18 THR QG2 . 50486 1
209 . 1 . 1 18 18 THR CA C 13 62.522 0.027 . 1 . . . . . 18 THR CA . 50486 1
210 . 1 . 1 18 18 THR CB C 13 69.718 0.079 . 1 . . . . . 18 THR CB . 50486 1
211 . 1 . 1 18 18 THR CG2 C 13 21.731 0.038 . 1 . . . . . 18 THR CG2 . 50486 1
212 . 1 . 1 19 19 ILE H H 1 8.311 0.003 . 1 . . . . . 19 ILE H . 50486 1
213 . 1 . 1 19 19 ILE HA H 1 4.048 0.009 . 1 . . . . . 19 ILE HA . 50486 1
214 . 1 . 1 19 19 ILE HB H 1 1.851 0.004 . 1 . . . . . 19 ILE HB . 50486 1
215 . 1 . 1 19 19 ILE HG12 H 1 1.179 0.003 . 2 . . . . . 19 ILE HG12 . 50486 1
216 . 1 . 1 19 19 ILE HG13 H 1 1.491 0.006 . 2 . . . . . 19 ILE HG13 . 50486 1
217 . 1 . 1 19 19 ILE HG21 H 1 0.913 0.003 . 1 . . . . . 19 ILE QG2 . 50486 1
218 . 1 . 1 19 19 ILE HG22 H 1 0.913 0.003 . 1 . . . . . 19 ILE QG2 . 50486 1
219 . 1 . 1 19 19 ILE HG23 H 1 0.913 0.003 . 1 . . . . . 19 ILE QG2 . 50486 1
220 . 1 . 1 19 19 ILE HD11 H 1 0.854 0.008 . 1 . . . . . 19 ILE QD1 . 50486 1
221 . 1 . 1 19 19 ILE HD12 H 1 0.854 0.008 . 1 . . . . . 19 ILE QD1 . 50486 1
222 . 1 . 1 19 19 ILE HD13 H 1 0.854 0.008 . 1 . . . . . 19 ILE QD1 . 50486 1
223 . 1 . 1 19 19 ILE CA C 13 61.721 0.043 . 1 . . . . . 19 ILE CA . 50486 1
224 . 1 . 1 19 19 ILE CB C 13 38.716 0.041 . 1 . . . . . 19 ILE CB . 50486 1
225 . 1 . 1 19 19 ILE CG1 C 13 27.553 0.012 . 1 . . . . . 19 ILE CG1 . 50486 1
226 . 1 . 1 19 19 ILE CG2 C 13 17.316 0.048 . 1 . . . . . 19 ILE CG2 . 50486 1
227 . 1 . 1 19 19 ILE CD1 C 13 12.867 0.017 . 1 . . . . . 19 ILE CD1 . 50486 1
228 . 1 . 1 20 20 ALA H H 1 8.425 0.001 . 1 . . . . . 20 ALA H . 50486 1
229 . 1 . 1 20 20 ALA HA H 1 4.271 0.005 . 1 . . . . . 20 ALA HA . 50486 1
230 . 1 . 1 20 20 ALA HB1 H 1 1.384 0.005 . 1 . . . . . 20 ALA HB# . 50486 1
231 . 1 . 1 20 20 ALA HB2 H 1 1.384 0.005 . 1 . . . . . 20 ALA HB# . 50486 1
232 . 1 . 1 20 20 ALA HB3 H 1 1.384 0.005 . 1 . . . . . 20 ALA HB# . 50486 1
233 . 1 . 1 20 20 ALA CA C 13 52.849 0.005 . 1 . . . . . 20 ALA CA . 50486 1
234 . 1 . 1 20 20 ALA CB C 13 18.897 0.080 . 1 . . . . . 20 ALA CB . 50486 1
235 . 1 . 1 21 21 MET H H 1 8.373 0.001 . 1 . . . . . 21 MET H . 50486 1
236 . 1 . 1 21 21 MET HA H 1 4.396 0.004 . 1 . . . . . 21 MET HA . 50486 1
237 . 1 . 1 21 21 MET HB2 H 1 2.040 0.004 . 2 . . . . . 21 MET HB2 . 50486 1
238 . 1 . 1 21 21 MET HB3 H 1 2.063 0.009 . 2 . . . . . 21 MET HB3 . 50486 1
239 . 1 . 1 21 21 MET HG2 H 1 2.556 0.002 . 2 . . . . . 21 MET HG2 . 50486 1
240 . 1 . 1 21 21 MET HG3 H 1 2.630 0.005 . 2 . . . . . 21 MET HG3 . 50486 1
241 . 1 . 1 21 21 MET HE1 H 1 2.090 0.001 . 1 . . . . . 21 MET HE# . 50486 1
242 . 1 . 1 21 21 MET HE2 H 1 2.090 0.001 . 1 . . . . . 21 MET HE# . 50486 1
243 . 1 . 1 21 21 MET HE3 H 1 2.090 0.001 . 1 . . . . . 21 MET HE# . 50486 1
244 . 1 . 1 21 21 MET CA C 13 55.786 0.025 . 1 . . . . . 21 MET CA . 50486 1
245 . 1 . 1 21 21 MET CB C 13 32.862 0.050 . 1 . . . . . 21 MET CB . 50486 1
246 . 1 . 1 21 21 MET CG C 13 31.974 0.005 . 1 . . . . . 21 MET CG . 50486 1
247 . 1 . 1 21 21 MET CE C 13 16.909 0.032 . 1 . . . . . 21 MET CE . 50486 1
248 . 1 . 1 22 22 ARG H H 1 8.348 0.001 . 1 . . . . . 22 ARG H . 50486 1
249 . 1 . 1 22 22 ARG HA H 1 4.265 0.004 . 1 . . . . . 22 ARG HA . 50486 1
250 . 1 . 1 22 22 ARG HB2 H 1 1.771 0.004 . 2 . . . . . 22 ARG HB2 . 50486 1
251 . 1 . 1 22 22 ARG HB3 H 1 1.835 0.003 . 2 . . . . . 22 ARG HB3 . 50486 1
252 . 1 . 1 22 22 ARG HG2 H 1 1.625 0.000 . 2 . . . . . 22 ARG HG2 . 50486 1
253 . 1 . 1 22 22 ARG HG3 H 1 1.675 0.006 . 2 . . . . . 22 ARG HG3 . 50486 1
254 . 1 . 1 22 22 ARG HD2 H 1 3.157 0.003 . 2 . . . . . 22 ARG HD2 . 50486 1
255 . 1 . 1 22 22 ARG HD3 H 1 3.157 0.003 . 2 . . . . . 22 ARG HD3 . 50486 1
256 . 1 . 1 22 22 ARG HE H 1 7.218 0.000 . 1 . . . . . 22 ARG HE . 50486 1
257 . 1 . 1 22 22 ARG CA C 13 56.379 0.004 . 1 . . . . . 22 ARG CA . 50486 1
258 . 1 . 1 22 22 ARG CB C 13 30.765 0.035 . 1 . . . . . 22 ARG CB . 50486 1
259 . 1 . 1 22 22 ARG CG C 13 27.183 0.000 . 1 . . . . . 22 ARG CG . 50486 1
260 . 1 . 1 22 22 ARG CD C 13 43.398 0.060 . 1 . . . . . 22 ARG CD . 50486 1
261 . 1 . 1 23 23 ALA H H 1 8.363 0.002 . 1 . . . . . 23 ALA H . 50486 1
262 . 1 . 1 23 23 ALA HA H 1 4.300 0.001 . 1 . . . . . 23 ALA HA . 50486 1
263 . 1 . 1 23 23 ALA HB1 H 1 1.386 0.003 . 1 . . . . . 23 ALA HB# . 50486 1
264 . 1 . 1 23 23 ALA HB2 H 1 1.386 0.003 . 1 . . . . . 23 ALA HB# . 50486 1
265 . 1 . 1 23 23 ALA HB3 H 1 1.386 0.003 . 1 . . . . . 23 ALA HB# . 50486 1
266 . 1 . 1 23 23 ALA CA C 13 52.595 0.044 . 1 . . . . . 23 ALA CA . 50486 1
267 . 1 . 1 23 23 ALA CB C 13 19.084 0.078 . 1 . . . . . 23 ALA CB . 50486 1
268 . 1 . 1 24 24 ILE H H 1 8.208 0.002 . 1 . . . . . 24 ILE H . 50486 1
269 . 1 . 1 24 24 ILE HA H 1 4.092 0.003 . 1 . . . . . 24 ILE HA . 50486 1
270 . 1 . 1 24 24 ILE HB H 1 1.852 0.003 . 1 . . . . . 24 ILE HB . 50486 1
271 . 1 . 1 24 24 ILE HG12 H 1 1.179 0.002 . 2 . . . . . 24 ILE HG12 . 50486 1
272 . 1 . 1 24 24 ILE HG13 H 1 1.478 0.009 . 2 . . . . . 24 ILE HG13 . 50486 1
273 . 1 . 1 24 24 ILE HG21 H 1 0.893 0.003 . 1 . . . . . 24 ILE QG2 . 50486 1
274 . 1 . 1 24 24 ILE HG22 H 1 0.893 0.003 . 1 . . . . . 24 ILE QG2 . 50486 1
275 . 1 . 1 24 24 ILE HG23 H 1 0.893 0.003 . 1 . . . . . 24 ILE QG2 . 50486 1
276 . 1 . 1 24 24 ILE HD11 H 1 0.862 0.004 . 1 . . . . . 24 ILE QD1 . 50486 1
277 . 1 . 1 24 24 ILE HD12 H 1 0.862 0.004 . 1 . . . . . 24 ILE QD1 . 50486 1
278 . 1 . 1 24 24 ILE HD13 H 1 0.862 0.004 . 1 . . . . . 24 ILE QD1 . 50486 1
279 . 1 . 1 24 24 ILE CA C 13 61.375 0.020 . 1 . . . . . 24 ILE CA . 50486 1
280 . 1 . 1 24 24 ILE CB C 13 38.716 0.041 . 1 . . . . . 24 ILE CB . 50486 1
281 . 1 . 1 24 24 ILE CG1 C 13 27.425 0.016 . 1 . . . . . 24 ILE CG1 . 50486 1
282 . 1 . 1 24 24 ILE CG2 C 13 17.466 0.015 . 1 . . . . . 24 ILE CG2 . 50486 1
283 . 1 . 1 24 24 ILE CD1 C 13 13.001 0.031 . 1 . . . . . 24 ILE CD1 . 50486 1
284 . 1 . 1 25 25 ASN H H 1 8.538 0.001 . 1 . . . . . 25 ASN H . 50486 1
285 . 1 . 1 25 25 ASN HA H 1 4.660 0.004 . 1 . . . . . 25 ASN HA . 50486 1
286 . 1 . 1 25 25 ASN HB2 H 1 2.703 0.002 . 2 . . . . . 25 ASN HB2 . 50486 1
287 . 1 . 1 25 25 ASN HB3 H 1 2.749 0.002 . 2 . . . . . 25 ASN HB3 . 50486 1
288 . 1 . 1 25 25 ASN HD21 H 1 6.991 0.001 . 2 . . . . . 25 ASN HD21 . 50486 1
289 . 1 . 1 25 25 ASN HD22 H 1 7.674 0.002 . 2 . . . . . 25 ASN HD22 . 50486 1
290 . 1 . 1 25 25 ASN CA C 13 53.150 0.000 . 1 . . . . . 25 ASN CA . 50486 1
291 . 1 . 1 25 25 ASN CB C 13 38.809 0.047 . 1 . . . . . 25 ASN CB . 50486 1
292 . 1 . 1 26 26 ASN H H 1 8.448 0.001 . 1 . . . . . 26 ASN H . 50486 1
293 . 1 . 1 26 26 ASN HA H 1 4.662 0.006 . 1 . . . . . 26 ASN HA . 50486 1
294 . 1 . 1 26 26 ASN HB2 H 1 2.692 0.005 . 2 . . . . . 26 ASN HB2 . 50486 1
295 . 1 . 1 26 26 ASN HB3 H 1 2.756 0.005 . 2 . . . . . 26 ASN HB3 . 50486 1
296 . 1 . 1 26 26 ASN HD21 H 1 6.936 0.002 . 2 . . . . . 26 ASN HD21 . 50486 1
297 . 1 . 1 26 26 ASN HD22 H 1 7.639 0.002 . 2 . . . . . 26 ASN HD22 . 50486 1
298 . 1 . 1 26 26 ASN CA C 13 53.150 0.000 . 1 . . . . . 26 ASN CA . 50486 1
299 . 1 . 1 26 26 ASN CB C 13 38.666 0.073 . 1 . . . . . 26 ASN CB . 50486 1
300 . 1 . 1 27 27 TYR H H 1 8.220 0.003 . 1 . . . . . 27 TYR H . 50486 1
301 . 1 . 1 27 27 TYR HA H 1 4.431 0.004 . 1 . . . . . 27 TYR HA . 50486 1
302 . 1 . 1 27 27 TYR HB2 H 1 2.942 0.002 . 2 . . . . . 27 TYR HB2 . 50486 1
303 . 1 . 1 27 27 TYR HB3 H 1 2.942 0.002 . 2 . . . . . 27 TYR HB3 . 50486 1
304 . 1 . 1 27 27 TYR HD1 H 1 7.056 0.004 . 1 . . . . . 27 TYR HD1 . 50486 1
305 . 1 . 1 27 27 TYR HD2 H 1 7.056 0.004 . 1 . . . . . 27 TYR HD2 . 50486 1
306 . 1 . 1 27 27 TYR HE1 H 1 6.809 0.003 . 1 . . . . . 27 TYR HE1 . 50486 1
307 . 1 . 1 27 27 TYR HE2 H 1 6.809 0.003 . 1 . . . . . 27 TYR HE2 . 50486 1
308 . 1 . 1 27 27 TYR CA C 13 58.656 0.083 . 1 . . . . . 27 TYR CA . 50486 1
309 . 1 . 1 27 27 TYR CB C 13 38.292 0.030 . 1 . . . . . 27 TYR CB . 50486 1
310 . 1 . 1 27 27 TYR CD1 C 13 133.222 0.000 . 1 . . . . . 27 TYR CD1 . 50486 1
311 . 1 . 1 27 27 TYR CD2 C 13 133.222 0.000 . 1 . . . . . 27 TYR CD2 . 50486 1
312 . 1 . 1 27 27 TYR CE1 C 13 118.273 0.035 . 1 . . . . . 27 TYR CE1 . 50486 1
313 . 1 . 1 27 27 TYR CE2 C 13 118.273 0.035 . 1 . . . . . 27 TYR CE2 . 50486 1
314 . 1 . 1 28 28 ARG H H 1 8.102 0.003 . 1 . . . . . 28 ARG H . 50486 1
315 . 1 . 1 28 28 ARG HA H 1 4.159 0.004 . 1 . . . . . 28 ARG HA . 50486 1
316 . 1 . 1 28 28 ARG HB2 H 1 1.594 0.001 . 2 . . . . . 28 ARG HB2 . 50486 1
317 . 1 . 1 28 28 ARG HB3 H 1 1.633 0.004 . 2 . . . . . 28 ARG HB3 . 50486 1
318 . 1 . 1 28 28 ARG HG2 H 1 1.373 0.004 . 2 . . . . . 28 ARG HG2 . 50486 1
319 . 1 . 1 28 28 ARG HG3 H 1 1.373 0.004 . 2 . . . . . 28 ARG HG3 . 50486 1
320 . 1 . 1 28 28 ARG HD2 H 1 3.077 0.004 . 2 . . . . . 28 ARG HD2 . 50486 1
321 . 1 . 1 28 28 ARG HD3 H 1 3.077 0.004 . 2 . . . . . 28 ARG HD3 . 50486 1
322 . 1 . 1 28 28 ARG HE H 1 7.148 0.000 . 1 . . . . . 28 ARG HE . 50486 1
323 . 1 . 1 28 28 ARG CA C 13 56.200 0.051 . 1 . . . . . 28 ARG CA . 50486 1
324 . 1 . 1 28 28 ARG CB C 13 30.535 0.061 . 1 . . . . . 28 ARG CB . 50486 1
325 . 1 . 1 28 28 ARG CG C 13 26.878 0.024 . 1 . . . . . 28 ARG CG . 50486 1
326 . 1 . 1 28 28 ARG CD C 13 43.226 0.094 . 1 . . . . . 28 ARG CD . 50486 1
327 . 1 . 1 29 29 TRP H H 1 8.113 0.003 . 1 . . . . . 29 TRP H . 50486 1
328 . 1 . 1 29 29 TRP HA H 1 4.572 0.006 . 1 . . . . . 29 TRP HA . 50486 1
329 . 1 . 1 29 29 TRP HB2 H 1 3.279 0.002 . 2 . . . . . 29 TRP HB2 . 50486 1
330 . 1 . 1 29 29 TRP HB3 H 1 3.279 0.002 . 2 . . . . . 29 TRP HB3 . 50486 1
331 . 1 . 1 29 29 TRP HD1 H 1 7.276 0.002 . 1 . . . . . 29 TRP HD1 . 50486 1
332 . 1 . 1 29 29 TRP HE1 H 1 10.226 0.001 . 1 . . . . . 29 TRP HE1 . 50486 1
333 . 1 . 1 29 29 TRP HE3 H 1 7.626 0.003 . 1 . . . . . 29 TRP HE3 . 50486 1
334 . 1 . 1 29 29 TRP HZ2 H 1 7.461 0.003 . 1 . . . . . 29 TRP HZ2 . 50486 1
335 . 1 . 1 29 29 TRP HZ3 H 1 7.157 0.001 . 1 . . . . . 29 TRP HZ3 . 50486 1
336 . 1 . 1 29 29 TRP HH2 H 1 7.225 0.001 . 1 . . . . . 29 TRP HH2 . 50486 1
337 . 1 . 1 29 29 TRP CA C 13 57.516 0.063 . 1 . . . . . 29 TRP CA . 50486 1
338 . 1 . 1 29 29 TRP CB C 13 29.257 0.043 . 1 . . . . . 29 TRP CB . 50486 1
339 . 1 . 1 29 29 TRP CD1 C 13 127.392 0.000 . 1 . . . . . 29 TRP CD1 . 50486 1
340 . 1 . 1 29 29 TRP CE3 C 13 121.067 0.000 . 1 . . . . . 29 TRP CE3 . 50486 1
341 . 1 . 1 29 29 TRP CZ2 C 13 114.701 0.000 . 1 . . . . . 29 TRP CZ2 . 50486 1
342 . 1 . 1 29 29 TRP CZ3 C 13 122.248 0.000 . 1 . . . . . 29 TRP CZ3 . 50486 1
343 . 1 . 1 29 29 TRP CH2 C 13 124.914 0.000 . 1 . . . . . 29 TRP CH2 . 50486 1
344 . 1 . 1 30 30 ARG H H 1 7.992 0.002 . 1 . . . . . 30 ARG H . 50486 1
345 . 1 . 1 30 30 ARG HA H 1 4.104 0.002 . 1 . . . . . 30 ARG HA . 50486 1
346 . 1 . 1 30 30 ARG HB2 H 1 1.530 0.003 . 2 . . . . . 30 ARG HB2 . 50486 1
347 . 1 . 1 30 30 ARG HB3 H 1 1.714 0.006 . 2 . . . . . 30 ARG HB3 . 50486 1
348 . 1 . 1 30 30 ARG HG2 H 1 1.375 0.006 . 2 . . . . . 30 ARG HG2 . 50486 1
349 . 1 . 1 30 30 ARG HG3 H 1 1.375 0.006 . 2 . . . . . 30 ARG HG3 . 50486 1
350 . 1 . 1 30 30 ARG HD2 H 1 3.054 0.005 . 2 . . . . . 30 ARG HD2 . 50486 1
351 . 1 . 1 30 30 ARG HD3 H 1 3.054 0.005 . 2 . . . . . 30 ARG HD3 . 50486 1
352 . 1 . 1 30 30 ARG HE H 1 7.122 0.002 . 1 . . . . . 30 ARG HE . 50486 1
353 . 1 . 1 30 30 ARG CA C 13 55.712 0.076 . 1 . . . . . 30 ARG CA . 50486 1
354 . 1 . 1 30 30 ARG CB C 13 30.740 0.026 . 1 . . . . . 30 ARG CB . 50486 1
355 . 1 . 1 30 30 ARG CG C 13 26.878 0.024 . 1 . . . . . 30 ARG CG . 50486 1
356 . 1 . 1 30 30 ARG CD C 13 43.217 0.084 . 1 . . . . . 30 ARG CD . 50486 1
stop_
save_