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 50491
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name Orn-hECP30_DPC25HD
_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
2 '2D 1H-1H COSY' . . . 50491 1
3 '2D 1H-1H TOCSY' . . . 50491 1
4 '2D 1H-1H NOESY' . . . 50491 1
5 '2D 1H-13C HSQC aliphatic' . . . 50491 1
6 '2D 1H-13C HSQC aromatic' . . . 50491 1
8 '2D 1H-1H TOCSY' . . . 50491 1
9 '2D 1H-1H NOESY' . . . 50491 1
10 '2D 1H-13C HSQC aliphatic' . . . 50491 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 . . 50491 1
2 $software_2 . . 50491 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 ORN HA H 1 4.345 0.003 . 1 . . . . . 1 ORN HA . 50491 1
2 . 1 . 1 1 1 ORN HB2 H 1 1.961 0.003 . 2 . . . . . 1 ORN HB2 . 50491 1
3 . 1 . 1 1 1 ORN HB3 H 1 1.961 0.003 . 2 . . . . . 1 ORN HB3 . 50491 1
4 . 1 . 1 1 1 ORN HG2 H 1 1.783 0.001 . 2 . . . . . 1 ORN HG2 . 50491 1
5 . 1 . 1 1 1 ORN HG3 H 1 1.783 0.001 . 2 . . . . . 1 ORN HG3 . 50491 1
6 . 1 . 1 1 1 ORN HD2 H 1 3.030 0.006 . 2 . . . . . 1 ORN HD2 . 50491 1
7 . 1 . 1 1 1 ORN HD3 H 1 3.030 0.006 . 2 . . . . . 1 ORN HD3 . 50491 1
8 . 1 . 1 1 1 ORN CA C 13 53.903 0.092 . 1 . . . . . 1 ORN CA . 50491 1
9 . 1 . 1 1 1 ORN CB C 13 29.652 0.000 . 1 . . . . . 1 ORN CB . 50491 1
10 . 1 . 1 1 1 ORN CG C 13 24.848 0.076 . 1 . . . . . 1 ORN CG . 50491 1
11 . 1 . 1 1 1 ORN CD C 13 41.823 0.000 . 1 . . . . . 1 ORN CD . 50491 1
12 . 1 . 1 2 2 PRO HA H 1 4.484 0.005 . 1 . . . . . 2 PRO HA . 50491 1
13 . 1 . 1 2 2 PRO HB2 H 1 1.754 0.003 . 2 . . . . . 2 PRO HB2 . 50491 1
14 . 1 . 1 2 2 PRO HB3 H 1 2.270 0.003 . 2 . . . . . 2 PRO HB3 . 50491 1
15 . 1 . 1 2 2 PRO HG2 H 1 1.949 0.004 . 2 . . . . . 2 PRO HG2 . 50491 1
16 . 1 . 1 2 2 PRO HG3 H 1 1.949 0.004 . 2 . . . . . 2 PRO HG3 . 50491 1
17 . 1 . 1 2 2 PRO HD2 H 1 3.597 0.002 . 2 . . . . . 2 PRO HD2 . 50491 1
18 . 1 . 1 2 2 PRO HD3 H 1 3.721 0.004 . 2 . . . . . 2 PRO HD3 . 50491 1
19 . 1 . 1 2 2 PRO CA C 13 63.341 0.000 . 1 . . . . . 2 PRO CA . 50491 1
20 . 1 . 1 2 2 PRO CB C 13 32.275 0.009 . 1 . . . . . 2 PRO CB . 50491 1
21 . 1 . 1 2 2 PRO CG C 13 27.318 0.010 . 1 . . . . . 2 PRO CG . 50491 1
22 . 1 . 1 2 2 PRO CD C 13 50.560 0.016 . 1 . . . . . 2 PRO CD . 50491 1
23 . 1 . 1 3 3 PHE H H 1 8.494 0.002 . 1 . . . . . 3 PHE H . 50491 1
24 . 1 . 1 3 3 PHE HA H 1 4.902 0.005 . 1 . . . . . 3 PHE HA . 50491 1
25 . 1 . 1 3 3 PHE HB2 H 1 2.905 0.003 . 2 . . . . . 3 PHE HB2 . 50491 1
26 . 1 . 1 3 3 PHE HB3 H 1 3.143 0.004 . 2 . . . . . 3 PHE HB3 . 50491 1
27 . 1 . 1 3 3 PHE HD1 H 1 7.202 0.001 . 1 . . . . . 3 PHE HD1 . 50491 1
28 . 1 . 1 3 3 PHE HD2 H 1 7.202 0.001 . 1 . . . . . 3 PHE HD2 . 50491 1
29 . 1 . 1 3 3 PHE HE1 H 1 7.200 0.003 . 1 . . . . . 3 PHE HE1 . 50491 1
30 . 1 . 1 3 3 PHE HE2 H 1 7.200 0.003 . 1 . . . . . 3 PHE HE2 . 50491 1
31 . 1 . 1 3 3 PHE HZ H 1 7.109 0.003 . 1 . . . . . 3 PHE HZ . 50491 1
32 . 1 . 1 3 3 PHE CA C 13 57.477 0.000 . 1 . . . . . 3 PHE CA . 50491 1
33 . 1 . 1 3 3 PHE CB C 13 39.636 0.007 . 1 . . . . . 3 PHE CB . 50491 1
34 . 1 . 1 3 3 PHE CD1 C 13 131.961 0.002 . 1 . . . . . 3 PHE CD1 . 50491 1
35 . 1 . 1 3 3 PHE CD2 C 13 131.961 0.002 . 1 . . . . . 3 PHE CD2 . 50491 1
36 . 1 . 1 3 3 PHE CE1 C 13 130.963 0.007 . 1 . . . . . 3 PHE CE1 . 50491 1
37 . 1 . 1 3 3 PHE CE2 C 13 130.963 0.007 . 1 . . . . . 3 PHE CE2 . 50491 1
38 . 1 . 1 3 3 PHE CZ C 13 128.957 0.029 . 1 . . . . . 3 PHE CZ . 50491 1
39 . 1 . 1 4 4 THR H H 1 8.574 0.004 . 1 . . . . . 4 THR H . 50491 1
40 . 1 . 1 4 4 THR HA H 1 4.510 0.005 . 1 . . . . . 4 THR HA . 50491 1
41 . 1 . 1 4 4 THR HB H 1 4.640 0.006 . 1 . . . . . 4 THR HB . 50491 1
42 . 1 . 1 4 4 THR HG21 H 1 1.291 0.003 . 1 . . . . . 4 THR QG2 . 50491 1
43 . 1 . 1 4 4 THR HG22 H 1 1.291 0.003 . 1 . . . . . 4 THR QG2 . 50491 1
44 . 1 . 1 4 4 THR HG23 H 1 1.291 0.003 . 1 . . . . . 4 THR QG2 . 50491 1
45 . 1 . 1 4 4 THR CA C 13 60.780 0.000 . 1 . . . . . 4 THR CA . 50491 1
46 . 1 . 1 4 4 THR CB C 13 71.060 0.000 . 1 . . . . . 4 THR CB . 50491 1
47 . 1 . 1 4 4 THR CG2 C 13 21.732 0.056 . 1 . . . . . 4 THR CG2 . 50491 1
48 . 1 . 1 5 5 ORN H H 1 8.888 0.001 . 1 . . . . . 5 ORN H . 50491 1
49 . 1 . 1 5 5 ORN HA H 1 4.187 0.003 . 1 . . . . . 5 ORN HA . 50491 1
50 . 1 . 1 5 5 ORN HB2 H 1 1.928 0.013 . 2 . . . . . 5 ORN HB2 . 50491 1
51 . 1 . 1 5 5 ORN HB3 H 1 1.928 0.013 . 2 . . . . . 5 ORN HB3 . 50491 1
52 . 1 . 1 5 5 ORN HG2 H 1 1.776 0.004 . 2 . . . . . 5 ORN HG2 . 50491 1
53 . 1 . 1 5 5 ORN HG3 H 1 1.886 0.003 . 2 . . . . . 5 ORN HG3 . 50491 1
54 . 1 . 1 5 5 ORN HD2 H 1 3.058 0.003 . 2 . . . . . 5 ORN HD2 . 50491 1
55 . 1 . 1 5 5 ORN HD3 H 1 3.058 0.003 . 2 . . . . . 5 ORN HD3 . 50491 1
56 . 1 . 1 5 5 ORN CA C 13 59.217 0.056 . 1 . . . . . 5 ORN CA . 50491 1
57 . 1 . 1 5 5 ORN CB C 13 29.799 0.000 . 1 . . . . . 5 ORN CB . 50491 1
58 . 1 . 1 5 5 ORN CG C 13 26.488 0.072 . 1 . . . . . 5 ORN CG . 50491 1
59 . 1 . 1 5 5 ORN CD C 13 41.997 0.000 . 1 . . . . . 5 ORN CD . 50491 1
60 . 1 . 1 6 6 ALA H H 1 8.445 0.001 . 1 . . . . . 6 ALA H . 50491 1
61 . 1 . 1 6 6 ALA HA H 1 4.245 0.004 . 1 . . . . . 6 ALA HA . 50491 1
62 . 1 . 1 6 6 ALA HB1 H 1 1.428 0.002 . 1 . . . . . 6 ALA HB# . 50491 1
63 . 1 . 1 6 6 ALA HB2 H 1 1.428 0.002 . 1 . . . . . 6 ALA HB# . 50491 1
64 . 1 . 1 6 6 ALA HB3 H 1 1.428 0.002 . 1 . . . . . 6 ALA HB# . 50491 1
65 . 1 . 1 6 6 ALA CA C 13 54.706 0.050 . 1 . . . . . 6 ALA CA . 50491 1
66 . 1 . 1 6 6 ALA CB C 13 18.488 0.019 . 1 . . . . . 6 ALA CB . 50491 1
67 . 1 . 1 7 7 GLN H H 1 7.981 0.002 . 1 . . . . . 7 GLN H . 50491 1
68 . 1 . 1 7 7 GLN HA H 1 4.072 0.003 . 1 . . . . . 7 GLN HA . 50491 1
69 . 1 . 1 7 7 GLN HB2 H 1 1.777 0.008 . 2 . . . . . 7 GLN HB2 . 50491 1
70 . 1 . 1 7 7 GLN HB3 H 1 2.367 0.005 . 2 . . . . . 7 GLN HB3 . 50491 1
71 . 1 . 1 7 7 GLN HG2 H 1 2.367 0.005 . 2 . . . . . 7 GLN HG2 . 50491 1
72 . 1 . 1 7 7 GLN HG3 H 1 2.490 0.002 . 2 . . . . . 7 GLN HG3 . 50491 1
73 . 1 . 1 7 7 GLN HE21 H 1 6.930 0.000 . 2 . . . . . 7 GLN HE21 . 50491 1
74 . 1 . 1 7 7 GLN HE22 H 1 7.621 0.001 . 2 . . . . . 7 GLN HE22 . 50491 1
75 . 1 . 1 7 7 GLN CA C 13 58.642 0.059 . 1 . . . . . 7 GLN CA . 50491 1
76 . 1 . 1 7 7 GLN CB C 13 28.532 0.009 . 1 . . . . . 7 GLN CB . 50491 1
77 . 1 . 1 7 7 GLN CG C 13 34.741 0.018 . 1 . . . . . 7 GLN CG . 50491 1
78 . 1 . 1 8 8 TRP H H 1 8.363 0.005 . 1 . . . . . 8 TRP H . 50491 1
79 . 1 . 1 8 8 TRP HA H 1 4.463 0.005 . 1 . . . . . 8 TRP HA . 50491 1
80 . 1 . 1 8 8 TRP HB2 H 1 3.266 0.005 . 2 . . . . . 8 TRP HB2 . 50491 1
81 . 1 . 1 8 8 TRP HB3 H 1 3.321 0.005 . 2 . . . . . 8 TRP HB3 . 50491 1
82 . 1 . 1 8 8 TRP HD1 H 1 7.114 0.004 . 1 . . . . . 8 TRP HD1 . 50491 1
83 . 1 . 1 8 8 TRP HE1 H 1 10.518 0.001 . 1 . . . . . 8 TRP HE1 . 50491 1
84 . 1 . 1 8 8 TRP HE3 H 1 7.344 0.002 . 1 . . . . . 8 TRP HE3 . 50491 1
85 . 1 . 1 8 8 TRP HZ2 H 1 7.519 0.003 . 1 . . . . . 8 TRP HZ2 . 50491 1
86 . 1 . 1 8 8 TRP HZ3 H 1 6.893 0.002 . 1 . . . . . 8 TRP HZ3 . 50491 1
87 . 1 . 1 8 8 TRP HH2 H 1 7.065 0.002 . 1 . . . . . 8 TRP HH2 . 50491 1
88 . 1 . 1 8 8 TRP CA C 13 59.520 0.000 . 1 . . . . . 8 TRP CA . 50491 1
89 . 1 . 1 8 8 TRP CD1 C 13 127.303 0.071 . 1 . . . . . 8 TRP CD1 . 50491 1
90 . 1 . 1 8 8 TRP CE3 C 13 120.891 0.003 . 1 . . . . . 8 TRP CE3 . 50491 1
91 . 1 . 1 8 8 TRP CZ2 C 13 114.881 0.035 . 1 . . . . . 8 TRP CZ2 . 50491 1
92 . 1 . 1 8 8 TRP CZ3 C 13 121.275 0.024 . 1 . . . . . 8 TRP CZ3 . 50491 1
93 . 1 . 1 8 8 TRP CH2 C 13 124.010 0.000 . 1 . . . . . 8 TRP CH2 . 50491 1
94 . 1 . 1 9 9 PHE H H 1 8.263 0.002 . 1 . . . . . 9 PHE H . 50491 1
95 . 1 . 1 9 9 PHE HA H 1 4.267 0.006 . 1 . . . . . 9 PHE HA . 50491 1
96 . 1 . 1 9 9 PHE HB2 H 1 3.187 0.003 . 2 . . . . . 9 PHE HB2 . 50491 1
97 . 1 . 1 9 9 PHE HB3 H 1 3.187 0.003 . 2 . . . . . 9 PHE HB3 . 50491 1
98 . 1 . 1 9 9 PHE HD1 H 1 7.255 0.002 . 1 . . . . . 9 PHE HD1 . 50491 1
99 . 1 . 1 9 9 PHE HD2 H 1 7.255 0.002 . 1 . . . . . 9 PHE HD2 . 50491 1
100 . 1 . 1 9 9 PHE HE1 H 1 7.256 0.003 . 1 . . . . . 9 PHE HE1 . 50491 1
101 . 1 . 1 9 9 PHE HE2 H 1 7.256 0.003 . 1 . . . . . 9 PHE HE2 . 50491 1
102 . 1 . 1 9 9 PHE HZ H 1 7.139 0.004 . 1 . . . . . 9 PHE HZ . 50491 1
103 . 1 . 1 9 9 PHE CA C 13 60.565 0.000 . 1 . . . . . 9 PHE CA . 50491 1
104 . 1 . 1 9 9 PHE CB C 13 38.910 0.000 . 1 . . . . . 9 PHE CB . 50491 1
105 . 1 . 1 9 9 PHE CD1 C 13 131.997 0.012 . 1 . . . . . 9 PHE CD1 . 50491 1
106 . 1 . 1 9 9 PHE CD2 C 13 131.997 0.012 . 1 . . . . . 9 PHE CD2 . 50491 1
107 . 1 . 1 9 9 PHE CE1 C 13 131.395 0.013 . 1 . . . . . 9 PHE CE1 . 50491 1
108 . 1 . 1 9 9 PHE CE2 C 13 131.395 0.013 . 1 . . . . . 9 PHE CE2 . 50491 1
109 . 1 . 1 9 9 PHE CZ C 13 129.742 0.009 . 1 . . . . . 9 PHE CZ . 50491 1
110 . 1 . 1 10 10 ALA H H 1 7.889 0.001 . 1 . . . . . 10 ALA H . 50491 1
111 . 1 . 1 10 10 ALA HA H 1 4.141 0.005 . 1 . . . . . 10 ALA HA . 50491 1
112 . 1 . 1 10 10 ALA HB1 H 1 1.528 0.003 . 1 . . . . . 10 ALA HB# . 50491 1
113 . 1 . 1 10 10 ALA HB2 H 1 1.528 0.003 . 1 . . . . . 10 ALA HB# . 50491 1
114 . 1 . 1 10 10 ALA HB3 H 1 1.528 0.003 . 1 . . . . . 10 ALA HB# . 50491 1
115 . 1 . 1 10 10 ALA CA C 13 54.782 0.006 . 1 . . . . . 10 ALA CA . 50491 1
116 . 1 . 1 10 10 ALA CB C 13 18.447 0.022 . 1 . . . . . 10 ALA CB . 50491 1
117 . 1 . 1 11 11 ILE H H 1 7.898 0.003 . 1 . . . . . 11 ILE H . 50491 1
118 . 1 . 1 11 11 ILE HA H 1 3.722 0.004 . 1 . . . . . 11 ILE HA . 50491 1
119 . 1 . 1 11 11 ILE HB H 1 1.815 0.003 . 1 . . . . . 11 ILE HB . 50491 1
120 . 1 . 1 11 11 ILE HG12 H 1 1.025 0.005 . 2 . . . . . 11 ILE HG12 . 50491 1
121 . 1 . 1 11 11 ILE HG13 H 1 1.559 0.005 . 2 . . . . . 11 ILE HG13 . 50491 1
122 . 1 . 1 11 11 ILE HG21 H 1 0.771 0.001 . 1 . . . . . 11 ILE QG2 . 50491 1
123 . 1 . 1 11 11 ILE HG22 H 1 0.771 0.001 . 1 . . . . . 11 ILE QG2 . 50491 1
124 . 1 . 1 11 11 ILE HG23 H 1 0.771 0.001 . 1 . . . . . 11 ILE QG2 . 50491 1
125 . 1 . 1 11 11 ILE HD11 H 1 0.532 0.002 . 1 . . . . . 11 ILE QD1 . 50491 1
126 . 1 . 1 11 11 ILE HD12 H 1 0.532 0.002 . 1 . . . . . 11 ILE QD1 . 50491 1
127 . 1 . 1 11 11 ILE HD13 H 1 0.532 0.002 . 1 . . . . . 11 ILE QD1 . 50491 1
128 . 1 . 1 11 11 ILE CA C 13 63.822 0.029 . 1 . . . . . 11 ILE CA . 50491 1
129 . 1 . 1 11 11 ILE CB C 13 38.091 0.021 . 1 . . . . . 11 ILE CB . 50491 1
130 . 1 . 1 11 11 ILE CG1 C 13 29.103 0.016 . 1 . . . . . 11 ILE CG1 . 50491 1
131 . 1 . 1 11 11 ILE CG2 C 13 17.739 0.004 . 1 . . . . . 11 ILE CG2 . 50491 1
132 . 1 . 1 11 11 ILE CD1 C 13 13.540 0.003 . 1 . . . . . 11 ILE CD1 . 50491 1
133 . 1 . 1 12 12 GLN H H 1 7.765 0.004 . 1 . . . . . 12 GLN H . 50491 1
134 . 1 . 1 12 12 GLN HA H 1 3.824 0.004 . 1 . . . . . 12 GLN HA . 50491 1
135 . 1 . 1 12 12 GLN HB2 H 1 1.708 0.004 . 2 . . . . . 12 GLN HB2 . 50491 1
136 . 1 . 1 12 12 GLN HB3 H 1 1.762 0.002 . 2 . . . . . 12 GLN HB3 . 50491 1
137 . 1 . 1 12 12 GLN HG2 H 1 1.929 0.002 . 2 . . . . . 12 GLN HG2 . 50491 1
138 . 1 . 1 12 12 GLN HG3 H 1 1.984 0.007 . 2 . . . . . 12 GLN HG3 . 50491 1
139 . 1 . 1 12 12 GLN HE21 H 1 6.643 0.004 . 2 . . . . . 12 GLN HE21 . 50491 1
140 . 1 . 1 12 12 GLN HE22 H 1 6.895 0.001 . 2 . . . . . 12 GLN HE22 . 50491 1
141 . 1 . 1 12 12 GLN CA C 13 57.400 0.042 . 1 . . . . . 12 GLN CA . 50491 1
142 . 1 . 1 12 12 GLN CB C 13 29.202 0.003 . 1 . . . . . 12 GLN CB . 50491 1
143 . 1 . 1 12 12 GLN CG C 13 34.224 0.001 . 1 . . . . . 12 GLN CG . 50491 1
144 . 1 . 1 13 13 HIS H H 1 7.689 0.002 . 1 . . . . . 13 HIS H . 50491 1
145 . 1 . 1 13 13 HIS HA H 1 4.514 0.005 . 1 . . . . . 13 HIS HA . 50491 1
146 . 1 . 1 13 13 HIS HB2 H 1 2.874 0.004 . 2 . . . . . 13 HIS HB2 . 50491 1
147 . 1 . 1 13 13 HIS HB3 H 1 3.399 0.005 . 2 . . . . . 13 HIS HB3 . 50491 1
148 . 1 . 1 13 13 HIS HD2 H 1 7.115 0.005 . 1 . . . . . 13 HIS HD2 . 50491 1
149 . 1 . 1 13 13 HIS HE1 H 1 8.078 0.005 . 1 . . . . . 13 HIS HE1 . 50491 1
150 . 1 . 1 13 13 HIS CA C 13 56.027 0.000 . 1 . . . . . 13 HIS CA . 50491 1
151 . 1 . 1 13 13 HIS CB C 13 28.603 0.084 . 1 . . . . . 13 HIS CB . 50491 1
152 . 1 . 1 13 13 HIS CD2 C 13 119.735 0.087 . 1 . . . . . 13 HIS CD2 . 50491 1
153 . 1 . 1 13 13 HIS CE1 C 13 135.921 0.141 . 1 . . . . . 13 HIS CE1 . 50491 1
154 . 1 . 1 14 14 ILE H H 1 7.521 0.001 . 1 . . . . . 14 ILE H . 50491 1
155 . 1 . 1 14 14 ILE HA H 1 4.137 0.002 . 1 . . . . . 14 ILE HA . 50491 1
156 . 1 . 1 14 14 ILE HB H 1 1.906 0.004 . 1 . . . . . 14 ILE HB . 50491 1
157 . 1 . 1 14 14 ILE HG12 H 1 1.217 0.005 . 2 . . . . . 14 ILE HG12 . 50491 1
158 . 1 . 1 14 14 ILE HG13 H 1 1.607 0.004 . 2 . . . . . 14 ILE HG13 . 50491 1
159 . 1 . 1 14 14 ILE HG21 H 1 0.877 0.004 . 1 . . . . . 14 ILE QG2 . 50491 1
160 . 1 . 1 14 14 ILE HG22 H 1 0.877 0.004 . 1 . . . . . 14 ILE QG2 . 50491 1
161 . 1 . 1 14 14 ILE HG23 H 1 0.877 0.004 . 1 . . . . . 14 ILE QG2 . 50491 1
162 . 1 . 1 14 14 ILE HD11 H 1 0.844 0.005 . 1 . . . . . 14 ILE QD1 . 50491 1
163 . 1 . 1 14 14 ILE HD12 H 1 0.844 0.005 . 1 . . . . . 14 ILE QD1 . 50491 1
164 . 1 . 1 14 14 ILE HD13 H 1 0.844 0.005 . 1 . . . . . 14 ILE QD1 . 50491 1
165 . 1 . 1 14 14 ILE CA C 13 61.447 0.057 . 1 . . . . . 14 ILE CA . 50491 1
166 . 1 . 1 14 14 ILE CB C 13 39.096 0.022 . 1 . . . . . 14 ILE CB . 50491 1
167 . 1 . 1 14 14 ILE CG1 C 13 27.581 0.009 . 1 . . . . . 14 ILE CG1 . 50491 1
168 . 1 . 1 14 14 ILE CG2 C 13 17.735 0.001 . 1 . . . . . 14 ILE CG2 . 50491 1
169 . 1 . 1 14 14 ILE CD1 C 13 13.977 0.003 . 1 . . . . . 14 ILE CD1 . 50491 1
170 . 1 . 1 15 15 SER H H 1 8.374 0.002 . 1 . . . . . 15 SER H . 50491 1
171 . 1 . 1 15 15 SER HA H 1 4.967 0.005 . 1 . . . . . 15 SER HA . 50491 1
172 . 1 . 1 15 15 SER HB2 H 1 3.929 0.006 . 2 . . . . . 15 SER HB2 . 50491 1
173 . 1 . 1 15 15 SER HB3 H 1 3.982 0.006 . 2 . . . . . 15 SER HB3 . 50491 1
174 . 1 . 1 15 15 SER CA C 13 54.553 0.000 . 1 . . . . . 15 SER CA . 50491 1
175 . 1 . 1 15 15 SER CB C 13 63.418 0.034 . 1 . . . . . 15 SER CB . 50491 1
176 . 1 . 1 16 16 PRO HA H 1 4.169 0.004 . 1 . . . . . 16 PRO HA . 50491 1
177 . 1 . 1 16 16 PRO HB2 H 1 2.010 0.003 . 2 . . . . . 16 PRO HB2 . 50491 1
178 . 1 . 1 16 16 PRO HB3 H 1 2.174 0.009 . 2 . . . . . 16 PRO HB3 . 50491 1
179 . 1 . 1 16 16 PRO HG2 H 1 1.834 0.004 . 2 . . . . . 16 PRO HG2 . 50491 1
180 . 1 . 1 16 16 PRO HG3 H 1 2.150 0.005 . 2 . . . . . 16 PRO HG3 . 50491 1
181 . 1 . 1 16 16 PRO HD2 H 1 3.950 0.004 . 2 . . . . . 16 PRO HD2 . 50491 1
182 . 1 . 1 16 16 PRO HD3 H 1 4.128 0.004 . 2 . . . . . 16 PRO HD3 . 50491 1
183 . 1 . 1 16 16 PRO CA C 13 65.323 0.000 . 1 . . . . . 16 PRO CA . 50491 1
184 . 1 . 1 16 16 PRO CB C 13 32.437 0.027 . 1 . . . . . 16 PRO CB . 50491 1
185 . 1 . 1 16 16 PRO CG C 13 27.935 0.020 . 1 . . . . . 16 PRO CG . 50491 1
186 . 1 . 1 17 17 ORN H H 1 8.692 0.002 . 1 . . . . . 17 ORN H . 50491 1
187 . 1 . 1 17 17 ORN HA H 1 3.961 0.002 . 1 . . . . . 17 ORN HA . 50491 1
188 . 1 . 1 17 17 ORN HB2 H 1 1.916 0.001 . 2 . . . . . 17 ORN HB2 . 50491 1
189 . 1 . 1 17 17 ORN HB3 H 1 1.916 0.001 . 2 . . . . . 17 ORN HB3 . 50491 1
190 . 1 . 1 17 17 ORN HG2 H 1 1.700 0.003 . 2 . . . . . 17 ORN HG2 . 50491 1
191 . 1 . 1 17 17 ORN HG3 H 1 1.784 0.003 . 2 . . . . . 17 ORN HG3 . 50491 1
192 . 1 . 1 17 17 ORN HD2 H 1 3.019 0.003 . 2 . . . . . 17 ORN HD2 . 50491 1
193 . 1 . 1 17 17 ORN HD3 H 1 3.019 0.003 . 2 . . . . . 17 ORN HD3 . 50491 1
194 . 1 . 1 17 17 ORN HE1 H 1 7.900 0.000 . 2 . . . . . 17 ORN HE2 . 50491 1
195 . 1 . 1 17 17 ORN HE2 H 1 7.900 0.000 . 2 . . . . . 17 ORN HE3 . 50491 1
196 . 1 . 1 17 17 ORN CA C 13 59.764 0.037 . 1 . . . . . 17 ORN CA . 50491 1
197 . 1 . 1 17 17 ORN CB C 13 30.134 0.000 . 1 . . . . . 17 ORN CB . 50491 1
198 . 1 . 1 17 17 ORN CG C 13 26.514 0.085 . 1 . . . . . 17 ORN CG . 50491 1
199 . 1 . 1 17 17 ORN CD C 13 41.823 0.000 . 1 . . . . . 17 ORN CD . 50491 1
200 . 1 . 1 18 18 THR H H 1 7.686 0.003 . 1 . . . . . 18 THR H . 50491 1
201 . 1 . 1 18 18 THR HA H 1 4.028 0.002 . 1 . . . . . 18 THR HA . 50491 1
202 . 1 . 1 18 18 THR HB H 1 4.324 0.004 . 1 . . . . . 18 THR HB . 50491 1
203 . 1 . 1 18 18 THR HG21 H 1 1.275 0.004 . 1 . . . . . 18 THR QG2 . 50491 1
204 . 1 . 1 18 18 THR HG22 H 1 1.275 0.004 . 1 . . . . . 18 THR QG2 . 50491 1
205 . 1 . 1 18 18 THR HG23 H 1 1.275 0.004 . 1 . . . . . 18 THR QG2 . 50491 1
206 . 1 . 1 18 18 THR CA C 13 65.698 0.000 . 1 . . . . . 18 THR CA . 50491 1
207 . 1 . 1 18 18 THR CB C 13 68.779 0.057 . 1 . . . . . 18 THR CB . 50491 1
208 . 1 . 1 18 18 THR CG2 C 13 22.105 0.049 . 1 . . . . . 18 THR CG2 . 50491 1
209 . 1 . 1 19 19 ILE H H 1 7.785 0.002 . 1 . . . . . 19 ILE H . 50491 1
210 . 1 . 1 19 19 ILE HA H 1 3.797 0.004 . 1 . . . . . 19 ILE HA . 50491 1
211 . 1 . 1 19 19 ILE HB H 1 1.911 0.004 . 1 . . . . . 19 ILE HB . 50491 1
212 . 1 . 1 19 19 ILE HG12 H 1 1.233 0.005 . 2 . . . . . 19 ILE HG12 . 50491 1
213 . 1 . 1 19 19 ILE HG13 H 1 1.669 0.004 . 2 . . . . . 19 ILE HG13 . 50491 1
214 . 1 . 1 19 19 ILE HG21 H 1 0.928 0.002 . 1 . . . . . 19 ILE QG2 . 50491 1
215 . 1 . 1 19 19 ILE HG22 H 1 0.928 0.002 . 1 . . . . . 19 ILE QG2 . 50491 1
216 . 1 . 1 19 19 ILE HG23 H 1 0.928 0.002 . 1 . . . . . 19 ILE QG2 . 50491 1
217 . 1 . 1 19 19 ILE HD11 H 1 0.853 0.003 . 1 . . . . . 19 ILE QD1 . 50491 1
218 . 1 . 1 19 19 ILE HD12 H 1 0.853 0.003 . 1 . . . . . 19 ILE QD1 . 50491 1
219 . 1 . 1 19 19 ILE HD13 H 1 0.853 0.003 . 1 . . . . . 19 ILE QD1 . 50491 1
220 . 1 . 1 19 19 ILE CA C 13 64.175 0.042 . 1 . . . . . 19 ILE CA . 50491 1
221 . 1 . 1 19 19 ILE CB C 13 37.986 0.023 . 1 . . . . . 19 ILE CB . 50491 1
222 . 1 . 1 19 19 ILE CG1 C 13 28.464 0.010 . 1 . . . . . 19 ILE CG1 . 50491 1
223 . 1 . 1 19 19 ILE CG2 C 13 17.715 0.000 . 1 . . . . . 19 ILE CG2 . 50491 1
224 . 1 . 1 19 19 ILE CD1 C 13 13.399 0.005 . 1 . . . . . 19 ILE CD1 . 50491 1
225 . 1 . 1 20 20 ALA H H 1 8.266 0.002 . 1 . . . . . 20 ALA H . 50491 1
226 . 1 . 1 20 20 ALA HA H 1 4.058 0.005 . 1 . . . . . 20 ALA HA . 50491 1
227 . 1 . 1 20 20 ALA HB1 H 1 1.446 0.002 . 1 . . . . . 20 ALA HB# . 50491 1
228 . 1 . 1 20 20 ALA HB2 H 1 1.446 0.002 . 1 . . . . . 20 ALA HB# . 50491 1
229 . 1 . 1 20 20 ALA HB3 H 1 1.446 0.002 . 1 . . . . . 20 ALA HB# . 50491 1
230 . 1 . 1 20 20 ALA CA C 13 55.004 0.072 . 1 . . . . . 20 ALA CA . 50491 1
231 . 1 . 1 20 20 ALA CB C 13 18.728 0.015 . 1 . . . . . 20 ALA CB . 50491 1
232 . 1 . 1 21 21 MET H H 1 8.150 0.002 . 1 . . . . . 21 MET H . 50491 1
233 . 1 . 1 21 21 MET HA H 1 4.310 0.004 . 1 . . . . . 21 MET HA . 50491 1
234 . 1 . 1 21 21 MET HB2 H 1 2.139 0.006 . 2 . . . . . 21 MET HB2 . 50491 1
235 . 1 . 1 21 21 MET HB3 H 1 2.180 0.005 . 2 . . . . . 21 MET HB3 . 50491 1
236 . 1 . 1 21 21 MET HG2 H 1 2.668 0.003 . 2 . . . . . 21 MET HG2 . 50491 1
237 . 1 . 1 21 21 MET HG3 H 1 2.773 0.003 . 2 . . . . . 21 MET HG3 . 50491 1
238 . 1 . 1 21 21 MET HE1 H 1 2.086 0.002 . 1 . . . . . 21 MET HE# . 50491 1
239 . 1 . 1 21 21 MET HE2 H 1 2.086 0.002 . 1 . . . . . 21 MET HE# . 50491 1
240 . 1 . 1 21 21 MET HE3 H 1 2.086 0.002 . 1 . . . . . 21 MET HE# . 50491 1
241 . 1 . 1 21 21 MET CA C 13 57.475 0.000 . 1 . . . . . 21 MET CA . 50491 1
242 . 1 . 1 21 21 MET CB C 13 31.785 0.003 . 1 . . . . . 21 MET CB . 50491 1
243 . 1 . 1 21 21 MET CG C 13 32.263 0.005 . 1 . . . . . 21 MET CG . 50491 1
244 . 1 . 1 21 21 MET CE C 13 16.767 0.020 . 1 . . . . . 21 MET CE . 50491 1
245 . 1 . 1 22 22 ORN H H 1 8.012 0.003 . 1 . . . . . 22 ORN H . 50491 1
246 . 1 . 1 22 22 ORN HA H 1 4.128 0.002 . 1 . . . . . 22 ORN HA . 50491 1
247 . 1 . 1 22 22 ORN HB2 H 1 1.981 0.002 . 2 . . . . . 22 ORN HB2 . 50491 1
248 . 1 . 1 22 22 ORN HB3 H 1 1.981 0.002 . 2 . . . . . 22 ORN HB3 . 50491 1
249 . 1 . 1 22 22 ORN HG2 H 1 1.785 0.002 . 2 . . . . . 22 ORN HG2 . 50491 1
250 . 1 . 1 22 22 ORN HG3 H 1 1.882 0.004 . 2 . . . . . 22 ORN HG3 . 50491 1
251 . 1 . 1 22 22 ORN HD2 H 1 2.990 0.003 . 2 . . . . . 22 ORN HD2 . 50491 1
252 . 1 . 1 22 22 ORN HD3 H 1 2.990 0.003 . 2 . . . . . 22 ORN HD3 . 50491 1
253 . 1 . 1 22 22 ORN HE1 H 1 7.795 0.000 . 2 . . . . . 22 ORN HE2 . 50491 1
254 . 1 . 1 22 22 ORN HE2 H 1 7.795 0.000 . 2 . . . . . 22 ORN HE3 . 50491 1
255 . 1 . 1 22 22 ORN CA C 13 58.701 0.059 . 1 . . . . . 22 ORN CA . 50491 1
256 . 1 . 1 22 22 ORN CB C 13 29.895 0.000 . 1 . . . . . 22 ORN CB . 50491 1
257 . 1 . 1 22 22 ORN CD C 13 41.686 0.000 . 1 . . . . . 22 ORN CD . 50491 1
258 . 1 . 1 23 23 ALA H H 1 8.026 0.003 . 1 . . . . . 23 ALA H . 50491 1
259 . 1 . 1 23 23 ALA HA H 1 4.195 0.003 . 1 . . . . . 23 ALA HA . 50491 1
260 . 1 . 1 23 23 ALA HB1 H 1 1.542 0.004 . 1 . . . . . 23 ALA HB# . 50491 1
261 . 1 . 1 23 23 ALA HB2 H 1 1.542 0.004 . 1 . . . . . 23 ALA HB# . 50491 1
262 . 1 . 1 23 23 ALA HB3 H 1 1.542 0.004 . 1 . . . . . 23 ALA HB# . 50491 1
263 . 1 . 1 23 23 ALA CA C 13 55.035 0.067 . 1 . . . . . 23 ALA CA . 50491 1
264 . 1 . 1 23 23 ALA CB C 13 18.728 0.043 . 1 . . . . . 23 ALA CB . 50491 1
265 . 1 . 1 24 24 ILE H H 1 8.151 0.001 . 1 . . . . . 24 ILE H . 50491 1
266 . 1 . 1 24 24 ILE HA H 1 3.894 0.002 . 1 . . . . . 24 ILE HA . 50491 1
267 . 1 . 1 24 24 ILE HB H 1 2.016 0.005 . 1 . . . . . 24 ILE HB . 50491 1
268 . 1 . 1 24 24 ILE HG12 H 1 1.200 0.003 . 2 . . . . . 24 ILE HG12 . 50491 1
269 . 1 . 1 24 24 ILE HG13 H 1 1.791 0.003 . 2 . . . . . 24 ILE HG13 . 50491 1
270 . 1 . 1 24 24 ILE HG21 H 1 0.988 0.002 . 1 . . . . . 24 ILE QG2 . 50491 1
271 . 1 . 1 24 24 ILE HG22 H 1 0.988 0.002 . 1 . . . . . 24 ILE QG2 . 50491 1
272 . 1 . 1 24 24 ILE HG23 H 1 0.988 0.002 . 1 . . . . . 24 ILE QG2 . 50491 1
273 . 1 . 1 24 24 ILE HD11 H 1 0.888 0.003 . 1 . . . . . 24 ILE QD1 . 50491 1
274 . 1 . 1 24 24 ILE HD12 H 1 0.888 0.003 . 1 . . . . . 24 ILE QD1 . 50491 1
275 . 1 . 1 24 24 ILE HD13 H 1 0.888 0.003 . 1 . . . . . 24 ILE QD1 . 50491 1
276 . 1 . 1 24 24 ILE CA C 13 64.419 0.078 . 1 . . . . . 24 ILE CA . 50491 1
277 . 1 . 1 24 24 ILE CB C 13 38.463 0.028 . 1 . . . . . 24 ILE CB . 50491 1
278 . 1 . 1 24 24 ILE CG1 C 13 29.368 0.002 . 1 . . . . . 24 ILE CG1 . 50491 1
279 . 1 . 1 24 24 ILE CG2 C 13 17.691 0.006 . 1 . . . . . 24 ILE CG2 . 50491 1
280 . 1 . 1 24 24 ILE CD1 C 13 13.899 0.001 . 1 . . . . . 24 ILE CD1 . 50491 1
281 . 1 . 1 25 25 ASN H H 1 8.094 0.001 . 1 . . . . . 25 ASN H . 50491 1
282 . 1 . 1 25 25 ASN HA H 1 4.603 0.006 . 1 . . . . . 25 ASN HA . 50491 1
283 . 1 . 1 25 25 ASN HB2 H 1 2.811 0.005 . 2 . . . . . 25 ASN HB2 . 50491 1
284 . 1 . 1 25 25 ASN HB3 H 1 2.865 0.003 . 2 . . . . . 25 ASN HB3 . 50491 1
285 . 1 . 1 25 25 ASN HD21 H 1 6.891 0.002 . 2 . . . . . 25 ASN HD21 . 50491 1
286 . 1 . 1 25 25 ASN HD22 H 1 7.560 0.003 . 2 . . . . . 25 ASN HD22 . 50491 1
287 . 1 . 1 25 25 ASN CA C 13 55.254 0.000 . 1 . . . . . 25 ASN CA . 50491 1
288 . 1 . 1 25 25 ASN CB C 13 38.925 0.003 . 1 . . . . . 25 ASN CB . 50491 1
289 . 1 . 1 26 26 ASN H H 1 7.992 0.002 . 1 . . . . . 26 ASN H . 50491 1
290 . 1 . 1 26 26 ASN HA H 1 4.666 0.002 . 1 . . . . . 26 ASN HA . 50491 1
291 . 1 . 1 26 26 ASN HB2 H 1 2.733 0.006 . 2 . . . . . 26 ASN HB2 . 50491 1
292 . 1 . 1 26 26 ASN HB3 H 1 2.733 0.006 . 2 . . . . . 26 ASN HB3 . 50491 1
293 . 1 . 1 26 26 ASN HD21 H 1 7.025 0.005 . 2 . . . . . 26 ASN HD21 . 50491 1
294 . 1 . 1 26 26 ASN HD22 H 1 7.543 0.002 . 2 . . . . . 26 ASN HD22 . 50491 1
295 . 1 . 1 26 26 ASN CA C 13 54.160 0.000 . 1 . . . . . 26 ASN CA . 50491 1
296 . 1 . 1 26 26 ASN CB C 13 39.553 0.000 . 1 . . . . . 26 ASN CB . 50491 1
297 . 1 . 1 27 27 TYR H H 1 7.813 0.002 . 1 . . . . . 27 TYR H . 50491 1
298 . 1 . 1 27 27 TYR HA H 1 4.358 0.004 . 1 . . . . . 27 TYR HA . 50491 1
299 . 1 . 1 27 27 TYR HB2 H 1 2.869 0.003 . 2 . . . . . 27 TYR HB2 . 50491 1
300 . 1 . 1 27 27 TYR HB3 H 1 2.869 0.003 . 2 . . . . . 27 TYR HB3 . 50491 1
301 . 1 . 1 27 27 TYR HD1 H 1 6.885 0.002 . 1 . . . . . 27 TYR HD1 . 50491 1
302 . 1 . 1 27 27 TYR HD2 H 1 6.885 0.002 . 1 . . . . . 27 TYR HD2 . 50491 1
303 . 1 . 1 27 27 TYR HE1 H 1 6.685 0.002 . 1 . . . . . 27 TYR HE1 . 50491 1
304 . 1 . 1 27 27 TYR HE2 H 1 6.685 0.002 . 1 . . . . . 27 TYR HE2 . 50491 1
305 . 1 . 1 27 27 TYR CA C 13 59.033 0.000 . 1 . . . . . 27 TYR CA . 50491 1
306 . 1 . 1 27 27 TYR CB C 13 39.069 0.000 . 1 . . . . . 27 TYR CB . 50491 1
307 . 1 . 1 27 27 TYR CD1 C 13 133.005 0.001 . 1 . . . . . 27 TYR CD1 . 50491 1
308 . 1 . 1 27 27 TYR CD2 C 13 133.005 0.001 . 1 . . . . . 27 TYR CD2 . 50491 1
309 . 1 . 1 27 27 TYR CE1 C 13 117.893 0.041 . 1 . . . . . 27 TYR CE1 . 50491 1
310 . 1 . 1 27 27 TYR CE2 C 13 117.893 0.041 . 1 . . . . . 27 TYR CE2 . 50491 1
311 . 1 . 1 28 28 ORN H H 1 7.774 0.003 . 1 . . . . . 28 ORN H . 50491 1
312 . 1 . 1 28 28 ORN HA H 1 4.327 0.003 . 1 . . . . . 28 ORN HA . 50491 1
313 . 1 . 1 28 28 ORN HB2 H 1 1.674 0.005 . 2 . . . . . 28 ORN HB2 . 50491 1
314 . 1 . 1 28 28 ORN HB3 H 1 1.762 0.003 . 2 . . . . . 28 ORN HB3 . 50491 1
315 . 1 . 1 28 28 ORN HG2 H 1 1.622 0.001 . 2 . . . . . 28 ORN HG2 . 50491 1
316 . 1 . 1 28 28 ORN HG3 H 1 1.680 0.000 . 2 . . . . . 28 ORN HG3 . 50491 1
317 . 1 . 1 28 28 ORN HD2 H 1 2.964 0.006 . 2 . . . . . 28 ORN HD2 . 50491 1
318 . 1 . 1 28 28 ORN HD3 H 1 2.964 0.006 . 2 . . . . . 28 ORN HD3 . 50491 1
319 . 1 . 1 28 28 ORN HE1 H 1 7.595 0.004 . 2 . . . . . 28 ORN HE2 . 50491 1
320 . 1 . 1 28 28 ORN HE2 H 1 7.595 0.004 . 2 . . . . . 28 ORN HE3 . 50491 1
321 . 1 . 1 28 28 ORN CA C 13 55.174 0.092 . 1 . . . . . 28 ORN CA . 50491 1
322 . 1 . 1 28 28 ORN CB C 13 29.903 0.029 . 1 . . . . . 28 ORN CB . 50491 1
323 . 1 . 1 28 28 ORN CD C 13 41.811 0.000 . 1 . . . . . 28 ORN CD . 50491 1
324 . 1 . 1 29 29 TRP H H 1 8.143 0.001 . 1 . . . . . 29 TRP H . 50491 1
325 . 1 . 1 29 29 TRP HA H 1 4.540 0.005 . 1 . . . . . 29 TRP HA . 50491 1
326 . 1 . 1 29 29 TRP HB2 H 1 3.225 0.004 . 2 . . . . . 29 TRP HB2 . 50491 1
327 . 1 . 1 29 29 TRP HB3 H 1 3.329 0.005 . 2 . . . . . 29 TRP HB3 . 50491 1
328 . 1 . 1 29 29 TRP HD1 H 1 7.332 0.002 . 1 . . . . . 29 TRP HD1 . 50491 1
329 . 1 . 1 29 29 TRP HE1 H 1 10.565 0.000 . 1 . . . . . 29 TRP HE1 . 50491 1
330 . 1 . 1 29 29 TRP HE3 H 1 7.719 0.001 . 1 . . . . . 29 TRP HE3 . 50491 1
331 . 1 . 1 29 29 TRP HZ2 H 1 7.433 0.003 . 1 . . . . . 29 TRP HZ2 . 50491 1
332 . 1 . 1 29 29 TRP HZ3 H 1 7.066 0.004 . 1 . . . . . 29 TRP HZ3 . 50491 1
333 . 1 . 1 29 29 TRP HH2 H 1 7.076 0.007 . 1 . . . . . 29 TRP HH2 . 50491 1
334 . 1 . 1 29 29 TRP CA C 13 57.666 0.000 . 1 . . . . . 29 TRP CA . 50491 1
335 . 1 . 1 29 29 TRP CB C 13 29.909 0.010 . 1 . . . . . 29 TRP CB . 50491 1
336 . 1 . 1 29 29 TRP CD1 C 13 127.543 0.076 . 1 . . . . . 29 TRP CD1 . 50491 1
337 . 1 . 1 29 29 TRP CE3 C 13 121.171 0.001 . 1 . . . . . 29 TRP CE3 . 50491 1
338 . 1 . 1 29 29 TRP CZ2 C 13 114.552 0.039 . 1 . . . . . 29 TRP CZ2 . 50491 1
339 . 1 . 1 29 29 TRP CZ3 C 13 121.706 0.020 . 1 . . . . . 29 TRP CZ3 . 50491 1
340 . 1 . 1 29 29 TRP CH2 C 13 124.154 0.000 . 1 . . . . . 29 TRP CH2 . 50491 1
341 . 1 . 1 30 30 ORN H H 1 8.350 0.002 . 1 . . . . . 30 ORN H . 50491 1
342 . 1 . 1 30 30 ORN HA H 1 4.217 0.004 . 1 . . . . . 30 ORN HA . 50491 1
343 . 1 . 1 30 30 ORN HB2 H 1 1.662 0.004 . 2 . . . . . 30 ORN HB2 . 50491 1
344 . 1 . 1 30 30 ORN HB3 H 1 1.822 0.003 . 2 . . . . . 30 ORN HB3 . 50491 1
345 . 1 . 1 30 30 ORN HG2 H 1 1.597 0.004 . 2 . . . . . 30 ORN HG2 . 50491 1
346 . 1 . 1 30 30 ORN HG3 H 1 1.644 0.002 . 2 . . . . . 30 ORN HG3 . 50491 1
347 . 1 . 1 30 30 ORN HD2 H 1 2.953 0.005 . 2 . . . . . 30 ORN HD2 . 50491 1
348 . 1 . 1 30 30 ORN HD3 H 1 2.953 0.005 . 2 . . . . . 30 ORN HD3 . 50491 1
349 . 1 . 1 30 30 ORN HE1 H 1 7.643 0.000 . 2 . . . . . 30 ORN HE2 . 50491 1
350 . 1 . 1 30 30 ORN HE2 H 1 7.643 0.000 . 2 . . . . . 30 ORN HE3 . 50491 1
351 . 1 . 1 30 30 ORN CA C 13 55.695 0.084 . 1 . . . . . 30 ORN CA . 50491 1
352 . 1 . 1 30 30 ORN CB C 13 30.622 0.028 . 1 . . . . . 30 ORN CB . 50491 1
353 . 1 . 1 30 30 ORN CG C 13 26.009 0.081 . 1 . . . . . 30 ORN CG . 50491 1
354 . 1 . 1 30 30 ORN CD C 13 41.961 0.000 . 1 . . . . . 30 ORN CD . 50491 1
355 . 1 . 1 31 31 NH2 HN1 H 1 7.015 0.000 . 2 . . . . . 31 NH2 HN1 . 50491 1
356 . 1 . 1 31 31 NH2 HN2 H 1 7.091 0.001 . 2 . . . . . 31 NH2 HN2 . 50491 1
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