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 50487
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name Orn-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' . . . 50487 1
3 '2D 1H-1H TOCSY' . . . 50487 1
4 '2D 1H-1H NOESY' . . . 50487 1
5 '2D 1H-13C HSQC aliphatic' . . . 50487 1
6 '2D 1H-13C HSQC aromatic' . . . 50487 1
8 '2D 1H-1H TOCSY' . . . 50487 1
10 '2D 1H-13C HSQC aliphatic' . . . 50487 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 . . 50487 1
2 $software_2 . . 50487 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 4.404 0.003 . 1 . . . . . 1 ORN HA . 50487 1
2 . 1 . 1 1 1 ORN HB2 H 1 1.956 0.001 . 2 . . . . . 1 ORN HB2 . 50487 1
3 . 1 . 1 1 1 ORN HB3 H 1 1.956 0.001 . 2 . . . . . 1 ORN HB3 . 50487 1
4 . 1 . 1 1 1 ORN HG2 H 1 1.748 0.002 . 2 . . . . . 1 ORN HG2 . 50487 1
5 . 1 . 1 1 1 ORN HG3 H 1 1.791 0.003 . 2 . . . . . 1 ORN HG3 . 50487 1
6 . 1 . 1 1 1 ORN HD2 H 1 3.033 0.004 . 2 . . . . . 1 ORN HD2 . 50487 1
7 . 1 . 1 1 1 ORN HD3 H 1 3.033 0.004 . 2 . . . . . 1 ORN HD3 . 50487 1
8 . 1 . 1 1 1 ORN CA C 13 53.930 0.097 . 1 . . . . . 1 ORN CA . 50487 1
9 . 1 . 1 1 1 ORN CB C 13 29.625 0.000 . 1 . . . . . 1 ORN CB . 50487 1
10 . 1 . 1 1 1 ORN CG C 13 24.809 0.002 . 1 . . . . . 1 ORN CG . 50487 1
11 . 1 . 1 2 2 PRO HA H 1 4.468 0.003 . 1 . . . . . 2 PRO HA . 50487 1
12 . 1 . 1 2 2 PRO HB2 H 1 1.833 0.002 . 2 . . . . . 2 PRO HB2 . 50487 1
13 . 1 . 1 2 2 PRO HB3 H 1 2.303 0.001 . 2 . . . . . 2 PRO HB3 . 50487 1
14 . 1 . 1 2 2 PRO HG2 H 1 1.991 0.003 . 2 . . . . . 2 PRO HG2 . 50487 1
15 . 1 . 1 2 2 PRO HG3 H 1 1.991 0.003 . 2 . . . . . 2 PRO HG3 . 50487 1
16 . 1 . 1 2 2 PRO HD2 H 1 3.586 0.003 . 2 . . . . . 2 PRO HD2 . 50487 1
17 . 1 . 1 2 2 PRO HD3 H 1 3.741 0.002 . 2 . . . . . 2 PRO HD3 . 50487 1
18 . 1 . 1 2 2 PRO CA C 13 62.989 0.031 . 1 . . . . . 2 PRO CA . 50487 1
19 . 1 . 1 2 2 PRO CB C 13 32.251 0.011 . 1 . . . . . 2 PRO CB . 50487 1
20 . 1 . 1 2 2 PRO CG C 13 27.410 0.000 . 1 . . . . . 2 PRO CG . 50487 1
21 . 1 . 1 2 2 PRO CD C 13 50.708 0.011 . 1 . . . . . 2 PRO CD . 50487 1
22 . 1 . 1 3 3 PHE H H 1 8.673 0.001 . 1 . . . . . 3 PHE H . 50487 1
23 . 1 . 1 3 3 PHE HA H 1 4.733 0.006 . 1 . . . . . 3 PHE HA . 50487 1
24 . 1 . 1 3 3 PHE HB2 H 1 2.976 0.002 . 2 . . . . . 3 PHE HB2 . 50487 1
25 . 1 . 1 3 3 PHE HB3 H 1 3.108 0.002 . 2 . . . . . 3 PHE HB3 . 50487 1
26 . 1 . 1 3 3 PHE HD1 H 1 7.178 0.001 . 1 . . . . . 3 PHE HD1 . 50487 1
27 . 1 . 1 3 3 PHE HD2 H 1 7.178 0.001 . 1 . . . . . 3 PHE HD2 . 50487 1
28 . 1 . 1 3 3 PHE HE1 H 1 7.329 0.003 . 1 . . . . . 3 PHE HE1 . 50487 1
29 . 1 . 1 3 3 PHE HE2 H 1 7.329 0.003 . 1 . . . . . 3 PHE HE2 . 50487 1
30 . 1 . 1 3 3 PHE HZ H 1 7.285 0.000 . 1 . . . . . 3 PHE HZ . 50487 1
31 . 1 . 1 3 3 PHE CA C 13 57.638 0.000 . 1 . . . . . 3 PHE CA . 50487 1
32 . 1 . 1 3 3 PHE CB C 13 39.640 0.008 . 1 . . . . . 3 PHE CB . 50487 1
33 . 1 . 1 3 3 PHE CD1 C 13 131.622 0.000 . 1 . . . . . 3 PHE CD1 . 50487 1
34 . 1 . 1 3 3 PHE CD2 C 13 131.622 0.000 . 1 . . . . . 3 PHE CD2 . 50487 1
35 . 1 . 1 3 3 PHE CE1 C 13 131.569 0.000 . 1 . . . . . 3 PHE CE1 . 50487 1
36 . 1 . 1 3 3 PHE CE2 C 13 131.569 0.000 . 1 . . . . . 3 PHE CE2 . 50487 1
37 . 1 . 1 3 3 PHE CZ C 13 129.904 0.000 . 1 . . . . . 3 PHE CZ . 50487 1
38 . 1 . 1 4 4 THR H H 1 8.394 0.004 . 1 . . . . . 4 THR H . 50487 1
39 . 1 . 1 4 4 THR HA H 1 4.347 0.004 . 1 . . . . . 4 THR HA . 50487 1
40 . 1 . 1 4 4 THR HB H 1 4.318 0.001 . 1 . . . . . 4 THR HB . 50487 1
41 . 1 . 1 4 4 THR HG21 H 1 1.221 0.001 . 1 . . . . . 4 THR QG2 . 50487 1
42 . 1 . 1 4 4 THR HG22 H 1 1.221 0.001 . 1 . . . . . 4 THR QG2 . 50487 1
43 . 1 . 1 4 4 THR HG23 H 1 1.221 0.001 . 1 . . . . . 4 THR QG2 . 50487 1
44 . 1 . 1 4 4 THR CA C 13 61.133 0.074 . 1 . . . . . 4 THR CA . 50487 1
45 . 1 . 1 4 4 THR CB C 13 70.514 0.057 . 1 . . . . . 4 THR CB . 50487 1
46 . 1 . 1 4 4 THR CG2 C 13 21.592 0.000 . 1 . . . . . 4 THR CG2 . 50487 1
47 . 1 . 1 5 5 ORN H H 1 8.706 0.001 . 1 . . . . . 5 ORN H . 50487 1
48 . 1 . 1 5 5 ORN HA H 1 4.220 0.003 . 1 . . . . . 5 ORN HA . 50487 1
49 . 1 . 1 5 5 ORN HB2 H 1 1.822 0.004 . 2 . . . . . 5 ORN HB2 . 50487 1
50 . 1 . 1 5 5 ORN HB3 H 1 1.859 0.004 . 2 . . . . . 5 ORN HB3 . 50487 1
51 . 1 . 1 5 5 ORN HG2 H 1 1.749 0.004 . 2 . . . . . 5 ORN HG2 . 50487 1
52 . 1 . 1 5 5 ORN HG3 H 1 1.749 0.004 . 2 . . . . . 5 ORN HG3 . 50487 1
53 . 1 . 1 5 5 ORN HD2 H 1 3.021 0.002 . 2 . . . . . 5 ORN HD2 . 50487 1
54 . 1 . 1 5 5 ORN HD3 H 1 3.021 0.002 . 2 . . . . . 5 ORN HD3 . 50487 1
55 . 1 . 1 5 5 ORN CA C 13 57.365 0.038 . 1 . . . . . 5 ORN CA . 50487 1
56 . 1 . 1 5 5 ORN CB C 13 30.289 0.004 . 1 . . . . . 5 ORN CB . 50487 1
57 . 1 . 1 5 5 ORN CG C 13 26.143 0.000 . 1 . . . . . 5 ORN CG . 50487 1
58 . 1 . 1 5 5 ORN CD C 13 41.772 0.000 . 1 . . . . . 5 ORN CD . 50487 1
59 . 1 . 1 6 6 ALA H H 1 8.577 0.001 . 1 . . . . . 6 ALA H . 50487 1
60 . 1 . 1 6 6 ALA HA H 1 4.246 0.002 . 1 . . . . . 6 ALA HA . 50487 1
61 . 1 . 1 6 6 ALA HB1 H 1 1.367 0.005 . 1 . . . . . 6 ALA HB# . 50487 1
62 . 1 . 1 6 6 ALA HB2 H 1 1.367 0.005 . 1 . . . . . 6 ALA HB# . 50487 1
63 . 1 . 1 6 6 ALA HB3 H 1 1.367 0.005 . 1 . . . . . 6 ALA HB# . 50487 1
64 . 1 . 1 6 6 ALA CA C 13 53.490 0.050 . 1 . . . . . 6 ALA CA . 50487 1
65 . 1 . 1 6 6 ALA CB C 13 18.811 0.000 . 1 . . . . . 6 ALA CB . 50487 1
66 . 1 . 1 7 7 GLN H H 1 8.281 0.002 . 1 . . . . . 7 GLN H . 50487 1
67 . 1 . 1 7 7 GLN HA H 1 4.143 0.004 . 1 . . . . . 7 GLN HA . 50487 1
68 . 1 . 1 7 7 GLN HB2 H 1 1.837 0.003 . 2 . . . . . 7 GLN HB2 . 50487 1
69 . 1 . 1 7 7 GLN HB3 H 1 2.038 0.002 . 2 . . . . . 7 GLN HB3 . 50487 1
70 . 1 . 1 7 7 GLN HG2 H 1 2.270 0.005 . 2 . . . . . 7 GLN HG2 . 50487 1
71 . 1 . 1 7 7 GLN HG3 H 1 2.270 0.005 . 2 . . . . . 7 GLN HG3 . 50487 1
72 . 1 . 1 7 7 GLN HE21 H 1 6.963 0.000 . 2 . . . . . 7 GLN HE21 . 50487 1
73 . 1 . 1 7 7 GLN HE22 H 1 7.600 0.001 . 2 . . . . . 7 GLN HE22 . 50487 1
74 . 1 . 1 7 7 GLN CA C 13 56.799 0.040 . 1 . . . . . 7 GLN CA . 50487 1
75 . 1 . 1 7 7 GLN CB C 13 29.252 0.004 . 1 . . . . . 7 GLN CB . 50487 1
76 . 1 . 1 7 7 GLN CG C 13 34.059 0.000 . 1 . . . . . 7 GLN CG . 50487 1
77 . 1 . 1 8 8 TRP H H 1 8.400 0.001 . 1 . . . . . 8 TRP H . 50487 1
78 . 1 . 1 8 8 TRP HA H 1 4.471 0.005 . 1 . . . . . 8 TRP HA . 50487 1
79 . 1 . 1 8 8 TRP HB2 H 1 3.230 0.002 . 2 . . . . . 8 TRP HB2 . 50487 1
80 . 1 . 1 8 8 TRP HB3 H 1 3.230 0.002 . 2 . . . . . 8 TRP HB3 . 50487 1
81 . 1 . 1 8 8 TRP HD1 H 1 7.126 0.005 . 1 . . . . . 8 TRP HD1 . 50487 1
82 . 1 . 1 8 8 TRP HE1 H 1 10.163 0.000 . 1 . . . . . 8 TRP HE1 . 50487 1
83 . 1 . 1 8 8 TRP HE3 H 1 7.441 0.003 . 1 . . . . . 8 TRP HE3 . 50487 1
84 . 1 . 1 8 8 TRP HZ2 H 1 7.459 0.003 . 1 . . . . . 8 TRP HZ2 . 50487 1
85 . 1 . 1 8 8 TRP HZ3 H 1 7.115 0.002 . 1 . . . . . 8 TRP HZ3 . 50487 1
86 . 1 . 1 8 8 TRP HH2 H 1 7.220 0.003 . 1 . . . . . 8 TRP HH2 . 50487 1
87 . 1 . 1 8 8 TRP CA C 13 58.539 0.063 . 1 . . . . . 8 TRP CA . 50487 1
88 . 1 . 1 8 8 TRP CB C 13 29.750 0.000 . 1 . . . . . 8 TRP CB . 50487 1
89 . 1 . 1 8 8 TRP CD1 C 13 127.279 0.000 . 1 . . . . . 8 TRP CD1 . 50487 1
90 . 1 . 1 8 8 TRP CE3 C 13 120.779 0.000 . 1 . . . . . 8 TRP CE3 . 50487 1
91 . 1 . 1 8 8 TRP CZ2 C 13 114.731 0.000 . 1 . . . . . 8 TRP CZ2 . 50487 1
92 . 1 . 1 8 8 TRP CZ3 C 13 122.077 0.000 . 1 . . . . . 8 TRP CZ3 . 50487 1
93 . 1 . 1 8 8 TRP CH2 C 13 124.727 0.000 . 1 . . . . . 8 TRP CH2 . 50487 1
94 . 1 . 1 9 9 PHE H H 1 8.018 0.001 . 1 . . . . . 9 PHE H . 50487 1
95 . 1 . 1 9 9 PHE HA H 1 4.294 0.003 . 1 . . . . . 9 PHE HA . 50487 1
96 . 1 . 1 9 9 PHE HB2 H 1 2.946 0.004 . 2 . . . . . 9 PHE HB2 . 50487 1
97 . 1 . 1 9 9 PHE HB3 H 1 3.020 0.005 . 2 . . . . . 9 PHE HB3 . 50487 1
98 . 1 . 1 9 9 PHE HD1 H 1 7.179 0.003 . 1 . . . . . 9 PHE HD1 . 50487 1
99 . 1 . 1 9 9 PHE HD2 H 1 7.179 0.003 . 1 . . . . . 9 PHE HD2 . 50487 1
100 . 1 . 1 9 9 PHE HE1 H 1 7.278 0.001 . 1 . . . . . 9 PHE HE1 . 50487 1
101 . 1 . 1 9 9 PHE HE2 H 1 7.278 0.001 . 1 . . . . . 9 PHE HE2 . 50487 1
102 . 1 . 1 9 9 PHE HZ H 1 7.198 0.000 . 1 . . . . . 9 PHE HZ . 50487 1
103 . 1 . 1 9 9 PHE CA C 13 58.695 0.031 . 1 . . . . . 9 PHE CA . 50487 1
104 . 1 . 1 9 9 PHE CB C 13 39.754 0.008 . 1 . . . . . 9 PHE CB . 50487 1
105 . 1 . 1 9 9 PHE CD1 C 13 131.999 0.000 . 1 . . . . . 9 PHE CD1 . 50487 1
106 . 1 . 1 9 9 PHE CD2 C 13 131.999 0.000 . 1 . . . . . 9 PHE CD2 . 50487 1
107 . 1 . 1 9 9 PHE CE1 C 13 131.390 0.000 . 1 . . . . . 9 PHE CE1 . 50487 1
108 . 1 . 1 9 9 PHE CE2 C 13 131.390 0.000 . 1 . . . . . 9 PHE CE2 . 50487 1
109 . 1 . 1 9 9 PHE CZ C 13 129.857 0.000 . 1 . . . . . 9 PHE CZ . 50487 1
110 . 1 . 1 10 10 ALA H H 1 7.982 0.000 . 1 . . . . . 10 ALA H . 50487 1
111 . 1 . 1 10 10 ALA HA H 1 4.105 0.005 . 1 . . . . . 10 ALA HA . 50487 1
112 . 1 . 1 10 10 ALA HB1 H 1 1.392 0.003 . 1 . . . . . 10 ALA HB# . 50487 1
113 . 1 . 1 10 10 ALA HB2 H 1 1.392 0.003 . 1 . . . . . 10 ALA HB# . 50487 1
114 . 1 . 1 10 10 ALA HB3 H 1 1.392 0.003 . 1 . . . . . 10 ALA HB# . 50487 1
115 . 1 . 1 10 10 ALA CA C 13 53.189 0.046 . 1 . . . . . 10 ALA CA . 50487 1
116 . 1 . 1 10 10 ALA CB C 13 18.788 0.000 . 1 . . . . . 10 ALA CB . 50487 1
117 . 1 . 1 11 11 ILE H H 1 7.941 0.001 . 1 . . . . . 11 ILE H . 50487 1
118 . 1 . 1 11 11 ILE HA H 1 3.962 0.001 . 1 . . . . . 11 ILE HA . 50487 1
119 . 1 . 1 11 11 ILE HB H 1 1.778 0.001 . 1 . . . . . 11 ILE HB . 50487 1
120 . 1 . 1 11 11 ILE HG12 H 1 1.141 0.003 . 2 . . . . . 11 ILE HG12 . 50487 1
121 . 1 . 1 11 11 ILE HG13 H 1 1.444 0.003 . 2 . . . . . 11 ILE HG13 . 50487 1
122 . 1 . 1 11 11 ILE HG21 H 1 0.805 0.002 . 1 . . . . . 11 ILE QG2 . 50487 1
123 . 1 . 1 11 11 ILE HG22 H 1 0.805 0.002 . 1 . . . . . 11 ILE QG2 . 50487 1
124 . 1 . 1 11 11 ILE HG23 H 1 0.805 0.002 . 1 . . . . . 11 ILE QG2 . 50487 1
125 . 1 . 1 11 11 ILE HD11 H 1 0.736 0.002 . 1 . . . . . 11 ILE QD1 . 50487 1
126 . 1 . 1 11 11 ILE HD12 H 1 0.736 0.002 . 1 . . . . . 11 ILE QD1 . 50487 1
127 . 1 . 1 11 11 ILE HD13 H 1 0.736 0.002 . 1 . . . . . 11 ILE QD1 . 50487 1
128 . 1 . 1 11 11 ILE CA C 13 61.944 0.047 . 1 . . . . . 11 ILE CA . 50487 1
129 . 1 . 1 11 11 ILE CB C 13 38.631 0.000 . 1 . . . . . 11 ILE CB . 50487 1
130 . 1 . 1 11 11 ILE CG1 C 13 27.951 0.017 . 1 . . . . . 11 ILE CG1 . 50487 1
131 . 1 . 1 11 11 ILE CG2 C 13 17.330 0.000 . 1 . . . . . 11 ILE CG2 . 50487 1
132 . 1 . 1 11 11 ILE CD1 C 13 13.125 0.000 . 1 . . . . . 11 ILE CD1 . 50487 1
133 . 1 . 1 12 12 GLN H H 1 8.187 0.005 . 1 . . . . . 12 GLN H . 50487 1
134 . 1 . 1 12 12 GLN HA H 1 4.129 0.005 . 1 . . . . . 12 GLN HA . 50487 1
135 . 1 . 1 12 12 GLN HB2 H 1 1.804 0.008 . 2 . . . . . 12 GLN HB2 . 50487 1
136 . 1 . 1 12 12 GLN HB3 H 1 1.885 0.003 . 2 . . . . . 12 GLN HB3 . 50487 1
137 . 1 . 1 12 12 GLN HG2 H 1 2.139 0.002 . 2 . . . . . 12 GLN HG2 . 50487 1
138 . 1 . 1 12 12 GLN HG3 H 1 2.139 0.002 . 2 . . . . . 12 GLN HG3 . 50487 1
139 . 1 . 1 12 12 GLN HE21 H 1 6.831 0.001 . 2 . . . . . 12 GLN HE21 . 50487 1
140 . 1 . 1 12 12 GLN HE22 H 1 7.266 0.001 . 2 . . . . . 12 GLN HE22 . 50487 1
141 . 1 . 1 12 12 GLN CA C 13 55.791 0.050 . 1 . . . . . 12 GLN CA . 50487 1
142 . 1 . 1 12 12 GLN CB C 13 29.328 0.011 . 1 . . . . . 12 GLN CB . 50487 1
143 . 1 . 1 12 12 GLN CG C 13 33.654 0.000 . 1 . . . . . 12 GLN CG . 50487 1
144 . 1 . 1 13 13 HIS H H 1 8.397 0.003 . 1 . . . . . 13 HIS H . 50487 1
145 . 1 . 1 13 13 HIS HA H 1 4.608 0.005 . 1 . . . . . 13 HIS HA . 50487 1
146 . 1 . 1 13 13 HIS HB2 H 1 2.988 0.004 . 2 . . . . . 13 HIS HB2 . 50487 1
147 . 1 . 1 13 13 HIS HB3 H 1 3.193 0.001 . 2 . . . . . 13 HIS HB3 . 50487 1
148 . 1 . 1 13 13 HIS HD2 H 1 7.145 0.001 . 1 . . . . . 13 HIS HD2 . 50487 1
149 . 1 . 1 13 13 HIS HE1 H 1 8.429 0.001 . 1 . . . . . 13 HIS HE1 . 50487 1
150 . 1 . 1 13 13 HIS CA C 13 55.393 0.000 . 1 . . . . . 13 HIS CA . 50487 1
151 . 1 . 1 13 13 HIS CB C 13 28.785 0.006 . 1 . . . . . 13 HIS CB . 50487 1
152 . 1 . 1 13 13 HIS CD2 C 13 120.059 0.000 . 1 . . . . . 13 HIS CD2 . 50487 1
153 . 1 . 1 13 13 HIS CE1 C 13 136.236 0.000 . 1 . . . . . 13 HIS CE1 . 50487 1
154 . 1 . 1 14 14 ILE H H 1 8.231 0.002 . 1 . . . . . 14 ILE H . 50487 1
155 . 1 . 1 14 14 ILE HA H 1 4.174 0.002 . 1 . . . . . 14 ILE HA . 50487 1
156 . 1 . 1 14 14 ILE HB H 1 1.795 0.001 . 1 . . . . . 14 ILE HB . 50487 1
157 . 1 . 1 14 14 ILE HG12 H 1 1.140 0.004 . 2 . . . . . 14 ILE HG12 . 50487 1
158 . 1 . 1 14 14 ILE HG13 H 1 1.453 0.006 . 2 . . . . . 14 ILE HG13 . 50487 1
159 . 1 . 1 14 14 ILE HG21 H 1 0.868 0.003 . 1 . . . . . 14 ILE QG2 . 50487 1
160 . 1 . 1 14 14 ILE HG22 H 1 0.868 0.003 . 1 . . . . . 14 ILE QG2 . 50487 1
161 . 1 . 1 14 14 ILE HG23 H 1 0.868 0.003 . 1 . . . . . 14 ILE QG2 . 50487 1
162 . 1 . 1 14 14 ILE HD11 H 1 0.836 0.001 . 1 . . . . . 14 ILE QD1 . 50487 1
163 . 1 . 1 14 14 ILE HD12 H 1 0.836 0.001 . 1 . . . . . 14 ILE QD1 . 50487 1
164 . 1 . 1 14 14 ILE HD13 H 1 0.836 0.001 . 1 . . . . . 14 ILE QD1 . 50487 1
165 . 1 . 1 14 14 ILE CA C 13 60.858 0.054 . 1 . . . . . 14 ILE CA . 50487 1
166 . 1 . 1 14 14 ILE CB C 13 38.814 0.000 . 1 . . . . . 14 ILE CB . 50487 1
167 . 1 . 1 14 14 ILE CG1 C 13 27.951 0.017 . 1 . . . . . 14 ILE CG1 . 50487 1
168 . 1 . 1 14 14 ILE CG2 C 13 17.303 0.000 . 1 . . . . . 14 ILE CG2 . 50487 1
169 . 1 . 1 14 14 ILE CD1 C 13 12.779 0.000 . 1 . . . . . 14 ILE CD1 . 50487 1
170 . 1 . 1 15 15 SER H H 1 8.722 0.001 . 1 . . . . . 15 SER H . 50487 1
171 . 1 . 1 15 15 SER HA H 1 4.752 0.006 . 1 . . . . . 15 SER HA . 50487 1
172 . 1 . 1 15 15 SER HB2 H 1 3.824 0.001 . 2 . . . . . 15 SER HB2 . 50487 1
173 . 1 . 1 15 15 SER HB3 H 1 3.891 0.006 . 2 . . . . . 15 SER HB3 . 50487 1
174 . 1 . 1 15 15 SER CA C 13 56.394 0.000 . 1 . . . . . 15 SER CA . 50487 1
175 . 1 . 1 15 15 SER CB C 13 63.150 0.074 . 1 . . . . . 15 SER CB . 50487 1
176 . 1 . 1 16 16 PRO HA H 1 4.430 0.003 . 1 . . . . . 16 PRO HA . 50487 1
177 . 1 . 1 16 16 PRO HB2 H 1 1.924 0.005 . 2 . . . . . 16 PRO HB2 . 50487 1
178 . 1 . 1 16 16 PRO HB3 H 1 2.313 0.005 . 2 . . . . . 16 PRO HB3 . 50487 1
179 . 1 . 1 16 16 PRO HG2 H 1 2.030 0.004 . 2 . . . . . 16 PRO HG2 . 50487 1
180 . 1 . 1 16 16 PRO HG3 H 1 2.030 0.004 . 2 . . . . . 16 PRO HG3 . 50487 1
181 . 1 . 1 16 16 PRO HD2 H 1 3.753 0.004 . 2 . . . . . 16 PRO HD2 . 50487 1
182 . 1 . 1 16 16 PRO HD3 H 1 3.878 0.003 . 2 . . . . . 16 PRO HD3 . 50487 1
183 . 1 . 1 16 16 PRO CA C 13 63.252 0.002 . 1 . . . . . 16 PRO CA . 50487 1
184 . 1 . 1 16 16 PRO CB C 13 32.251 0.011 . 1 . . . . . 16 PRO CB . 50487 1
185 . 1 . 1 16 16 PRO CG C 13 27.462 0.000 . 1 . . . . . 16 PRO CG . 50487 1
186 . 1 . 1 16 16 PRO CD C 13 50.916 0.007 . 1 . . . . . 16 PRO CD . 50487 1
187 . 1 . 1 17 17 ORN H H 1 8.597 0.001 . 1 . . . . . 17 ORN H . 50487 1
188 . 1 . 1 17 17 ORN HA H 1 4.378 0.003 . 1 . . . . . 17 ORN HA . 50487 1
189 . 1 . 1 17 17 ORN HB2 H 1 1.784 0.002 . 2 . . . . . 17 ORN HB2 . 50487 1
190 . 1 . 1 17 17 ORN HB3 H 1 1.872 0.005 . 2 . . . . . 17 ORN HB3 . 50487 1
191 . 1 . 1 17 17 ORN HG2 H 1 1.778 0.000 . 2 . . . . . 17 ORN HG2 . 50487 1
192 . 1 . 1 17 17 ORN HG3 H 1 1.778 0.000 . 2 . . . . . 17 ORN HG3 . 50487 1
193 . 1 . 1 17 17 ORN HD2 H 1 3.024 0.002 . 2 . . . . . 17 ORN HD2 . 50487 1
194 . 1 . 1 17 17 ORN HD3 H 1 3.024 0.002 . 2 . . . . . 17 ORN HD3 . 50487 1
195 . 1 . 1 17 17 ORN CA C 13 55.986 0.055 . 1 . . . . . 17 ORN CA . 50487 1
196 . 1 . 1 17 17 ORN CB C 13 30.561 0.004 . 1 . . . . . 17 ORN CB . 50487 1
197 . 1 . 1 17 17 ORN CG C 13 26.233 0.000 . 1 . . . . . 17 ORN CG . 50487 1
198 . 1 . 1 18 18 THR H H 1 8.313 0.003 . 1 . . . . . 18 THR H . 50487 1
199 . 1 . 1 18 18 THR HA H 1 4.302 0.002 . 1 . . . . . 18 THR HA . 50487 1
200 . 1 . 1 18 18 THR HB H 1 4.149 0.002 . 1 . . . . . 18 THR HB . 50487 1
201 . 1 . 1 18 18 THR HG21 H 1 1.191 0.001 . 1 . . . . . 18 THR QG2 . 50487 1
202 . 1 . 1 18 18 THR HG22 H 1 1.191 0.001 . 1 . . . . . 18 THR QG2 . 50487 1
203 . 1 . 1 18 18 THR HG23 H 1 1.191 0.001 . 1 . . . . . 18 THR QG2 . 50487 1
204 . 1 . 1 18 18 THR CA C 13 62.073 0.063 . 1 . . . . . 18 THR CA . 50487 1
205 . 1 . 1 18 18 THR CB C 13 69.925 0.079 . 1 . . . . . 18 THR CB . 50487 1
206 . 1 . 1 18 18 THR CG2 C 13 21.717 0.000 . 1 . . . . . 18 THR CG2 . 50487 1
207 . 1 . 1 19 19 ILE H H 1 8.400 0.002 . 1 . . . . . 19 ILE H . 50487 1
208 . 1 . 1 19 19 ILE HA H 1 4.124 0.005 . 1 . . . . . 19 ILE HA . 50487 1
209 . 1 . 1 19 19 ILE HB H 1 1.839 0.002 . 1 . . . . . 19 ILE HB . 50487 1
210 . 1 . 1 19 19 ILE HG12 H 1 1.180 0.008 . 2 . . . . . 19 ILE HG12 . 50487 1
211 . 1 . 1 19 19 ILE HG13 H 1 1.481 0.005 . 2 . . . . . 19 ILE HG13 . 50487 1
212 . 1 . 1 19 19 ILE HG21 H 1 0.909 0.004 . 1 . . . . . 19 ILE QG2 . 50487 1
213 . 1 . 1 19 19 ILE HG22 H 1 0.909 0.004 . 1 . . . . . 19 ILE QG2 . 50487 1
214 . 1 . 1 19 19 ILE HG23 H 1 0.909 0.004 . 1 . . . . . 19 ILE QG2 . 50487 1
215 . 1 . 1 19 19 ILE HD11 H 1 0.864 0.003 . 1 . . . . . 19 ILE QD1 . 50487 1
216 . 1 . 1 19 19 ILE HD12 H 1 0.864 0.003 . 1 . . . . . 19 ILE QD1 . 50487 1
217 . 1 . 1 19 19 ILE HD13 H 1 0.864 0.003 . 1 . . . . . 19 ILE QD1 . 50487 1
218 . 1 . 1 19 19 ILE CA C 13 61.047 0.037 . 1 . . . . . 19 ILE CA . 50487 1
219 . 1 . 1 19 19 ILE CB C 13 38.849 0.000 . 1 . . . . . 19 ILE CB . 50487 1
220 . 1 . 1 19 19 ILE CG1 C 13 27.335 0.003 . 1 . . . . . 19 ILE CG1 . 50487 1
221 . 1 . 1 19 19 ILE CG2 C 13 17.385 0.000 . 1 . . . . . 19 ILE CG2 . 50487 1
222 . 1 . 1 19 19 ILE CD1 C 13 12.937 0.000 . 1 . . . . . 19 ILE CD1 . 50487 1
223 . 1 . 1 20 20 ALA H H 1 8.506 0.001 . 1 . . . . . 20 ALA H . 50487 1
224 . 1 . 1 20 20 ALA HA H 1 4.295 0.003 . 1 . . . . . 20 ALA HA . 50487 1
225 . 1 . 1 20 20 ALA HB1 H 1 1.370 0.001 . 1 . . . . . 20 ALA HB# . 50487 1
226 . 1 . 1 20 20 ALA HB2 H 1 1.370 0.001 . 1 . . . . . 20 ALA HB# . 50487 1
227 . 1 . 1 20 20 ALA HB3 H 1 1.370 0.001 . 1 . . . . . 20 ALA HB# . 50487 1
228 . 1 . 1 20 20 ALA CA C 13 52.416 0.055 . 1 . . . . . 20 ALA CA . 50487 1
229 . 1 . 1 20 20 ALA CB C 13 19.117 0.000 . 1 . . . . . 20 ALA CB . 50487 1
230 . 1 . 1 21 21 MET H H 1 8.490 0.001 . 1 . . . . . 21 MET H . 50487 1
231 . 1 . 1 21 21 MET HA H 1 4.418 0.003 . 1 . . . . . 21 MET HA . 50487 1
232 . 1 . 1 21 21 MET HB2 H 1 2.006 0.004 . 2 . . . . . 21 MET HB2 . 50487 1
233 . 1 . 1 21 21 MET HB3 H 1 2.045 0.001 . 2 . . . . . 21 MET HB3 . 50487 1
234 . 1 . 1 21 21 MET HG2 H 1 2.559 0.003 . 2 . . . . . 21 MET HG2 . 50487 1
235 . 1 . 1 21 21 MET HG3 H 1 2.617 0.005 . 2 . . . . . 21 MET HG3 . 50487 1
236 . 1 . 1 21 21 MET HE1 H 1 2.095 0.000 . 1 . . . . . 21 MET HE# . 50487 1
237 . 1 . 1 21 21 MET HE2 H 1 2.095 0.000 . 1 . . . . . 21 MET HE# . 50487 1
238 . 1 . 1 21 21 MET HE3 H 1 2.095 0.000 . 1 . . . . . 21 MET HE# . 50487 1
239 . 1 . 1 21 21 MET CA C 13 55.428 0.062 . 1 . . . . . 21 MET CA . 50487 1
240 . 1 . 1 21 21 MET CB C 13 33.064 0.001 . 1 . . . . . 21 MET CB . 50487 1
241 . 1 . 1 21 21 MET CG C 13 31.924 0.011 . 1 . . . . . 21 MET CG . 50487 1
242 . 1 . 1 21 21 MET CE C 13 16.951 0.000 . 1 . . . . . 21 MET CE . 50487 1
243 . 1 . 1 22 22 ORN H H 1 8.515 0.006 . 1 . . . . . 22 ORN H . 50487 1
244 . 1 . 1 22 22 ORN HA H 1 4.310 0.004 . 1 . . . . . 22 ORN HA . 50487 1
245 . 1 . 1 22 22 ORN HB2 H 1 1.766 0.004 . 2 . . . . . 22 ORN HB2 . 50487 1
246 . 1 . 1 22 22 ORN HB3 H 1 1.846 0.002 . 2 . . . . . 22 ORN HB3 . 50487 1
247 . 1 . 1 22 22 ORN HG2 H 1 1.745 0.003 . 2 . . . . . 22 ORN HG2 . 50487 1
248 . 1 . 1 22 22 ORN HG3 H 1 1.745 0.003 . 2 . . . . . 22 ORN HG3 . 50487 1
249 . 1 . 1 22 22 ORN HD2 H 1 3.023 0.000 . 2 . . . . . 22 ORN HD2 . 50487 1
250 . 1 . 1 22 22 ORN HD3 H 1 3.023 0.000 . 2 . . . . . 22 ORN HD3 . 50487 1
251 . 1 . 1 22 22 ORN CA C 13 55.826 0.069 . 1 . . . . . 22 ORN CA . 50487 1
252 . 1 . 1 22 22 ORN CB C 13 30.693 0.006 . 1 . . . . . 22 ORN CB . 50487 1
253 . 1 . 1 22 22 ORN CG C 13 26.143 0.000 . 1 . . . . . 22 ORN CG . 50487 1
254 . 1 . 1 23 23 ALA H H 1 8.500 0.004 . 1 . . . . . 23 ALA H . 50487 1
255 . 1 . 1 23 23 ALA HA H 1 4.290 0.004 . 1 . . . . . 23 ALA HA . 50487 1
256 . 1 . 1 23 23 ALA HB1 H 1 1.372 0.003 . 1 . . . . . 23 ALA HB# . 50487 1
257 . 1 . 1 23 23 ALA HB2 H 1 1.372 0.003 . 1 . . . . . 23 ALA HB# . 50487 1
258 . 1 . 1 23 23 ALA HB3 H 1 1.372 0.003 . 1 . . . . . 23 ALA HB# . 50487 1
259 . 1 . 1 23 23 ALA CA C 13 52.416 0.055 . 1 . . . . . 23 ALA CA . 50487 1
260 . 1 . 1 23 23 ALA CB C 13 19.117 0.000 . 1 . . . . . 23 ALA CB . 50487 1
261 . 1 . 1 24 24 ILE H H 1 8.348 0.001 . 1 . . . . . 24 ILE H . 50487 1
262 . 1 . 1 24 24 ILE HA H 1 4.103 0.002 . 1 . . . . . 24 ILE HA . 50487 1
263 . 1 . 1 24 24 ILE HB H 1 1.831 0.001 . 1 . . . . . 24 ILE HB . 50487 1
264 . 1 . 1 24 24 ILE HG12 H 1 1.180 0.007 . 2 . . . . . 24 ILE HG12 . 50487 1
265 . 1 . 1 24 24 ILE HG13 H 1 1.479 0.003 . 2 . . . . . 24 ILE HG13 . 50487 1
266 . 1 . 1 24 24 ILE HG21 H 1 0.886 0.003 . 1 . . . . . 24 ILE QG2 . 50487 1
267 . 1 . 1 24 24 ILE HG22 H 1 0.886 0.003 . 1 . . . . . 24 ILE QG2 . 50487 1
268 . 1 . 1 24 24 ILE HG23 H 1 0.886 0.003 . 1 . . . . . 24 ILE QG2 . 50487 1
269 . 1 . 1 24 24 ILE HD11 H 1 0.861 0.004 . 1 . . . . . 24 ILE QD1 . 50487 1
270 . 1 . 1 24 24 ILE HD12 H 1 0.861 0.004 . 1 . . . . . 24 ILE QD1 . 50487 1
271 . 1 . 1 24 24 ILE HD13 H 1 0.861 0.004 . 1 . . . . . 24 ILE QD1 . 50487 1
272 . 1 . 1 24 24 ILE CA C 13 61.172 0.034 . 1 . . . . . 24 ILE CA . 50487 1
273 . 1 . 1 24 24 ILE CB C 13 38.843 0.000 . 1 . . . . . 24 ILE CB . 50487 1
274 . 1 . 1 24 24 ILE CG1 C 13 27.335 0.003 . 1 . . . . . 24 ILE CG1 . 50487 1
275 . 1 . 1 24 24 ILE CG2 C 13 17.564 0.000 . 1 . . . . . 24 ILE CG2 . 50487 1
276 . 1 . 1 24 24 ILE CD1 C 13 12.936 0.000 . 1 . . . . . 24 ILE CD1 . 50487 1
277 . 1 . 1 25 25 ASN H H 1 8.602 0.001 . 1 . . . . . 25 ASN H . 50487 1
278 . 1 . 1 25 25 ASN HA H 1 4.670 0.004 . 1 . . . . . 25 ASN HA . 50487 1
279 . 1 . 1 25 25 ASN HB2 H 1 2.675 0.004 . 2 . . . . . 25 ASN HB2 . 50487 1
280 . 1 . 1 25 25 ASN HB3 H 1 2.717 0.003 . 2 . . . . . 25 ASN HB3 . 50487 1
281 . 1 . 1 25 25 ASN HD21 H 1 6.983 0.000 . 2 . . . . . 25 ASN HD21 . 50487 1
282 . 1 . 1 25 25 ASN HD22 H 1 7.662 0.000 . 2 . . . . . 25 ASN HD22 . 50487 1
283 . 1 . 1 25 25 ASN CA C 13 53.020 0.000 . 1 . . . . . 25 ASN CA . 50487 1
284 . 1 . 1 25 25 ASN CB C 13 38.951 0.003 . 1 . . . . . 25 ASN CB . 50487 1
285 . 1 . 1 26 26 ASN H H 1 8.508 0.001 . 1 . . . . . 26 ASN H . 50487 1
286 . 1 . 1 26 26 ASN HA H 1 4.679 0.005 . 1 . . . . . 26 ASN HA . 50487 1
287 . 1 . 1 26 26 ASN HB2 H 1 2.683 0.002 . 2 . . . . . 26 ASN HB2 . 50487 1
288 . 1 . 1 26 26 ASN HB3 H 1 2.753 0.003 . 2 . . . . . 26 ASN HB3 . 50487 1
289 . 1 . 1 26 26 ASN HD21 H 1 6.940 0.001 . 2 . . . . . 26 ASN HD21 . 50487 1
290 . 1 . 1 26 26 ASN HD22 H 1 7.642 0.000 . 2 . . . . . 26 ASN HD22 . 50487 1
291 . 1 . 1 26 26 ASN CA C 13 52.841 0.000 . 1 . . . . . 26 ASN CA . 50487 1
292 . 1 . 1 26 26 ASN CB C 13 38.768 0.006 . 1 . . . . . 26 ASN CB . 50487 1
293 . 1 . 1 27 27 TYR H H 1 8.244 0.001 . 1 . . . . . 27 TYR H . 50487 1
294 . 1 . 1 27 27 TYR HA H 1 4.437 0.003 . 1 . . . . . 27 TYR HA . 50487 1
295 . 1 . 1 27 27 TYR HB2 H 1 2.915 0.002 . 2 . . . . . 27 TYR HB2 . 50487 1
296 . 1 . 1 27 27 TYR HB3 H 1 2.915 0.002 . 2 . . . . . 27 TYR HB3 . 50487 1
297 . 1 . 1 27 27 TYR HD1 H 1 7.025 0.002 . 1 . . . . . 27 TYR HD1 . 50487 1
298 . 1 . 1 27 27 TYR HD2 H 1 7.025 0.002 . 1 . . . . . 27 TYR HD2 . 50487 1
299 . 1 . 1 27 27 TYR HE1 H 1 6.784 0.004 . 1 . . . . . 27 TYR HE1 . 50487 1
300 . 1 . 1 27 27 TYR HE2 H 1 6.784 0.004 . 1 . . . . . 27 TYR HE2 . 50487 1
301 . 1 . 1 27 27 TYR CA C 13 58.367 0.061 . 1 . . . . . 27 TYR CA . 50487 1
302 . 1 . 1 27 27 TYR CB C 13 38.474 0.000 . 1 . . . . . 27 TYR CB . 50487 1
303 . 1 . 1 27 27 TYR CD1 C 13 133.194 0.000 . 1 . . . . . 27 TYR CD1 . 50487 1
304 . 1 . 1 27 27 TYR CD2 C 13 133.194 0.000 . 1 . . . . . 27 TYR CD2 . 50487 1
305 . 1 . 1 27 27 TYR CE1 C 13 118.220 0.000 . 1 . . . . . 27 TYR CE1 . 50487 1
306 . 1 . 1 27 27 TYR CE2 C 13 118.220 0.000 . 1 . . . . . 27 TYR CE2 . 50487 1
307 . 1 . 1 28 28 ORN H H 1 8.185 0.001 . 1 . . . . . 28 ORN H . 50487 1
308 . 1 . 1 28 28 ORN HA H 1 4.250 0.002 . 1 . . . . . 28 ORN HA . 50487 1
309 . 1 . 1 28 28 ORN HB2 H 1 1.631 0.001 . 2 . . . . . 28 ORN HB2 . 50487 1
310 . 1 . 1 28 28 ORN HB3 H 1 1.731 0.003 . 2 . . . . . 28 ORN HB3 . 50487 1
311 . 1 . 1 28 28 ORN HG2 H 1 1.579 0.006 . 2 . . . . . 28 ORN HG2 . 50487 1
312 . 1 . 1 28 28 ORN HG3 H 1 1.579 0.006 . 2 . . . . . 28 ORN HG3 . 50487 1
313 . 1 . 1 28 28 ORN HD2 H 1 2.956 0.003 . 2 . . . . . 28 ORN HD2 . 50487 1
314 . 1 . 1 28 28 ORN HD3 H 1 2.956 0.003 . 2 . . . . . 28 ORN HD3 . 50487 1
315 . 1 . 1 28 28 ORN HE1 H 1 7.627 0.000 . 2 . . . . . 28 ORN QE . 50487 1
316 . 1 . 1 28 28 ORN HE2 H 1 7.627 0.000 . 2 . . . . . 28 ORN QE . 50487 1
317 . 1 . 1 28 28 ORN CA C 13 55.487 0.065 . 1 . . . . . 28 ORN CA . 50487 1
318 . 1 . 1 28 28 ORN CB C 13 30.575 0.003 . 1 . . . . . 28 ORN CB . 50487 1
319 . 1 . 1 28 28 ORN CG C 13 25.991 0.000 . 1 . . . . . 28 ORN CG . 50487 1
320 . 1 . 1 28 28 ORN CD C 13 41.756 0.000 . 1 . . . . . 28 ORN CD . 50487 1
321 . 1 . 1 29 29 TRP H H 1 8.262 0.002 . 1 . . . . . 29 TRP H . 50487 1
322 . 1 . 1 29 29 TRP HA H 1 4.507 0.003 . 1 . . . . . 29 TRP HA . 50487 1
323 . 1 . 1 29 29 TRP HB2 H 1 3.265 0.001 . 2 . . . . . 29 TRP HB2 . 50487 1
324 . 1 . 1 29 29 TRP HB3 H 1 3.265 0.001 . 2 . . . . . 29 TRP HB3 . 50487 1
325 . 1 . 1 29 29 TRP HD1 H 1 7.282 0.001 . 1 . . . . . 29 TRP HD1 . 50487 1
326 . 1 . 1 29 29 TRP HE1 H 1 10.236 0.002 . 1 . . . . . 29 TRP HE1 . 50487 1
327 . 1 . 1 29 29 TRP HE3 H 1 7.646 0.001 . 1 . . . . . 29 TRP HE3 . 50487 1
328 . 1 . 1 29 29 TRP HZ2 H 1 7.463 0.002 . 1 . . . . . 29 TRP HZ2 . 50487 1
329 . 1 . 1 29 29 TRP HZ3 H 1 7.161 0.003 . 1 . . . . . 29 TRP HZ3 . 50487 1
330 . 1 . 1 29 29 TRP HH2 H 1 7.225 0.004 . 1 . . . . . 29 TRP HH2 . 50487 1
331 . 1 . 1 29 29 TRP CA C 13 57.822 0.028 . 1 . . . . . 29 TRP CA . 50487 1
332 . 1 . 1 29 29 TRP CB C 13 29.466 0.000 . 1 . . . . . 29 TRP CB . 50487 1
333 . 1 . 1 29 29 TRP CD1 C 13 127.423 0.000 . 1 . . . . . 29 TRP CD1 . 50487 1
334 . 1 . 1 29 29 TRP CE3 C 13 121.052 0.000 . 1 . . . . . 29 TRP CE3 . 50487 1
335 . 1 . 1 29 29 TRP CZ2 C 13 114.731 0.000 . 1 . . . . . 29 TRP CZ2 . 50487 1
336 . 1 . 1 29 29 TRP CZ3 C 13 122.241 0.000 . 1 . . . . . 29 TRP CZ3 . 50487 1
337 . 1 . 1 29 29 TRP CH2 C 13 124.834 0.000 . 1 . . . . . 29 TRP CH2 . 50487 1
338 . 1 . 1 30 30 ORN H H 1 8.160 0.001 . 1 . . . . . 30 ORN H . 50487 1
339 . 1 . 1 30 30 ORN HA H 1 4.121 0.003 . 1 . . . . . 30 ORN HA . 50487 1
340 . 1 . 1 30 30 ORN HB2 H 1 1.544 0.003 . 2 . . . . . 30 ORN HB2 . 50487 1
341 . 1 . 1 30 30 ORN HB3 H 1 1.736 0.002 . 2 . . . . . 30 ORN HB3 . 50487 1
342 . 1 . 1 30 30 ORN HG2 H 1 1.534 0.003 . 2 . . . . . 30 ORN HG2 . 50487 1
343 . 1 . 1 30 30 ORN HG3 H 1 1.534 0.003 . 2 . . . . . 30 ORN HG3 . 50487 1
344 . 1 . 1 30 30 ORN HD2 H 1 2.906 0.003 . 2 . . . . . 30 ORN HD2 . 50487 1
345 . 1 . 1 30 30 ORN HD3 H 1 2.906 0.003 . 2 . . . . . 30 ORN HD3 . 50487 1
346 . 1 . 1 30 30 ORN HE1 H 1 7.593 0.000 . 2 . . . . . 30 ORN QE . 50487 1
347 . 1 . 1 30 30 ORN HE2 H 1 7.593 0.000 . 2 . . . . . 30 ORN QE . 50487 1
348 . 1 . 1 30 30 ORN CA C 13 55.412 0.094 . 1 . . . . . 30 ORN CA . 50487 1
349 . 1 . 1 30 30 ORN CB C 13 30.693 0.006 . 1 . . . . . 30 ORN CB . 50487 1
350 . 1 . 1 30 30 ORN CG C 13 25.897 0.000 . 1 . . . . . 30 ORN CG . 50487 1
351 . 1 . 1 30 30 ORN CD C 13 41.740 0.000 . 1 . . . . . 30 ORN CD . 50487 1
352 . 1 . 1 31 31 NH2 HN1 H 1 6.758 0.002 . 2 . . . . . 31 NH2 HN1 . 50487 1
353 . 1 . 1 31 31 NH2 HN2 H 1 6.935 0.000 . 2 . . . . . 31 NH2 HN2 . 50487 1
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