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 50488
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name opOrn-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' . . . 50488 1
3 '2D 1H-1H TOCSY' . . . 50488 1
4 '2D 1H-1H NOESY' . . . 50488 1
5 '2D 1H-13C HSQC aliphatic' . . . 50488 1
6 '2D 1H-13C HSQC aromatic' . . . 50488 1
8 '2D 1H-1H TOCSY' . . . 50488 1
10 '2D 1H-13C HSQC aliphatic' . . . 50488 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 . . 50488 1
2 $software_2 . . 50488 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 ORD HA H 1 4.374 0.002 . 1 . . . . . 1 DORN HA . 50488 1
2 . 1 . 1 1 1 ORD HB2 H 1 1.913 0.001 . 2 . . . . . 1 DORN HB2 . 50488 1
3 . 1 . 1 1 1 ORD HB3 H 1 1.913 0.001 . 2 . . . . . 1 DORN HB3 . 50488 1
4 . 1 . 1 1 1 ORD HG2 H 1 1.716 0.000 . 2 . . . . . 1 DORN HG2 . 50488 1
5 . 1 . 1 1 1 ORD HG3 H 1 1.764 0.000 . 2 . . . . . 1 DORN HG3 . 50488 1
6 . 1 . 1 1 1 ORD CA C 13 53.938 0.064 . 1 . . . . . 1 DORN CA . 50488 1
7 . 1 . 1 1 1 ORD CB C 13 29.568 0.000 . 1 . . . . . 1 DORN CB . 50488 1
8 . 1 . 1 1 1 ORD CG C 13 24.686 0.010 . 1 . . . . . 1 DORN CG . 50488 1
9 . 1 . 1 2 2 DPR HA H 1 4.379 0.003 . 1 . . . . . 2 DPRO HA . 50488 1
10 . 1 . 1 2 2 DPR HB2 H 1 1.145 0.003 . 2 . . . . . 2 DPRO HB2 . 50488 1
11 . 1 . 1 2 2 DPR HB3 H 1 2.032 0.003 . 2 . . . . . 2 DPRO HB3 . 50488 1
12 . 1 . 1 2 2 DPR HG2 H 1 1.724 0.003 . 2 . . . . . 2 DPRO HG2 . 50488 1
13 . 1 . 1 2 2 DPR HG3 H 1 1.823 0.003 . 2 . . . . . 2 DPRO HG3 . 50488 1
14 . 1 . 1 2 2 DPR HD2 H 1 3.417 0.004 . 2 . . . . . 2 DPRO HD2 . 50488 1
15 . 1 . 1 2 2 DPR HD3 H 1 3.668 0.003 . 2 . . . . . 2 DPRO HD3 . 50488 1
16 . 1 . 1 2 2 DPR CA C 13 63.320 0.020 . 1 . . . . . 2 DPRO CA . 50488 1
17 . 1 . 1 2 2 DPR CB C 13 32.342 0.000 . 1 . . . . . 2 DPRO CB . 50488 1
18 . 1 . 1 2 2 DPR CG C 13 27.375 0.001 . 1 . . . . . 2 DPRO CG . 50488 1
19 . 1 . 1 2 2 DPR CD C 13 50.669 0.001 . 1 . . . . . 2 DPRO CD . 50488 1
20 . 1 . 1 3 3 PHE H H 1 8.711 0.003 . 1 . . . . . 3 PHE H . 50488 1
21 . 1 . 1 3 3 PHE HA H 1 5.050 0.000 . 1 . . . . . 3 PHE HA . 50488 1
22 . 1 . 1 3 3 PHE HB2 H 1 2.596 0.003 . 2 . . . . . 3 PHE HB2 . 50488 1
23 . 1 . 1 3 3 PHE HB3 H 1 3.280 0.003 . 2 . . . . . 3 PHE HB3 . 50488 1
24 . 1 . 1 3 3 PHE HD1 H 1 7.093 0.003 . 1 . . . . . 3 PHE HD1 . 50488 1
25 . 1 . 1 3 3 PHE HD2 H 1 7.093 0.003 . 1 . . . . . 3 PHE HD2 . 50488 1
26 . 1 . 1 3 3 PHE HE1 H 1 7.297 0.007 . 1 . . . . . 3 PHE HE1 . 50488 1
27 . 1 . 1 3 3 PHE HE2 H 1 7.297 0.007 . 1 . . . . . 3 PHE HE2 . 50488 1
28 . 1 . 1 3 3 PHE HZ H 1 7.264 0.000 . 1 . . . . . 3 PHE HZ . 50488 1
29 . 1 . 1 3 3 PHE CA C 13 56.565 0.000 . 1 . . . . . 3 PHE CA . 50488 1
30 . 1 . 1 3 3 PHE CB C 13 41.383 0.012 . 1 . . . . . 3 PHE CB . 50488 1
31 . 1 . 1 3 3 PHE CD1 C 13 131.921 0.000 . 1 . . . . . 3 PHE CD1 . 50488 1
32 . 1 . 1 3 3 PHE CD2 C 13 131.921 0.000 . 1 . . . . . 3 PHE CD2 . 50488 1
33 . 1 . 1 3 3 PHE CE1 C 13 131.458 0.000 . 1 . . . . . 3 PHE CE1 . 50488 1
34 . 1 . 1 3 3 PHE CE2 C 13 131.458 0.000 . 1 . . . . . 3 PHE CE2 . 50488 1
35 . 1 . 1 3 3 PHE CZ C 13 129.871 0.000 . 1 . . . . . 3 PHE CZ . 50488 1
36 . 1 . 1 4 4 THR H H 1 8.714 0.001 . 1 . . . . . 4 THR H . 50488 1
37 . 1 . 1 4 4 THR HA H 1 4.442 0.004 . 1 . . . . . 4 THR HA . 50488 1
38 . 1 . 1 4 4 THR HB H 1 4.494 0.004 . 1 . . . . . 4 THR HB . 50488 1
39 . 1 . 1 4 4 THR HG21 H 1 1.304 0.002 . 1 . . . . . 4 THR QG2 . 50488 1
40 . 1 . 1 4 4 THR HG22 H 1 1.304 0.002 . 1 . . . . . 4 THR QG2 . 50488 1
41 . 1 . 1 4 4 THR HG23 H 1 1.304 0.002 . 1 . . . . . 4 THR QG2 . 50488 1
42 . 1 . 1 4 4 THR CA C 13 61.627 0.021 . 1 . . . . . 4 THR CA . 50488 1
43 . 1 . 1 4 4 THR CB C 13 70.590 0.030 . 1 . . . . . 4 THR CB . 50488 1
44 . 1 . 1 4 4 THR CG2 C 13 21.747 0.000 . 1 . . . . . 4 THR CG2 . 50488 1
45 . 1 . 1 5 5 ORN H H 1 8.923 0.002 . 1 . . . . . 5 ORN H . 50488 1
46 . 1 . 1 5 5 ORN HA H 1 4.285 0.003 . 1 . . . . . 5 ORN HA . 50488 1
47 . 1 . 1 5 5 ORN HB2 H 1 1.902 0.002 . 2 . . . . . 5 ORN HB2 . 50488 1
48 . 1 . 1 5 5 ORN HB3 H 1 1.902 0.002 . 2 . . . . . 5 ORN HB3 . 50488 1
49 . 1 . 1 5 5 ORN HG2 H 1 1.772 0.000 . 2 . . . . . 5 ORN HG2 . 50488 1
50 . 1 . 1 5 5 ORN HG3 H 1 1.856 0.000 . 2 . . . . . 5 ORN HG3 . 50488 1
51 . 1 . 1 5 5 ORN HD2 H 1 3.035 0.002 . 2 . . . . . 5 ORN HD2 . 50488 1
52 . 1 . 1 5 5 ORN HD3 H 1 3.035 0.002 . 2 . . . . . 5 ORN HD3 . 50488 1
53 . 1 . 1 5 5 ORN HE1 H 1 7.701 0.000 . 2 . . . . . 5 ORN QE . 50488 1
54 . 1 . 1 5 5 ORN HE2 H 1 7.701 0.000 . 2 . . . . . 5 ORN QE . 50488 1
55 . 1 . 1 5 5 ORN CA C 13 58.121 0.020 . 1 . . . . . 5 ORN CA . 50488 1
56 . 1 . 1 5 5 ORN CB C 13 30.205 0.000 . 1 . . . . . 5 ORN CB . 50488 1
57 . 1 . 1 5 5 ORN CG C 13 26.320 0.000 . 1 . . . . . 5 ORN CG . 50488 1
58 . 1 . 1 5 5 ORN CD C 13 41.911 0.000 . 1 . . . . . 5 ORN CD . 50488 1
59 . 1 . 1 6 6 ALA H H 1 8.638 0.001 . 1 . . . . . 6 ALA H . 50488 1
60 . 1 . 1 6 6 ALA HA H 1 4.271 0.003 . 1 . . . . . 6 ALA HA . 50488 1
61 . 1 . 1 6 6 ALA HB1 H 1 1.395 0.002 . 1 . . . . . 6 ALA HB# . 50488 1
62 . 1 . 1 6 6 ALA HB2 H 1 1.395 0.002 . 1 . . . . . 6 ALA HB# . 50488 1
63 . 1 . 1 6 6 ALA HB3 H 1 1.395 0.002 . 1 . . . . . 6 ALA HB# . 50488 1
64 . 1 . 1 6 6 ALA CA C 13 53.934 0.016 . 1 . . . . . 6 ALA CA . 50488 1
65 . 1 . 1 6 6 ALA CB C 13 18.767 0.000 . 1 . . . . . 6 ALA CB . 50488 1
66 . 1 . 1 7 7 GLN H H 1 8.240 0.002 . 1 . . . . . 7 GLN H . 50488 1
67 . 1 . 1 7 7 GLN HA H 1 4.153 0.003 . 1 . . . . . 7 GLN HA . 50488 1
68 . 1 . 1 7 7 GLN HB2 H 1 1.920 0.005 . 2 . . . . . 7 GLN HB2 . 50488 1
69 . 1 . 1 7 7 GLN HB3 H 1 2.223 0.003 . 2 . . . . . 7 GLN HB3 . 50488 1
70 . 1 . 1 7 7 GLN HG2 H 1 2.349 0.004 . 2 . . . . . 7 GLN HG2 . 50488 1
71 . 1 . 1 7 7 GLN HG3 H 1 2.349 0.004 . 2 . . . . . 7 GLN HG3 . 50488 1
72 . 1 . 1 7 7 GLN HE21 H 1 7.003 0.002 . 2 . . . . . 7 GLN HE21 . 50488 1
73 . 1 . 1 7 7 GLN HE22 H 1 7.638 0.002 . 2 . . . . . 7 GLN HE22 . 50488 1
74 . 1 . 1 7 7 GLN CA C 13 57.270 0.001 . 1 . . . . . 7 GLN CA . 50488 1
75 . 1 . 1 7 7 GLN CB C 13 29.319 0.011 . 1 . . . . . 7 GLN CB . 50488 1
76 . 1 . 1 7 7 GLN CG C 13 34.182 0.000 . 1 . . . . . 7 GLN CG . 50488 1
77 . 1 . 1 8 8 TRP H H 1 8.578 0.002 . 1 . . . . . 8 TRP H . 50488 1
78 . 1 . 1 8 8 TRP HA H 1 4.435 0.004 . 1 . . . . . 8 TRP HA . 50488 1
79 . 1 . 1 8 8 TRP HB2 H 1 3.253 0.003 . 2 . . . . . 8 TRP HB2 . 50488 1
80 . 1 . 1 8 8 TRP HB3 H 1 3.253 0.003 . 2 . . . . . 8 TRP HB3 . 50488 1
81 . 1 . 1 8 8 TRP HD1 H 1 7.109 0.003 . 1 . . . . . 8 TRP HD1 . 50488 1
82 . 1 . 1 8 8 TRP HE1 H 1 10.190 0.003 . 1 . . . . . 8 TRP HE1 . 50488 1
83 . 1 . 1 8 8 TRP HE3 H 1 7.367 0.002 . 1 . . . . . 8 TRP HE3 . 50488 1
84 . 1 . 1 8 8 TRP HZ2 H 1 7.471 0.003 . 1 . . . . . 8 TRP HZ2 . 50488 1
85 . 1 . 1 8 8 TRP HZ3 H 1 7.093 0.003 . 1 . . . . . 8 TRP HZ3 . 50488 1
86 . 1 . 1 8 8 TRP HH2 H 1 7.224 0.000 . 1 . . . . . 8 TRP HH2 . 50488 1
87 . 1 . 1 8 8 TRP CA C 13 58.865 0.003 . 1 . . . . . 8 TRP CA . 50488 1
88 . 1 . 1 8 8 TRP CB C 13 29.751 0.000 . 1 . . . . . 8 TRP CB . 50488 1
89 . 1 . 1 8 8 TRP CD1 C 13 127.393 0.000 . 1 . . . . . 8 TRP CD1 . 50488 1
90 . 1 . 1 8 8 TRP CE3 C 13 120.855 0.000 . 1 . . . . . 8 TRP CE3 . 50488 1
91 . 1 . 1 8 8 TRP CZ2 C 13 114.793 0.000 . 1 . . . . . 8 TRP CZ2 . 50488 1
92 . 1 . 1 8 8 TRP CZ3 C 13 122.140 0.000 . 1 . . . . . 8 TRP CZ3 . 50488 1
93 . 1 . 1 8 8 TRP CH2 C 13 124.832 0.000 . 1 . . . . . 8 TRP CH2 . 50488 1
94 . 1 . 1 9 9 PHE H H 1 8.080 0.002 . 1 . . . . . 9 PHE H . 50488 1
95 . 1 . 1 9 9 PHE HA H 1 4.278 0.004 . 1 . . . . . 9 PHE HA . 50488 1
96 . 1 . 1 9 9 PHE HB2 H 1 3.018 0.005 . 2 . . . . . 9 PHE HB2 . 50488 1
97 . 1 . 1 9 9 PHE HB3 H 1 3.072 0.005 . 2 . . . . . 9 PHE HB3 . 50488 1
98 . 1 . 1 9 9 PHE HD1 H 1 7.195 0.000 . 1 . . . . . 9 PHE HD1 . 50488 1
99 . 1 . 1 9 9 PHE HD2 H 1 7.195 0.000 . 1 . . . . . 9 PHE HD2 . 50488 1
100 . 1 . 1 9 9 PHE HE1 H 1 7.267 0.001 . 1 . . . . . 9 PHE HE1 . 50488 1
101 . 1 . 1 9 9 PHE HE2 H 1 7.267 0.001 . 1 . . . . . 9 PHE HE2 . 50488 1
102 . 1 . 1 9 9 PHE HZ H 1 7.164 0.000 . 1 . . . . . 9 PHE HZ . 50488 1
103 . 1 . 1 9 9 PHE CA C 13 59.438 0.014 . 1 . . . . . 9 PHE CA . 50488 1
104 . 1 . 1 9 9 PHE CB C 13 39.596 0.006 . 1 . . . . . 9 PHE CB . 50488 1
105 . 1 . 1 9 9 PHE CD1 C 13 132.047 0.000 . 1 . . . . . 9 PHE CD1 . 50488 1
106 . 1 . 1 9 9 PHE CD2 C 13 132.047 0.000 . 1 . . . . . 9 PHE CD2 . 50488 1
107 . 1 . 1 9 9 PHE CE1 C 13 131.435 0.000 . 1 . . . . . 9 PHE CE1 . 50488 1
108 . 1 . 1 9 9 PHE CE2 C 13 131.435 0.000 . 1 . . . . . 9 PHE CE2 . 50488 1
109 . 1 . 1 9 9 PHE CZ C 13 129.872 0.000 . 1 . . . . . 9 PHE CZ . 50488 1
110 . 1 . 1 10 10 ALA H H 1 7.913 0.003 . 1 . . . . . 10 ALA H . 50488 1
111 . 1 . 1 10 10 ALA HA H 1 4.118 0.002 . 1 . . . . . 10 ALA HA . 50488 1
112 . 1 . 1 10 10 ALA HB1 H 1 1.424 0.003 . 1 . . . . . 10 ALA HB# . 50488 1
113 . 1 . 1 10 10 ALA HB2 H 1 1.424 0.003 . 1 . . . . . 10 ALA HB# . 50488 1
114 . 1 . 1 10 10 ALA HB3 H 1 1.424 0.003 . 1 . . . . . 10 ALA HB# . 50488 1
115 . 1 . 1 10 10 ALA CA C 13 53.644 0.010 . 1 . . . . . 10 ALA CA . 50488 1
116 . 1 . 1 10 10 ALA CB C 13 18.683 0.000 . 1 . . . . . 10 ALA CB . 50488 1
117 . 1 . 1 11 11 ILE H H 1 7.910 0.002 . 1 . . . . . 11 ILE H . 50488 1
118 . 1 . 1 11 11 ILE HA H 1 3.859 0.002 . 1 . . . . . 11 ILE HA . 50488 1
119 . 1 . 1 11 11 ILE HB H 1 1.715 0.002 . 1 . . . . . 11 ILE HB . 50488 1
120 . 1 . 1 11 11 ILE HG12 H 1 1.039 0.002 . 2 . . . . . 11 ILE HG12 . 50488 1
121 . 1 . 1 11 11 ILE HG13 H 1 1.412 0.004 . 2 . . . . . 11 ILE HG13 . 50488 1
122 . 1 . 1 11 11 ILE HG21 H 1 0.742 0.002 . 1 . . . . . 11 ILE QG2 . 50488 1
123 . 1 . 1 11 11 ILE HG22 H 1 0.742 0.002 . 1 . . . . . 11 ILE QG2 . 50488 1
124 . 1 . 1 11 11 ILE HG23 H 1 0.742 0.002 . 1 . . . . . 11 ILE QG2 . 50488 1
125 . 1 . 1 11 11 ILE HD11 H 1 0.546 0.002 . 1 . . . . . 11 ILE QD1 . 50488 1
126 . 1 . 1 11 11 ILE HD12 H 1 0.546 0.002 . 1 . . . . . 11 ILE QD1 . 50488 1
127 . 1 . 1 11 11 ILE HD13 H 1 0.546 0.002 . 1 . . . . . 11 ILE QD1 . 50488 1
128 . 1 . 1 11 11 ILE CA C 13 62.592 0.014 . 1 . . . . . 11 ILE CA . 50488 1
129 . 1 . 1 11 11 ILE CB C 13 38.616 0.000 . 1 . . . . . 11 ILE CB . 50488 1
130 . 1 . 1 11 11 ILE CG1 C 13 28.297 0.015 . 1 . . . . . 11 ILE CG1 . 50488 1
131 . 1 . 1 11 11 ILE CG2 C 13 17.258 0.000 . 1 . . . . . 11 ILE CG2 . 50488 1
132 . 1 . 1 11 11 ILE CD1 C 13 13.088 0.000 . 1 . . . . . 11 ILE CD1 . 50488 1
133 . 1 . 1 12 12 GLN H H 1 8.088 0.003 . 1 . . . . . 12 GLN H . 50488 1
134 . 1 . 1 12 12 GLN HA H 1 4.060 0.003 . 1 . . . . . 12 GLN HA . 50488 1
135 . 1 . 1 12 12 GLN HB2 H 1 1.767 0.002 . 2 . . . . . 12 GLN HB2 . 50488 1
136 . 1 . 1 12 12 GLN HB3 H 1 1.833 0.002 . 2 . . . . . 12 GLN HB3 . 50488 1
137 . 1 . 1 12 12 GLN HG2 H 1 2.040 0.003 . 2 . . . . . 12 GLN HG2 . 50488 1
138 . 1 . 1 12 12 GLN HG3 H 1 2.079 0.006 . 2 . . . . . 12 GLN HG3 . 50488 1
139 . 1 . 1 12 12 GLN HE21 H 1 6.789 0.003 . 2 . . . . . 12 GLN HE21 . 50488 1
140 . 1 . 1 12 12 GLN HE22 H 1 7.116 0.004 . 2 . . . . . 12 GLN HE22 . 50488 1
141 . 1 . 1 12 12 GLN CA C 13 56.045 0.002 . 1 . . . . . 12 GLN CA . 50488 1
142 . 1 . 1 12 12 GLN CB C 13 29.291 0.004 . 1 . . . . . 12 GLN CB . 50488 1
143 . 1 . 1 12 12 GLN CG C 13 33.692 0.005 . 1 . . . . . 12 GLN CG . 50488 1
144 . 1 . 1 13 13 HIS H H 1 8.234 0.003 . 1 . . . . . 13 HIS H . 50488 1
145 . 1 . 1 13 13 HIS HA H 1 4.576 0.004 . 1 . . . . . 13 HIS HA . 50488 1
146 . 1 . 1 13 13 HIS HB2 H 1 2.932 0.002 . 2 . . . . . 13 HIS HB2 . 50488 1
147 . 1 . 1 13 13 HIS HB3 H 1 3.198 0.003 . 2 . . . . . 13 HIS HB3 . 50488 1
148 . 1 . 1 13 13 HIS HD2 H 1 7.113 0.003 . 1 . . . . . 13 HIS HD2 . 50488 1
149 . 1 . 1 13 13 HIS HE1 H 1 8.391 0.000 . 1 . . . . . 13 HIS HE1 . 50488 1
150 . 1 . 1 13 13 HIS CA C 13 55.566 0.000 . 1 . . . . . 13 HIS CA . 50488 1
151 . 1 . 1 13 13 HIS CB C 13 28.594 0.012 . 1 . . . . . 13 HIS CB . 50488 1
152 . 1 . 1 13 13 HIS CD2 C 13 120.039 0.000 . 1 . . . . . 13 HIS CD2 . 50488 1
153 . 1 . 1 14 14 ILE H H 1 8.123 0.002 . 1 . . . . . 14 ILE H . 50488 1
154 . 1 . 1 14 14 ILE HA H 1 4.155 0.004 . 1 . . . . . 14 ILE HA . 50488 1
155 . 1 . 1 14 14 ILE HB H 1 1.789 0.002 . 1 . . . . . 14 ILE HB . 50488 1
156 . 1 . 1 14 14 ILE HG12 H 1 1.138 0.004 . 2 . . . . . 14 ILE HG12 . 50488 1
157 . 1 . 1 14 14 ILE HG13 H 1 1.467 0.006 . 2 . . . . . 14 ILE HG13 . 50488 1
158 . 1 . 1 14 14 ILE HG21 H 1 0.860 0.004 . 1 . . . . . 14 ILE QG2 . 50488 1
159 . 1 . 1 14 14 ILE HG22 H 1 0.860 0.004 . 1 . . . . . 14 ILE QG2 . 50488 1
160 . 1 . 1 14 14 ILE HG23 H 1 0.860 0.004 . 1 . . . . . 14 ILE QG2 . 50488 1
161 . 1 . 1 14 14 ILE HD11 H 1 0.833 0.003 . 1 . . . . . 14 ILE QD1 . 50488 1
162 . 1 . 1 14 14 ILE HD12 H 1 0.833 0.003 . 1 . . . . . 14 ILE QD1 . 50488 1
163 . 1 . 1 14 14 ILE HD13 H 1 0.833 0.003 . 1 . . . . . 14 ILE QD1 . 50488 1
164 . 1 . 1 14 14 ILE CA C 13 61.110 0.017 . 1 . . . . . 14 ILE CA . 50488 1
165 . 1 . 1 14 14 ILE CB C 13 38.825 0.000 . 1 . . . . . 14 ILE CB . 50488 1
166 . 1 . 1 14 14 ILE CG1 C 13 27.389 0.005 . 1 . . . . . 14 ILE CG1 . 50488 1
167 . 1 . 1 14 14 ILE CG2 C 13 17.390 0.000 . 1 . . . . . 14 ILE CG2 . 50488 1
168 . 1 . 1 14 14 ILE CD1 C 13 12.825 0.000 . 1 . . . . . 14 ILE CD1 . 50488 1
169 . 1 . 1 15 15 SER H H 1 8.694 0.004 . 1 . . . . . 15 SER H . 50488 1
170 . 1 . 1 15 15 SER HA H 1 4.751 0.005 . 1 . . . . . 15 SER HA . 50488 1
171 . 1 . 1 15 15 SER HB2 H 1 3.825 0.005 . 2 . . . . . 15 SER HB2 . 50488 1
172 . 1 . 1 15 15 SER HB3 H 1 3.890 0.005 . 2 . . . . . 15 SER HB3 . 50488 1
173 . 1 . 1 15 15 SER CA C 13 56.518 0.000 . 1 . . . . . 15 SER CA . 50488 1
174 . 1 . 1 15 15 SER CB C 13 63.230 0.037 . 1 . . . . . 15 SER CB . 50488 1
175 . 1 . 1 16 16 PRO HA H 1 4.424 0.003 . 1 . . . . . 16 PRO HA . 50488 1
176 . 1 . 1 16 16 PRO HB2 H 1 1.923 0.003 . 2 . . . . . 16 PRO HB2 . 50488 1
177 . 1 . 1 16 16 PRO HB3 H 1 2.310 0.003 . 2 . . . . . 16 PRO HB3 . 50488 1
178 . 1 . 1 16 16 PRO HG2 H 1 2.030 0.002 . 2 . . . . . 16 PRO HG2 . 50488 1
179 . 1 . 1 16 16 PRO HG3 H 1 2.030 0.002 . 2 . . . . . 16 PRO HG3 . 50488 1
180 . 1 . 1 16 16 PRO HD2 H 1 3.749 0.002 . 2 . . . . . 16 PRO HD2 . 50488 1
181 . 1 . 1 16 16 PRO HD3 H 1 3.870 0.002 . 2 . . . . . 16 PRO HD3 . 50488 1
182 . 1 . 1 16 16 PRO CA C 13 63.351 0.026 . 1 . . . . . 16 PRO CA . 50488 1
183 . 1 . 1 16 16 PRO CB C 13 32.284 0.003 . 1 . . . . . 16 PRO CB . 50488 1
184 . 1 . 1 16 16 PRO CG C 13 27.468 0.000 . 1 . . . . . 16 PRO CG . 50488 1
185 . 1 . 1 16 16 PRO CD C 13 50.961 0.001 . 1 . . . . . 16 PRO CD . 50488 1
186 . 1 . 1 17 17 ORN H H 1 8.589 0.003 . 1 . . . . . 17 ORN H . 50488 1
187 . 1 . 1 17 17 ORN HA H 1 4.375 0.002 . 1 . . . . . 17 ORN HA . 50488 1
188 . 1 . 1 17 17 ORN HB2 H 1 1.786 0.003 . 2 . . . . . 17 ORN HB2 . 50488 1
189 . 1 . 1 17 17 ORN HB3 H 1 1.876 0.002 . 2 . . . . . 17 ORN HB3 . 50488 1
190 . 1 . 1 17 17 ORN HG2 H 1 1.774 0.000 . 2 . . . . . 17 ORN HG2 . 50488 1
191 . 1 . 1 17 17 ORN HG3 H 1 1.774 0.000 . 2 . . . . . 17 ORN HG3 . 50488 1
192 . 1 . 1 17 17 ORN HD2 H 1 3.017 0.002 . 2 . . . . . 17 ORN HD2 . 50488 1
193 . 1 . 1 17 17 ORN HD3 H 1 3.017 0.002 . 2 . . . . . 17 ORN HD3 . 50488 1
194 . 1 . 1 17 17 ORN HE1 H 1 7.675 0.000 . 2 . . . . . 17 ORN QE . 50488 1
195 . 1 . 1 17 17 ORN HE2 H 1 7.675 0.000 . 2 . . . . . 17 ORN QE . 50488 1
196 . 1 . 1 17 17 ORN CA C 13 56.084 0.029 . 1 . . . . . 17 ORN CA . 50488 1
197 . 1 . 1 17 17 ORN CB C 13 30.580 0.008 . 1 . . . . . 17 ORN CB . 50488 1
198 . 1 . 1 17 17 ORN CG C 13 26.256 0.000 . 1 . . . . . 17 ORN CG . 50488 1
199 . 1 . 1 17 17 ORN CD C 13 41.801 0.000 . 1 . . . . . 17 ORN CD . 50488 1
200 . 1 . 1 18 18 THR H H 1 8.301 0.002 . 1 . . . . . 18 THR H . 50488 1
201 . 1 . 1 18 18 THR HA H 1 4.300 0.003 . 1 . . . . . 18 THR HA . 50488 1
202 . 1 . 1 18 18 THR HB H 1 4.152 0.003 . 1 . . . . . 18 THR HB . 50488 1
203 . 1 . 1 18 18 THR HG21 H 1 1.191 0.002 . 1 . . . . . 18 THR QG2 . 50488 1
204 . 1 . 1 18 18 THR HG22 H 1 1.191 0.002 . 1 . . . . . 18 THR QG2 . 50488 1
205 . 1 . 1 18 18 THR HG23 H 1 1.191 0.002 . 1 . . . . . 18 THR QG2 . 50488 1
206 . 1 . 1 18 18 THR CA C 13 62.158 0.013 . 1 . . . . . 18 THR CA . 50488 1
207 . 1 . 1 18 18 THR CB C 13 69.991 0.039 . 1 . . . . . 18 THR CB . 50488 1
208 . 1 . 1 18 18 THR CG2 C 13 21.766 0.000 . 1 . . . . . 18 THR CG2 . 50488 1
209 . 1 . 1 19 19 ILE H H 1 8.390 0.002 . 1 . . . . . 19 ILE H . 50488 1
210 . 1 . 1 19 19 ILE HA H 1 4.124 0.003 . 1 . . . . . 19 ILE HA . 50488 1
211 . 1 . 1 19 19 ILE HB H 1 1.839 0.003 . 1 . . . . . 19 ILE HB . 50488 1
212 . 1 . 1 19 19 ILE HG12 H 1 1.179 0.007 . 2 . . . . . 19 ILE HG12 . 50488 1
213 . 1 . 1 19 19 ILE HG13 H 1 1.489 0.002 . 2 . . . . . 19 ILE HG13 . 50488 1
214 . 1 . 1 19 19 ILE HG21 H 1 0.910 0.003 . 1 . . . . . 19 ILE QG2 . 50488 1
215 . 1 . 1 19 19 ILE HG22 H 1 0.910 0.003 . 1 . . . . . 19 ILE QG2 . 50488 1
216 . 1 . 1 19 19 ILE HG23 H 1 0.910 0.003 . 1 . . . . . 19 ILE QG2 . 50488 1
217 . 1 . 1 19 19 ILE HD11 H 1 0.858 0.002 . 1 . . . . . 19 ILE QD1 . 50488 1
218 . 1 . 1 19 19 ILE HD12 H 1 0.858 0.002 . 1 . . . . . 19 ILE QD1 . 50488 1
219 . 1 . 1 19 19 ILE HD13 H 1 0.858 0.002 . 1 . . . . . 19 ILE QD1 . 50488 1
220 . 1 . 1 19 19 ILE CA C 13 61.198 0.023 . 1 . . . . . 19 ILE CA . 50488 1
221 . 1 . 1 19 19 ILE CB C 13 38.881 0.000 . 1 . . . . . 19 ILE CB . 50488 1
222 . 1 . 1 19 19 ILE CG1 C 13 27.382 0.008 . 1 . . . . . 19 ILE CG1 . 50488 1
223 . 1 . 1 19 19 ILE CG2 C 13 17.426 0.000 . 1 . . . . . 19 ILE CG2 . 50488 1
224 . 1 . 1 19 19 ILE CD1 C 13 12.941 0.000 . 1 . . . . . 19 ILE CD1 . 50488 1
225 . 1 . 1 20 20 ALA H H 1 8.499 0.002 . 1 . . . . . 20 ALA H . 50488 1
226 . 1 . 1 20 20 ALA HA H 1 4.295 0.003 . 1 . . . . . 20 ALA HA . 50488 1
227 . 1 . 1 20 20 ALA HB1 H 1 1.371 0.002 . 1 . . . . . 20 ALA HB# . 50488 1
228 . 1 . 1 20 20 ALA HB2 H 1 1.371 0.002 . 1 . . . . . 20 ALA HB# . 50488 1
229 . 1 . 1 20 20 ALA HB3 H 1 1.371 0.002 . 1 . . . . . 20 ALA HB# . 50488 1
230 . 1 . 1 20 20 ALA CA C 13 52.508 0.022 . 1 . . . . . 20 ALA CA . 50488 1
231 . 1 . 1 20 20 ALA CB C 13 19.195 0.000 . 1 . . . . . 20 ALA CB . 50488 1
232 . 1 . 1 21 21 MET H H 1 8.482 0.002 . 1 . . . . . 21 MET H . 50488 1
233 . 1 . 1 21 21 MET HA H 1 4.417 0.002 . 1 . . . . . 21 MET HA . 50488 1
234 . 1 . 1 21 21 MET HB2 H 1 2.010 0.003 . 2 . . . . . 21 MET HB2 . 50488 1
235 . 1 . 1 21 21 MET HB3 H 1 2.044 0.001 . 2 . . . . . 21 MET HB3 . 50488 1
236 . 1 . 1 21 21 MET HG2 H 1 2.559 0.001 . 2 . . . . . 21 MET HG2 . 50488 1
237 . 1 . 1 21 21 MET HG3 H 1 2.616 0.004 . 2 . . . . . 21 MET HG3 . 50488 1
238 . 1 . 1 21 21 MET HE1 H 1 2.094 0.000 . 1 . . . . . 21 MET HE# . 50488 1
239 . 1 . 1 21 21 MET HE2 H 1 2.094 0.000 . 1 . . . . . 21 MET HE# . 50488 1
240 . 1 . 1 21 21 MET HE3 H 1 2.094 0.000 . 1 . . . . . 21 MET HE# . 50488 1
241 . 1 . 1 21 21 MET CA C 13 55.532 0.034 . 1 . . . . . 21 MET CA . 50488 1
242 . 1 . 1 21 21 MET CB C 13 33.099 0.002 . 1 . . . . . 21 MET CB . 50488 1
243 . 1 . 1 21 21 MET CG C 13 31.964 0.004 . 1 . . . . . 21 MET CG . 50488 1
244 . 1 . 1 21 21 MET CE C 13 16.996 0.000 . 1 . . . . . 21 MET CE . 50488 1
245 . 1 . 1 22 22 ORN H H 1 8.509 0.005 . 1 . . . . . 22 ORN H . 50488 1
246 . 1 . 1 22 22 ORN HA H 1 4.309 0.004 . 1 . . . . . 22 ORN HA . 50488 1
247 . 1 . 1 22 22 ORN HB2 H 1 1.765 0.006 . 2 . . . . . 22 ORN HB2 . 50488 1
248 . 1 . 1 22 22 ORN HB3 H 1 1.852 0.001 . 2 . . . . . 22 ORN HB3 . 50488 1
249 . 1 . 1 22 22 ORN HG2 H 1 1.750 0.000 . 2 . . . . . 22 ORN HG2 . 50488 1
250 . 1 . 1 22 22 ORN HG3 H 1 1.750 0.000 . 2 . . . . . 22 ORN HG3 . 50488 1
251 . 1 . 1 22 22 ORN HD2 H 1 3.019 0.000 . 2 . . . . . 22 ORN HD2 . 50488 1
252 . 1 . 1 22 22 ORN HD3 H 1 3.019 0.000 . 2 . . . . . 22 ORN HD3 . 50488 1
253 . 1 . 1 22 22 ORN CA C 13 55.911 0.015 . 1 . . . . . 22 ORN CA . 50488 1
254 . 1 . 1 22 22 ORN CB C 13 30.687 0.005 . 1 . . . . . 22 ORN CB . 50488 1
255 . 1 . 1 22 22 ORN CG C 13 26.190 0.000 . 1 . . . . . 22 ORN CG . 50488 1
256 . 1 . 1 23 23 ALA H H 1 8.500 0.003 . 1 . . . . . 23 ALA H . 50488 1
257 . 1 . 1 23 23 ALA HA H 1 4.294 0.004 . 1 . . . . . 23 ALA HA . 50488 1
258 . 1 . 1 23 23 ALA HB1 H 1 1.372 0.004 . 1 . . . . . 23 ALA HB# . 50488 1
259 . 1 . 1 23 23 ALA HB2 H 1 1.372 0.004 . 1 . . . . . 23 ALA HB# . 50488 1
260 . 1 . 1 23 23 ALA HB3 H 1 1.372 0.004 . 1 . . . . . 23 ALA HB# . 50488 1
261 . 1 . 1 23 23 ALA CA C 13 52.508 0.022 . 1 . . . . . 23 ALA CA . 50488 1
262 . 1 . 1 23 23 ALA CB C 13 19.183 0.000 . 1 . . . . . 23 ALA CB . 50488 1
263 . 1 . 1 24 24 ILE H H 1 8.339 0.001 . 1 . . . . . 24 ILE H . 50488 1
264 . 1 . 1 24 24 ILE HA H 1 4.104 0.005 . 1 . . . . . 24 ILE HA . 50488 1
265 . 1 . 1 24 24 ILE HB H 1 1.832 0.001 . 1 . . . . . 24 ILE HB . 50488 1
266 . 1 . 1 24 24 ILE HG12 H 1 1.177 0.006 . 2 . . . . . 24 ILE HG12 . 50488 1
267 . 1 . 1 24 24 ILE HG13 H 1 1.478 0.002 . 2 . . . . . 24 ILE HG13 . 50488 1
268 . 1 . 1 24 24 ILE HG21 H 1 0.885 0.002 . 1 . . . . . 24 ILE QG2 . 50488 1
269 . 1 . 1 24 24 ILE HG22 H 1 0.885 0.002 . 1 . . . . . 24 ILE QG2 . 50488 1
270 . 1 . 1 24 24 ILE HG23 H 1 0.885 0.002 . 1 . . . . . 24 ILE QG2 . 50488 1
271 . 1 . 1 24 24 ILE HD11 H 1 0.861 0.003 . 1 . . . . . 24 ILE QD1 . 50488 1
272 . 1 . 1 24 24 ILE HD12 H 1 0.861 0.003 . 1 . . . . . 24 ILE QD1 . 50488 1
273 . 1 . 1 24 24 ILE HD13 H 1 0.861 0.003 . 1 . . . . . 24 ILE QD1 . 50488 1
274 . 1 . 1 24 24 ILE CA C 13 61.214 0.007 . 1 . . . . . 24 ILE CA . 50488 1
275 . 1 . 1 24 24 ILE CB C 13 38.881 0.000 . 1 . . . . . 24 ILE CB . 50488 1
276 . 1 . 1 24 24 ILE CG1 C 13 27.391 0.001 . 1 . . . . . 24 ILE CG1 . 50488 1
277 . 1 . 1 24 24 ILE CG2 C 13 17.507 0.000 . 1 . . . . . 24 ILE CG2 . 50488 1
278 . 1 . 1 24 24 ILE CD1 C 13 12.941 0.000 . 1 . . . . . 24 ILE CD1 . 50488 1
279 . 1 . 1 25 25 ASN H H 1 8.597 0.002 . 1 . . . . . 25 ASN H . 50488 1
280 . 1 . 1 25 25 ASN HA H 1 4.667 0.003 . 1 . . . . . 25 ASN HA . 50488 1
281 . 1 . 1 25 25 ASN HB2 H 1 2.679 0.002 . 2 . . . . . 25 ASN HB2 . 50488 1
282 . 1 . 1 25 25 ASN HB3 H 1 2.720 0.002 . 2 . . . . . 25 ASN HB3 . 50488 1
283 . 1 . 1 25 25 ASN HD21 H 1 6.982 0.002 . 2 . . . . . 25 ASN HD21 . 50488 1
284 . 1 . 1 25 25 ASN HD22 H 1 7.660 0.002 . 2 . . . . . 25 ASN HD22 . 50488 1
285 . 1 . 1 25 25 ASN CA C 13 53.046 0.000 . 1 . . . . . 25 ASN CA . 50488 1
286 . 1 . 1 25 25 ASN CB C 13 38.986 0.017 . 1 . . . . . 25 ASN CB . 50488 1
287 . 1 . 1 26 26 ASN H H 1 8.502 0.002 . 1 . . . . . 26 ASN H . 50488 1
288 . 1 . 1 26 26 ASN HA H 1 4.679 0.005 . 1 . . . . . 26 ASN HA . 50488 1
289 . 1 . 1 26 26 ASN HB2 H 1 2.685 0.001 . 2 . . . . . 26 ASN HB2 . 50488 1
290 . 1 . 1 26 26 ASN HB3 H 1 2.752 0.004 . 2 . . . . . 26 ASN HB3 . 50488 1
291 . 1 . 1 26 26 ASN HD21 H 1 6.939 0.002 . 2 . . . . . 26 ASN HD21 . 50488 1
292 . 1 . 1 26 26 ASN HD22 H 1 7.640 0.002 . 2 . . . . . 26 ASN HD22 . 50488 1
293 . 1 . 1 26 26 ASN CA C 13 52.992 0.000 . 1 . . . . . 26 ASN CA . 50488 1
294 . 1 . 1 26 26 ASN CB C 13 38.785 0.013 . 1 . . . . . 26 ASN CB . 50488 1
295 . 1 . 1 27 27 TYR H H 1 8.239 0.002 . 1 . . . . . 27 TYR H . 50488 1
296 . 1 . 1 27 27 TYR HA H 1 4.436 0.003 . 1 . . . . . 27 TYR HA . 50488 1
297 . 1 . 1 27 27 TYR HB2 H 1 2.917 0.002 . 2 . . . . . 27 TYR HB2 . 50488 1
298 . 1 . 1 27 27 TYR HB3 H 1 2.917 0.002 . 2 . . . . . 27 TYR HB3 . 50488 1
299 . 1 . 1 27 27 TYR HD1 H 1 7.024 0.003 . 1 . . . . . 27 TYR HD1 . 50488 1
300 . 1 . 1 27 27 TYR HD2 H 1 7.024 0.003 . 1 . . . . . 27 TYR HD2 . 50488 1
301 . 1 . 1 27 27 TYR HE1 H 1 6.783 0.001 . 1 . . . . . 27 TYR HE1 . 50488 1
302 . 1 . 1 27 27 TYR HE2 H 1 6.783 0.001 . 1 . . . . . 27 TYR HE2 . 50488 1
303 . 1 . 1 27 27 TYR CA C 13 58.449 0.005 . 1 . . . . . 27 TYR CA . 50488 1
304 . 1 . 1 27 27 TYR CB C 13 38.537 0.000 . 1 . . . . . 27 TYR CB . 50488 1
305 . 1 . 1 27 27 TYR CD1 C 13 133.242 0.000 . 1 . . . . . 27 TYR CD1 . 50488 1
306 . 1 . 1 27 27 TYR CD2 C 13 133.242 0.000 . 1 . . . . . 27 TYR CD2 . 50488 1
307 . 1 . 1 27 27 TYR CE1 C 13 118.265 0.000 . 1 . . . . . 27 TYR CE1 . 50488 1
308 . 1 . 1 27 27 TYR CE2 C 13 118.265 0.000 . 1 . . . . . 27 TYR CE2 . 50488 1
309 . 1 . 1 28 28 ORN H H 1 8.181 0.002 . 1 . . . . . 28 ORN H . 50488 1
310 . 1 . 1 28 28 ORN HA H 1 4.250 0.003 . 1 . . . . . 28 ORN HA . 50488 1
311 . 1 . 1 28 28 ORN HB2 H 1 1.632 0.005 . 2 . . . . . 28 ORN HB2 . 50488 1
312 . 1 . 1 28 28 ORN HB3 H 1 1.731 0.006 . 2 . . . . . 28 ORN HB3 . 50488 1
313 . 1 . 1 28 28 ORN HG2 H 1 1.576 0.006 . 2 . . . . . 28 ORN HG2 . 50488 1
314 . 1 . 1 28 28 ORN HG3 H 1 1.576 0.006 . 2 . . . . . 28 ORN HG3 . 50488 1
315 . 1 . 1 28 28 ORN HD2 H 1 2.955 0.003 . 2 . . . . . 28 ORN HD2 . 50488 1
316 . 1 . 1 28 28 ORN HD3 H 1 2.955 0.003 . 2 . . . . . 28 ORN HD3 . 50488 1
317 . 1 . 1 28 28 ORN HE1 H 1 7.621 0.000 . 2 . . . . . 28 ORN QE . 50488 1
318 . 1 . 1 28 28 ORN HE2 H 1 7.621 0.000 . 2 . . . . . 28 ORN QE . 50488 1
319 . 1 . 1 28 28 ORN CA C 13 55.574 0.019 . 1 . . . . . 28 ORN CA . 50488 1
320 . 1 . 1 28 28 ORN CB C 13 30.688 0.000 . 1 . . . . . 28 ORN CB . 50488 1
321 . 1 . 1 28 28 ORN CG C 13 26.031 0.000 . 1 . . . . . 28 ORN CG . 50488 1
322 . 1 . 1 28 28 ORN CD C 13 41.801 0.000 . 1 . . . . . 28 ORN CD . 50488 1
323 . 1 . 1 29 29 TRP H H 1 8.254 0.003 . 1 . . . . . 29 TRP H . 50488 1
324 . 1 . 1 29 29 TRP HA H 1 4.507 0.004 . 1 . . . . . 29 TRP HA . 50488 1
325 . 1 . 1 29 29 TRP HB2 H 1 3.265 0.002 . 2 . . . . . 29 TRP HB2 . 50488 1
326 . 1 . 1 29 29 TRP HB3 H 1 3.265 0.002 . 2 . . . . . 29 TRP HB3 . 50488 1
327 . 1 . 1 29 29 TRP HD1 H 1 7.281 0.002 . 1 . . . . . 29 TRP HD1 . 50488 1
328 . 1 . 1 29 29 TRP HE1 H 1 10.233 0.002 . 1 . . . . . 29 TRP HE1 . 50488 1
329 . 1 . 1 29 29 TRP HE3 H 1 7.641 0.001 . 1 . . . . . 29 TRP HE3 . 50488 1
330 . 1 . 1 29 29 TRP HZ2 H 1 7.466 0.002 . 1 . . . . . 29 TRP HZ2 . 50488 1
331 . 1 . 1 29 29 TRP HZ3 H 1 7.160 0.000 . 1 . . . . . 29 TRP HZ3 . 50488 1
332 . 1 . 1 29 29 TRP HH2 H 1 7.225 0.000 . 1 . . . . . 29 TRP HH2 . 50488 1
333 . 1 . 1 29 29 TRP CA C 13 57.931 0.010 . 1 . . . . . 29 TRP CA . 50488 1
334 . 1 . 1 29 29 TRP CB C 13 29.521 0.000 . 1 . . . . . 29 TRP CB . 50488 1
335 . 1 . 1 29 29 TRP CD1 C 13 127.469 0.000 . 1 . . . . . 29 TRP CD1 . 50488 1
336 . 1 . 1 29 29 TRP CE3 C 13 121.098 0.000 . 1 . . . . . 29 TRP CE3 . 50488 1
337 . 1 . 1 29 29 TRP CZ2 C 13 114.793 0.000 . 1 . . . . . 29 TRP CZ2 . 50488 1
338 . 1 . 1 29 29 TRP CZ3 C 13 122.284 0.000 . 1 . . . . . 29 TRP CZ3 . 50488 1
339 . 1 . 1 29 29 TRP CH2 C 13 124.832 0.000 . 1 . . . . . 29 TRP CH2 . 50488 1
340 . 1 . 1 30 30 ORN H H 1 8.156 0.002 . 1 . . . . . 30 ORN H . 50488 1
341 . 1 . 1 30 30 ORN HA H 1 4.121 0.003 . 1 . . . . . 30 ORN HA . 50488 1
342 . 1 . 1 30 30 ORN HB2 H 1 1.545 0.004 . 2 . . . . . 30 ORN HB2 . 50488 1
343 . 1 . 1 30 30 ORN HB3 H 1 1.734 0.002 . 2 . . . . . 30 ORN HB3 . 50488 1
344 . 1 . 1 30 30 ORN HG2 H 1 1.540 0.005 . 2 . . . . . 30 ORN HG2 . 50488 1
345 . 1 . 1 30 30 ORN HG3 H 1 1.540 0.005 . 2 . . . . . 30 ORN HG3 . 50488 1
346 . 1 . 1 30 30 ORN HD2 H 1 2.908 0.004 . 2 . . . . . 30 ORN HD2 . 50488 1
347 . 1 . 1 30 30 ORN HD3 H 1 2.908 0.004 . 2 . . . . . 30 ORN HD3 . 50488 1
348 . 1 . 1 30 30 ORN HE1 H 1 7.591 0.002 . 2 . . . . . 30 ORN QE . 50488 1
349 . 1 . 1 30 30 ORN HE2 H 1 7.591 0.002 . 2 . . . . . 30 ORN QE . 50488 1
350 . 1 . 1 30 30 ORN CA C 13 55.498 0.040 . 1 . . . . . 30 ORN CA . 50488 1
351 . 1 . 1 30 30 ORN CB C 13 30.711 0.023 . 1 . . . . . 30 ORN CB . 50488 1
352 . 1 . 1 30 30 ORN CG C 13 25.927 0.000 . 1 . . . . . 30 ORN CG . 50488 1
353 . 1 . 1 30 30 ORN CD C 13 41.789 0.000 . 1 . . . . . 30 ORN CD . 50488 1
354 . 1 . 1 31 31 NH2 HN1 H 1 6.757 0.002 . 2 . . . . . 31 NH2 HN1 . 50488 1
355 . 1 . 1 31 31 NH2 HN2 H 1 6.935 0.002 . 2 . . . . . 31 NH2 HN2 . 50488 1
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