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 50489
_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' . . . 50489 1
3 '2D 1H-1H TOCSY' . . . 50489 1
4 '2D 1H-1H NOESY' . . . 50489 1
5 '2D 1H-13C HSQC aliphatic' . . . 50489 1
6 '2D 1H-13C HSQC aromatic' . . . 50489 1
8 '2D 1H-1H TOCSY' . . . 50489 1
10 '2D 1H-13C HSQC aliphatic' . . . 50489 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 . . 50489 1
2 $software_2 . . 50489 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 4.354 0.001 . 1 . . . . . 1 ORN HA . 50489 1
2 . 1 . 1 1 1 ORN HB2 H 1 1.908 0.000 . 2 . . . . . 1 ORN HB2 . 50489 1
3 . 1 . 1 1 1 ORN HB3 H 1 1.908 0.000 . 2 . . . . . 1 ORN HB3 . 50489 1
4 . 1 . 1 1 1 ORN HG2 H 1 1.743 0.000 . 2 . . . . . 1 ORN HG2 . 50489 1
5 . 1 . 1 1 1 ORN HG3 H 1 1.743 0.000 . 2 . . . . . 1 ORN HG3 . 50489 1
6 . 1 . 1 1 1 ORN HD2 H 1 3.008 0.004 . 2 . . . . . 1 ORN HD2 . 50489 1
7 . 1 . 1 1 1 ORN HD3 H 1 3.008 0.004 . 2 . . . . . 1 ORN HD3 . 50489 1
8 . 1 . 1 1 1 ORN CA C 13 54.244 0.053 . 1 . . . . . 1 ORN CA . 50489 1
9 . 1 . 1 1 1 ORN CB C 13 29.396 0.000 . 1 . . . . . 1 ORN CB . 50489 1
10 . 1 . 1 1 1 ORN CG C 13 25.140 0.000 . 1 . . . . . 1 ORN CG . 50489 1
11 . 1 . 1 1 1 ORN CD C 13 41.784 0.000 . 1 . . . . . 1 ORN CD . 50489 1
12 . 1 . 1 2 2 DPR HA H 1 4.380 0.001 . 1 . . . . . 2 DPRO HA . 50489 1
13 . 1 . 1 2 2 DPR HB2 H 1 1.315 0.008 . 2 . . . . . 2 DPRO HB2 . 50489 1
14 . 1 . 1 2 2 DPR HB3 H 1 2.044 0.002 . 2 . . . . . 2 DPRO HB3 . 50489 1
15 . 1 . 1 2 2 DPR HG2 H 1 1.667 0.002 . 2 . . . . . 2 DPRO HG2 . 50489 1
16 . 1 . 1 2 2 DPR HG3 H 1 1.852 0.004 . 2 . . . . . 2 DPRO HG3 . 50489 1
17 . 1 . 1 2 2 DPR HD2 H 1 3.542 0.003 . 2 . . . . . 2 DPRO HD2 . 50489 1
18 . 1 . 1 2 2 DPR HD3 H 1 3.604 0.003 . 2 . . . . . 2 DPRO HD3 . 50489 1
19 . 1 . 1 2 2 DPR CA C 13 63.318 0.027 . 1 . . . . . 2 DPRO CA . 50489 1
20 . 1 . 1 2 2 DPR CB C 13 32.486 0.002 . 1 . . . . . 2 DPRO CB . 50489 1
21 . 1 . 1 2 2 DPR CG C 13 26.880 0.006 . 1 . . . . . 2 DPRO CG . 50489 1
22 . 1 . 1 2 2 DPR CD C 13 50.497 0.000 . 1 . . . . . 2 DPRO CD . 50489 1
23 . 1 . 1 3 3 PHE H H 1 8.680 0.003 . 1 . . . . . 3 PHE H . 50489 1
24 . 1 . 1 3 3 PHE HA H 1 5.027 0.002 . 1 . . . . . 3 PHE HA . 50489 1
25 . 1 . 1 3 3 PHE HB2 H 1 2.678 0.002 . 2 . . . . . 3 PHE HB2 . 50489 1
26 . 1 . 1 3 3 PHE HB3 H 1 3.260 0.004 . 2 . . . . . 3 PHE HB3 . 50489 1
27 . 1 . 1 3 3 PHE HD1 H 1 7.114 0.001 . 1 . . . . . 3 PHE HD1 . 50489 1
28 . 1 . 1 3 3 PHE HD2 H 1 7.114 0.001 . 1 . . . . . 3 PHE HD2 . 50489 1
29 . 1 . 1 3 3 PHE HE1 H 1 7.308 0.002 . 1 . . . . . 3 PHE HE1 . 50489 1
30 . 1 . 1 3 3 PHE HE2 H 1 7.308 0.002 . 1 . . . . . 3 PHE HE2 . 50489 1
31 . 1 . 1 3 3 PHE HZ H 1 7.271 0.006 . 1 . . . . . 3 PHE HZ . 50489 1
32 . 1 . 1 3 3 PHE CA C 13 56.684 0.000 . 1 . . . . . 3 PHE CA . 50489 1
33 . 1 . 1 3 3 PHE CB C 13 40.909 0.005 . 1 . . . . . 3 PHE CB . 50489 1
34 . 1 . 1 3 3 PHE CD1 C 13 131.864 0.000 . 1 . . . . . 3 PHE CD1 . 50489 1
35 . 1 . 1 3 3 PHE CD2 C 13 131.864 0.000 . 1 . . . . . 3 PHE CD2 . 50489 1
36 . 1 . 1 3 3 PHE CE1 C 13 131.468 0.000 . 1 . . . . . 3 PHE CE1 . 50489 1
37 . 1 . 1 3 3 PHE CE2 C 13 131.468 0.000 . 1 . . . . . 3 PHE CE2 . 50489 1
38 . 1 . 1 3 3 PHE CZ C 13 129.900 0.000 . 1 . . . . . 3 PHE CZ . 50489 1
39 . 1 . 1 4 4 THR H H 1 8.646 0.001 . 1 . . . . . 4 THR H . 50489 1
40 . 1 . 1 4 4 THR HA H 1 4.423 0.003 . 1 . . . . . 4 THR HA . 50489 1
41 . 1 . 1 4 4 THR HB H 1 4.464 0.003 . 1 . . . . . 4 THR HB . 50489 1
42 . 1 . 1 4 4 THR HG21 H 1 1.288 0.002 . 1 . . . . . 4 THR QG2 . 50489 1
43 . 1 . 1 4 4 THR HG22 H 1 1.288 0.002 . 1 . . . . . 4 THR QG2 . 50489 1
44 . 1 . 1 4 4 THR HG23 H 1 1.288 0.002 . 1 . . . . . 4 THR QG2 . 50489 1
45 . 1 . 1 4 4 THR CA C 13 61.587 0.010 . 1 . . . . . 4 THR CA . 50489 1
46 . 1 . 1 4 4 THR CB C 13 70.569 0.010 . 1 . . . . . 4 THR CB . 50489 1
47 . 1 . 1 4 4 THR CG2 C 13 21.706 0.000 . 1 . . . . . 4 THR CG2 . 50489 1
48 . 1 . 1 5 5 ORN H H 1 8.866 0.000 . 1 . . . . . 5 ORN H . 50489 1
49 . 1 . 1 5 5 ORN HA H 1 4.282 0.004 . 1 . . . . . 5 ORN HA . 50489 1
50 . 1 . 1 5 5 ORN HB2 H 1 1.892 0.003 . 2 . . . . . 5 ORN HB2 . 50489 1
51 . 1 . 1 5 5 ORN HB3 H 1 1.892 0.003 . 2 . . . . . 5 ORN HB3 . 50489 1
52 . 1 . 1 5 5 ORN HG2 H 1 1.761 0.002 . 2 . . . . . 5 ORN HG2 . 50489 1
53 . 1 . 1 5 5 ORN HG3 H 1 1.833 0.000 . 2 . . . . . 5 ORN HG3 . 50489 1
54 . 1 . 1 5 5 ORN HD2 H 1 3.020 0.003 . 2 . . . . . 5 ORN HD2 . 50489 1
55 . 1 . 1 5 5 ORN HD3 H 1 3.020 0.003 . 2 . . . . . 5 ORN HD3 . 50489 1
56 . 1 . 1 5 5 ORN HE1 H 1 7.704 0.000 . 2 . . . . . 5 ORN QE . 50489 1
57 . 1 . 1 5 5 ORN HE2 H 1 7.704 0.000 . 2 . . . . . 5 ORN QE . 50489 1
58 . 1 . 1 5 5 ORN CA C 13 57.953 0.023 . 1 . . . . . 5 ORN CA . 50489 1
59 . 1 . 1 5 5 ORN CB C 13 30.264 0.000 . 1 . . . . . 5 ORN CB . 50489 1
60 . 1 . 1 5 5 ORN CG C 13 26.313 0.000 . 1 . . . . . 5 ORN CG . 50489 1
61 . 1 . 1 5 5 ORN CD C 13 41.881 0.000 . 1 . . . . . 5 ORN CD . 50489 1
62 . 1 . 1 6 6 ALA H H 1 8.617 0.000 . 1 . . . . . 6 ALA H . 50489 1
63 . 1 . 1 6 6 ALA HA H 1 4.265 0.003 . 1 . . . . . 6 ALA HA . 50489 1
64 . 1 . 1 6 6 ALA HB1 H 1 1.388 0.002 . 1 . . . . . 6 ALA HB# . 50489 1
65 . 1 . 1 6 6 ALA HB2 H 1 1.388 0.002 . 1 . . . . . 6 ALA HB# . 50489 1
66 . 1 . 1 6 6 ALA HB3 H 1 1.388 0.002 . 1 . . . . . 6 ALA HB# . 50489 1
67 . 1 . 1 6 6 ALA CA C 13 53.862 0.005 . 1 . . . . . 6 ALA CA . 50489 1
68 . 1 . 1 6 6 ALA CB C 13 18.785 0.000 . 1 . . . . . 6 ALA CB . 50489 1
69 . 1 . 1 7 7 GLN H H 1 8.255 0.001 . 1 . . . . . 7 GLN H . 50489 1
70 . 1 . 1 7 7 GLN HA H 1 4.153 0.002 . 1 . . . . . 7 GLN HA . 50489 1
71 . 1 . 1 7 7 GLN HB2 H 1 1.907 0.003 . 2 . . . . . 7 GLN HB2 . 50489 1
72 . 1 . 1 7 7 GLN HB3 H 1 2.180 0.006 . 2 . . . . . 7 GLN HB3 . 50489 1
73 . 1 . 1 7 7 GLN HG2 H 1 2.325 0.005 . 2 . . . . . 7 GLN HG2 . 50489 1
74 . 1 . 1 7 7 GLN HG3 H 1 2.325 0.005 . 2 . . . . . 7 GLN HG3 . 50489 1
75 . 1 . 1 7 7 GLN HE21 H 1 6.976 0.001 . 2 . . . . . 7 GLN HE21 . 50489 1
76 . 1 . 1 7 7 GLN HE22 H 1 7.620 0.000 . 2 . . . . . 7 GLN HE22 . 50489 1
77 . 1 . 1 7 7 GLN CA C 13 57.186 0.020 . 1 . . . . . 7 GLN CA . 50489 1
78 . 1 . 1 7 7 GLN CB C 13 29.330 0.005 . 1 . . . . . 7 GLN CB . 50489 1
79 . 1 . 1 7 7 GLN CG C 13 34.157 0.000 . 1 . . . . . 7 GLN CG . 50489 1
80 . 1 . 1 8 8 TRP H H 1 8.529 0.001 . 1 . . . . . 8 TRP H . 50489 1
81 . 1 . 1 8 8 TRP HA H 1 4.440 0.004 . 1 . . . . . 8 TRP HA . 50489 1
82 . 1 . 1 8 8 TRP HB2 H 1 3.247 0.001 . 2 . . . . . 8 TRP HB2 . 50489 1
83 . 1 . 1 8 8 TRP HB3 H 1 3.247 0.001 . 2 . . . . . 8 TRP HB3 . 50489 1
84 . 1 . 1 8 8 TRP HD1 H 1 7.113 0.002 . 1 . . . . . 8 TRP HD1 . 50489 1
85 . 1 . 1 8 8 TRP HE1 H 1 10.188 0.002 . 1 . . . . . 8 TRP HE1 . 50489 1
86 . 1 . 1 8 8 TRP HE3 H 1 7.379 0.001 . 1 . . . . . 8 TRP HE3 . 50489 1
87 . 1 . 1 8 8 TRP HZ2 H 1 7.466 0.000 . 1 . . . . . 8 TRP HZ2 . 50489 1
88 . 1 . 1 8 8 TRP HZ3 H 1 7.098 0.003 . 1 . . . . . 8 TRP HZ3 . 50489 1
89 . 1 . 1 8 8 TRP HH2 H 1 7.223 0.000 . 1 . . . . . 8 TRP HH2 . 50489 1
90 . 1 . 1 8 8 TRP CA C 13 58.809 0.018 . 1 . . . . . 8 TRP CA . 50489 1
91 . 1 . 1 8 8 TRP CB C 13 29.740 0.000 . 1 . . . . . 8 TRP CB . 50489 1
92 . 1 . 1 8 8 TRP CD1 C 13 127.377 0.000 . 1 . . . . . 8 TRP CD1 . 50489 1
93 . 1 . 1 8 8 TRP CE3 C 13 120.842 0.000 . 1 . . . . . 8 TRP CE3 . 50489 1
94 . 1 . 1 8 8 TRP CZ2 C 13 114.787 0.000 . 1 . . . . . 8 TRP CZ2 . 50489 1
95 . 1 . 1 8 8 TRP CZ3 C 13 122.116 0.000 . 1 . . . . . 8 TRP CZ3 . 50489 1
96 . 1 . 1 8 8 TRP CH2 C 13 124.836 0.000 . 1 . . . . . 8 TRP CH2 . 50489 1
97 . 1 . 1 9 9 PHE H H 1 8.058 0.001 . 1 . . . . . 9 PHE H . 50489 1
98 . 1 . 1 9 9 PHE HA H 1 4.279 0.005 . 1 . . . . . 9 PHE HA . 50489 1
99 . 1 . 1 9 9 PHE HB2 H 1 2.995 0.003 . 2 . . . . . 9 PHE HB2 . 50489 1
100 . 1 . 1 9 9 PHE HB3 H 1 3.060 0.003 . 2 . . . . . 9 PHE HB3 . 50489 1
101 . 1 . 1 9 9 PHE HD1 H 1 7.191 0.002 . 1 . . . . . 9 PHE HD1 . 50489 1
102 . 1 . 1 9 9 PHE HD2 H 1 7.191 0.002 . 1 . . . . . 9 PHE HD2 . 50489 1
103 . 1 . 1 9 9 PHE HE1 H 1 7.270 0.003 . 1 . . . . . 9 PHE HE1 . 50489 1
104 . 1 . 1 9 9 PHE HE2 H 1 7.270 0.003 . 1 . . . . . 9 PHE HE2 . 50489 1
105 . 1 . 1 9 9 PHE HZ H 1 7.174 0.000 . 1 . . . . . 9 PHE HZ . 50489 1
106 . 1 . 1 9 9 PHE CA C 13 59.276 0.022 . 1 . . . . . 9 PHE CA . 50489 1
107 . 1 . 1 9 9 PHE CB C 13 39.647 0.002 . 1 . . . . . 9 PHE CB . 50489 1
108 . 1 . 1 9 9 PHE CD1 C 13 132.049 0.000 . 1 . . . . . 9 PHE CD1 . 50489 1
109 . 1 . 1 9 9 PHE CD2 C 13 132.049 0.000 . 1 . . . . . 9 PHE CD2 . 50489 1
110 . 1 . 1 9 9 PHE CE1 C 13 131.429 0.000 . 1 . . . . . 9 PHE CE1 . 50489 1
111 . 1 . 1 9 9 PHE CE2 C 13 131.429 0.000 . 1 . . . . . 9 PHE CE2 . 50489 1
112 . 1 . 1 9 9 PHE CZ C 13 129.887 0.000 . 1 . . . . . 9 PHE CZ . 50489 1
113 . 1 . 1 10 10 ALA H H 1 7.933 0.002 . 1 . . . . . 10 ALA H . 50489 1
114 . 1 . 1 10 10 ALA HA H 1 4.113 0.003 . 1 . . . . . 10 ALA HA . 50489 1
115 . 1 . 1 10 10 ALA HB1 H 1 1.417 0.004 . 1 . . . . . 10 ALA HB# . 50489 1
116 . 1 . 1 10 10 ALA HB2 H 1 1.417 0.004 . 1 . . . . . 10 ALA HB# . 50489 1
117 . 1 . 1 10 10 ALA HB3 H 1 1.417 0.004 . 1 . . . . . 10 ALA HB# . 50489 1
118 . 1 . 1 10 10 ALA CA C 13 53.579 0.010 . 1 . . . . . 10 ALA CA . 50489 1
119 . 1 . 1 10 10 ALA CB C 13 18.722 0.000 . 1 . . . . . 10 ALA CB . 50489 1
120 . 1 . 1 11 11 ILE H H 1 7.923 0.001 . 1 . . . . . 11 ILE H . 50489 1
121 . 1 . 1 11 11 ILE HA H 1 3.883 0.003 . 1 . . . . . 11 ILE HA . 50489 1
122 . 1 . 1 11 11 ILE HB H 1 1.728 0.002 . 1 . . . . . 11 ILE HB . 50489 1
123 . 1 . 1 11 11 ILE HG12 H 1 1.064 0.003 . 2 . . . . . 11 ILE HG12 . 50489 1
124 . 1 . 1 11 11 ILE HG13 H 1 1.420 0.003 . 2 . . . . . 11 ILE HG13 . 50489 1
125 . 1 . 1 11 11 ILE HG21 H 1 0.756 0.002 . 1 . . . . . 11 ILE QG2 . 50489 1
126 . 1 . 1 11 11 ILE HG22 H 1 0.756 0.002 . 1 . . . . . 11 ILE QG2 . 50489 1
127 . 1 . 1 11 11 ILE HG23 H 1 0.756 0.002 . 1 . . . . . 11 ILE QG2 . 50489 1
128 . 1 . 1 11 11 ILE HD11 H 1 0.597 0.002 . 1 . . . . . 11 ILE QD1 . 50489 1
129 . 1 . 1 11 11 ILE HD12 H 1 0.597 0.002 . 1 . . . . . 11 ILE QD1 . 50489 1
130 . 1 . 1 11 11 ILE HD13 H 1 0.597 0.002 . 1 . . . . . 11 ILE QD1 . 50489 1
131 . 1 . 1 11 11 ILE CA C 13 62.476 0.040 . 1 . . . . . 11 ILE CA . 50489 1
132 . 1 . 1 11 11 ILE CB C 13 38.639 0.000 . 1 . . . . . 11 ILE CB . 50489 1
133 . 1 . 1 11 11 ILE CG1 C 13 28.227 0.007 . 1 . . . . . 11 ILE CG1 . 50489 1
134 . 1 . 1 11 11 ILE CG2 C 13 17.289 0.000 . 1 . . . . . 11 ILE CG2 . 50489 1
135 . 1 . 1 11 11 ILE CD1 C 13 13.117 0.000 . 1 . . . . . 11 ILE CD1 . 50489 1
136 . 1 . 1 12 12 GLN H H 1 8.109 0.001 . 1 . . . . . 12 GLN H . 50489 1
137 . 1 . 1 12 12 GLN HA H 1 4.075 0.004 . 1 . . . . . 12 GLN HA . 50489 1
138 . 1 . 1 12 12 GLN HB2 H 1 1.772 0.003 . 2 . . . . . 12 GLN HB2 . 50489 1
139 . 1 . 1 12 12 GLN HB3 H 1 1.842 0.003 . 2 . . . . . 12 GLN HB3 . 50489 1
140 . 1 . 1 12 12 GLN HG2 H 1 2.062 0.003 . 2 . . . . . 12 GLN HG2 . 50489 1
141 . 1 . 1 12 12 GLN HG3 H 1 2.092 0.006 . 2 . . . . . 12 GLN HG3 . 50489 1
142 . 1 . 1 12 12 GLN HE21 H 1 6.792 0.005 . 2 . . . . . 12 GLN HE21 . 50489 1
143 . 1 . 1 12 12 GLN HE22 H 1 7.152 0.003 . 2 . . . . . 12 GLN HE22 . 50489 1
144 . 1 . 1 12 12 GLN CA C 13 56.010 0.025 . 1 . . . . . 12 GLN CA . 50489 1
145 . 1 . 1 12 12 GLN CB C 13 29.308 0.007 . 1 . . . . . 12 GLN CB . 50489 1
146 . 1 . 1 12 12 GLN CG C 13 33.703 0.017 . 1 . . . . . 12 GLN CG . 50489 1
147 . 1 . 1 13 13 HIS H H 1 8.269 0.003 . 1 . . . . . 13 HIS H . 50489 1
148 . 1 . 1 13 13 HIS HA H 1 4.582 0.006 . 1 . . . . . 13 HIS HA . 50489 1
149 . 1 . 1 13 13 HIS HB2 H 1 2.944 0.003 . 2 . . . . . 13 HIS HB2 . 50489 1
150 . 1 . 1 13 13 HIS HB3 H 1 3.193 0.003 . 2 . . . . . 13 HIS HB3 . 50489 1
151 . 1 . 1 13 13 HIS HD2 H 1 7.119 0.002 . 1 . . . . . 13 HIS HD2 . 50489 1
152 . 1 . 1 13 13 HIS HE1 H 1 8.395 0.002 . 1 . . . . . 13 HIS HE1 . 50489 1
153 . 1 . 1 13 13 HIS CA C 13 55.573 0.000 . 1 . . . . . 13 HIS CA . 50489 1
154 . 1 . 1 13 13 HIS CB C 13 28.649 0.008 . 1 . . . . . 13 HIS CB . 50489 1
155 . 1 . 1 13 13 HIS CD2 C 13 120.055 0.000 . 1 . . . . . 13 HIS CD2 . 50489 1
156 . 1 . 1 13 13 HIS CE1 C 13 136.198 0.000 . 1 . . . . . 13 HIS CE1 . 50489 1
157 . 1 . 1 14 14 ILE H H 1 8.149 0.001 . 1 . . . . . 14 ILE H . 50489 1
158 . 1 . 1 14 14 ILE HA H 1 4.160 0.005 . 1 . . . . . 14 ILE HA . 50489 1
159 . 1 . 1 14 14 ILE HB H 1 1.790 0.002 . 1 . . . . . 14 ILE HB . 50489 1
160 . 1 . 1 14 14 ILE HG12 H 1 1.143 0.002 . 2 . . . . . 14 ILE HG12 . 50489 1
161 . 1 . 1 14 14 ILE HG13 H 1 1.465 0.002 . 2 . . . . . 14 ILE HG13 . 50489 1
162 . 1 . 1 14 14 ILE HG21 H 1 0.863 0.002 . 1 . . . . . 14 ILE QG2 . 50489 1
163 . 1 . 1 14 14 ILE HG22 H 1 0.863 0.002 . 1 . . . . . 14 ILE QG2 . 50489 1
164 . 1 . 1 14 14 ILE HG23 H 1 0.863 0.002 . 1 . . . . . 14 ILE QG2 . 50489 1
165 . 1 . 1 14 14 ILE HD11 H 1 0.833 0.002 . 1 . . . . . 14 ILE QD1 . 50489 1
166 . 1 . 1 14 14 ILE HD12 H 1 0.833 0.002 . 1 . . . . . 14 ILE QD1 . 50489 1
167 . 1 . 1 14 14 ILE HD13 H 1 0.833 0.002 . 1 . . . . . 14 ILE QD1 . 50489 1
168 . 1 . 1 14 14 ILE CA C 13 61.084 0.020 . 1 . . . . . 14 ILE CA . 50489 1
169 . 1 . 1 14 14 ILE CB C 13 38.834 0.000 . 1 . . . . . 14 ILE CB . 50489 1
170 . 1 . 1 14 14 ILE CG1 C 13 27.381 0.012 . 1 . . . . . 14 ILE CG1 . 50489 1
171 . 1 . 1 14 14 ILE CG2 C 13 17.401 0.000 . 1 . . . . . 14 ILE CG2 . 50489 1
172 . 1 . 1 14 14 ILE CD1 C 13 12.864 0.000 . 1 . . . . . 14 ILE CD1 . 50489 1
173 . 1 . 1 15 15 SER H H 1 8.701 0.000 . 1 . . . . . 15 SER H . 50489 1
174 . 1 . 1 15 15 SER HA H 1 4.749 0.006 . 1 . . . . . 15 SER HA . 50489 1
175 . 1 . 1 15 15 SER HB2 H 1 3.826 0.005 . 2 . . . . . 15 SER HB2 . 50489 1
176 . 1 . 1 15 15 SER HB3 H 1 3.889 0.006 . 2 . . . . . 15 SER HB3 . 50489 1
177 . 1 . 1 15 15 SER CA C 13 56.540 0.000 . 1 . . . . . 15 SER CA . 50489 1
178 . 1 . 1 15 15 SER CB C 13 63.241 0.030 . 1 . . . . . 15 SER CB . 50489 1
179 . 1 . 1 16 16 PRO HA H 1 4.425 0.003 . 1 . . . . . 16 PRO HA . 50489 1
180 . 1 . 1 16 16 PRO HB2 H 1 1.925 0.004 . 2 . . . . . 16 PRO HB2 . 50489 1
181 . 1 . 1 16 16 PRO HB3 H 1 2.310 0.002 . 2 . . . . . 16 PRO HB3 . 50489 1
182 . 1 . 1 16 16 PRO HG2 H 1 2.031 0.003 . 2 . . . . . 16 PRO HG2 . 50489 1
183 . 1 . 1 16 16 PRO HG3 H 1 2.031 0.003 . 2 . . . . . 16 PRO HG3 . 50489 1
184 . 1 . 1 16 16 PRO HD2 H 1 3.751 0.001 . 2 . . . . . 16 PRO HD2 . 50489 1
185 . 1 . 1 16 16 PRO HD3 H 1 3.872 0.002 . 2 . . . . . 16 PRO HD3 . 50489 1
186 . 1 . 1 16 16 PRO CA C 13 63.372 0.030 . 1 . . . . . 16 PRO CA . 50489 1
187 . 1 . 1 16 16 PRO CB C 13 32.302 0.012 . 1 . . . . . 16 PRO CB . 50489 1
188 . 1 . 1 16 16 PRO CG C 13 27.466 0.000 . 1 . . . . . 16 PRO CG . 50489 1
189 . 1 . 1 16 16 PRO CD C 13 50.961 0.004 . 1 . . . . . 16 PRO CD . 50489 1
190 . 1 . 1 17 17 ORN H H 1 8.589 0.001 . 1 . . . . . 17 ORN H . 50489 1
191 . 1 . 1 17 17 ORN HA H 1 4.375 0.003 . 1 . . . . . 17 ORN HA . 50489 1
192 . 1 . 1 17 17 ORN HB2 H 1 1.787 0.004 . 2 . . . . . 17 ORN HB2 . 50489 1
193 . 1 . 1 17 17 ORN HB3 H 1 1.870 0.005 . 2 . . . . . 17 ORN HB3 . 50489 1
194 . 1 . 1 17 17 ORN HG2 H 1 1.756 0.003 . 2 . . . . . 17 ORN HG2 . 50489 1
195 . 1 . 1 17 17 ORN HG3 H 1 1.756 0.003 . 2 . . . . . 17 ORN HG3 . 50489 1
196 . 1 . 1 17 17 ORN HD2 H 1 3.018 0.000 . 2 . . . . . 17 ORN HD2 . 50489 1
197 . 1 . 1 17 17 ORN HD3 H 1 3.018 0.000 . 2 . . . . . 17 ORN HD3 . 50489 1
198 . 1 . 1 17 17 ORN HE1 H 1 7.704 0.000 . 2 . . . . . 17 ORN QE . 50489 1
199 . 1 . 1 17 17 ORN HE2 H 1 7.704 0.000 . 2 . . . . . 17 ORN QE . 50489 1
200 . 1 . 1 17 17 ORN CA C 13 56.102 0.013 . 1 . . . . . 17 ORN CA . 50489 1
201 . 1 . 1 17 17 ORN CB C 13 30.526 0.012 . 1 . . . . . 17 ORN CB . 50489 1
202 . 1 . 1 17 17 ORN CG C 13 26.235 0.000 . 1 . . . . . 17 ORN CG . 50489 1
203 . 1 . 1 18 18 THR H H 1 8.302 0.001 . 1 . . . . . 18 THR H . 50489 1
204 . 1 . 1 18 18 THR HA H 1 4.299 0.002 . 1 . . . . . 18 THR HA . 50489 1
205 . 1 . 1 18 18 THR HB H 1 4.151 0.003 . 1 . . . . . 18 THR HB . 50489 1
206 . 1 . 1 18 18 THR HG21 H 1 1.191 0.002 . 1 . . . . . 18 THR QG2 . 50489 1
207 . 1 . 1 18 18 THR HG22 H 1 1.191 0.002 . 1 . . . . . 18 THR QG2 . 50489 1
208 . 1 . 1 18 18 THR HG23 H 1 1.191 0.002 . 1 . . . . . 18 THR QG2 . 50489 1
209 . 1 . 1 18 18 THR CA C 13 62.184 0.006 . 1 . . . . . 18 THR CA . 50489 1
210 . 1 . 1 18 18 THR CB C 13 70.008 0.038 . 1 . . . . . 18 THR CB . 50489 1
211 . 1 . 1 18 18 THR CG2 C 13 21.767 0.000 . 1 . . . . . 18 THR CG2 . 50489 1
212 . 1 . 1 19 19 ILE H H 1 8.392 0.001 . 1 . . . . . 19 ILE H . 50489 1
213 . 1 . 1 19 19 ILE HA H 1 4.125 0.003 . 1 . . . . . 19 ILE HA . 50489 1
214 . 1 . 1 19 19 ILE HB H 1 1.838 0.003 . 1 . . . . . 19 ILE HB . 50489 1
215 . 1 . 1 19 19 ILE HG12 H 1 1.188 0.003 . 2 . . . . . 19 ILE HG12 . 50489 1
216 . 1 . 1 19 19 ILE HG13 H 1 1.486 0.001 . 2 . . . . . 19 ILE HG13 . 50489 1
217 . 1 . 1 19 19 ILE HG21 H 1 0.911 0.002 . 1 . . . . . 19 ILE QG2 . 50489 1
218 . 1 . 1 19 19 ILE HG22 H 1 0.911 0.002 . 1 . . . . . 19 ILE QG2 . 50489 1
219 . 1 . 1 19 19 ILE HG23 H 1 0.911 0.002 . 1 . . . . . 19 ILE QG2 . 50489 1
220 . 1 . 1 19 19 ILE HD11 H 1 0.859 0.002 . 1 . . . . . 19 ILE QD1 . 50489 1
221 . 1 . 1 19 19 ILE HD12 H 1 0.859 0.002 . 1 . . . . . 19 ILE QD1 . 50489 1
222 . 1 . 1 19 19 ILE HD13 H 1 0.859 0.002 . 1 . . . . . 19 ILE QD1 . 50489 1
223 . 1 . 1 19 19 ILE CA C 13 61.172 0.014 . 1 . . . . . 19 ILE CA . 50489 1
224 . 1 . 1 19 19 ILE CB C 13 38.883 0.000 . 1 . . . . . 19 ILE CB . 50489 1
225 . 1 . 1 19 19 ILE CG1 C 13 27.399 0.019 . 1 . . . . . 19 ILE CG1 . 50489 1
226 . 1 . 1 19 19 ILE CG2 C 13 17.421 0.000 . 1 . . . . . 19 ILE CG2 . 50489 1
227 . 1 . 1 19 19 ILE CD1 C 13 12.948 0.000 . 1 . . . . . 19 ILE CD1 . 50489 1
228 . 1 . 1 20 20 ALA H H 1 8.499 0.002 . 1 . . . . . 20 ALA H . 50489 1
229 . 1 . 1 20 20 ALA HA H 1 4.293 0.005 . 1 . . . . . 20 ALA HA . 50489 1
230 . 1 . 1 20 20 ALA HB1 H 1 1.370 0.003 . 1 . . . . . 20 ALA HB# . 50489 1
231 . 1 . 1 20 20 ALA HB2 H 1 1.370 0.003 . 1 . . . . . 20 ALA HB# . 50489 1
232 . 1 . 1 20 20 ALA HB3 H 1 1.370 0.003 . 1 . . . . . 20 ALA HB# . 50489 1
233 . 1 . 1 20 20 ALA CA C 13 52.533 0.000 . 1 . . . . . 20 ALA CA . 50489 1
234 . 1 . 1 20 20 ALA CB C 13 19.199 0.000 . 1 . . . . . 20 ALA CB . 50489 1
235 . 1 . 1 21 21 MET H H 1 8.483 0.001 . 1 . . . . . 21 MET H . 50489 1
236 . 1 . 1 21 21 MET HA H 1 4.418 0.005 . 1 . . . . . 21 MET HA . 50489 1
237 . 1 . 1 21 21 MET HB2 H 1 2.014 0.003 . 2 . . . . . 21 MET HB2 . 50489 1
238 . 1 . 1 21 21 MET HB3 H 1 2.045 0.006 . 2 . . . . . 21 MET HB3 . 50489 1
239 . 1 . 1 21 21 MET HG2 H 1 2.558 0.004 . 2 . . . . . 21 MET HG2 . 50489 1
240 . 1 . 1 21 21 MET HG3 H 1 2.612 0.007 . 2 . . . . . 21 MET HG3 . 50489 1
241 . 1 . 1 21 21 MET HE1 H 1 2.092 0.000 . 1 . . . . . 21 MET HE# . 50489 1
242 . 1 . 1 21 21 MET HE2 H 1 2.092 0.000 . 1 . . . . . 21 MET HE# . 50489 1
243 . 1 . 1 21 21 MET HE3 H 1 2.092 0.000 . 1 . . . . . 21 MET HE# . 50489 1
244 . 1 . 1 21 21 MET CA C 13 55.519 0.008 . 1 . . . . . 21 MET CA . 50489 1
245 . 1 . 1 21 21 MET CB C 13 33.093 0.002 . 1 . . . . . 21 MET CB . 50489 1
246 . 1 . 1 21 21 MET CG C 13 31.962 0.007 . 1 . . . . . 21 MET CG . 50489 1
247 . 1 . 1 21 21 MET CE C 13 16.993 0.000 . 1 . . . . . 21 MET CE . 50489 1
248 . 1 . 1 22 22 ORN H H 1 8.511 0.001 . 1 . . . . . 22 ORN H . 50489 1
249 . 1 . 1 22 22 ORN HA H 1 4.309 0.001 . 1 . . . . . 22 ORN HA . 50489 1
250 . 1 . 1 22 22 ORN HB2 H 1 1.760 0.000 . 2 . . . . . 22 ORN HB2 . 50489 1
251 . 1 . 1 22 22 ORN HB3 H 1 1.852 0.000 . 2 . . . . . 22 ORN HB3 . 50489 1
252 . 1 . 1 22 22 ORN HG2 H 1 1.738 0.000 . 2 . . . . . 22 ORN HG2 . 50489 1
253 . 1 . 1 22 22 ORN HG3 H 1 1.738 0.000 . 2 . . . . . 22 ORN HG3 . 50489 1
254 . 1 . 1 22 22 ORN HD2 H 1 3.014 0.001 . 2 . . . . . 22 ORN HD2 . 50489 1
255 . 1 . 1 22 22 ORN HD3 H 1 3.014 0.001 . 2 . . . . . 22 ORN HD3 . 50489 1
256 . 1 . 1 22 22 ORN HE1 H 1 7.678 0.000 . 2 . . . . . 22 ORN QE . 50489 1
257 . 1 . 1 22 22 ORN HE2 H 1 7.678 0.000 . 2 . . . . . 22 ORN QE . 50489 1
258 . 1 . 1 22 22 ORN CA C 13 55.914 0.003 . 1 . . . . . 22 ORN CA . 50489 1
259 . 1 . 1 22 22 ORN CB C 13 30.691 0.006 . 1 . . . . . 22 ORN CB . 50489 1
260 . 1 . 1 22 22 ORN CG C 13 26.172 0.000 . 1 . . . . . 22 ORN CG . 50489 1
261 . 1 . 1 23 23 ALA H H 1 8.503 0.003 . 1 . . . . . 23 ALA H . 50489 1
262 . 1 . 1 23 23 ALA HA H 1 4.294 0.005 . 1 . . . . . 23 ALA HA . 50489 1
263 . 1 . 1 23 23 ALA HB1 H 1 1.372 0.004 . 1 . . . . . 23 ALA HB# . 50489 1
264 . 1 . 1 23 23 ALA HB2 H 1 1.372 0.004 . 1 . . . . . 23 ALA HB# . 50489 1
265 . 1 . 1 23 23 ALA HB3 H 1 1.372 0.004 . 1 . . . . . 23 ALA HB# . 50489 1
266 . 1 . 1 23 23 ALA CA C 13 52.533 0.000 . 1 . . . . . 23 ALA CA . 50489 1
267 . 1 . 1 23 23 ALA CB C 13 19.199 0.000 . 1 . . . . . 23 ALA CB . 50489 1
268 . 1 . 1 24 24 ILE H H 1 8.340 0.001 . 1 . . . . . 24 ILE H . 50489 1
269 . 1 . 1 24 24 ILE HA H 1 4.103 0.004 . 1 . . . . . 24 ILE HA . 50489 1
270 . 1 . 1 24 24 ILE HB H 1 1.829 0.006 . 1 . . . . . 24 ILE HB . 50489 1
271 . 1 . 1 24 24 ILE HG12 H 1 1.179 0.004 . 2 . . . . . 24 ILE HG12 . 50489 1
272 . 1 . 1 24 24 ILE HG13 H 1 1.477 0.003 . 2 . . . . . 24 ILE HG13 . 50489 1
273 . 1 . 1 24 24 ILE HG21 H 1 0.886 0.003 . 1 . . . . . 24 ILE QG2 . 50489 1
274 . 1 . 1 24 24 ILE HG22 H 1 0.886 0.003 . 1 . . . . . 24 ILE QG2 . 50489 1
275 . 1 . 1 24 24 ILE HG23 H 1 0.886 0.003 . 1 . . . . . 24 ILE QG2 . 50489 1
276 . 1 . 1 24 24 ILE HD11 H 1 0.841 0.000 . 1 . . . . . 24 ILE QD1 . 50489 1
277 . 1 . 1 24 24 ILE HD12 H 1 0.841 0.000 . 1 . . . . . 24 ILE QD1 . 50489 1
278 . 1 . 1 24 24 ILE HD13 H 1 0.841 0.000 . 1 . . . . . 24 ILE QD1 . 50489 1
279 . 1 . 1 24 24 ILE CA C 13 61.224 0.010 . 1 . . . . . 24 ILE CA . 50489 1
280 . 1 . 1 24 24 ILE CB C 13 38.858 0.000 . 1 . . . . . 24 ILE CB . 50489 1
281 . 1 . 1 24 24 ILE CG1 C 13 27.400 0.019 . 1 . . . . . 24 ILE CG1 . 50489 1
282 . 1 . 1 24 24 ILE CG2 C 13 17.503 0.000 . 1 . . . . . 24 ILE CG2 . 50489 1
283 . 1 . 1 24 24 ILE CD1 C 13 12.906 0.000 . 1 . . . . . 24 ILE CD1 . 50489 1
284 . 1 . 1 25 25 ASN H H 1 8.598 0.001 . 1 . . . . . 25 ASN H . 50489 1
285 . 1 . 1 25 25 ASN HA H 1 4.665 0.004 . 1 . . . . . 25 ASN HA . 50489 1
286 . 1 . 1 25 25 ASN HB2 H 1 2.670 0.003 . 2 . . . . . 25 ASN HB2 . 50489 1
287 . 1 . 1 25 25 ASN HB3 H 1 2.726 0.008 . 2 . . . . . 25 ASN HB3 . 50489 1
288 . 1 . 1 25 25 ASN HD21 H 1 6.981 0.001 . 2 . . . . . 25 ASN HD21 . 50489 1
289 . 1 . 1 25 25 ASN HD22 H 1 7.660 0.002 . 2 . . . . . 25 ASN HD22 . 50489 1
290 . 1 . 1 25 25 ASN CA C 13 53.098 0.000 . 1 . . . . . 25 ASN CA . 50489 1
291 . 1 . 1 25 25 ASN CB C 13 38.999 0.001 . 1 . . . . . 25 ASN CB . 50489 1
292 . 1 . 1 26 26 ASN H H 1 8.502 0.001 . 1 . . . . . 26 ASN H . 50489 1
293 . 1 . 1 26 26 ASN HA H 1 4.679 0.006 . 1 . . . . . 26 ASN HA . 50489 1
294 . 1 . 1 26 26 ASN HB2 H 1 2.680 0.004 . 2 . . . . . 26 ASN HB2 . 50489 1
295 . 1 . 1 26 26 ASN HB3 H 1 2.749 0.004 . 2 . . . . . 26 ASN HB3 . 50489 1
296 . 1 . 1 26 26 ASN HD21 H 1 6.941 0.002 . 2 . . . . . 26 ASN HD21 . 50489 1
297 . 1 . 1 26 26 ASN HD22 H 1 7.639 0.000 . 2 . . . . . 26 ASN HD22 . 50489 1
298 . 1 . 1 26 26 ASN CA C 13 53.032 0.000 . 1 . . . . . 26 ASN CA . 50489 1
299 . 1 . 1 26 26 ASN CB C 13 38.785 0.020 . 1 . . . . . 26 ASN CB . 50489 1
300 . 1 . 1 27 27 TYR H H 1 8.241 0.001 . 1 . . . . . 27 TYR H . 50489 1
301 . 1 . 1 27 27 TYR HA H 1 4.436 0.003 . 1 . . . . . 27 TYR HA . 50489 1
302 . 1 . 1 27 27 TYR HB2 H 1 2.915 0.001 . 2 . . . . . 27 TYR HB2 . 50489 1
303 . 1 . 1 27 27 TYR HB3 H 1 2.915 0.001 . 2 . . . . . 27 TYR HB3 . 50489 1
304 . 1 . 1 27 27 TYR HD1 H 1 7.025 0.001 . 1 . . . . . 27 TYR HD1 . 50489 1
305 . 1 . 1 27 27 TYR HD2 H 1 7.025 0.001 . 1 . . . . . 27 TYR HD2 . 50489 1
306 . 1 . 1 27 27 TYR HE1 H 1 6.784 0.002 . 1 . . . . . 27 TYR HE1 . 50489 1
307 . 1 . 1 27 27 TYR HE2 H 1 6.784 0.002 . 1 . . . . . 27 TYR HE2 . 50489 1
308 . 1 . 1 27 27 TYR CA C 13 58.474 0.015 . 1 . . . . . 27 TYR CA . 50489 1
309 . 1 . 1 27 27 TYR CB C 13 38.510 0.000 . 1 . . . . . 27 TYR CB . 50489 1
310 . 1 . 1 27 27 TYR CD1 C 13 133.238 0.000 . 1 . . . . . 27 TYR CD1 . 50489 1
311 . 1 . 1 27 27 TYR CD2 C 13 133.238 0.000 . 1 . . . . . 27 TYR CD2 . 50489 1
312 . 1 . 1 27 27 TYR CE1 C 13 118.260 0.000 . 1 . . . . . 27 TYR CE1 . 50489 1
313 . 1 . 1 27 27 TYR CE2 C 13 118.260 0.000 . 1 . . . . . 27 TYR CE2 . 50489 1
314 . 1 . 1 28 28 ORN H H 1 8.181 0.001 . 1 . . . . . 28 ORN H . 50489 1
315 . 1 . 1 28 28 ORN HA H 1 4.251 0.005 . 1 . . . . . 28 ORN HA . 50489 1
316 . 1 . 1 28 28 ORN HB2 H 1 1.633 0.009 . 2 . . . . . 28 ORN HB2 . 50489 1
317 . 1 . 1 28 28 ORN HB3 H 1 1.728 0.001 . 2 . . . . . 28 ORN HB3 . 50489 1
318 . 1 . 1 28 28 ORN HG2 H 1 1.577 0.005 . 2 . . . . . 28 ORN HG2 . 50489 1
319 . 1 . 1 28 28 ORN HG3 H 1 1.577 0.005 . 2 . . . . . 28 ORN HG3 . 50489 1
320 . 1 . 1 28 28 ORN HD2 H 1 2.957 0.005 . 2 . . . . . 28 ORN HD2 . 50489 1
321 . 1 . 1 28 28 ORN HD3 H 1 2.957 0.005 . 2 . . . . . 28 ORN HD3 . 50489 1
322 . 1 . 1 28 28 ORN HE1 H 1 7.623 0.000 . 2 . . . . . 28 ORN QE . 50489 1
323 . 1 . 1 28 28 ORN HE2 H 1 7.623 0.000 . 2 . . . . . 28 ORN QE . 50489 1
324 . 1 . 1 28 28 ORN CA C 13 55.595 0.020 . 1 . . . . . 28 ORN CA . 50489 1
325 . 1 . 1 28 28 ORN CB C 13 30.673 0.000 . 1 . . . . . 28 ORN CB . 50489 1
326 . 1 . 1 28 28 ORN CG C 13 26.081 0.000 . 1 . . . . . 28 ORN CG . 50489 1
327 . 1 . 1 28 28 ORN CD C 13 41.803 0.000 . 1 . . . . . 28 ORN CD . 50489 1
328 . 1 . 1 29 29 TRP H H 1 8.257 0.000 . 1 . . . . . 29 TRP H . 50489 1
329 . 1 . 1 29 29 TRP HA H 1 4.507 0.003 . 1 . . . . . 29 TRP HA . 50489 1
330 . 1 . 1 29 29 TRP HB2 H 1 3.265 0.004 . 2 . . . . . 29 TRP HB2 . 50489 1
331 . 1 . 1 29 29 TRP HB3 H 1 3.265 0.004 . 2 . . . . . 29 TRP HB3 . 50489 1
332 . 1 . 1 29 29 TRP HD1 H 1 7.281 0.001 . 1 . . . . . 29 TRP HD1 . 50489 1
333 . 1 . 1 29 29 TRP HE1 H 1 10.232 0.002 . 1 . . . . . 29 TRP HE1 . 50489 1
334 . 1 . 1 29 29 TRP HE3 H 1 7.645 0.002 . 1 . . . . . 29 TRP HE3 . 50489 1
335 . 1 . 1 29 29 TRP HZ2 H 1 7.464 0.001 . 1 . . . . . 29 TRP HZ2 . 50489 1
336 . 1 . 1 29 29 TRP HZ3 H 1 7.163 0.001 . 1 . . . . . 29 TRP HZ3 . 50489 1
337 . 1 . 1 29 29 TRP HH2 H 1 7.228 0.004 . 1 . . . . . 29 TRP HH2 . 50489 1
338 . 1 . 1 29 29 TRP CA C 13 57.923 0.014 . 1 . . . . . 29 TRP CA . 50489 1
339 . 1 . 1 29 29 TRP CB C 13 29.514 0.000 . 1 . . . . . 29 TRP CB . 50489 1
340 . 1 . 1 29 29 TRP CD1 C 13 127.472 0.000 . 1 . . . . . 29 TRP CD1 . 50489 1
341 . 1 . 1 29 29 TRP CE3 C 13 121.098 0.000 . 1 . . . . . 29 TRP CE3 . 50489 1
342 . 1 . 1 29 29 TRP CZ2 C 13 114.787 0.000 . 1 . . . . . 29 TRP CZ2 . 50489 1
343 . 1 . 1 29 29 TRP CZ3 C 13 122.286 0.000 . 1 . . . . . 29 TRP CZ3 . 50489 1
344 . 1 . 1 29 29 TRP CH2 C 13 124.836 0.000 . 1 . . . . . 29 TRP CH2 . 50489 1
345 . 1 . 1 30 30 ORN H H 1 8.157 0.002 . 1 . . . . . 30 ORN H . 50489 1
346 . 1 . 1 30 30 ORN HA H 1 4.121 0.003 . 1 . . . . . 30 ORN HA . 50489 1
347 . 1 . 1 30 30 ORN HB2 H 1 1.550 0.004 . 2 . . . . . 30 ORN HB2 . 50489 1
348 . 1 . 1 30 30 ORN HB3 H 1 1.738 0.001 . 2 . . . . . 30 ORN HB3 . 50489 1
349 . 1 . 1 30 30 ORN HG2 H 1 1.531 0.004 . 2 . . . . . 30 ORN HG2 . 50489 1
350 . 1 . 1 30 30 ORN HG3 H 1 1.531 0.004 . 2 . . . . . 30 ORN HG3 . 50489 1
351 . 1 . 1 30 30 ORN HD2 H 1 2.905 0.003 . 2 . . . . . 30 ORN HD2 . 50489 1
352 . 1 . 1 30 30 ORN HD3 H 1 2.905 0.003 . 2 . . . . . 30 ORN HD3 . 50489 1
353 . 1 . 1 30 30 ORN HE1 H 1 7.588 0.000 . 2 . . . . . 30 ORN QE . 50489 1
354 . 1 . 1 30 30 ORN HE2 H 1 7.588 0.000 . 2 . . . . . 30 ORN QE . 50489 1
355 . 1 . 1 30 30 ORN CA C 13 55.508 0.035 . 1 . . . . . 30 ORN CA . 50489 1
356 . 1 . 1 30 30 ORN CB C 13 30.734 0.000 . 1 . . . . . 30 ORN CB . 50489 1
357 . 1 . 1 30 30 ORN CG C 13 25.940 0.000 . 1 . . . . . 30 ORN CG . 50489 1
358 . 1 . 1 30 30 ORN CD C 13 41.783 0.000 . 1 . . . . . 30 ORN CD . 50489 1
359 . 1 . 1 31 31 NH2 HN1 H 1 6.757 0.001 . 2 . . . . . 31 NH2 HN1 . 50489 1
360 . 1 . 1 31 31 NH2 HN2 H 1 6.934 0.001 . 2 . . . . . 31 NH2 HN2 . 50489 1
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