Content for NMR-STAR saveframe, "assigned_chemical_shifts_2"
save_assigned_chemical_shifts_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2
_Assigned_chem_shift_list.Entry_ID 50488
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name opOrn-hECP30_25H
_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
12 '2D 1H-1H COSY' . . . 50488 2
13 '2D 1H-1H TOCSY' . . . 50488 2
14 '2D 1H-1H NOESY' . . . 50488 2
15 '2D 1H-13C HSQC aliphatic' . . . 50488 2
16 '2D 1H-13C HSQC aromatic' . . . 50488 2
18 '2D 1H-1H TOCSY' . . . 50488 2
19 '2D 1H-13C HSQC aliphatic' . . . 50488 2
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 2
2 $software_2 . . 50488 2
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 4.360 0.002 . 1 . . . . . 1 DORN HA . 50488 2
2 . 1 . 1 1 1 ORD HB2 H 1 1.921 0.004 . 2 . . . . . 1 DORN HB2 . 50488 2
3 . 1 . 1 1 1 ORD HB3 H 1 1.921 0.004 . 2 . . . . . 1 DORN HB3 . 50488 2
4 . 1 . 1 1 1 ORD HG2 H 1 1.737 0.000 . 2 . . . . . 1 DORN HG2 . 50488 2
5 . 1 . 1 1 1 ORD HG3 H 1 1.768 0.000 . 2 . . . . . 1 DORN HG3 . 50488 2
6 . 1 . 1 1 1 ORD CA C 13 54.050 0.033 . 1 . . . . . 1 DORN CA . 50488 2
7 . 1 . 1 1 1 ORD CB C 13 29.691 0.051 . 1 . . . . . 1 DORN CB . 50488 2
8 . 1 . 1 1 1 ORD CG C 13 24.782 0.010 . 1 . . . . . 1 DORN CG . 50488 2
9 . 1 . 1 2 2 DPR HA H 1 4.390 0.001 . 1 . . . . . 2 DPRO HA . 50488 2
10 . 1 . 1 2 2 DPR HB2 H 1 1.232 0.003 . 2 . . . . . 2 DPRO HB2 . 50488 2
11 . 1 . 1 2 2 DPR HB3 H 1 2.045 0.003 . 2 . . . . . 2 DPRO HB3 . 50488 2
12 . 1 . 1 2 2 DPR HG2 H 1 1.752 0.002 . 2 . . . . . 2 DPRO HG2 . 50488 2
13 . 1 . 1 2 2 DPR HG3 H 1 1.843 0.002 . 2 . . . . . 2 DPRO HG3 . 50488 2
14 . 1 . 1 2 2 DPR HD2 H 1 3.445 0.003 . 2 . . . . . 2 DPRO HD2 . 50488 2
15 . 1 . 1 2 2 DPR HD3 H 1 3.667 0.002 . 2 . . . . . 2 DPRO HD3 . 50488 2
16 . 1 . 1 2 2 DPR CA C 13 63.423 0.030 . 1 . . . . . 2 DPRO CA . 50488 2
17 . 1 . 1 2 2 DPR CB C 13 32.377 0.052 . 1 . . . . . 2 DPRO CB . 50488 2
18 . 1 . 1 2 2 DPR CG C 13 27.383 0.057 . 1 . . . . . 2 DPRO CG . 50488 2
19 . 1 . 1 2 2 DPR CD C 13 50.761 0.071 . 1 . . . . . 2 DPRO CD . 50488 2
20 . 1 . 1 3 3 PHE H H 1 8.560 0.002 . 1 . . . . . 3 PHE H . 50488 2
21 . 1 . 1 3 3 PHE HA H 1 4.975 0.002 . 1 . . . . . 3 PHE HA . 50488 2
22 . 1 . 1 3 3 PHE HB2 H 1 2.729 0.005 . 2 . . . . . 3 PHE HB2 . 50488 2
23 . 1 . 1 3 3 PHE HB3 H 1 3.287 0.002 . 2 . . . . . 3 PHE HB3 . 50488 2
24 . 1 . 1 3 3 PHE HD1 H 1 7.164 0.003 . 1 . . . . . 3 PHE HD1 . 50488 2
25 . 1 . 1 3 3 PHE HD2 H 1 7.164 0.003 . 1 . . . . . 3 PHE HD2 . 50488 2
26 . 1 . 1 3 3 PHE HE1 H 1 7.324 0.003 . 1 . . . . . 3 PHE HE1 . 50488 2
27 . 1 . 1 3 3 PHE HE2 H 1 7.324 0.003 . 1 . . . . . 3 PHE HE2 . 50488 2
28 . 1 . 1 3 3 PHE HZ H 1 7.285 0.000 . 1 . . . . . 3 PHE HZ . 50488 2
29 . 1 . 1 3 3 PHE CA C 13 56.745 0.000 . 1 . . . . . 3 PHE CA . 50488 2
30 . 1 . 1 3 3 PHE CB C 13 41.152 0.039 . 1 . . . . . 3 PHE CB . 50488 2
31 . 1 . 1 3 3 PHE CD1 C 13 132.015 0.000 . 1 . . . . . 3 PHE CD1 . 50488 2
32 . 1 . 1 3 3 PHE CD2 C 13 132.015 0.000 . 1 . . . . . 3 PHE CD2 . 50488 2
33 . 1 . 1 3 3 PHE CE1 C 13 131.491 0.000 . 1 . . . . . 3 PHE CE1 . 50488 2
34 . 1 . 1 3 3 PHE CE2 C 13 131.491 0.000 . 1 . . . . . 3 PHE CE2 . 50488 2
35 . 1 . 1 3 3 PHE CZ C 13 129.925 0.000 . 1 . . . . . 3 PHE CZ . 50488 2
36 . 1 . 1 4 4 THR H H 1 8.476 0.005 . 1 . . . . . 4 THR H . 50488 2
37 . 1 . 1 4 4 THR HA H 1 4.406 0.000 . 1 . . . . . 4 THR HA . 50488 2
38 . 1 . 1 4 4 THR HB H 1 4.379 0.003 . 1 . . . . . 4 THR HB . 50488 2
39 . 1 . 1 4 4 THR HG21 H 1 1.274 0.002 . 1 . . . . . 4 THR QG2 . 50488 2
40 . 1 . 1 4 4 THR HG22 H 1 1.274 0.002 . 1 . . . . . 4 THR QG2 . 50488 2
41 . 1 . 1 4 4 THR HG23 H 1 1.274 0.002 . 1 . . . . . 4 THR QG2 . 50488 2
42 . 1 . 1 4 4 THR CA C 13 61.847 0.013 . 1 . . . . . 4 THR CA . 50488 2
43 . 1 . 1 4 4 THR CB C 13 70.424 0.015 . 1 . . . . . 4 THR CB . 50488 2
44 . 1 . 1 4 4 THR CG2 C 13 21.785 0.019 . 1 . . . . . 4 THR CG2 . 50488 2
45 . 1 . 1 5 5 ORN H H 1 8.684 0.001 . 1 . . . . . 5 ORN H . 50488 2
46 . 1 . 1 5 5 ORN HA H 1 4.286 0.001 . 1 . . . . . 5 ORN HA . 50488 2
47 . 1 . 1 5 5 ORN HB2 H 1 1.834 0.004 . 2 . . . . . 5 ORN HB2 . 50488 2
48 . 1 . 1 5 5 ORN HB3 H 1 1.876 0.004 . 2 . . . . . 5 ORN HB3 . 50488 2
49 . 1 . 1 5 5 ORN HG2 H 1 1.745 0.000 . 2 . . . . . 5 ORN HG2 . 50488 2
50 . 1 . 1 5 5 ORN HG3 H 1 1.788 0.001 . 2 . . . . . 5 ORN HG3 . 50488 2
51 . 1 . 1 5 5 ORN HD2 H 1 3.026 0.004 . 2 . . . . . 5 ORN HD2 . 50488 2
52 . 1 . 1 5 5 ORN HD3 H 1 3.026 0.004 . 2 . . . . . 5 ORN HD3 . 50488 2
53 . 1 . 1 5 5 ORN HE1 H 1 7.609 0.000 . 2 . . . . . 5 ORN QE . 50488 2
54 . 1 . 1 5 5 ORN HE2 H 1 7.609 0.000 . 2 . . . . . 5 ORN QE . 50488 2
55 . 1 . 1 5 5 ORN CA C 13 57.382 0.017 . 1 . . . . . 5 ORN CA . 50488 2
56 . 1 . 1 5 5 ORN CB C 13 30.524 0.041 . 1 . . . . . 5 ORN CB . 50488 2
57 . 1 . 1 5 5 ORN CG C 13 26.255 0.000 . 1 . . . . . 5 ORN CG . 50488 2
58 . 1 . 1 5 5 ORN CD C 13 41.878 0.000 . 1 . . . . . 5 ORN CD . 50488 2
59 . 1 . 1 6 6 ALA H H 1 8.432 0.000 . 1 . . . . . 6 ALA H . 50488 2
60 . 1 . 1 6 6 ALA HA H 1 4.247 0.001 . 1 . . . . . 6 ALA HA . 50488 2
61 . 1 . 1 6 6 ALA HB1 H 1 1.357 0.001 . 1 . . . . . 6 ALA HB# . 50488 2
62 . 1 . 1 6 6 ALA HB2 H 1 1.357 0.001 . 1 . . . . . 6 ALA HB# . 50488 2
63 . 1 . 1 6 6 ALA HB3 H 1 1.357 0.001 . 1 . . . . . 6 ALA HB# . 50488 2
64 . 1 . 1 6 6 ALA CA C 13 53.531 0.003 . 1 . . . . . 6 ALA CA . 50488 2
65 . 1 . 1 6 6 ALA CB C 13 19.058 0.033 . 1 . . . . . 6 ALA CB . 50488 2
66 . 1 . 1 7 7 GLN H H 1 8.174 0.002 . 1 . . . . . 7 GLN H . 50488 2
67 . 1 . 1 7 7 GLN HA H 1 4.179 0.000 . 1 . . . . . 7 GLN HA . 50488 2
68 . 1 . 1 7 7 GLN HB2 H 1 1.916 0.002 . 2 . . . . . 7 GLN HB2 . 50488 2
69 . 1 . 1 7 7 GLN HB3 H 1 2.065 0.006 . 2 . . . . . 7 GLN HB3 . 50488 2
70 . 1 . 1 7 7 GLN HG2 H 1 2.292 0.002 . 2 . . . . . 7 GLN HG2 . 50488 2
71 . 1 . 1 7 7 GLN HG3 H 1 2.292 0.002 . 2 . . . . . 7 GLN HG3 . 50488 2
72 . 1 . 1 7 7 GLN HE21 H 1 6.889 0.000 . 2 . . . . . 7 GLN HE21 . 50488 2
73 . 1 . 1 7 7 GLN HE22 H 1 7.489 0.001 . 2 . . . . . 7 GLN HE22 . 50488 2
74 . 1 . 1 7 7 GLN CA C 13 56.855 0.008 . 1 . . . . . 7 GLN CA . 50488 2
75 . 1 . 1 7 7 GLN CB C 13 29.524 0.033 . 1 . . . . . 7 GLN CB . 50488 2
76 . 1 . 1 7 7 GLN CG C 13 34.111 0.028 . 1 . . . . . 7 GLN CG . 50488 2
77 . 1 . 1 8 8 TRP H H 1 8.297 0.000 . 1 . . . . . 8 TRP H . 50488 2
78 . 1 . 1 8 8 TRP HA H 1 4.468 0.003 . 1 . . . . . 8 TRP HA . 50488 2
79 . 1 . 1 8 8 TRP HB2 H 1 3.229 0.008 . 2 . . . . . 8 TRP HB2 . 50488 2
80 . 1 . 1 8 8 TRP HB3 H 1 3.229 0.008 . 2 . . . . . 8 TRP HB3 . 50488 2
81 . 1 . 1 8 8 TRP HD1 H 1 7.111 0.000 . 1 . . . . . 8 TRP HD1 . 50488 2
82 . 1 . 1 8 8 TRP HE1 H 1 10.104 0.000 . 1 . . . . . 8 TRP HE1 . 50488 2
83 . 1 . 1 8 8 TRP HE3 H 1 7.424 0.000 . 1 . . . . . 8 TRP HE3 . 50488 2
84 . 1 . 1 8 8 TRP HZ2 H 1 7.467 0.000 . 1 . . . . . 8 TRP HZ2 . 50488 2
85 . 1 . 1 8 8 TRP HZ3 H 1 7.102 0.000 . 1 . . . . . 8 TRP HZ3 . 50488 2
86 . 1 . 1 8 8 TRP HH2 H 1 7.229 0.000 . 1 . . . . . 8 TRP HH2 . 50488 2
87 . 1 . 1 8 8 TRP CA C 13 58.475 0.000 . 1 . . . . . 8 TRP CA . 50488 2
88 . 1 . 1 8 8 TRP CB C 13 29.846 0.042 . 1 . . . . . 8 TRP CB . 50488 2
89 . 1 . 1 8 8 TRP CD1 C 13 127.338 0.000 . 1 . . . . . 8 TRP CD1 . 50488 2
90 . 1 . 1 8 8 TRP CE3 C 13 120.917 0.000 . 1 . . . . . 8 TRP CE3 . 50488 2
91 . 1 . 1 8 8 TRP CZ2 C 13 114.813 0.000 . 1 . . . . . 8 TRP CZ2 . 50488 2
92 . 1 . 1 8 8 TRP CZ3 C 13 122.144 0.000 . 1 . . . . . 8 TRP CZ3 . 50488 2
93 . 1 . 1 8 8 TRP CH2 C 13 124.842 0.000 . 1 . . . . . 8 TRP CH2 . 50488 2
94 . 1 . 1 9 9 PHE H H 1 7.889 0.001 . 1 . . . . . 9 PHE H . 50488 2
95 . 1 . 1 9 9 PHE HA H 1 4.326 0.003 . 1 . . . . . 9 PHE HA . 50488 2
96 . 1 . 1 9 9 PHE HB2 H 1 2.952 0.000 . 2 . . . . . 9 PHE HB2 . 50488 2
97 . 1 . 1 9 9 PHE HB3 H 1 3.018 0.005 . 2 . . . . . 9 PHE HB3 . 50488 2
98 . 1 . 1 9 9 PHE HD1 H 1 7.171 0.003 . 1 . . . . . 9 PHE HD1 . 50488 2
99 . 1 . 1 9 9 PHE HD2 H 1 7.171 0.003 . 1 . . . . . 9 PHE HD2 . 50488 2
100 . 1 . 1 9 9 PHE HE1 H 1 7.292 0.001 . 1 . . . . . 9 PHE HE1 . 50488 2
101 . 1 . 1 9 9 PHE HE2 H 1 7.292 0.001 . 1 . . . . . 9 PHE HE2 . 50488 2
102 . 1 . 1 9 9 PHE HZ H 1 7.223 0.000 . 1 . . . . . 9 PHE HZ . 50488 2
103 . 1 . 1 9 9 PHE CA C 13 58.721 0.010 . 1 . . . . . 9 PHE CA . 50488 2
104 . 1 . 1 9 9 PHE CB C 13 39.687 0.052 . 1 . . . . . 9 PHE CB . 50488 2
105 . 1 . 1 9 9 PHE CD1 C 13 132.015 0.000 . 1 . . . . . 9 PHE CD1 . 50488 2
106 . 1 . 1 9 9 PHE CD2 C 13 132.015 0.000 . 1 . . . . . 9 PHE CD2 . 50488 2
107 . 1 . 1 9 9 PHE CE1 C 13 131.484 0.000 . 1 . . . . . 9 PHE CE1 . 50488 2
108 . 1 . 1 9 9 PHE CE2 C 13 131.484 0.000 . 1 . . . . . 9 PHE CE2 . 50488 2
109 . 1 . 1 9 9 PHE CZ C 13 129.941 0.000 . 1 . . . . . 9 PHE CZ . 50488 2
110 . 1 . 1 10 10 ALA H H 1 7.874 0.001 . 1 . . . . . 10 ALA H . 50488 2
111 . 1 . 1 10 10 ALA HA H 1 4.137 0.002 . 1 . . . . . 10 ALA HA . 50488 2
112 . 1 . 1 10 10 ALA HB1 H 1 1.382 0.001 . 1 . . . . . 10 ALA HB# . 50488 2
113 . 1 . 1 10 10 ALA HB2 H 1 1.382 0.001 . 1 . . . . . 10 ALA HB# . 50488 2
114 . 1 . 1 10 10 ALA HB3 H 1 1.382 0.001 . 1 . . . . . 10 ALA HB# . 50488 2
115 . 1 . 1 10 10 ALA CA C 13 53.285 0.006 . 1 . . . . . 10 ALA CA . 50488 2
116 . 1 . 1 10 10 ALA CB C 13 18.971 0.055 . 1 . . . . . 10 ALA CB . 50488 2
117 . 1 . 1 11 11 ILE H H 1 7.863 0.000 . 1 . . . . . 11 ILE H . 50488 2
118 . 1 . 1 11 11 ILE HA H 1 3.949 0.001 . 1 . . . . . 11 ILE HA . 50488 2
119 . 1 . 1 11 11 ILE HB H 1 1.751 0.002 . 1 . . . . . 11 ILE HB . 50488 2
120 . 1 . 1 11 11 ILE HG12 H 1 1.097 0.004 . 2 . . . . . 11 ILE HG12 . 50488 2
121 . 1 . 1 11 11 ILE HG13 H 1 1.413 0.006 . 2 . . . . . 11 ILE HG13 . 50488 2
122 . 1 . 1 11 11 ILE HG21 H 1 0.774 0.001 . 1 . . . . . 11 ILE QG2 . 50488 2
123 . 1 . 1 11 11 ILE HG22 H 1 0.774 0.001 . 1 . . . . . 11 ILE QG2 . 50488 2
124 . 1 . 1 11 11 ILE HG23 H 1 0.774 0.001 . 1 . . . . . 11 ILE QG2 . 50488 2
125 . 1 . 1 11 11 ILE HD11 H 1 0.678 0.002 . 1 . . . . . 11 ILE QD1 . 50488 2
126 . 1 . 1 11 11 ILE HD12 H 1 0.678 0.002 . 1 . . . . . 11 ILE QD1 . 50488 2
127 . 1 . 1 11 11 ILE HD13 H 1 0.678 0.002 . 1 . . . . . 11 ILE QD1 . 50488 2
128 . 1 . 1 11 11 ILE CA C 13 62.049 0.000 . 1 . . . . . 11 ILE CA . 50488 2
129 . 1 . 1 11 11 ILE CB C 13 38.749 0.048 . 1 . . . . . 11 ILE CB . 50488 2
130 . 1 . 1 11 11 ILE CG1 C 13 27.982 0.064 . 1 . . . . . 11 ILE CG1 . 50488 2
131 . 1 . 1 11 11 ILE CG2 C 13 17.445 0.058 . 1 . . . . . 11 ILE CG2 . 50488 2
132 . 1 . 1 11 11 ILE CD1 C 13 13.131 0.057 . 1 . . . . . 11 ILE CD1 . 50488 2
133 . 1 . 1 12 12 GLN H H 1 8.085 0.001 . 1 . . . . . 12 GLN H . 50488 2
134 . 1 . 1 12 12 GLN HA H 1 4.141 0.003 . 1 . . . . . 12 GLN HA . 50488 2
135 . 1 . 1 12 12 GLN HB2 H 1 1.797 0.001 . 2 . . . . . 12 GLN HB2 . 50488 2
136 . 1 . 1 12 12 GLN HB3 H 1 1.894 0.001 . 2 . . . . . 12 GLN HB3 . 50488 2
137 . 1 . 1 12 12 GLN HG2 H 1 2.127 0.004 . 2 . . . . . 12 GLN HG2 . 50488 2
138 . 1 . 1 12 12 GLN HG3 H 1 2.127 0.004 . 2 . . . . . 12 GLN HG3 . 50488 2
139 . 1 . 1 12 12 GLN HE21 H 1 6.726 0.000 . 2 . . . . . 12 GLN HE21 . 50488 2
140 . 1 . 1 12 12 GLN HE22 H 1 7.149 0.000 . 2 . . . . . 12 GLN HE22 . 50488 2
141 . 1 . 1 12 12 GLN CA C 13 55.973 0.022 . 1 . . . . . 12 GLN CA . 50488 2
142 . 1 . 1 12 12 GLN CB C 13 29.504 0.036 . 1 . . . . . 12 GLN CB . 50488 2
143 . 1 . 1 12 12 GLN CG C 13 33.777 0.025 . 1 . . . . . 12 GLN CG . 50488 2
144 . 1 . 1 13 13 HIS H H 1 8.298 0.003 . 1 . . . . . 13 HIS H . 50488 2
145 . 1 . 1 13 13 HIS HA H 1 4.620 0.003 . 1 . . . . . 13 HIS HA . 50488 2
146 . 1 . 1 13 13 HIS HB2 H 1 3.018 0.003 . 2 . . . . . 13 HIS HB2 . 50488 2
147 . 1 . 1 13 13 HIS HB3 H 1 3.210 0.007 . 2 . . . . . 13 HIS HB3 . 50488 2
148 . 1 . 1 13 13 HIS HD2 H 1 7.173 0.001 . 1 . . . . . 13 HIS HD2 . 50488 2
149 . 1 . 1 13 13 HIS HE1 H 1 8.457 0.001 . 1 . . . . . 13 HIS HE1 . 50488 2
150 . 1 . 1 13 13 HIS CA C 13 55.557 0.000 . 1 . . . . . 13 HIS CA . 50488 2
151 . 1 . 1 13 13 HIS CB C 13 28.846 0.111 . 1 . . . . . 13 HIS CB . 50488 2
152 . 1 . 1 13 13 HIS CD2 C 13 120.122 0.000 . 1 . . . . . 13 HIS CD2 . 50488 2
153 . 1 . 1 13 13 HIS CE1 C 13 136.247 0.000 . 1 . . . . . 13 HIS CE1 . 50488 2
154 . 1 . 1 14 14 ILE H H 1 8.098 0.003 . 1 . . . . . 14 ILE H . 50488 2
155 . 1 . 1 14 14 ILE HA H 1 4.187 0.003 . 1 . . . . . 14 ILE HA . 50488 2
156 . 1 . 1 14 14 ILE HB H 1 1.799 0.002 . 1 . . . . . 14 ILE HB . 50488 2
157 . 1 . 1 14 14 ILE HG12 H 1 1.135 0.002 . 2 . . . . . 14 ILE HG12 . 50488 2
158 . 1 . 1 14 14 ILE HG13 H 1 1.442 0.004 . 2 . . . . . 14 ILE HG13 . 50488 2
159 . 1 . 1 14 14 ILE HG21 H 1 0.865 0.001 . 1 . . . . . 14 ILE QG2 . 50488 2
160 . 1 . 1 14 14 ILE HG22 H 1 0.865 0.001 . 1 . . . . . 14 ILE QG2 . 50488 2
161 . 1 . 1 14 14 ILE HG23 H 1 0.865 0.001 . 1 . . . . . 14 ILE QG2 . 50488 2
162 . 1 . 1 14 14 ILE HD11 H 1 0.830 0.002 . 1 . . . . . 14 ILE QD1 . 50488 2
163 . 1 . 1 14 14 ILE HD12 H 1 0.830 0.002 . 1 . . . . . 14 ILE QD1 . 50488 2
164 . 1 . 1 14 14 ILE HD13 H 1 0.830 0.002 . 1 . . . . . 14 ILE QD1 . 50488 2
165 . 1 . 1 14 14 ILE CA C 13 61.023 0.018 . 1 . . . . . 14 ILE CA . 50488 2
166 . 1 . 1 14 14 ILE CB C 13 39.043 0.043 . 1 . . . . . 14 ILE CB . 50488 2
167 . 1 . 1 14 14 ILE CG1 C 13 27.410 0.042 . 1 . . . . . 14 ILE CG1 . 50488 2
168 . 1 . 1 14 14 ILE CG2 C 13 17.517 0.081 . 1 . . . . . 14 ILE CG2 . 50488 2
169 . 1 . 1 14 14 ILE CD1 C 13 12.956 0.072 . 1 . . . . . 14 ILE CD1 . 50488 2
170 . 1 . 1 15 15 SER H H 1 8.530 0.000 . 1 . . . . . 15 SER H . 50488 2
171 . 1 . 1 15 15 SER HA H 1 4.767 0.000 . 1 . . . . . 15 SER HA . 50488 2
172 . 1 . 1 15 15 SER HB2 H 1 3.834 0.002 . 2 . . . . . 15 SER HB2 . 50488 2
173 . 1 . 1 15 15 SER HB3 H 1 3.882 0.005 . 2 . . . . . 15 SER HB3 . 50488 2
174 . 1 . 1 15 15 SER CA C 13 56.471 0.000 . 1 . . . . . 15 SER CA . 50488 2
175 . 1 . 1 15 15 SER CB C 13 63.445 0.007 . 1 . . . . . 15 SER CB . 50488 2
176 . 1 . 1 16 16 PRO HA H 1 4.427 0.001 . 1 . . . . . 16 PRO HA . 50488 2
177 . 1 . 1 16 16 PRO HB2 H 1 1.928 0.004 . 2 . . . . . 16 PRO HB2 . 50488 2
178 . 1 . 1 16 16 PRO HB3 H 1 2.309 0.002 . 2 . . . . . 16 PRO HB3 . 50488 2
179 . 1 . 1 16 16 PRO HG2 H 1 2.026 0.004 . 2 . . . . . 16 PRO HG2 . 50488 2
180 . 1 . 1 16 16 PRO HG3 H 1 2.026 0.004 . 2 . . . . . 16 PRO HG3 . 50488 2
181 . 1 . 1 16 16 PRO HD2 H 1 3.751 0.001 . 2 . . . . . 16 PRO HD2 . 50488 2
182 . 1 . 1 16 16 PRO HD3 H 1 3.856 0.002 . 2 . . . . . 16 PRO HD3 . 50488 2
183 . 1 . 1 16 16 PRO CA C 13 63.498 0.051 . 1 . . . . . 16 PRO CA . 50488 2
184 . 1 . 1 16 16 PRO CB C 13 32.338 0.053 . 1 . . . . . 16 PRO CB . 50488 2
185 . 1 . 1 16 16 PRO CG C 13 27.505 0.062 . 1 . . . . . 16 PRO CG . 50488 2
186 . 1 . 1 16 16 PRO CD C 13 51.056 0.058 . 1 . . . . . 16 PRO CD . 50488 2
187 . 1 . 1 17 17 ORN H H 1 8.445 0.000 . 1 . . . . . 17 ORN H . 50488 2
188 . 1 . 1 17 17 ORN HA H 1 4.376 0.001 . 1 . . . . . 17 ORN HA . 50488 2
189 . 1 . 1 17 17 ORN HB2 H 1 1.786 0.007 . 2 . . . . . 17 ORN HB2 . 50488 2
190 . 1 . 1 17 17 ORN HB3 H 1 1.890 0.000 . 2 . . . . . 17 ORN HB3 . 50488 2
191 . 1 . 1 17 17 ORN HG2 H 1 1.757 0.001 . 2 . . . . . 17 ORN HG2 . 50488 2
192 . 1 . 1 17 17 ORN HG3 H 1 1.757 0.001 . 2 . . . . . 17 ORN HG3 . 50488 2
193 . 1 . 1 17 17 ORN HD2 H 1 3.029 0.000 . 2 . . . . . 17 ORN HD2 . 50488 2
194 . 1 . 1 17 17 ORN HD3 H 1 3.029 0.000 . 2 . . . . . 17 ORN HD3 . 50488 2
195 . 1 . 1 17 17 ORN CA C 13 56.178 0.026 . 1 . . . . . 17 ORN CA . 50488 2
196 . 1 . 1 17 17 ORN CB C 13 30.673 0.000 . 1 . . . . . 17 ORN CB . 50488 2
197 . 1 . 1 17 17 ORN CG C 13 26.255 0.000 . 1 . . . . . 17 ORN CG . 50488 2
198 . 1 . 1 18 18 THR H H 1 8.137 0.000 . 1 . . . . . 18 THR H . 50488 2
199 . 1 . 1 18 18 THR HA H 1 4.316 0.001 . 1 . . . . . 18 THR HA . 50488 2
200 . 1 . 1 18 18 THR HB H 1 4.169 0.003 . 1 . . . . . 18 THR HB . 50488 2
201 . 1 . 1 18 18 THR HG21 H 1 1.190 0.002 . 1 . . . . . 18 THR QG2 . 50488 2
202 . 1 . 1 18 18 THR HG22 H 1 1.190 0.002 . 1 . . . . . 18 THR QG2 . 50488 2
203 . 1 . 1 18 18 THR HG23 H 1 1.190 0.002 . 1 . . . . . 18 THR QG2 . 50488 2
204 . 1 . 1 18 18 THR CA C 13 62.178 0.011 . 1 . . . . . 18 THR CA . 50488 2
205 . 1 . 1 18 18 THR CB C 13 70.020 0.020 . 1 . . . . . 18 THR CB . 50488 2
206 . 1 . 1 18 18 THR CG2 C 13 21.790 0.023 . 1 . . . . . 18 THR CG2 . 50488 2
207 . 1 . 1 19 19 ILE H H 1 8.208 0.002 . 1 . . . . . 19 ILE H . 50488 2
208 . 1 . 1 19 19 ILE HA H 1 4.140 0.002 . 1 . . . . . 19 ILE HA . 50488 2
209 . 1 . 1 19 19 ILE HB H 1 1.843 0.004 . 1 . . . . . 19 ILE HB . 50488 2
210 . 1 . 1 19 19 ILE HG12 H 1 1.173 0.004 . 2 . . . . . 19 ILE HG12 . 50488 2
211 . 1 . 1 19 19 ILE HG13 H 1 1.468 0.002 . 2 . . . . . 19 ILE HG13 . 50488 2
212 . 1 . 1 19 19 ILE HG21 H 1 0.906 0.003 . 1 . . . . . 19 ILE QG2 . 50488 2
213 . 1 . 1 19 19 ILE HG22 H 1 0.906 0.003 . 1 . . . . . 19 ILE QG2 . 50488 2
214 . 1 . 1 19 19 ILE HG23 H 1 0.906 0.003 . 1 . . . . . 19 ILE QG2 . 50488 2
215 . 1 . 1 19 19 ILE HD11 H 1 0.856 0.002 . 1 . . . . . 19 ILE QD1 . 50488 2
216 . 1 . 1 19 19 ILE HD12 H 1 0.856 0.002 . 1 . . . . . 19 ILE QD1 . 50488 2
217 . 1 . 1 19 19 ILE HD13 H 1 0.856 0.002 . 1 . . . . . 19 ILE QD1 . 50488 2
218 . 1 . 1 19 19 ILE CA C 13 61.258 0.037 . 1 . . . . . 19 ILE CA . 50488 2
219 . 1 . 1 19 19 ILE CB C 13 39.007 0.052 . 1 . . . . . 19 ILE CB . 50488 2
220 . 1 . 1 19 19 ILE CG1 C 13 27.441 0.061 . 1 . . . . . 19 ILE CG1 . 50488 2
221 . 1 . 1 19 19 ILE CG2 C 13 17.553 0.045 . 1 . . . . . 19 ILE CG2 . 50488 2
222 . 1 . 1 19 19 ILE CD1 C 13 13.039 0.043 . 1 . . . . . 19 ILE CD1 . 50488 2
223 . 1 . 1 20 20 ALA H H 1 8.335 0.001 . 1 . . . . . 20 ALA H . 50488 2
224 . 1 . 1 20 20 ALA HA H 1 4.316 0.002 . 1 . . . . . 20 ALA HA . 50488 2
225 . 1 . 1 20 20 ALA HB1 H 1 1.372 0.003 . 1 . . . . . 20 ALA HB# . 50488 2
226 . 1 . 1 20 20 ALA HB2 H 1 1.372 0.003 . 1 . . . . . 20 ALA HB# . 50488 2
227 . 1 . 1 20 20 ALA HB3 H 1 1.372 0.003 . 1 . . . . . 20 ALA HB# . 50488 2
228 . 1 . 1 20 20 ALA CA C 13 52.550 0.002 . 1 . . . . . 20 ALA CA . 50488 2
229 . 1 . 1 20 20 ALA CB C 13 19.279 0.058 . 1 . . . . . 20 ALA CB . 50488 2
230 . 1 . 1 21 21 MET H H 1 8.310 0.002 . 1 . . . . . 21 MET H . 50488 2
231 . 1 . 1 21 21 MET HA H 1 4.420 0.003 . 1 . . . . . 21 MET HA . 50488 2
232 . 1 . 1 21 21 MET HB2 H 1 2.007 0.005 . 2 . . . . . 21 MET HB2 . 50488 2
233 . 1 . 1 21 21 MET HB3 H 1 2.054 0.003 . 2 . . . . . 21 MET HB3 . 50488 2
234 . 1 . 1 21 21 MET HG2 H 1 2.558 0.007 . 2 . . . . . 21 MET HG2 . 50488 2
235 . 1 . 1 21 21 MET HG3 H 1 2.608 0.001 . 2 . . . . . 21 MET HG3 . 50488 2
236 . 1 . 1 21 21 MET HE1 H 1 2.094 0.001 . 1 . . . . . 21 MET HE# . 50488 2
237 . 1 . 1 21 21 MET HE2 H 1 2.094 0.001 . 1 . . . . . 21 MET HE# . 50488 2
238 . 1 . 1 21 21 MET HE3 H 1 2.094 0.001 . 1 . . . . . 21 MET HE# . 50488 2
239 . 1 . 1 21 21 MET CA C 13 55.659 0.025 . 1 . . . . . 21 MET CA . 50488 2
240 . 1 . 1 21 21 MET CB C 13 33.211 0.028 . 1 . . . . . 21 MET CB . 50488 2
241 . 1 . 1 21 21 MET CG C 13 32.111 0.056 . 1 . . . . . 21 MET CG . 50488 2
242 . 1 . 1 21 21 MET CE C 13 17.106 0.041 . 1 . . . . . 21 MET CE . 50488 2
243 . 1 . 1 22 22 ORN H H 1 8.357 0.001 . 1 . . . . . 22 ORN H . 50488 2
244 . 1 . 1 22 22 ORN HA H 1 4.323 0.004 . 1 . . . . . 22 ORN HA . 50488 2
245 . 1 . 1 22 22 ORN HB2 H 1 1.758 0.000 . 2 . . . . . 22 ORN HB2 . 50488 2
246 . 1 . 1 22 22 ORN HB3 H 1 1.860 0.004 . 2 . . . . . 22 ORN HB3 . 50488 2
247 . 1 . 1 22 22 ORN HG2 H 1 1.731 0.001 . 2 . . . . . 22 ORN HG2 . 50488 2
248 . 1 . 1 22 22 ORN HG3 H 1 1.731 0.001 . 2 . . . . . 22 ORN HG3 . 50488 2
249 . 1 . 1 22 22 ORN HD2 H 1 3.020 0.000 . 2 . . . . . 22 ORN HD2 . 50488 2
250 . 1 . 1 22 22 ORN HD3 H 1 3.020 0.000 . 2 . . . . . 22 ORN HD3 . 50488 2
251 . 1 . 1 22 22 ORN CA C 13 55.986 0.006 . 1 . . . . . 22 ORN CA . 50488 2
252 . 1 . 1 22 22 ORN CB C 13 30.765 0.064 . 1 . . . . . 22 ORN CB . 50488 2
253 . 1 . 1 22 22 ORN CG C 13 26.201 0.000 . 1 . . . . . 22 ORN CG . 50488 2
254 . 1 . 1 23 23 ALA H H 1 8.335 0.001 . 1 . . . . . 23 ALA H . 50488 2
255 . 1 . 1 23 23 ALA HA H 1 4.315 0.001 . 1 . . . . . 23 ALA HA . 50488 2
256 . 1 . 1 23 23 ALA HB1 H 1 1.372 0.003 . 1 . . . . . 23 ALA HB# . 50488 2
257 . 1 . 1 23 23 ALA HB2 H 1 1.372 0.003 . 1 . . . . . 23 ALA HB# . 50488 2
258 . 1 . 1 23 23 ALA HB3 H 1 1.372 0.003 . 1 . . . . . 23 ALA HB# . 50488 2
259 . 1 . 1 23 23 ALA CA C 13 52.567 0.015 . 1 . . . . . 23 ALA CA . 50488 2
260 . 1 . 1 23 23 ALA CB C 13 19.279 0.058 . 1 . . . . . 23 ALA CB . 50488 2
261 . 1 . 1 24 24 ILE H H 1 8.157 0.000 . 1 . . . . . 24 ILE H . 50488 2
262 . 1 . 1 24 24 ILE HA H 1 4.121 0.002 . 1 . . . . . 24 ILE HA . 50488 2
263 . 1 . 1 24 24 ILE HB H 1 1.835 0.005 . 1 . . . . . 24 ILE HB . 50488 2
264 . 1 . 1 24 24 ILE HG12 H 1 1.172 0.004 . 2 . . . . . 24 ILE HG12 . 50488 2
265 . 1 . 1 24 24 ILE HG13 H 1 1.468 0.002 . 2 . . . . . 24 ILE HG13 . 50488 2
266 . 1 . 1 24 24 ILE HG21 H 1 0.883 0.002 . 1 . . . . . 24 ILE QG2 . 50488 2
267 . 1 . 1 24 24 ILE HG22 H 1 0.883 0.002 . 1 . . . . . 24 ILE QG2 . 50488 2
268 . 1 . 1 24 24 ILE HG23 H 1 0.883 0.002 . 1 . . . . . 24 ILE QG2 . 50488 2
269 . 1 . 1 24 24 ILE HD11 H 1 0.855 0.002 . 1 . . . . . 24 ILE QD1 . 50488 2
270 . 1 . 1 24 24 ILE HD12 H 1 0.855 0.002 . 1 . . . . . 24 ILE QD1 . 50488 2
271 . 1 . 1 24 24 ILE HD13 H 1 0.855 0.002 . 1 . . . . . 24 ILE QD1 . 50488 2
272 . 1 . 1 24 24 ILE CA C 13 61.258 0.037 . 1 . . . . . 24 ILE CA . 50488 2
273 . 1 . 1 24 24 ILE CB C 13 39.005 0.053 . 1 . . . . . 24 ILE CB . 50488 2
274 . 1 . 1 24 24 ILE CG1 C 13 27.441 0.061 . 1 . . . . . 24 ILE CG1 . 50488 2
275 . 1 . 1 24 24 ILE CG2 C 13 17.622 0.031 . 1 . . . . . 24 ILE CG2 . 50488 2
276 . 1 . 1 24 24 ILE CD1 C 13 13.036 0.046 . 1 . . . . . 24 ILE CD1 . 50488 2
277 . 1 . 1 25 25 ASN H H 1 8.447 0.001 . 1 . . . . . 25 ASN H . 50488 2
278 . 1 . 1 25 25 ASN HA H 1 4.672 0.001 . 1 . . . . . 25 ASN HA . 50488 2
279 . 1 . 1 25 25 ASN HB2 H 1 2.683 0.004 . 2 . . . . . 25 ASN HB2 . 50488 2
280 . 1 . 1 25 25 ASN HB3 H 1 2.724 0.003 . 2 . . . . . 25 ASN HB3 . 50488 2
281 . 1 . 1 25 25 ASN HD21 H 1 6.890 0.000 . 2 . . . . . 25 ASN HD21 . 50488 2
282 . 1 . 1 25 25 ASN HD22 H 1 7.551 0.000 . 2 . . . . . 25 ASN HD22 . 50488 2
283 . 1 . 1 25 25 ASN CA C 13 53.183 0.000 . 1 . . . . . 25 ASN CA . 50488 2
284 . 1 . 1 25 25 ASN CB C 13 39.041 0.037 . 1 . . . . . 25 ASN CB . 50488 2
285 . 1 . 1 26 26 ASN H H 1 8.347 0.001 . 1 . . . . . 26 ASN H . 50488 2
286 . 1 . 1 26 26 ASN HA H 1 4.671 0.002 . 1 . . . . . 26 ASN HA . 50488 2
287 . 1 . 1 26 26 ASN HB2 H 1 2.671 0.006 . 2 . . . . . 26 ASN HB2 . 50488 2
288 . 1 . 1 26 26 ASN HB3 H 1 2.741 0.003 . 2 . . . . . 26 ASN HB3 . 50488 2
289 . 1 . 1 26 26 ASN HD21 H 1 6.841 0.000 . 2 . . . . . 26 ASN HD21 . 50488 2
290 . 1 . 1 26 26 ASN HD22 H 1 7.516 0.000 . 2 . . . . . 26 ASN HD22 . 50488 2
291 . 1 . 1 26 26 ASN CA C 13 53.183 0.000 . 1 . . . . . 26 ASN CA . 50488 2
292 . 1 . 1 26 26 ASN CB C 13 38.859 0.025 . 1 . . . . . 26 ASN CB . 50488 2
293 . 1 . 1 27 27 TYR H H 1 8.108 0.001 . 1 . . . . . 27 TYR H . 50488 2
294 . 1 . 1 27 27 TYR HA H 1 4.448 0.003 . 1 . . . . . 27 TYR HA . 50488 2
295 . 1 . 1 27 27 TYR HB2 H 1 2.900 0.002 . 2 . . . . . 27 TYR HB2 . 50488 2
296 . 1 . 1 27 27 TYR HB3 H 1 2.900 0.002 . 2 . . . . . 27 TYR HB3 . 50488 2
297 . 1 . 1 27 27 TYR HD1 H 1 7.032 0.001 . 1 . . . . . 27 TYR HD1 . 50488 2
298 . 1 . 1 27 27 TYR HD2 H 1 7.032 0.001 . 1 . . . . . 27 TYR HD2 . 50488 2
299 . 1 . 1 27 27 TYR HE1 H 1 6.793 0.002 . 1 . . . . . 27 TYR HE1 . 50488 2
300 . 1 . 1 27 27 TYR HE2 H 1 6.793 0.002 . 1 . . . . . 27 TYR HE2 . 50488 2
301 . 1 . 1 27 27 TYR CA C 13 58.380 0.007 . 1 . . . . . 27 TYR CA . 50488 2
302 . 1 . 1 27 27 TYR CB C 13 38.617 0.040 . 1 . . . . . 27 TYR CB . 50488 2
303 . 1 . 1 27 27 TYR CD1 C 13 133.264 0.000 . 1 . . . . . 27 TYR CD1 . 50488 2
304 . 1 . 1 27 27 TYR CD2 C 13 133.264 0.000 . 1 . . . . . 27 TYR CD2 . 50488 2
305 . 1 . 1 27 27 TYR CE1 C 13 118.341 0.000 . 1 . . . . . 27 TYR CE1 . 50488 2
306 . 1 . 1 27 27 TYR CE2 C 13 118.341 0.000 . 1 . . . . . 27 TYR CE2 . 50488 2
307 . 1 . 1 28 28 ORN H H 1 8.084 0.001 . 1 . . . . . 28 ORN H . 50488 2
308 . 1 . 1 28 28 ORN HA H 1 4.255 0.004 . 1 . . . . . 28 ORN HA . 50488 2
309 . 1 . 1 28 28 ORN HB2 H 1 1.636 0.003 . 2 . . . . . 28 ORN HB2 . 50488 2
310 . 1 . 1 28 28 ORN HB3 H 1 1.730 0.001 . 2 . . . . . 28 ORN HB3 . 50488 2
311 . 1 . 1 28 28 ORN HG2 H 1 1.575 0.003 . 2 . . . . . 28 ORN HG2 . 50488 2
312 . 1 . 1 28 28 ORN HG3 H 1 1.575 0.003 . 2 . . . . . 28 ORN HG3 . 50488 2
313 . 1 . 1 28 28 ORN HD2 H 1 2.953 0.004 . 2 . . . . . 28 ORN HD2 . 50488 2
314 . 1 . 1 28 28 ORN HD3 H 1 2.953 0.004 . 2 . . . . . 28 ORN HD3 . 50488 2
315 . 1 . 1 28 28 ORN HE1 H 1 7.550 0.000 . 2 . . . . . 28 ORN QE . 50488 2
316 . 1 . 1 28 28 ORN HE2 H 1 7.550 0.000 . 2 . . . . . 28 ORN QE . 50488 2
317 . 1 . 1 28 28 ORN CA C 13 55.745 0.008 . 1 . . . . . 28 ORN CA . 50488 2
318 . 1 . 1 28 28 ORN CB C 13 30.603 0.040 . 1 . . . . . 28 ORN CB . 50488 2
319 . 1 . 1 28 28 ORN CG C 13 26.041 0.000 . 1 . . . . . 28 ORN CG . 50488 2
320 . 1 . 1 28 28 ORN CD C 13 41.875 0.000 . 1 . . . . . 28 ORN CD . 50488 2
321 . 1 . 1 29 29 TRP H H 1 8.079 0.000 . 1 . . . . . 29 TRP H . 50488 2
322 . 1 . 1 29 29 TRP HA H 1 4.552 0.002 . 1 . . . . . 29 TRP HA . 50488 2
323 . 1 . 1 29 29 TRP HB2 H 1 3.265 0.002 . 2 . . . . . 29 TRP HB2 . 50488 2
324 . 1 . 1 29 29 TRP HB3 H 1 3.265 0.002 . 2 . . . . . 29 TRP HB3 . 50488 2
325 . 1 . 1 29 29 TRP HD1 H 1 7.273 0.001 . 1 . . . . . 29 TRP HD1 . 50488 2
326 . 1 . 1 29 29 TRP HE1 H 1 10.155 0.000 . 1 . . . . . 29 TRP HE1 . 50488 2
327 . 1 . 1 29 29 TRP HE3 H 1 7.646 0.000 . 1 . . . . . 29 TRP HE3 . 50488 2
328 . 1 . 1 29 29 TRP HZ2 H 1 7.467 0.000 . 1 . . . . . 29 TRP HZ2 . 50488 2
329 . 1 . 1 29 29 TRP HZ3 H 1 7.168 0.000 . 1 . . . . . 29 TRP HZ3 . 50488 2
330 . 1 . 1 29 29 TRP HH2 H 1 7.229 0.000 . 1 . . . . . 29 TRP HH2 . 50488 2
331 . 1 . 1 29 29 TRP CA C 13 57.782 0.000 . 1 . . . . . 29 TRP CA . 50488 2
332 . 1 . 1 29 29 TRP CB C 13 29.660 0.034 . 1 . . . . . 29 TRP CB . 50488 2
333 . 1 . 1 29 29 TRP CD1 C 13 127.503 0.000 . 1 . . . . . 29 TRP CD1 . 50488 2
334 . 1 . 1 29 29 TRP CE3 C 13 121.158 0.000 . 1 . . . . . 29 TRP CE3 . 50488 2
335 . 1 . 1 29 29 TRP CZ2 C 13 114.813 0.000 . 1 . . . . . 29 TRP CZ2 . 50488 2
336 . 1 . 1 29 29 TRP CZ3 C 13 122.299 0.000 . 1 . . . . . 29 TRP CZ3 . 50488 2
337 . 1 . 1 29 29 TRP CH2 C 13 124.842 0.000 . 1 . . . . . 29 TRP CH2 . 50488 2
338 . 1 . 1 30 30 ORN H H 1 8.063 0.001 . 1 . . . . . 30 ORN H . 50488 2
339 . 1 . 1 30 30 ORN HA H 1 4.155 0.003 . 1 . . . . . 30 ORN HA . 50488 2
340 . 1 . 1 30 30 ORN HB2 H 1 1.565 0.003 . 2 . . . . . 30 ORN HB2 . 50488 2
341 . 1 . 1 30 30 ORN HB3 H 1 1.757 0.002 . 2 . . . . . 30 ORN HB3 . 50488 2
342 . 1 . 1 30 30 ORN HG2 H 1 1.550 0.001 . 2 . . . . . 30 ORN HG2 . 50488 2
343 . 1 . 1 30 30 ORN HG3 H 1 1.550 0.001 . 2 . . . . . 30 ORN HG3 . 50488 2
344 . 1 . 1 30 30 ORN HD2 H 1 2.925 0.003 . 2 . . . . . 30 ORN HD2 . 50488 2
345 . 1 . 1 30 30 ORN HD3 H 1 2.925 0.003 . 2 . . . . . 30 ORN HD3 . 50488 2
346 . 1 . 1 30 30 ORN HE1 H 1 7.528 0.000 . 2 . . . . . 30 ORN QE . 50488 2
347 . 1 . 1 30 30 ORN HE2 H 1 7.528 0.000 . 2 . . . . . 30 ORN QE . 50488 2
348 . 1 . 1 30 30 ORN CA C 13 55.613 0.001 . 1 . . . . . 30 ORN CA . 50488 2
349 . 1 . 1 30 30 ORN CB C 13 30.779 0.044 . 1 . . . . . 30 ORN CB . 50488 2
350 . 1 . 1 30 30 ORN CG C 13 25.974 0.000 . 1 . . . . . 30 ORN CG . 50488 2
351 . 1 . 1 30 30 ORN CD C 13 41.877 0.000 . 1 . . . . . 30 ORN CD . 50488 2
352 . 1 . 1 31 31 NH2 HN1 H 1 6.814 0.001 . 2 . . . . . 31 NH2 HN1 . 50488 2
353 . 1 . 1 31 31 NH2 HN2 H 1 6.881 0.000 . 2 . . . . . 31 NH2 HN2 . 50488 2
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