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 50487
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name Orn-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' . . . 50487 2
13 '2D 1H-1H TOCSY' . . . 50487 2
14 '2D 1H-1H NOESY' . . . 50487 2
15 '2D 1H-13C HSQC aliphatic' . . . 50487 2
16 '2D 1H-13C HSQC aromatic' . . . 50487 2
18 '2D 1H-1H TOCSY' . . . 50487 2
19 '2D 1H-13C HSQC aliphatic' . . . 50487 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 . . 50487 2
2 $software_2 . . 50487 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 ORN HA H 1 4.387 0.005 . 1 . . . . . 1 ORN HA . 50487 2
2 . 1 . 1 1 1 ORN HB2 H 1 1.955 0.002 . 2 . . . . . 1 ORN HB2 . 50487 2
3 . 1 . 1 1 1 ORN HB3 H 1 1.955 0.002 . 2 . . . . . 1 ORN HB3 . 50487 2
4 . 1 . 1 1 1 ORN HG2 H 1 1.784 0.006 . 2 . . . . . 1 ORN HG2 . 50487 2
5 . 1 . 1 1 1 ORN HG3 H 1 1.784 0.006 . 2 . . . . . 1 ORN HG3 . 50487 2
6 . 1 . 1 1 1 ORN HD2 H 1 3.036 0.007 . 2 . . . . . 1 ORN HD2 . 50487 2
7 . 1 . 1 1 1 ORN HD3 H 1 3.036 0.007 . 2 . . . . . 1 ORN HD3 . 50487 2
8 . 1 . 1 1 1 ORN CA C 13 53.979 0.107 . 1 . . . . . 1 ORN CA . 50487 2
9 . 1 . 1 1 1 ORN CB C 13 29.733 0.000 . 1 . . . . . 1 ORN CB . 50487 2
10 . 1 . 1 1 1 ORN CG C 13 24.850 0.000 . 1 . . . . . 1 ORN CG . 50487 2
11 . 1 . 1 1 1 ORN CD C 13 41.775 0.000 . 1 . . . . . 1 ORN CD . 50487 2
12 . 1 . 1 2 2 PRO HA H 1 4.476 0.003 . 1 . . . . . 2 PRO HA . 50487 2
13 . 1 . 1 2 2 PRO HB2 H 1 1.836 0.003 . 2 . . . . . 2 PRO HB2 . 50487 2
14 . 1 . 1 2 2 PRO HB3 H 1 2.293 0.003 . 2 . . . . . 2 PRO HB3 . 50487 2
15 . 1 . 1 2 2 PRO HG2 H 1 1.993 0.003 . 2 . . . . . 2 PRO HG2 . 50487 2
16 . 1 . 1 2 2 PRO HG3 H 1 1.993 0.003 . 2 . . . . . 2 PRO HG3 . 50487 2
17 . 1 . 1 2 2 PRO HD2 H 1 3.582 0.004 . 2 . . . . . 2 PRO HD2 . 50487 2
18 . 1 . 1 2 2 PRO HD3 H 1 3.733 0.004 . 2 . . . . . 2 PRO HD3 . 50487 2
19 . 1 . 1 2 2 PRO CA C 13 63.070 0.033 . 1 . . . . . 2 PRO CA . 50487 2
20 . 1 . 1 2 2 PRO CB C 13 32.222 0.009 . 1 . . . . . 2 PRO CB . 50487 2
21 . 1 . 1 2 2 PRO CG C 13 27.389 0.000 . 1 . . . . . 2 PRO CG . 50487 2
22 . 1 . 1 2 2 PRO CD C 13 50.746 0.056 . 1 . . . . . 2 PRO CD . 50487 2
23 . 1 . 1 3 3 PHE H H 1 8.520 0.000 . 1 . . . . . 3 PHE H . 50487 2
24 . 1 . 1 3 3 PHE HA H 1 4.715 0.001 . 1 . . . . . 3 PHE HA . 50487 2
25 . 1 . 1 3 3 PHE HB2 H 1 3.030 0.003 . 2 . . . . . 3 PHE HB2 . 50487 2
26 . 1 . 1 3 3 PHE HB3 H 1 3.115 0.004 . 2 . . . . . 3 PHE HB3 . 50487 2
27 . 1 . 1 3 3 PHE HD1 H 1 7.226 0.002 . 1 . . . . . 3 PHE HD1 . 50487 2
28 . 1 . 1 3 3 PHE HD2 H 1 7.226 0.002 . 1 . . . . . 3 PHE HD2 . 50487 2
29 . 1 . 1 3 3 PHE HE1 H 1 7.340 0.001 . 1 . . . . . 3 PHE HE1 . 50487 2
30 . 1 . 1 3 3 PHE HE2 H 1 7.340 0.001 . 1 . . . . . 3 PHE HE2 . 50487 2
31 . 1 . 1 3 3 PHE HZ H 1 7.295 0.000 . 1 . . . . . 3 PHE HZ . 50487 2
32 . 1 . 1 3 3 PHE CA C 13 57.632 0.000 . 1 . . . . . 3 PHE CA . 50487 2
33 . 1 . 1 3 3 PHE CB C 13 39.694 0.003 . 1 . . . . . 3 PHE CB . 50487 2
34 . 1 . 1 3 3 PHE CD1 C 13 131.786 0.000 . 1 . . . . . 3 PHE CD1 . 50487 2
35 . 1 . 1 3 3 PHE CD2 C 13 131.786 0.000 . 1 . . . . . 3 PHE CD2 . 50487 2
36 . 1 . 1 3 3 PHE CE1 C 13 131.571 0.000 . 1 . . . . . 3 PHE CE1 . 50487 2
37 . 1 . 1 3 3 PHE CE2 C 13 131.571 0.000 . 1 . . . . . 3 PHE CE2 . 50487 2
38 . 1 . 1 3 3 PHE CZ C 13 129.915 0.000 . 1 . . . . . 3 PHE CZ . 50487 2
39 . 1 . 1 4 4 THR H H 1 8.177 0.003 . 1 . . . . . 4 THR H . 50487 2
40 . 1 . 1 4 4 THR HA H 1 4.336 0.002 . 1 . . . . . 4 THR HA . 50487 2
41 . 1 . 1 4 4 THR HB H 1 4.245 0.001 . 1 . . . . . 4 THR HB . 50487 2
42 . 1 . 1 4 4 THR HG21 H 1 1.193 0.004 . 1 . . . . . 4 THR QG2 . 50487 2
43 . 1 . 1 4 4 THR HG22 H 1 1.193 0.004 . 1 . . . . . 4 THR QG2 . 50487 2
44 . 1 . 1 4 4 THR HG23 H 1 1.193 0.004 . 1 . . . . . 4 THR QG2 . 50487 2
45 . 1 . 1 4 4 THR CA C 13 61.212 0.087 . 1 . . . . . 4 THR CA . 50487 2
46 . 1 . 1 4 4 THR CB C 13 70.374 0.087 . 1 . . . . . 4 THR CB . 50487 2
47 . 1 . 1 4 4 THR CG2 C 13 21.655 0.000 . 1 . . . . . 4 THR CG2 . 50487 2
48 . 1 . 1 5 5 ORN H H 1 8.476 0.001 . 1 . . . . . 5 ORN H . 50487 2
49 . 1 . 1 5 5 ORN HA H 1 4.222 0.005 . 1 . . . . . 5 ORN HA . 50487 2
50 . 1 . 1 5 5 ORN HB2 H 1 1.786 0.005 . 2 . . . . . 5 ORN HB2 . 50487 2
51 . 1 . 1 5 5 ORN HB3 H 1 1.858 0.005 . 2 . . . . . 5 ORN HB3 . 50487 2
52 . 1 . 1 5 5 ORN HG2 H 1 1.732 0.004 . 2 . . . . . 5 ORN HG2 . 50487 2
53 . 1 . 1 5 5 ORN HG3 H 1 1.732 0.004 . 2 . . . . . 5 ORN HG3 . 50487 2
54 . 1 . 1 5 5 ORN HD2 H 1 3.010 0.006 . 2 . . . . . 5 ORN HD2 . 50487 2
55 . 1 . 1 5 5 ORN HD3 H 1 3.010 0.006 . 2 . . . . . 5 ORN HD3 . 50487 2
56 . 1 . 1 5 5 ORN CA C 13 56.859 0.063 . 1 . . . . . 5 ORN CA . 50487 2
57 . 1 . 1 5 5 ORN CB C 13 30.469 0.009 . 1 . . . . . 5 ORN CB . 50487 2
58 . 1 . 1 5 5 ORN CG C 13 26.152 0.000 . 1 . . . . . 5 ORN CG . 50487 2
59 . 1 . 1 5 5 ORN CD C 13 41.940 0.000 . 1 . . . . . 5 ORN CD . 50487 2
60 . 1 . 1 6 6 ALA H H 1 8.382 0.001 . 1 . . . . . 6 ALA H . 50487 2
61 . 1 . 1 6 6 ALA HA H 1 4.229 0.002 . 1 . . . . . 6 ALA HA . 50487 2
62 . 1 . 1 6 6 ALA HB1 H 1 1.340 0.001 . 1 . . . . . 6 ALA HB# . 50487 2
63 . 1 . 1 6 6 ALA HB2 H 1 1.340 0.001 . 1 . . . . . 6 ALA HB# . 50487 2
64 . 1 . 1 6 6 ALA HB3 H 1 1.340 0.001 . 1 . . . . . 6 ALA HB# . 50487 2
65 . 1 . 1 6 6 ALA CA C 13 53.198 0.065 . 1 . . . . . 6 ALA CA . 50487 2
66 . 1 . 1 6 6 ALA CB C 13 19.007 0.000 . 1 . . . . . 6 ALA CB . 50487 2
67 . 1 . 1 7 7 GLN H H 1 8.190 0.004 . 1 . . . . . 7 GLN H . 50487 2
68 . 1 . 1 7 7 GLN HA H 1 4.174 0.004 . 1 . . . . . 7 GLN HA . 50487 2
69 . 1 . 1 7 7 GLN HB2 H 1 1.866 0.002 . 2 . . . . . 7 GLN HB2 . 50487 2
70 . 1 . 1 7 7 GLN HB3 H 1 1.949 0.007 . 2 . . . . . 7 GLN HB3 . 50487 2
71 . 1 . 1 7 7 GLN HG2 H 1 2.245 0.004 . 2 . . . . . 7 GLN HG2 . 50487 2
72 . 1 . 1 7 7 GLN HG3 H 1 2.245 0.004 . 2 . . . . . 7 GLN HG3 . 50487 2
73 . 1 . 1 7 7 GLN HE21 H 1 6.860 0.001 . 2 . . . . . 7 GLN HE21 . 50487 2
74 . 1 . 1 7 7 GLN HE22 H 1 7.462 0.001 . 2 . . . . . 7 GLN HE22 . 50487 2
75 . 1 . 1 7 7 GLN CA C 13 56.541 0.083 . 1 . . . . . 7 GLN CA . 50487 2
76 . 1 . 1 7 7 GLN CB C 13 29.434 0.000 . 1 . . . . . 7 GLN CB . 50487 2
77 . 1 . 1 7 7 GLN CG C 13 33.988 0.000 . 1 . . . . . 7 GLN CG . 50487 2
78 . 1 . 1 8 8 TRP H H 1 8.175 0.001 . 1 . . . . . 8 TRP H . 50487 2
79 . 1 . 1 8 8 TRP HA H 1 4.495 0.004 . 1 . . . . . 8 TRP HA . 50487 2
80 . 1 . 1 8 8 TRP HB2 H 1 3.212 0.002 . 2 . . . . . 8 TRP HB2 . 50487 2
81 . 1 . 1 8 8 TRP HB3 H 1 3.212 0.002 . 2 . . . . . 8 TRP HB3 . 50487 2
82 . 1 . 1 8 8 TRP HD1 H 1 7.126 0.001 . 1 . . . . . 8 TRP HD1 . 50487 2
83 . 1 . 1 8 8 TRP HE1 H 1 10.095 0.001 . 1 . . . . . 8 TRP HE1 . 50487 2
84 . 1 . 1 8 8 TRP HE3 H 1 7.470 0.003 . 1 . . . . . 8 TRP HE3 . 50487 2
85 . 1 . 1 8 8 TRP HZ2 H 1 7.464 0.001 . 1 . . . . . 8 TRP HZ2 . 50487 2
86 . 1 . 1 8 8 TRP HZ3 H 1 7.116 0.001 . 1 . . . . . 8 TRP HZ3 . 50487 2
87 . 1 . 1 8 8 TRP HH2 H 1 7.223 0.000 . 1 . . . . . 8 TRP HH2 . 50487 2
88 . 1 . 1 8 8 TRP CA C 13 58.106 0.000 . 1 . . . . . 8 TRP CA . 50487 2
89 . 1 . 1 8 8 TRP CB C 13 29.745 0.000 . 1 . . . . . 8 TRP CB . 50487 2
90 . 1 . 1 8 8 TRP CD1 C 13 127.255 0.000 . 1 . . . . . 8 TRP CD1 . 50487 2
91 . 1 . 1 8 8 TRP CE3 C 13 120.851 0.000 . 1 . . . . . 8 TRP CE3 . 50487 2
92 . 1 . 1 8 8 TRP CZ2 C 13 114.758 0.000 . 1 . . . . . 8 TRP CZ2 . 50487 2
93 . 1 . 1 8 8 TRP CZ3 C 13 122.104 0.000 . 1 . . . . . 8 TRP CZ3 . 50487 2
94 . 1 . 1 8 8 TRP CH2 C 13 124.727 0.000 . 1 . . . . . 8 TRP CH2 . 50487 2
95 . 1 . 1 9 9 PHE H H 1 7.852 0.001 . 1 . . . . . 9 PHE H . 50487 2
96 . 1 . 1 9 9 PHE HA H 1 4.347 0.003 . 1 . . . . . 9 PHE HA . 50487 2
97 . 1 . 1 9 9 PHE HB2 H 1 2.914 0.001 . 2 . . . . . 9 PHE HB2 . 50487 2
98 . 1 . 1 9 9 PHE HB3 H 1 2.998 0.005 . 2 . . . . . 9 PHE HB3 . 50487 2
99 . 1 . 1 9 9 PHE HD1 H 1 7.162 0.003 . 1 . . . . . 9 PHE HD1 . 50487 2
100 . 1 . 1 9 9 PHE HD2 H 1 7.162 0.003 . 1 . . . . . 9 PHE HD2 . 50487 2
101 . 1 . 1 9 9 PHE HE1 H 1 7.300 0.002 . 1 . . . . . 9 PHE HE1 . 50487 2
102 . 1 . 1 9 9 PHE HE2 H 1 7.300 0.002 . 1 . . . . . 9 PHE HE2 . 50487 2
103 . 1 . 1 9 9 PHE HZ H 1 7.239 0.003 . 1 . . . . . 9 PHE HZ . 50487 2
104 . 1 . 1 9 9 PHE CA C 13 58.228 0.057 . 1 . . . . . 9 PHE CA . 50487 2
105 . 1 . 1 9 9 PHE CB C 13 39.713 0.013 . 1 . . . . . 9 PHE CB . 50487 2
106 . 1 . 1 9 9 PHE CD1 C 13 132.002 0.000 . 1 . . . . . 9 PHE CD1 . 50487 2
107 . 1 . 1 9 9 PHE CD2 C 13 132.002 0.000 . 1 . . . . . 9 PHE CD2 . 50487 2
108 . 1 . 1 9 9 PHE CE1 C 13 131.454 0.000 . 1 . . . . . 9 PHE CE1 . 50487 2
109 . 1 . 1 9 9 PHE CE2 C 13 131.454 0.000 . 1 . . . . . 9 PHE CE2 . 50487 2
110 . 1 . 1 9 9 PHE CZ C 13 129.904 0.000 . 1 . . . . . 9 PHE CZ . 50487 2
111 . 1 . 1 10 10 ALA H H 1 7.908 0.001 . 1 . . . . . 10 ALA H . 50487 2
112 . 1 . 1 10 10 ALA HA H 1 4.137 0.002 . 1 . . . . . 10 ALA HA . 50487 2
113 . 1 . 1 10 10 ALA HB1 H 1 1.363 0.002 . 1 . . . . . 10 ALA HB# . 50487 2
114 . 1 . 1 10 10 ALA HB2 H 1 1.363 0.002 . 1 . . . . . 10 ALA HB# . 50487 2
115 . 1 . 1 10 10 ALA HB3 H 1 1.363 0.002 . 1 . . . . . 10 ALA HB# . 50487 2
116 . 1 . 1 10 10 ALA CA C 13 52.952 0.060 . 1 . . . . . 10 ALA CA . 50487 2
117 . 1 . 1 10 10 ALA CB C 13 19.076 0.000 . 1 . . . . . 10 ALA CB . 50487 2
118 . 1 . 1 11 11 ILE H H 1 7.868 0.001 . 1 . . . . . 11 ILE H . 50487 2
119 . 1 . 1 11 11 ILE HA H 1 4.008 0.001 . 1 . . . . . 11 ILE HA . 50487 2
120 . 1 . 1 11 11 ILE HB H 1 1.790 0.002 . 1 . . . . . 11 ILE HB . 50487 2
121 . 1 . 1 11 11 ILE HG12 H 1 1.155 0.004 . 2 . . . . . 11 ILE HG12 . 50487 2
122 . 1 . 1 11 11 ILE HG13 H 1 1.432 0.003 . 2 . . . . . 11 ILE HG13 . 50487 2
123 . 1 . 1 11 11 ILE HG21 H 1 0.811 0.002 . 1 . . . . . 11 ILE QG2 . 50487 2
124 . 1 . 1 11 11 ILE HG22 H 1 0.811 0.002 . 1 . . . . . 11 ILE QG2 . 50487 2
125 . 1 . 1 11 11 ILE HG23 H 1 0.811 0.002 . 1 . . . . . 11 ILE QG2 . 50487 2
126 . 1 . 1 11 11 ILE HD11 H 1 0.787 0.002 . 1 . . . . . 11 ILE QD1 . 50487 2
127 . 1 . 1 11 11 ILE HD12 H 1 0.787 0.002 . 1 . . . . . 11 ILE QD1 . 50487 2
128 . 1 . 1 11 11 ILE HD13 H 1 0.787 0.002 . 1 . . . . . 11 ILE QD1 . 50487 2
129 . 1 . 1 11 11 ILE CA C 13 61.633 0.066 . 1 . . . . . 11 ILE CA . 50487 2
130 . 1 . 1 11 11 ILE CB C 13 38.683 0.000 . 1 . . . . . 11 ILE CB . 50487 2
131 . 1 . 1 11 11 ILE CG1 C 13 27.767 0.006 . 1 . . . . . 11 ILE CG1 . 50487 2
132 . 1 . 1 11 11 ILE CG2 C 13 17.424 0.000 . 1 . . . . . 11 ILE CG2 . 50487 2
133 . 1 . 1 11 11 ILE CD1 C 13 13.069 0.000 . 1 . . . . . 11 ILE CD1 . 50487 2
134 . 1 . 1 12 12 GLN H H 1 8.141 0.003 . 1 . . . . . 12 GLN H . 50487 2
135 . 1 . 1 12 12 GLN HA H 1 4.186 0.005 . 1 . . . . . 12 GLN HA . 50487 2
136 . 1 . 1 12 12 GLN HB2 H 1 1.836 0.004 . 2 . . . . . 12 GLN HB2 . 50487 2
137 . 1 . 1 12 12 GLN HB3 H 1 1.927 0.002 . 2 . . . . . 12 GLN HB3 . 50487 2
138 . 1 . 1 12 12 GLN HG2 H 1 2.181 0.003 . 2 . . . . . 12 GLN HG2 . 50487 2
139 . 1 . 1 12 12 GLN HG3 H 1 2.181 0.003 . 2 . . . . . 12 GLN HG3 . 50487 2
140 . 1 . 1 12 12 GLN HE21 H 1 6.755 0.001 . 2 . . . . . 12 GLN HE21 . 50487 2
141 . 1 . 1 12 12 GLN HE22 H 1 7.245 0.001 . 2 . . . . . 12 GLN HE22 . 50487 2
142 . 1 . 1 12 12 GLN CA C 13 55.761 0.064 . 1 . . . . . 12 GLN CA . 50487 2
143 . 1 . 1 12 12 GLN CB C 13 29.476 0.002 . 1 . . . . . 12 GLN CB . 50487 2
144 . 1 . 1 12 12 GLN CG C 13 33.726 0.000 . 1 . . . . . 12 GLN CG . 50487 2
145 . 1 . 1 13 13 HIS H H 1 8.382 0.002 . 1 . . . . . 13 HIS H . 50487 2
146 . 1 . 1 13 13 HIS HA H 1 4.642 0.007 . 1 . . . . . 13 HIS HA . 50487 2
147 . 1 . 1 13 13 HIS HB2 H 1 3.049 0.006 . 2 . . . . . 13 HIS HB2 . 50487 2
148 . 1 . 1 13 13 HIS HB3 H 1 3.209 0.003 . 2 . . . . . 13 HIS HB3 . 50487 2
149 . 1 . 1 13 13 HIS HD2 H 1 7.184 0.001 . 1 . . . . . 13 HIS HD2 . 50487 2
150 . 1 . 1 13 13 HIS HE1 H 1 8.463 0.001 . 1 . . . . . 13 HIS HE1 . 50487 2
151 . 1 . 1 13 13 HIS CA C 13 55.333 0.000 . 1 . . . . . 13 HIS CA . 50487 2
152 . 1 . 1 13 13 HIS CB C 13 28.860 0.000 . 1 . . . . . 13 HIS CB . 50487 2
153 . 1 . 1 13 13 HIS CD2 C 13 120.107 0.000 . 1 . . . . . 13 HIS CD2 . 50487 2
154 . 1 . 1 13 13 HIS CE1 C 13 136.344 0.000 . 1 . . . . . 13 HIS CE1 . 50487 2
155 . 1 . 1 14 14 ILE H H 1 8.146 0.004 . 1 . . . . . 14 ILE H . 50487 2
156 . 1 . 1 14 14 ILE HA H 1 4.193 0.003 . 1 . . . . . 14 ILE HA . 50487 2
157 . 1 . 1 14 14 ILE HB H 1 1.800 0.003 . 1 . . . . . 14 ILE HB . 50487 2
158 . 1 . 1 14 14 ILE HG12 H 1 1.144 0.005 . 2 . . . . . 14 ILE HG12 . 50487 2
159 . 1 . 1 14 14 ILE HG13 H 1 1.429 0.003 . 2 . . . . . 14 ILE HG13 . 50487 2
160 . 1 . 1 14 14 ILE HG21 H 1 0.871 0.003 . 1 . . . . . 14 ILE QG2 . 50487 2
161 . 1 . 1 14 14 ILE HG22 H 1 0.871 0.003 . 1 . . . . . 14 ILE QG2 . 50487 2
162 . 1 . 1 14 14 ILE HG23 H 1 0.871 0.003 . 1 . . . . . 14 ILE QG2 . 50487 2
163 . 1 . 1 14 14 ILE HD11 H 1 0.833 0.002 . 1 . . . . . 14 ILE QD1 . 50487 2
164 . 1 . 1 14 14 ILE HD12 H 1 0.833 0.002 . 1 . . . . . 14 ILE QD1 . 50487 2
165 . 1 . 1 14 14 ILE HD13 H 1 0.833 0.002 . 1 . . . . . 14 ILE QD1 . 50487 2
166 . 1 . 1 14 14 ILE CA C 13 60.827 0.071 . 1 . . . . . 14 ILE CA . 50487 2
167 . 1 . 1 14 14 ILE CB C 13 38.955 0.000 . 1 . . . . . 14 ILE CB . 50487 2
168 . 1 . 1 14 14 ILE CG1 C 13 27.739 0.034 . 1 . . . . . 14 ILE CG1 . 50487 2
169 . 1 . 1 14 14 ILE CG2 C 13 17.359 0.000 . 1 . . . . . 14 ILE CG2 . 50487 2
170 . 1 . 1 14 14 ILE CD1 C 13 12.779 0.000 . 1 . . . . . 14 ILE CD1 . 50487 2
171 . 1 . 1 15 15 SER H H 1 8.547 0.001 . 1 . . . . . 15 SER H . 50487 2
172 . 1 . 1 15 15 SER HB2 H 1 3.833 0.000 . 2 . . . . . 15 SER HB2 . 50487 2
173 . 1 . 1 15 15 SER HB3 H 1 3.885 0.007 . 2 . . . . . 15 SER HB3 . 50487 2
174 . 1 . 1 15 15 SER CB C 13 63.302 0.085 . 1 . . . . . 15 SER CB . 50487 2
175 . 1 . 1 16 16 PRO HA H 1 4.431 0.003 . 1 . . . . . 16 PRO HA . 50487 2
176 . 1 . 1 16 16 PRO HB2 H 1 1.930 0.005 . 2 . . . . . 16 PRO HB2 . 50487 2
177 . 1 . 1 16 16 PRO HB3 H 1 2.309 0.007 . 2 . . . . . 16 PRO HB3 . 50487 2
178 . 1 . 1 16 16 PRO HG2 H 1 2.028 0.005 . 2 . . . . . 16 PRO HG2 . 50487 2
179 . 1 . 1 16 16 PRO HG3 H 1 2.028 0.005 . 2 . . . . . 16 PRO HG3 . 50487 2
180 . 1 . 1 16 16 PRO HD2 H 1 3.752 0.004 . 2 . . . . . 16 PRO HD2 . 50487 2
181 . 1 . 1 16 16 PRO HD3 H 1 3.861 0.004 . 2 . . . . . 16 PRO HD3 . 50487 2
182 . 1 . 1 16 16 PRO CA C 13 63.365 0.037 . 1 . . . . . 16 PRO CA . 50487 2
183 . 1 . 1 16 16 PRO CB C 13 32.237 0.006 . 1 . . . . . 16 PRO CB . 50487 2
184 . 1 . 1 16 16 PRO CG C 13 27.426 0.000 . 1 . . . . . 16 PRO CG . 50487 2
185 . 1 . 1 16 16 PRO CD C 13 50.911 0.028 . 1 . . . . . 16 PRO CD . 50487 2
186 . 1 . 1 17 17 ORN H H 1 8.449 0.001 . 1 . . . . . 17 ORN H . 50487 2
187 . 1 . 1 17 17 ORN HA H 1 4.378 0.002 . 1 . . . . . 17 ORN HA . 50487 2
188 . 1 . 1 17 17 ORN HB2 H 1 1.785 0.005 . 2 . . . . . 17 ORN HB2 . 50487 2
189 . 1 . 1 17 17 ORN HB3 H 1 1.884 0.007 . 2 . . . . . 17 ORN HB3 . 50487 2
190 . 1 . 1 17 17 ORN HG2 H 1 1.761 0.000 . 2 . . . . . 17 ORN HG2 . 50487 2
191 . 1 . 1 17 17 ORN HG3 H 1 1.761 0.000 . 2 . . . . . 17 ORN HG3 . 50487 2
192 . 1 . 1 17 17 ORN HD2 H 1 3.027 0.000 . 2 . . . . . 17 ORN HD2 . 50487 2
193 . 1 . 1 17 17 ORN HD3 H 1 3.027 0.000 . 2 . . . . . 17 ORN HD3 . 50487 2
194 . 1 . 1 17 17 ORN CA C 13 56.060 0.071 . 1 . . . . . 17 ORN CA . 50487 2
195 . 1 . 1 17 17 ORN CB C 13 30.577 0.015 . 1 . . . . . 17 ORN CB . 50487 2
196 . 1 . 1 17 17 ORN CG C 13 26.179 0.000 . 1 . . . . . 17 ORN CG . 50487 2
197 . 1 . 1 18 18 THR H H 1 8.142 0.003 . 1 . . . . . 18 THR H . 50487 2
198 . 1 . 1 18 18 THR HA H 1 4.315 0.003 . 1 . . . . . 18 THR HA . 50487 2
199 . 1 . 1 18 18 THR HB H 1 4.167 0.003 . 1 . . . . . 18 THR HB . 50487 2
200 . 1 . 1 18 18 THR HG21 H 1 1.189 0.002 . 1 . . . . . 18 THR QG2 . 50487 2
201 . 1 . 1 18 18 THR HG22 H 1 1.189 0.002 . 1 . . . . . 18 THR QG2 . 50487 2
202 . 1 . 1 18 18 THR HG23 H 1 1.189 0.002 . 1 . . . . . 18 THR QG2 . 50487 2
203 . 1 . 1 18 18 THR CA C 13 62.029 0.069 . 1 . . . . . 18 THR CA . 50487 2
204 . 1 . 1 18 18 THR CB C 13 69.900 0.097 . 1 . . . . . 18 THR CB . 50487 2
205 . 1 . 1 18 18 THR CG2 C 13 21.655 0.000 . 1 . . . . . 18 THR CG2 . 50487 2
206 . 1 . 1 19 19 ILE H H 1 8.211 0.001 . 1 . . . . . 19 ILE H . 50487 2
207 . 1 . 1 19 19 ILE HA H 1 4.142 0.008 . 1 . . . . . 19 ILE HA . 50487 2
208 . 1 . 1 19 19 ILE HB H 1 1.845 0.005 . 1 . . . . . 19 ILE HB . 50487 2
209 . 1 . 1 19 19 ILE HG12 H 1 1.172 0.006 . 2 . . . . . 19 ILE HG12 . 50487 2
210 . 1 . 1 19 19 ILE HG13 H 1 1.472 0.007 . 2 . . . . . 19 ILE HG13 . 50487 2
211 . 1 . 1 19 19 ILE HG21 H 1 0.907 0.002 . 1 . . . . . 19 ILE QG2 . 50487 2
212 . 1 . 1 19 19 ILE HG22 H 1 0.907 0.002 . 1 . . . . . 19 ILE QG2 . 50487 2
213 . 1 . 1 19 19 ILE HG23 H 1 0.907 0.002 . 1 . . . . . 19 ILE QG2 . 50487 2
214 . 1 . 1 19 19 ILE HD11 H 1 0.861 0.007 . 1 . . . . . 19 ILE QD1 . 50487 2
215 . 1 . 1 19 19 ILE HD12 H 1 0.861 0.007 . 1 . . . . . 19 ILE QD1 . 50487 2
216 . 1 . 1 19 19 ILE HD13 H 1 0.861 0.007 . 1 . . . . . 19 ILE QD1 . 50487 2
217 . 1 . 1 19 19 ILE CA C 13 61.038 0.067 . 1 . . . . . 19 ILE CA . 50487 2
218 . 1 . 1 19 19 ILE CB C 13 38.919 0.000 . 1 . . . . . 19 ILE CB . 50487 2
219 . 1 . 1 19 19 ILE CG1 C 13 27.329 0.006 . 1 . . . . . 19 ILE CG1 . 50487 2
220 . 1 . 1 19 19 ILE CG2 C 13 17.468 0.000 . 1 . . . . . 19 ILE CG2 . 50487 2
221 . 1 . 1 19 19 ILE CD1 C 13 12.941 0.000 . 1 . . . . . 19 ILE CD1 . 50487 2
222 . 1 . 1 20 20 ALA H H 1 8.339 0.004 . 1 . . . . . 20 ALA H . 50487 2
223 . 1 . 1 20 20 ALA HA H 1 4.316 0.003 . 1 . . . . . 20 ALA HA . 50487 2
224 . 1 . 1 20 20 ALA HB1 H 1 1.372 0.004 . 1 . . . . . 20 ALA HB# . 50487 2
225 . 1 . 1 20 20 ALA HB2 H 1 1.372 0.004 . 1 . . . . . 20 ALA HB# . 50487 2
226 . 1 . 1 20 20 ALA HB3 H 1 1.372 0.004 . 1 . . . . . 20 ALA HB# . 50487 2
227 . 1 . 1 20 20 ALA CA C 13 52.414 0.069 . 1 . . . . . 20 ALA CA . 50487 2
228 . 1 . 1 20 20 ALA CB C 13 19.273 0.000 . 1 . . . . . 20 ALA CB . 50487 2
229 . 1 . 1 21 21 MET H H 1 8.313 0.002 . 1 . . . . . 21 MET H . 50487 2
230 . 1 . 1 21 21 MET HA H 1 4.418 0.002 . 1 . . . . . 21 MET HA . 50487 2
231 . 1 . 1 21 21 MET HB2 H 1 2.005 0.002 . 2 . . . . . 21 MET HB2 . 50487 2
232 . 1 . 1 21 21 MET HB3 H 1 2.051 0.002 . 2 . . . . . 21 MET HB3 . 50487 2
233 . 1 . 1 21 21 MET HG2 H 1 2.553 0.001 . 2 . . . . . 21 MET HG2 . 50487 2
234 . 1 . 1 21 21 MET HG3 H 1 2.607 0.001 . 2 . . . . . 21 MET HG3 . 50487 2
235 . 1 . 1 21 21 MET HE1 H 1 2.095 0.000 . 1 . . . . . 21 MET HE# . 50487 2
236 . 1 . 1 21 21 MET HE2 H 1 2.095 0.000 . 1 . . . . . 21 MET HE# . 50487 2
237 . 1 . 1 21 21 MET HE3 H 1 2.095 0.000 . 1 . . . . . 21 MET HE# . 50487 2
238 . 1 . 1 21 21 MET CA C 13 55.535 0.081 . 1 . . . . . 21 MET CA . 50487 2
239 . 1 . 1 21 21 MET CB C 13 33.144 0.001 . 1 . . . . . 21 MET CB . 50487 2
240 . 1 . 1 21 21 MET CG C 13 32.006 0.006 . 1 . . . . . 21 MET CG . 50487 2
241 . 1 . 1 21 21 MET CE C 13 17.021 0.000 . 1 . . . . . 21 MET CE . 50487 2
242 . 1 . 1 22 22 ORN H H 1 8.361 0.001 . 1 . . . . . 22 ORN H . 50487 2
243 . 1 . 1 22 22 ORN HA H 1 4.323 0.003 . 1 . . . . . 22 ORN HA . 50487 2
244 . 1 . 1 22 22 ORN HB2 H 1 1.765 0.005 . 2 . . . . . 22 ORN HB2 . 50487 2
245 . 1 . 1 22 22 ORN HB3 H 1 1.860 0.005 . 2 . . . . . 22 ORN HB3 . 50487 2
246 . 1 . 1 22 22 ORN HG2 H 1 1.733 0.002 . 2 . . . . . 22 ORN HG2 . 50487 2
247 . 1 . 1 22 22 ORN HG3 H 1 1.733 0.002 . 2 . . . . . 22 ORN HG3 . 50487 2
248 . 1 . 1 22 22 ORN HD2 H 1 3.018 0.003 . 2 . . . . . 22 ORN HD2 . 50487 2
249 . 1 . 1 22 22 ORN HD3 H 1 3.018 0.003 . 2 . . . . . 22 ORN HD3 . 50487 2
250 . 1 . 1 22 22 ORN CA C 13 55.844 0.073 . 1 . . . . . 22 ORN CA . 50487 2
251 . 1 . 1 22 22 ORN CB C 13 30.700 0.006 . 1 . . . . . 22 ORN CB . 50487 2
252 . 1 . 1 22 22 ORN CG C 13 26.152 0.000 . 1 . . . . . 22 ORN CG . 50487 2
253 . 1 . 1 23 23 ALA H H 1 8.340 0.008 . 1 . . . . . 23 ALA H . 50487 2
254 . 1 . 1 23 23 ALA HA H 1 4.316 0.003 . 1 . . . . . 23 ALA HA . 50487 2
255 . 1 . 1 23 23 ALA HB1 H 1 1.371 0.003 . 1 . . . . . 23 ALA HB# . 50487 2
256 . 1 . 1 23 23 ALA HB2 H 1 1.371 0.003 . 1 . . . . . 23 ALA HB# . 50487 2
257 . 1 . 1 23 23 ALA HB3 H 1 1.371 0.003 . 1 . . . . . 23 ALA HB# . 50487 2
258 . 1 . 1 23 23 ALA CA C 13 52.410 0.064 . 1 . . . . . 23 ALA CA . 50487 2
259 . 1 . 1 23 23 ALA CB C 13 19.287 0.000 . 1 . . . . . 23 ALA CB . 50487 2
260 . 1 . 1 24 24 ILE H H 1 8.161 0.005 . 1 . . . . . 24 ILE H . 50487 2
261 . 1 . 1 24 24 ILE HA H 1 4.121 0.002 . 1 . . . . . 24 ILE HA . 50487 2
262 . 1 . 1 24 24 ILE HB H 1 1.825 0.001 . 1 . . . . . 24 ILE HB . 50487 2
263 . 1 . 1 24 24 ILE HG12 H 1 1.173 0.007 . 2 . . . . . 24 ILE HG12 . 50487 2
264 . 1 . 1 24 24 ILE HG13 H 1 1.466 0.004 . 2 . . . . . 24 ILE HG13 . 50487 2
265 . 1 . 1 24 24 ILE HG21 H 1 0.884 0.001 . 1 . . . . . 24 ILE QG2 . 50487 2
266 . 1 . 1 24 24 ILE HG22 H 1 0.884 0.001 . 1 . . . . . 24 ILE QG2 . 50487 2
267 . 1 . 1 24 24 ILE HG23 H 1 0.884 0.001 . 1 . . . . . 24 ILE QG2 . 50487 2
268 . 1 . 1 24 24 ILE HD11 H 1 0.857 0.002 . 1 . . . . . 24 ILE QD1 . 50487 2
269 . 1 . 1 24 24 ILE HD12 H 1 0.857 0.002 . 1 . . . . . 24 ILE QD1 . 50487 2
270 . 1 . 1 24 24 ILE HD13 H 1 0.857 0.002 . 1 . . . . . 24 ILE QD1 . 50487 2
271 . 1 . 1 24 24 ILE CA C 13 61.183 0.087 . 1 . . . . . 24 ILE CA . 50487 2
272 . 1 . 1 24 24 ILE CB C 13 38.911 0.000 . 1 . . . . . 24 ILE CB . 50487 2
273 . 1 . 1 24 24 ILE CG1 C 13 27.329 0.006 . 1 . . . . . 24 ILE CG1 . 50487 2
274 . 1 . 1 24 24 ILE CG2 C 13 17.602 0.000 . 1 . . . . . 24 ILE CG2 . 50487 2
275 . 1 . 1 24 24 ILE CD1 C 13 12.941 0.000 . 1 . . . . . 24 ILE CD1 . 50487 2
276 . 1 . 1 25 25 ASN H H 1 8.450 0.001 . 1 . . . . . 25 ASN H . 50487 2
277 . 1 . 1 25 25 ASN HA H 1 4.671 0.002 . 1 . . . . . 25 ASN HA . 50487 2
278 . 1 . 1 25 25 ASN HB2 H 1 2.675 0.002 . 2 . . . . . 25 ASN HB2 . 50487 2
279 . 1 . 1 25 25 ASN HB3 H 1 2.723 0.000 . 2 . . . . . 25 ASN HB3 . 50487 2
280 . 1 . 1 25 25 ASN HD21 H 1 6.891 0.001 . 2 . . . . . 25 ASN HD21 . 50487 2
281 . 1 . 1 25 25 ASN HD22 H 1 7.550 0.000 . 2 . . . . . 25 ASN HD22 . 50487 2
282 . 1 . 1 25 25 ASN CA C 13 52.972 0.000 . 1 . . . . . 25 ASN CA . 50487 2
283 . 1 . 1 25 25 ASN CB C 13 39.037 0.003 . 1 . . . . . 25 ASN CB . 50487 2
284 . 1 . 1 26 26 ASN H H 1 8.349 0.001 . 1 . . . . . 26 ASN H . 50487 2
285 . 1 . 1 26 26 ASN HA H 1 4.667 0.008 . 1 . . . . . 26 ASN HA . 50487 2
286 . 1 . 1 26 26 ASN HB2 H 1 2.677 0.001 . 2 . . . . . 26 ASN HB2 . 50487 2
287 . 1 . 1 26 26 ASN HB3 H 1 2.737 0.002 . 2 . . . . . 26 ASN HB3 . 50487 2
288 . 1 . 1 26 26 ASN HD21 H 1 6.840 0.001 . 2 . . . . . 26 ASN HD21 . 50487 2
289 . 1 . 1 26 26 ASN HD22 H 1 7.516 0.000 . 2 . . . . . 26 ASN HD22 . 50487 2
290 . 1 . 1 26 26 ASN CA C 13 52.972 0.000 . 1 . . . . . 26 ASN CA . 50487 2
291 . 1 . 1 26 26 ASN CB C 13 38.806 0.001 . 1 . . . . . 26 ASN CB . 50487 2
292 . 1 . 1 27 27 TYR H H 1 8.109 0.001 . 1 . . . . . 27 TYR H . 50487 2
293 . 1 . 1 27 27 TYR HA H 1 4.442 0.003 . 1 . . . . . 27 TYR HA . 50487 2
294 . 1 . 1 27 27 TYR HB2 H 1 2.899 0.001 . 2 . . . . . 27 TYR HB2 . 50487 2
295 . 1 . 1 27 27 TYR HB3 H 1 2.899 0.001 . 2 . . . . . 27 TYR HB3 . 50487 2
296 . 1 . 1 27 27 TYR HD1 H 1 7.033 0.003 . 1 . . . . . 27 TYR HD1 . 50487 2
297 . 1 . 1 27 27 TYR HD2 H 1 7.033 0.003 . 1 . . . . . 27 TYR HD2 . 50487 2
298 . 1 . 1 27 27 TYR HE1 H 1 6.791 0.001 . 1 . . . . . 27 TYR HE1 . 50487 2
299 . 1 . 1 27 27 TYR HE2 H 1 6.791 0.001 . 1 . . . . . 27 TYR HE2 . 50487 2
300 . 1 . 1 27 27 TYR CA C 13 58.230 0.073 . 1 . . . . . 27 TYR CA . 50487 2
301 . 1 . 1 27 27 TYR CB C 13 38.536 0.000 . 1 . . . . . 27 TYR CB . 50487 2
302 . 1 . 1 27 27 TYR CD1 C 13 133.214 0.000 . 1 . . . . . 27 TYR CD1 . 50487 2
303 . 1 . 1 27 27 TYR CD2 C 13 133.214 0.000 . 1 . . . . . 27 TYR CD2 . 50487 2
304 . 1 . 1 27 27 TYR CE1 C 13 118.298 0.000 . 1 . . . . . 27 TYR CE1 . 50487 2
305 . 1 . 1 27 27 TYR CE2 C 13 118.298 0.000 . 1 . . . . . 27 TYR CE2 . 50487 2
306 . 1 . 1 28 28 ORN H H 1 8.085 0.001 . 1 . . . . . 28 ORN H . 50487 2
307 . 1 . 1 28 28 ORN HA H 1 4.253 0.004 . 1 . . . . . 28 ORN HA . 50487 2
308 . 1 . 1 28 28 ORN HB2 H 1 1.634 0.004 . 2 . . . . . 28 ORN HB2 . 50487 2
309 . 1 . 1 28 28 ORN HB3 H 1 1.732 0.004 . 2 . . . . . 28 ORN HB3 . 50487 2
310 . 1 . 1 28 28 ORN HG2 H 1 1.577 0.002 . 2 . . . . . 28 ORN HG2 . 50487 2
311 . 1 . 1 28 28 ORN HG3 H 1 1.577 0.002 . 2 . . . . . 28 ORN HG3 . 50487 2
312 . 1 . 1 28 28 ORN HD2 H 1 2.954 0.002 . 2 . . . . . 28 ORN HD2 . 50487 2
313 . 1 . 1 28 28 ORN HD3 H 1 2.954 0.002 . 2 . . . . . 28 ORN HD3 . 50487 2
314 . 1 . 1 28 28 ORN CA C 13 55.612 0.083 . 1 . . . . . 28 ORN CA . 50487 2
315 . 1 . 1 28 28 ORN CB C 13 30.534 0.020 . 1 . . . . . 28 ORN CB . 50487 2
316 . 1 . 1 28 28 ORN CG C 13 26.031 0.000 . 1 . . . . . 28 ORN CG . 50487 2
317 . 1 . 1 28 28 ORN CD C 13 41.829 0.000 . 1 . . . . . 28 ORN CD . 50487 2
318 . 1 . 1 29 29 TRP H H 1 8.080 0.000 . 1 . . . . . 29 TRP H . 50487 2
319 . 1 . 1 29 29 TRP HA H 1 4.547 0.007 . 1 . . . . . 29 TRP HA . 50487 2
320 . 1 . 1 29 29 TRP HB2 H 1 3.265 0.001 . 2 . . . . . 29 TRP HB2 . 50487 2
321 . 1 . 1 29 29 TRP HB3 H 1 3.265 0.001 . 2 . . . . . 29 TRP HB3 . 50487 2
322 . 1 . 1 29 29 TRP HD1 H 1 7.272 0.002 . 1 . . . . . 29 TRP HD1 . 50487 2
323 . 1 . 1 29 29 TRP HE1 H 1 10.154 0.001 . 1 . . . . . 29 TRP HE1 . 50487 2
324 . 1 . 1 29 29 TRP HE3 H 1 7.645 0.002 . 1 . . . . . 29 TRP HE3 . 50487 2
325 . 1 . 1 29 29 TRP HZ2 H 1 7.465 0.004 . 1 . . . . . 29 TRP HZ2 . 50487 2
326 . 1 . 1 29 29 TRP HZ3 H 1 7.167 0.001 . 1 . . . . . 29 TRP HZ3 . 50487 2
327 . 1 . 1 29 29 TRP HH2 H 1 7.228 0.002 . 1 . . . . . 29 TRP HH2 . 50487 2
328 . 1 . 1 29 29 TRP CA C 13 57.569 0.000 . 1 . . . . . 29 TRP CA . 50487 2
329 . 1 . 1 29 29 TRP CB C 13 29.583 0.000 . 1 . . . . . 29 TRP CB . 50487 2
330 . 1 . 1 29 29 TRP CD1 C 13 127.454 0.000 . 1 . . . . . 29 TRP CD1 . 50487 2
331 . 1 . 1 29 29 TRP CE3 C 13 121.106 0.000 . 1 . . . . . 29 TRP CE3 . 50487 2
332 . 1 . 1 29 29 TRP CZ2 C 13 114.758 0.000 . 1 . . . . . 29 TRP CZ2 . 50487 2
333 . 1 . 1 29 29 TRP CZ3 C 13 122.250 0.000 . 1 . . . . . 29 TRP CZ3 . 50487 2
334 . 1 . 1 29 29 TRP CH2 C 13 124.834 0.000 . 1 . . . . . 29 TRP CH2 . 50487 2
335 . 1 . 1 30 30 ORN H H 1 8.063 0.001 . 1 . . . . . 30 ORN H . 50487 2
336 . 1 . 1 30 30 ORN HA H 1 4.155 0.004 . 1 . . . . . 30 ORN HA . 50487 2
337 . 1 . 1 30 30 ORN HB2 H 1 1.565 0.003 . 2 . . . . . 30 ORN HB2 . 50487 2
338 . 1 . 1 30 30 ORN HB3 H 1 1.756 0.002 . 2 . . . . . 30 ORN HB3 . 50487 2
339 . 1 . 1 30 30 ORN HG2 H 1 1.548 0.002 . 2 . . . . . 30 ORN HG2 . 50487 2
340 . 1 . 1 30 30 ORN HG3 H 1 1.548 0.002 . 2 . . . . . 30 ORN HG3 . 50487 2
341 . 1 . 1 30 30 ORN HD2 H 1 2.922 0.003 . 2 . . . . . 30 ORN HD2 . 50487 2
342 . 1 . 1 30 30 ORN HD3 H 1 2.922 0.003 . 2 . . . . . 30 ORN HD3 . 50487 2
343 . 1 . 1 30 30 ORN CA C 13 55.481 0.106 . 1 . . . . . 30 ORN CA . 50487 2
344 . 1 . 1 30 30 ORN CB C 13 30.670 0.021 . 1 . . . . . 30 ORN CB . 50487 2
345 . 1 . 1 30 30 ORN CG C 13 25.935 0.000 . 1 . . . . . 30 ORN CG . 50487 2
346 . 1 . 1 30 30 ORN CD C 13 41.832 0.000 . 1 . . . . . 30 ORN CD . 50487 2
347 . 1 . 1 31 31 NH2 HN1 H 1 6.812 0.002 . 2 . . . . . 31 NH2 HN1 . 50487 2
348 . 1 . 1 31 31 NH2 HN2 H 1 6.881 0.000 . 2 . . . . . 31 NH2 HN2 . 50487 2
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