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 50372
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name CB1_dpc
_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
2 '2D 1H-1H COSY' . . . 50372 1
3 '2D 1H-1H TOCSY' . . . 50372 1
4 '2D 1H-1H NOESY' . . . 50372 1
5 '2D 1H-13C HSQC aliphatic' . . . 50372 1
6 '2D 1H-13C HSQC aromatic' . . . 50372 1
8 '2D 1H-1H TOCSY' . . . 50372 1
9 '2D 1H-13C HSQC aliphatic' . . . 50372 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
2 $software_2 . . 50372 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 ACE H1 H 1 2.073 0.001 . 1 . . . . . 0 ACE H1 . 50372 1
2 . 1 . 1 1 1 ACE H2 H 1 2.073 0.001 . 1 . . . . . 0 ACE H2 . 50372 1
3 . 1 . 1 1 1 ACE H3 H 1 2.073 0.001 . 1 . . . . . 0 ACE H3 . 50372 1
4 . 1 . 1 1 1 ACE CH3 C 13 24.720 0.000 . 1 . . . . . 0 ACE CH3 . 50372 1
5 . 1 . 1 2 2 THR H H 1 8.273 0.002 . 1 . . . . . 1 THR H . 50372 1
6 . 1 . 1 2 2 THR HA H 1 4.256 0.004 . 1 . . . . . 1 THR HA . 50372 1
7 . 1 . 1 2 2 THR HB H 1 4.109 0.004 . 1 . . . . . 1 THR HB . 50372 1
8 . 1 . 1 2 2 THR HG21 H 1 1.187 0.002 . 1 . . . . . 1 THR QG2 . 50372 1
9 . 1 . 1 2 2 THR HG22 H 1 1.187 0.002 . 1 . . . . . 1 THR QG2 . 50372 1
10 . 1 . 1 2 2 THR HG23 H 1 1.187 0.002 . 1 . . . . . 1 THR QG2 . 50372 1
11 . 1 . 1 2 2 THR CA C 13 62.843 0.000 . 1 . . . . . 1 THR CA . 50372 1
12 . 1 . 1 2 2 THR CB C 13 69.923 0.000 . 1 . . . . . 1 THR CB . 50372 1
13 . 1 . 1 2 2 THR CG2 C 13 21.852 0.000 . 1 . . . . . 1 THR CG2 . 50372 1
14 . 1 . 1 3 3 VAL H H 1 8.233 0.002 . 1 . . . . . 2 VAL H . 50372 1
15 . 1 . 1 3 3 VAL HA H 1 4.120 0.004 . 1 . . . . . 2 VAL HA . 50372 1
16 . 1 . 1 3 3 VAL HB H 1 2.081 0.002 . 1 . . . . . 2 VAL HB . 50372 1
17 . 1 . 1 3 3 VAL HG11 H 1 0.903 0.006 . 2 . . . . . 2 VAL QG1 . 50372 1
18 . 1 . 1 3 3 VAL HG12 H 1 0.903 0.006 . 2 . . . . . 2 VAL QG1 . 50372 1
19 . 1 . 1 3 3 VAL HG13 H 1 0.903 0.006 . 2 . . . . . 2 VAL QG1 . 50372 1
20 . 1 . 1 3 3 VAL HG21 H 1 0.941 0.005 . 2 . . . . . 2 VAL QG2 . 50372 1
21 . 1 . 1 3 3 VAL HG22 H 1 0.941 0.005 . 2 . . . . . 2 VAL QG2 . 50372 1
22 . 1 . 1 3 3 VAL HG23 H 1 0.941 0.005 . 2 . . . . . 2 VAL QG2 . 50372 1
23 . 1 . 1 3 3 VAL CA C 13 62.240 0.000 . 1 . . . . . 2 VAL CA . 50372 1
24 . 1 . 1 3 3 VAL CB C 13 33.005 0.000 . 1 . . . . . 2 VAL CB . 50372 1
25 . 1 . 1 3 3 VAL CG1 C 13 21.294 0.000 . 1 . . . . . 2 VAL CG1 . 50372 1
26 . 1 . 1 3 3 VAL CG2 C 13 20.931 0.000 . 1 . . . . . 2 VAL CG2 . 50372 1
27 . 1 . 1 4 4 ASN H H 1 8.638 0.002 . 1 . . . . . 3 ASN H . 50372 1
28 . 1 . 1 4 4 ASN HB2 H 1 2.929 0.004 . 2 . . . . . 3 ASN HB2 . 50372 1
29 . 1 . 1 4 4 ASN HB3 H 1 2.699 0.003 . 2 . . . . . 3 ASN HB3 . 50372 1
30 . 1 . 1 4 4 ASN HD21 H 1 6.734 0.001 . 2 . . . . . 3 ASN HD21 . 50372 1
31 . 1 . 1 4 4 ASN HD22 H 1 8.091 0.002 . 2 . . . . . 3 ASN HD22 . 50372 1
32 . 1 . 1 4 4 ASN CB C 13 38.233 0.000 . 1 . . . . . 3 ASN CB . 50372 1
33 . 1 . 1 5 5 PRO HA H 1 4.357 0.005 . 1 . . . . . 4 PRO HA . 50372 1
34 . 1 . 1 5 5 PRO HB2 H 1 1.883 0.006 . 2 . . . . . 4 PRO HB2 . 50372 1
35 . 1 . 1 5 5 PRO HB3 H 1 2.415 0.003 . 2 . . . . . 4 PRO HB3 . 50372 1
36 . 1 . 1 5 5 PRO HG2 H 1 2.058 0.004 . 2 . . . . . 4 PRO HG2 . 50372 1
37 . 1 . 1 5 5 PRO HG3 H 1 2.058 0.004 . 2 . . . . . 4 PRO HG3 . 50372 1
38 . 1 . 1 5 5 PRO HD2 H 1 3.743 0.003 . 2 . . . . . 4 PRO HD2 . 50372 1
39 . 1 . 1 5 5 PRO HD3 H 1 3.854 0.005 . 2 . . . . . 4 PRO HD3 . 50372 1
40 . 1 . 1 5 5 PRO CA C 13 65.367 0.000 . 1 . . . . . 4 PRO CA . 50372 1
41 . 1 . 1 5 5 PRO CB C 13 32.332 0.003 . 1 . . . . . 4 PRO CB . 50372 1
42 . 1 . 1 5 5 PRO CG C 13 27.848 0.000 . 1 . . . . . 4 PRO CG . 50372 1
43 . 1 . 1 5 5 PRO CD C 13 50.939 0.005 . 1 . . . . . 4 PRO CD . 50372 1
44 . 1 . 1 6 6 ILE H H 1 7.997 0.004 . 1 . . . . . 5 ILE H . 50372 1
45 . 1 . 1 6 6 ILE HA H 1 3.822 0.003 . 1 . . . . . 5 ILE HA . 50372 1
46 . 1 . 1 6 6 ILE HB H 1 2.020 0.006 . 1 . . . . . 5 ILE HB . 50372 1
47 . 1 . 1 6 6 ILE HG12 H 1 1.189 0.003 . 2 . . . . . 5 ILE HG12 . 50372 1
48 . 1 . 1 6 6 ILE HG13 H 1 1.662 0.001 . 2 . . . . . 5 ILE HG13 . 50372 1
49 . 1 . 1 6 6 ILE HG21 H 1 0.875 0.002 . 1 . . . . . 5 ILE QG2 . 50372 1
50 . 1 . 1 6 6 ILE HG22 H 1 0.875 0.002 . 1 . . . . . 5 ILE QG2 . 50372 1
51 . 1 . 1 6 6 ILE HG23 H 1 0.875 0.002 . 1 . . . . . 5 ILE QG2 . 50372 1
52 . 1 . 1 6 6 ILE HD11 H 1 0.912 0.005 . 1 . . . . . 5 ILE QD1 . 50372 1
53 . 1 . 1 6 6 ILE HD12 H 1 0.912 0.005 . 1 . . . . . 5 ILE QD1 . 50372 1
54 . 1 . 1 6 6 ILE HD13 H 1 0.912 0.005 . 1 . . . . . 5 ILE QD1 . 50372 1
55 . 1 . 1 6 6 ILE CA C 13 64.340 0.000 . 1 . . . . . 5 ILE CA . 50372 1
56 . 1 . 1 6 6 ILE CB C 13 37.618 0.000 . 1 . . . . . 5 ILE CB . 50372 1
57 . 1 . 1 6 6 ILE CG1 C 13 29.089 0.000 . 1 . . . . . 5 ILE CG1 . 50372 1
58 . 1 . 1 6 6 ILE CG2 C 13 17.753 0.000 . 1 . . . . . 5 ILE CG2 . 50372 1
59 . 1 . 1 6 6 ILE CD1 C 13 13.322 0.000 . 1 . . . . . 5 ILE CD1 . 50372 1
60 . 1 . 1 7 7 ILE H H 1 7.601 0.001 . 1 . . . . . 6 ILE H . 50372 1
61 . 1 . 1 7 7 ILE HA H 1 3.672 0.003 . 1 . . . . . 6 ILE HA . 50372 1
62 . 1 . 1 7 7 ILE HB H 1 1.984 0.006 . 1 . . . . . 6 ILE HB . 50372 1
63 . 1 . 1 7 7 ILE HG12 H 1 1.207 0.003 . 2 . . . . . 6 ILE HG12 . 50372 1
64 . 1 . 1 7 7 ILE HG13 H 1 1.543 0.005 . 2 . . . . . 6 ILE HG13 . 50372 1
65 . 1 . 1 7 7 ILE HG21 H 1 0.865 0.005 . 1 . . . . . 6 ILE QG2 . 50372 1
66 . 1 . 1 7 7 ILE HG22 H 1 0.865 0.005 . 1 . . . . . 6 ILE QG2 . 50372 1
67 . 1 . 1 7 7 ILE HG23 H 1 0.865 0.005 . 1 . . . . . 6 ILE QG2 . 50372 1
68 . 1 . 1 7 7 ILE HD11 H 1 0.854 0.005 . 1 . . . . . 6 ILE QD1 . 50372 1
69 . 1 . 1 7 7 ILE HD12 H 1 0.854 0.005 . 1 . . . . . 6 ILE QD1 . 50372 1
70 . 1 . 1 7 7 ILE HD13 H 1 0.854 0.005 . 1 . . . . . 6 ILE QD1 . 50372 1
71 . 1 . 1 7 7 ILE CA C 13 64.076 0.000 . 1 . . . . . 6 ILE CA . 50372 1
72 . 1 . 1 7 7 ILE CB C 13 37.160 0.000 . 1 . . . . . 6 ILE CB . 50372 1
73 . 1 . 1 7 7 ILE CG1 C 13 28.522 0.000 . 1 . . . . . 6 ILE CG1 . 50372 1
74 . 1 . 1 7 7 ILE CG2 C 13 17.569 0.000 . 1 . . . . . 6 ILE CG2 . 50372 1
75 . 1 . 1 7 7 ILE CD1 C 13 12.311 0.000 . 1 . . . . . 6 ILE CD1 . 50372 1
76 . 1 . 1 8 8 TYR H H 1 8.081 0.001 . 1 . . . . . 7 TYR H . 50372 1
77 . 1 . 1 8 8 TYR HA H 1 4.116 0.004 . 1 . . . . . 7 TYR HA . 50372 1
78 . 1 . 1 8 8 TYR HB2 H 1 3.023 0.003 . 2 . . . . . 7 TYR HB2 . 50372 1
79 . 1 . 1 8 8 TYR HB3 H 1 3.068 0.004 . 2 . . . . . 7 TYR HB3 . 50372 1
80 . 1 . 1 8 8 TYR HD1 H 1 7.079 0.003 . 1 . . . . . 7 TYR HD1 . 50372 1
81 . 1 . 1 8 8 TYR HD2 H 1 7.079 0.003 . 1 . . . . . 7 TYR HD2 . 50372 1
82 . 1 . 1 8 8 TYR HE1 H 1 6.802 0.004 . 1 . . . . . 7 TYR HE1 . 50372 1
83 . 1 . 1 8 8 TYR HE2 H 1 6.802 0.004 . 1 . . . . . 7 TYR HE2 . 50372 1
84 . 1 . 1 8 8 TYR CA C 13 60.949 0.000 . 1 . . . . . 7 TYR CA . 50372 1
85 . 1 . 1 8 8 TYR CB C 13 38.125 0.012 . 1 . . . . . 7 TYR CB . 50372 1
86 . 1 . 1 8 8 TYR CD1 C 13 132.905 0.000 . 1 . . . . . 7 TYR CD1 . 50372 1
87 . 1 . 1 8 8 TYR CD2 C 13 132.905 0.000 . 1 . . . . . 7 TYR CD2 . 50372 1
88 . 1 . 1 8 8 TYR CE1 C 13 118.285 0.000 . 1 . . . . . 7 TYR CE1 . 50372 1
89 . 1 . 1 8 8 TYR CE2 C 13 118.285 0.000 . 1 . . . . . 7 TYR CE2 . 50372 1
90 . 1 . 1 9 9 ALA H H 1 7.891 0.002 . 1 . . . . . 8 ALA H . 50372 1
91 . 1 . 1 9 9 ALA HA H 1 4.077 0.004 . 1 . . . . . 8 ALA HA . 50372 1
92 . 1 . 1 9 9 ALA HB1 H 1 1.538 0.003 . 1 . . . . . 8 ALA HB . 50372 1
93 . 1 . 1 9 9 ALA HB2 H 1 1.538 0.003 . 1 . . . . . 8 ALA HB . 50372 1
94 . 1 . 1 9 9 ALA HB3 H 1 1.538 0.003 . 1 . . . . . 8 ALA HB . 50372 1
95 . 1 . 1 9 9 ALA CA C 13 54.729 0.000 . 1 . . . . . 8 ALA CA . 50372 1
96 . 1 . 1 9 9 ALA CB C 13 18.647 0.000 . 1 . . . . . 8 ALA CB . 50372 1
97 . 1 . 1 10 10 LEU H H 1 7.940 0.003 . 1 . . . . . 9 LEU H . 50372 1
98 . 1 . 1 10 10 LEU HA H 1 4.080 0.004 . 1 . . . . . 9 LEU HA . 50372 1
99 . 1 . 1 10 10 LEU HB2 H 1 1.519 0.010 . 2 . . . . . 9 LEU HB2 . 50372 1
100 . 1 . 1 10 10 LEU HB3 H 1 1.905 0.008 . 2 . . . . . 9 LEU HB3 . 50372 1
101 . 1 . 1 10 10 LEU HG H 1 1.916 0.004 . 1 . . . . . 9 LEU HG . 50372 1
102 . 1 . 1 10 10 LEU HD11 H 1 0.849 0.003 . 2 . . . . . 9 LEU QD1 . 50372 1
103 . 1 . 1 10 10 LEU HD12 H 1 0.849 0.003 . 2 . . . . . 9 LEU QD1 . 50372 1
104 . 1 . 1 10 10 LEU HD13 H 1 0.849 0.003 . 2 . . . . . 9 LEU QD1 . 50372 1
105 . 1 . 1 10 10 LEU HD21 H 1 0.875 0.001 . 2 . . . . . 9 LEU QD2 . 50372 1
106 . 1 . 1 10 10 LEU HD22 H 1 0.875 0.001 . 2 . . . . . 9 LEU QD2 . 50372 1
107 . 1 . 1 10 10 LEU HD23 H 1 0.875 0.001 . 2 . . . . . 9 LEU QD2 . 50372 1
108 . 1 . 1 10 10 LEU CA C 13 57.086 0.000 . 1 . . . . . 9 LEU CA . 50372 1
109 . 1 . 1 10 10 LEU CB C 13 42.160 0.015 . 1 . . . . . 9 LEU CB . 50372 1
110 . 1 . 1 10 10 LEU CG C 13 26.934 0.000 . 1 . . . . . 9 LEU CG . 50372 1
111 . 1 . 1 10 10 LEU CD1 C 13 23.530 0.000 . 1 . . . . . 9 LEU CD1 . 50372 1
112 . 1 . 1 10 10 LEU CD2 C 13 25.831 0.000 . 1 . . . . . 9 LEU CD2 . 50372 1
113 . 1 . 1 11 11 ARG H H 1 7.941 0.002 . 1 . . . . . 10 ARG H . 50372 1
114 . 1 . 1 11 11 ARG HA H 1 4.185 0.004 . 1 . . . . . 10 ARG HA . 50372 1
115 . 1 . 1 11 11 ARG HB2 H 1 1.801 0.003 . 2 . . . . . 10 ARG HB2 . 50372 1
116 . 1 . 1 11 11 ARG HB3 H 1 1.910 0.004 . 2 . . . . . 10 ARG HB3 . 50372 1
117 . 1 . 1 11 11 ARG HG2 H 1 1.665 0.003 . 2 . . . . . 10 ARG HG2 . 50372 1
118 . 1 . 1 11 11 ARG HG3 H 1 1.799 0.004 . 2 . . . . . 10 ARG HG3 . 50372 1
119 . 1 . 1 11 11 ARG HD2 H 1 3.086 0.006 . 2 . . . . . 10 ARG HD2 . 50372 1
120 . 1 . 1 11 11 ARG HD3 H 1 3.086 0.006 . 2 . . . . . 10 ARG HD3 . 50372 1
121 . 1 . 1 11 11 ARG HE H 1 7.452 0.001 . 1 . . . . . 10 ARG HE . 50372 1
122 . 1 . 1 11 11 ARG CA C 13 57.560 0.000 . 1 . . . . . 10 ARG CA . 50372 1
123 . 1 . 1 11 11 ARG CB C 13 30.777 0.018 . 1 . . . . . 10 ARG CB . 50372 1
124 . 1 . 1 11 11 ARG CG C 13 27.587 0.005 . 1 . . . . . 10 ARG CG . 50372 1
125 . 1 . 1 11 11 ARG CD C 13 43.796 0.000 . 1 . . . . . 10 ARG CD . 50372 1
126 . 1 . 1 12 12 SER H H 1 7.772 0.002 . 1 . . . . . 11 SER H . 50372 1
127 . 1 . 1 12 12 SER HA H 1 4.313 0.005 . 1 . . . . . 11 SER HA . 50372 1
128 . 1 . 1 12 12 SER HB2 H 1 3.792 0.003 . 2 . . . . . 11 SER HB2 . 50372 1
129 . 1 . 1 12 12 SER HB3 H 1 3.869 0.005 . 2 . . . . . 11 SER HB3 . 50372 1
130 . 1 . 1 12 12 SER CA C 13 59.318 0.000 . 1 . . . . . 11 SER CA . 50372 1
131 . 1 . 1 12 12 SER CB C 13 63.913 0.002 . 1 . . . . . 11 SER CB . 50372 1
132 . 1 . 1 13 13 LYS H H 1 7.980 0.004 . 1 . . . . . 12 LYS H . 50372 1
133 . 1 . 1 13 13 LYS HA H 1 4.233 0.001 . 1 . . . . . 12 LYS HA . 50372 1
134 . 1 . 1 13 13 LYS HB2 H 1 1.776 0.002 . 2 . . . . . 12 LYS HB2 . 50372 1
135 . 1 . 1 13 13 LYS HB3 H 1 1.856 0.003 . 2 . . . . . 12 LYS HB3 . 50372 1
136 . 1 . 1 13 13 LYS HG2 H 1 1.442 0.005 . 2 . . . . . 12 LYS HG2 . 50372 1
137 . 1 . 1 13 13 LYS HG3 H 1 1.472 0.003 . 2 . . . . . 12 LYS HG3 . 50372 1
138 . 1 . 1 13 13 LYS HD2 H 1 1.657 0.005 . 2 . . . . . 12 LYS HD2 . 50372 1
139 . 1 . 1 13 13 LYS HD3 H 1 1.657 0.005 . 2 . . . . . 12 LYS HD3 . 50372 1
140 . 1 . 1 13 13 LYS HE2 H 1 2.921 0.002 . 2 . . . . . 12 LYS HE2 . 50372 1
141 . 1 . 1 13 13 LYS HE3 H 1 2.921 0.002 . 2 . . . . . 12 LYS HE3 . 50372 1
142 . 1 . 1 13 13 LYS CA C 13 56.179 0.000 . 1 . . . . . 12 LYS CA . 50372 1
143 . 1 . 1 13 13 LYS CB C 13 32.785 0.011 . 1 . . . . . 12 LYS CB . 50372 1
144 . 1 . 1 13 13 LYS CG C 13 24.852 0.002 . 1 . . . . . 12 LYS CG . 50372 1
145 . 1 . 1 13 13 LYS CD C 13 28.941 0.000 . 1 . . . . . 12 LYS CD . 50372 1
146 . 1 . 1 13 13 LYS CE C 13 42.114 0.000 . 1 . . . . . 12 LYS CE . 50372 1
147 . 1 . 1 14 14 ASP H H 1 8.295 0.002 . 1 . . . . . 13 ASP H . 50372 1
148 . 1 . 1 14 14 ASP HA H 1 4.673 0.000 . 1 . . . . . 13 ASP HA . 50372 1
149 . 1 . 1 14 14 ASP HB2 H 1 2.542 0.006 . 2 . . . . . 13 ASP HB2 . 50372 1
150 . 1 . 1 14 14 ASP HB3 H 1 2.825 0.006 . 2 . . . . . 13 ASP HB3 . 50372 1
151 . 1 . 1 14 14 ASP CA C 13 53.916 0.000 . 1 . . . . . 13 ASP CA . 50372 1
152 . 1 . 1 14 14 ASP CB C 13 40.581 0.006 . 1 . . . . . 13 ASP CB . 50372 1
153 . 1 . 1 15 15 LEU H H 1 8.338 0.003 . 1 . . . . . 14 LEU H . 50372 1
154 . 1 . 1 15 15 LEU HA H 1 4.085 0.003 . 1 . . . . . 14 LEU HA . 50372 1
155 . 1 . 1 15 15 LEU HB2 H 1 1.595 0.004 . 2 . . . . . 14 LEU HB2 . 50372 1
156 . 1 . 1 15 15 LEU HB3 H 1 1.762 0.007 . 2 . . . . . 14 LEU HB3 . 50372 1
157 . 1 . 1 15 15 LEU HG H 1 1.767 0.002 . 1 . . . . . 14 LEU HG . 50372 1
158 . 1 . 1 15 15 LEU HD11 H 1 0.867 0.003 . 2 . . . . . 14 LEU QD1 . 50372 1
159 . 1 . 1 15 15 LEU HD12 H 1 0.867 0.003 . 2 . . . . . 14 LEU QD1 . 50372 1
160 . 1 . 1 15 15 LEU HD13 H 1 0.867 0.003 . 2 . . . . . 14 LEU QD1 . 50372 1
161 . 1 . 1 15 15 LEU HD21 H 1 0.960 0.002 . 2 . . . . . 14 LEU QD2 . 50372 1
162 . 1 . 1 15 15 LEU HD22 H 1 0.960 0.002 . 2 . . . . . 14 LEU QD2 . 50372 1
163 . 1 . 1 15 15 LEU HD23 H 1 0.960 0.002 . 2 . . . . . 14 LEU QD2 . 50372 1
164 . 1 . 1 15 15 LEU CA C 13 57.086 0.000 . 1 . . . . . 14 LEU CA . 50372 1
165 . 1 . 1 15 15 LEU CB C 13 42.067 0.005 . 1 . . . . . 14 LEU CB . 50372 1
166 . 1 . 1 15 15 LEU CG C 13 27.278 0.000 . 1 . . . . . 14 LEU CG . 50372 1
167 . 1 . 1 15 15 LEU CD1 C 13 23.937 0.000 . 1 . . . . . 14 LEU CD1 . 50372 1
168 . 1 . 1 15 15 LEU CD2 C 13 25.515 0.000 . 1 . . . . . 14 LEU CD2 . 50372 1
169 . 1 . 1 16 16 ARG H H 1 8.259 0.002 . 1 . . . . . 15 ARG H . 50372 1
170 . 1 . 1 16 16 ARG HA H 1 3.961 0.003 . 1 . . . . . 15 ARG HA . 50372 1
171 . 1 . 1 16 16 ARG HB2 H 1 1.768 0.004 . 2 . . . . . 15 ARG HB2 . 50372 1
172 . 1 . 1 16 16 ARG HB3 H 1 1.807 0.005 . 2 . . . . . 15 ARG HB3 . 50372 1
173 . 1 . 1 16 16 ARG HG2 H 1 1.529 0.004 . 2 . . . . . 15 ARG HG2 . 50372 1
174 . 1 . 1 16 16 ARG HG3 H 1 1.583 0.007 . 2 . . . . . 15 ARG HG3 . 50372 1
175 . 1 . 1 16 16 ARG HD2 H 1 3.175 0.004 . 2 . . . . . 15 ARG HD2 . 50372 1
176 . 1 . 1 16 16 ARG HD3 H 1 3.175 0.004 . 2 . . . . . 15 ARG HD3 . 50372 1
177 . 1 . 1 16 16 ARG HE H 1 7.706 0.002 . 1 . . . . . 15 ARG HE . 50372 1
178 . 1 . 1 16 16 ARG CA C 13 58.921 0.000 . 1 . . . . . 15 ARG CA . 50372 1
179 . 1 . 1 16 16 ARG CB C 13 29.855 0.004 . 1 . . . . . 15 ARG CB . 50372 1
180 . 1 . 1 16 16 ARG CG C 13 27.872 0.001 . 1 . . . . . 15 ARG CG . 50372 1
181 . 1 . 1 16 16 ARG CD C 13 43.495 0.000 . 1 . . . . . 15 ARG CD . 50372 1
182 . 1 . 1 17 17 HIS H H 1 7.868 0.003 . 1 . . . . . 16 HIS H . 50372 1
183 . 1 . 1 17 17 HIS HA H 1 4.509 0.006 . 1 . . . . . 16 HIS HA . 50372 1
184 . 1 . 1 17 17 HIS HB2 H 1 3.094 0.005 . 2 . . . . . 16 HIS HB2 . 50372 1
185 . 1 . 1 17 17 HIS HB3 H 1 3.278 0.005 . 2 . . . . . 16 HIS HB3 . 50372 1
186 . 1 . 1 17 17 HIS HD2 H 1 7.163 0.005 . 1 . . . . . 16 HIS HD2 . 50372 1
187 . 1 . 1 17 17 HIS HE1 H 1 8.207 0.005 . 1 . . . . . 16 HIS HE1 . 50372 1
188 . 1 . 1 17 17 HIS CA C 13 56.613 0.000 . 1 . . . . . 16 HIS CA . 50372 1
189 . 1 . 1 17 17 HIS CB C 13 29.480 0.026 . 1 . . . . . 16 HIS CB . 50372 1
190 . 1 . 1 17 17 HIS CD2 C 13 119.775 0.000 . 1 . . . . . 16 HIS CD2 . 50372 1
191 . 1 . 1 18 18 ALA H H 1 7.777 0.003 . 1 . . . . . 17 ALA H . 50372 1
192 . 1 . 1 18 18 ALA HA H 1 4.070 0.004 . 1 . . . . . 17 ALA HA . 50372 1
193 . 1 . 1 18 18 ALA HB1 H 1 1.261 0.003 . 1 . . . . . 17 ALA HB . 50372 1
194 . 1 . 1 18 18 ALA HB2 H 1 1.261 0.003 . 1 . . . . . 17 ALA HB . 50372 1
195 . 1 . 1 18 18 ALA HB3 H 1 1.261 0.003 . 1 . . . . . 17 ALA HB . 50372 1
196 . 1 . 1 18 18 ALA CA C 13 54.036 0.000 . 1 . . . . . 17 ALA CA . 50372 1
197 . 1 . 1 18 18 ALA CB C 13 18.844 0.000 . 1 . . . . . 17 ALA CB . 50372 1
198 . 1 . 1 19 19 PHE H H 1 7.866 0.002 . 1 . . . . . 18 PHE H . 50372 1
199 . 1 . 1 19 19 PHE HA H 1 4.498 0.002 . 1 . . . . . 18 PHE HA . 50372 1
200 . 1 . 1 19 19 PHE HB2 H 1 3.009 0.004 . 2 . . . . . 18 PHE HB2 . 50372 1
201 . 1 . 1 19 19 PHE HB3 H 1 3.232 0.004 . 2 . . . . . 18 PHE HB3 . 50372 1
202 . 1 . 1 19 19 PHE HD1 H 1 7.279 0.002 . 1 . . . . . 18 PHE HD1 . 50372 1
203 . 1 . 1 19 19 PHE HD2 H 1 7.279 0.002 . 1 . . . . . 18 PHE HD2 . 50372 1
204 . 1 . 1 19 19 PHE HE1 H 1 7.220 0.002 . 1 . . . . . 18 PHE HE1 . 50372 1
205 . 1 . 1 19 19 PHE HE2 H 1 7.220 0.002 . 1 . . . . . 18 PHE HE2 . 50372 1
206 . 1 . 1 19 19 PHE HZ H 1 7.118 0.007 . 1 . . . . . 18 PHE HZ . 50372 1
207 . 1 . 1 19 19 PHE CA C 13 58.141 0.000 . 1 . . . . . 18 PHE CA . 50372 1
208 . 1 . 1 19 19 PHE CB C 13 39.523 0.020 . 1 . . . . . 18 PHE CB . 50372 1
209 . 1 . 1 19 19 PHE CD1 C 13 132.042 0.000 . 1 . . . . . 18 PHE CD1 . 50372 1
210 . 1 . 1 19 19 PHE CD2 C 13 132.042 0.000 . 1 . . . . . 18 PHE CD2 . 50372 1
211 . 1 . 1 19 19 PHE CE1 C 13 130.977 0.000 . 1 . . . . . 18 PHE CE1 . 50372 1
212 . 1 . 1 19 19 PHE CE2 C 13 130.977 0.000 . 1 . . . . . 18 PHE CE2 . 50372 1
213 . 1 . 1 19 19 PHE CZ C 13 129.102 0.000 . 1 . . . . . 18 PHE CZ . 50372 1
214 . 1 . 1 20 20 ARG H H 1 7.844 0.003 . 1 . . . . . 19 ARG H . 50372 1
215 . 1 . 1 20 20 ARG HA H 1 4.221 0.005 . 1 . . . . . 19 ARG HA . 50372 1
216 . 1 . 1 20 20 ARG HB2 H 1 1.785 0.004 . 2 . . . . . 19 ARG HB2 . 50372 1
217 . 1 . 1 20 20 ARG HB3 H 1 1.893 0.004 . 2 . . . . . 19 ARG HB3 . 50372 1
218 . 1 . 1 20 20 ARG HG2 H 1 1.621 0.002 . 2 . . . . . 19 ARG HG2 . 50372 1
219 . 1 . 1 20 20 ARG HG3 H 1 1.663 0.004 . 2 . . . . . 19 ARG HG3 . 50372 1
220 . 1 . 1 20 20 ARG HD2 H 1 3.155 0.007 . 2 . . . . . 19 ARG HD2 . 50372 1
221 . 1 . 1 20 20 ARG HD3 H 1 3.155 0.007 . 2 . . . . . 19 ARG HD3 . 50372 1
222 . 1 . 1 20 20 ARG HE H 1 7.446 0.005 . 1 . . . . . 19 ARG HE . 50372 1
223 . 1 . 1 20 20 ARG CA C 13 56.293 0.000 . 1 . . . . . 19 ARG CA . 50372 1
224 . 1 . 1 20 20 ARG CB C 13 30.881 0.007 . 1 . . . . . 19 ARG CB . 50372 1
225 . 1 . 1 20 20 ARG CG C 13 27.328 0.021 . 1 . . . . . 19 ARG CG . 50372 1
226 . 1 . 1 20 20 ARG CD C 13 43.609 0.000 . 1 . . . . . 19 ARG CD . 50372 1
227 . 1 . 1 21 21 NH2 HN1 H 1 7.189 0.001 . 2 . . . . . 20 NH2 HN1 . 50372 1
228 . 1 . 1 21 21 NH2 HN2 H 1 7.385 0.001 . 2 . . . . . 20 NH2 HN2 . 50372 1
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