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 50382
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name CB1_5C
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_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' . . . 50382 2
3 '2D 1H-1H TOCSY' . . . 50382 2
4 '2D 1H-1H NOESY' . . . 50382 2
5 '2D 1H-13C HSQC aliphatic' . . . 50382 2
6 '2D 1H-13C HSQC aromatic' . . . 50382 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
2 $software_2 . . 50382 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 . 2 . 2 1 1 ACE H1 H 1 2.067 0.008 . 1 . . . . . 0 ACE H1 . 50382 2
2 . 2 . 2 1 1 ACE H2 H 1 2.067 0.008 . 1 . . . . . 0 ACE H2 . 50382 2
3 . 2 . 2 1 1 ACE H3 H 1 2.067 0.008 . 1 . . . . . 0 ACE H3 . 50382 2
4 . 2 . 2 1 1 ACE CH3 C 13 24.380 0.000 . 1 . . . . . 0 ACE CH3 . 50382 2
5 . 2 . 2 2 2 THR H H 1 8.348 0.004 . 1 . . . . . 1 THR H . 50382 2
6 . 2 . 2 2 2 THR HA H 1 4.269 0.002 . 1 . . . . . 1 THR HA . 50382 2
7 . 2 . 2 2 2 THR HB H 1 4.112 0.006 . 1 . . . . . 1 THR HB . 50382 2
8 . 2 . 2 2 2 THR HG21 H 1 1.182 0.002 . 1 . . . . . 1 THR QG2 . 50382 2
9 . 2 . 2 2 2 THR HG22 H 1 1.182 0.002 . 1 . . . . . 1 THR QG2 . 50382 2
10 . 2 . 2 2 2 THR HG23 H 1 1.182 0.002 . 1 . . . . . 1 THR QG2 . 50382 2
11 . 2 . 2 2 2 THR CA C 13 62.309 0.000 . 1 . . . . . 1 THR CA . 50382 2
12 . 2 . 2 2 2 THR CB C 13 69.914 0.000 . 1 . . . . . 1 THR CB . 50382 2
13 . 2 . 2 2 2 THR CG2 C 13 21.674 0.000 . 1 . . . . . 1 THR CG2 . 50382 2
14 . 2 . 2 3 3 VAL H H 1 8.406 0.003 . 1 . . . . . 2 VAL H . 50382 2
15 . 2 . 2 3 3 VAL HA H 1 4.107 0.003 . 1 . . . . . 2 VAL HA . 50382 2
16 . 2 . 2 3 3 VAL HB H 1 2.022 0.007 . 1 . . . . . 2 VAL HB . 50382 2
17 . 2 . 2 3 3 VAL HG11 H 1 0.928 0.005 . 2 . . . . . 2 VAL QG1 . 50382 2
18 . 2 . 2 3 3 VAL HG12 H 1 0.928 0.005 . 2 . . . . . 2 VAL QG1 . 50382 2
19 . 2 . 2 3 3 VAL HG13 H 1 0.928 0.005 . 2 . . . . . 2 VAL QG1 . 50382 2
20 . 2 . 2 3 3 VAL HG21 H 1 0.897 0.008 . 2 . . . . . 2 VAL QG2 . 50382 2
21 . 2 . 2 3 3 VAL HG22 H 1 0.897 0.008 . 2 . . . . . 2 VAL QG2 . 50382 2
22 . 2 . 2 3 3 VAL HG23 H 1 0.897 0.008 . 2 . . . . . 2 VAL QG2 . 50382 2
23 . 2 . 2 3 3 VAL CA C 13 62.077 0.000 . 1 . . . . . 2 VAL CA . 50382 2
24 . 2 . 2 3 3 VAL CB C 13 32.932 0.000 . 1 . . . . . 2 VAL CB . 50382 2
25 . 2 . 2 3 3 VAL CG1 C 13 20.491 0.000 . 1 . . . . . 2 VAL CG1 . 50382 2
26 . 2 . 2 3 3 VAL CG2 C 13 21.058 0.000 . 1 . . . . . 2 VAL CG2 . 50382 2
27 . 2 . 2 4 4 ASN H H 1 8.728 0.001 . 1 . . . . . 3 ASN H . 50382 2
28 . 2 . 2 4 4 ASN HB2 H 1 2.849 0.004 . 2 . . . . . 3 ASN HB2 . 50382 2
29 . 2 . 2 4 4 ASN HB3 H 1 2.717 0.005 . 2 . . . . . 3 ASN HB3 . 50382 2
30 . 2 . 2 4 4 ASN HD21 H 1 7.059 0.003 . 2 . . . . . 3 ASN HD21 . 50382 2
31 . 2 . 2 4 4 ASN HD22 H 1 7.792 0.003 . 2 . . . . . 3 ASN HD22 . 50382 2
32 . 2 . 2 4 4 ASN CB C 13 38.718 0.016 . 1 . . . . . 3 ASN CB . 50382 2
33 . 2 . 2 5 5 PRO HA H 1 4.389 0.003 . 1 . . . . . 4 PRO HA . 50382 2
34 . 2 . 2 5 5 PRO HB2 H 1 2.291 0.005 . 2 . . . . . 4 PRO HB2 . 50382 2
35 . 2 . 2 5 5 PRO HB3 H 1 1.912 0.007 . 2 . . . . . 4 PRO HB3 . 50382 2
36 . 2 . 2 5 5 PRO HG2 H 1 2.021 0.005 . 2 . . . . . 4 PRO HG2 . 50382 2
37 . 2 . 2 5 5 PRO HG3 H 1 2.021 0.005 . 2 . . . . . 4 PRO HG3 . 50382 2
38 . 2 . 2 5 5 PRO HD2 H 1 3.871 0.005 . 2 . . . . . 4 PRO HD2 . 50382 2
39 . 2 . 2 5 5 PRO HD3 H 1 3.766 0.008 . 2 . . . . . 4 PRO HD3 . 50382 2
40 . 2 . 2 5 5 PRO CA C 13 63.541 0.000 . 1 . . . . . 4 PRO CA . 50382 2
41 . 2 . 2 5 5 PRO CB C 13 32.288 0.006 . 1 . . . . . 4 PRO CB . 50382 2
42 . 2 . 2 5 5 PRO CG C 13 27.316 0.000 . 1 . . . . . 4 PRO CG . 50382 2
43 . 2 . 2 5 5 PRO CD C 13 50.854 0.002 . 1 . . . . . 4 PRO CD . 50382 2
44 . 2 . 2 6 6 ILE H H 1 8.232 0.003 . 1 . . . . . 5 ILE H . 50382 2
45 . 2 . 2 6 6 ILE HA H 1 3.967 0.005 . 1 . . . . . 5 ILE HA . 50382 2
46 . 2 . 2 6 6 ILE HB H 1 1.760 0.003 . 1 . . . . . 5 ILE HB . 50382 2
47 . 2 . 2 6 6 ILE HG12 H 1 1.503 0.003 . 2 . . . . . 5 ILE HG12 . 50382 2
48 . 2 . 2 6 6 ILE HG13 H 1 1.158 0.006 . 2 . . . . . 5 ILE HG13 . 50382 2
49 . 2 . 2 6 6 ILE HG21 H 1 0.688 0.005 . 1 . . . . . 5 ILE QG2 . 50382 2
50 . 2 . 2 6 6 ILE HG22 H 1 0.688 0.005 . 1 . . . . . 5 ILE QG2 . 50382 2
51 . 2 . 2 6 6 ILE HG23 H 1 0.688 0.005 . 1 . . . . . 5 ILE QG2 . 50382 2
52 . 2 . 2 6 6 ILE HD11 H 1 0.855 0.004 . 1 . . . . . 5 ILE QD1 . 50382 2
53 . 2 . 2 6 6 ILE HD12 H 1 0.855 0.004 . 1 . . . . . 5 ILE QD1 . 50382 2
54 . 2 . 2 6 6 ILE HD13 H 1 0.855 0.004 . 1 . . . . . 5 ILE QD1 . 50382 2
55 . 2 . 2 6 6 ILE CA C 13 61.829 0.000 . 1 . . . . . 5 ILE CA . 50382 2
56 . 2 . 2 6 6 ILE CB C 13 38.248 0.000 . 1 . . . . . 5 ILE CB . 50382 2
57 . 2 . 2 6 6 ILE CG1 C 13 27.870 0.006 . 1 . . . . . 5 ILE CG1 . 50382 2
58 . 2 . 2 6 6 ILE CG2 C 13 17.281 0.000 . 1 . . . . . 5 ILE CG2 . 50382 2
59 . 2 . 2 6 6 ILE CD1 C 13 12.698 0.000 . 1 . . . . . 5 ILE CD1 . 50382 2
60 . 2 . 2 7 7 ILE H H 1 8.050 0.005 . 1 . . . . . 6 ILE H . 50382 2
61 . 2 . 2 7 7 ILE HA H 1 4.053 0.006 . 1 . . . . . 6 ILE HA . 50382 2
62 . 2 . 2 7 7 ILE HB H 1 1.812 0.005 . 1 . . . . . 6 ILE HB . 50382 2
63 . 2 . 2 7 7 ILE HG12 H 1 1.386 0.005 . 2 . . . . . 6 ILE HG12 . 50382 2
64 . 2 . 2 7 7 ILE HG13 H 1 1.166 0.006 . 2 . . . . . 6 ILE HG13 . 50382 2
65 . 2 . 2 7 7 ILE HG21 H 1 0.825 0.009 . 1 . . . . . 6 ILE QG2 . 50382 2
66 . 2 . 2 7 7 ILE HG22 H 1 0.825 0.009 . 1 . . . . . 6 ILE QG2 . 50382 2
67 . 2 . 2 7 7 ILE HG23 H 1 0.825 0.009 . 1 . . . . . 6 ILE QG2 . 50382 2
68 . 2 . 2 7 7 ILE HD11 H 1 0.811 0.002 . 1 . . . . . 6 ILE QD1 . 50382 2
69 . 2 . 2 7 7 ILE HD12 H 1 0.811 0.002 . 1 . . . . . 6 ILE QD1 . 50382 2
70 . 2 . 2 7 7 ILE HD13 H 1 0.811 0.002 . 1 . . . . . 6 ILE QD1 . 50382 2
71 . 2 . 2 7 7 ILE CA C 13 61.134 0.000 . 1 . . . . . 6 ILE CA . 50382 2
72 . 2 . 2 7 7 ILE CB C 13 38.246 0.000 . 1 . . . . . 6 ILE CB . 50382 2
73 . 2 . 2 7 7 ILE CG1 C 13 27.233 0.004 . 1 . . . . . 6 ILE CG1 . 50382 2
74 . 2 . 2 7 7 ILE CG2 C 13 17.357 0.000 . 1 . . . . . 6 ILE CG2 . 50382 2
75 . 2 . 2 7 7 ILE CD1 C 13 12.359 0.000 . 1 . . . . . 6 ILE CD1 . 50382 2
76 . 2 . 2 8 8 TYR H H 1 8.371 0.003 . 1 . . . . . 7 TYR H . 50382 2
77 . 2 . 2 8 8 TYR HA H 1 4.431 0.009 . 1 . . . . . 7 TYR HA . 50382 2
78 . 2 . 2 8 8 TYR HB2 H 1 3.043 0.006 . 2 . . . . . 7 TYR HB2 . 50382 2
79 . 2 . 2 8 8 TYR HB3 H 1 2.903 0.004 . 2 . . . . . 7 TYR HB3 . 50382 2
80 . 2 . 2 8 8 TYR HD1 H 1 7.120 0.006 . 1 . . . . . 7 TYR HD1 . 50382 2
81 . 2 . 2 8 8 TYR HD2 H 1 7.120 0.006 . 1 . . . . . 7 TYR HD2 . 50382 2
82 . 2 . 2 8 8 TYR HE1 H 1 6.805 0.002 . 1 . . . . . 7 TYR HE1 . 50382 2
83 . 2 . 2 8 8 TYR HE2 H 1 6.805 0.002 . 1 . . . . . 7 TYR HE2 . 50382 2
84 . 2 . 2 8 8 TYR CA C 13 58.762 0.000 . 1 . . . . . 7 TYR CA . 50382 2
85 . 2 . 2 8 8 TYR CB C 13 38.779 0.031 . 1 . . . . . 7 TYR CB . 50382 2
86 . 2 . 2 8 8 TYR CD1 C 13 133.170 0.000 . 1 . . . . . 7 TYR CD1 . 50382 2
87 . 2 . 2 8 8 TYR CD2 C 13 133.170 0.000 . 1 . . . . . 7 TYR CD2 . 50382 2
88 . 2 . 2 8 8 TYR CE1 C 13 118.227 0.000 . 1 . . . . . 7 TYR CE1 . 50382 2
89 . 2 . 2 8 8 TYR CE2 C 13 118.227 0.000 . 1 . . . . . 7 TYR CE2 . 50382 2
90 . 2 . 2 9 9 ALA H H 1 8.255 0.004 . 1 . . . . . 8 ALA H . 50382 2
91 . 2 . 2 9 9 ALA HA H 1 4.234 0.008 . 1 . . . . . 8 ALA HA . 50382 2
92 . 2 . 2 9 9 ALA HB1 H 1 1.389 0.007 . 1 . . . . . 8 ALA HB . 50382 2
93 . 2 . 2 9 9 ALA HB2 H 1 1.389 0.007 . 1 . . . . . 8 ALA HB . 50382 2
94 . 2 . 2 9 9 ALA HB3 H 1 1.389 0.007 . 1 . . . . . 8 ALA HB . 50382 2
95 . 2 . 2 9 9 ALA CA C 13 52.884 0.000 . 1 . . . . . 8 ALA CA . 50382 2
96 . 2 . 2 9 9 ALA CB C 13 19.126 0.000 . 1 . . . . . 8 ALA CB . 50382 2
97 . 2 . 2 10 10 LEU H H 1 8.133 0.006 . 1 . . . . . 9 LEU H . 50382 2
98 . 2 . 2 10 10 LEU HA H 1 4.281 0.002 . 1 . . . . . 9 LEU HA . 50382 2
99 . 2 . 2 10 10 LEU HB2 H 1 1.597 0.004 . 2 . . . . . 9 LEU HB2 . 50382 2
100 . 2 . 2 10 10 LEU HB3 H 1 1.678 0.004 . 2 . . . . . 9 LEU HB3 . 50382 2
101 . 2 . 2 10 10 LEU HG H 1 1.663 0.002 . 1 . . . . . 9 LEU HG . 50382 2
102 . 2 . 2 10 10 LEU HD11 H 1 0.938 0.003 . 2 . . . . . 9 LEU QD1 . 50382 2
103 . 2 . 2 10 10 LEU HD12 H 1 0.938 0.003 . 2 . . . . . 9 LEU QD1 . 50382 2
104 . 2 . 2 10 10 LEU HD13 H 1 0.938 0.003 . 2 . . . . . 9 LEU QD1 . 50382 2
105 . 2 . 2 10 10 LEU HD21 H 1 0.887 0.001 . 2 . . . . . 9 LEU QD2 . 50382 2
106 . 2 . 2 10 10 LEU HD22 H 1 0.887 0.001 . 2 . . . . . 9 LEU QD2 . 50382 2
107 . 2 . 2 10 10 LEU HD23 H 1 0.887 0.001 . 2 . . . . . 9 LEU QD2 . 50382 2
108 . 2 . 2 10 10 LEU CA C 13 55.517 0.000 . 1 . . . . . 9 LEU CA . 50382 2
109 . 2 . 2 10 10 LEU CB C 13 42.192 0.006 . 1 . . . . . 9 LEU CB . 50382 2
110 . 2 . 2 10 10 LEU CG C 13 27.020 0.000 . 1 . . . . . 9 LEU CG . 50382 2
111 . 2 . 2 10 10 LEU CD1 C 13 24.971 0.000 . 1 . . . . . 9 LEU CD1 . 50382 2
112 . 2 . 2 10 10 LEU CD2 C 13 23.501 0.000 . 1 . . . . . 9 LEU CD2 . 50382 2
113 . 2 . 2 11 11 ARG H H 1 8.322 0.006 . 1 . . . . . 10 ARG H . 50382 2
114 . 2 . 2 11 11 ARG HA H 1 4.318 0.003 . 1 . . . . . 10 ARG HA . 50382 2
115 . 2 . 2 11 11 ARG HB2 H 1 1.868 0.002 . 2 . . . . . 10 ARG HB2 . 50382 2
116 . 2 . 2 11 11 ARG HB3 H 1 1.779 0.005 . 2 . . . . . 10 ARG HB3 . 50382 2
117 . 2 . 2 11 11 ARG HG2 H 1 1.650 0.002 . 2 . . . . . 10 ARG HG2 . 50382 2
118 . 2 . 2 11 11 ARG HG3 H 1 1.650 0.002 . 2 . . . . . 10 ARG HG3 . 50382 2
119 . 2 . 2 11 11 ARG HD2 H 1 3.154 0.006 . 2 . . . . . 10 ARG HD2 . 50382 2
120 . 2 . 2 11 11 ARG HD3 H 1 3.154 0.006 . 2 . . . . . 10 ARG HD3 . 50382 2
121 . 2 . 2 11 11 ARG HE H 1 7.254 0.003 . 1 . . . . . 10 ARG HE . 50382 2
122 . 2 . 2 11 11 ARG CA C 13 56.280 0.000 . 1 . . . . . 10 ARG CA . 50382 2
123 . 2 . 2 11 11 ARG CB C 13 30.644 0.000 . 1 . . . . . 10 ARG CB . 50382 2
124 . 2 . 2 11 11 ARG CG C 13 27.016 0.000 . 1 . . . . . 10 ARG CG . 50382 2
125 . 2 . 2 11 11 ARG CD C 13 43.312 0.000 . 1 . . . . . 10 ARG CD . 50382 2
126 . 2 . 2 12 12 SER H H 1 8.331 0.001 . 1 . . . . . 11 SER H . 50382 2
127 . 2 . 2 12 12 SER HA H 1 4.340 0.002 . 1 . . . . . 11 SER HA . 50382 2
128 . 2 . 2 12 12 SER HB2 H 1 3.895 0.006 . 2 . . . . . 11 SER HB2 . 50382 2
129 . 2 . 2 12 12 SER HB3 H 1 3.823 0.003 . 2 . . . . . 11 SER HB3 . 50382 2
130 . 2 . 2 12 12 SER CA C 13 58.800 0.000 . 1 . . . . . 11 SER CA . 50382 2
131 . 2 . 2 12 12 SER CB C 13 63.670 0.005 . 1 . . . . . 11 SER CB . 50382 2
132 . 2 . 2 13 13 LYS H H 1 8.430 0.002 . 1 . . . . . 12 LYS H . 50382 2
133 . 2 . 2 13 13 LYS HA H 1 4.255 0.005 . 1 . . . . . 12 LYS HA . 50382 2
134 . 2 . 2 13 13 LYS HB2 H 1 1.846 0.004 . 2 . . . . . 12 LYS HB2 . 50382 2
135 . 2 . 2 13 13 LYS HB3 H 1 1.776 0.006 . 2 . . . . . 12 LYS HB3 . 50382 2
136 . 2 . 2 13 13 LYS HG2 H 1 1.451 0.000 . 2 . . . . . 12 LYS HG2 . 50382 2
137 . 2 . 2 13 13 LYS HG3 H 1 1.391 0.000 . 2 . . . . . 12 LYS HG3 . 50382 2
138 . 2 . 2 13 13 LYS HD2 H 1 1.672 0.000 . 2 . . . . . 12 LYS HD2 . 50382 2
139 . 2 . 2 13 13 LYS HD3 H 1 1.672 0.000 . 2 . . . . . 12 LYS HD3 . 50382 2
140 . 2 . 2 13 13 LYS HE2 H 1 2.974 0.000 . 2 . . . . . 12 LYS HE2 . 50382 2
141 . 2 . 2 13 13 LYS HE3 H 1 2.974 0.000 . 2 . . . . . 12 LYS HE3 . 50382 2
142 . 2 . 2 13 13 LYS CA C 13 56.999 0.000 . 1 . . . . . 12 LYS CA . 50382 2
143 . 2 . 2 13 13 LYS CB C 13 32.834 0.002 . 1 . . . . . 12 LYS CB . 50382 2
144 . 2 . 2 13 13 LYS CG C 13 24.816 0.001 . 1 . . . . . 12 LYS CG . 50382 2
145 . 2 . 2 13 13 LYS CD C 13 29.156 0.000 . 1 . . . . . 12 LYS CD . 50382 2
146 . 2 . 2 13 13 LYS CE C 13 42.096 0.000 . 1 . . . . . 12 LYS CE . 50382 2
147 . 2 . 2 14 14 ASP H H 1 8.323 0.005 . 1 . . . . . 13 ASP H . 50382 2
148 . 2 . 2 14 14 ASP HA H 1 4.595 0.005 . 1 . . . . . 13 ASP HA . 50382 2
149 . 2 . 2 14 14 ASP HB2 H 1 2.778 0.003 . 2 . . . . . 13 ASP HB2 . 50382 2
150 . 2 . 2 14 14 ASP HB3 H 1 2.607 0.007 . 2 . . . . . 13 ASP HB3 . 50382 2
151 . 2 . 2 14 14 ASP CA C 13 54.612 0.000 . 1 . . . . . 13 ASP CA . 50382 2
152 . 2 . 2 14 14 ASP CB C 13 41.083 0.005 . 1 . . . . . 13 ASP CB . 50382 2
153 . 2 . 2 15 15 LEU H H 1 8.357 0.005 . 1 . . . . . 14 LEU H . 50382 2
154 . 2 . 2 15 15 LEU HA H 1 4.279 0.004 . 1 . . . . . 14 LEU HA . 50382 2
155 . 2 . 2 15 15 LEU HB2 H 1 1.582 0.006 . 2 . . . . . 14 LEU HB2 . 50382 2
156 . 2 . 2 15 15 LEU HB3 H 1 1.655 0.008 . 2 . . . . . 14 LEU HB3 . 50382 2
157 . 2 . 2 15 15 LEU HG H 1 1.640 0.002 . 1 . . . . . 14 LEU HG . 50382 2
158 . 2 . 2 15 15 LEU HD11 H 1 0.933 0.000 . 2 . . . . . 14 LEU QD1 . 50382 2
159 . 2 . 2 15 15 LEU HD12 H 1 0.933 0.000 . 2 . . . . . 14 LEU QD1 . 50382 2
160 . 2 . 2 15 15 LEU HD13 H 1 0.933 0.000 . 2 . . . . . 14 LEU QD1 . 50382 2
161 . 2 . 2 15 15 LEU HD21 H 1 0.853 0.001 . 2 . . . . . 14 LEU QD2 . 50382 2
162 . 2 . 2 15 15 LEU HD22 H 1 0.853 0.001 . 2 . . . . . 14 LEU QD2 . 50382 2
163 . 2 . 2 15 15 LEU HD23 H 1 0.853 0.001 . 2 . . . . . 14 LEU QD2 . 50382 2
164 . 2 . 2 15 15 LEU CA C 13 55.517 0.000 . 1 . . . . . 14 LEU CA . 50382 2
165 . 2 . 2 15 15 LEU CB C 13 42.023 0.001 . 1 . . . . . 14 LEU CB . 50382 2
166 . 2 . 2 15 15 LEU CG C 13 27.008 0.000 . 1 . . . . . 14 LEU CG . 50382 2
167 . 2 . 2 15 15 LEU CD1 C 13 25.133 0.000 . 1 . . . . . 14 LEU CD1 . 50382 2
168 . 2 . 2 15 15 LEU CD2 C 13 23.111 0.000 . 1 . . . . . 14 LEU CD2 . 50382 2
169 . 2 . 2 16 16 ARG H H 1 8.300 0.008 . 1 . . . . . 15 ARG H . 50382 2
170 . 2 . 2 16 16 ARG HA H 1 4.192 0.006 . 1 . . . . . 15 ARG HA . 50382 2
171 . 2 . 2 16 16 ARG HB2 H 1 1.761 0.002 . 2 . . . . . 15 ARG HB2 . 50382 2
172 . 2 . 2 16 16 ARG HB3 H 1 1.761 0.002 . 2 . . . . . 15 ARG HB3 . 50382 2
173 . 2 . 2 16 16 ARG HG2 H 1 1.559 0.005 . 2 . . . . . 15 ARG HG2 . 50382 2
174 . 2 . 2 16 16 ARG HG3 H 1 1.609 0.005 . 2 . . . . . 15 ARG HG3 . 50382 2
175 . 2 . 2 16 16 ARG HD2 H 1 3.163 0.005 . 2 . . . . . 15 ARG HD2 . 50382 2
176 . 2 . 2 16 16 ARG HD3 H 1 3.163 0.005 . 2 . . . . . 15 ARG HD3 . 50382 2
177 . 2 . 2 16 16 ARG HE H 1 7.432 0.002 . 1 . . . . . 15 ARG HE . 50382 2
178 . 2 . 2 16 16 ARG CA C 13 56.742 0.000 . 1 . . . . . 15 ARG CA . 50382 2
179 . 2 . 2 16 16 ARG CB C 13 30.438 0.000 . 1 . . . . . 15 ARG CB . 50382 2
180 . 2 . 2 16 16 ARG CG C 13 27.066 0.002 . 1 . . . . . 15 ARG CG . 50382 2
181 . 2 . 2 16 16 ARG CD C 13 43.346 0.000 . 1 . . . . . 15 ARG CD . 50382 2
182 . 2 . 2 17 17 HIS H H 1 8.327 0.001 . 1 . . . . . 16 HIS H . 50382 2
183 . 2 . 2 17 17 HIS HA H 1 4.622 0.004 . 1 . . . . . 16 HIS HA . 50382 2
184 . 2 . 2 17 17 HIS HB2 H 1 3.210 0.002 . 2 . . . . . 16 HIS HB2 . 50382 2
185 . 2 . 2 17 17 HIS HB3 H 1 3.080 0.000 . 2 . . . . . 16 HIS HB3 . 50382 2
186 . 2 . 2 17 17 HIS HD2 H 1 7.179 0.003 . 1 . . . . . 16 HIS HD2 . 50382 2
187 . 2 . 2 17 17 HIS HE1 H 1 8.352 0.001 . 1 . . . . . 16 HIS HE1 . 50382 2
188 . 2 . 2 17 17 HIS CA C 13 55.532 0.000 . 1 . . . . . 16 HIS CA . 50382 2
189 . 2 . 2 17 17 HIS CB C 13 29.577 0.007 . 1 . . . . . 16 HIS CB . 50382 2
190 . 2 . 2 17 17 HIS CD2 C 13 120.060 0.000 . 1 . . . . . 16 HIS CD2 . 50382 2
191 . 2 . 2 17 17 HIS CE1 C 13 136.995 0.000 . 1 . . . . . 16 HIS CE1 . 50382 2
192 . 2 . 2 18 18 ALA H H 1 8.324 0.001 . 1 . . . . . 17 ALA H . 50382 2
193 . 2 . 2 18 18 ALA HA H 1 4.273 0.007 . 1 . . . . . 17 ALA HA . 50382 2
194 . 2 . 2 18 18 ALA HB1 H 1 1.321 0.007 . 1 . . . . . 17 ALA HB . 50382 2
195 . 2 . 2 18 18 ALA HB2 H 1 1.321 0.007 . 1 . . . . . 17 ALA HB . 50382 2
196 . 2 . 2 18 18 ALA HB3 H 1 1.321 0.007 . 1 . . . . . 17 ALA HB . 50382 2
197 . 2 . 2 18 18 ALA CA C 13 52.577 0.000 . 1 . . . . . 17 ALA CA . 50382 2
198 . 2 . 2 18 18 ALA CB C 13 19.199 0.000 . 1 . . . . . 17 ALA CB . 50382 2
199 . 2 . 2 19 19 PHE H H 1 8.477 0.003 . 1 . . . . . 18 PHE H . 50382 2
200 . 2 . 2 19 19 PHE HA H 1 4.573 0.004 . 1 . . . . . 18 PHE HA . 50382 2
201 . 2 . 2 19 19 PHE HB2 H 1 3.126 0.005 . 2 . . . . . 18 PHE HB2 . 50382 2
202 . 2 . 2 19 19 PHE HB3 H 1 3.065 0.003 . 2 . . . . . 18 PHE HB3 . 50382 2
203 . 2 . 2 19 19 PHE HD1 H 1 7.282 0.003 . 1 . . . . . 18 PHE HD1 . 50382 2
204 . 2 . 2 19 19 PHE HD2 H 1 7.282 0.003 . 1 . . . . . 18 PHE HD2 . 50382 2
205 . 2 . 2 19 19 PHE HE1 H 1 7.362 0.007 . 1 . . . . . 18 PHE HE1 . 50382 2
206 . 2 . 2 19 19 PHE HE2 H 1 7.362 0.007 . 1 . . . . . 18 PHE HE2 . 50382 2
207 . 2 . 2 19 19 PHE HZ H 1 7.302 0.000 . 1 . . . . . 18 PHE HZ . 50382 2
208 . 2 . 2 19 19 PHE CA C 13 58.111 0.000 . 1 . . . . . 18 PHE CA . 50382 2
209 . 2 . 2 19 19 PHE CB C 13 39.605 0.007 . 1 . . . . . 18 PHE CB . 50382 2
210 . 2 . 2 19 19 PHE CD1 C 13 132.001 0.000 . 1 . . . . . 18 PHE CD1 . 50382 2
211 . 2 . 2 19 19 PHE CD2 C 13 132.001 0.000 . 1 . . . . . 18 PHE CD2 . 50382 2
212 . 2 . 2 19 19 PHE CE1 C 13 131.653 0.000 . 1 . . . . . 18 PHE CE1 . 50382 2
213 . 2 . 2 19 19 PHE CE2 C 13 131.653 0.000 . 1 . . . . . 18 PHE CE2 . 50382 2
214 . 2 . 2 19 19 PHE CZ C 13 130.113 0.000 . 1 . . . . . 18 PHE CZ . 50382 2
215 . 2 . 2 20 20 ARG H H 1 8.365 0.005 . 1 . . . . . 19 ARG H . 50382 2
216 . 2 . 2 20 20 ARG HA H 1 4.212 0.004 . 1 . . . . . 19 ARG HA . 50382 2
217 . 2 . 2 20 20 ARG HB2 H 1 1.642 0.003 . 2 . . . . . 19 ARG HB2 . 50382 2
218 . 2 . 2 20 20 ARG HB3 H 1 1.796 0.003 . 2 . . . . . 19 ARG HB3 . 50382 2
219 . 2 . 2 20 20 ARG HG2 H 1 1.557 0.004 . 2 . . . . . 19 ARG HG2 . 50382 2
220 . 2 . 2 20 20 ARG HG3 H 1 1.557 0.004 . 2 . . . . . 19 ARG HG3 . 50382 2
221 . 2 . 2 20 20 ARG HD2 H 1 3.148 0.001 . 2 . . . . . 19 ARG HD2 . 50382 2
222 . 2 . 2 20 20 ARG HD3 H 1 3.148 0.001 . 2 . . . . . 19 ARG HD3 . 50382 2
223 . 2 . 2 20 20 ARG HE H 1 7.216 0.003 . 1 . . . . . 19 ARG HE . 50382 2
224 . 2 . 2 20 20 ARG CA C 13 55.717 0.000 . 1 . . . . . 19 ARG CA . 50382 2
225 . 2 . 2 20 20 ARG CB C 13 30.760 0.013 . 1 . . . . . 19 ARG CB . 50382 2
226 . 2 . 2 20 20 ARG CG C 13 27.064 0.000 . 1 . . . . . 19 ARG CG . 50382 2
227 . 2 . 2 20 20 ARG CD C 13 43.312 0.000 . 1 . . . . . 19 ARG CD . 50382 2
228 . 2 . 2 21 21 NH2 HN1 H 1 6.910 0.004 . 2 . . . . . 20 NH2 HN1 . 50382 2
229 . 2 . 2 21 21 NH2 HN2 H 1 7.136 0.004 . 2 . . . . . 20 NH2 HN2 . 50382 2
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