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 50376
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name barr1_tfe
_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' . . . 50376 1
3 '2D 1H-1H TOCSY' . . . 50376 1
4 '2D 1H-1H NOESY' . . . 50376 1
5 '2D 1H-13C HSQC aliphatic' . . . 50376 1
6 '2D 1H-13C HSQC aromatic' . . . 50376 1
7 '2D 1H-15N HSQC' . . . 50376 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 . . 50376 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 1.977 0.000 . 1 . . . . . 0 ACE H1 . 50376 1
2 . 1 . 1 1 1 ACE H2 H 1 1.977 0.000 . 1 . . . . . 0 ACE H2 . 50376 1
3 . 1 . 1 1 1 ACE H3 H 1 1.977 0.000 . 1 . . . . . 0 ACE H3 . 50376 1
4 . 1 . 1 1 1 ACE CH3 C 13 24.150 0.000 . 1 . . . . . 0 ACE CH3 . 50376 1
5 . 1 . 1 2 2 TYR H H 1 8.046 0.004 . 1 . . . . . 1 TYR H . 50376 1
6 . 1 . 1 2 2 TYR HA H 1 4.536 0.009 . 1 . . . . . 1 TYR HA . 50376 1
7 . 1 . 1 2 2 TYR HB2 H 1 3.090 0.002 . 2 . . . . . 1 TYR HB2 . 50376 1
8 . 1 . 1 2 2 TYR HB3 H 1 2.932 0.001 . 2 . . . . . 1 TYR HB3 . 50376 1
9 . 1 . 1 2 2 TYR HD1 H 1 7.156 0.005 . 1 . . . . . 1 TYR HD1 . 50376 1
10 . 1 . 1 2 2 TYR HD2 H 1 7.156 0.005 . 1 . . . . . 1 TYR HD2 . 50376 1
11 . 1 . 1 2 2 TYR HE1 H 1 6.858 0.002 . 1 . . . . . 1 TYR HE1 . 50376 1
12 . 1 . 1 2 2 TYR HE2 H 1 6.858 0.002 . 1 . . . . . 1 TYR HE2 . 50376 1
13 . 1 . 1 2 2 TYR CA C 13 58.425 0.000 . 1 . . . . . 1 TYR CA . 50376 1
14 . 1 . 1 2 2 TYR CB C 13 38.966 0.013 . 1 . . . . . 1 TYR CB . 50376 1
15 . 1 . 1 2 2 TYR CD1 C 13 133.016 0.018 . 1 . . . . . 1 TYR CD1 . 50376 1
16 . 1 . 1 2 2 TYR CD2 C 13 133.016 0.018 . 1 . . . . . 1 TYR CD2 . 50376 1
17 . 1 . 1 2 2 TYR CE1 C 13 118.118 0.002 . 1 . . . . . 1 TYR CE1 . 50376 1
18 . 1 . 1 2 2 TYR CE2 C 13 118.118 0.002 . 1 . . . . . 1 TYR CE2 . 50376 1
19 . 1 . 1 2 2 TYR N N 15 125.240 0.000 . 1 . . . . . 1 TYR N . 50376 1
20 . 1 . 1 3 3 GLY H H 1 8.502 0.003 . 1 . . . . . 2 GLY H . 50376 1
21 . 1 . 1 3 3 GLY HA2 H 1 4.011 0.006 . 2 . . . . . 2 GLY HA2 . 50376 1
22 . 1 . 1 3 3 GLY HA3 H 1 3.936 0.001 . 2 . . . . . 2 GLY HA3 . 50376 1
23 . 1 . 1 3 3 GLY CA C 13 45.206 0.001 . 1 . . . . . 2 GLY CA . 50376 1
24 . 1 . 1 3 3 GLY N N 15 110.572 0.000 . 1 . . . . . 2 GLY N . 50376 1
25 . 1 . 1 4 4 ARG H H 1 8.008 0.004 . 1 . . . . . 3 ARG H . 50376 1
26 . 1 . 1 4 4 ARG HA H 1 4.386 0.005 . 1 . . . . . 3 ARG HA . 50376 1
27 . 1 . 1 4 4 ARG HB2 H 1 1.980 0.005 . 2 . . . . . 3 ARG HB2 . 50376 1
28 . 1 . 1 4 4 ARG HB3 H 1 1.830 0.002 . 2 . . . . . 3 ARG HB3 . 50376 1
29 . 1 . 1 4 4 ARG HG2 H 1 1.677 0.003 . 2 . . . . . 3 ARG HG2 . 50376 1
30 . 1 . 1 4 4 ARG HG3 H 1 1.677 0.003 . 2 . . . . . 3 ARG HG3 . 50376 1
31 . 1 . 1 4 4 ARG HD2 H 1 3.229 0.001 . 2 . . . . . 3 ARG HD2 . 50376 1
32 . 1 . 1 4 4 ARG HD3 H 1 3.229 0.001 . 2 . . . . . 3 ARG HD3 . 50376 1
33 . 1 . 1 4 4 ARG HE H 1 7.810 0.003 . 1 . . . . . 3 ARG HE . 50376 1
34 . 1 . 1 4 4 ARG HH21 H 1 6.737 0.000 . 2 . . . . . 3 ARG HH21 . 50376 1
35 . 1 . 1 4 4 ARG HH22 H 1 6.737 0.000 . 2 . . . . . 3 ARG HH22 . 50376 1
36 . 1 . 1 4 4 ARG CA C 13 56.317 0.000 . 1 . . . . . 3 ARG CA . 50376 1
37 . 1 . 1 4 4 ARG CB C 13 30.850 0.004 . 1 . . . . . 3 ARG CB . 50376 1
38 . 1 . 1 4 4 ARG CG C 13 27.086 0.000 . 1 . . . . . 3 ARG CG . 50376 1
39 . 1 . 1 4 4 ARG CD C 13 43.144 0.000 . 1 . . . . . 3 ARG CD . 50376 1
40 . 1 . 1 4 4 ARG N N 15 119.746 0.000 . 1 . . . . . 3 ARG N . 50376 1
41 . 1 . 1 4 4 ARG NE N 15 84.509 0.000 . 1 . . . . . 3 ARG NE . 50376 1
42 . 1 . 1 5 5 GLU H H 1 8.911 0.003 . 1 . . . . . 4 GLU H . 50376 1
43 . 1 . 1 5 5 GLU HA H 1 4.289 0.005 . 1 . . . . . 4 GLU HA . 50376 1
44 . 1 . 1 5 5 GLU HB2 H 1 2.127 0.004 . 2 . . . . . 4 GLU HB2 . 50376 1
45 . 1 . 1 5 5 GLU HB3 H 1 2.038 0.003 . 2 . . . . . 4 GLU HB3 . 50376 1
46 . 1 . 1 5 5 GLU HG2 H 1 2.390 0.002 . 2 . . . . . 4 GLU HG2 . 50376 1
47 . 1 . 1 5 5 GLU HG3 H 1 2.390 0.002 . 2 . . . . . 4 GLU HG3 . 50376 1
48 . 1 . 1 5 5 GLU CA C 13 58.010 0.000 . 1 . . . . . 4 GLU CA . 50376 1
49 . 1 . 1 5 5 GLU CB C 13 29.395 0.002 . 1 . . . . . 4 GLU CB . 50376 1
50 . 1 . 1 5 5 GLU CG C 13 35.778 0.000 . 1 . . . . . 4 GLU CG . 50376 1
51 . 1 . 1 5 5 GLU N N 15 121.225 0.000 . 1 . . . . . 4 GLU N . 50376 1
52 . 1 . 1 6 6 ASP H H 1 8.341 0.003 . 1 . . . . . 5 ASP H . 50376 1
53 . 1 . 1 6 6 ASP HA H 1 4.534 0.006 . 1 . . . . . 5 ASP HA . 50376 1
54 . 1 . 1 6 6 ASP HB2 H 1 2.737 0.003 . 2 . . . . . 5 ASP HB2 . 50376 1
55 . 1 . 1 6 6 ASP HB3 H 1 2.737 0.003 . 2 . . . . . 5 ASP HB3 . 50376 1
56 . 1 . 1 6 6 ASP CA C 13 55.072 0.000 . 1 . . . . . 5 ASP CA . 50376 1
57 . 1 . 1 6 6 ASP CB C 13 40.181 0.000 . 1 . . . . . 5 ASP CB . 50376 1
58 . 1 . 1 6 6 ASP N N 15 118.697 0.000 . 1 . . . . . 5 ASP N . 50376 1
59 . 1 . 1 7 7 LEU H H 1 7.838 0.003 . 1 . . . . . 6 LEU H . 50376 1
60 . 1 . 1 7 7 LEU HA H 1 4.261 0.004 . 1 . . . . . 6 LEU HA . 50376 1
61 . 1 . 1 7 7 LEU HB2 H 1 1.752 0.002 . 2 . . . . . 6 LEU HB2 . 50376 1
62 . 1 . 1 7 7 LEU HB3 H 1 1.601 0.002 . 2 . . . . . 6 LEU HB3 . 50376 1
63 . 1 . 1 7 7 LEU HG H 1 1.679 0.005 . 1 . . . . . 6 LEU HG . 50376 1
64 . 1 . 1 7 7 LEU HD11 H 1 0.861 0.001 . 2 . . . . . 6 LEU QD1 . 50376 1
65 . 1 . 1 7 7 LEU HD12 H 1 0.861 0.001 . 2 . . . . . 6 LEU QD1 . 50376 1
66 . 1 . 1 7 7 LEU HD13 H 1 0.861 0.001 . 2 . . . . . 6 LEU QD1 . 50376 1
67 . 1 . 1 7 7 LEU HD21 H 1 0.930 0.002 . 2 . . . . . 6 LEU QD2 . 50376 1
68 . 1 . 1 7 7 LEU HD22 H 1 0.930 0.002 . 2 . . . . . 6 LEU QD2 . 50376 1
69 . 1 . 1 7 7 LEU HD23 H 1 0.930 0.002 . 2 . . . . . 6 LEU QD2 . 50376 1
70 . 1 . 1 7 7 LEU CA C 13 56.258 0.000 . 1 . . . . . 6 LEU CA . 50376 1
71 . 1 . 1 7 7 LEU CB C 13 42.191 0.013 . 1 . . . . . 6 LEU CB . 50376 1
72 . 1 . 1 7 7 LEU CG C 13 26.909 0.000 . 1 . . . . . 6 LEU CG . 50376 1
73 . 1 . 1 7 7 LEU CD1 C 13 22.870 0.000 . 1 . . . . . 6 LEU CD1 . 50376 1
74 . 1 . 1 7 7 LEU CD2 C 13 24.469 0.000 . 1 . . . . . 6 LEU CD2 . 50376 1
75 . 1 . 1 7 7 LEU N N 15 120.164 0.000 . 1 . . . . . 6 LEU N . 50376 1
76 . 1 . 1 8 8 ASP H H 1 8.177 0.003 . 1 . . . . . 7 ASP H . 50376 1
77 . 1 . 1 8 8 ASP HA H 1 4.625 0.011 . 1 . . . . . 7 ASP HA . 50376 1
78 . 1 . 1 8 8 ASP HB2 H 1 2.796 0.003 . 2 . . . . . 7 ASP HB2 . 50376 1
79 . 1 . 1 8 8 ASP HB3 H 1 2.796 0.003 . 2 . . . . . 7 ASP HB3 . 50376 1
80 . 1 . 1 8 8 ASP CA C 13 55.495 0.000 . 1 . . . . . 7 ASP CA . 50376 1
81 . 1 . 1 8 8 ASP CB C 13 40.032 0.000 . 1 . . . . . 7 ASP CB . 50376 1
82 . 1 . 1 8 8 ASP N N 15 120.704 0.000 . 1 . . . . . 7 ASP N . 50376 1
83 . 1 . 1 9 9 VAL H H 1 7.886 0.003 . 1 . . . . . 8 VAL H . 50376 1
84 . 1 . 1 9 9 VAL HA H 1 3.846 0.002 . 1 . . . . . 8 VAL HA . 50376 1
85 . 1 . 1 9 9 VAL HB H 1 2.191 0.002 . 1 . . . . . 8 VAL HB . 50376 1
86 . 1 . 1 9 9 VAL HG11 H 1 0.978 0.005 . 2 . . . . . 8 VAL QG1 . 50376 1
87 . 1 . 1 9 9 VAL HG12 H 1 0.978 0.005 . 2 . . . . . 8 VAL QG1 . 50376 1
88 . 1 . 1 9 9 VAL HG13 H 1 0.978 0.005 . 2 . . . . . 8 VAL QG1 . 50376 1
89 . 1 . 1 9 9 VAL HG21 H 1 1.056 0.002 . 2 . . . . . 8 VAL QG2 . 50376 1
90 . 1 . 1 9 9 VAL HG22 H 1 1.056 0.002 . 2 . . . . . 8 VAL QG2 . 50376 1
91 . 1 . 1 9 9 VAL HG23 H 1 1.056 0.002 . 2 . . . . . 8 VAL QG2 . 50376 1
92 . 1 . 1 9 9 VAL CA C 13 65.280 0.000 . 1 . . . . . 8 VAL CA . 50376 1
93 . 1 . 1 9 9 VAL CB C 13 31.950 0.000 . 1 . . . . . 8 VAL CB . 50376 1
94 . 1 . 1 9 9 VAL CG1 C 13 20.649 0.000 . 1 . . . . . 8 VAL CG1 . 50376 1
95 . 1 . 1 9 9 VAL CG2 C 13 21.155 0.000 . 1 . . . . . 8 VAL CG2 . 50376 1
96 . 1 . 1 9 9 VAL N N 15 119.805 0.000 . 1 . . . . . 8 VAL N . 50376 1
97 . 1 . 1 10 10 LEU H H 1 8.049 0.005 . 1 . . . . . 9 LEU H . 50376 1
98 . 1 . 1 10 10 LEU HA H 1 4.172 0.003 . 1 . . . . . 9 LEU HA . 50376 1
99 . 1 . 1 10 10 LEU HB2 H 1 1.834 0.006 . 2 . . . . . 9 LEU HB2 . 50376 1
100 . 1 . 1 10 10 LEU HB3 H 1 1.633 0.007 . 2 . . . . . 9 LEU HB3 . 50376 1
101 . 1 . 1 10 10 LEU HG H 1 1.730 0.006 . 1 . . . . . 9 LEU HG . 50376 1
102 . 1 . 1 10 10 LEU HD11 H 1 0.897 0.003 . 2 . . . . . 9 LEU QD1 . 50376 1
103 . 1 . 1 10 10 LEU HD12 H 1 0.897 0.003 . 2 . . . . . 9 LEU QD1 . 50376 1
104 . 1 . 1 10 10 LEU HD13 H 1 0.897 0.003 . 2 . . . . . 9 LEU QD1 . 50376 1
105 . 1 . 1 10 10 LEU HD21 H 1 0.931 0.001 . 2 . . . . . 9 LEU QD2 . 50376 1
106 . 1 . 1 10 10 LEU HD22 H 1 0.931 0.001 . 2 . . . . . 9 LEU QD2 . 50376 1
107 . 1 . 1 10 10 LEU HD23 H 1 0.931 0.001 . 2 . . . . . 9 LEU QD2 . 50376 1
108 . 1 . 1 10 10 LEU CA C 13 57.352 0.000 . 1 . . . . . 9 LEU CA . 50376 1
109 . 1 . 1 10 10 LEU CB C 13 41.709 0.002 . 1 . . . . . 9 LEU CB . 50376 1
110 . 1 . 1 10 10 LEU CG C 13 26.995 0.000 . 1 . . . . . 9 LEU CG . 50376 1
111 . 1 . 1 10 10 LEU CD1 C 13 22.781 0.000 . 1 . . . . . 9 LEU CD1 . 50376 1
112 . 1 . 1 10 10 LEU CD2 C 13 24.469 0.000 . 1 . . . . . 9 LEU CD2 . 50376 1
113 . 1 . 1 10 10 LEU N N 15 121.336 0.000 . 1 . . . . . 9 LEU N . 50376 1
114 . 1 . 1 11 11 GLY H H 1 8.148 0.003 . 1 . . . . . 10 GLY H . 50376 1
115 . 1 . 1 11 11 GLY HA2 H 1 3.944 0.003 . 2 . . . . . 10 GLY HA2 . 50376 1
116 . 1 . 1 11 11 GLY HA3 H 1 3.898 0.002 . 2 . . . . . 10 GLY HA3 . 50376 1
117 . 1 . 1 11 11 GLY CA C 13 46.721 0.001 . 1 . . . . . 10 GLY CA . 50376 1
118 . 1 . 1 11 11 GLY N N 15 106.627 0.000 . 1 . . . . . 10 GLY N . 50376 1
119 . 1 . 1 12 12 LEU H H 1 8.043 0.003 . 1 . . . . . 11 LEU H . 50376 1
120 . 1 . 1 12 12 LEU HA H 1 4.226 0.003 . 1 . . . . . 11 LEU HA . 50376 1
121 . 1 . 1 12 12 LEU HB2 H 1 1.858 0.007 . 2 . . . . . 11 LEU HB2 . 50376 1
122 . 1 . 1 12 12 LEU HB3 H 1 1.619 0.004 . 2 . . . . . 11 LEU HB3 . 50376 1
123 . 1 . 1 12 12 LEU HG H 1 1.771 0.019 . 1 . . . . . 11 LEU HG . 50376 1
124 . 1 . 1 12 12 LEU HD11 H 1 0.902 0.007 . 2 . . . . . 11 LEU QD1 . 50376 1
125 . 1 . 1 12 12 LEU HD12 H 1 0.902 0.007 . 2 . . . . . 11 LEU QD1 . 50376 1
126 . 1 . 1 12 12 LEU HD13 H 1 0.902 0.007 . 2 . . . . . 11 LEU QD1 . 50376 1
127 . 1 . 1 12 12 LEU HD21 H 1 0.933 0.004 . 2 . . . . . 11 LEU QD2 . 50376 1
128 . 1 . 1 12 12 LEU HD22 H 1 0.933 0.004 . 2 . . . . . 11 LEU QD2 . 50376 1
129 . 1 . 1 12 12 LEU HD23 H 1 0.933 0.004 . 2 . . . . . 11 LEU QD2 . 50376 1
130 . 1 . 1 12 12 LEU CA C 13 57.015 0.000 . 1 . . . . . 11 LEU CA . 50376 1
131 . 1 . 1 12 12 LEU CB C 13 42.225 0.021 . 1 . . . . . 11 LEU CB . 50376 1
132 . 1 . 1 12 12 LEU CG C 13 26.845 0.000 . 1 . . . . . 11 LEU CG . 50376 1
133 . 1 . 1 12 12 LEU CD1 C 13 22.786 0.000 . 1 . . . . . 11 LEU CD1 . 50376 1
134 . 1 . 1 12 12 LEU CD2 C 13 24.437 0.000 . 1 . . . . . 11 LEU CD2 . 50376 1
135 . 1 . 1 12 12 LEU N N 15 120.586 0.000 . 1 . . . . . 11 LEU N . 50376 1
136 . 1 . 1 13 13 THR H H 1 7.999 0.003 . 1 . . . . . 12 THR H . 50376 1
137 . 1 . 1 13 13 THR HA H 1 4.099 0.002 . 1 . . . . . 12 THR HA . 50376 1
138 . 1 . 1 13 13 THR HB H 1 4.175 0.002 . 1 . . . . . 12 THR HB . 50376 1
139 . 1 . 1 13 13 THR HG21 H 1 1.092 0.001 . 1 . . . . . 12 THR QG2 . 50376 1
140 . 1 . 1 13 13 THR HG22 H 1 1.092 0.001 . 1 . . . . . 12 THR QG2 . 50376 1
141 . 1 . 1 13 13 THR HG23 H 1 1.092 0.001 . 1 . . . . . 12 THR QG2 . 50376 1
142 . 1 . 1 13 13 THR CA C 13 64.296 0.000 . 1 . . . . . 12 THR CA . 50376 1
143 . 1 . 1 13 13 THR CB C 13 69.568 0.000 . 1 . . . . . 12 THR CB . 50376 1
144 . 1 . 1 13 13 THR CG2 C 13 20.775 0.000 . 1 . . . . . 12 THR CG2 . 50376 1
145 . 1 . 1 13 13 THR N N 15 112.449 0.000 . 1 . . . . . 12 THR N . 50376 1
146 . 1 . 1 14 14 PHE H H 1 7.957 0.003 . 1 . . . . . 13 PHE H . 50376 1
147 . 1 . 1 14 14 PHE HA H 1 4.612 0.004 . 1 . . . . . 13 PHE HA . 50376 1
148 . 1 . 1 14 14 PHE HB2 H 1 3.245 0.003 . 2 . . . . . 13 PHE HB2 . 50376 1
149 . 1 . 1 14 14 PHE HB3 H 1 3.118 0.003 . 2 . . . . . 13 PHE HB3 . 50376 1
150 . 1 . 1 14 14 PHE HD1 H 1 7.302 0.012 . 1 . . . . . 13 PHE HD1 . 50376 1
151 . 1 . 1 14 14 PHE HD2 H 1 7.302 0.012 . 1 . . . . . 13 PHE HD2 . 50376 1
152 . 1 . 1 14 14 PHE HE1 H 1 7.331 0.003 . 1 . . . . . 13 PHE HE1 . 50376 1
153 . 1 . 1 14 14 PHE HE2 H 1 7.331 0.003 . 1 . . . . . 13 PHE HE2 . 50376 1
154 . 1 . 1 14 14 PHE HZ H 1 7.275 0.000 . 1 . . . . . 13 PHE HZ . 50376 1
155 . 1 . 1 14 14 PHE CA C 13 58.794 0.000 . 1 . . . . . 13 PHE CA . 50376 1
156 . 1 . 1 14 14 PHE CB C 13 39.043 0.001 . 1 . . . . . 13 PHE CB . 50376 1
157 . 1 . 1 14 14 PHE CD1 C 13 131.569 0.020 . 1 . . . . . 13 PHE CD1 . 50376 1
158 . 1 . 1 14 14 PHE CD2 C 13 131.569 0.020 . 1 . . . . . 13 PHE CD2 . 50376 1
159 . 1 . 1 14 14 PHE CE1 C 13 131.246 0.000 . 1 . . . . . 13 PHE CE1 . 50376 1
160 . 1 . 1 14 14 PHE CE2 C 13 131.246 0.000 . 1 . . . . . 13 PHE CE2 . 50376 1
161 . 1 . 1 14 14 PHE CZ C 13 129.687 0.004 . 1 . . . . . 13 PHE CZ . 50376 1
162 . 1 . 1 14 14 PHE N N 15 120.363 0.000 . 1 . . . . . 13 PHE N . 50376 1
163 . 1 . 1 15 15 ARG H H 1 7.877 0.003 . 1 . . . . . 14 ARG H . 50376 1
164 . 1 . 1 15 15 ARG HA H 1 4.284 0.002 . 1 . . . . . 14 ARG HA . 50376 1
165 . 1 . 1 15 15 ARG HB2 H 1 1.950 0.003 . 2 . . . . . 14 ARG HB2 . 50376 1
166 . 1 . 1 15 15 ARG HB3 H 1 1.833 0.001 . 2 . . . . . 14 ARG HB3 . 50376 1
167 . 1 . 1 15 15 ARG HG2 H 1 1.741 0.003 . 2 . . . . . 14 ARG HG2 . 50376 1
168 . 1 . 1 15 15 ARG HG3 H 1 1.675 0.003 . 2 . . . . . 14 ARG HG3 . 50376 1
169 . 1 . 1 15 15 ARG HD2 H 1 3.218 0.001 . 2 . . . . . 14 ARG HD2 . 50376 1
170 . 1 . 1 15 15 ARG HD3 H 1 3.218 0.001 . 2 . . . . . 14 ARG HD3 . 50376 1
171 . 1 . 1 15 15 ARG HE H 1 7.226 0.005 . 1 . . . . . 14 ARG HE . 50376 1
172 . 1 . 1 15 15 ARG CA C 13 56.279 0.000 . 1 . . . . . 14 ARG CA . 50376 1
173 . 1 . 1 15 15 ARG CB C 13 30.721 0.017 . 1 . . . . . 14 ARG CB . 50376 1
174 . 1 . 1 15 15 ARG CG C 13 27.232 0.004 . 1 . . . . . 14 ARG CG . 50376 1
175 . 1 . 1 15 15 ARG CD C 13 43.262 0.000 . 1 . . . . . 14 ARG CD . 50376 1
176 . 1 . 1 15 15 ARG N N 15 120.712 0.000 . 1 . . . . . 14 ARG N . 50376 1
177 . 1 . 1 15 15 ARG NE N 15 84.313 0.000 . 1 . . . . . 14 ARG NE . 50376 1
178 . 1 . 1 16 16 NH2 HN1 H 1 6.902 0.005 . 2 . . . . . 15 NH2 HN1 . 50376 1
179 . 1 . 1 16 16 NH2 HN2 H 1 7.024 0.004 . 2 . . . . . 15 NH2 HN2 . 50376 1
180 . 1 . 1 16 16 NH2 N N 15 105.400 0.000 . 2 . . . . . 15 NH2 N . 50376 1
stop_
save_