Content for NMR-STAR saveframe, "chaxapeptin_assignment"
save_chaxapeptin_assignment
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chaxapeptin_assignment
_Assigned_chem_shift_list.Entry_ID 25704
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $conditions_chaxapeptin
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $IUPAC_referenced
_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
1 '1D 1H' . . . 25704 1
2 '1D 13C' . . . 25704 1
3 '1D DEPTQ' . . . 25704 1
4 '2D 1H-15N HSQC' . . . 25704 1
5 '2D 1H-1H COSY' . . . 25704 1
6 '2D 1H-1H TOCSY' . . . 25704 1
7 '2D HMBC' . . . 25704 1
8 '2D 1H-1H NOESY' . . . 25704 1
9 '3D 1H-15N TOCSY' . . . 25704 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_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.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 GLY HA2 H 1 3.940 0.020 . 2 . . . A 1 GLY HA2 . 25704 1
2 . 1 1 1 1 GLY HA3 H 1 3.250 0.020 . 2 . . . A 1 GLY HA3 . 25704 1
3 . 1 1 1 1 GLY H H 1 9.230 0.020 . 1 . . . A 1 GLY H1 . 25704 1
4 . 1 1 1 1 GLY C C 13 169.860 0.400 . 1 . . . A 1 GLY C . 25704 1
5 . 1 1 1 1 GLY CA C 13 44.250 0.400 . 1 . . . A 1 GLY CA . 25704 1
6 . 1 1 1 1 GLY N N 15 113.930 0.400 . 1 . . . A 1 GLY N . 25704 1
7 . 1 1 2 2 PHE H H 1 8.550 0.020 . 1 . . . A 2 PHE H . 25704 1
8 . 1 1 2 2 PHE HA H 1 3.770 0.020 . 1 . . . A 2 PHE HA . 25704 1
9 . 1 1 2 2 PHE HB2 H 1 3.330 0.020 . 2 . . . A 2 PHE HB2 . 25704 1
10 . 1 1 2 2 PHE HB3 H 1 3.330 0.020 . 2 . . . A 2 PHE HB3 . 25704 1
11 . 1 1 2 2 PHE HD1 H 1 7.040 0.020 . 1 . . . A 2 PHE HD1 . 25704 1
12 . 1 1 2 2 PHE HD2 H 1 7.040 0.020 . 1 . . . A 2 PHE HD2 . 25704 1
13 . 1 1 2 2 PHE HE1 H 1 7.270 0.020 . 1 . . . A 2 PHE HE1 . 25704 1
14 . 1 1 2 2 PHE HE2 H 1 7.270 0.020 . 1 . . . A 2 PHE HE2 . 25704 1
15 . 1 1 2 2 PHE HZ H 1 7.160 0.020 . 1 . . . A 2 PHE HZ . 25704 1
16 . 1 1 2 2 PHE C C 13 170.630 0.400 . 1 . . . A 2 PHE C . 25704 1
17 . 1 1 2 2 PHE CA C 13 56.730 0.400 . 1 . . . A 2 PHE CA . 25704 1
18 . 1 1 2 2 PHE CB C 13 33.800 0.400 . 1 . . . A 2 PHE CB . 25704 1
19 . 1 1 2 2 PHE CG C 13 139.440 0.400 . 1 . . . A 2 PHE CG . 25704 1
20 . 1 1 2 2 PHE CD1 C 13 128.970 0.400 . 1 . . . A 2 PHE CD1 . 25704 1
21 . 1 1 2 2 PHE CD2 C 13 128.970 0.400 . 1 . . . A 2 PHE CD2 . 25704 1
22 . 1 1 2 2 PHE CE1 C 13 128.300 0.400 . 1 . . . A 2 PHE CE1 . 25704 1
23 . 1 1 2 2 PHE CE2 C 13 128.300 0.400 . 1 . . . A 2 PHE CE2 . 25704 1
24 . 1 1 2 2 PHE CZ C 13 126.120 0.400 . 1 . . . A 2 PHE CZ . 25704 1
25 . 1 1 2 2 PHE N N 15 108.900 0.400 . 1 . . . A 2 PHE N . 25704 1
26 . 1 1 3 3 GLY H H 1 7.740 0.020 . 1 . . . A 3 GLY H . 25704 1
27 . 1 1 3 3 GLY HA2 H 1 4.290 0.020 . 2 . . . A 3 GLY HA2 . 25704 1
28 . 1 1 3 3 GLY HA3 H 1 3.070 0.020 . 2 . . . A 3 GLY HA3 . 25704 1
29 . 1 1 3 3 GLY C C 13 167.560 0.400 . 1 . . . A 3 GLY C . 25704 1
30 . 1 1 3 3 GLY CA C 13 43.630 0.400 . 1 . . . A 3 GLY CA . 25704 1
31 . 1 1 3 3 GLY N N 15 103.960 0.400 . 1 . . . A 3 GLY N . 25704 1
32 . 1 1 4 4 SER H H 1 7.410 0.020 . 1 . . . A 4 SER H . 25704 1
33 . 1 1 4 4 SER HA H 1 4.410 0.020 . 1 . . . A 4 SER HA . 25704 1
34 . 1 1 4 4 SER HB2 H 1 3.700 0.020 . 2 . . . A 4 SER HB2 . 25704 1
35 . 1 1 4 4 SER HB3 H 1 3.520 0.020 . 2 . . . A 4 SER HB3 . 25704 1
36 . 1 1 4 4 SER HG H 1 4.860 0.020 . 1 . . . A 4 SER HG . 25704 1
37 . 1 1 4 4 SER C C 13 169.300 0.400 . 1 . . . A 4 SER C . 25704 1
38 . 1 1 4 4 SER CA C 13 55.710 0.400 . 1 . . . A 4 SER CA . 25704 1
39 . 1 1 4 4 SER CB C 13 62.800 0.400 . 1 . . . A 4 SER CB . 25704 1
40 . 1 1 4 4 SER N N 15 112.710 0.400 . 1 . . . A 4 SER N . 25704 1
41 . 1 1 5 5 LYS H H 1 8.720 0.020 . 1 . . . A 5 LYS H . 25704 1
42 . 1 1 5 5 LYS HA H 1 4.910 0.020 . 1 . . . A 5 LYS HA . 25704 1
43 . 1 1 5 5 LYS HB2 H 1 1.630 0.020 . 2 . . . A 5 LYS HB2 . 25704 1
44 . 1 1 5 5 LYS HB3 H 1 1.490 0.020 . 2 . . . A 5 LYS HB3 . 25704 1
45 . 1 1 5 5 LYS HG2 H 1 1.310 0.020 . 2 . . . A 5 LYS HG2 . 25704 1
46 . 1 1 5 5 LYS HG3 H 1 1.220 0.020 . 2 . . . A 5 LYS HG3 . 25704 1
47 . 1 1 5 5 LYS HD2 H 1 1.490 0.020 . 2 . . . A 5 LYS HD2 . 25704 1
48 . 1 1 5 5 LYS HD3 H 1 1.230 0.020 . 2 . . . A 5 LYS HD3 . 25704 1
49 . 1 1 5 5 LYS HE2 H 1 2.750 0.020 . 2 . . . A 5 LYS HE2 . 25704 1
50 . 1 1 5 5 LYS HE3 H 1 2.600 0.020 . 2 . . . A 5 LYS HE3 . 25704 1
51 . 1 1 5 5 LYS HZ1 H 1 8.220 0.020 . 1 . . . A 5 LYS HZ1 . 25704 1
52 . 1 1 5 5 LYS HZ2 H 1 4.810 0.020 . 1 . . . A 5 LYS HZ2 . 25704 1
53 . 1 1 5 5 LYS HZ3 H 1 8.220 0.020 . 1 . . . A 5 LYS HZ3 . 25704 1
54 . 1 1 5 5 LYS C C 13 171.240 0.400 . 1 . . . A 5 LYS C . 25704 1
55 . 1 1 5 5 LYS CA C 13 49.500 0.400 . 1 . . . A 5 LYS CA . 25704 1
56 . 1 1 5 5 LYS CB C 13 32.550 0.400 . 1 . . . A 5 LYS CB . 25704 1
57 . 1 1 5 5 LYS CG C 13 19.910 0.400 . 1 . . . A 5 LYS CG . 25704 1
58 . 1 1 5 5 LYS CD C 13 26.400 0.400 . 1 . . . A 5 LYS CD . 25704 1
59 . 1 1 5 5 LYS CE C 13 37.940 0.400 . 1 . . . A 5 LYS CE . 25704 1
60 . 1 1 5 5 LYS N N 15 121.230 0.400 . 1 . . . A 5 LYS N . 25704 1
61 . 1 1 5 5 LYS NZ N 15 115.260 0.400 . 1 . . . A 5 LYS NZ . 25704 1
62 . 1 1 6 6 PRO HA H 1 4.170 0.020 . 1 . . . A 6 PRO HA . 25704 1
63 . 1 1 6 6 PRO HB2 H 1 2.140 0.020 . 2 . . . A 6 PRO HB2 . 25704 1
64 . 1 1 6 6 PRO HB3 H 1 1.880 0.020 . 2 . . . A 6 PRO HB3 . 25704 1
65 . 1 1 6 6 PRO HG2 H 1 2.150 0.020 . 2 . . . A 6 PRO HG2 . 25704 1
66 . 1 1 6 6 PRO HG3 H 1 1.810 0.020 . 2 . . . A 6 PRO HG3 . 25704 1
67 . 1 1 6 6 PRO HD2 H 1 3.790 0.020 . 2 . . . A 6 PRO HD2 . 25704 1
68 . 1 1 6 6 PRO HD3 H 1 3.600 0.020 . 2 . . . A 6 PRO HD3 . 25704 1
69 . 1 1 6 6 PRO C C 13 171.660 0.400 . 1 . . . A 6 PRO C . 25704 1
70 . 1 1 6 6 PRO CA C 13 57.770 0.400 . 1 . . . A 6 PRO CA . 25704 1
71 . 1 1 6 6 PRO CB C 13 29.030 0.400 . 1 . . . A 6 PRO CB . 25704 1
72 . 1 1 6 6 PRO CG C 13 25.680 0.400 . 1 . . . A 6 PRO CG . 25704 1
73 . 1 1 6 6 PRO CD C 13 47.300 0.400 . 1 . . . A 6 PRO CD . 25704 1
74 . 1 1 7 7 LEU H H 1 6.700 0.020 . 1 . . . A 7 LEU H . 25704 1
75 . 1 1 7 7 LEU HA H 1 4.550 0.020 . 1 . . . A 7 LEU HA . 25704 1
76 . 1 1 7 7 LEU HB2 H 1 1.810 0.020 . 2 . . . A 7 LEU HB2 . 25704 1
77 . 1 1 7 7 LEU HB3 H 1 1.580 0.020 . 2 . . . A 7 LEU HB3 . 25704 1
78 . 1 1 7 7 LEU HG H 1 1.630 0.020 . 1 . . . A 7 LEU HG . 25704 1
79 . 1 1 7 7 LEU HD11 H 1 0.790 0.020 . 1 . . . A 7 LEU HD11 . 25704 1
80 . 1 1 7 7 LEU HD12 H 1 0.790 0.020 . 1 . . . A 7 LEU HD12 . 25704 1
81 . 1 1 7 7 LEU HD13 H 1 0.790 0.020 . 1 . . . A 7 LEU HD13 . 25704 1
82 . 1 1 7 7 LEU HD21 H 1 0.720 0.020 . 1 . . . A 7 LEU HD21 . 25704 1
83 . 1 1 7 7 LEU HD22 H 1 0.720 0.020 . 1 . . . A 7 LEU HD22 . 25704 1
84 . 1 1 7 7 LEU HD23 H 1 0.720 0.020 . 1 . . . A 7 LEU HD23 . 25704 1
85 . 1 1 7 7 LEU C C 13 170.700 0.400 . 1 . . . A 7 LEU C . 25704 1
86 . 1 1 7 7 LEU CA C 13 53.650 0.400 . 1 . . . A 7 LEU CA . 25704 1
87 . 1 1 7 7 LEU CB C 13 43.770 0.400 . 1 . . . A 7 LEU CB . 25704 1
88 . 1 1 7 7 LEU CG C 13 23.240 0.400 . 1 . . . A 7 LEU CG . 25704 1
89 . 1 1 7 7 LEU CD1 C 13 22.850 0.400 . 1 . . . A 7 LEU CD1 . 25704 1
90 . 1 1 7 7 LEU CD2 C 13 23.410 0.400 . 1 . . . A 7 LEU CD2 . 25704 1
91 . 1 1 7 7 LEU N N 15 118.170 0.400 . 1 . . . A 7 LEU N . 25704 1
92 . 1 1 8 8 ASP H H 1 8.960 0.020 . 1 . . . A 8 ASP H . 25704 1
93 . 1 1 8 8 ASP HA H 1 4.620 0.020 . 1 . . . A 8 ASP HA . 25704 1
94 . 1 1 8 8 ASP HB2 H 1 3.400 0.020 . 2 . . . A 8 ASP HB2 . 25704 1
95 . 1 1 8 8 ASP HB3 H 1 2.630 0.020 . 2 . . . A 8 ASP HB3 . 25704 1
96 . 1 1 8 8 ASP C C 13 170.810 0.400 . 1 . . . A 8 ASP C . 25704 1
97 . 1 1 8 8 ASP CA C 13 49.060 0.400 . 1 . . . A 8 ASP CA . 25704 1
98 . 1 1 8 8 ASP CB C 13 36.120 0.400 . 1 . . . A 8 ASP CB . 25704 1
99 . 1 1 8 8 ASP CG C 13 169.910 0.400 . 1 . . . A 8 ASP CG . 25704 1
100 . 1 1 8 8 ASP N N 15 117.880 0.400 . 1 . . . A 8 ASP N . 25704 1
101 . 1 1 9 9 SER H H 1 8.340 0.020 . 1 . . . A 9 SER H . 25704 1
102 . 1 1 9 9 SER HA H 1 3.760 0.020 . 1 . . . A 9 SER HA . 25704 1
103 . 1 1 9 9 SER HB2 H 1 3.360 0.020 . 2 . . . A 9 SER HB2 . 25704 1
104 . 1 1 9 9 SER HB3 H 1 3.090 0.020 . 2 . . . A 9 SER HB3 . 25704 1
105 . 1 1 9 9 SER HG H 1 4.910 0.020 . 1 . . . A 9 SER HG . 25704 1
106 . 1 1 9 9 SER C C 13 168.880 0.400 . 1 . . . A 9 SER C . 25704 1
107 . 1 1 9 9 SER CA C 13 59.940 0.400 . 1 . . . A 9 SER CA . 25704 1
108 . 1 1 9 9 SER CB C 13 60.530 0.400 . 1 . . . A 9 SER CB . 25704 1
109 . 1 1 9 9 SER N N 15 111.550 0.400 . 1 . . . A 9 SER N . 25704 1
110 . 1 1 10 10 PHE H H 1 8.870 0.020 . 1 . . . A 10 PHE H . 25704 1
111 . 1 1 10 10 PHE HA H 1 4.510 0.020 . 1 . . . A 10 PHE HA . 25704 1
112 . 1 1 10 10 PHE HB2 H 1 3.140 0.020 . 2 . . . A 10 PHE HB2 . 25704 1
113 . 1 1 10 10 PHE HB3 H 1 2.750 0.020 . 2 . . . A 10 PHE HB3 . 25704 1
114 . 1 1 10 10 PHE HD1 H 1 7.140 0.020 . 1 . . . A 10 PHE HD1 . 25704 1
115 . 1 1 10 10 PHE HD2 H 1 7.140 0.020 . 1 . . . A 10 PHE HD2 . 25704 1
116 . 1 1 10 10 PHE HE1 H 1 7.210 0.020 . 1 . . . A 10 PHE HE1 . 25704 1
117 . 1 1 10 10 PHE HE2 H 1 7.210 0.020 . 1 . . . A 10 PHE HE2 . 25704 1
118 . 1 1 10 10 PHE HZ H 1 7.150 0.020 . 1 . . . A 10 PHE HZ . 25704 1
119 . 1 1 10 10 PHE C C 13 170.450 0.400 . 1 . . . A 10 PHE C . 25704 1
120 . 1 1 10 10 PHE CA C 13 53.480 0.400 . 1 . . . A 10 PHE CA . 25704 1
121 . 1 1 10 10 PHE CB C 13 38.210 0.400 . 1 . . . A 10 PHE CB . 25704 1
122 . 1 1 10 10 PHE CG C 13 137.920 0.400 . 1 . . . A 10 PHE CG . 25704 1
123 . 1 1 10 10 PHE CD1 C 13 127.840 0.400 . 1 . . . A 10 PHE CD1 . 25704 1
124 . 1 1 10 10 PHE CD2 C 13 127.840 0.400 . 1 . . . A 10 PHE CD2 . 25704 1
125 . 1 1 10 10 PHE CE1 C 13 128.000 0.400 . 1 . . . A 10 PHE CE1 . 25704 1
126 . 1 1 10 10 PHE CE2 C 13 128.000 0.400 . 1 . . . A 10 PHE CE2 . 25704 1
127 . 1 1 10 10 PHE CZ C 13 126.120 0.400 . 1 . . . A 10 PHE CZ . 25704 1
128 . 1 1 10 10 PHE N N 15 112.500 0.400 . 1 . . . A 10 PHE N . 25704 1
129 . 1 1 11 11 GLY H H 1 7.240 0.020 . 1 . . . A 11 GLY H . 25704 1
130 . 1 1 11 11 GLY HA2 H 1 4.180 0.020 . 2 . . . A 11 GLY HA2 . 25704 1
131 . 1 1 11 11 GLY HA3 H 1 3.470 0.020 . 2 . . . A 11 GLY HA3 . 25704 1
132 . 1 1 11 11 GLY C C 13 168.060 0.400 . 1 . . . A 11 GLY C . 25704 1
133 . 1 1 11 11 GLY CA C 13 42.410 0.400 . 1 . . . A 11 GLY CA . 25704 1
134 . 1 1 11 11 GLY N N 15 104.020 0.400 . 1 . . . A 11 GLY N . 25704 1
135 . 1 1 12 12 LEU H H 1 8.660 0.020 . 1 . . . A 12 LEU H . 25704 1
136 . 1 1 12 12 LEU HA H 1 3.860 0.020 . 1 . . . A 12 LEU HA . 25704 1
137 . 1 1 12 12 LEU HB2 H 1 1.890 0.020 . 2 . . . A 12 LEU HB2 . 25704 1
138 . 1 1 12 12 LEU HB3 H 1 0.700 0.020 . 2 . . . A 12 LEU HB3 . 25704 1
139 . 1 1 12 12 LEU HG H 1 1.530 0.020 . 1 . . . A 12 LEU HG . 25704 1
140 . 1 1 12 12 LEU HD11 H 1 0.510 0.020 . 1 . . . A 12 LEU HD11 . 25704 1
141 . 1 1 12 12 LEU HD12 H 1 0.510 0.020 . 1 . . . A 12 LEU HD12 . 25704 1
142 . 1 1 12 12 LEU HD13 H 1 0.510 0.020 . 1 . . . A 12 LEU HD13 . 25704 1
143 . 1 1 12 12 LEU HD21 H 1 0.810 0.020 . 1 . . . A 12 LEU HD21 . 25704 1
144 . 1 1 12 12 LEU HD22 H 1 0.810 0.020 . 1 . . . A 12 LEU HD22 . 25704 1
145 . 1 1 12 12 LEU HD23 H 1 0.810 0.020 . 1 . . . A 12 LEU HD23 . 25704 1
146 . 1 1 12 12 LEU C C 13 171.980 0.400 . 1 . . . A 12 LEU C . 25704 1
147 . 1 1 12 12 LEU CA C 13 52.400 0.400 . 1 . . . A 12 LEU CA . 25704 1
148 . 1 1 12 12 LEU CB C 13 36.930 0.400 . 1 . . . A 12 LEU CB . 25704 1
149 . 1 1 12 12 LEU CG C 13 23.670 0.400 . 1 . . . A 12 LEU CG . 25704 1
150 . 1 1 12 12 LEU CD1 C 13 19.100 0.400 . 1 . . . A 12 LEU CD1 . 25704 1
151 . 1 1 12 12 LEU CD2 C 13 19.100 0.400 . 1 . . . A 12 LEU CD2 . 25704 1
152 . 1 1 12 12 LEU N N 15 124.050 0.400 . 1 . . . A 12 LEU N . 25704 1
153 . 1 1 13 13 ASN H H 1 9.640 0.020 . 1 . . . A 13 ASN H . 25704 1
154 . 1 1 13 13 ASN HA H 1 5.070 0.020 . 1 . . . A 13 ASN HA . 25704 1
155 . 1 1 13 13 ASN HB2 H 1 2.630 0.020 . 2 . . . A 13 ASN HB2 . 25704 1
156 . 1 1 13 13 ASN HB3 H 1 2.020 0.020 . 2 . . . A 13 ASN HB3 . 25704 1
157 . 1 1 13 13 ASN HD21 H 1 7.200 0.020 . 2 . . . A 13 ASN HD21 . 25704 1
158 . 1 1 13 13 ASN HD22 H 1 6.660 0.020 . 2 . . . A 13 ASN HD22 . 25704 1
159 . 1 1 13 13 ASN C C 13 172.810 0.400 . 1 . . . A 13 ASN C . 25704 1
160 . 1 1 13 13 ASN CA C 13 49.660 0.400 . 1 . . . A 13 ASN CA . 25704 1
161 . 1 1 13 13 ASN CB C 13 40.780 0.400 . 1 . . . A 13 ASN CB . 25704 1
162 . 1 1 13 13 ASN CG C 13 171.910 0.400 . 1 . . . A 13 ASN CG . 25704 1
163 . 1 1 13 13 ASN N N 15 118.620 0.400 . 1 . . . A 13 ASN N . 25704 1
164 . 1 1 13 13 ASN ND2 N 15 108.530 0.400 . 1 . . . A 13 ASN ND2 . 25704 1
165 . 1 1 14 14 PHE H H 1 6.860 0.020 . 1 . . . A 14 PHE H . 25704 1
166 . 1 1 14 14 PHE HA H 1 4.730 0.020 . 1 . . . A 14 PHE HA . 25704 1
167 . 1 1 14 14 PHE HB2 H 1 3.290 0.020 . 2 . . . A 14 PHE HB2 . 25704 1
168 . 1 1 14 14 PHE HB3 H 1 2.860 0.020 . 2 . . . A 14 PHE HB3 . 25704 1
169 . 1 1 14 14 PHE HD1 H 1 7.410 0.020 . 1 . . . A 14 PHE HD1 . 25704 1
170 . 1 1 14 14 PHE HD2 H 1 7.410 0.020 . 1 . . . A 14 PHE HD2 . 25704 1
171 . 1 1 14 14 PHE HE1 H 1 7.340 0.020 . 1 . . . A 14 PHE HE1 . 25704 1
172 . 1 1 14 14 PHE HE2 H 1 7.340 0.020 . 1 . . . A 14 PHE HE2 . 25704 1
173 . 1 1 14 14 PHE HZ H 1 7.290 0.020 . 1 . . . A 14 PHE HZ . 25704 1
174 . 1 1 14 14 PHE C C 13 167.230 0.400 . 1 . . . A 14 PHE C . 25704 1
175 . 1 1 14 14 PHE CA C 13 54.920 0.400 . 1 . . . A 14 PHE CA . 25704 1
176 . 1 1 14 14 PHE CB C 13 35.830 0.400 . 1 . . . A 14 PHE CB . 25704 1
177 . 1 1 14 14 PHE CG C 13 136.340 0.400 . 1 . . . A 14 PHE CG . 25704 1
178 . 1 1 14 14 PHE CD1 C 13 130.200 0.400 . 1 . . . A 14 PHE CD1 . 25704 1
179 . 1 1 14 14 PHE CD2 C 13 130.200 0.400 . 1 . . . A 14 PHE CD2 . 25704 1
180 . 1 1 14 14 PHE CE1 C 13 128.300 0.400 . 1 . . . A 14 PHE CE1 . 25704 1
181 . 1 1 14 14 PHE CE2 C 13 128.300 0.400 . 1 . . . A 14 PHE CE2 . 25704 1
182 . 1 1 14 14 PHE CZ C 13 126.650 0.400 . 1 . . . A 14 PHE CZ . 25704 1
183 . 1 1 14 14 PHE N N 15 117.930 0.400 . 1 . . . A 14 PHE N . 25704 1
184 . 1 1 15 15 PHE H H 1 6.630 0.020 . 1 . . . A 15 PHE H . 25704 1
185 . 1 1 15 15 PHE HA H 1 4.210 0.020 . 1 . . . A 15 PHE HA . 25704 1
186 . 1 1 15 15 PHE HB2 H 1 2.820 0.020 . 2 . . . A 15 PHE HB2 . 25704 1
187 . 1 1 15 15 PHE HB3 H 1 2.690 0.020 . 2 . . . A 15 PHE HB3 . 25704 1
188 . 1 1 15 15 PHE HD1 H 1 6.660 0.020 . 1 . . . A 15 PHE HD1 . 25704 1
189 . 1 1 15 15 PHE HD2 H 1 6.660 0.020 . 1 . . . A 15 PHE HD2 . 25704 1
190 . 1 1 15 15 PHE HE1 H 1 7.140 0.020 . 1 . . . A 15 PHE HE1 . 25704 1
191 . 1 1 15 15 PHE HE2 H 1 7.140 0.020 . 1 . . . A 15 PHE HE2 . 25704 1
192 . 1 1 15 15 PHE HZ H 1 7.200 0.020 . 1 . . . A 15 PHE HZ . 25704 1
193 . 1 1 15 15 PHE C C 13 174.450 0.400 . 1 . . . A 15 PHE C . 25704 1
194 . 1 1 15 15 PHE CA C 13 55.490 0.400 . 1 . . . A 15 PHE CA . 25704 1
195 . 1 1 15 15 PHE CB C 13 37.910 0.400 . 1 . . . A 15 PHE CB . 25704 1
196 . 1 1 15 15 PHE CG C 13 138.440 0.400 . 1 . . . A 15 PHE CG . 25704 1
197 . 1 1 15 15 PHE CD1 C 13 129.870 0.400 . 1 . . . A 15 PHE CD1 . 25704 1
198 . 1 1 15 15 PHE CD2 C 13 129.870 0.400 . 1 . . . A 15 PHE CD2 . 25704 1
199 . 1 1 15 15 PHE CE1 C 13 129.050 0.400 . 1 . . . A 15 PHE CE1 . 25704 1
200 . 1 1 15 15 PHE CE2 C 13 129.050 0.400 . 1 . . . A 15 PHE CE2 . 25704 1
201 . 1 1 15 15 PHE CZ C 13 125.870 0.400 . 1 . . . A 15 PHE CZ . 25704 1
202 . 1 1 15 15 PHE N N 15 118.710 0.400 . 1 . . . A 15 PHE N . 25704 1
stop_
save_