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 30311
_Assigned_chem_shift_list.ID 1
_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
1 '2D 1H-1H NOESY' . . . 30311 1
2 '2D 1H-1H TOCSY' . . . 30311 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.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 LEU HA H 1 4.517 0.004 . . . . . . A 1 LEU HA . 30311 1
2 . 1 1 1 1 LEU HB2 H 1 1.506 0.001 . . . . . . A 1 LEU HB2 . 30311 1
3 . 1 1 1 1 LEU HB3 H 1 1.413 0.003 . . . . . . A 1 LEU HB3 . 30311 1
4 . 1 1 1 1 LEU HG H 1 1.615 0.002 . . . . . . A 1 LEU HG . 30311 1
5 . 1 1 1 1 LEU HD11 H 1 0.846 0.002 . . . . . . A 1 LEU HD11 . 30311 1
6 . 1 1 1 1 LEU HD12 H 1 0.846 0.002 . . . . . . A 1 LEU HD12 . 30311 1
7 . 1 1 1 1 LEU HD13 H 1 0.846 0.002 . . . . . . A 1 LEU HD13 . 30311 1
8 . 1 1 2 2 PRO HA H 1 4.306 0.003 . . . . . . A 2 PRO HA . 30311 1
9 . 1 1 2 2 PRO HB2 H 1 2.104 0.003 . . . . . . A 2 PRO HB2 . 30311 1
10 . 1 1 2 2 PRO HG2 H 1 1.823 0.004 . . . . . . A 2 PRO HG2 . 30311 1
11 . 1 1 2 2 PRO HG3 H 1 1.763 0.005 . . . . . . A 2 PRO HG3 . 30311 1
12 . 1 1 2 2 PRO HD2 H 1 3.645 0.003 . . . . . . A 2 PRO HD2 . 30311 1
13 . 1 1 2 2 PRO HD3 H 1 3.417 0.003 . . . . . . A 2 PRO HD3 . 30311 1
14 . 1 1 3 3 SER H H 1 7.857 0.001 . . . . . . A 3 SER H . 30311 1
15 . 1 1 3 3 SER HA H 1 4.310 0.003 . . . . . . A 3 SER HA . 30311 1
16 . 1 1 3 3 SER HB2 H 1 3.709 0.003 . . . . . . A 3 SER HB2 . 30311 1
17 . 1 1 3 3 SER HB3 H 1 3.922 0.002 . . . . . . A 3 SER HB3 . 30311 1
18 . 1 1 4 4 ASP H H 1 8.229 0.003 . . . . . . A 4 ASP H . 30311 1
19 . 1 1 4 4 ASP HA H 1 4.584 0.002 . . . . . . A 4 ASP HA . 30311 1
20 . 1 1 4 4 ASP HB3 H 1 2.696 0.002 . . . . . . A 4 ASP HB3 . 30311 1
21 . 1 1 5 5 ASP H H 1 8.216 0.001 . . . . . . A 5 ASP H . 30311 1
22 . 1 1 5 5 ASP HA H 1 3.174 0.004 . . . . . . A 5 ASP HA . 30311 1
23 . 1 1 5 5 ASP HB2 H 1 1.812 0.001 . . . . . . A 5 ASP HB2 . 30311 1
24 . 1 1 5 5 ASP HB3 H 1 1.921 0.002 . . . . . . A 5 ASP HB3 . 30311 1
25 . 1 1 6 6 LEU H H 1 8.222 0.002 . . . . . . A 6 LEU H . 30311 1
26 . 1 1 6 6 LEU HA H 1 4.318 0.003 . . . . . . A 6 LEU HA . 30311 1
27 . 1 1 6 6 LEU HB2 H 1 1.912 0.004 . . . . . . A 6 LEU HB2 . 30311 1
28 . 1 1 6 6 LEU HB3 H 1 1.909 0.001 . . . . . . A 6 LEU HB3 . 30311 1
29 . 1 1 6 6 LEU HG H 1 1.835 0.004 . . . . . . A 6 LEU HG . 30311 1
30 . 1 1 6 6 LEU HD11 H 1 0.822 0.002 . . . . . . A 6 LEU HD11 . 30311 1
31 . 1 1 6 6 LEU HD12 H 1 0.822 0.002 . . . . . . A 6 LEU HD12 . 30311 1
32 . 1 1 6 6 LEU HD13 H 1 0.822 0.002 . . . . . . A 6 LEU HD13 . 30311 1
33 . 1 1 6 6 LEU HD21 H 1 0.886 0.003 . . . . . . A 6 LEU HD21 . 30311 1
34 . 1 1 6 6 LEU HD22 H 1 0.886 0.003 . . . . . . A 6 LEU HD22 . 30311 1
35 . 1 1 6 6 LEU HD23 H 1 0.886 0.003 . . . . . . A 6 LEU HD23 . 30311 1
36 . 1 1 7 7 GLU H H 1 8.084 0.001 . . . . . . A 7 GLU H . 30311 1
37 . 1 1 7 7 GLU HA H 1 4.705 0.004 . . . . . . A 7 GLU HA . 30311 1
38 . 1 1 7 7 GLU HB3 H 1 2.655 0.003 . . . . . . A 7 GLU HB3 . 30311 1
39 . 1 1 7 7 GLU HG2 H 1 2.864 0.003 . . . . . . A 7 GLU HG2 . 30311 1
40 . 1 1 8 8 PHE H H 1 7.782 0.002 . . . . . . A 8 PHE H . 30311 1
41 . 1 1 8 8 PHE HA H 1 4.188 0.004 . . . . . . A 8 PHE HA . 30311 1
42 . 1 1 8 8 PHE HB2 H 1 3.135 0.004 . . . . . . A 8 PHE HB2 . 30311 1
43 . 1 1 8 8 PHE HB3 H 1 3.014 0.004 . . . . . . A 8 PHE HB3 . 30311 1
44 . 1 1 8 8 PHE HD1 H 1 6.919 0.002 . . . . . . A 8 PHE HD1 . 30311 1
45 . 1 1 8 8 PHE HD2 H 1 6.919 0.002 . . . . . . A 8 PHE HD2 . 30311 1
46 . 1 1 8 8 PHE HE1 H 1 7.009 0.002 . . . . . . A 8 PHE HE1 . 30311 1
47 . 1 1 8 8 PHE HE2 H 1 7.009 0.002 . . . . . . A 8 PHE HE2 . 30311 1
48 . 1 1 8 8 PHE HZ H 1 7.126 0.002 . . . . . . A 8 PHE HZ . 30311 1
49 . 1 1 9 9 TRP H H 1 8.238 0.002 . . . . . . A 9 TRP H . 30311 1
50 . 1 1 9 9 TRP HA H 1 4.048 0.002 . . . . . . A 9 TRP HA . 30311 1
51 . 1 1 9 9 TRP HB2 H 1 3.339 0.003 . . . . . . A 9 TRP HB2 . 30311 1
52 . 1 1 9 9 TRP HB3 H 1 3.452 0.004 . . . . . . A 9 TRP HB3 . 30311 1
53 . 1 1 9 9 TRP HD1 H 1 7.281 0.002 . . . . . . A 9 TRP HD1 . 30311 1
54 . 1 1 9 9 TRP HE1 H 1 10.218 0.003 . . . . . . A 9 TRP HE1 . 30311 1
55 . 1 1 9 9 TRP HE3 H 1 7.595 0.002 . . . . . . A 9 TRP HE3 . 30311 1
56 . 1 1 9 9 TRP HZ2 H 1 7.486 0.002 . . . . . . A 9 TRP HZ2 . 30311 1
57 . 1 1 9 9 TRP HZ3 H 1 7.294 0.004 . . . . . . A 9 TRP HZ3 . 30311 1
58 . 1 1 9 9 TRP HH2 H 1 7.185 0.003 . . . . . . A 9 TRP HH2 . 30311 1
59 . 1 1 10 10 CYS H H 1 9.096 0.003 . . . . . . A 10 CYS H . 30311 1
60 . 1 1 10 10 CYS HA H 1 4.450 0.003 . . . . . . A 10 CYS HA . 30311 1
61 . 1 1 10 10 CYS HB2 H 1 3.151 0.002 . . . . . . A 10 CYS HB2 . 30311 1
62 . 1 1 10 10 CYS HB3 H 1 2.956 0.002 . . . . . . A 10 CYS HB3 . 30311 1
63 . 1 1 11 11 HIS H H 1 7.810 0.002 . . . . . . A 11 HIS H . 30311 1
64 . 1 1 11 11 HIS HA H 1 4.221 0.002 . . . . . . A 11 HIS HA . 30311 1
65 . 1 1 11 11 HIS HB2 H 1 3.133 0.003 . . . . . . A 11 HIS HB2 . 30311 1
66 . 1 1 11 11 HIS HB3 H 1 3.138 0.001 . . . . . . A 11 HIS HB3 . 30311 1
67 . 1 1 12 12 VAL H H 1 7.941 0.005 . . . . . . A 12 VAL H . 30311 1
68 . 1 1 12 12 VAL HA H 1 3.493 0.004 . . . . . . A 12 VAL HA . 30311 1
69 . 1 1 12 12 VAL HB H 1 1.743 0.003 . . . . . . A 12 VAL HB . 30311 1
70 . 1 1 12 12 VAL HG11 H 1 0.487 0.001 . . . . . . A 12 VAL HG11 . 30311 1
71 . 1 1 12 12 VAL HG12 H 1 0.671 0.002 . . . . . . A 12 VAL HG12 . 30311 1
72 . 1 1 12 12 VAL HG13 H 1 0.487 0.001 . . . . . . A 12 VAL HG13 . 30311 1
73 . 1 1 12 12 VAL HG21 H 1 0.487 0.001 . . . . . . A 12 VAL HG21 . 30311 1
74 . 1 1 12 12 VAL HG22 H 1 0.671 0.002 . . . . . . A 12 VAL HG22 . 30311 1
75 . 1 1 12 12 VAL HG23 H 1 0.671 0.002 . . . . . . A 12 VAL HG23 . 30311 1
76 . 1 1 13 13 MET H H 1 7.931 0.002 . . . . . . A 13 MET H . 30311 1
77 . 1 1 13 13 MET HA H 1 3.950 0.004 . . . . . . A 13 MET HA . 30311 1
78 . 1 1 13 13 MET HB2 H 1 0.826 0.004 . . . . . . A 13 MET HB2 . 30311 1
79 . 1 1 13 13 MET HB3 H 1 1.194 0.004 . . . . . . A 13 MET HB3 . 30311 1
80 . 1 1 13 13 MET HG2 H 1 1.499 0.006 . . . . . . A 13 MET HG2 . 30311 1
81 . 1 1 13 13 MET HG3 H 1 1.755 0.001 . . . . . . A 13 MET HG3 . 30311 1
82 . 1 1 14 14 TYR H H 1 7.735 0.002 . . . . . . A 14 TYR H . 30311 1
83 . 1 1 14 14 TYR HA H 1 4.727 0.003 . . . . . . A 14 TYR HA . 30311 1
84 . 1 1 14 14 TYR HB2 H 1 3.312 0.003 . . . . . . A 14 TYR HB2 . 30311 1
85 . 1 1 14 14 TYR HB3 H 1 2.707 0.002 . . . . . . A 14 TYR HB3 . 30311 1
86 . 1 1 14 14 TYR HD1 H 1 7.222 0.002 . . . . . . A 14 TYR HD1 . 30311 1
87 . 1 1 14 14 TYR HD2 H 1 7.222 0.002 . . . . . . A 14 TYR HD2 . 30311 1
88 . 1 1 14 14 TYR HE1 H 1 6.766 0.003 . . . . . . A 14 TYR HE1 . 30311 1
89 . 1 1 14 14 TYR HE2 H 1 6.766 0.003 . . . . . . A 14 TYR HE2 . 30311 1
90 . 2 1 1 1 LEU HA H 1 4.517 0.004 . . . . . . B 51 LEU HA . 30311 1
91 . 2 1 1 1 LEU HB2 H 1 1.506 0.001 . . . . . . B 51 LEU HB2 . 30311 1
92 . 2 1 1 1 LEU HB3 H 1 1.413 0.003 . . . . . . B 51 LEU HB3 . 30311 1
93 . 2 1 1 1 LEU HG H 1 1.615 0.002 . . . . . . B 51 LEU HG . 30311 1
94 . 2 1 1 1 LEU HD11 H 1 0.846 0.002 . . . . . . B 51 LEU HD11 . 30311 1
95 . 2 1 1 1 LEU HD12 H 1 0.846 0.002 . . . . . . B 51 LEU HD12 . 30311 1
96 . 2 1 1 1 LEU HD13 H 1 0.846 0.002 . . . . . . B 51 LEU HD13 . 30311 1
97 . 2 1 2 2 PRO HA H 1 4.306 0.003 . . . . . . B 52 PRO HA . 30311 1
98 . 2 1 2 2 PRO HB2 H 1 2.104 0.003 . . . . . . B 52 PRO HB2 . 30311 1
99 . 2 1 2 2 PRO HG2 H 1 1.823 0.004 . . . . . . B 52 PRO HG2 . 30311 1
100 . 2 1 2 2 PRO HG3 H 1 1.763 0.005 . . . . . . B 52 PRO HG3 . 30311 1
101 . 2 1 2 2 PRO HD2 H 1 3.645 0.003 . . . . . . B 52 PRO HD2 . 30311 1
102 . 2 1 2 2 PRO HD3 H 1 3.417 0.003 . . . . . . B 52 PRO HD3 . 30311 1
103 . 2 1 3 3 SER H H 1 7.857 0.001 . . . . . . B 53 SER H . 30311 1
104 . 2 1 3 3 SER HA H 1 4.310 0.003 . . . . . . B 53 SER HA . 30311 1
105 . 2 1 3 3 SER HB2 H 1 3.709 0.003 . . . . . . B 53 SER HB2 . 30311 1
106 . 2 1 3 3 SER HB3 H 1 3.922 0.002 . . . . . . B 53 SER HB3 . 30311 1
107 . 2 1 4 4 ASP H H 1 8.229 0.003 . . . . . . B 54 ASP H . 30311 1
108 . 2 1 4 4 ASP HA H 1 4.584 0.002 . . . . . . B 54 ASP HA . 30311 1
109 . 2 1 4 4 ASP HB3 H 1 2.696 0.002 . . . . . . B 54 ASP HB3 . 30311 1
110 . 2 1 5 5 ASP H H 1 8.216 0.001 . . . . . . B 55 ASP H . 30311 1
111 . 2 1 5 5 ASP HA H 1 3.174 0.004 . . . . . . B 55 ASP HA . 30311 1
112 . 2 1 5 5 ASP HB2 H 1 1.812 0.001 . . . . . . B 55 ASP HB2 . 30311 1
113 . 2 1 5 5 ASP HB3 H 1 1.921 0.002 . . . . . . B 55 ASP HB3 . 30311 1
114 . 2 1 6 6 LEU H H 1 8.222 0.002 . . . . . . B 56 LEU H . 30311 1
115 . 2 1 6 6 LEU HA H 1 4.318 0.003 . . . . . . B 56 LEU HA . 30311 1
116 . 2 1 6 6 LEU HB2 H 1 1.912 0.004 . . . . . . B 56 LEU HB2 . 30311 1
117 . 2 1 6 6 LEU HB3 H 1 1.909 0.001 . . . . . . B 56 LEU HB3 . 30311 1
118 . 2 1 6 6 LEU HG H 1 1.835 0.004 . . . . . . B 56 LEU HG . 30311 1
119 . 2 1 6 6 LEU HD11 H 1 0.822 0.002 . . . . . . B 56 LEU HD11 . 30311 1
120 . 2 1 6 6 LEU HD12 H 1 0.822 0.002 . . . . . . B 56 LEU HD12 . 30311 1
121 . 2 1 6 6 LEU HD13 H 1 0.822 0.002 . . . . . . B 56 LEU HD13 . 30311 1
122 . 2 1 6 6 LEU HD21 H 1 0.886 0.003 . . . . . . B 56 LEU HD21 . 30311 1
123 . 2 1 6 6 LEU HD22 H 1 0.886 0.003 . . . . . . B 56 LEU HD22 . 30311 1
124 . 2 1 6 6 LEU HD23 H 1 0.886 0.003 . . . . . . B 56 LEU HD23 . 30311 1
125 . 2 1 7 7 GLU H H 1 8.084 0.001 . . . . . . B 57 GLU H . 30311 1
126 . 2 1 7 7 GLU HA H 1 4.705 0.004 . . . . . . B 57 GLU HA . 30311 1
127 . 2 1 7 7 GLU HB3 H 1 2.655 0.003 . . . . . . B 57 GLU HB3 . 30311 1
128 . 2 1 7 7 GLU HG2 H 1 2.864 0.003 . . . . . . B 57 GLU HG2 . 30311 1
129 . 2 1 8 8 PHE H H 1 7.782 0.002 . . . . . . B 58 PHE H . 30311 1
130 . 2 1 8 8 PHE HA H 1 4.188 0.004 . . . . . . B 58 PHE HA . 30311 1
131 . 2 1 8 8 PHE HB2 H 1 3.135 0.004 . . . . . . B 58 PHE HB2 . 30311 1
132 . 2 1 8 8 PHE HB3 H 1 3.014 0.004 . . . . . . B 58 PHE HB3 . 30311 1
133 . 2 1 8 8 PHE HD1 H 1 6.919 0.002 . . . . . . B 58 PHE HD1 . 30311 1
134 . 2 1 8 8 PHE HD2 H 1 6.919 0.002 . . . . . . B 58 PHE HD2 . 30311 1
135 . 2 1 8 8 PHE HE1 H 1 7.009 0.002 . . . . . . B 58 PHE HE1 . 30311 1
136 . 2 1 8 8 PHE HE2 H 1 7.009 0.002 . . . . . . B 58 PHE HE2 . 30311 1
137 . 2 1 8 8 PHE HZ H 1 7.126 0.002 . . . . . . B 58 PHE HZ . 30311 1
138 . 2 1 9 9 TRP H H 1 8.238 0.002 . . . . . . B 59 TRP H . 30311 1
139 . 2 1 9 9 TRP HA H 1 4.048 0.002 . . . . . . B 59 TRP HA . 30311 1
140 . 2 1 9 9 TRP HB2 H 1 3.339 0.003 . . . . . . B 59 TRP HB2 . 30311 1
141 . 2 1 9 9 TRP HB3 H 1 3.452 0.004 . . . . . . B 59 TRP HB3 . 30311 1
142 . 2 1 9 9 TRP HD1 H 1 7.281 0.002 . . . . . . B 59 TRP HD1 . 30311 1
143 . 2 1 9 9 TRP HE1 H 1 10.218 0.003 . . . . . . B 59 TRP HE1 . 30311 1
144 . 2 1 9 9 TRP HE3 H 1 7.595 0.002 . . . . . . B 59 TRP HE3 . 30311 1
145 . 2 1 9 9 TRP HZ2 H 1 7.486 0.002 . . . . . . B 59 TRP HZ2 . 30311 1
146 . 2 1 9 9 TRP HZ3 H 1 7.294 0.004 . . . . . . B 59 TRP HZ3 . 30311 1
147 . 2 1 9 9 TRP HH2 H 1 7.185 0.003 . . . . . . B 59 TRP HH2 . 30311 1
148 . 2 1 10 10 CYS H H 1 9.096 0.003 . . . . . . B 60 CYS H . 30311 1
149 . 2 1 10 10 CYS HA H 1 4.450 0.003 . . . . . . B 60 CYS HA . 30311 1
150 . 2 1 10 10 CYS HB2 H 1 3.151 0.002 . . . . . . B 60 CYS HB2 . 30311 1
151 . 2 1 10 10 CYS HB3 H 1 2.956 0.002 . . . . . . B 60 CYS HB3 . 30311 1
152 . 2 1 11 11 HIS H H 1 7.810 0.002 . . . . . . B 61 HIS H . 30311 1
153 . 2 1 11 11 HIS HA H 1 4.221 0.002 . . . . . . B 61 HIS HA . 30311 1
154 . 2 1 11 11 HIS HB2 H 1 3.133 0.003 . . . . . . B 61 HIS HB2 . 30311 1
155 . 2 1 11 11 HIS HB3 H 1 3.138 0.001 . . . . . . B 61 HIS HB3 . 30311 1
156 . 2 1 12 12 VAL H H 1 7.941 0.005 . . . . . . B 62 VAL H . 30311 1
157 . 2 1 12 12 VAL HA H 1 3.493 0.004 . . . . . . B 62 VAL HA . 30311 1
158 . 2 1 12 12 VAL HB H 1 1.743 0.003 . . . . . . B 62 VAL HB . 30311 1
159 . 2 1 12 12 VAL HG11 H 1 0.487 0.001 . . . . . . B 62 VAL HG11 . 30311 1
160 . 2 1 12 12 VAL HG12 H 1 0.671 0.002 . . . . . . B 62 VAL HG12 . 30311 1
161 . 2 1 12 12 VAL HG13 H 1 0.487 0.001 . . . . . . B 62 VAL HG13 . 30311 1
162 . 2 1 12 12 VAL HG21 H 1 0.487 0.001 . . . . . . B 62 VAL HG21 . 30311 1
163 . 2 1 12 12 VAL HG22 H 1 0.671 0.002 . . . . . . B 62 VAL HG22 . 30311 1
164 . 2 1 12 12 VAL HG23 H 1 0.671 0.002 . . . . . . B 62 VAL HG23 . 30311 1
165 . 2 1 13 13 MET H H 1 7.931 0.002 . . . . . . B 63 MET H . 30311 1
166 . 2 1 13 13 MET HA H 1 3.950 0.004 . . . . . . B 63 MET HA . 30311 1
167 . 2 1 13 13 MET HB2 H 1 0.826 0.004 . . . . . . B 63 MET HB2 . 30311 1
168 . 2 1 13 13 MET HB3 H 1 1.194 0.004 . . . . . . B 63 MET HB3 . 30311 1
169 . 2 1 13 13 MET HG2 H 1 1.499 0.006 . . . . . . B 63 MET HG2 . 30311 1
170 . 2 1 13 13 MET HG3 H 1 1.755 0.001 . . . . . . B 63 MET HG3 . 30311 1
171 . 2 1 14 14 TYR H H 1 7.735 0.002 . . . . . . B 64 TYR H . 30311 1
172 . 2 1 14 14 TYR HA H 1 4.727 0.003 . . . . . . B 64 TYR HA . 30311 1
173 . 2 1 14 14 TYR HB2 H 1 3.312 0.003 . . . . . . B 64 TYR HB2 . 30311 1
174 . 2 1 14 14 TYR HB3 H 1 2.707 0.002 . . . . . . B 64 TYR HB3 . 30311 1
175 . 2 1 14 14 TYR HD1 H 1 7.222 0.002 . . . . . . B 64 TYR HD1 . 30311 1
176 . 2 1 14 14 TYR HD2 H 1 7.222 0.002 . . . . . . B 64 TYR HD2 . 30311 1
177 . 2 1 14 14 TYR HE1 H 1 6.766 0.003 . . . . . . B 64 TYR HE1 . 30311 1
178 . 2 1 14 14 TYR HE2 H 1 6.766 0.003 . . . . . . B 64 TYR HE2 . 30311 1
stop_
save_