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 51400
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'assigned chem shift list'
_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 TOCSY' . . . 51400 1
2 '2D 1H-1H NOESY' . . . 51400 1
3 '2D 1H-13C HSQC/HMQC' . . . 51400 1
4 '2D 1H-15N HSQC/HMQC' . . . 51400 1
5 'HMBC 13C (H_[C].Jmultibond)' . . . 51400 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
1 $software_1 . . 51400 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 THR HA H 1 3.736 0.003 . 1 . . 102 . . 1 THR HA . 51400 1
2 . 1 . 1 1 1 THR HB H 1 3.987 0.008 . 1 . . 91 . . 1 THR HB . 51400 1
3 . 1 . 1 1 1 THR HG21 H 1 1.152 0.004 . 1 . . 103 . . 1 THR HG1 . 51400 1
4 . 1 . 1 1 1 THR HG22 H 1 1.152 0.004 . 1 . . 103 . . 1 THR HG1 . 51400 1
5 . 1 . 1 1 1 THR HG23 H 1 1.152 0.004 . 1 . . 103 . . 1 THR HG1 . 51400 1
6 . 1 . 1 1 1 THR C C 13 170.315 0.01 . 1 . . 167 . . 1 THR C . 51400 1
7 . 1 . 1 1 1 THR CA C 13 61.336 0.043 . 1 . . 183 . . 1 THR CA . 51400 1
8 . 1 . 1 1 1 THR CB C 13 69.078 0.042 . 1 . . 92 . . 1 THR CB . 51400 1
9 . 1 . 1 1 1 THR CG2 C 13 21.423 0.045 . 1 . . 104 . . 1 THR CG2 . 51400 1
10 . 1 . 1 2 2 TYR H H 1 8.681 0.002 . 1 . . 1 . . 2 TYR H . 51400 1
11 . 1 . 1 2 2 TYR HA H 1 4.483 0.003 . 1 . . 2 . . 2 TYR HA . 51400 1
12 . 1 . 1 2 2 TYR HB2 H 1 2.904 0.004 . 2 . . 3 . . 2 TYR HB2 . 51400 1
13 . 1 . 1 2 2 TYR HB3 H 1 2.827 0.003 . 2 . . 4 . . 2 TYR HB3 . 51400 1
14 . 1 . 1 2 2 TYR C C 13 174.733 . . 1 . . 186 . . 2 TYR C . 51400 1
15 . 1 . 1 2 2 TYR CA C 13 58.177 . . 1 . . 87 . . 2 TYR CA . 51400 1
16 . 1 . 1 2 2 TYR CB C 13 38.969 0.005 . 1 . . 135 . . 2 TYR CB . 51400 1
17 . 1 . 1 2 2 TYR N N 15 125.237 . . 1 . . 144 . . 2 TYR N . 51400 1
18 . 1 . 1 3 3 HIS H H 1 8.258 0.001 . 1 . . 34 . . 3 HIS H . 51400 1
19 . 1 . 1 3 3 HIS HA H 1 4.513 0.001 . 1 . . 35 . . 3 HIS HA . 51400 1
20 . 1 . 1 3 3 HIS HB2 H 1 3.043 0.004 . 2 . . 36 . . 3 HIS HB2 . 51400 1
21 . 1 . 1 3 3 HIS HB3 H 1 2.950 0.004 . 2 . . 37 . . 3 HIS HB3 . 51400 1
22 . 1 . 1 3 3 HIS C C 13 173.206 0.013 . 1 . . 169 . . 3 HIS C . 51400 1
23 . 1 . 1 3 3 HIS CA C 13 54.901 . . 1 . . 88 . . 3 HIS CA . 51400 1
24 . 1 . 1 3 3 HIS CB C 13 29.567 0.001 . 1 . . 97 . . 3 HIS CB . 51400 1
25 . 1 . 1 3 3 HIS N N 15 122.896 . . 1 . . 159 . . 3 HIS N . 51400 1
26 . 1 . 1 4 4 VAL H H 1 8.113 0.003 . 1 . . 66 . . 4 VAL H . 51400 1
27 . 1 . 1 4 4 VAL HA H 1 3.886 0.004 . 1 . . 67 . . 4 VAL HA . 51400 1
28 . 1 . 1 4 4 VAL HB H 1 1.896 0.004 . 1 . . 105 . . 4 VAL HB . 51400 1
29 . 1 . 1 4 4 VAL HG11 H 1 0.829 0.011 . 1 . . 70 . . 4 VAL HG11 . 51400 1
30 . 1 . 1 4 4 VAL HG12 H 1 0.829 0.011 . 1 . . 70 . . 4 VAL HG12 . 51400 1
31 . 1 . 1 4 4 VAL HG13 H 1 0.829 0.011 . 1 . . 70 . . 4 VAL HG13 . 51400 1
32 . 1 . 1 4 4 VAL C C 13 175.462 0.005 . 1 . . 168 . . 4 VAL C . 51400 1
33 . 1 . 1 4 4 VAL CA C 13 62.244 . . 1 . . 93 . . 4 VAL CA . 51400 1
34 . 1 . 1 4 4 VAL CB C 13 32.846 0.042 . 1 . . 131 . . 4 VAL CB . 51400 1
35 . 1 . 1 4 4 VAL CG1 C 13 20.601 0.068 . 1 . . 126 . . 4 VAL CG1 . 51400 1
36 . 1 . 1 4 4 VAL N N 15 122.655 . . 1 . . 152 . . 4 VAL N . 51400 1
37 . 1 . 1 5 5 ASP H H 1 8.488 0.003 . 1 . . 6 . . 5 ASP H . 51400 1
38 . 1 . 1 5 5 ASP HA H 1 4.572 0.004 . 1 . . 7 . . 5 ASP HA . 51400 1
39 . 1 . 1 5 5 ASP HB2 H 1 2.803 0.005 . 2 . . 9 . . 5 ASP HB2 . 51400 1
40 . 1 . 1 5 5 ASP HB3 H 1 2.666 0.008 . 2 . . 11 . . 5 ASP HB3 . 51400 1
41 . 1 . 1 5 5 ASP C C 13 175.160 0.013 . 1 . . 170 . . 5 ASP C . 51400 1
42 . 1 . 1 5 5 ASP CA C 13 53.125 0.059 . 1 . . 141 . . 5 ASP CA . 51400 1
43 . 1 . 1 5 5 ASP CB C 13 39.113 0.002 . 1 . . 137 . . 5 ASP CB . 51400 1
44 . 1 . 1 5 5 ASP N N 15 123.883 . . 1 . . 146 . . 5 ASP N . 51400 1
45 . 1 . 1 6 6 ALA H H 1 8.312 0.002 . 1 . . 24 . . 6 ALA H . 51400 1
46 . 1 . 1 6 6 ALA HA H 1 4.150 0.007 . 1 . . 23 . . 6 ALA HA . 51400 1
47 . 1 . 1 6 6 ALA HB1 H 1 1.278 0.004 . 1 . . 25 . . 6 ALA HB1 . 51400 1
48 . 1 . 1 6 6 ALA HB2 H 1 1.278 0.004 . 1 . . 25 . . 6 ALA HB2 . 51400 1
49 . 1 . 1 6 6 ALA HB3 H 1 1.278 0.004 . 1 . . 25 . . 6 ALA HB3 . 51400 1
50 . 1 . 1 6 6 ALA C C 13 177.445 0.015 . 1 . . 166 . . 6 ALA C . 51400 1
51 . 1 . 1 6 6 ALA CA C 13 52.957 0.042 . 1 . . 79 . . 6 ALA CA . 51400 1
52 . 1 . 1 6 6 ALA CB C 13 19.136 0.052 . 1 . . 99 . . 6 ALA CB . 51400 1
53 . 1 . 1 6 6 ALA N N 15 125.399 . . 1 . . 145 . . 6 ALA N . 51400 1
54 . 1 . 1 7 7 ASN H H 1 8.246 0.002 . 1 . . 48 . . 7 ASN H . 51400 1
55 . 1 . 1 7 7 ASN HA H 1 4.560 0.003 . 1 . . 49 . . 7 ASN HA . 51400 1
56 . 1 . 1 7 7 ASN HB2 H 1 2.754 0.004 . 2 . . 41 . . 7 ASN HB2 . 51400 1
57 . 1 . 1 7 7 ASN HB3 H 1 2.646 0.007 . 2 . . 42 . . 7 ASN HB3 . 51400 1
58 . 1 . 1 7 7 ASN HD21 H 1 7.534 0.002 . 1 . . 100 . . 7 ASN HD21 . 51400 1
59 . 1 . 1 7 7 ASN HD22 H 1 6.848 0.001 . 1 . . 101 . . 7 ASN HD22 . 51400 1
60 . 1 . 1 7 7 ASN C C 13 174.964 0.016 . 1 . . 177 . . 7 ASN C . 51400 1
61 . 1 . 1 7 7 ASN CA C 13 53.192 0.018 . 1 . . 184 . . 7 ASN CA . 51400 1
62 . 1 . 1 7 7 ASN CB C 13 38.643 0.018 . 1 . . 136 . . 7 ASN CB . 51400 1
63 . 1 . 1 7 7 ASN N N 15 116.719 . . 1 . . 156 . . 7 ASN N . 51400 1
64 . 1 . 1 7 7 ASN ND2 N 15 112.865 0.0 . 1 . . 165 . . 7 ASN ND2 . 51400 1
65 . 1 . 1 8 8 ASP H H 1 8.077 0.001 . 1 . . 71 . . 8 ASP H . 51400 1
66 . 1 . 1 8 8 ASP HA H 1 4.539 0.001 . 1 . . 72 . . 8 ASP HA . 51400 1
67 . 1 . 1 8 8 ASP HB2 H 1 2.737 0.004 . 2 . . 73 . . 8 ASP HB2 . 51400 1
68 . 1 . 1 8 8 ASP HB3 H 1 2.715 0.003 . 2 . . 74 . . 8 ASP HB3 . 51400 1
69 . 1 . 1 8 8 ASP C C 13 175.399 0.029 . 1 . . 173 . . 8 ASP C . 51400 1
70 . 1 . 1 8 8 ASP CA C 13 53.401 0.001 . 1 . . 89 . . 8 ASP CA . 51400 1
71 . 1 . 1 8 8 ASP CB C 13 38.646 . . 1 . . 140 . . 8 ASP CB . 51400 1
72 . 1 . 1 8 8 ASP N N 15 119.183 . . 1 . . 150 . . 8 ASP N . 51400 1
73 . 1 . 1 9 9 HIS H H 1 8.439 0.006 . 1 . . 12 . . 9 HIS H . 51400 1
74 . 1 . 1 9 9 HIS HA H 1 4.602 0.001 . 1 . . 13 . . 9 HIS HA . 51400 1
75 . 1 . 1 9 9 HIS HB2 H 1 3.232 0.006 . 2 . . 15 . . 9 HIS HB2 . 51400 1
76 . 1 . 1 9 9 HIS HB3 H 1 3.109 0.005 . 2 . . 16 . . 9 HIS HB3 . 51400 1
77 . 1 . 1 9 9 HIS C C 13 174.311 0.04 . 1 . . 175 . . 9 HIS C . 51400 1
78 . 1 . 1 9 9 HIS CA C 13 55.553 0.096 . 1 . . 90 . . 9 HIS CA . 51400 1
79 . 1 . 1 9 9 HIS CB C 13 28.461 0.007 . 1 . . 96 . . 9 HIS CB . 51400 1
80 . 1 . 1 9 9 HIS N N 15 118.728 . . 1 . . 147 . . 9 HIS N . 51400 1
81 . 1 . 1 10 10 ASP H H 1 8.282 0.002 . 1 . . 26 . . 10 ASP H . 51400 1
82 . 1 . 1 10 10 ASP HA H 1 4.579 0.004 . 1 . . 27 . . 10 ASP HA . 51400 1
83 . 1 . 1 10 10 ASP HB2 H 1 2.793 0.004 . 2 . . 29 . . 10 ASP HB2 . 51400 1
84 . 1 . 1 10 10 ASP HB3 H 1 2.709 0.008 . 2 . . 30 . . 10 ASP HB3 . 51400 1
85 . 1 . 1 10 10 ASP C C 13 175.525 0.01 . 1 . . 174 . . 10 ASP C . 51400 1
86 . 1 . 1 10 10 ASP CA C 13 53.671 0.016 . 1 . . 185 . . 10 ASP CA . 51400 1
87 . 1 . 1 10 10 ASP CB C 13 38.896 0.012 . 1 . . 138 . . 10 ASP CB . 51400 1
88 . 1 . 1 10 10 ASP N N 15 119.686 . . 1 . . 149 . . 10 ASP N . 51400 1
89 . 1 . 1 11 11 GLN H H 1 8.357 0.001 . 1 . . 17 . . 11 GLN H . 51400 1
90 . 1 . 1 11 11 GLN HA H 1 4.255 0.008 . 1 . . 18 . . 11 GLN HA . 51400 1
91 . 1 . 1 11 11 GLN HB2 H 1 2.062 0.004 . 2 . . 20 . . 11 GLN HB2 . 51400 1
92 . 1 . 1 11 11 GLN HB3 H 1 1.903 0.007 . 2 . . 22 . . 11 GLN HB3 . 51400 1
93 . 1 . 1 11 11 GLN HG2 H 1 2.291 0.006 . 1 . . 19 . . 11 GLN HG2 . 51400 1
94 . 1 . 1 11 11 GLN C C 13 176.110 0.009 . 1 . . 181 . . 11 GLN C . 51400 1
95 . 1 . 1 11 11 GLN CA C 13 56.515 . . 1 . . 81 . . 11 GLN CA . 51400 1
96 . 1 . 1 11 11 GLN CB C 13 29.262 0.003 . 1 . . 130 . . 11 GLN CB . 51400 1
97 . 1 . 1 11 11 GLN CG C 13 33.803 . . 1 . . 98 . . 11 GLN CG . 51400 1
98 . 1 . 1 11 11 GLN N N 15 121.044 . . 1 . . 148 . . 11 GLN N . 51400 1
99 . 1 . 1 12 12 SER H H 1 8.262 0.003 . 1 . . 31 . . 12 SER H . 51400 1
100 . 1 . 1 12 12 SER HA H 1 4.315 0.002 . 1 . . 32 . . 12 SER HA . 51400 1
101 . 1 . 1 12 12 SER HB2 H 1 3.795 0.004 . 1 . . 33 . . 12 SER HB2 . 51400 1
102 . 1 . 1 12 12 SER C C 13 174.631 0.0 . 1 . . 178 . . 12 SER C . 51400 1
103 . 1 . 1 12 12 SER CA C 13 58.736 . . 1 . . 84 . . 12 SER CA . 51400 1
104 . 1 . 1 12 12 SER CB C 13 63.679 0.058 . 1 . . 95 . . 12 SER CB . 51400 1
105 . 1 . 1 12 12 SER N N 15 116.666 . . 1 . . 155 . . 12 SER N . 51400 1
106 . 1 . 1 13 13 ARG H H 1 8.198 0.002 . 1 . . 62 . . 13 ARG H . 51400 1
107 . 1 . 1 13 13 ARG HA H 1 4.262 0.002 . 1 . . 63 . . 13 ARG HA . 51400 1
108 . 1 . 1 13 13 ARG HB2 H 1 1.666 0.005 . 2 . . 114 . . 13 ARG HB2 . 51400 1
109 . 1 . 1 13 13 ARG HB3 H 1 1.782 0.004 . 2 . . 115 . . 13 ARG HB3 . 51400 1
110 . 1 . 1 13 13 ARG HG2 H 1 1.552 0.006 . 2 . . 64 . . 13 ARG HG2 . 51400 1
111 . 1 . 1 13 13 ARG HG3 H 1 1.521 0.001 . 2 . . 65 . . 13 ARG HG3 . 51400 1
112 . 1 . 1 13 13 ARG HD2 H 1 3.089 0.003 . 1 . . 113 . . 13 ARG HD2 . 51400 1
113 . 1 . 1 13 13 ARG HE H 1 7.071 0.002 . 1 . . 162 . . 13 ARG HE . 51400 1
114 . 1 . 1 13 13 ARG C C 13 174.738 . . 1 . . 182 . . 13 ARG C . 51400 1
115 . 1 . 1 13 13 ARG CA C 13 56.178 . . 1 . . 82 . . 13 ARG CA . 51400 1
116 . 1 . 1 13 13 ARG CB C 13 30.680 0.04 . 1 . . 128 . . 13 ARG CB . 51400 1
117 . 1 . 1 13 13 ARG CG C 13 27.066 0.052 . 1 . . 123 . . 13 ARG CG . 51400 1
118 . 1 . 1 13 13 ARG CD C 13 43.367 . . 1 . . 120 . . 13 ARG CD . 51400 1
119 . 1 . 1 13 13 ARG N N 15 122.797 . . 1 . . 153 . . 13 ARG N . 51400 1
120 . 1 . 1 14 14 LYS H H 1 8.251 0.003 . 1 . . 116 . . 14 LYS H . 51400 1
121 . 1 . 1 14 14 LYS HA H 1 4.233 0.002 . 1 . . 112 . . 14 LYS HA . 51400 1
122 . 1 . 1 14 14 LYS HB2 H 1 1.668 0.004 . 2 . . 110 . . 14 LYS HB2 . 51400 1
123 . 1 . 1 14 14 LYS HB3 H 1 1.760 0.005 . 2 . . 111 . . 14 LYS HB3 . 51400 1
124 . 1 . 1 14 14 LYS HG2 H 1 1.340 0.011 . 2 . . 107 . . 14 LYS HG2 . 51400 1
125 . 1 . 1 14 14 LYS HG3 H 1 1.368 0.003 . 2 . . 108 . . 14 LYS HG3 . 51400 1
126 . 1 . 1 14 14 LYS HD2 H 1 1.584 0.004 . 1 . . 109 . . 14 LYS HD2 . 51400 1
127 . 1 . 1 14 14 LYS HE2 H 1 2.897 0.004 . 1 . . 106 . . 14 LYS HE2 . 51400 1
128 . 1 . 1 14 14 LYS HZ1 H 1 7.422 0.002 . 1 . . 164 . . 14 LYS HZ1 . 51400 1
129 . 1 . 1 14 14 LYS HZ2 H 1 7.422 0.002 . 1 . . 164 . . 14 LYS HZ2 . 51400 1
130 . 1 . 1 14 14 LYS HZ3 H 1 7.422 0.002 . 1 . . 164 . . 14 LYS HZ3 . 51400 1
131 . 1 . 1 14 14 LYS C C 13 176.612 0.009 . 1 . . 171 . . 14 LYS C . 51400 1
132 . 1 . 1 14 14 LYS CA C 13 56.503 . . 1 . . 117 . . 14 LYS CA . 51400 1
133 . 1 . 1 14 14 LYS CB C 13 33.007 0.001 . 1 . . 127 . . 14 LYS CB . 51400 1
134 . 1 . 1 14 14 LYS CG C 13 24.730 0.03 . 1 . . 122 . . 14 LYS CG . 51400 1
135 . 1 . 1 14 14 LYS CD C 13 29.087 . . 1 . . 124 . . 14 LYS CD . 51400 1
136 . 1 . 1 14 14 LYS CE C 13 42.160 0.047 . 1 . . 121 . . 14 LYS CE . 51400 1
137 . 1 . 1 14 14 LYS N N 15 122.621 . . 1 . . 160 . . 14 LYS N . 51400 1
138 . 1 . 1 15 15 SER H H 1 8.222 0.002 . 1 . . 50 . . 15 SER H . 51400 1
139 . 1 . 1 15 15 SER HA H 1 4.322 0.003 . 1 . . 51 . . 15 SER HA . 51400 1
140 . 1 . 1 15 15 SER HB2 H 1 3.794 0.001 . 2 . . 52 . . 15 SER HB2 . 51400 1
141 . 1 . 1 15 15 SER HB3 H 1 3.762 0.001 . 2 . . 53 . . 15 SER HB3 . 51400 1
142 . 1 . 1 15 15 SER C C 13 174.261 0.013 . 1 . . 172 . . 15 SER C . 51400 1
143 . 1 . 1 15 15 SER CA C 13 58.464 . . 1 . . 85 . . 15 SER CA . 51400 1
144 . 1 . 1 15 15 SER CB C 13 63.758 0.026 . 1 . . 188 . . 15 SER CB . 51400 1
145 . 1 . 1 15 15 SER N N 15 116.773 . . 1 . . 157 . . 15 SER N . 51400 1
146 . 1 . 1 16 16 GLN H H 1 8.247 0.002 . 1 . . 38 . . 16 GLN H . 51400 1
147 . 1 . 1 16 16 GLN HA H 1 4.216 0.013 . 1 . . 39 . . 16 GLN HA . 51400 1
148 . 1 . 1 16 16 GLN HB2 H 1 1.947 0.001 . 2 . . 45 . . 16 GLN HB2 . 51400 1
149 . 1 . 1 16 16 GLN HB3 H 1 1.850 0.004 . 2 . . 47 . . 16 GLN HB3 . 51400 1
150 . 1 . 1 16 16 GLN HG2 H 1 2.187 0.003 . 1 . . 43 . . 16 GLN HG2 . 51400 1
151 . 1 . 1 16 16 GLN C C 13 175.234 0.005 . 1 . . 179 . . 16 GLN C . 51400 1
152 . 1 . 1 16 16 GLN CA C 13 55.837 0.024 . 1 . . 83 . . 16 GLN CA . 51400 1
153 . 1 . 1 16 16 GLN CB C 13 29.510 0.01 . 1 . . 132 . . 16 GLN CB . 51400 1
154 . 1 . 1 16 16 GLN CG C 13 33.676 . . 1 . . 142 . . 16 GLN CG . 51400 1
155 . 1 . 1 16 16 GLN N N 15 121.848 . . 1 . . 161 . . 16 GLN N . 51400 1
156 . 1 . 1 17 17 GLN H H 1 8.198 0.003 . 1 . . 54 . . 17 GLN H . 51400 1
157 . 1 . 1 17 17 GLN HA H 1 4.171 0.003 . 1 . . 55 . . 17 GLN HA . 51400 1
158 . 1 . 1 17 17 GLN HB2 H 1 1.889 0.004 . 2 . . 58 . . 17 GLN HB2 . 51400 1
159 . 1 . 1 17 17 GLN HB3 H 1 1.798 0.005 . 2 . . 119 . . 17 GLN HB3 . 51400 1
160 . 1 . 1 17 17 GLN HG2 H 1 2.146 0.021 . 1 . . 57 . . 17 GLN HG2 . 51400 1
161 . 1 . 1 17 17 GLN C C 13 174.922 0.024 . 1 . . 176 . . 17 GLN C . 51400 1
162 . 1 . 1 17 17 GLN CA C 13 55.845 . . 1 . . 118 . . 17 GLN CA . 51400 1
163 . 1 . 1 17 17 GLN CB C 13 29.708 0.003 . 1 . . 129 . . 17 GLN CB . 51400 1
164 . 1 . 1 17 17 GLN CG C 13 33.770 0.008 . 1 . . 133 . . 17 GLN CG . 51400 1
165 . 1 . 1 17 17 GLN N N 15 121.414 . . 1 . . 154 . . 17 GLN N . 51400 1
166 . 1 . 1 18 18 TYR H H 1 7.990 0.004 . 1 . . 75 . . 18 TYR H . 51400 1
167 . 1 . 1 18 18 TYR HA H 1 4.464 0.003 . 1 . . 76 . . 18 TYR HA . 51400 1
168 . 1 . 1 18 18 TYR HB2 H 1 3.055 0.006 . 2 . . 77 . . 18 TYR HB2 . 51400 1
169 . 1 . 1 18 18 TYR HB3 H 1 2.828 0.003 . 2 . . 78 . . 18 TYR HB3 . 51400 1
170 . 1 . 1 18 18 TYR C C 13 178.414 0.034 . 1 . . 187 . . 18 TYR C . 51400 1
171 . 1 . 1 18 18 TYR CA C 13 57.661 0.002 . 1 . . 86 . . 18 TYR CA . 51400 1
172 . 1 . 1 18 18 TYR CB C 13 38.851 0.001 . 1 . . 134 . . 18 TYR CB . 51400 1
173 . 1 . 1 18 18 TYR N N 15 123.258 . . 1 . . 151 . . 18 TYR N . 51400 1
stop_
save_