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 51673
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name assigned_chemical_shifts
_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-15N HSQC' . . . 51673 1
2 '2D 1H-13C HSQC' . . . 51673 1
3 '2D 1H-1H TOCSY' . . . 51673 1
4 '2D 1H-1H ROESY' . . . 51673 1
5 '2D 1H-1H NOESY' . . . 51673 1
6 '2D 1H-13C HMBC' . . . 51673 1
7 '2D 1H-13C HSQC-TOCSY' . . . 51673 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 . . 51673 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 GLY HA2 H 1 3.763 0.004 . 1 . . 193 . . 1 GLY HA2 . 51673 1
2 . 1 . 1 1 1 GLY C C 13 169.876 0.011 . 1 . . 196 . . 1 GLY C . 51673 1
3 . 1 . 1 1 1 GLY CA C 13 43.230 . . 1 . . 222 . . 1 GLY CA . 51673 1
4 . 1 . 1 2 2 GLN H H 1 8.538 0.011 . 1 . . 13 . . 2 GLN H . 51673 1
5 . 1 . 1 2 2 GLN HA H 1 4.213 0.004 . 1 . . 81 . . 2 GLN HA . 51673 1
6 . 1 . 1 2 2 GLN HB2 H 1 1.825 0.016 . 1 . . 83 . . 2 GLN HB2 . 51673 1
7 . 1 . 1 2 2 GLN HG2 H 1 2.180 0.005 . 1 . . 82 . . 2 GLN HG2 . 51673 1
8 . 1 . 1 2 2 GLN C C 13 175.533 0.005 . 1 . . 174 . . 2 GLN C . 51673 1
9 . 1 . 1 2 2 GLN CA C 13 55.860 0.035 . 1 . . 162 . . 2 GLN CA . 51673 1
10 . 1 . 1 2 2 GLN CB C 13 29.798 0.005 . 1 . . 161 . . 2 GLN CB . 51673 1
11 . 1 . 1 2 2 GLN CG C 13 33.635 0.022 . 1 . . 160 . . 2 GLN CG . 51673 1
12 . 1 . 1 2 2 GLN CD C 13 180.211 . . 1 . . 163 . . 2 GLN CD . 51673 1
13 . 1 . 1 2 2 GLN N N 15 119.551 . . 1 . . 14 . . 2 GLN N . 51673 1
14 . 1 . 1 3 3 HIS H H 1 8.583 0.014 . 1 . . 1 . . 3 HIS H . 51673 1
15 . 1 . 1 3 3 HIS HA H 1 4.600 0.004 . 1 . . 45 . . 3 HIS HA . 51673 1
16 . 1 . 1 3 3 HIS HB2 H 1 3.104 0.014 . 2 . . 46 . . 3 HIS HB2 . 51673 1
17 . 1 . 1 3 3 HIS HB3 H 1 3.021 0.007 . 2 . . 47 . . 3 HIS HB3 . 51673 1
18 . 1 . 1 3 3 HIS HD2 H 1 7.145 0.005 . 1 . . 105 . . 3 HIS HD2 . 51673 1
19 . 1 . 1 3 3 HIS HE1 H 1 8.497 0.005 . 1 . . 150 . . 3 HIS HE1 . 51673 1
20 . 1 . 1 3 3 HIS C C 13 173.812 0.122 . 1 . . 146 . . 3 HIS C . 51673 1
21 . 1 . 1 3 3 HIS CA C 13 55.092 0.102 . 1 . . 147 . . 3 HIS CA . 51673 1
22 . 1 . 1 3 3 HIS CB C 13 29.204 0.012 . 1 . . 148 . . 3 HIS CB . 51673 1
23 . 1 . 1 3 3 HIS CG C 13 130.843 0.083 . 1 . . 145 . . 3 HIS CG . 51673 1
24 . 1 . 1 3 3 HIS CD2 C 13 120.062 0.034 . 1 . . 144 . . 3 HIS CD2 . 51673 1
25 . 1 . 1 3 3 HIS CE1 C 13 136.417 0.041 . 1 . . 149 . . 3 HIS CE1 . 51673 1
26 . 1 . 1 3 3 HIS N N 15 120.361 . . 1 . . 2 . . 3 HIS N . 51673 1
27 . 1 . 1 4 4 TYR H H 1 8.343 0.014 . 1 . . 41 . . 4 TYR H . 51673 1
28 . 1 . 1 4 4 TYR HA H 1 4.550 0.002 . 1 . . 64 . . 4 TYR HA . 51673 1
29 . 1 . 1 4 4 TYR HB2 H 1 2.912 0.006 . 2 . . 103 . . 4 TYR HB2 . 51673 1
30 . 1 . 1 4 4 TYR HB3 H 1 2.861 0.007 . 2 . . 104 . . 4 TYR HB3 . 51673 1
31 . 1 . 1 4 4 TYR HD1 H 1 7.036 0.005 . 1 . . 192 . . 4 TYR HD1 . 51673 1
32 . 1 . 1 4 4 TYR HD2 H 1 7.036 0.005 . 1 . . 192 . . 4 TYR HD2 . 51673 1
33 . 1 . 1 4 4 TYR C C 13 175.603 0.011 . 1 . . 151 . . 4 TYR C . 51673 1
34 . 1 . 1 4 4 TYR CA C 13 57.819 0.006 . 1 . . 154 . . 4 TYR CA . 51673 1
35 . 1 . 1 4 4 TYR CB C 13 39.124 0.006 . 1 . . 155 . . 4 TYR CB . 51673 1
36 . 1 . 1 4 4 TYR CG C 13 130.284 0.003 . 1 . . 152 . . 4 TYR CG . 51673 1
37 . 1 . 1 4 4 TYR CD1 C 13 133.255 0.003 . 1 . . 153 . . 4 TYR CD1 . 51673 1
38 . 1 . 1 4 4 TYR CD2 C 13 133.255 0.003 . 1 . . 153 . . 4 TYR CD2 . 51673 1
39 . 1 . 1 4 4 TYR N N 15 123.045 . . 1 . . 42 . . 4 TYR N . 51673 1
40 . 1 . 1 5 5 SER H H 1 8.354 0.013 . 1 . . 23 . . 5 SER H . 51673 1
41 . 1 . 1 5 5 SER HA H 1 4.344 0.009 . 1 . . 106 . . 5 SER HA . 51673 1
42 . 1 . 1 5 5 SER HB2 H 1 3.736 0.014 . 1 . . 107 . . 5 SER HB2 . 51673 1
43 . 1 . 1 5 5 SER C C 13 174.635 0.101 . 1 . . 191 . . 5 SER C . 51673 1
44 . 1 . 1 5 5 SER CA C 13 58.187 0.062 . 1 . . 183 . . 5 SER CA . 51673 1
45 . 1 . 1 5 5 SER CB C 13 63.962 0.094 . 1 . . 182 . . 5 SER CB . 51673 1
46 . 1 . 1 5 5 SER N N 15 119.126 . . 1 . . 24 . . 5 SER N . 51673 1
47 . 1 . 1 6 6 GLY H H 1 7.718 0.007 . 1 . . 17 . . 6 GLY H . 51673 1
48 . 1 . 1 6 6 GLY HA2 H 1 3.834 0.006 . 1 . . 88 . . 6 GLY HA2 . 51673 1
49 . 1 . 1 6 6 GLY C C 13 174.521 . . 1 . . 202 . . 6 GLY C . 51673 1
50 . 1 . 1 6 6 GLY CA C 13 45.288 0.025 . 1 . . 184 . . 6 GLY CA . 51673 1
51 . 1 . 1 6 6 GLY N N 15 110.237 . . 1 . . 18 . . 6 GLY N . 51673 1
52 . 1 . 1 7 7 GLN H H 1 8.172 0.005 . 1 . . 7 . . 7 GLN H . 51673 1
53 . 1 . 1 7 7 GLN HA H 1 4.238 0.007 . 1 . . 69 . . 7 GLN HA . 51673 1
54 . 1 . 1 7 7 GLN HB2 H 1 1.993 0.005 . 2 . . 71 . . 7 GLN HB2 . 51673 1
55 . 1 . 1 7 7 GLN HB3 H 1 1.865 0.008 . 2 . . 72 . . 7 GLN HB3 . 51673 1
56 . 1 . 1 7 7 GLN HG2 H 1 2.264 0.005 . 1 . . 70 . . 7 GLN HG2 . 51673 1
57 . 1 . 1 7 7 GLN C C 13 176.344 0.017 . 1 . . 205 . . 7 GLN C . 51673 1
58 . 1 . 1 7 7 GLN CA C 13 55.917 0.044 . 1 . . 209 . . 7 GLN CA . 51673 1
59 . 1 . 1 7 7 GLN CG C 13 33.742 . . 1 . . 210 . . 7 GLN CG . 51673 1
60 . 1 . 1 7 7 GLN CD C 13 180.433 . . 1 . . 211 . . 7 GLN CD . 51673 1
61 . 1 . 1 7 7 GLN N N 15 119.804 . . 1 . . 8 . . 7 GLN N . 51673 1
62 . 1 . 1 8 8 LYS H H 1 8.396 0.003 . 1 . . 27 . . 8 LYS H . 51673 1
63 . 1 . 1 8 8 LYS HA H 1 4.214 0.003 . 1 . . 118 . . 8 LYS HA . 51673 1
64 . 1 . 1 8 8 LYS HB2 H 1 1.672 0.005 . 2 . . 98 . . 8 LYS HB2 . 51673 1
65 . 1 . 1 8 8 LYS HB3 H 1 1.746 0.006 . 2 . . 99 . . 8 LYS HB3 . 51673 1
66 . 1 . 1 8 8 LYS HG2 H 1 1.324 0.009 . 2 . . 95 . . 8 LYS HG2 . 51673 1
67 . 1 . 1 8 8 LYS HG3 H 1 1.366 0.002 . 2 . . 96 . . 8 LYS HG3 . 51673 1
68 . 1 . 1 8 8 LYS HD2 H 1 1.567 0.007 . 1 . . 97 . . 8 LYS HD2 . 51673 1
69 . 1 . 1 8 8 LYS HE2 H 1 2.894 0.009 . 1 . . 108 . . 8 LYS HE2 . 51673 1
70 . 1 . 1 8 8 LYS C C 13 176.809 . . 1 . . 227 . . 8 LYS C . 51673 1
71 . 1 . 1 8 8 LYS CA C 13 56.069 . . 1 . . 207 . . 8 LYS CA . 51673 1
72 . 1 . 1 8 8 LYS CB C 13 33.064 . . 1 . . 224 . . 8 LYS CB . 51673 1
73 . 1 . 1 8 8 LYS CG C 13 24.833 . . 1 . . 225 . . 8 LYS CG . 51673 1
74 . 1 . 1 8 8 LYS CE C 13 42.208 . . 1 . . 223 . . 8 LYS CE . 51673 1
75 . 1 . 1 8 8 LYS N N 15 123.076 . . 1 . . 28 . . 8 LYS N . 51673 1
76 . 1 . 1 9 9 GLY H H 1 8.320 0.016 . 1 . . 19 . . 9 GLY H . 51673 1
77 . 1 . 1 9 9 GLY HA2 H 1 3.868 0.007 . 1 . . 119 . . 9 GLY HA2 . 51673 1
78 . 1 . 1 9 9 GLY C C 13 173.993 0.079 . 1 . . 197 . . 9 GLY C . 51673 1
79 . 1 . 1 9 9 GLY CA C 13 45.237 0.047 . 1 . . 185 . . 9 GLY CA . 51673 1
80 . 1 . 1 9 9 GLY N N 15 110.045 . . 1 . . 20 . . 9 GLY N . 51673 1
81 . 1 . 1 10 10 LYS H H 1 8.110 0.004 . 1 . . 39 . . 10 LYS H . 51673 1
82 . 1 . 1 10 10 LYS HA H 1 4.218 0.006 . 1 . . 59 . . 10 LYS HA . 51673 1
83 . 1 . 1 10 10 LYS HB2 H 1 1.731 0.005 . 2 . . 60 . . 10 LYS HB2 . 51673 1
84 . 1 . 1 10 10 LYS HB3 H 1 1.641 0.004 . 2 . . 61 . . 10 LYS HB3 . 51673 1
85 . 1 . 1 10 10 LYS HG2 H 1 1.315 0.009 . 1 . . 63 . . 10 LYS HG2 . 51673 1
86 . 1 . 1 10 10 LYS HD2 H 1 1.579 0.005 . 1 . . 62 . . 10 LYS HD2 . 51673 1
87 . 1 . 1 10 10 LYS HE2 H 1 2.895 0.003 . 1 . . 110 . . 10 LYS HE2 . 51673 1
88 . 1 . 1 10 10 LYS C C 13 176.606 . . 1 . . 203 . . 10 LYS C . 51673 1
89 . 1 . 1 10 10 LYS CA C 13 56.597 0.156 . 1 . . 168 . . 10 LYS CA . 51673 1
90 . 1 . 1 10 10 LYS CB C 13 33.093 0.042 . 1 . . 166 . . 10 LYS CB . 51673 1
91 . 1 . 1 10 10 LYS CG C 13 24.749 0.048 . 1 . . 165 . . 10 LYS CG . 51673 1
92 . 1 . 1 10 10 LYS CD C 13 29.065 0.01 . 1 . . 164 . . 10 LYS CD . 51673 1
93 . 1 . 1 10 10 LYS CE C 13 42.192 0.034 . 1 . . 167 . . 10 LYS CE . 51673 1
94 . 1 . 1 10 10 LYS N N 15 120.866 . . 1 . . 40 . . 10 LYS N . 51673 1
95 . 1 . 1 11 11 GLN H H 1 8.388 0.004 . 1 . . 25 . . 11 GLN H . 51673 1
96 . 1 . 1 11 11 GLN HA H 1 4.225 0.005 . 1 . . 124 . . 11 GLN HA . 51673 1
97 . 1 . 1 11 11 GLN HB2 H 1 1.989 0.003 . 2 . . 93 . . 11 GLN HB2 . 51673 1
98 . 1 . 1 11 11 GLN HB3 H 1 1.890 0.006 . 2 . . 94 . . 11 GLN HB3 . 51673 1
99 . 1 . 1 11 11 GLN HG2 H 1 2.263 0.004 . 1 . . 92 . . 11 GLN HG2 . 51673 1
100 . 1 . 1 11 11 GLN C C 13 175.971 . . 1 . . 204 . . 11 GLN C . 51673 1
101 . 1 . 1 11 11 GLN CA C 13 55.969 . . 1 . . 220 . . 11 GLN CA . 51673 1
102 . 1 . 1 11 11 GLN CB C 13 29.845 . . 1 . . 201 . . 11 GLN CB . 51673 1
103 . 1 . 1 11 11 GLN N N 15 121.724 . . 1 . . 26 . . 11 GLN N . 51673 1
104 . 1 . 1 12 12 GLN H H 1 8.432 0.004 . 1 . . 15 . . 12 GLN H . 51673 1
105 . 1 . 1 12 12 GLN HA H 1 4.311 0.003 . 1 . . 84 . . 12 GLN HA . 51673 1
106 . 1 . 1 12 12 GLN HB2 H 1 2.020 0.009 . 2 . . 86 . . 12 GLN HB2 . 51673 1
107 . 1 . 1 12 12 GLN HB3 H 1 1.901 0.012 . 2 . . 87 . . 12 GLN HB3 . 51673 1
108 . 1 . 1 12 12 GLN HG2 H 1 2.271 0.004 . 1 . . 85 . . 12 GLN HG2 . 51673 1
109 . 1 . 1 12 12 GLN HE21 H 1 7.432 0.001 . 1 . . 117 . . 12 GLN HE21 . 51673 1
110 . 1 . 1 12 12 GLN HE22 H 1 6.775 0.004 . 1 . . 115 . . 12 GLN HE22 . 51673 1
111 . 1 . 1 12 12 GLN C C 13 175.958 0.02 . 1 . . 172 . . 12 GLN C . 51673 1
112 . 1 . 1 12 12 GLN CA C 13 55.951 0.045 . 1 . . 138 . . 12 GLN CA . 51673 1
113 . 1 . 1 12 12 GLN CB C 13 29.581 0.097 . 1 . . 137 . . 12 GLN CB . 51673 1
114 . 1 . 1 12 12 GLN CG C 13 33.758 0.029 . 1 . . 136 . . 12 GLN CG . 51673 1
115 . 1 . 1 12 12 GLN CD C 13 180.438 0.011 . 1 . . 139 . . 12 GLN CD . 51673 1
116 . 1 . 1 12 12 GLN N N 15 122.226 . . 1 . . 16 . . 12 GLN N . 51673 1
117 . 1 . 1 12 12 GLN NE2 N 15 112.286 0.011 . 1 . . 116 . . 12 GLN NE2 . 51673 1
118 . 1 . 1 13 13 THR H H 1 8.159 0.012 . 1 . . 5 . . 13 THR H . 51673 1
119 . 1 . 1 13 13 THR HA H 1 4.251 0.009 . 1 . . 125 . . 13 THR HA . 51673 1
120 . 1 . 1 13 13 THR HB H 1 4.113 0.005 . 1 . . 67 . . 13 THR HB . 51673 1
121 . 1 . 1 13 13 THR HG21 H 1 1.110 0.005 . 1 . . 68 . . 13 THR HG21 . 51673 1
122 . 1 . 1 13 13 THR HG22 H 1 1.110 0.005 . 1 . . 68 . . 13 THR HG22 . 51673 1
123 . 1 . 1 13 13 THR HG23 H 1 1.110 0.005 . 1 . . 68 . . 13 THR HG23 . 51673 1
124 . 1 . 1 13 13 THR C C 13 174.439 . . 1 . . 134 . . 13 THR C . 51673 1
125 . 1 . 1 13 13 THR CA C 13 61.987 0.017 . 1 . . 132 . . 13 THR CA . 51673 1
126 . 1 . 1 13 13 THR CB C 13 69.824 0.036 . 1 . . 133 . . 13 THR CB . 51673 1
127 . 1 . 1 13 13 THR CG2 C 13 21.627 . . 1 . . 128 . . 13 THR CG2 . 51673 1
128 . 1 . 1 13 13 THR N N 15 115.807 . . 1 . . 6 . . 13 THR N . 51673 1
129 . 1 . 1 14 14 GLU H H 1 8.351 0.004 . 1 . . 3 . . 14 GLU H . 51673 1
130 . 1 . 1 14 14 GLU HB2 H 1 2.029 0.012 . 2 . . 113 . . 14 GLU HB2 . 51673 1
131 . 1 . 1 14 14 GLU HB3 H 1 1.884 0.005 . 2 . . 114 . . 14 GLU HB3 . 51673 1
132 . 1 . 1 14 14 GLU HG2 H 1 2.340 0.015 . 1 . . 112 . . 14 GLU HG2 . 51673 1
133 . 1 . 1 14 14 GLU C C 13 176.000 0.083 . 1 . . 173 . . 14 GLU C . 51673 1
134 . 1 . 1 14 14 GLU CA C 13 55.809 . . 1 . . 217 . . 14 GLU CA . 51673 1
135 . 1 . 1 14 14 GLU CB C 13 29.276 0.133 . 1 . . 170 . . 14 GLU CB . 51673 1
136 . 1 . 1 14 14 GLU CG C 13 33.385 0.075 . 1 . . 169 . . 14 GLU CG . 51673 1
137 . 1 . 1 14 14 GLU CD C 13 180.437 0.053 . 1 . . 171 . . 14 GLU CD . 51673 1
138 . 1 . 1 14 14 GLU N N 15 122.987 . . 1 . . 4 . . 14 GLU N . 51673 1
139 . 1 . 1 15 15 SER H H 1 8.310 0.013 . 1 . . 37 . . 15 SER H . 51673 1
140 . 1 . 1 15 15 SER HA H 1 4.359 0.007 . 1 . . 48 . . 15 SER HA . 51673 1
141 . 1 . 1 15 15 SER HB2 H 1 3.771 0.006 . 1 . . 49 . . 15 SER HB2 . 51673 1
142 . 1 . 1 15 15 SER C C 13 174.525 0.024 . 1 . . 200 . . 15 SER C . 51673 1
143 . 1 . 1 15 15 SER CA C 13 58.369 . . 1 . . 189 . . 15 SER CA . 51673 1
144 . 1 . 1 15 15 SER CB C 13 63.908 0.005 . 1 . . 190 . . 15 SER CB . 51673 1
145 . 1 . 1 15 15 SER N N 15 117.444 . . 1 . . 38 . . 15 SER N . 51673 1
146 . 1 . 1 16 16 LYS H H 1 8.371 0.003 . 1 . . 33 . . 16 LYS H . 51673 1
147 . 1 . 1 16 16 LYS HA H 1 4.250 0.005 . 1 . . 50 . . 16 LYS HA . 51673 1
148 . 1 . 1 16 16 LYS HB2 H 1 1.780 0.009 . 2 . . 51 . . 16 LYS HB2 . 51673 1
149 . 1 . 1 16 16 LYS HB3 H 1 1.686 0.011 . 2 . . 52 . . 16 LYS HB3 . 51673 1
150 . 1 . 1 16 16 LYS HG2 H 1 1.335 0.003 . 2 . . 54 . . 16 LYS HG2 . 51673 1
151 . 1 . 1 16 16 LYS HG3 H 1 1.373 0.001 . 2 . . 55 . . 16 LYS HG3 . 51673 1
152 . 1 . 1 16 16 LYS HD2 H 1 1.587 0.003 . 1 . . 53 . . 16 LYS HD2 . 51673 1
153 . 1 . 1 16 16 LYS HE2 H 1 2.896 0.003 . 1 . . 109 . . 16 LYS HE2 . 51673 1
154 . 1 . 1 16 16 LYS HZ1 H 1 7.429 0.002 . 1 . . 111 . . 16 LYS HZ1 . 51673 1
155 . 1 . 1 16 16 LYS HZ2 H 1 7.429 0.002 . 1 . . 111 . . 16 LYS HZ2 . 51673 1
156 . 1 . 1 16 16 LYS HZ3 H 1 7.429 0.002 . 1 . . 111 . . 16 LYS HZ3 . 51673 1
157 . 1 . 1 16 16 LYS C C 13 176.915 . . 1 . . 206 . . 16 LYS C . 51673 1
158 . 1 . 1 16 16 LYS CA C 13 56.593 . . 1 . . 216 . . 16 LYS CA . 51673 1
159 . 1 . 1 16 16 LYS CB C 13 32.986 0.002 . 1 . . 214 . . 16 LYS CB . 51673 1
160 . 1 . 1 16 16 LYS CG C 13 24.670 0.029 . 1 . . 213 . . 16 LYS CG . 51673 1
161 . 1 . 1 16 16 LYS CD C 13 29.066 . . 1 . . 215 . . 16 LYS CD . 51673 1
162 . 1 . 1 16 16 LYS N N 15 123.395 . . 1 . . 34 . . 16 LYS N . 51673 1
163 . 1 . 1 17 17 GLY H H 1 8.310 0.004 . 1 . . 31 . . 17 GLY H . 51673 1
164 . 1 . 1 17 17 GLY HA2 H 1 3.857 0.008 . 1 . . 120 . . 17 GLY HA2 . 51673 1
165 . 1 . 1 17 17 GLY C C 13 173.929 0.064 . 1 . . 198 . . 17 GLY C . 51673 1
166 . 1 . 1 17 17 GLY CA C 13 45.260 . . 1 . . 221 . . 17 GLY CA . 51673 1
167 . 1 . 1 17 17 GLY N N 15 109.870 . . 1 . . 32 . . 17 GLY N . 51673 1
168 . 1 . 1 18 18 SER H H 1 8.041 0.01 . 1 . . 11 . . 18 SER H . 51673 1
169 . 1 . 1 18 18 SER HA H 1 4.326 0.005 . 1 . . 80 . . 18 SER HA . 51673 1
170 . 1 . 1 18 18 SER HB2 H 1 3.684 0.004 . 1 . . 79 . . 18 SER HB2 . 51673 1
171 . 1 . 1 18 18 SER C C 13 174.217 0.105 . 1 . . 199 . . 18 SER C . 51673 1
172 . 1 . 1 18 18 SER CA C 13 58.328 . . 1 . . 188 . . 18 SER CA . 51673 1
173 . 1 . 1 18 18 SER CB C 13 63.856 . . 1 . . 187 . . 18 SER CB . 51673 1
174 . 1 . 1 18 18 SER N N 15 115.537 . . 1 . . 12 . . 18 SER N . 51673 1
175 . 1 . 1 19 19 PHE H H 1 8.141 0.003 . 1 . . 29 . . 19 PHE H . 51673 1
176 . 1 . 1 19 19 PHE HA H 1 4.604 0.008 . 1 . . 100 . . 19 PHE HA . 51673 1
177 . 1 . 1 19 19 PHE HB2 H 1 3.083 0.007 . 2 . . 101 . . 19 PHE HB2 . 51673 1
178 . 1 . 1 19 19 PHE HB3 H 1 2.945 0.005 . 2 . . 102 . . 19 PHE HB3 . 51673 1
179 . 1 . 1 19 19 PHE HD1 H 1 7.164 0.004 . 1 . . 121 . . 19 PHE HD1 . 51673 1
180 . 1 . 1 19 19 PHE HD2 H 1 7.164 0.004 . 1 . . 121 . . 19 PHE HD2 . 51673 1
181 . 1 . 1 19 19 PHE C C 13 175.444 0.036 . 1 . . 143 . . 19 PHE C . 51673 1
182 . 1 . 1 19 19 PHE CA C 13 57.649 0.042 . 1 . . 142 . . 19 PHE CA . 51673 1
183 . 1 . 1 19 19 PHE CB C 13 39.770 . . 1 . . 212 . . 19 PHE CB . 51673 1
184 . 1 . 1 19 19 PHE CG C 13 138.854 0.016 . 1 . . 140 . . 19 PHE CG . 51673 1
185 . 1 . 1 19 19 PHE CD1 C 13 131.907 0.017 . 1 . . 141 . . 19 PHE CD1 . 51673 1
186 . 1 . 1 19 19 PHE CD2 C 13 131.907 0.017 . 1 . . 141 . . 19 PHE CD2 . 51673 1
187 . 1 . 1 19 19 PHE N N 15 121.696 . . 1 . . 30 . . 19 PHE N . 51673 1
188 . 1 . 1 20 20 SER H H 1 8.076 0.008 . 1 . . 43 . . 20 SER H . 51673 1
189 . 1 . 1 20 20 SER HA H 1 4.353 0.004 . 1 . . 65 . . 20 SER HA . 51673 1
190 . 1 . 1 20 20 SER HB2 H 1 3.693 0.005 . 1 . . 66 . . 20 SER HB2 . 51673 1
191 . 1 . 1 20 20 SER C C 13 173.808 0.074 . 1 . . 180 . . 20 SER C . 51673 1
192 . 1 . 1 20 20 SER CA C 13 58.112 . . 1 . . 186 . . 20 SER CA . 51673 1
193 . 1 . 1 20 20 SER CB C 13 63.942 0.042 . 1 . . 179 . . 20 SER CB . 51673 1
194 . 1 . 1 20 20 SER N N 15 117.336 . . 1 . . 44 . . 20 SER N . 51673 1
195 . 1 . 1 21 21 ILE H H 1 7.988 0.01 . 1 . . 9 . . 21 ILE H . 51673 1
196 . 1 . 1 21 21 ILE HA H 1 4.015 0.005 . 1 . . 73 . . 21 ILE HA . 51673 1
197 . 1 . 1 21 21 ILE HB H 1 1.668 0.004 . 1 . . 74 . . 21 ILE HB . 51673 1
198 . 1 . 1 21 21 ILE HG12 H 1 1.322 0.004 . 2 . . 75 . . 21 ILE HG12 . 51673 1
199 . 1 . 1 21 21 ILE HG13 H 1 1.020 0.004 . 2 . . 76 . . 21 ILE HG13 . 51673 1
200 . 1 . 1 21 21 ILE HG21 H 1 0.642 0.004 . 1 . . 78 . . 21 ILE HG21 . 51673 1
201 . 1 . 1 21 21 ILE HG22 H 1 0.642 0.004 . 1 . . 78 . . 21 ILE HG22 . 51673 1
202 . 1 . 1 21 21 ILE HG23 H 1 0.642 0.004 . 1 . . 78 . . 21 ILE HG23 . 51673 1
203 . 1 . 1 21 21 ILE HD11 H 1 0.759 0.003 . 1 . . 77 . . 21 ILE HD11 . 51673 1
204 . 1 . 1 21 21 ILE HD12 H 1 0.759 0.003 . 1 . . 77 . . 21 ILE HD12 . 51673 1
205 . 1 . 1 21 21 ILE HD13 H 1 0.759 0.003 . 1 . . 77 . . 21 ILE HD13 . 51673 1
206 . 1 . 1 21 21 ILE C C 13 175.430 0.002 . 1 . . 135 . . 21 ILE C . 51673 1
207 . 1 . 1 21 21 ILE CA C 13 61.149 0.047 . 1 . . 131 . . 21 ILE CA . 51673 1
208 . 1 . 1 21 21 ILE CB C 13 38.884 0.005 . 1 . . 130 . . 21 ILE CB . 51673 1
209 . 1 . 1 21 21 ILE CG1 C 13 27.360 0.024 . 1 . . 129 . . 21 ILE CG1 . 51673 1
210 . 1 . 1 21 21 ILE CG2 C 13 17.331 0.038 . 1 . . 127 . . 21 ILE CG2 . 51673 1
211 . 1 . 1 21 21 ILE CD1 C 13 13.012 . . 1 . . 126 . . 21 ILE CD1 . 51673 1
212 . 1 . 1 21 21 ILE N N 15 122.606 . . 1 . . 10 . . 21 ILE N . 51673 1
213 . 1 . 1 22 22 GLN H H 1 8.182 0.008 . 1 . . 21 . . 22 GLN H . 51673 1
214 . 1 . 1 22 22 GLN HA H 1 4.229 0.004 . 1 . . 123 . . 22 GLN HA . 51673 1
215 . 1 . 1 22 22 GLN HB2 H 1 1.916 0.001 . 2 . . 90 . . 22 GLN HB2 . 51673 1
216 . 1 . 1 22 22 GLN HB3 H 1 1.792 0.007 . 2 . . 91 . . 22 GLN HB3 . 51673 1
217 . 1 . 1 22 22 GLN HG2 H 1 2.177 0.003 . 1 . . 89 . . 22 GLN HG2 . 51673 1
218 . 1 . 1 22 22 GLN C C 13 174.766 0.002 . 1 . . 177 . . 22 GLN C . 51673 1
219 . 1 . 1 22 22 GLN CA C 13 55.755 0.127 . 1 . . 176 . . 22 GLN CA . 51673 1
220 . 1 . 1 22 22 GLN CB C 13 29.865 0.006 . 1 . . 208 . . 22 GLN CB . 51673 1
221 . 1 . 1 22 22 GLN CG C 13 33.549 . . 1 . . 175 . . 22 GLN CG . 51673 1
222 . 1 . 1 22 22 GLN CD C 13 180.390 . . 1 . . 178 . . 22 GLN CD . 51673 1
223 . 1 . 1 22 22 GLN N N 15 124.352 . . 1 . . 22 . . 22 GLN N . 51673 1
224 . 1 . 1 23 23 TYR H H 1 7.940 0.014 . 1 . . 35 . . 23 TYR H . 51673 1
225 . 1 . 1 23 23 TYR HA H 1 4.407 0.006 . 1 . . 56 . . 23 TYR HA . 51673 1
226 . 1 . 1 23 23 TYR HB2 H 1 3.030 0.007 . 2 . . 57 . . 23 TYR HB2 . 51673 1
227 . 1 . 1 23 23 TYR HB3 H 1 2.793 0.006 . 2 . . 58 . . 23 TYR HB3 . 51673 1
228 . 1 . 1 23 23 TYR HD1 H 1 7.028 0.004 . 1 . . 122 . . 23 TYR HD1 . 51673 1
229 . 1 . 1 23 23 TYR HD2 H 1 7.028 0.004 . 1 . . 122 . . 23 TYR HD2 . 51673 1
230 . 1 . 1 23 23 TYR CA C 13 58.257 0.064 . 1 . . 158 . . 23 TYR CA . 51673 1
231 . 1 . 1 23 23 TYR CB C 13 39.044 0.043 . 1 . . 159 . . 23 TYR CB . 51673 1
232 . 1 . 1 23 23 TYR CG C 13 131.373 . . 1 . . 156 . . 23 TYR CG . 51673 1
233 . 1 . 1 23 23 TYR CD1 C 13 133.083 0.02 . 1 . . 157 . . 23 TYR CD1 . 51673 1
234 . 1 . 1 23 23 TYR CD2 C 13 133.083 0.02 . 1 . . 157 . . 23 TYR CD2 . 51673 1
235 . 1 . 1 23 23 TYR CE1 C 13 118.144 . . 1 . . 218 . . 23 TYR CE1 . 51673 1
236 . 1 . 1 23 23 TYR CE2 C 13 118.144 . . 1 . . 218 . . 23 TYR CE2 . 51673 1
237 . 1 . 1 23 23 TYR CZ C 13 156.998 . . 1 . . 219 . . 23 TYR CZ . 51673 1
238 . 1 . 1 23 23 TYR N N 15 125.028 . . 1 . . 36 . . 23 TYR N . 51673 1
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