Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 26803
_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
_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' . . . 26803 1
2 '3D HNCO' . . . 26803 1
3 '3D HNCA' . . . 26803 1
4 '3D HCACO' . . . 26803 1
5 '3D CBCA(CO)NH' . . . 26803 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 $NMRPipe . . 26803 1
2 $SPARKY . . 26803 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 3 3 GLN C C 13 175.901 0.054 . . . . . . 1 Q CO . 26803 1
2 . 1 1 3 3 GLN CA C 13 55.234 0.000 . . . . . . 1 Q CA . 26803 1
3 . 1 1 3 3 GLN CB C 13 30.730 0.000 . . . . . . 1 Q CB . 26803 1
4 . 1 1 4 4 LEU H H 1 8.674 0.031 . . . . . . 2 L H . 26803 1
5 . 1 1 4 4 LEU C C 13 176.102 0.000 . . . . . . 2 L CO . 26803 1
6 . 1 1 4 4 LEU CA C 13 56.574 0.021 . . . . . . 2 L CA . 26803 1
7 . 1 1 4 4 LEU CB C 13 43.454 0.021 . . . . . . 2 L CB . 26803 1
8 . 1 1 4 4 LEU N N 15 128.073 0.100 . . . . . . 2 L N . 26803 1
9 . 1 1 5 5 THR H H 1 8.368 0.068 . . . . . . 3 T H . 26803 1
10 . 1 1 5 5 THR C C 13 171.852 0.000 . . . . . . 3 T CO . 26803 1
11 . 1 1 5 5 THR CA C 13 60.983 0.007 . . . . . . 3 T CA . 26803 1
12 . 1 1 5 5 THR CB C 13 72.370 0.009 . . . . . . 3 T CB . 26803 1
13 . 1 1 5 5 THR N N 15 120.400 0.107 . . . . . . 3 T N . 26803 1
14 . 1 1 6 6 THR H H 1 8.617 0.018 . . . . . . 4 T H . 26803 1
15 . 1 1 6 6 THR C C 13 172.916 0.000 . . . . . . 4 T CO . 26803 1
16 . 1 1 6 6 THR CA C 13 59.243 0.000 . . . . . . 4 T CA . 26803 1
17 . 1 1 6 6 THR CB C 13 71.577 0.014 . . . . . . 4 T CB . 26803 1
18 . 1 1 6 6 THR N N 15 114.444 0.075 . . . . . . 4 T N . 26803 1
19 . 1 1 7 7 GLU H H 1 8.679 0.033 . . . . . . 5 E H . 26803 1
20 . 1 1 7 7 GLU C C 13 174.050 0.069 . . . . . . 5 E CO . 26803 1
21 . 1 1 7 7 GLU CA C 13 55.042 0.003 . . . . . . 5 E CA . 26803 1
22 . 1 1 7 7 GLU CB C 13 34.176 0.005 . . . . . . 5 E CB . 26803 1
23 . 1 1 7 7 GLU N N 15 124.301 0.043 . . . . . . 5 E N . 26803 1
24 . 1 1 8 8 SER H H 1 8.758 0.047 . . . . . . 6 S H . 26803 1
25 . 1 1 8 8 SER C C 13 173.462 0.058 . . . . . . 6 S CO . 26803 1
26 . 1 1 8 8 SER CA C 13 57.642 0.006 . . . . . . 6 S CA . 26803 1
27 . 1 1 8 8 SER CB C 13 64.295 0.024 . . . . . . 6 S CB . 26803 1
28 . 1 1 8 8 SER N N 15 120.766 0.030 . . . . . . 6 S N . 26803 1
29 . 1 1 9 9 MET H H 1 9.260 0.000 . . . . . . 7 M H . 26803 1
30 . 1 1 9 9 MET C C 13 173.292 0.000 . . . . . . 7 M CO . 26803 1
31 . 1 1 9 9 MET CA C 13 51.613 0.006 . . . . . . 7 M CA . 26803 1
32 . 1 1 9 9 MET N N 15 124.343 0.041 . . . . . . 7 M N . 26803 1
33 . 1 1 10 10 PRO C C 13 173.123 0.031 . . . . . . 8 P CO . 26803 1
34 . 1 1 10 10 PRO CA C 13 63.788 0.000 . . . . . . 8 P CA . 26803 1
35 . 1 1 10 10 PRO CB C 13 34.243 0.000 . . . . . . 8 P CB . 26803 1
36 . 1 1 11 11 PHE H H 1 7.864 0.017 . . . . . . 9 F H . 26803 1
37 . 1 1 11 11 PHE C C 13 174.512 0.000 . . . . . . 9 F CO . 26803 1
38 . 1 1 11 11 PHE CA C 13 60.722 0.014 . . . . . . 9 F CA . 26803 1
39 . 1 1 11 11 PHE CB C 13 40.391 0.012 . . . . . . 9 F CB . 26803 1
40 . 1 1 11 11 PHE N N 15 114.623 0.072 . . . . . . 9 F N . 26803 1
41 . 1 1 12 12 ASN H H 1 7.648 0.125 . . . . . . 10 N H . 26803 1
42 . 1 1 12 12 ASN C C 13 173.642 0.000 . . . . . . 10 N CO . 26803 1
43 . 1 1 12 12 ASN CA C 13 51.918 0.020 . . . . . . 10 N CA . 26803 1
44 . 1 1 12 12 ASN CB C 13 40.382 0.011 . . . . . . 10 N CB . 26803 1
45 . 1 1 12 12 ASN N N 15 114.267 0.064 . . . . . . 10 N N . 26803 1
46 . 1 1 13 13 VAL H H 1 9.286 0.015 . . . . . . 11 V H . 26803 1
47 . 1 1 13 13 VAL C C 13 172.291 0.000 . . . . . . 11 V CO . 26803 1
48 . 1 1 13 13 VAL CA C 13 59.723 0.003 . . . . . . 11 V CA . 26803 1
49 . 1 1 13 13 VAL CB C 13 35.343 0.013 . . . . . . 11 V CB . 26803 1
50 . 1 1 13 13 VAL N N 15 125.819 0.069 . . . . . . 11 V N . 26803 1
51 . 1 1 14 14 ALA H H 1 8.080 0.135 . . . . . . 12 A H . 26803 1
52 . 1 1 14 14 ALA C C 13 176.944 0.000 . . . . . . 12 A CO . 26803 1
53 . 1 1 14 14 ALA CA C 13 51.270 0.018 . . . . . . 12 A CA . 26803 1
54 . 1 1 14 14 ALA CB C 13 18.879 0.018 . . . . . . 12 A CB . 26803 1
55 . 1 1 14 14 ALA N N 15 130.575 0.106 . . . . . . 12 A N . 26803 1
56 . 1 1 15 15 GLU H H 1 7.784 0.011 . . . . . . 13 E H . 26803 1
57 . 1 1 15 15 GLU C C 13 176.569 0.000 . . . . . . 13 E CO . 26803 1
58 . 1 1 15 15 GLU CA C 13 58.072 0.013 . . . . . . 13 E CA . 26803 1
59 . 1 1 15 15 GLU CB C 13 30.189 0.010 . . . . . . 13 E CB . 26803 1
60 . 1 1 15 15 GLU N N 15 119.123 0.016 . . . . . . 13 E N . 26803 1
61 . 1 1 16 16 GLY H H 1 9.194 0.000 . . . . . . 14 G H . 26803 1
62 . 1 1 16 16 GLY C C 13 175.124 0.000 . . . . . . 14 G CO . 26803 1
63 . 1 1 16 16 GLY CA C 13 44.416 0.018 . . . . . . 14 G CA . 26803 1
64 . 1 1 16 16 GLY N N 15 112.727 0.118 . . . . . . 14 G N . 26803 1
65 . 1 1 23 23 VAL C C 13 174.781 0.010 . . . . . . 21 V CO . 26803 1
66 . 1 1 23 23 VAL CA C 13 61.785 0.000 . . . . . . 21 V CA . 26803 1
67 . 1 1 23 23 VAL CB C 13 34.204 0.000 . . . . . . 21 V CB . 26803 1
68 . 1 1 24 24 HIS H H 1 8.907 0.077 . . . . . . 22 H H . 26803 1
69 . 1 1 24 24 HIS C C 13 174.498 0.000 . . . . . . 22 H CO . 26803 1
70 . 1 1 24 24 HIS CA C 13 54.164 0.014 . . . . . . 22 H CA . 26803 1
71 . 1 1 24 24 HIS CB C 13 33.868 0.006 . . . . . . 22 H CB . 26803 1
72 . 1 1 24 24 HIS N N 15 126.416 0.117 . . . . . . 22 H N . 26803 1
73 . 1 1 25 25 ASN H H 1 8.875 0.067 . . . . . . 23 N H . 26803 1
74 . 1 1 25 25 ASN C C 13 174.208 0.000 . . . . . . 23 N CO . 26803 1
75 . 1 1 25 25 ASN CA C 13 53.881 0.022 . . . . . . 23 N CA . 26803 1
76 . 1 1 25 25 ASN CB C 13 35.976 0.022 . . . . . . 23 N CB . 26803 1
77 . 1 1 25 25 ASN N N 15 114.574 0.073 . . . . . . 23 N N . 26803 1
78 . 1 1 26 26 LEU H H 1 8.171 0.000 . . . . . . 24 L H . 26803 1
79 . 1 1 26 26 LEU C C 13 176.450 0.000 . . . . . . 24 L CO . 26803 1
80 . 1 1 26 26 LEU CA C 13 54.301 0.027 . . . . . . 24 L CA . 26803 1
81 . 1 1 26 26 LEU N N 15 119.260 0.049 . . . . . . 24 L N . 26803 1
82 . 1 1 28 28 GLN C C 13 175.581 0.007 . . . . . . 26 Q CO . 26803 1
83 . 1 1 28 28 GLN CA C 13 56.093 0.000 . . . . . . 26 Q CA . 26803 1
84 . 1 1 29 29 GLN H H 1 8.313 0.073 . . . . . . 27 Q H . 26803 1
85 . 1 1 29 29 GLN C C 13 175.099 0.000 . . . . . . 27 Q CO . 26803 1
86 . 1 1 29 29 GLN CA C 13 56.231 0.005 . . . . . . 27 Q CA . 26803 1
87 . 1 1 29 29 GLN CB C 13 26.969 0.026 . . . . . . 27 Q CB . 26803 1
88 . 1 1 29 29 GLN N N 15 113.849 0.137 . . . . . . 27 Q N . 26803 1
89 . 1 1 30 30 LEU H H 1 8.005 0.031 . . . . . . 28 L H . 26803 1
90 . 1 1 30 30 LEU C C 13 176.268 0.000 . . . . . . 28 L CO . 26803 1
91 . 1 1 30 30 LEU CA C 13 55.211 0.000 . . . . . . 28 L CA . 26803 1
92 . 1 1 30 30 LEU CB C 13 45.133 0.024 . . . . . . 28 L CB . 26803 1
93 . 1 1 30 30 LEU N N 15 118.911 0.079 . . . . . . 28 L N . 26803 1
94 . 1 1 31 31 PHE H H 1 9.268 0.138 . . . . . . 29 F H . 26803 1
95 . 1 1 31 31 PHE C C 13 175.992 0.000 . . . . . . 29 F CO . 26803 1
96 . 1 1 31 31 PHE CA C 13 59.192 0.000 . . . . . . 29 F CA . 26803 1
97 . 1 1 31 31 PHE CB C 13 43.697 0.005 . . . . . . 29 F CB . 26803 1
98 . 1 1 31 31 PHE N N 15 119.690 0.092 . . . . . . 29 F N . 26803 1
99 . 1 1 32 32 GLY H H 1 8.056 0.419 . . . . . . 30 G H . 26803 1
100 . 1 1 32 32 GLY C C 13 169.831 0.013 . . . . . . 30 G CO . 26803 1
101 . 1 1 32 32 GLY CA C 13 45.873 0.021 . . . . . . 30 G CA . 26803 1
102 . 1 1 32 32 GLY N N 15 105.234 0.166 . . . . . . 30 G N . 26803 1
103 . 1 1 33 33 TYR H H 1 8.811 0.099 . . . . . . 31 Y H . 26803 1
104 . 1 1 33 33 TYR C C 13 174.952 0.000 . . . . . . 31 Y CO . 26803 1
105 . 1 1 33 33 TYR CA C 13 53.619 0.009 . . . . . . 31 Y CA . 26803 1
106 . 1 1 33 33 TYR CB C 13 43.726 0.016 . . . . . . 31 Y CB . 26803 1
107 . 1 1 33 33 TYR N N 15 115.992 0.084 . . . . . . 31 Y N . 26803 1
108 . 1 1 34 34 SER H H 1 9.126 0.009 . . . . . . 32 S H . 26803 1
109 . 1 1 34 34 SER C C 13 172.221 0.002 . . . . . . 32 S CO . 26803 1
110 . 1 1 34 34 SER CA C 13 57.715 0.007 . . . . . . 32 S CA . 26803 1
111 . 1 1 34 34 SER N N 15 116.601 0.020 . . . . . . 32 S N . 26803 1
112 . 1 1 35 35 TRP H H 1 7.833 0.103 . . . . . . 33 W H . 26803 1
113 . 1 1 35 35 TRP C C 13 176.493 0.005 . . . . . . 33 W CO . 26803 1
114 . 1 1 35 35 TRP CA C 13 56.276 0.001 . . . . . . 33 W CA . 26803 1
115 . 1 1 35 35 TRP N N 15 119.255 0.133 . . . . . . 33 W N . 26803 1
116 . 1 1 36 36 TYR H H 1 10.314 0.044 . . . . . . 34 Y H . 26803 1
117 . 1 1 36 36 TYR C C 13 174.939 0.018 . . . . . . 34 Y CO . 26803 1
118 . 1 1 36 36 TYR CA C 13 57.619 0.005 . . . . . . 34 Y CA . 26803 1
119 . 1 1 36 36 TYR N N 15 120.978 0.019 . . . . . . 34 Y N . 26803 1
120 . 1 1 37 37 LYS H H 1 8.726 0.018 . . . . . . 35 K H . 26803 1
121 . 1 1 37 37 LYS C C 13 175.481 0.000 . . . . . . 35 K CO . 26803 1
122 . 1 1 37 37 LYS CA C 13 57.065 0.007 . . . . . . 35 K CA . 26803 1
123 . 1 1 37 37 LYS CB C 13 33.335 0.005 . . . . . . 35 K CB . 26803 1
124 . 1 1 37 37 LYS N N 15 123.125 0.028 . . . . . . 35 K N . 26803 1
125 . 1 1 38 38 GLY H H 1 8.280 0.520 . . . . . . 36 G H . 26803 1
126 . 1 1 38 38 GLY C C 13 173.707 0.020 . . . . . . 36 G CO . 26803 1
127 . 1 1 38 38 GLY CA C 13 44.825 0.018 . . . . . . 36 G CA . 26803 1
128 . 1 1 38 38 GLY N N 15 116.139 0.027 . . . . . . 36 G N . 26803 1
129 . 1 1 39 39 GLU H H 1 8.831 0.007 . . . . . . 37 E H . 26803 1
130 . 1 1 39 39 GLU C C 13 173.692 0.000 . . . . . . 37 E CO . 26803 1
131 . 1 1 39 39 GLU CA C 13 57.052 0.016 . . . . . . 37 E CA . 26803 1
132 . 1 1 39 39 GLU CB C 13 30.652 0.002 . . . . . . 37 E CB . 26803 1
133 . 1 1 39 39 GLU N N 15 116.192 0.081 . . . . . . 37 E N . 26803 1
134 . 1 1 40 40 ARG H H 1 7.434 0.033 . . . . . . 38 R H . 26803 1
135 . 1 1 40 40 ARG C C 13 175.206 0.000 . . . . . . 38 R CO . 26803 1
136 . 1 1 40 40 ARG CA C 13 53.432 0.009 . . . . . . 38 R CA . 26803 1
137 . 1 1 40 40 ARG CB C 13 33.939 0.008 . . . . . . 38 R CB . 26803 1
138 . 1 1 40 40 ARG N N 15 115.148 0.048 . . . . . . 38 R N . 26803 1
139 . 1 1 41 41 VAL H H 1 8.512 0.000 . . . . . . 39 V H . 26803 1
140 . 1 1 41 41 VAL C C 13 176.879 0.000 . . . . . . 39 V CO . 26803 1
141 . 1 1 41 41 VAL CA C 13 63.590 0.030 . . . . . . 39 V CA . 26803 1
142 . 1 1 41 41 VAL N N 15 123.097 0.181 . . . . . . 39 V N . 26803 1
143 . 1 1 47 47 ILE C C 13 177.595 0.048 . . . . . . 45 I CO . 26803 1
144 . 1 1 47 47 ILE CA C 13 64.125 0.000 . . . . . . 45 I CA . 26803 1
145 . 1 1 48 48 VAL H H 1 7.605 0.005 . . . . . . 46 V H . 26803 1
146 . 1 1 48 48 VAL C C 13 172.186 0.002 . . . . . . 46 V CO . 26803 1
147 . 1 1 48 48 VAL CA C 13 60.000 0.014 . . . . . . 46 V CA . 26803 1
148 . 1 1 48 48 VAL N N 15 117.847 0.064 . . . . . . 46 V N . 26803 1
149 . 1 1 49 49 GLY H H 1 9.053 0.357 . . . . . . 47 G H . 26803 1
150 . 1 1 49 49 GLY C C 13 171.378 0.036 . . . . . . 47 G CO . 26803 1
151 . 1 1 49 49 GLY CA C 13 45.768 0.004 . . . . . . 47 G CA . 26803 1
152 . 1 1 49 49 GLY N N 15 117.468 0.090 . . . . . . 47 G N . 26803 1
153 . 1 1 50 50 TYR H H 1 9.514 0.142 . . . . . . 48 Y H . 26803 1
154 . 1 1 50 50 TYR C C 13 172.431 0.000 . . . . . . 48 Y CO . 26803 1
155 . 1 1 50 50 TYR CA C 13 56.832 0.038 . . . . . . 48 Y CA . 26803 1
156 . 1 1 50 50 TYR CB C 13 45.606 0.005 . . . . . . 48 Y CB . 26803 1
157 . 1 1 50 50 TYR N N 15 126.688 0.064 . . . . . . 48 Y N . 26803 1
158 . 1 1 51 51 ALA H H 1 7.380 0.054 . . . . . . 49 A H . 26803 1
159 . 1 1 51 51 ALA C C 13 175.933 0.000 . . . . . . 49 A CO . 26803 1
160 . 1 1 51 51 ALA CA C 13 50.421 0.010 . . . . . . 49 A CA . 26803 1
161 . 1 1 51 51 ALA CB C 13 19.331 0.005 . . . . . . 49 A CB . 26803 1
162 . 1 1 51 51 ALA N N 15 130.821 0.145 . . . . . . 49 A N . 26803 1
163 . 1 1 52 52 ILE H H 1 7.119 0.151 . . . . . . 50 I H . 26803 1
164 . 1 1 52 52 ILE C C 13 179.059 0.000 . . . . . . 50 I CO . 26803 1
165 . 1 1 52 52 ILE CA C 13 64.179 0.014 . . . . . . 50 I CA . 26803 1
166 . 1 1 52 52 ILE CB C 13 38.444 0.008 . . . . . . 50 I CB . 26803 1
167 . 1 1 52 52 ILE N N 15 123.042 0.052 . . . . . . 50 I N . 26803 1
168 . 1 1 53 53 GLY H H 1 9.299 0.286 . . . . . . 51 G H . 26803 1
169 . 1 1 53 53 GLY C C 13 175.232 0.011 . . . . . . 51 G CO . 26803 1
170 . 1 1 53 53 GLY CA C 13 47.032 0.026 . . . . . . 51 G CA . 26803 1
171 . 1 1 53 53 GLY N N 15 107.603 0.215 . . . . . . 51 G N . 26803 1
172 . 1 1 54 54 THR H H 1 6.727 0.070 . . . . . . 52 T H . 26803 1
173 . 1 1 54 54 THR C C 13 174.733 0.000 . . . . . . 52 T CO . 26803 1
174 . 1 1 54 54 THR CA C 13 60.499 0.014 . . . . . . 52 T CA . 26803 1
175 . 1 1 54 54 THR CB C 13 69.409 0.002 . . . . . . 52 T CB . 26803 1
176 . 1 1 54 54 THR N N 15 105.838 0.144 . . . . . . 52 T N . 26803 1
177 . 1 1 55 55 GLN H H 1 7.545 0.130 . . . . . . 53 Q H . 26803 1
178 . 1 1 55 55 GLN C C 13 174.249 2.194 . . . . . . 53 Q CO . 26803 1
179 . 1 1 55 55 GLN CA C 13 56.896 0.010 . . . . . . 53 Q CA . 26803 1
180 . 1 1 55 55 GLN CB C 13 28.200 0.005 . . . . . . 53 Q CB . 26803 1
181 . 1 1 55 55 GLN N N 15 117.996 0.033 . . . . . . 53 Q N . 26803 1
182 . 1 1 56 56 GLN H H 1 6.921 0.065 . . . . . . 54 Q H . 26803 1
183 . 1 1 56 56 GLN C C 13 174.663 0.000 . . . . . . 54 Q CO . 26803 1
184 . 1 1 56 56 GLN CA C 13 54.955 0.018 . . . . . . 54 Q CA . 26803 1
185 . 1 1 56 56 GLN CB C 13 31.730 0.003 . . . . . . 54 Q CB . 26803 1
186 . 1 1 56 56 GLN N N 15 115.997 0.049 . . . . . . 54 Q N . 26803 1
187 . 1 1 57 57 ALA H H 1 9.063 0.108 . . . . . . 55 A H . 26803 1
188 . 1 1 57 57 ALA C C 13 176.878 0.000 . . . . . . 55 A CO . 26803 1
189 . 1 1 57 57 ALA CA C 13 50.646 0.009 . . . . . . 55 A CA . 26803 1
190 . 1 1 57 57 ALA CB C 13 20.388 0.032 . . . . . . 55 A CB . 26803 1
191 . 1 1 57 57 ALA N N 15 132.254 0.131 . . . . . . 55 A N . 26803 1
192 . 1 1 58 58 THR H H 1 9.454 0.000 . . . . . . 56 T H . 26803 1
193 . 1 1 58 58 THR C C 13 171.775 0.000 . . . . . . 56 T CO . 26803 1
194 . 1 1 58 58 THR CA C 13 60.205 0.015 . . . . . . 56 T CA . 26803 1
195 . 1 1 58 58 THR N N 15 122.706 0.067 . . . . . . 56 T N . 26803 1
196 . 1 1 59 59 PRO CA C 13 63.371 0.001 . . . . . . 57 P CA . 26803 1
197 . 1 1 59 59 PRO CB C 13 32.266 0.000 . . . . . . 57 P CB . 26803 1
198 . 1 1 60 60 GLY H H 1 8.204 0.000 . . . . . . 58 G H . 26803 1
199 . 1 1 60 60 GLY CA C 13 44.637 0.006 . . . . . . 58 G CA . 26803 1
200 . 1 1 60 60 GLY N N 15 109.389 0.177 . . . . . . 58 G N . 26803 1
201 . 1 1 61 61 PRO C C 13 177.251 0.027 . . . . . . 59 P CO . 26803 1
202 . 1 1 61 61 PRO CA C 13 64.947 0.000 . . . . . . 59 P CA . 26803 1
203 . 1 1 61 61 PRO CB C 13 32.676 0.000 . . . . . . 59 P CB . 26803 1
204 . 1 1 62 62 ALA H H 1 8.112 0.109 . . . . . . 60 A H . 26803 1
205 . 1 1 62 62 ALA C C 13 176.459 0.000 . . . . . . 60 A CO . 26803 1
206 . 1 1 62 62 ALA CA C 13 51.096 0.014 . . . . . . 60 A CA . 26803 1
207 . 1 1 62 62 ALA CB C 13 18.604 0.006 . . . . . . 60 A CB . 26803 1
208 . 1 1 62 62 ALA N N 15 116.146 0.090 . . . . . . 60 A N . 26803 1
209 . 1 1 63 63 ASN H H 1 7.719 0.000 . . . . . . 61 N H . 26803 1
210 . 1 1 63 63 ASN C C 13 175.119 0.000 . . . . . . 61 N CO . 26803 1
211 . 1 1 63 63 ASN CA C 13 56.119 0.005 . . . . . . 61 N CA . 26803 1
212 . 1 1 63 63 ASN N N 15 120.197 0.037 . . . . . . 61 N N . 26803 1
213 . 1 1 64 64 SER C C 13 175.553 0.003 . . . . . . 62 S CO . 26803 1
214 . 1 1 64 64 SER CA C 13 58.680 0.000 . . . . . . 62 S CA . 26803 1
215 . 1 1 64 64 SER CB C 13 66.453 0.000 . . . . . . 62 S CB . 26803 1
216 . 1 1 65 65 GLY H H 1 8.589 0.211 . . . . . . 63 G H . 26803 1
217 . 1 1 65 65 GLY C C 13 174.373 0.013 . . . . . . 63 G CO . 26803 1
218 . 1 1 65 65 GLY CA C 13 46.057 0.001 . . . . . . 63 G CA . 26803 1
219 . 1 1 65 65 GLY N N 15 113.180 0.083 . . . . . . 63 G N . 26803 1
220 . 1 1 66 66 ARG H H 1 7.172 0.003 . . . . . . 64 R H . 26803 1
221 . 1 1 66 66 ARG C C 13 175.844 0.025 . . . . . . 64 R CO . 26803 1
222 . 1 1 66 66 ARG CA C 13 55.954 0.004 . . . . . . 64 R CA . 26803 1
223 . 1 1 66 66 ARG N N 15 117.450 0.074 . . . . . . 64 R N . 26803 1
224 . 1 1 67 67 GLU H H 1 8.192 0.040 . . . . . . 65 E H . 26803 1
225 . 1 1 67 67 GLU C C 13 176.699 0.000 . . . . . . 65 E CO . 26803 1
226 . 1 1 67 67 GLU CA C 13 56.610 0.006 . . . . . . 65 E CA . 26803 1
227 . 1 1 67 67 GLU CB C 13 29.159 0.009 . . . . . . 65 E CB . 26803 1
228 . 1 1 67 67 GLU N N 15 120.765 0.048 . . . . . . 65 E N . 26803 1
229 . 1 1 68 68 THR H H 1 9.228 0.021 . . . . . . 66 T H . 26803 1
230 . 1 1 68 68 THR C C 13 171.277 0.000 . . . . . . 66 T CO . 26803 1
231 . 1 1 68 68 THR CA C 13 61.885 0.018 . . . . . . 66 T CA . 26803 1
232 . 1 1 68 68 THR CB C 13 72.078 0.006 . . . . . . 66 T CB . 26803 1
233 . 1 1 68 68 THR N N 15 122.022 0.015 . . . . . . 66 T N . 26803 1
234 . 1 1 69 69 ILE H H 1 8.287 0.024 . . . . . . 67 I H . 26803 1
235 . 1 1 69 69 ILE C C 13 172.342 0.000 . . . . . . 67 I CO . 26803 1
236 . 1 1 69 69 ILE CA C 13 57.198 0.004 . . . . . . 67 I CA . 26803 1
237 . 1 1 69 69 ILE CB C 13 38.988 0.021 . . . . . . 67 I CB . 26803 1
238 . 1 1 69 69 ILE N N 15 125.178 0.087 . . . . . . 67 I N . 26803 1
239 . 1 1 70 70 TYR H H 1 8.231 0.000 . . . . . . 68 Y H . 26803 1
240 . 1 1 70 70 TYR C C 13 175.495 0.000 . . . . . . 68 Y CO . 26803 1
241 . 1 1 70 70 TYR CA C 13 56.438 0.004 . . . . . . 68 Y CA . 26803 1
242 . 1 1 70 70 TYR N N 15 125.769 0.070 . . . . . . 68 Y N . 26803 1
243 . 1 1 71 71 PRO C C 13 176.276 0.057 . . . . . . 69 P CO . 26803 1
244 . 1 1 71 71 PRO CA C 13 65.205 0.000 . . . . . . 69 P CA . 26803 1
245 . 1 1 71 71 PRO CB C 13 31.667 0.000 . . . . . . 69 P CB . 26803 1
246 . 1 1 72 72 ASN H H 1 7.286 0.011 . . . . . . 70 N H . 26803 1
247 . 1 1 72 72 ASN C C 13 174.495 0.000 . . . . . . 70 N CO . 26803 1
248 . 1 1 72 72 ASN CA C 13 52.480 0.017 . . . . . . 70 N CA . 26803 1
249 . 1 1 72 72 ASN CB C 13 36.871 0.017 . . . . . . 70 N CB . 26803 1
250 . 1 1 72 72 ASN N N 15 116.392 0.111 . . . . . . 70 N N . 26803 1
251 . 1 1 73 73 ALA H H 1 7.998 0.041 . . . . . . 71 A H . 26803 1
252 . 1 1 73 73 ALA C C 13 174.585 0.000 . . . . . . 71 A CO . 26803 1
253 . 1 1 73 73 ALA CA C 13 55.969 0.024 . . . . . . 71 A CA . 26803 1
254 . 1 1 73 73 ALA CB C 13 16.202 0.009 . . . . . . 71 A CB . 26803 1
255 . 1 1 73 73 ALA N N 15 114.156 0.079 . . . . . . 71 A N . 26803 1
256 . 1 1 74 74 SER H H 1 7.496 0.018 . . . . . . 72 S H . 26803 1
257 . 1 1 74 74 SER C C 13 171.434 0.000 . . . . . . 72 S CO . 26803 1
258 . 1 1 74 74 SER CA C 13 59.776 0.008 . . . . . . 72 S CA . 26803 1
259 . 1 1 74 74 SER CB C 13 64.460 0.008 . . . . . . 72 S CB . 26803 1
260 . 1 1 74 74 SER N N 15 113.017 0.066 . . . . . . 72 S N . 26803 1
261 . 1 1 75 75 LEU H H 1 7.747 0.098 . . . . . . 73 L H . 26803 1
262 . 1 1 75 75 LEU C C 13 173.848 0.011 . . . . . . 73 L CO . 26803 1
263 . 1 1 75 75 LEU CA C 13 52.694 0.007 . . . . . . 73 L CA . 26803 1
264 . 1 1 75 75 LEU N N 15 121.967 0.090 . . . . . . 73 L N . 26803 1
265 . 1 1 76 76 LEU H H 1 9.007 0.114 . . . . . . 74 L H . 26803 1
266 . 1 1 76 76 LEU C C 13 175.918 0.000 . . . . . . 74 L CO . 26803 1
267 . 1 1 76 76 LEU CA C 13 53.108 0.003 . . . . . . 74 L CA . 26803 1
268 . 1 1 76 76 LEU CB C 13 45.763 0.024 . . . . . . 74 L CB . 26803 1
269 . 1 1 76 76 LEU N N 15 129.479 0.161 . . . . . . 74 L N . 26803 1
270 . 1 1 77 77 ILE H H 1 8.737 0.006 . . . . . . 75 I H . 26803 1
271 . 1 1 77 77 ILE C C 13 174.942 0.000 . . . . . . 75 I CO . 26803 1
272 . 1 1 77 77 ILE CA C 13 61.343 0.024 . . . . . . 75 I CA . 26803 1
273 . 1 1 77 77 ILE CB C 13 39.024 0.009 . . . . . . 75 I CB . 26803 1
274 . 1 1 77 77 ILE N N 15 126.118 0.112 . . . . . . 75 I N . 26803 1
275 . 1 1 78 78 GLN H H 1 7.811 0.078 . . . . . . 76 Q H . 26803 1
276 . 1 1 78 78 GLN C C 13 173.671 0.000 . . . . . . 76 Q CO . 26803 1
277 . 1 1 78 78 GLN CA C 13 54.730 0.012 . . . . . . 76 Q CA . 26803 1
278 . 1 1 78 78 GLN CB C 13 32.324 0.011 . . . . . . 76 Q CB . 26803 1
279 . 1 1 78 78 GLN N N 15 122.530 0.023 . . . . . . 76 Q N . 26803 1
280 . 1 1 79 79 ASN H H 1 8.169 0.097 . . . . . . 77 N H . 26803 1
281 . 1 1 79 79 ASN C C 13 175.565 0.000 . . . . . . 77 N CO . 26803 1
282 . 1 1 79 79 ASN CA C 13 53.317 0.017 . . . . . . 77 N CA . 26803 1
283 . 1 1 79 79 ASN CB C 13 37.255 0.015 . . . . . . 77 N CB . 26803 1
284 . 1 1 79 79 ASN N N 15 116.690 0.028 . . . . . . 77 N N . 26803 1
285 . 1 1 80 80 VAL H H 1 7.951 0.030 . . . . . . 78 V H . 26803 1
286 . 1 1 80 80 VAL C C 13 177.079 0.000 . . . . . . 78 V CO . 26803 1
287 . 1 1 80 80 VAL CA C 13 62.579 0.003 . . . . . . 78 V CA . 26803 1
288 . 1 1 80 80 VAL CB C 13 33.286 0.011 . . . . . . 78 V CB . 26803 1
289 . 1 1 80 80 VAL N N 15 111.547 0.096 . . . . . . 78 V N . 26803 1
290 . 1 1 81 81 THR H H 1 9.530 0.118 . . . . . . 79 T H . 26803 1
291 . 1 1 81 81 THR C C 13 176.082 0.000 . . . . . . 79 T CO . 26803 1
292 . 1 1 81 81 THR CA C 13 59.510 0.008 . . . . . . 79 T CA . 26803 1
293 . 1 1 81 81 THR N N 15 114.666 0.157 . . . . . . 79 T N . 26803 1
294 . 1 1 82 82 GLN H H 1 9.242 0.000 . . . . . . 80 Q H . 26803 1
295 . 1 1 82 82 GLN C C 13 177.675 0.000 . . . . . . 80 Q CO . 26803 1
296 . 1 1 82 82 GLN CA C 13 59.920 0.004 . . . . . . 80 Q CA . 26803 1
297 . 1 1 82 82 GLN N N 15 120.590 0.019 . . . . . . 80 Q N . 26803 1
298 . 1 1 84 84 ASP C C 13 175.609 0.002 . . . . . . 82 D CO . 26803 1
299 . 1 1 84 84 ASP CA C 13 55.489 0.000 . . . . . . 82 D CA . 26803 1
300 . 1 1 84 84 ASP CB C 13 41.490 0.000 . . . . . . 82 D CB . 26803 1
301 . 1 1 85 85 THR H H 1 7.083 0.056 . . . . . . 83 T H . 26803 1
302 . 1 1 85 85 THR C C 13 173.118 0.000 . . . . . . 83 T CO . 26803 1
303 . 1 1 85 85 THR CA C 13 64.249 0.004 . . . . . . 83 T CA . 26803 1
304 . 1 1 85 85 THR CB C 13 70.365 0.005 . . . . . . 83 T CB . 26803 1
305 . 1 1 85 85 THR N N 15 116.430 0.066 . . . . . . 83 T N . 26803 1
306 . 1 1 86 86 GLY H H 1 7.770 0.186 . . . . . . 84 G H . 26803 1
307 . 1 1 86 86 GLY C C 13 171.053 0.023 . . . . . . 84 G CO . 26803 1
308 . 1 1 86 86 GLY CA C 13 44.515 0.005 . . . . . . 84 G CA . 26803 1
309 . 1 1 86 86 GLY N N 15 113.916 0.076 . . . . . . 84 G N . 26803 1
310 . 1 1 87 87 PHE H H 1 7.886 0.029 . . . . . . 85 F H . 26803 1
311 . 1 1 87 87 PHE C C 13 176.012 0.000 . . . . . . 85 F CO . 26803 1
312 . 1 1 87 87 PHE CA C 13 57.685 0.014 . . . . . . 85 F CA . 26803 1
313 . 1 1 87 87 PHE CB C 13 41.895 0.015 . . . . . . 85 F CB . 26803 1
314 . 1 1 87 87 PHE N N 15 116.334 0.040 . . . . . . 85 F N . 26803 1
315 . 1 1 88 88 TYR H H 1 9.017 0.026 . . . . . . 86 Y H . 26803 1
316 . 1 1 88 88 TYR C C 13 175.023 0.000 . . . . . . 86 Y CO . 26803 1
317 . 1 1 88 88 TYR CA C 13 59.085 0.004 . . . . . . 86 Y CA . 26803 1
318 . 1 1 88 88 TYR CB C 13 43.640 0.007 . . . . . . 86 Y CB . 26803 1
319 . 1 1 88 88 TYR N N 15 120.636 0.018 . . . . . . 86 Y N . 26803 1
320 . 1 1 89 89 THR H H 1 9.237 0.070 . . . . . . 87 T H . 26803 1
321 . 1 1 89 89 THR C C 13 171.000 0.001 . . . . . . 87 T CO . 26803 1
322 . 1 1 89 89 THR CA C 13 63.231 0.007 . . . . . . 87 T CA . 26803 1
323 . 1 1 89 89 THR N N 15 119.311 0.049 . . . . . . 87 T N . 26803 1
324 . 1 1 90 90 LEU H H 1 9.148 0.098 . . . . . . 88 L H . 26803 1
325 . 1 1 90 90 LEU C C 13 174.487 0.000 . . . . . . 88 L CO . 26803 1
326 . 1 1 90 90 LEU CA C 13 52.682 0.040 . . . . . . 88 L CA . 26803 1
327 . 1 1 90 90 LEU CB C 13 42.685 0.005 . . . . . . 88 L CB . 26803 1
328 . 1 1 90 90 LEU N N 15 132.752 0.167 . . . . . . 88 L N . 26803 1
329 . 1 1 91 91 GLN H H 1 9.395 0.048 . . . . . . 89 Q H . 26803 1
330 . 1 1 91 91 GLN C C 13 174.531 0.000 . . . . . . 89 Q CO . 26803 1
331 . 1 1 91 91 GLN CA C 13 54.057 0.022 . . . . . . 89 Q CA . 26803 1
332 . 1 1 91 91 GLN CB C 13 29.772 0.011 . . . . . . 89 Q CB . 26803 1
333 . 1 1 91 91 GLN N N 15 124.846 0.065 . . . . . . 89 Q N . 26803 1
334 . 1 1 92 92 VAL H H 1 9.285 0.081 . . . . . . 90 V H . 26803 1
335 . 1 1 92 92 VAL C C 13 173.778 0.000 . . . . . . 90 V CO . 26803 1
336 . 1 1 92 92 VAL CA C 13 61.009 0.010 . . . . . . 90 V CA . 26803 1
337 . 1 1 92 92 VAL CB C 13 32.872 0.013 . . . . . . 90 V CB . 26803 1
338 . 1 1 92 92 VAL N N 15 123.570 0.106 . . . . . . 90 V N . 26803 1
339 . 1 1 93 93 ILE H H 1 8.661 0.019 . . . . . . 91 I H . 26803 1
340 . 1 1 93 93 ILE C C 13 176.533 0.003 . . . . . . 91 I CO . 26803 1
341 . 1 1 93 93 ILE CA C 13 58.669 0.013 . . . . . . 91 I CA . 26803 1
342 . 1 1 93 93 ILE N N 15 126.288 0.141 . . . . . . 91 I N . 26803 1
343 . 1 1 94 94 LYS H H 1 8.394 0.033 . . . . . . 92 K H . 26803 1
344 . 1 1 94 94 LYS C C 13 178.298 0.000 . . . . . . 92 K CO . 26803 1
345 . 1 1 94 94 LYS CA C 13 56.626 0.004 . . . . . . 92 K CA . 26803 1
346 . 1 1 94 94 LYS CB C 13 33.905 0.017 . . . . . . 92 K CB . 26803 1
347 . 1 1 94 94 LYS N N 15 128.364 0.122 . . . . . . 92 K N . 26803 1
348 . 1 1 95 95 SER H H 1 8.678 0.023 . . . . . . 93 S H . 26803 1
349 . 1 1 95 95 SER C C 13 173.023 0.000 . . . . . . 93 S CO . 26803 1
350 . 1 1 95 95 SER CA C 13 61.622 0.000 . . . . . . 93 S CA . 26803 1
351 . 1 1 95 95 SER CB C 13 62.935 0.010 . . . . . . 93 S CB . 26803 1
352 . 1 1 95 95 SER N N 15 115.133 0.048 . . . . . . 93 S N . 26803 1
353 . 1 1 96 96 ASP H H 1 7.537 0.000 . . . . . . 94 D H . 26803 1
354 . 1 1 96 96 ASP C C 13 176.907 0.000 . . . . . . 94 D CO . 26803 1
355 . 1 1 96 96 ASP CA C 13 52.718 0.002 . . . . . . 94 D CA . 26803 1
356 . 1 1 96 96 ASP N N 15 116.216 0.047 . . . . . . 94 D N . 26803 1
357 . 1 1 101 101 GLU H H 1 8.255 0.078 . . . . . . 99 E H . 26803 1
358 . 1 1 101 101 GLU C C 13 175.936 0.018 . . . . . . 99 E CO . 26803 1
359 . 1 1 101 101 GLU CA C 13 55.608 0.010 . . . . . . 99 E CA . 26803 1
360 . 1 1 101 101 GLU N N 15 125.523 0.167 . . . . . . 99 E N . 26803 1
361 . 1 1 102 102 ALA H H 1 9.052 0.077 . . . . . . 100 A H . 26803 1
362 . 1 1 102 102 ALA C C 13 174.997 0.048 . . . . . . 100 A CO . 26803 1
363 . 1 1 102 102 ALA CA C 13 52.067 0.003 . . . . . . 100 A CA . 26803 1
364 . 1 1 102 102 ALA CB C 13 23.253 0.011 . . . . . . 100 A CB . 26803 1
365 . 1 1 102 102 ALA N N 15 122.159 0.028 . . . . . . 100 A N . 26803 1
366 . 1 1 103 103 THR H H 1 8.707 0.018 . . . . . . 101 T H . 26803 1
367 . 1 1 103 103 THR C C 13 174.614 0.000 . . . . . . 101 T CO . 26803 1
368 . 1 1 103 103 THR CA C 13 62.225 0.016 . . . . . . 101 T CA . 26803 1
369 . 1 1 103 103 THR CB C 13 72.011 0.027 . . . . . . 101 T CB . 26803 1
370 . 1 1 103 103 THR N N 15 117.024 0.036 . . . . . . 101 T N . 26803 1
371 . 1 1 104 104 GLY H H 1 9.702 0.149 . . . . . . 102 G H . 26803 1
372 . 1 1 104 104 GLY C C 13 171.774 0.018 . . . . . . 102 G CO . 26803 1
373 . 1 1 104 104 GLY CA C 13 44.525 0.010 . . . . . . 102 G CA . 26803 1
374 . 1 1 104 104 GLY N N 15 115.653 0.038 . . . . . . 102 G N . 26803 1
375 . 1 1 105 105 GLN H H 1 8.238 0.070 . . . . . . 103 Q H . 26803 1
376 . 1 1 105 105 GLN C C 13 174.459 0.000 . . . . . . 103 Q CO . 26803 1
377 . 1 1 105 105 GLN CA C 13 54.704 0.004 . . . . . . 103 Q CA . 26803 1
378 . 1 1 105 105 GLN CB C 13 32.783 0.008 . . . . . . 103 Q CB . 26803 1
379 . 1 1 105 105 GLN N N 15 114.751 0.071 . . . . . . 103 Q N . 26803 1
380 . 1 1 106 106 PHE H H 1 7.671 0.033 . . . . . . 104 F H . 26803 1
381 . 1 1 106 106 PHE C C 13 172.466 0.000 . . . . . . 104 F CO . 26803 1
382 . 1 1 106 106 PHE CA C 13 57.250 0.004 . . . . . . 104 F CA . 26803 1
383 . 1 1 106 106 PHE CB C 13 40.654 0.005 . . . . . . 104 F CB . 26803 1
384 . 1 1 106 106 PHE N N 15 115.349 0.054 . . . . . . 104 F N . 26803 1
385 . 1 1 107 107 HIS H H 1 8.920 0.225 . . . . . . 105 H H . 26803 1
386 . 1 1 107 107 HIS C C 13 173.319 0.000 . . . . . . 105 H CO . 26803 1
387 . 1 1 107 107 HIS CA C 13 55.665 0.019 . . . . . . 105 H CA . 26803 1
388 . 1 1 107 107 HIS CB C 13 31.190 0.010 . . . . . . 105 H CB . 26803 1
389 . 1 1 107 107 HIS N N 15 120.471 0.015 . . . . . . 105 H N . 26803 1
390 . 1 1 108 108 VAL H H 1 8.003 0.014 . . . . . . 106 V H . 26803 1
391 . 1 1 108 108 VAL C C 13 175.310 0.000 . . . . . . 106 V CO . 26803 1
392 . 1 1 108 108 VAL CA C 13 60.183 0.048 . . . . . . 106 V CA . 26803 1
393 . 1 1 108 108 VAL CB C 13 33.174 0.016 . . . . . . 106 V CB . 26803 1
394 . 1 1 108 108 VAL N N 15 126.234 0.080 . . . . . . 106 V N . 26803 1
395 . 1 1 109 109 TYR H H 1 8.458 0.089 . . . . . . 107 Y H . 26803 1
396 . 1 1 109 109 TYR C C 13 173.570 0.000 . . . . . . 107 Y CO . 26803 1
397 . 1 1 109 109 TYR CA C 13 54.747 0.009 . . . . . . 107 Y CA . 26803 1
398 . 1 1 109 109 TYR CB C 13 40.977 0.004 . . . . . . 107 Y CB . 26803 1
399 . 1 1 109 109 TYR N N 15 124.931 0.054 . . . . . . 107 Y N . 26803 1
400 . 1 1 110 110 ALA H H 1 8.478 0.068 . . . . . . 108 A H . 26803 1
401 . 1 1 110 110 ALA C C 13 177.419 0.000 . . . . . . 108 A CO . 26803 1
402 . 1 1 110 110 ALA CA C 13 52.006 0.012 . . . . . . 108 A CA . 26803 1
403 . 1 1 110 110 ALA CB C 13 19.488 0.021 . . . . . . 108 A CB . 26803 1
404 . 1 1 110 110 ALA N N 15 123.550 0.033 . . . . . . 108 A N . 26803 1
405 . 1 1 111 111 ALA H H 1 8.590 0.090 . . . . . . 109 A H . 26803 1
406 . 1 1 111 111 ALA C C 13 177.706 0.000 . . . . . . 109 A CO . 26803 1
407 . 1 1 111 111 ALA CA C 13 53.124 0.012 . . . . . . 109 A CA . 26803 1
408 . 1 1 111 111 ALA CB C 13 19.403 0.018 . . . . . . 109 A CB . 26803 1
409 . 1 1 111 111 ALA N N 15 125.045 0.054 . . . . . . 109 A N . 26803 1
410 . 1 1 112 112 ALA H H 1 8.295 0.000 . . . . . . 110 A H . 26803 1
411 . 1 1 112 112 ALA C C 13 177.035 0.000 . . . . . . 110 A CO . 26803 1
412 . 1 1 112 112 ALA CA C 13 52.725 0.027 . . . . . . 110 A CA . 26803 1
413 . 1 1 112 112 ALA N N 15 122.240 0.023 . . . . . . 110 A N . 26803 1
stop_
save_