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 27216
_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 $chemical_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' . . . 27216 1
2 '3D HNCACB' . . . 27216 1
3 '3D CBCA(CO)NH' . . . 27216 1
4 '3D HN(CO)CA' . . . 27216 1
5 '3D HNCO' . . . 27216 1
6 '3D HN(CA)NNH' . . . 27216 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 . . 27216 1
2 $Ccpnmr_Analysis . . 27216 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 3 3 MET CA C 13 55.619 0.000 . 1 . . . . . 1 Met CA . 27216 1
2 . 1 1 3 3 MET CB C 13 32.604 0.000 . 1 . . . . . 1 Met CB . 27216 1
3 . 1 1 3 3 MET H H 1 8.720 0.009 . 1 . . . . . 1 Met H . 27216 1
4 . 1 1 3 3 MET N N 15 120.539 0.047 . 1 . . . . . 1 Met N . 27216 1
5 . 1 1 4 4 SER CA C 13 58.604 0.000 . 1 . . . . . 2 Ser CA . 27216 1
6 . 1 1 4 4 SER CB C 13 63.811 0.000 . 1 . . . . . 2 Ser CB . 27216 1
7 . 1 1 4 4 SER H H 1 8.368 0.009 . 1 . . . . . 2 Ser H . 27216 1
8 . 1 1 4 4 SER N N 15 117.038 0.051 . 1 . . . . . 2 Ser N . 27216 1
9 . 1 1 5 5 ASP CA C 13 54.486 0.023 . 1 . . . . . 3 Asp CA . 27216 1
10 . 1 1 5 5 ASP CB C 13 41.085 0.017 . 1 . . . . . 3 Asp CB . 27216 1
11 . 1 1 5 5 ASP H H 1 8.442 0.008 . 1 . . . . . 3 Asp H . 27216 1
12 . 1 1 5 5 ASP N N 15 122.872 0.062 . 1 . . . . . 3 Asp N . 27216 1
13 . 1 1 6 6 ALA CA C 13 52.627 0.001 . 1 . . . . . 4 Ala CA . 27216 1
14 . 1 1 6 6 ALA CB C 13 19.338 0.015 . 1 . . . . . 4 Ala CB . 27216 1
15 . 1 1 6 6 ALA H H 1 8.188 0.006 . 1 . . . . . 4 Ala H . 27216 1
16 . 1 1 6 6 ALA N N 15 124.164 0.048 . 1 . . . . . 4 Ala N . 27216 1
17 . 1 1 7 7 ALA CA C 13 52.517 0.028 . 1 . . . . . 5 Ala CA . 27216 1
18 . 1 1 7 7 ALA CB C 13 19.221 0.020 . 1 . . . . . 5 Ala CB . 27216 1
19 . 1 1 7 7 ALA H H 1 8.318 0.007 . 1 . . . . . 5 Ala H . 27216 1
20 . 1 1 7 7 ALA N N 15 123.538 0.047 . 1 . . . . . 5 Ala N . 27216 1
21 . 1 1 8 8 VAL CA C 13 62.270 0.028 . 1 . . . . . 6 Val CA . 27216 1
22 . 1 1 8 8 VAL CB C 13 33.025 0.021 . 1 . . . . . 6 Val CB . 27216 1
23 . 1 1 8 8 VAL H H 1 8.132 0.007 . 1 . . . . . 6 Val H . 27216 1
24 . 1 1 8 8 VAL N N 15 119.553 0.048 . 1 . . . . . 6 Val N . 27216 1
25 . 1 1 9 9 ASP CA C 13 54.106 0.026 . 1 . . . . . 7 Asp CA . 27216 1
26 . 1 1 9 9 ASP CB C 13 41.314 0.081 . 1 . . . . . 7 Asp CB . 27216 1
27 . 1 1 9 9 ASP H H 1 8.550 0.008 . 1 . . . . . 7 Asp H . 27216 1
28 . 1 1 9 9 ASP N N 15 124.566 0.054 . 1 . . . . . 7 Asp N . 27216 1
29 . 1 1 10 10 THR CA C 13 62.029 0.082 . 1 . . . . . 8 Thr CA . 27216 1
30 . 1 1 10 10 THR CB C 13 69.417 0.016 . 1 . . . . . 8 Thr CB . 27216 1
31 . 1 1 10 10 THR H H 1 8.374 0.008 . 1 . . . . . 8 Thr H . 27216 1
32 . 1 1 10 10 THR N N 15 115.803 0.048 . 1 . . . . . 8 Thr N . 27216 1
33 . 1 1 11 11 SER CA C 13 59.227 0.023 . 1 . . . . . 9 Ser CA . 27216 1
34 . 1 1 11 11 SER CB C 13 63.803 0.014 . 1 . . . . . 9 Ser CB . 27216 1
35 . 1 1 11 11 SER H H 1 8.517 0.007 . 1 . . . . . 9 Ser H . 27216 1
36 . 1 1 11 11 SER N N 15 118.625 0.048 . 1 . . . . . 9 Ser N . 27216 1
37 . 1 1 12 12 SER CA C 13 58.683 0.000 . 1 . . . . . 10 Ser CA . 27216 1
38 . 1 1 12 12 SER CB C 13 63.802 0.028 . 1 . . . . . 10 Ser CB . 27216 1
39 . 1 1 12 12 SER H H 1 8.383 0.008 . 1 . . . . . 10 Ser H . 27216 1
40 . 1 1 12 12 SER N N 15 117.889 0.067 . 1 . . . . . 10 Ser N . 27216 1
41 . 1 1 13 13 GLU CA C 13 56.726 0.047 . 1 . . . . . 11 Glu CA . 27216 1
42 . 1 1 13 13 GLU CB C 13 30.296 0.014 . 1 . . . . . 11 Glu CB . 27216 1
43 . 1 1 13 13 GLU H H 1 8.387 0.010 . 1 . . . . . 11 Glu H . 27216 1
44 . 1 1 13 13 GLU N N 15 122.841 0.052 . 1 . . . . . 11 Glu N . 27216 1
45 . 1 1 14 14 ILE CA C 13 61.381 0.036 . 1 . . . . . 12 Ile CA . 27216 1
46 . 1 1 14 14 ILE CB C 13 38.492 0.046 . 1 . . . . . 12 Ile CB . 27216 1
47 . 1 1 14 14 ILE H H 1 8.286 0.007 . 1 . . . . . 12 Ile H . 27216 1
48 . 1 1 14 14 ILE N N 15 122.364 0.049 . 1 . . . . . 12 Ile N . 27216 1
49 . 1 1 15 15 THR CA C 13 62.001 0.091 . 1 . . . . . 13 Thr CA . 27216 1
50 . 1 1 15 15 THR CB C 13 69.936 0.025 . 1 . . . . . 13 Thr CB . 27216 1
51 . 1 1 15 15 THR H H 1 8.382 0.008 . 1 . . . . . 13 Thr H . 27216 1
52 . 1 1 15 15 THR N N 15 118.646 0.042 . 1 . . . . . 13 Thr N . 27216 1
53 . 1 1 16 16 THR CA C 13 62.250 0.015 . 1 . . . . . 14 Thr CA . 27216 1
54 . 1 1 16 16 THR CB C 13 69.703 0.054 . 1 . . . . . 14 Thr CB . 27216 1
55 . 1 1 16 16 THR H H 1 8.234 0.008 . 1 . . . . . 14 Thr H . 27216 1
56 . 1 1 16 16 THR N N 15 116.813 0.048 . 1 . . . . . 14 Thr N . 27216 1
57 . 1 1 17 17 LYS CA C 13 56.792 0.008 . 1 . . . . . 15 Lys CA . 27216 1
58 . 1 1 17 17 LYS CB C 13 33.055 0.014 . 1 . . . . . 15 Lys CB . 27216 1
59 . 1 1 17 17 LYS H H 1 8.355 0.008 . 1 . . . . . 15 Lys H . 27216 1
60 . 1 1 17 17 LYS N N 15 123.782 0.058 . 1 . . . . . 15 Lys N . 27216 1
61 . 1 1 18 18 ASP CA C 13 54.598 0.026 . 1 . . . . . 16 Asp CA . 27216 1
62 . 1 1 18 18 ASP CB C 13 41.169 0.051 . 1 . . . . . 16 Asp CB . 27216 1
63 . 1 1 18 18 ASP H H 1 8.395 0.007 . 1 . . . . . 16 Asp H . 27216 1
64 . 1 1 18 18 ASP N N 15 121.444 0.052 . 1 . . . . . 16 Asp N . 27216 1
65 . 1 1 19 19 LEU CA C 13 55.487 0.025 . 1 . . . . . 17 Leu CA . 27216 1
66 . 1 1 19 19 LEU CB C 13 42.127 0.043 . 1 . . . . . 17 Leu CB . 27216 1
67 . 1 1 19 19 LEU H H 1 8.254 0.007 . 1 . . . . . 17 Leu H . 27216 1
68 . 1 1 19 19 LEU N N 15 123.158 0.048 . 1 . . . . . 17 Leu N . 27216 1
69 . 1 1 20 20 LYS CA C 13 56.565 0.000 . 1 . . . . . 18 Lys CA . 27216 1
70 . 1 1 20 20 LYS CB C 13 32.763 0.001 . 1 . . . . . 18 Lys CB . 27216 1
71 . 1 1 20 20 LYS H H 1 8.348 0.009 . 1 . . . . . 18 Lys H . 27216 1
72 . 1 1 20 20 LYS N N 15 121.753 0.059 . 1 . . . . . 18 Lys N . 27216 1
73 . 1 1 21 21 GLU CA C 13 56.588 0.092 . 1 . . . . . 19 Glu CA . 27216 1
74 . 1 1 21 21 GLU CB C 13 30.441 0.020 . 1 . . . . . 19 Glu CB . 27216 1
75 . 1 1 21 21 GLU H H 1 8.360 0.009 . 1 . . . . . 19 Glu H . 27216 1
76 . 1 1 21 21 GLU N N 15 121.785 0.061 . 1 . . . . . 19 Glu N . 27216 1
77 . 1 1 22 22 LYS CA C 13 56.295 0.053 . 1 . . . . . 20 Lys CA . 27216 1
78 . 1 1 22 22 LYS CB C 13 33.056 0.084 . 1 . . . . . 20 Lys CB . 27216 1
79 . 1 1 22 22 LYS H H 1 8.420 0.008 . 1 . . . . . 20 Lys H . 27216 1
80 . 1 1 22 22 LYS N N 15 123.438 0.051 . 1 . . . . . 20 Lys N . 27216 1
81 . 1 1 23 23 LYS H H 1 8.451 0.007 . 1 . . . . . 21 Lys H . 27216 1
82 . 1 1 23 23 LYS N N 15 123.958 0.050 . 1 . . . . . 21 Lys N . 27216 1
83 . 1 1 24 24 GLU CA C 13 56.533 0.000 . 1 . . . . . 22 Glu CA . 27216 1
84 . 1 1 24 24 GLU CB C 13 30.458 0.000 . 1 . . . . . 22 Glu CB . 27216 1
85 . 1 1 24 24 GLU N N 15 123.160 0.005 . 1 . . . . . 22 Glu N . 27216 1
86 . 1 1 25 25 VAL CA C 13 62.393 0.033 . 1 . . . . . 23 Val CA . 27216 1
87 . 1 1 25 25 VAL CB C 13 32.927 0.071 . 1 . . . . . 23 Val CB . 27216 1
88 . 1 1 25 25 VAL H H 1 8.370 0.008 . 1 . . . . . 23 Val H . 27216 1
89 . 1 1 25 25 VAL N N 15 122.858 0.053 . 1 . . . . . 23 Val N . 27216 1
90 . 1 1 26 26 VAL CA C 13 62.279 0.033 . 1 . . . . . 24 Val CA . 27216 1
91 . 1 1 26 26 VAL CB C 13 32.877 0.025 . 1 . . . . . 24 Val CB . 27216 1
92 . 1 1 26 26 VAL H H 1 8.409 0.006 . 1 . . . . . 24 Val H . 27216 1
93 . 1 1 26 26 VAL N N 15 125.760 0.038 . 1 . . . . . 24 Val N . 27216 1
94 . 1 1 27 27 GLU CA C 13 56.551 0.000 . 1 . . . . . 25 Glu CA . 27216 1
95 . 1 1 27 27 GLU CB C 13 30.543 0.013 . 1 . . . . . 25 Glu CB . 27216 1
96 . 1 1 27 27 GLU H H 1 8.637 0.008 . 1 . . . . . 25 Glu H . 27216 1
97 . 1 1 27 27 GLU N N 15 125.852 0.033 . 1 . . . . . 25 Glu N . 27216 1
98 . 1 1 28 28 GLU CA C 13 56.569 0.041 . 1 . . . . . 26 Glu CA . 27216 1
99 . 1 1 28 28 GLU CB C 13 30.519 0.008 . 1 . . . . . 26 Glu CB . 27216 1
100 . 1 1 28 28 GLU H H 1 8.579 0.008 . 1 . . . . . 26 Glu H . 27216 1
101 . 1 1 28 28 GLU N N 15 123.102 0.059 . 1 . . . . . 26 Glu N . 27216 1
102 . 1 1 29 29 ALA CA C 13 52.524 0.006 . 1 . . . . . 27 Ala CA . 27216 1
103 . 1 1 29 29 ALA CB C 13 19.628 0.077 . 1 . . . . . 27 Ala CB . 27216 1
104 . 1 1 29 29 ALA H H 1 8.482 0.006 . 1 . . . . . 27 Ala H . 27216 1
105 . 1 1 29 29 ALA N N 15 125.662 0.122 . 1 . . . . . 27 Ala N . 27216 1
106 . 1 1 30 30 GLU CA C 13 56.748 0.000 . 1 . . . . . 28 Glu CA . 27216 1
107 . 1 1 30 30 GLU CB C 13 30.200 0.000 . 1 . . . . . 28 Glu CB . 27216 1
108 . 1 1 30 30 GLU H H 1 8.538 0.007 . 1 . . . . . 28 Glu H . 27216 1
109 . 1 1 30 30 GLU N N 15 120.559 0.114 . 1 . . . . . 28 Glu N . 27216 1
110 . 1 1 31 31 ASN CB C 13 39.063 0.058 . 1 . . . . . 29 Asn CB . 27216 1
111 . 1 1 31 31 ASN H H 1 8.532 0.008 . 1 . . . . . 29 Asn H . 27216 1
112 . 1 1 31 31 ASN N N 15 119.710 0.043 . 1 . . . . . 29 Asn N . 27216 1
113 . 1 1 32 32 GLY CA C 13 45.621 0.000 . 1 . . . . . 30 Gly CA . 27216 1
114 . 1 1 32 32 GLY H H 1 8.518 0.009 . 1 . . . . . 30 Gly H . 27216 1
115 . 1 1 32 32 GLY N N 15 109.586 0.040 . 1 . . . . . 30 Gly N . 27216 1
116 . 1 1 33 33 ARG H H 1 8.195 0.008 . 1 . . . . . 31 Arg H . 27216 1
117 . 1 1 33 33 ARG N N 15 120.460 0.033 . 1 . . . . . 31 Arg N . 27216 1
118 . 1 1 34 34 ASP CA C 13 54.223 0.023 . 1 . . . . . 32 Asp CA . 27216 1
119 . 1 1 34 34 ASP CB C 13 41.153 0.000 . 1 . . . . . 32 Asp CB . 27216 1
120 . 1 1 34 34 ASP H H 1 8.475 0.008 . 1 . . . . . 32 Asp H . 27216 1
121 . 1 1 34 34 ASP N N 15 121.169 0.033 . 1 . . . . . 32 Asp N . 27216 1
122 . 1 1 35 35 ALA CA C 13 50.614 0.000 . 1 . . . . . 33 Ala CA . 27216 1
123 . 1 1 35 35 ALA CB C 13 18.234 0.000 . 1 . . . . . 33 Ala CB . 27216 1
124 . 1 1 35 35 ALA H H 1 8.218 0.003 . 1 . . . . . 33 Ala H . 27216 1
125 . 1 1 35 35 ALA N N 15 125.472 0.039 . 1 . . . . . 33 Ala N . 27216 1
126 . 1 1 36 36 PRO CA C 13 62.912 0.000 . 1 . . . . . 34 Pro CA . 27216 1
127 . 1 1 36 36 PRO CB C 13 32.218 0.000 . 1 . . . . . 34 Pro CB . 27216 1
128 . 1 1 37 37 ALA CA C 13 52.662 0.000 . 1 . . . . . 35 Ala CA . 27216 1
129 . 1 1 37 37 ALA CB C 13 19.206 0.000 . 1 . . . . . 35 Ala CB . 27216 1
130 . 1 1 37 37 ALA H H 1 8.597 0.008 . 1 . . . . . 35 Ala H . 27216 1
131 . 1 1 37 37 ALA N N 15 124.919 0.048 . 1 . . . . . 35 Ala N . 27216 1
132 . 1 1 38 38 ASN CB C 13 39.036 0.000 . 1 . . . . . 36 Asn CB . 27216 1
133 . 1 1 38 38 ASN H H 1 8.520 0.007 . 1 . . . . . 36 Asn H . 27216 1
134 . 1 1 38 38 ASN N N 15 117.884 0.051 . 1 . . . . . 36 Asn N . 27216 1
135 . 1 1 39 39 GLY CA C 13 45.500 0.000 . 1 . . . . . 37 Gly CA . 27216 1
136 . 1 1 39 39 GLY H H 1 8.427 0.008 . 1 . . . . . 37 Gly H . 27216 1
137 . 1 1 39 39 GLY N N 15 109.462 0.061 . 1 . . . . . 37 Gly N . 27216 1
138 . 1 1 40 40 ASN CA C 13 53.176 0.000 . 1 . . . . . 38 Asn CA . 27216 1
139 . 1 1 40 40 ASN CB C 13 39.154 0.000 . 1 . . . . . 38 Asn CB . 27216 1
140 . 1 1 40 40 ASN H H 1 8.411 0.009 . 1 . . . . . 38 Asn H . 27216 1
141 . 1 1 40 40 ASN N N 15 118.849 0.059 . 1 . . . . . 38 Asn N . 27216 1
142 . 1 1 41 41 ALA CA C 13 52.907 0.000 . 1 . . . . . 39 Ala CA . 27216 1
143 . 1 1 41 41 ALA CB C 13 19.174 0.030 . 1 . . . . . 39 Ala CB . 27216 1
144 . 1 1 41 41 ALA H H 1 8.452 0.008 . 1 . . . . . 39 Ala H . 27216 1
145 . 1 1 41 41 ALA N N 15 124.742 0.046 . 1 . . . . . 39 Ala N . 27216 1
146 . 1 1 42 42 ASN CA C 13 53.263 0.006 . 1 . . . . . 40 Asn CA . 27216 1
147 . 1 1 42 42 ASN CB C 13 38.971 0.000 . 1 . . . . . 40 Asn CB . 27216 1
148 . 1 1 42 42 ASN H H 1 8.505 0.009 . 1 . . . . . 40 Asn H . 27216 1
149 . 1 1 42 42 ASN N N 15 117.689 0.043 . 1 . . . . . 40 Asn N . 27216 1
150 . 1 1 43 43 GLU CA C 13 56.782 0.000 . 1 . . . . . 41 Glu CA . 27216 1
151 . 1 1 43 43 GLU CB C 13 30.427 0.000 . 1 . . . . . 41 Glu CB . 27216 1
152 . 1 1 43 43 GLU H H 1 8.487 0.008 . 1 . . . . . 41 Glu H . 27216 1
153 . 1 1 43 43 GLU N N 15 121.572 0.143 . 1 . . . . . 41 Glu N . 27216 1
154 . 1 1 44 44 GLU CA C 13 56.694 0.000 . 1 . . . . . 42 Glu CA . 27216 1
155 . 1 1 44 44 GLU CB C 13 30.237 0.000 . 1 . . . . . 42 Glu CB . 27216 1
156 . 1 1 44 44 GLU H H 1 8.518 0.007 . 1 . . . . . 42 Glu H . 27216 1
157 . 1 1 44 44 GLU N N 15 121.856 0.046 . 1 . . . . . 42 Glu N . 27216 1
158 . 1 1 45 45 ASN CA C 13 53.292 0.018 . 1 . . . . . 43 Asn CA . 27216 1
159 . 1 1 45 45 ASN CB C 13 39.163 0.007 . 1 . . . . . 43 Asn CB . 27216 1
160 . 1 1 45 45 ASN H H 1 8.571 0.007 . 1 . . . . . 43 Asn H . 27216 1
161 . 1 1 45 45 ASN N N 15 119.835 0.056 . 1 . . . . . 43 Asn N . 27216 1
162 . 1 1 46 46 GLY CA C 13 45.543 0.000 . 1 . . . . . 44 Gly CA . 27216 1
163 . 1 1 46 46 GLY H H 1 8.471 0.007 . 1 . . . . . 44 Gly H . 27216 1
164 . 1 1 46 46 GLY N N 15 109.561 0.049 . 1 . . . . . 44 Gly N . 27216 1
165 . 1 1 47 47 GLU CA C 13 56.513 0.019 . 1 . . . . . 45 Glu CA . 27216 1
166 . 1 1 47 47 GLU CB C 13 30.476 0.000 . 1 . . . . . 45 Glu CB . 27216 1
167 . 1 1 47 47 GLU H H 1 8.408 0.007 . 1 . . . . . 45 Glu H . 27216 1
168 . 1 1 47 47 GLU N N 15 120.631 0.026 . 1 . . . . . 45 Glu N . 27216 1
169 . 1 1 48 48 GLN CA C 13 55.715 0.000 . 1 . . . . . 46 Gln CA . 27216 1
170 . 1 1 48 48 GLN H H 1 8.552 0.009 . 1 . . . . . 46 Gln H . 27216 1
171 . 1 1 48 48 GLN N N 15 121.594 0.048 . 1 . . . . . 46 Gln N . 27216 1
172 . 1 1 49 49 GLU N N 15 123.154 0.000 . 1 . . . . . 47 Glu N . 27216 1
173 . 1 1 50 50 ALA CA C 13 52.569 0.000 . 1 . . . . . 48 Ala CA . 27216 1
174 . 1 1 50 50 ALA CB C 13 19.580 0.000 . 1 . . . . . 48 Ala CB . 27216 1
175 . 1 1 50 50 ALA H H 1 8.489 0.009 . 1 . . . . . 48 Ala H . 27216 1
176 . 1 1 50 50 ALA N N 15 125.836 0.110 . 1 . . . . . 48 Ala N . 27216 1
177 . 1 1 51 51 ASP CA C 13 54.357 0.000 . 1 . . . . . 49 Asp CA . 27216 1
178 . 1 1 51 51 ASP CB C 13 41.148 0.000 . 1 . . . . . 49 Asp CB . 27216 1
179 . 1 1 51 51 ASP H H 1 8.450 0.007 . 1 . . . . . 49 Asp H . 27216 1
180 . 1 1 51 51 ASP N N 15 120.148 0.053 . 1 . . . . . 49 Asp N . 27216 1
181 . 1 1 52 52 ASN CA C 13 53.252 0.000 . 1 . . . . . 50 Asn CA . 27216 1
182 . 1 1 52 52 ASN CB C 13 39.325 0.052 . 1 . . . . . 50 Asn CB . 27216 1
183 . 1 1 52 52 ASN H H 1 8.423 0.008 . 1 . . . . . 50 Asn H . 27216 1
184 . 1 1 52 52 ASN N N 15 119.335 0.048 . 1 . . . . . 50 Asn N . 27216 1
185 . 1 1 53 53 GLU CA C 13 56.608 0.000 . 1 . . . . . 51 Glu CA . 27216 1
186 . 1 1 53 53 GLU CB C 13 30.351 0.000 . 1 . . . . . 51 Glu CB . 27216 1
187 . 1 1 53 53 GLU H H 1 8.484 0.006 . 1 . . . . . 51 Glu H . 27216 1
188 . 1 1 53 53 GLU N N 15 121.764 0.046 . 1 . . . . . 51 Glu N . 27216 1
189 . 1 1 54 54 VAL CA C 13 62.096 0.000 . 1 . . . . . 52 Val CA . 27216 1
190 . 1 1 54 54 VAL CB C 13 33.280 0.000 . 1 . . . . . 52 Val CB . 27216 1
191 . 1 1 54 54 VAL H H 1 8.258 0.007 . 1 . . . . . 52 Val H . 27216 1
192 . 1 1 54 54 VAL N N 15 121.273 0.069 . 1 . . . . . 52 Val N . 27216 1
193 . 1 1 55 55 ASP CA C 13 54.297 0.000 . 1 . . . . . 53 Asp CA . 27216 1
194 . 1 1 55 55 ASP CB C 13 41.408 0.000 . 1 . . . . . 53 Asp CB . 27216 1
195 . 1 1 55 55 ASP H H 1 8.550 0.009 . 1 . . . . . 53 Asp H . 27216 1
196 . 1 1 55 55 ASP N N 15 125.094 0.076 . 1 . . . . . 53 Asp N . 27216 1
197 . 1 1 56 56 GLU H H 1 8.529 0.009 . 1 . . . . . 54 Glu H . 27216 1
198 . 1 1 56 56 GLU N N 15 122.332 0.072 . 1 . . . . . 54 Glu N . 27216 1
199 . 1 1 57 57 GLU H H 1 8.569 0.006 . 1 . . . . . 55 Glu H . 27216 1
200 . 1 1 57 57 GLU N N 15 122.205 0.107 . 1 . . . . . 55 Glu N . 27216 1
201 . 1 1 59 59 GLU CA C 13 56.344 0.000 . 1 . . . . . 57 Glu CA . 27216 1
202 . 1 1 59 59 GLU CB C 13 30.714 0.000 . 1 . . . . . 57 Glu CB . 27216 1
203 . 1 1 59 59 GLU H H 1 8.609 0.006 . 1 . . . . . 57 Glu H . 27216 1
204 . 1 1 59 59 GLU N N 15 123.178 0.053 . 1 . . . . . 57 Glu N . 27216 1
205 . 1 1 60 60 GLU CA C 13 56.628 0.081 . 1 . . . . . 58 Glu CA . 27216 1
206 . 1 1 60 60 GLU CB C 13 30.666 0.055 . 1 . . . . . 58 Glu CB . 27216 1
207 . 1 1 60 60 GLU H H 1 8.677 0.012 . 1 . . . . . 58 Glu H . 27216 1
208 . 1 1 60 60 GLU N N 15 123.297 0.057 . 1 . . . . . 58 Glu N . 27216 1
209 . 1 1 61 61 GLY CA C 13 45.426 0.015 . 1 . . . . . 59 Gly CA . 27216 1
210 . 1 1 61 61 GLY H H 1 8.655 0.007 . 1 . . . . . 59 Gly H . 27216 1
211 . 1 1 61 61 GLY N N 15 110.726 0.032 . 1 . . . . . 59 Gly N . 27216 1
212 . 1 1 62 62 GLY CA C 13 45.262 0.015 . 1 . . . . . 60 Gly CA . 27216 1
213 . 1 1 62 62 GLY H H 1 8.442 0.008 . 1 . . . . . 60 Gly H . 27216 1
214 . 1 1 62 62 GLY N N 15 109.085 0.046 . 1 . . . . . 60 Gly N . 27216 1
215 . 1 1 63 63 GLU CA C 13 56.617 0.000 . 1 . . . . . 61 Glu CA . 27216 1
216 . 1 1 63 63 GLU CB C 13 30.531 0.000 . 1 . . . . . 61 Glu CB . 27216 1
217 . 1 1 63 63 GLU H H 1 8.556 0.009 . 1 . . . . . 61 Glu H . 27216 1
218 . 1 1 63 63 GLU N N 15 120.573 0.034 . 1 . . . . . 61 Glu N . 27216 1
219 . 1 1 64 64 GLU N N 15 122.195 0.000 . 1 . . . . . 62 Glu N . 27216 1
220 . 1 1 69 69 GLU N N 15 123.370 0.000 . 1 . . . . . 67 Glu N . 27216 1
221 . 1 1 70 70 GLU CA C 13 56.858 0.000 . 1 . . . . . 68 Glu CA . 27216 1
222 . 1 1 70 70 GLU CB C 13 30.668 0.000 . 1 . . . . . 68 Glu CB . 27216 1
223 . 1 1 70 70 GLU H H 1 8.707 0.007 . 1 . . . . . 68 Glu H . 27216 1
224 . 1 1 70 70 GLU N N 15 123.394 0.057 . 1 . . . . . 68 Glu N . 27216 1
225 . 1 1 71 71 GLY CA C 13 45.227 0.051 . 1 . . . . . 69 Gly CA . 27216 1
226 . 1 1 71 71 GLY H H 1 8.581 0.008 . 1 . . . . . 69 Gly H . 27216 1
227 . 1 1 71 71 GLY N N 15 110.587 0.037 . 1 . . . . . 69 Gly N . 27216 1
228 . 1 1 72 72 ASP CA C 13 54.398 0.023 . 1 . . . . . 70 Asp CA . 27216 1
229 . 1 1 72 72 ASP CB C 13 41.463 0.055 . 1 . . . . . 70 Asp CB . 27216 1
230 . 1 1 72 72 ASP H H 1 8.454 0.006 . 1 . . . . . 70 Asp H . 27216 1
231 . 1 1 72 72 ASP N N 15 120.409 0.069 . 1 . . . . . 70 Asp N . 27216 1
232 . 1 1 73 73 GLY CA C 13 45.436 0.021 . 1 . . . . . 71 Gly CA . 27216 1
233 . 1 1 73 73 GLY H H 1 8.567 0.009 . 1 . . . . . 71 Gly H . 27216 1
234 . 1 1 73 73 GLY N N 15 109.579 0.043 . 1 . . . . . 71 Gly N . 27216 1
235 . 1 1 74 74 GLU CA C 13 56.413 0.000 . 1 . . . . . 72 Glu CA . 27216 1
236 . 1 1 74 74 GLU CB C 13 30.565 0.000 . 1 . . . . . 72 Glu CB . 27216 1
237 . 1 1 74 74 GLU H H 1 8.406 0.006 . 1 . . . . . 72 Glu H . 27216 1
238 . 1 1 74 74 GLU N N 15 120.490 0.022 . 1 . . . . . 72 Glu N . 27216 1
239 . 1 1 75 75 GLU H H 1 8.651 0.008 . 1 . . . . . 73 Glu H . 27216 1
240 . 1 1 75 75 GLU N N 15 122.219 0.057 . 1 . . . . . 73 Glu N . 27216 1
241 . 1 1 76 76 GLU H H 1 8.608 0.009 . 1 . . . . . 74 Glu H . 27216 1
242 . 1 1 76 76 GLU N N 15 122.635 0.056 . 1 . . . . . 74 Glu N . 27216 1
243 . 1 1 77 77 ASP CA C 13 54.604 0.026 . 1 . . . . . 75 Asp CA . 27216 1
244 . 1 1 77 77 ASP CB C 13 41.475 0.029 . 1 . . . . . 75 Asp CB . 27216 1
245 . 1 1 77 77 ASP H H 1 8.589 0.006 . 1 . . . . . 75 Asp H . 27216 1
246 . 1 1 77 77 ASP N N 15 122.373 0.064 . 1 . . . . . 75 Asp N . 27216 1
247 . 1 1 78 78 GLY CA C 13 45.377 0.000 . 1 . . . . . 76 Gly CA . 27216 1
248 . 1 1 78 78 GLY H H 1 8.479 0.008 . 1 . . . . . 76 Gly H . 27216 1
249 . 1 1 78 78 GLY N N 15 109.660 0.045 . 1 . . . . . 76 Gly N . 27216 1
250 . 1 1 79 79 ASP CA C 13 54.280 0.013 . 1 . . . . . 77 Asp CA . 27216 1
251 . 1 1 79 79 ASP CB C 13 41.531 0.000 . 1 . . . . . 77 Asp CB . 27216 1
252 . 1 1 79 79 ASP H H 1 8.412 0.007 . 1 . . . . . 77 Asp H . 27216 1
253 . 1 1 79 79 ASP N N 15 120.716 0.048 . 1 . . . . . 77 Asp N . 27216 1
254 . 1 1 80 80 GLU H H 1 8.589 0.009 . 1 . . . . . 78 Glu H . 27216 1
255 . 1 1 80 80 GLU N N 15 121.440 0.060 . 1 . . . . . 78 Glu N . 27216 1
256 . 1 1 83 83 GLU CA C 13 56.707 0.000 . 1 . . . . . 81 Glu CA . 27216 1
257 . 1 1 83 83 GLU CB C 13 30.232 0.000 . 1 . . . . . 81 Glu CB . 27216 1
258 . 1 1 83 83 GLU H H 1 8.548 0.007 . 1 . . . . . 81 Glu H . 27216 1
259 . 1 1 83 83 GLU N N 15 122.016 0.045 . 1 . . . . . 81 Glu N . 27216 1
260 . 1 1 84 84 ALA CA C 13 52.923 0.037 . 1 . . . . . 82 Ala CA . 27216 1
261 . 1 1 84 84 ALA CB C 13 19.427 0.057 . 1 . . . . . 82 Ala CB . 27216 1
262 . 1 1 84 84 ALA H H 1 8.321 0.006 . 1 . . . . . 82 Ala H . 27216 1
263 . 1 1 84 84 ALA N N 15 125.311 0.040 . 1 . . . . . 82 Ala N . 27216 1
264 . 1 1 85 85 GLU CA C 13 56.923 0.000 . 1 . . . . . 83 Glu CA . 27216 1
265 . 1 1 85 85 GLU CB C 13 30.222 0.000 . 1 . . . . . 83 Glu CB . 27216 1
266 . 1 1 85 85 GLU H H 1 8.514 0.007 . 1 . . . . . 83 Glu H . 27216 1
267 . 1 1 85 85 GLU N N 15 120.230 0.050 . 1 . . . . . 83 Glu N . 27216 1
268 . 1 1 86 86 SER CA C 13 58.597 0.037 . 1 . . . . . 84 Ser CA . 27216 1
269 . 1 1 86 86 SER CB C 13 63.853 0.066 . 1 . . . . . 84 Ser CB . 27216 1
270 . 1 1 86 86 SER H H 1 8.374 0.006 . 1 . . . . . 84 Ser H . 27216 1
271 . 1 1 86 86 SER N N 15 116.686 0.056 . 1 . . . . . 84 Ser N . 27216 1
272 . 1 1 87 87 ALA CA C 13 53.144 0.000 . 1 . . . . . 85 Ala CA . 27216 1
273 . 1 1 87 87 ALA CB C 13 19.253 0.000 . 1 . . . . . 85 Ala CB . 27216 1
274 . 1 1 87 87 ALA H H 1 8.498 0.009 . 1 . . . . . 85 Ala H . 27216 1
275 . 1 1 87 87 ALA N N 15 126.321 0.048 . 1 . . . . . 85 Ala N . 27216 1
276 . 1 1 88 88 THR CA C 13 62.379 0.064 . 1 . . . . . 86 Thr CA . 27216 1
277 . 1 1 88 88 THR CB C 13 69.741 0.044 . 1 . . . . . 86 Thr CB . 27216 1
278 . 1 1 88 88 THR H H 1 8.161 0.007 . 1 . . . . . 86 Thr H . 27216 1
279 . 1 1 88 88 THR N N 15 112.124 0.057 . 1 . . . . . 86 Thr N . 27216 1
280 . 1 1 89 89 GLY CA C 13 45.397 0.013 . 1 . . . . . 87 Gly CA . 27216 1
281 . 1 1 89 89 GLY H H 1 8.373 0.008 . 1 . . . . . 87 Gly H . 27216 1
282 . 1 1 89 89 GLY N N 15 111.240 0.044 . 1 . . . . . 87 Gly N . 27216 1
283 . 1 1 90 90 LYS CA C 13 56.395 0.000 . 1 . . . . . 88 Lys CA . 27216 1
284 . 1 1 90 90 LYS CB C 13 33.226 0.038 . 1 . . . . . 88 Lys CB . 27216 1
285 . 1 1 90 90 LYS H H 1 8.188 0.008 . 1 . . . . . 88 Lys H . 27216 1
286 . 1 1 90 90 LYS N N 15 121.263 0.046 . 1 . . . . . 88 Lys N . 27216 1
287 . 1 1 91 91 ARG CA C 13 56.031 0.000 . 1 . . . . . 89 Arg CA . 27216 1
288 . 1 1 91 91 ARG CB C 13 30.999 0.000 . 1 . . . . . 89 Arg CB . 27216 1
289 . 1 1 91 91 ARG H H 1 8.521 0.008 . 1 . . . . . 89 Arg H . 27216 1
290 . 1 1 91 91 ARG N N 15 123.442 0.083 . 1 . . . . . 89 Arg N . 27216 1
291 . 1 1 92 92 ALA CA C 13 52.523 0.036 . 1 . . . . . 90 Ala CA . 27216 1
292 . 1 1 92 92 ALA CB C 13 19.259 0.053 . 1 . . . . . 90 Ala CB . 27216 1
293 . 1 1 92 92 ALA H H 1 8.551 0.007 . 1 . . . . . 90 Ala H . 27216 1
294 . 1 1 92 92 ALA N N 15 126.382 0.050 . 1 . . . . . 90 Ala N . 27216 1
295 . 1 1 93 93 ALA CA C 13 52.796 0.019 . 1 . . . . . 91 Ala CA . 27216 1
296 . 1 1 93 93 ALA CB C 13 19.328 0.000 . 1 . . . . . 91 Ala CB . 27216 1
297 . 1 1 93 93 ALA H H 1 8.444 0.008 . 1 . . . . . 91 Ala H . 27216 1
298 . 1 1 93 93 ALA N N 15 123.719 0.044 . 1 . . . . . 91 Ala N . 27216 1
299 . 1 1 94 94 GLU CA C 13 56.831 0.003 . 1 . . . . . 92 Glu CA . 27216 1
300 . 1 1 94 94 GLU CB C 13 30.148 0.050 . 1 . . . . . 92 Glu CB . 27216 1
301 . 1 1 94 94 GLU H H 1 8.519 0.008 . 1 . . . . . 92 Glu H . 27216 1
302 . 1 1 94 94 GLU N N 15 119.443 0.048 . 1 . . . . . 92 Glu N . 27216 1
303 . 1 1 95 95 ASP CA C 13 54.557 0.006 . 1 . . . . . 93 Asp CA . 27216 1
304 . 1 1 95 95 ASP CB C 13 41.279 0.000 . 1 . . . . . 93 Asp CB . 27216 1
305 . 1 1 95 95 ASP H H 1 8.308 0.008 . 1 . . . . . 93 Asp H . 27216 1
306 . 1 1 95 95 ASP N N 15 120.596 0.056 . 1 . . . . . 93 Asp N . 27216 1
307 . 1 1 96 96 ASP CB C 13 41.387 0.000 . 1 . . . . . 94 Asp CB . 27216 1
308 . 1 1 96 96 ASP H H 1 8.280 0.007 . 1 . . . . . 94 Asp H . 27216 1
309 . 1 1 96 96 ASP N N 15 120.732 0.052 . 1 . . . . . 94 Asp N . 27216 1
310 . 1 1 97 97 GLU CB C 13 33.230 0.000 . 1 . . . . . 95 Glu CB . 27216 1
311 . 1 1 97 97 GLU H H 1 8.401 0.008 . 1 . . . . . 95 Glu H . 27216 1
312 . 1 1 97 97 GLU N N 15 121.231 0.033 . 1 . . . . . 95 Glu N . 27216 1
313 . 1 1 98 98 ASP CA C 13 54.501 0.000 . 1 . . . . . 96 Asp CA . 27216 1
314 . 1 1 98 98 ASP CB C 13 41.420 0.007 . 1 . . . . . 96 Asp CB . 27216 1
315 . 1 1 98 98 ASP N N 15 121.783 0.004 . 1 . . . . . 96 Asp N . 27216 1
316 . 1 1 99 99 ASP CA C 13 54.487 0.071 . 1 . . . . . 97 Asp CA . 27216 1
317 . 1 1 99 99 ASP CB C 13 41.423 0.000 . 1 . . . . . 97 Asp CB . 27216 1
318 . 1 1 99 99 ASP H H 1 8.389 0.010 . 1 . . . . . 97 Asp H . 27216 1
319 . 1 1 99 99 ASP N N 15 121.384 0.070 . 1 . . . . . 97 Asp N . 27216 1
320 . 1 1 100 100 ASP CA C 13 54.245 0.000 . 1 . . . . . 98 Asp CA . 27216 1
321 . 1 1 100 100 ASP CB C 13 41.200 0.000 . 1 . . . . . 98 Asp CB . 27216 1
322 . 1 1 100 100 ASP H H 1 8.420 0.008 . 1 . . . . . 98 Asp H . 27216 1
323 . 1 1 100 100 ASP N N 15 120.972 0.042 . 1 . . . . . 98 Asp N . 27216 1
324 . 1 1 101 101 VAL CA C 13 63.015 0.026 . 1 . . . . . 99 Val CA . 27216 1
325 . 1 1 101 101 VAL CB C 13 32.586 0.000 . 1 . . . . . 99 Val CB . 27216 1
326 . 1 1 101 101 VAL H H 1 8.077 0.008 . 1 . . . . . 99 Val H . 27216 1
327 . 1 1 101 101 VAL N N 15 120.143 0.040 . 1 . . . . . 99 Val N . 27216 1
328 . 1 1 102 102 ASP CA C 13 54.913 0.005 . 1 . . . . . 100 Asp CA . 27216 1
329 . 1 1 102 102 ASP CB C 13 41.159 0.029 . 1 . . . . . 100 Asp CB . 27216 1
330 . 1 1 102 102 ASP H H 1 8.510 0.009 . 1 . . . . . 100 Asp H . 27216 1
331 . 1 1 102 102 ASP N N 15 122.947 0.095 . 1 . . . . . 100 Asp N . 27216 1
332 . 1 1 103 103 THR CA C 13 62.708 0.005 . 1 . . . . . 101 Thr CA . 27216 1
333 . 1 1 103 103 THR CB C 13 69.429 0.034 . 1 . . . . . 101 Thr CB . 27216 1
334 . 1 1 103 103 THR H H 1 8.111 0.009 . 1 . . . . . 101 Thr H . 27216 1
335 . 1 1 103 103 THR N N 15 115.103 0.053 . 1 . . . . . 101 Thr N . 27216 1
336 . 1 1 104 104 LYS CA C 13 56.797 0.017 . 1 . . . . . 102 Lys CA . 27216 1
337 . 1 1 104 104 LYS CB C 13 32.594 0.040 . 1 . . . . . 102 Lys CB . 27216 1
338 . 1 1 104 104 LYS H H 1 8.289 0.009 . 1 . . . . . 102 Lys H . 27216 1
339 . 1 1 104 104 LYS N N 15 123.259 0.046 . 1 . . . . . 102 Lys N . 27216 1
340 . 1 1 105 105 LYS CA C 13 56.624 0.000 . 1 . . . . . 103 Lys CA . 27216 1
341 . 1 1 105 105 LYS CB C 13 32.924 0.024 . 1 . . . . . 103 Lys CB . 27216 1
342 . 1 1 105 105 LYS H H 1 8.217 0.008 . 1 . . . . . 103 Lys H . 27216 1
343 . 1 1 105 105 LYS N N 15 122.280 0.053 . 1 . . . . . 103 Lys N . 27216 1
344 . 1 1 106 106 GLN CA C 13 55.913 0.067 . 1 . . . . . 104 Gln CA . 27216 1
345 . 1 1 106 106 GLN CB C 13 29.546 0.048 . 1 . . . . . 104 Gln CB . 27216 1
346 . 1 1 106 106 GLN H H 1 8.451 0.008 . 1 . . . . . 104 Gln H . 27216 1
347 . 1 1 106 106 GLN N N 15 122.054 0.040 . 1 . . . . . 104 Gln N . 27216 1
348 . 1 1 107 107 LYS CA C 13 56.552 0.000 . 1 . . . . . 105 Lys CA . 27216 1
349 . 1 1 107 107 LYS CB C 13 33.198 0.000 . 1 . . . . . 105 Lys CB . 27216 1
350 . 1 1 107 107 LYS H H 1 8.530 0.009 . 1 . . . . . 105 Lys H . 27216 1
351 . 1 1 107 107 LYS N N 15 123.748 0.072 . 1 . . . . . 105 Lys N . 27216 1
352 . 1 1 108 108 THR CA C 13 61.615 0.034 . 1 . . . . . 106 Thr CA . 27216 1
353 . 1 1 108 108 THR CB C 13 70.162 0.024 . 1 . . . . . 106 Thr CB . 27216 1
354 . 1 1 108 108 THR H H 1 8.499 0.009 . 1 . . . . . 106 Thr H . 27216 1
355 . 1 1 108 108 THR N N 15 115.764 0.045 . 1 . . . . . 106 Thr N . 27216 1
356 . 1 1 109 109 ASP CA C 13 54.749 0.000 . 1 . . . . . 107 Asp CA . 27216 1
357 . 1 1 109 109 ASP CB C 13 41.184 0.000 . 1 . . . . . 107 Asp CB . 27216 1
358 . 1 1 109 109 ASP H H 1 8.493 0.009 . 1 . . . . . 107 Asp H . 27216 1
359 . 1 1 109 109 ASP N N 15 122.146 0.048 . 1 . . . . . 107 Asp N . 27216 1
360 . 1 1 110 110 GLU CA C 13 56.718 0.014 . 1 . . . . . 108 Glu CA . 27216 1
361 . 1 1 110 110 GLU CB C 13 30.533 0.004 . 1 . . . . . 108 Glu CB . 27216 1
362 . 1 1 110 110 GLU H H 1 8.347 0.008 . 1 . . . . . 108 Glu H . 27216 1
363 . 1 1 110 110 GLU N N 15 120.207 0.053 . 1 . . . . . 108 Glu N . 27216 1
364 . 1 1 111 111 ASP CA C 13 54.585 0.008 . 1 . . . . . 109 Asp CA . 27216 1
365 . 1 1 111 111 ASP CB C 13 41.494 0.008 . 1 . . . . . 109 Asp CB . 27216 1
366 . 1 1 111 111 ASP H H 1 8.333 0.009 . 1 . . . . . 109 Asp H . 27216 1
367 . 1 1 111 111 ASP N N 15 121.468 0.048 . 1 . . . . . 109 Asp N . 27216 1
368 . 1 1 112 112 ASP CA C 13 56.168 0.000 . 1 . . . . . 110 Asp CA . 27216 1
369 . 1 1 112 112 ASP CB C 13 42.131 0.000 . 1 . . . . . 110 Asp CB . 27216 1
370 . 1 1 112 112 ASP H H 1 7.991 0.007 . 1 . . . . . 110 Asp H . 27216 1
371 . 1 1 112 112 ASP N N 15 126.035 0.040 . 1 . . . . . 110 Asp N . 27216 1
stop_
save_