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 52882
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'Assigned Backbone Chemical Shifts of PstA apo without His-Tag'
_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 TROSY' . . . 52882 1
2 '3D CBCA(CO)NH' . . . 52882 1
3 '3D HNCA' . . . 52882 1
4 '3D HNCACB' . . . 52882 1
7 '2D 1H-15N HSQC' . . . 52882 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 . . 52882 1
2 $software_2 . . 52882 1
3 $software_3 . . 52882 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 MET H H 1 8.429 0.005 . 1 . . . . . 1 MET H . 52882 1
2 . 1 . 1 1 1 MET CA C 13 50.654 0.002 . 1 . . . . . 1 MET CA . 52882 1
3 . 1 . 1 1 1 MET CB C 13 30.572 0.010 . 1 . . . . . 1 MET CB . 52882 1
4 . 1 . 1 1 1 MET N N 15 119.196 0.049 . 1 . . . . . 1 MET N . 52882 1
5 . 1 . 1 2 2 LYS H H 1 8.999 0.005 . 1 . . . . . 2 LYS H . 52882 1
6 . 1 . 1 2 2 LYS CA C 13 49.748 0.000 . 1 . . . . . 2 LYS CA . 52882 1
7 . 1 . 1 2 2 LYS CB C 13 32.051 0.000 . 1 . . . . . 2 LYS CB . 52882 1
8 . 1 . 1 2 2 LYS N N 15 117.632 0.056 . 1 . . . . . 2 LYS N . 52882 1
9 . 1 . 1 6 6 ALA H H 1 9.176 0.007 . 1 . . . . . 6 ALA H . 52882 1
10 . 1 . 1 6 6 ALA CA C 13 46.264 0.028 . 1 . . . . . 6 ALA CA . 52882 1
11 . 1 . 1 6 6 ALA CB C 13 17.625 0.000 . 1 . . . . . 6 ALA CB . 52882 1
12 . 1 . 1 6 6 ALA N N 15 128.813 0.046 . 1 . . . . . 6 ALA N . 52882 1
13 . 1 . 1 7 7 ILE H H 1 9.400 0.004 . 1 . . . . . 7 ILE H . 52882 1
14 . 1 . 1 7 7 ILE CA C 13 58.522 0.043 . 1 . . . . . 7 ILE CA . 52882 1
15 . 1 . 1 7 7 ILE CB C 13 35.947 0.000 . 1 . . . . . 7 ILE CB . 52882 1
16 . 1 . 1 7 7 ILE N N 15 125.341 0.038 . 1 . . . . . 7 ILE N . 52882 1
17 . 1 . 1 8 8 VAL H H 1 9.102 0.010 . 1 . . . . . 8 VAL H . 52882 1
18 . 1 . 1 8 8 VAL CA C 13 55.765 0.017 . 1 . . . . . 8 VAL CA . 52882 1
19 . 1 . 1 8 8 VAL CB C 13 31.588 0.001 . 1 . . . . . 8 VAL CB . 52882 1
20 . 1 . 1 8 8 VAL N N 15 121.654 0.053 . 1 . . . . . 8 VAL N . 52882 1
21 . 1 . 1 9 9 GLN H H 1 9.675 0.015 . 1 . . . . . 9 GLN H . 52882 1
22 . 1 . 1 9 9 GLN CA C 13 53.130 0.020 . 1 . . . . . 9 GLN CA . 52882 1
23 . 1 . 1 9 9 GLN CB C 13 25.488 0.040 . 1 . . . . . 9 GLN CB . 52882 1
24 . 1 . 1 9 9 GLN N N 15 120.853 0.028 . 1 . . . . . 9 GLN N . 52882 1
25 . 1 . 1 10 10 ASP H H 1 8.755 0.006 . 1 . . . . . 10 ASP H . 52882 1
26 . 1 . 1 10 10 ASP CA C 13 55.042 0.000 . 1 . . . . . 10 ASP CA . 52882 1
27 . 1 . 1 10 10 ASP CB C 13 37.473 0.000 . 1 . . . . . 10 ASP CB . 52882 1
28 . 1 . 1 10 10 ASP N N 15 123.626 0.029 . 1 . . . . . 10 ASP N . 52882 1
29 . 1 . 1 11 11 GLN H H 1 9.127 0.004 . 1 . . . . . 11 GLN H . 52882 1
30 . 1 . 1 11 11 GLN CA C 13 55.326 0.000 . 1 . . . . . 11 GLN CA . 52882 1
31 . 1 . 1 11 11 GLN CB C 13 24.776 0.105 . 1 . . . . . 11 GLN CB . 52882 1
32 . 1 . 1 11 11 GLN N N 15 117.219 0.010 . 1 . . . . . 11 GLN N . 52882 1
33 . 1 . 1 12 12 ASP H H 1 7.627 0.005 . 1 . . . . . 12 ASP H . 52882 1
34 . 1 . 1 12 12 ASP CA C 13 51.992 0.021 . 1 . . . . . 12 ASP CA . 52882 1
35 . 1 . 1 12 12 ASP CB C 13 40.061 0.059 . 1 . . . . . 12 ASP CB . 52882 1
36 . 1 . 1 12 12 ASP N N 15 118.107 0.019 . 1 . . . . . 12 ASP N . 52882 1
37 . 1 . 1 13 13 SER H H 1 7.837 0.004 . 1 . . . . . 13 SER H . 52882 1
38 . 1 . 1 13 13 SER CA C 13 59.680 0.000 . 1 . . . . . 13 SER CA . 52882 1
39 . 1 . 1 13 13 SER CB C 13 60.575 0.000 . 1 . . . . . 13 SER CB . 52882 1
40 . 1 . 1 13 13 SER N N 15 115.149 0.056 . 1 . . . . . 13 SER N . 52882 1
41 . 1 . 1 14 14 GLN CA C 13 52.585 0.000 . 1 . . . . . 14 GLN CA . 52882 1
42 . 1 . 1 14 14 GLN CB C 13 24.751 0.000 . 1 . . . . . 14 GLN CB . 52882 1
43 . 1 . 1 15 15 GLU H H 1 8.405 0.002 . 1 . . . . . 15 GLU H . 52882 1
44 . 1 . 1 15 15 GLU CA C 13 55.904 0.036 . 1 . . . . . 15 GLU CA . 52882 1
45 . 1 . 1 15 15 GLU CB C 13 25.442 0.001 . 1 . . . . . 15 GLU CB . 52882 1
46 . 1 . 1 15 15 GLU N N 15 120.381 0.030 . 1 . . . . . 15 GLU N . 52882 1
47 . 1 . 1 16 16 LEU H H 1 8.067 0.003 . 1 . . . . . 16 LEU H . 52882 1
48 . 1 . 1 16 16 LEU CA C 13 54.965 0.000 . 1 . . . . . 16 LEU CA . 52882 1
49 . 1 . 1 16 16 LEU CB C 13 36.201 0.012 . 1 . . . . . 16 LEU CB . 52882 1
50 . 1 . 1 16 16 LEU N N 15 117.622 0.039 . 1 . . . . . 16 LEU N . 52882 1
51 . 1 . 1 17 17 ALA H H 1 8.376 0.014 . 1 . . . . . 17 ALA H . 52882 1
52 . 1 . 1 17 17 ALA CA C 13 52.677 0.026 . 1 . . . . . 17 ALA CA . 52882 1
53 . 1 . 1 17 17 ALA CB C 13 14.600 0.016 . 1 . . . . . 17 ALA CB . 52882 1
54 . 1 . 1 17 17 ALA N N 15 120.505 0.043 . 1 . . . . . 17 ALA N . 52882 1
55 . 1 . 1 18 18 ASP H H 1 8.266 0.005 . 1 . . . . . 18 ASP H . 52882 1
56 . 1 . 1 18 18 ASP CA C 13 54.358 0.114 . 1 . . . . . 18 ASP CA . 52882 1
57 . 1 . 1 18 18 ASP CB C 13 37.506 0.062 . 1 . . . . . 18 ASP CB . 52882 1
58 . 1 . 1 18 18 ASP N N 15 117.951 0.030 . 1 . . . . . 18 ASP N . 52882 1
59 . 1 . 1 19 19 GLN H H 1 8.515 0.004 . 1 . . . . . 19 GLN H . 52882 1
60 . 1 . 1 19 19 GLN CA C 13 55.194 0.045 . 1 . . . . . 19 GLN CA . 52882 1
61 . 1 . 1 19 19 GLN CB C 13 24.933 0.000 . 1 . . . . . 19 GLN CB . 52882 1
62 . 1 . 1 19 19 GLN N N 15 119.123 0.041 . 1 . . . . . 19 GLN N . 52882 1
63 . 1 . 1 20 20 LEU H H 1 8.992 0.007 . 1 . . . . . 20 LEU H . 52882 1
64 . 1 . 1 20 20 LEU CA C 13 55.994 0.028 . 1 . . . . . 20 LEU CA . 52882 1
65 . 1 . 1 20 20 LEU CB C 13 36.250 0.012 . 1 . . . . . 20 LEU CB . 52882 1
66 . 1 . 1 20 20 LEU N N 15 121.510 0.043 . 1 . . . . . 20 LEU N . 52882 1
67 . 1 . 1 21 21 VAL H H 1 7.676 0.003 . 1 . . . . . 21 VAL H . 52882 1
68 . 1 . 1 21 21 VAL CA C 13 63.696 0.089 . 1 . . . . . 21 VAL CA . 52882 1
69 . 1 . 1 21 21 VAL CB C 13 28.349 0.015 . 1 . . . . . 21 VAL CB . 52882 1
70 . 1 . 1 21 21 VAL N N 15 119.139 0.031 . 1 . . . . . 21 VAL N . 52882 1
71 . 1 . 1 22 22 LYS H H 1 8.162 0.006 . 1 . . . . . 22 LYS H . 52882 1
72 . 1 . 1 22 22 LYS CA C 13 56.130 0.018 . 1 . . . . . 22 LYS CA . 52882 1
73 . 1 . 1 22 22 LYS CB C 13 29.106 0.074 . 1 . . . . . 22 LYS CB . 52882 1
74 . 1 . 1 22 22 LYS N N 15 121.282 0.036 . 1 . . . . . 22 LYS N . 52882 1
75 . 1 . 1 23 23 ASN H H 1 7.423 0.004 . 1 . . . . . 23 ASN H . 52882 1
76 . 1 . 1 23 23 ASN CA C 13 50.598 0.039 . 1 . . . . . 23 ASN CA . 52882 1
77 . 1 . 1 23 23 ASN CB C 13 36.722 0.058 . 1 . . . . . 23 ASN CB . 52882 1
78 . 1 . 1 23 23 ASN N N 15 114.273 0.037 . 1 . . . . . 23 ASN N . 52882 1
79 . 1 . 1 24 24 ASN H H 1 8.015 0.001 . 1 . . . . . 24 ASN H . 52882 1
80 . 1 . 1 24 24 ASN CA C 13 51.571 0.055 . 1 . . . . . 24 ASN CA . 52882 1
81 . 1 . 1 24 24 ASN CB C 13 33.288 0.029 . 1 . . . . . 24 ASN CB . 52882 1
82 . 1 . 1 24 24 ASN N N 15 112.888 0.045 . 1 . . . . . 24 ASN N . 52882 1
83 . 1 . 1 25 25 PHE H H 1 8.360 0.004 . 1 . . . . . 25 PHE H . 52882 1
84 . 1 . 1 25 25 PHE CA C 13 54.490 0.050 . 1 . . . . . 25 PHE CA . 52882 1
85 . 1 . 1 25 25 PHE CB C 13 37.669 0.100 . 1 . . . . . 25 PHE CB . 52882 1
86 . 1 . 1 25 25 PHE N N 15 116.927 0.040 . 1 . . . . . 25 PHE N . 52882 1
87 . 1 . 1 26 26 ARG H H 1 8.908 0.006 . 1 . . . . . 26 ARG H . 52882 1
88 . 1 . 1 26 26 ARG CA C 13 52.233 0.015 . 1 . . . . . 26 ARG CA . 52882 1
89 . 1 . 1 26 26 ARG CB C 13 26.355 0.058 . 1 . . . . . 26 ARG CB . 52882 1
90 . 1 . 1 26 26 ARG N N 15 123.979 0.131 . 1 . . . . . 26 ARG N . 52882 1
91 . 1 . 1 27 27 ALA H H 1 8.990 0.007 . 1 . . . . . 27 ALA H . 52882 1
92 . 1 . 1 27 27 ALA CA C 13 47.707 0.070 . 1 . . . . . 27 ALA CA . 52882 1
93 . 1 . 1 27 27 ALA CB C 13 19.902 0.027 . 1 . . . . . 27 ALA CB . 52882 1
94 . 1 . 1 27 27 ALA N N 15 128.991 0.030 . 1 . . . . . 27 ALA N . 52882 1
95 . 1 . 1 28 28 THR H H 1 9.077 0.006 . 1 . . . . . 28 THR H . 52882 1
96 . 1 . 1 28 28 THR CA C 13 59.444 0.058 . 1 . . . . . 28 THR CA . 52882 1
97 . 1 . 1 28 28 THR CB C 13 68.261 0.007 . 1 . . . . . 28 THR CB . 52882 1
98 . 1 . 1 28 28 THR N N 15 119.525 0.020 . 1 . . . . . 28 THR N . 52882 1
99 . 1 . 1 29 29 LYS H H 1 8.709 0.005 . 1 . . . . . 29 LYS H . 52882 1
100 . 1 . 1 29 29 LYS CA C 13 52.297 0.051 . 1 . . . . . 29 LYS CA . 52882 1
101 . 1 . 1 29 29 LYS CB C 13 30.286 0.017 . 1 . . . . . 29 LYS CB . 52882 1
102 . 1 . 1 29 29 LYS N N 15 127.752 0.025 . 1 . . . . . 29 LYS N . 52882 1
103 . 1 . 1 30 30 LEU H H 1 8.886 0.005 . 1 . . . . . 30 LEU H . 52882 1
104 . 1 . 1 30 30 LEU CA C 13 51.021 0.028 . 1 . . . . . 30 LEU CA . 52882 1
105 . 1 . 1 30 30 LEU CB C 13 39.014 0.011 . 1 . . . . . 30 LEU CB . 52882 1
106 . 1 . 1 30 30 LEU N N 15 126.084 0.026 . 1 . . . . . 30 LEU N . 52882 1
107 . 1 . 1 31 31 ALA H H 1 8.115 0.002 . 1 . . . . . 31 ALA H . 52882 1
108 . 1 . 1 31 31 ALA CA C 13 49.160 0.033 . 1 . . . . . 31 ALA CA . 52882 1
109 . 1 . 1 31 31 ALA CB C 13 16.377 0.010 . 1 . . . . . 31 ALA CB . 52882 1
110 . 1 . 1 31 31 ALA N N 15 123.545 0.093 . 1 . . . . . 31 ALA N . 52882 1
111 . 1 . 1 32 32 THR H H 1 8.412 0.005 . 1 . . . . . 32 THR H . 52882 1
112 . 1 . 1 32 32 THR CA C 13 58.032 0.103 . 1 . . . . . 32 THR CA . 52882 1
113 . 1 . 1 32 32 THR CB C 13 67.586 0.030 . 1 . . . . . 32 THR CB . 52882 1
114 . 1 . 1 32 32 THR N N 15 115.924 0.027 . 1 . . . . . 32 THR N . 52882 1
115 . 1 . 1 33 33 THR H H 1 8.496 0.005 . 1 . . . . . 33 THR H . 52882 1
116 . 1 . 1 33 33 THR CA C 13 58.590 0.046 . 1 . . . . . 33 THR CA . 52882 1
117 . 1 . 1 33 33 THR CB C 13 67.262 0.081 . 1 . . . . . 33 THR CB . 52882 1
118 . 1 . 1 33 33 THR N N 15 115.209 0.029 . 1 . . . . . 33 THR N . 52882 1
119 . 1 . 1 34 34 GLY H H 1 8.544 0.003 . 1 . . . . . 34 GLY H . 52882 1
120 . 1 . 1 34 34 GLY CA C 13 42.183 0.000 . 1 . . . . . 34 GLY CA . 52882 1
121 . 1 . 1 34 34 GLY N N 15 110.963 0.065 . 1 . . . . . 34 GLY N . 52882 1
122 . 1 . 1 35 35 GLY CA C 13 42.242 0.027 . 1 . . . . . 35 GLY CA . 52882 1
123 . 1 . 1 36 36 PHE H H 1 8.327 0.006 . 1 . . . . . 36 PHE H . 52882 1
124 . 1 . 1 36 36 PHE CA C 13 55.571 0.039 . 1 . . . . . 36 PHE CA . 52882 1
125 . 1 . 1 36 36 PHE CB C 13 35.811 0.033 . 1 . . . . . 36 PHE CB . 52882 1
126 . 1 . 1 36 36 PHE N N 15 120.375 0.077 . 1 . . . . . 36 PHE N . 52882 1
127 . 1 . 1 37 37 LEU H H 1 8.346 0.003 . 1 . . . . . 37 LEU H . 52882 1
128 . 1 . 1 37 37 LEU CA C 13 52.484 0.008 . 1 . . . . . 37 LEU CA . 52882 1
129 . 1 . 1 37 37 LEU CB C 13 38.064 0.024 . 1 . . . . . 37 LEU CB . 52882 1
130 . 1 . 1 37 37 LEU N N 15 120.817 0.077 . 1 . . . . . 37 LEU N . 52882 1
131 . 1 . 1 38 38 ARG H H 1 8.056 0.002 . 1 . . . . . 38 ARG H . 52882 1
132 . 1 . 1 38 38 ARG CA C 13 53.250 0.007 . 1 . . . . . 38 ARG CA . 52882 1
133 . 1 . 1 38 38 ARG CB C 13 26.920 0.045 . 1 . . . . . 38 ARG CB . 52882 1
134 . 1 . 1 38 38 ARG N N 15 118.697 0.018 . 1 . . . . . 38 ARG N . 52882 1
135 . 1 . 1 39 39 ALA H H 1 8.169 0.004 . 1 . . . . . 39 ALA H . 52882 1
136 . 1 . 1 39 39 ALA CA C 13 49.304 0.035 . 1 . . . . . 39 ALA CA . 52882 1
137 . 1 . 1 39 39 ALA CB C 13 16.235 0.007 . 1 . . . . . 39 ALA CB . 52882 1
138 . 1 . 1 39 39 ALA N N 15 123.384 0.025 . 1 . . . . . 39 ALA N . 52882 1
139 . 1 . 1 40 40 GLY H H 1 8.337 0.003 . 1 . . . . . 40 GLY H . 52882 1
140 . 1 . 1 40 40 GLY CA C 13 42.415 0.000 . 1 . . . . . 40 GLY CA . 52882 1
141 . 1 . 1 40 40 GLY N N 15 108.419 0.017 . 1 . . . . . 40 GLY N . 52882 1
142 . 1 . 1 43 43 THR CA C 13 59.460 0.000 . 1 . . . . . 43 THR CA . 52882 1
143 . 1 . 1 43 43 THR CB C 13 66.834 0.000 . 1 . . . . . 43 THR CB . 52882 1
144 . 1 . 1 44 44 PHE H H 1 9.778 0.004 . 1 . . . . . 44 PHE H . 52882 1
145 . 1 . 1 44 44 PHE CA C 13 53.438 0.050 . 1 . . . . . 44 PHE CA . 52882 1
146 . 1 . 1 44 44 PHE CB C 13 39.140 0.015 . 1 . . . . . 44 PHE CB . 52882 1
147 . 1 . 1 44 44 PHE N N 15 124.391 0.033 . 1 . . . . . 44 PHE N . 52882 1
148 . 1 . 1 45 45 LEU H H 1 8.940 0.005 . 1 . . . . . 45 LEU H . 52882 1
149 . 1 . 1 45 45 LEU CA C 13 50.648 0.038 . 1 . . . . . 45 LEU CA . 52882 1
150 . 1 . 1 45 45 LEU CB C 13 40.592 0.033 . 1 . . . . . 45 LEU CB . 52882 1
151 . 1 . 1 45 45 LEU N N 15 119.522 0.105 . 1 . . . . . 45 LEU N . 52882 1
152 . 1 . 1 46 46 CYS H H 1 9.176 0.006 . 1 . . . . . 46 CYS H . 52882 1
153 . 1 . 1 46 46 CYS CA C 13 55.539 0.100 . 1 . . . . . 46 CYS CA . 52882 1
154 . 1 . 1 46 46 CYS CB C 13 26.470 0.001 . 1 . . . . . 46 CYS CB . 52882 1
155 . 1 . 1 46 46 CYS N N 15 124.035 0.101 . 1 . . . . . 46 CYS N . 52882 1
156 . 1 . 1 47 47 GLY H H 1 9.256 0.004 . 1 . . . . . 47 GLY H . 52882 1
157 . 1 . 1 47 47 GLY CA C 13 42.360 0.005 . 1 . . . . . 47 GLY CA . 52882 1
158 . 1 . 1 47 47 GLY N N 15 117.674 0.048 . 1 . . . . . 47 GLY N . 52882 1
159 . 1 . 1 48 48 VAL H H 1 9.090 0.005 . 1 . . . . . 48 VAL H . 52882 1
160 . 1 . 1 48 48 VAL CA C 13 56.119 0.005 . 1 . . . . . 48 VAL CA . 52882 1
161 . 1 . 1 48 48 VAL CB C 13 32.621 0.072 . 1 . . . . . 48 VAL CB . 52882 1
162 . 1 . 1 48 48 VAL N N 15 122.004 0.080 . 1 . . . . . 48 VAL N . 52882 1
163 . 1 . 1 49 49 ASN H H 1 8.455 0.005 . 1 . . . . . 49 ASN H . 52882 1
164 . 1 . 1 49 49 ASN CA C 13 51.392 0.064 . 1 . . . . . 49 ASN CA . 52882 1
165 . 1 . 1 49 49 ASN CB C 13 36.420 0.183 . 1 . . . . . 49 ASN CB . 52882 1
166 . 1 . 1 49 49 ASN N N 15 122.945 0.021 . 1 . . . . . 49 ASN N . 52882 1
167 . 1 . 1 50 50 ASP H H 1 8.739 0.004 . 1 . . . . . 50 ASP H . 52882 1
168 . 1 . 1 50 50 ASP CA C 13 54.141 0.037 . 1 . . . . . 50 ASP CA . 52882 1
169 . 1 . 1 50 50 ASP CB C 13 36.778 0.126 . 1 . . . . . 50 ASP CB . 52882 1
170 . 1 . 1 50 50 ASP N N 15 122.227 0.042 . 1 . . . . . 50 ASP N . 52882 1
171 . 1 . 1 51 51 ASP H H 1 8.491 0.005 . 1 . . . . . 51 ASP H . 52882 1
172 . 1 . 1 51 51 ASP CA C 13 51.998 0.006 . 1 . . . . . 51 ASP CA . 52882 1
173 . 1 . 1 51 51 ASP CB C 13 36.712 0.013 . 1 . . . . . 51 ASP CB . 52882 1
174 . 1 . 1 51 51 ASP N N 15 117.250 0.043 . 1 . . . . . 51 ASP N . 52882 1
175 . 1 . 1 52 52 ARG H H 1 8.383 0.002 . 1 . . . . . 52 ARG H . 52882 1
176 . 1 . 1 52 52 ARG CA C 13 53.435 0.039 . 1 . . . . . 52 ARG CA . 52882 1
177 . 1 . 1 52 52 ARG CB C 13 28.255 0.062 . 1 . . . . . 52 ARG CB . 52882 1
178 . 1 . 1 52 52 ARG N N 15 117.420 0.046 . 1 . . . . . 52 ARG N . 52882 1
179 . 1 . 1 53 53 VAL H H 1 7.348 0.002 . 1 . . . . . 53 VAL H . 52882 1
180 . 1 . 1 53 53 VAL CA C 13 63.753 0.003 . 1 . . . . . 53 VAL CA . 52882 1
181 . 1 . 1 53 53 VAL CB C 13 28.310 0.035 . 1 . . . . . 53 VAL CB . 52882 1
182 . 1 . 1 53 53 VAL N N 15 122.113 0.042 . 1 . . . . . 53 VAL N . 52882 1
183 . 1 . 1 54 54 ASP H H 1 8.521 0.005 . 1 . . . . . 54 ASP H . 52882 1
184 . 1 . 1 54 54 ASP CA C 13 54.869 0.083 . 1 . . . . . 54 ASP CA . 52882 1
185 . 1 . 1 54 54 ASP CB C 13 36.170 0.014 . 1 . . . . . 54 ASP CB . 52882 1
186 . 1 . 1 54 54 ASP N N 15 118.318 0.012 . 1 . . . . . 54 ASP N . 52882 1
187 . 1 . 1 55 55 GLU H H 1 7.703 0.002 . 1 . . . . . 55 GLU H . 52882 1
188 . 1 . 1 55 55 GLU CA C 13 56.214 0.000 . 1 . . . . . 55 GLU CA . 52882 1
189 . 1 . 1 55 55 GLU CB C 13 26.450 0.000 . 1 . . . . . 55 GLU CB . 52882 1
190 . 1 . 1 55 55 GLU N N 15 120.675 0.053 . 1 . . . . . 55 GLU N . 52882 1
191 . 1 . 1 57 57 LEU CA C 13 55.164 0.013 . 1 . . . . . 57 LEU CA . 52882 1
192 . 1 . 1 57 57 LEU CB C 13 36.844 0.000 . 1 . . . . . 57 LEU CB . 52882 1
193 . 1 . 1 58 58 SER H H 1 7.687 0.007 . 1 . . . . . 58 SER H . 52882 1
194 . 1 . 1 58 58 SER CA C 13 58.331 0.030 . 1 . . . . . 58 SER CA . 52882 1
195 . 1 . 1 58 58 SER CB C 13 59.434 0.027 . 1 . . . . . 58 SER CB . 52882 1
196 . 1 . 1 58 58 SER N N 15 113.607 0.032 . 1 . . . . . 58 SER N . 52882 1
197 . 1 . 1 59 59 VAL H H 1 7.594 0.002 . 1 . . . . . 59 VAL H . 52882 1
198 . 1 . 1 59 59 VAL CA C 13 62.871 0.176 . 1 . . . . . 59 VAL CA . 52882 1
199 . 1 . 1 59 59 VAL CB C 13 28.156 0.000 . 1 . . . . . 59 VAL CB . 52882 1
200 . 1 . 1 59 59 VAL N N 15 121.965 0.015 . 1 . . . . . 59 VAL N . 52882 1
201 . 1 . 1 61 61 ASN H H 1 8.256 0.003 . 1 . . . . . 61 ASN H . 52882 1
202 . 1 . 1 61 61 ASN CA C 13 53.345 0.024 . 1 . . . . . 61 ASN CA . 52882 1
203 . 1 . 1 61 61 ASN CB C 13 35.135 0.046 . 1 . . . . . 61 ASN CB . 52882 1
204 . 1 . 1 61 61 ASN N N 15 118.473 0.014 . 1 . . . . . 61 ASN N . 52882 1
205 . 1 . 1 62 62 GLN H H 1 8.233 0.003 . 1 . . . . . 62 GLN H . 52882 1
206 . 1 . 1 62 62 GLN CA C 13 55.576 0.085 . 1 . . . . . 62 GLN CA . 52882 1
207 . 1 . 1 62 62 GLN CB C 13 25.418 0.016 . 1 . . . . . 62 GLN CB . 52882 1
208 . 1 . 1 62 62 GLN N N 15 116.555 0.015 . 1 . . . . . 62 GLN N . 52882 1
209 . 1 . 1 63 63 THR H H 1 7.497 0.002 . 1 . . . . . 63 THR H . 52882 1
210 . 1 . 1 63 63 THR CA C 13 62.241 0.020 . 1 . . . . . 63 THR CA . 52882 1
211 . 1 . 1 63 63 THR CB C 13 66.727 0.000 . 1 . . . . . 63 THR CB . 52882 1
212 . 1 . 1 63 63 THR N N 15 110.933 0.085 . 1 . . . . . 63 THR N . 52882 1
213 . 1 . 1 64 64 CYS H H 1 8.149 0.003 . 1 . . . . . 64 CYS H . 52882 1
214 . 1 . 1 64 64 CYS CA C 13 56.256 0.032 . 1 . . . . . 64 CYS CA . 52882 1
215 . 1 . 1 64 64 CYS CB C 13 27.098 0.016 . 1 . . . . . 64 CYS CB . 52882 1
216 . 1 . 1 64 64 CYS N N 15 115.436 0.068 . 1 . . . . . 64 CYS N . 52882 1
217 . 1 . 1 65 65 GLY H H 1 7.914 0.005 . 1 . . . . . 65 GLY H . 52882 1
218 . 1 . 1 65 65 GLY CA C 13 42.110 0.004 . 1 . . . . . 65 GLY CA . 52882 1
219 . 1 . 1 65 65 GLY N N 15 107.588 0.016 . 1 . . . . . 65 GLY N . 52882 1
220 . 1 . 1 66 66 ASN H H 1 8.883 0.005 . 1 . . . . . 66 ASN H . 52882 1
221 . 1 . 1 66 66 ASN CA C 13 50.706 0.000 . 1 . . . . . 66 ASN CA . 52882 1
222 . 1 . 1 66 66 ASN CB C 13 35.735 0.019 . 1 . . . . . 66 ASN CB . 52882 1
223 . 1 . 1 66 66 ASN N N 15 119.677 0.034 . 1 . . . . . 66 ASN N . 52882 1
224 . 1 . 1 67 67 ARG H H 1 8.517 0.018 . 1 . . . . . 67 ARG H . 52882 1
225 . 1 . 1 67 67 ARG CA C 13 52.964 0.000 . 1 . . . . . 67 ARG CA . 52882 1
226 . 1 . 1 67 67 ARG CB C 13 27.127 0.000 . 1 . . . . . 67 ARG CB . 52882 1
227 . 1 . 1 67 67 ARG N N 15 121.957 0.030 . 1 . . . . . 67 ARG N . 52882 1
228 . 1 . 1 70 70 LEU CA C 13 52.107 0.000 . 1 . . . . . 70 LEU CA . 52882 1
229 . 1 . 1 70 70 LEU CB C 13 38.824 0.000 . 1 . . . . . 70 LEU CB . 52882 1
230 . 1 . 1 71 71 VAL H H 1 8.023 0.003 . 1 . . . . . 71 VAL H . 52882 1
231 . 1 . 1 71 71 VAL CA C 13 58.883 0.007 . 1 . . . . . 71 VAL CA . 52882 1
232 . 1 . 1 71 71 VAL CB C 13 29.477 0.005 . 1 . . . . . 71 VAL CB . 52882 1
233 . 1 . 1 71 71 VAL N N 15 121.411 0.038 . 1 . . . . . 71 VAL N . 52882 1
234 . 1 . 1 72 72 SER H H 1 8.338 0.005 . 1 . . . . . 72 SER H . 52882 1
235 . 1 . 1 72 72 SER CA C 13 53.172 0.000 . 1 . . . . . 72 SER CA . 52882 1
236 . 1 . 1 72 72 SER CB C 13 60.287 0.000 . 1 . . . . . 72 SER CB . 52882 1
237 . 1 . 1 72 72 SER N N 15 120.719 0.065 . 1 . . . . . 72 SER N . 52882 1
238 . 1 . 1 73 73 PRO CA C 13 60.001 0.000 . 1 . . . . . 73 PRO CA . 52882 1
239 . 1 . 1 73 73 PRO CB C 13 28.769 0.000 . 1 . . . . . 73 PRO CB . 52882 1
240 . 1 . 1 74 74 ILE H H 1 8.158 0.006 . 1 . . . . . 74 ILE H . 52882 1
241 . 1 . 1 74 74 ILE CA C 13 57.948 0.000 . 1 . . . . . 74 ILE CA . 52882 1
242 . 1 . 1 74 74 ILE CB C 13 35.276 0.009 . 1 . . . . . 74 ILE CB . 52882 1
243 . 1 . 1 74 74 ILE N N 15 120.659 0.065 . 1 . . . . . 74 ILE N . 52882 1
244 . 1 . 1 75 75 THR H H 1 8.180 0.003 . 1 . . . . . 75 THR H . 52882 1
245 . 1 . 1 75 75 THR CA C 13 56.764 0.000 . 1 . . . . . 75 THR CA . 52882 1
246 . 1 . 1 75 75 THR CB C 13 66.824 0.000 . 1 . . . . . 75 THR CB . 52882 1
247 . 1 . 1 75 75 THR N N 15 120.997 0.033 . 1 . . . . . 75 THR N . 52882 1
248 . 1 . 1 76 76 PRO CA C 13 60.131 0.024 . 1 . . . . . 76 PRO CA . 52882 1
249 . 1 . 1 76 76 PRO CB C 13 28.525 0.131 . 1 . . . . . 76 PRO CB . 52882 1
250 . 1 . 1 77 77 MET H H 1 8.481 0.004 . 1 . . . . . 77 MET H . 52882 1
251 . 1 . 1 77 77 MET CA C 13 53.117 0.048 . 1 . . . . . 77 MET CA . 52882 1
252 . 1 . 1 77 77 MET CB C 13 27.496 0.013 . 1 . . . . . 77 MET CB . 52882 1
253 . 1 . 1 77 77 MET N N 15 121.489 0.018 . 1 . . . . . 77 MET N . 52882 1
254 . 1 . 1 78 78 GLY H H 1 8.483 0.003 . 1 . . . . . 78 GLY H . 52882 1
255 . 1 . 1 78 78 GLY CA C 13 42.293 0.056 . 1 . . . . . 78 GLY CA . 52882 1
256 . 1 . 1 78 78 GLY N N 15 109.823 0.016 . 1 . . . . . 78 GLY N . 52882 1
257 . 1 . 1 79 79 GLY H H 1 8.284 0.003 . 1 . . . . . 79 GLY H . 52882 1
258 . 1 . 1 79 79 GLY CA C 13 42.292 0.016 . 1 . . . . . 79 GLY CA . 52882 1
259 . 1 . 1 79 79 GLY N N 15 108.637 0.014 . 1 . . . . . 79 GLY N . 52882 1
260 . 1 . 1 80 80 SER H H 1 8.246 0.005 . 1 . . . . . 80 SER H . 52882 1
261 . 1 . 1 80 80 SER CA C 13 55.445 0.084 . 1 . . . . . 80 SER CA . 52882 1
262 . 1 . 1 80 80 SER CB C 13 61.139 0.000 . 1 . . . . . 80 SER CB . 52882 1
263 . 1 . 1 80 80 SER N N 15 115.274 0.015 . 1 . . . . . 80 SER N . 52882 1
264 . 1 . 1 81 81 ALA H H 1 8.454 0.004 . 1 . . . . . 81 ALA H . 52882 1
265 . 1 . 1 81 81 ALA CA C 13 49.808 0.006 . 1 . . . . . 81 ALA CA . 52882 1
266 . 1 . 1 81 81 ALA CB C 13 15.736 0.030 . 1 . . . . . 81 ALA CB . 52882 1
267 . 1 . 1 81 81 ALA N N 15 125.486 0.045 . 1 . . . . . 81 ALA N . 52882 1
268 . 1 . 1 82 82 ASP H H 1 8.147 0.008 . 1 . . . . . 82 ASP H . 52882 1
269 . 1 . 1 82 82 ASP CA C 13 51.600 0.084 . 1 . . . . . 82 ASP CA . 52882 1
270 . 1 . 1 82 82 ASP CB C 13 37.925 0.024 . 1 . . . . . 82 ASP CB . 52882 1
271 . 1 . 1 82 82 ASP N N 15 118.637 0.063 . 1 . . . . . 82 ASP N . 52882 1
272 . 1 . 1 83 83 SER H H 1 8.020 0.007 . 1 . . . . . 83 SER H . 52882 1
273 . 1 . 1 83 83 SER CA C 13 55.246 0.000 . 1 . . . . . 83 SER CA . 52882 1
274 . 1 . 1 83 83 SER CB C 13 60.714 0.023 . 1 . . . . . 83 SER CB . 52882 1
275 . 1 . 1 83 83 SER N N 15 115.059 0.025 . 1 . . . . . 83 SER N . 52882 1
276 . 1 . 1 84 84 TYR H H 1 8.096 0.003 . 1 . . . . . 84 TYR H . 52882 1
277 . 1 . 1 84 84 TYR CA C 13 54.954 0.000 . 1 . . . . . 84 TYR CA . 52882 1
278 . 1 . 1 84 84 TYR CB C 13 35.370 0.024 . 1 . . . . . 84 TYR CB . 52882 1
279 . 1 . 1 84 84 TYR N N 15 122.308 0.063 . 1 . . . . . 84 TYR N . 52882 1
280 . 1 . 1 85 85 ILE H H 1 7.872 0.005 . 1 . . . . . 85 ILE H . 52882 1
281 . 1 . 1 85 85 ILE CA C 13 54.903 0.050 . 1 . . . . . 85 ILE CA . 52882 1
282 . 1 . 1 85 85 ILE CB C 13 35.503 0.000 . 1 . . . . . 85 ILE CB . 52882 1
283 . 1 . 1 85 85 ILE N N 15 125.982 0.044 . 1 . . . . . 85 ILE N . 52882 1
284 . 1 . 1 89 89 VAL CA C 13 59.311 0.048 . 1 . . . . . 89 VAL CA . 52882 1
285 . 1 . 1 89 89 VAL CB C 13 29.500 0.047 . 1 . . . . . 89 VAL CB . 52882 1
286 . 1 . 1 90 90 GLU H H 1 8.450 0.003 . 1 . . . . . 90 GLU H . 52882 1
287 . 1 . 1 90 90 GLU CA C 13 53.500 0.027 . 1 . . . . . 90 GLU CA . 52882 1
288 . 1 . 1 90 90 GLU CB C 13 26.967 0.014 . 1 . . . . . 90 GLU CB . 52882 1
289 . 1 . 1 90 90 GLU N N 15 123.543 0.034 . 1 . . . . . 90 GLU N . 52882 1
290 . 1 . 1 91 91 VAL H H 1 8.059 0.010 . 1 . . . . . 91 VAL H . 52882 1
291 . 1 . 1 91 91 VAL CA C 13 59.040 0.020 . 1 . . . . . 91 VAL CA . 52882 1
292 . 1 . 1 91 91 VAL CB C 13 29.607 0.011 . 1 . . . . . 91 VAL CB . 52882 1
293 . 1 . 1 91 91 VAL N N 15 120.280 0.016 . 1 . . . . . 91 VAL N . 52882 1
294 . 1 . 1 92 92 GLU H H 1 8.412 0.002 . 1 . . . . . 92 GLU H . 52882 1
295 . 1 . 1 92 92 GLU CA C 13 53.346 0.013 . 1 . . . . . 92 GLU CA . 52882 1
296 . 1 . 1 92 92 GLU CB C 13 26.974 0.017 . 1 . . . . . 92 GLU CB . 52882 1
297 . 1 . 1 92 92 GLU N N 15 124.361 0.015 . 1 . . . . . 92 GLU N . 52882 1
298 . 1 . 1 93 93 VAL H H 1 8.185 0.011 . 1 . . . . . 93 VAL H . 52882 1
299 . 1 . 1 93 93 VAL CA C 13 58.911 0.016 . 1 . . . . . 93 VAL CA . 52882 1
300 . 1 . 1 93 93 VAL CB C 13 29.713 0.034 . 1 . . . . . 93 VAL CB . 52882 1
301 . 1 . 1 93 93 VAL N N 15 120.513 0.025 . 1 . . . . . 93 VAL N . 52882 1
302 . 1 . 1 94 94 GLY H H 1 8.384 0.002 . 1 . . . . . 94 GLY H . 52882 1
303 . 1 . 1 94 94 GLY CA C 13 41.994 0.001 . 1 . . . . . 94 GLY CA . 52882 1
304 . 1 . 1 94 94 GLY N N 15 111.537 0.042 . 1 . . . . . 94 GLY N . 52882 1
305 . 1 . 1 95 95 GLY H H 1 8.363 0.003 . 1 . . . . . 95 GLY H . 52882 1
306 . 1 . 1 95 95 GLY CA C 13 42.370 0.014 . 1 . . . . . 95 GLY CA . 52882 1
307 . 1 . 1 95 95 GLY N N 15 109.649 0.017 . 1 . . . . . 95 GLY N . 52882 1
308 . 1 . 1 96 96 ALA H H 1 8.331 0.006 . 1 . . . . . 96 ALA H . 52882 1
309 . 1 . 1 96 96 ALA CA C 13 48.085 0.054 . 1 . . . . . 96 ALA CA . 52882 1
310 . 1 . 1 96 96 ALA CB C 13 19.513 0.037 . 1 . . . . . 96 ALA CB . 52882 1
311 . 1 . 1 96 96 ALA N N 15 121.857 0.036 . 1 . . . . . 96 ALA N . 52882 1
312 . 1 . 1 97 97 THR H H 1 8.636 0.004 . 1 . . . . . 97 THR H . 52882 1
313 . 1 . 1 97 97 THR CA C 13 58.718 0.009 . 1 . . . . . 97 THR CA . 52882 1
314 . 1 . 1 97 97 THR CB C 13 68.074 0.045 . 1 . . . . . 97 THR CB . 52882 1
315 . 1 . 1 97 97 THR N N 15 117.786 0.049 . 1 . . . . . 97 THR N . 52882 1
316 . 1 . 1 98 98 VAL H H 1 8.801 0.006 . 1 . . . . . 98 VAL H . 52882 1
317 . 1 . 1 98 98 VAL CA C 13 57.585 0.000 . 1 . . . . . 98 VAL CA . 52882 1
318 . 1 . 1 98 98 VAL CB C 13 31.765 0.000 . 1 . . . . . 98 VAL CB . 52882 1
319 . 1 . 1 98 98 VAL N N 15 124.383 0.056 . 1 . . . . . 98 VAL N . 52882 1
320 . 1 . 1 99 99 PHE H H 1 9.433 0.012 . 1 . . . . . 99 PHE H . 52882 1
321 . 1 . 1 99 99 PHE CA C 13 53.311 0.005 . 1 . . . . . 99 PHE CA . 52882 1
322 . 1 . 1 99 99 PHE CB C 13 38.392 0.000 . 1 . . . . . 99 PHE CB . 52882 1
323 . 1 . 1 99 99 PHE N N 15 123.961 0.075 . 1 . . . . . 99 PHE N . 52882 1
324 . 1 . 1 101 101 MET H H 1 9.839 0.005 . 1 . . . . . 101 MET H . 52882 1
325 . 1 . 1 101 101 MET CA C 13 50.038 0.000 . 1 . . . . . 101 MET CA . 52882 1
326 . 1 . 1 101 101 MET CB C 13 31.499 0.000 . 1 . . . . . 101 MET CB . 52882 1
327 . 1 . 1 101 101 MET N N 15 127.332 0.058 . 1 . . . . . 101 MET N . 52882 1
328 . 1 . 1 102 102 PRO CA C 13 59.650 0.089 . 1 . . . . . 102 PRO CA . 52882 1
329 . 1 . 1 102 102 PRO CB C 13 29.003 0.000 . 1 . . . . . 102 PRO CB . 52882 1
330 . 1 . 1 103 103 VAL H H 1 7.733 0.008 . 1 . . . . . 103 VAL H . 52882 1
331 . 1 . 1 103 103 VAL CA C 13 58.325 0.021 . 1 . . . . . 103 VAL CA . 52882 1
332 . 1 . 1 103 103 VAL CB C 13 32.022 0.059 . 1 . . . . . 103 VAL CB . 52882 1
333 . 1 . 1 103 103 VAL N N 15 115.698 0.040 . 1 . . . . . 103 VAL N . 52882 1
334 . 1 . 1 104 104 ASP H H 1 9.285 0.005 . 1 . . . . . 104 ASP H . 52882 1
335 . 1 . 1 104 104 ASP CA C 13 54.037 0.025 . 1 . . . . . 104 ASP CA . 52882 1
336 . 1 . 1 104 104 ASP CB C 13 38.456 0.034 . 1 . . . . . 104 ASP CB . 52882 1
337 . 1 . 1 104 104 ASP N N 15 128.603 0.033 . 1 . . . . . 104 ASP N . 52882 1
338 . 1 . 1 105 105 ALA H H 1 7.948 0.002 . 1 . . . . . 105 ALA H . 52882 1
339 . 1 . 1 105 105 ALA CA C 13 48.944 0.059 . 1 . . . . . 105 ALA CA . 52882 1
340 . 1 . 1 105 105 ALA CB C 13 19.052 0.008 . 1 . . . . . 105 ALA CB . 52882 1
341 . 1 . 1 105 105 ALA N N 15 118.367 0.022 . 1 . . . . . 105 ALA N . 52882 1
342 . 1 . 1 106 106 PHE H H 1 8.178 0.005 . 1 . . . . . 106 PHE H . 52882 1
343 . 1 . 1 106 106 PHE CA C 13 52.438 0.007 . 1 . . . . . 106 PHE CA . 52882 1
344 . 1 . 1 106 106 PHE CB C 13 39.962 0.012 . 1 . . . . . 106 PHE CB . 52882 1
345 . 1 . 1 106 106 PHE N N 15 122.680 0.045 . 1 . . . . . 106 PHE N . 52882 1
346 . 1 . 1 107 107 HIS H H 1 8.361 0.004 . 1 . . . . . 107 HIS H . 52882 1
347 . 1 . 1 107 107 HIS CA C 13 51.271 0.019 . 1 . . . . . 107 HIS CA . 52882 1
348 . 1 . 1 107 107 HIS CB C 13 31.531 0.002 . 1 . . . . . 107 HIS CB . 52882 1
349 . 1 . 1 107 107 HIS N N 15 125.044 0.039 . 1 . . . . . 107 HIS N . 52882 1
350 . 1 . 1 108 108 GLN H H 1 7.872 0.010 . 1 . . . . . 108 GLN H . 52882 1
351 . 1 . 1 108 108 GLN CA C 13 51.182 0.070 . 1 . . . . . 108 GLN CA . 52882 1
352 . 1 . 1 108 108 GLN CB C 13 27.944 0.080 . 1 . . . . . 108 GLN CB . 52882 1
353 . 1 . 1 108 108 GLN N N 15 120.722 0.049 . 1 . . . . . 108 GLN N . 52882 1
354 . 1 . 1 109 109 PHE H H 1 8.768 0.004 . 1 . . . . . 109 PHE H . 52882 1
355 . 1 . 1 109 109 PHE CA C 13 54.503 0.000 . 1 . . . . . 109 PHE CA . 52882 1
356 . 1 . 1 109 109 PHE CB C 13 38.044 0.000 . 1 . . . . . 109 PHE CB . 52882 1
357 . 1 . 1 109 109 PHE N N 15 129.775 0.048 . 1 . . . . . 109 PHE N . 52882 1
stop_
save_