Content for NMR-STAR saveframe, assigned_chemical_shifts_2
save_assigned_chemical_shifts_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2
_Assigned_chem_shift_list.Entry_ID 52883
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name 'Assigned Backbone Chemical Shifts of PstA c-di-AMP with 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' . . . 52883 2
2 '3D CBCA(CO)NH' . . . 52883 2
3 '3D HNCA' . . . 52883 2
4 '3D HNCACB' . . . 52883 2
5 '3D HNCO' . . . 52883 2
6 '3D HN(CA)CO' . . . 52883 2
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 . . 52883 2
2 $software_2 . . 52883 2
3 $software_3 . . 52883 2
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 . 2 . 2 21 21 MET H H 1 8.718 0.001 . 1 . . . . . 1 MET H . 52883 2
2 . 2 . 2 21 21 MET C C 13 172.657 0.020 . 1 . . . . . 1 MET C . 52883 2
3 . 2 . 2 21 21 MET CA C 13 51.389 0.099 . 1 . . . . . 1 MET CA . 52883 2
4 . 2 . 2 21 21 MET CB C 13 32.114 0.016 . 1 . . . . . 1 MET CB . 52883 2
5 . 2 . 2 21 21 MET N N 15 119.909 0.047 . 1 . . . . . 1 MET N . 52883 2
6 . 2 . 2 22 22 LYS H H 1 9.042 0.004 . 1 . . . . . 2 LYS H . 52883 2
7 . 2 . 2 22 22 LYS C C 13 172.215 0.016 . 1 . . . . . 2 LYS C . 52883 2
8 . 2 . 2 22 22 LYS CA C 13 49.903 0.049 . 1 . . . . . 2 LYS CA . 52883 2
9 . 2 . 2 22 22 LYS CB C 13 32.490 0.023 . 1 . . . . . 2 LYS CB . 52883 2
10 . 2 . 2 22 22 LYS N N 15 117.158 0.039 . 1 . . . . . 2 LYS N . 52883 2
11 . 2 . 2 23 23 MET H H 1 9.376 0.007 . 1 . . . . . 3 MET H . 52883 2
12 . 2 . 2 23 23 MET C C 13 171.424 0.011 . 1 . . . . . 3 MET C . 52883 2
13 . 2 . 2 23 23 MET CA C 13 49.934 0.000 . 1 . . . . . 3 MET CA . 52883 2
14 . 2 . 2 23 23 MET CB C 13 29.384 0.043 . 1 . . . . . 3 MET CB . 52883 2
15 . 2 . 2 23 23 MET N N 15 120.592 0.056 . 1 . . . . . 3 MET N . 52883 2
16 . 2 . 2 24 24 ILE H H 1 9.210 0.010 . 1 . . . . . 4 ILE H . 52883 2
17 . 2 . 2 24 24 ILE C C 13 173.051 0.000 . 1 . . . . . 4 ILE C . 52883 2
18 . 2 . 2 24 24 ILE CA C 13 55.199 0.040 . 1 . . . . . 4 ILE CA . 52883 2
19 . 2 . 2 24 24 ILE CB C 13 33.821 0.047 . 1 . . . . . 4 ILE CB . 52883 2
20 . 2 . 2 24 24 ILE N N 15 130.586 0.049 . 1 . . . . . 4 ILE N . 52883 2
21 . 2 . 2 25 25 ILE H H 1 8.918 0.007 . 1 . . . . . 5 ILE H . 52883 2
22 . 2 . 2 25 25 ILE C C 13 172.726 0.000 . 1 . . . . . 5 ILE C . 52883 2
23 . 2 . 2 25 25 ILE CA C 13 57.431 0.018 . 1 . . . . . 5 ILE CA . 52883 2
24 . 2 . 2 25 25 ILE CB C 13 35.872 0.070 . 1 . . . . . 5 ILE CB . 52883 2
25 . 2 . 2 25 25 ILE N N 15 126.364 0.067 . 1 . . . . . 5 ILE N . 52883 2
26 . 2 . 2 26 26 ALA H H 1 9.318 0.006 . 1 . . . . . 6 ALA H . 52883 2
27 . 2 . 2 26 26 ALA C C 13 172.383 0.000 . 1 . . . . . 6 ALA C . 52883 2
28 . 2 . 2 26 26 ALA CA C 13 46.476 0.152 . 1 . . . . . 6 ALA CA . 52883 2
29 . 2 . 2 26 26 ALA CB C 13 17.656 0.004 . 1 . . . . . 6 ALA CB . 52883 2
30 . 2 . 2 26 26 ALA N N 15 128.528 0.034 . 1 . . . . . 6 ALA N . 52883 2
31 . 2 . 2 27 27 ILE H H 1 9.491 0.005 . 1 . . . . . 7 ILE H . 52883 2
32 . 2 . 2 27 27 ILE C C 13 174.656 0.000 . 1 . . . . . 7 ILE C . 52883 2
33 . 2 . 2 27 27 ILE CA C 13 59.362 0.068 . 1 . . . . . 7 ILE CA . 52883 2
34 . 2 . 2 27 27 ILE CB C 13 35.858 0.009 . 1 . . . . . 7 ILE CB . 52883 2
35 . 2 . 2 27 27 ILE N N 15 125.602 0.034 . 1 . . . . . 7 ILE N . 52883 2
36 . 2 . 2 28 28 VAL H H 1 9.559 0.004 . 1 . . . . . 8 VAL H . 52883 2
37 . 2 . 2 28 28 VAL C C 13 172.314 0.020 . 1 . . . . . 8 VAL C . 52883 2
38 . 2 . 2 28 28 VAL CA C 13 55.893 0.071 . 1 . . . . . 8 VAL CA . 52883 2
39 . 2 . 2 28 28 VAL CB C 13 31.544 0.023 . 1 . . . . . 8 VAL CB . 52883 2
40 . 2 . 2 28 28 VAL N N 15 122.329 0.017 . 1 . . . . . 8 VAL N . 52883 2
41 . 2 . 2 29 29 GLN H H 1 9.866 0.002 . 1 . . . . . 9 GLN H . 52883 2
42 . 2 . 2 29 29 GLN C C 13 176.897 0.024 . 1 . . . . . 9 GLN C . 52883 2
43 . 2 . 2 29 29 GLN CA C 13 52.303 0.149 . 1 . . . . . 9 GLN CA . 52883 2
44 . 2 . 2 29 29 GLN CB C 13 25.435 0.015 . 1 . . . . . 9 GLN CB . 52883 2
45 . 2 . 2 29 29 GLN N N 15 118.662 0.049 . 1 . . . . . 9 GLN N . 52883 2
46 . 2 . 2 30 30 ASP H H 1 9.508 0.005 . 1 . . . . . 10 ASP H . 52883 2
47 . 2 . 2 30 30 ASP C C 13 178.425 0.052 . 1 . . . . . 10 ASP C . 52883 2
48 . 2 . 2 30 30 ASP CA C 13 55.329 0.128 . 1 . . . . . 10 ASP CA . 52883 2
49 . 2 . 2 30 30 ASP CB C 13 36.282 0.099 . 1 . . . . . 10 ASP CB . 52883 2
50 . 2 . 2 30 30 ASP N N 15 124.211 0.032 . 1 . . . . . 10 ASP N . 52883 2
51 . 2 . 2 31 31 GLN H H 1 9.116 0.002 . 1 . . . . . 11 GLN H . 52883 2
52 . 2 . 2 31 31 GLN C C 13 173.899 0.000 . 1 . . . . . 11 GLN C . 52883 2
53 . 2 . 2 31 31 GLN CA C 13 55.420 0.019 . 1 . . . . . 11 GLN CA . 52883 2
54 . 2 . 2 31 31 GLN CB C 13 24.230 0.014 . 1 . . . . . 11 GLN CB . 52883 2
55 . 2 . 2 31 31 GLN N N 15 117.085 0.038 . 1 . . . . . 11 GLN N . 52883 2
56 . 2 . 2 32 32 ASP H H 1 7.551 0.004 . 1 . . . . . 12 ASP H . 52883 2
57 . 2 . 2 32 32 ASP C C 13 174.492 0.000 . 1 . . . . . 12 ASP C . 52883 2
58 . 2 . 2 32 32 ASP CA C 13 52.091 0.092 . 1 . . . . . 12 ASP CA . 52883 2
59 . 2 . 2 32 32 ASP CB C 13 39.952 0.053 . 1 . . . . . 12 ASP CB . 52883 2
60 . 2 . 2 32 32 ASP N N 15 117.935 0.028 . 1 . . . . . 12 ASP N . 52883 2
61 . 2 . 2 33 33 SER H H 1 7.742 0.010 . 1 . . . . . 13 SER H . 52883 2
62 . 2 . 2 33 33 SER CA C 13 59.830 0.089 . 1 . . . . . 13 SER CA . 52883 2
63 . 2 . 2 33 33 SER CB C 13 60.947 0.000 . 1 . . . . . 13 SER CB . 52883 2
64 . 2 . 2 33 33 SER N N 15 115.054 0.045 . 1 . . . . . 13 SER N . 52883 2
65 . 2 . 2 34 34 GLN C C 13 175.358 0.000 . 1 . . . . . 14 GLN C . 52883 2
66 . 2 . 2 34 34 GLN CA C 13 53.400 0.175 . 1 . . . . . 14 GLN CA . 52883 2
67 . 2 . 2 34 34 GLN CB C 13 24.695 0.000 . 1 . . . . . 14 GLN CB . 52883 2
68 . 2 . 2 35 35 GLU H H 1 8.377 0.003 . 1 . . . . . 15 GLU H . 52883 2
69 . 2 . 2 35 35 GLU C C 13 177.103 0.047 . 1 . . . . . 15 GLU C . 52883 2
70 . 2 . 2 35 35 GLU CA C 13 55.916 0.046 . 1 . . . . . 15 GLU CA . 52883 2
71 . 2 . 2 35 35 GLU CB C 13 25.290 0.015 . 1 . . . . . 15 GLU CB . 52883 2
72 . 2 . 2 35 35 GLU N N 15 120.171 0.042 . 1 . . . . . 15 GLU N . 52883 2
73 . 2 . 2 36 36 LEU H H 1 8.166 0.002 . 1 . . . . . 16 LEU H . 52883 2
74 . 2 . 2 36 36 LEU C C 13 175.560 0.000 . 1 . . . . . 16 LEU C . 52883 2
75 . 2 . 2 36 36 LEU CA C 13 55.129 0.117 . 1 . . . . . 16 LEU CA . 52883 2
76 . 2 . 2 36 36 LEU CB C 13 35.960 0.002 . 1 . . . . . 16 LEU CB . 52883 2
77 . 2 . 2 36 36 LEU N N 15 117.075 0.072 . 1 . . . . . 16 LEU N . 52883 2
78 . 2 . 2 37 37 ALA H H 1 8.296 0.002 . 1 . . . . . 17 ALA H . 52883 2
79 . 2 . 2 37 37 ALA C C 13 177.622 0.035 . 1 . . . . . 17 ALA C . 52883 2
80 . 2 . 2 37 37 ALA CA C 13 52.968 0.097 . 1 . . . . . 17 ALA CA . 52883 2
81 . 2 . 2 37 37 ALA CB C 13 13.890 0.009 . 1 . . . . . 17 ALA CB . 52883 2
82 . 2 . 2 37 37 ALA N N 15 120.257 0.020 . 1 . . . . . 17 ALA N . 52883 2
83 . 2 . 2 38 38 ASP H H 1 8.359 0.004 . 1 . . . . . 18 ASP H . 52883 2
84 . 2 . 2 38 38 ASP C C 13 177.300 0.056 . 1 . . . . . 18 ASP C . 52883 2
85 . 2 . 2 38 38 ASP CA C 13 54.603 0.023 . 1 . . . . . 18 ASP CA . 52883 2
86 . 2 . 2 38 38 ASP CB C 13 37.216 0.029 . 1 . . . . . 18 ASP CB . 52883 2
87 . 2 . 2 38 38 ASP N N 15 117.118 0.053 . 1 . . . . . 18 ASP N . 52883 2
88 . 2 . 2 39 39 GLN H H 1 8.491 0.002 . 1 . . . . . 19 GLN H . 52883 2
89 . 2 . 2 39 39 GLN C C 13 177.998 0.051 . 1 . . . . . 19 GLN C . 52883 2
90 . 2 . 2 39 39 GLN CA C 13 55.205 0.060 . 1 . . . . . 19 GLN CA . 52883 2
91 . 2 . 2 39 39 GLN CB C 13 24.667 0.075 . 1 . . . . . 19 GLN CB . 52883 2
92 . 2 . 2 39 39 GLN N N 15 119.292 0.045 . 1 . . . . . 19 GLN N . 52883 2
93 . 2 . 2 40 40 LEU H H 1 9.006 0.003 . 1 . . . . . 20 LEU H . 52883 2
94 . 2 . 2 40 40 LEU C C 13 172.589 0.002 . 1 . . . . . 20 LEU C . 52883 2
95 . 2 . 2 40 40 LEU CA C 13 55.953 0.047 . 1 . . . . . 20 LEU CA . 52883 2
96 . 2 . 2 40 40 LEU CB C 13 36.450 0.104 . 1 . . . . . 20 LEU CB . 52883 2
97 . 2 . 2 40 40 LEU N N 15 121.907 0.042 . 1 . . . . . 20 LEU N . 52883 2
98 . 2 . 2 41 41 VAL H H 1 8.004 0.004 . 1 . . . . . 21 VAL H . 52883 2
99 . 2 . 2 41 41 VAL C C 13 179.214 0.000 . 1 . . . . . 21 VAL C . 52883 2
100 . 2 . 2 41 41 VAL CA C 13 63.695 0.033 . 1 . . . . . 21 VAL CA . 52883 2
101 . 2 . 2 41 41 VAL CB C 13 28.374 0.000 . 1 . . . . . 21 VAL CB . 52883 2
102 . 2 . 2 41 41 VAL N N 15 118.453 0.158 . 1 . . . . . 21 VAL N . 52883 2
103 . 2 . 2 42 42 LYS H H 1 8.338 0.009 . 1 . . . . . 22 LYS H . 52883 2
104 . 2 . 2 42 42 LYS C C 13 175.174 0.011 . 1 . . . . . 22 LYS C . 52883 2
105 . 2 . 2 42 42 LYS CA C 13 56.194 0.085 . 1 . . . . . 22 LYS CA . 52883 2
106 . 2 . 2 42 42 LYS CB C 13 28.708 0.076 . 1 . . . . . 22 LYS CB . 52883 2
107 . 2 . 2 42 42 LYS N N 15 120.694 0.043 . 1 . . . . . 22 LYS N . 52883 2
108 . 2 . 2 43 43 ASN H H 1 7.469 0.003 . 1 . . . . . 23 ASN H . 52883 2
109 . 2 . 2 43 43 ASN C C 13 169.980 0.000 . 1 . . . . . 23 ASN C . 52883 2
110 . 2 . 2 43 43 ASN CA C 13 50.919 0.127 . 1 . . . . . 23 ASN CA . 52883 2
111 . 2 . 2 43 43 ASN CB C 13 36.818 0.062 . 1 . . . . . 23 ASN CB . 52883 2
112 . 2 . 2 43 43 ASN N N 15 114.362 0.035 . 1 . . . . . 23 ASN N . 52883 2
113 . 2 . 2 44 44 ASN H H 1 8.182 0.006 . 1 . . . . . 24 ASN H . 52883 2
114 . 2 . 2 44 44 ASN C C 13 172.267 0.069 . 1 . . . . . 24 ASN C . 52883 2
115 . 2 . 2 44 44 ASN CA C 13 51.518 0.040 . 1 . . . . . 24 ASN CA . 52883 2
116 . 2 . 2 44 44 ASN CB C 13 33.399 0.091 . 1 . . . . . 24 ASN CB . 52883 2
117 . 2 . 2 44 44 ASN N N 15 113.642 0.025 . 1 . . . . . 24 ASN N . 52883 2
118 . 2 . 2 45 45 PHE H H 1 8.516 0.003 . 1 . . . . . 25 PHE H . 52883 2
119 . 2 . 2 45 45 PHE C C 13 172.401 0.007 . 1 . . . . . 25 PHE C . 52883 2
120 . 2 . 2 45 45 PHE CA C 13 55.240 0.095 . 1 . . . . . 25 PHE CA . 52883 2
121 . 2 . 2 45 45 PHE CB C 13 37.353 0.035 . 1 . . . . . 25 PHE CB . 52883 2
122 . 2 . 2 45 45 PHE N N 15 117.149 0.078 . 1 . . . . . 25 PHE N . 52883 2
123 . 2 . 2 46 46 ARG H H 1 8.375 0.003 . 1 . . . . . 26 ARG H . 52883 2
124 . 2 . 2 46 46 ARG C C 13 172.444 0.000 . 1 . . . . . 26 ARG C . 52883 2
125 . 2 . 2 46 46 ARG CA C 13 50.947 0.095 . 1 . . . . . 26 ARG CA . 52883 2
126 . 2 . 2 46 46 ARG CB C 13 27.899 0.041 . 1 . . . . . 26 ARG CB . 52883 2
127 . 2 . 2 46 46 ARG N N 15 120.698 0.044 . 1 . . . . . 26 ARG N . 52883 2
128 . 2 . 2 47 47 ALA H H 1 8.769 0.009 . 1 . . . . . 27 ALA H . 52883 2
129 . 2 . 2 47 47 ALA C C 13 173.715 0.084 . 1 . . . . . 27 ALA C . 52883 2
130 . 2 . 2 47 47 ALA CA C 13 48.487 0.068 . 1 . . . . . 27 ALA CA . 52883 2
131 . 2 . 2 47 47 ALA CB C 13 21.364 0.015 . 1 . . . . . 27 ALA CB . 52883 2
132 . 2 . 2 47 47 ALA N N 15 118.367 0.038 . 1 . . . . . 27 ALA N . 52883 2
133 . 2 . 2 48 48 THR H H 1 9.100 0.004 . 1 . . . . . 28 THR H . 52883 2
134 . 2 . 2 48 48 THR C C 13 169.529 0.000 . 1 . . . . . 28 THR C . 52883 2
135 . 2 . 2 48 48 THR CA C 13 60.844 0.138 . 1 . . . . . 28 THR CA . 52883 2
136 . 2 . 2 48 48 THR CB C 13 69.863 0.021 . 1 . . . . . 28 THR CB . 52883 2
137 . 2 . 2 48 48 THR N N 15 116.967 0.057 . 1 . . . . . 28 THR N . 52883 2
138 . 2 . 2 49 49 LYS H H 1 9.610 0.005 . 1 . . . . . 29 LYS H . 52883 2
139 . 2 . 2 49 49 LYS C C 13 172.384 0.006 . 1 . . . . . 29 LYS C . 52883 2
140 . 2 . 2 49 49 LYS CA C 13 52.477 0.051 . 1 . . . . . 29 LYS CA . 52883 2
141 . 2 . 2 49 49 LYS CB C 13 31.334 0.000 . 1 . . . . . 29 LYS CB . 52883 2
142 . 2 . 2 49 49 LYS N N 15 126.358 0.024 . 1 . . . . . 29 LYS N . 52883 2
143 . 2 . 2 50 50 LEU H H 1 9.354 0.006 . 1 . . . . . 30 LEU H . 52883 2
144 . 2 . 2 50 50 LEU C C 13 172.624 0.017 . 1 . . . . . 30 LEU C . 52883 2
145 . 2 . 2 50 50 LEU CA C 13 51.435 0.009 . 1 . . . . . 30 LEU CA . 52883 2
146 . 2 . 2 50 50 LEU CB C 13 40.186 0.003 . 1 . . . . . 30 LEU CB . 52883 2
147 . 2 . 2 50 50 LEU N N 15 124.323 0.018 . 1 . . . . . 30 LEU N . 52883 2
148 . 2 . 2 51 51 ALA H H 1 8.669 0.001 . 1 . . . . . 31 ALA H . 52883 2
149 . 2 . 2 51 51 ALA C C 13 174.604 0.027 . 1 . . . . . 31 ALA C . 52883 2
150 . 2 . 2 51 51 ALA CA C 13 49.240 0.087 . 1 . . . . . 31 ALA CA . 52883 2
151 . 2 . 2 51 51 ALA CB C 13 14.973 0.002 . 1 . . . . . 31 ALA CB . 52883 2
152 . 2 . 2 51 51 ALA N N 15 125.880 0.045 . 1 . . . . . 31 ALA N . 52883 2
153 . 2 . 2 52 52 THR H H 1 8.458 0.007 . 1 . . . . . 32 THR H . 52883 2
154 . 2 . 2 52 52 THR C C 13 172.685 0.005 . 1 . . . . . 32 THR C . 52883 2
155 . 2 . 2 52 52 THR CA C 13 57.476 0.047 . 1 . . . . . 32 THR CA . 52883 2
156 . 2 . 2 52 52 THR CB C 13 69.317 0.003 . 1 . . . . . 32 THR CB . 52883 2
157 . 2 . 2 52 52 THR N N 15 116.037 0.021 . 1 . . . . . 32 THR N . 52883 2
158 . 2 . 2 53 53 THR H H 1 8.758 0.004 . 1 . . . . . 33 THR H . 52883 2
159 . 2 . 2 53 53 THR C C 13 172.250 0.014 . 1 . . . . . 33 THR C . 52883 2
160 . 2 . 2 53 53 THR CA C 13 58.151 0.042 . 1 . . . . . 33 THR CA . 52883 2
161 . 2 . 2 53 53 THR CB C 13 70.012 0.103 . 1 . . . . . 33 THR CB . 52883 2
162 . 2 . 2 53 53 THR N N 15 112.888 0.071 . 1 . . . . . 33 THR N . 52883 2
163 . 2 . 2 54 54 GLY H H 1 8.563 0.006 . 1 . . . . . 34 GLY H . 52883 2
164 . 2 . 2 54 54 GLY C C 13 174.156 0.001 . 1 . . . . . 34 GLY C . 52883 2
165 . 2 . 2 54 54 GLY CA C 13 43.239 0.102 . 1 . . . . . 34 GLY CA . 52883 2
166 . 2 . 2 54 54 GLY N N 15 111.132 0.045 . 1 . . . . . 34 GLY N . 52883 2
167 . 2 . 2 55 55 GLY H H 1 8.804 0.005 . 1 . . . . . 35 GLY H . 52883 2
168 . 2 . 2 55 55 GLY C C 13 171.787 0.011 . 1 . . . . . 35 GLY C . 52883 2
169 . 2 . 2 55 55 GLY CA C 13 43.985 0.132 . 1 . . . . . 35 GLY CA . 52883 2
170 . 2 . 2 55 55 GLY N N 15 113.608 0.077 . 1 . . . . . 35 GLY N . 52883 2
171 . 2 . 2 56 56 PHE H H 1 9.749 0.003 . 1 . . . . . 36 PHE H . 52883 2
172 . 2 . 2 56 56 PHE C C 13 175.093 0.000 . 1 . . . . . 36 PHE C . 52883 2
173 . 2 . 2 56 56 PHE CA C 13 57.864 0.125 . 1 . . . . . 36 PHE CA . 52883 2
174 . 2 . 2 56 56 PHE CB C 13 37.836 0.004 . 1 . . . . . 36 PHE CB . 52883 2
175 . 2 . 2 56 56 PHE N N 15 121.432 0.012 . 1 . . . . . 36 PHE N . 52883 2
176 . 2 . 2 57 57 LEU H H 1 8.860 0.006 . 1 . . . . . 37 LEU H . 52883 2
177 . 2 . 2 57 57 LEU C C 13 175.805 0.000 . 1 . . . . . 37 LEU C . 52883 2
178 . 2 . 2 57 57 LEU CA C 13 52.255 0.171 . 1 . . . . . 37 LEU CA . 52883 2
179 . 2 . 2 57 57 LEU CB C 13 37.847 0.005 . 1 . . . . . 37 LEU CB . 52883 2
180 . 2 . 2 57 57 LEU N N 15 116.444 0.062 . 1 . . . . . 37 LEU N . 52883 2
181 . 2 . 2 58 58 ARG H H 1 7.384 0.008 . 1 . . . . . 38 ARG H . 52883 2
182 . 2 . 2 58 58 ARG C C 13 172.483 0.138 . 1 . . . . . 38 ARG C . 52883 2
183 . 2 . 2 58 58 ARG CA C 13 53.215 0.215 . 1 . . . . . 38 ARG CA . 52883 2
184 . 2 . 2 58 58 ARG CB C 13 22.676 0.011 . 1 . . . . . 38 ARG CB . 52883 2
185 . 2 . 2 58 58 ARG N N 15 112.084 0.045 . 1 . . . . . 38 ARG N . 52883 2
186 . 2 . 2 59 59 ALA H H 1 7.862 0.010 . 1 . . . . . 39 ALA H . 52883 2
187 . 2 . 2 59 59 ALA C C 13 174.985 0.021 . 1 . . . . . 39 ALA C . 52883 2
188 . 2 . 2 59 59 ALA CA C 13 46.949 0.012 . 1 . . . . . 39 ALA CA . 52883 2
189 . 2 . 2 59 59 ALA CB C 13 17.780 0.002 . 1 . . . . . 39 ALA CB . 52883 2
190 . 2 . 2 59 59 ALA N N 15 120.830 0.099 . 1 . . . . . 39 ALA N . 52883 2
191 . 2 . 2 60 60 GLY H H 1 8.551 0.005 . 1 . . . . . 40 GLY H . 52883 2
192 . 2 . 2 60 60 GLY C C 13 171.782 0.008 . 1 . . . . . 40 GLY C . 52883 2
193 . 2 . 2 60 60 GLY CA C 13 43.004 0.051 . 1 . . . . . 40 GLY CA . 52883 2
194 . 2 . 2 60 60 GLY N N 15 107.103 0.064 . 1 . . . . . 40 GLY N . 52883 2
195 . 2 . 2 61 61 ASN H H 1 9.139 0.005 . 1 . . . . . 41 ASN H . 52883 2
196 . 2 . 2 61 61 ASN C C 13 171.618 0.027 . 1 . . . . . 41 ASN C . 52883 2
197 . 2 . 2 61 61 ASN CA C 13 49.713 0.055 . 1 . . . . . 41 ASN CA . 52883 2
198 . 2 . 2 61 61 ASN CB C 13 34.745 0.026 . 1 . . . . . 41 ASN CB . 52883 2
199 . 2 . 2 61 61 ASN N N 15 124.428 0.014 . 1 . . . . . 41 ASN N . 52883 2
200 . 2 . 2 62 62 THR H H 1 8.731 0.007 . 1 . . . . . 42 THR H . 52883 2
201 . 2 . 2 62 62 THR C C 13 169.745 0.062 . 1 . . . . . 42 THR C . 52883 2
202 . 2 . 2 62 62 THR CA C 13 60.031 0.056 . 1 . . . . . 42 THR CA . 52883 2
203 . 2 . 2 62 62 THR CB C 13 69.358 0.017 . 1 . . . . . 42 THR CB . 52883 2
204 . 2 . 2 62 62 THR N N 15 113.634 0.041 . 1 . . . . . 42 THR N . 52883 2
205 . 2 . 2 63 63 THR H H 1 8.673 0.006 . 1 . . . . . 43 THR H . 52883 2
206 . 2 . 2 63 63 THR C C 13 171.132 0.035 . 1 . . . . . 43 THR C . 52883 2
207 . 2 . 2 63 63 THR CA C 13 59.266 0.071 . 1 . . . . . 43 THR CA . 52883 2
208 . 2 . 2 63 63 THR CB C 13 66.813 0.048 . 1 . . . . . 43 THR CB . 52883 2
209 . 2 . 2 63 63 THR N N 15 123.136 0.027 . 1 . . . . . 43 THR N . 52883 2
210 . 2 . 2 64 64 PHE H H 1 9.955 0.004 . 1 . . . . . 44 PHE H . 52883 2
211 . 2 . 2 64 64 PHE C C 13 172.178 0.000 . 1 . . . . . 44 PHE C . 52883 2
212 . 2 . 2 64 64 PHE CA C 13 54.052 0.034 . 1 . . . . . 44 PHE CA . 52883 2
213 . 2 . 2 64 64 PHE CB C 13 38.357 0.143 . 1 . . . . . 44 PHE CB . 52883 2
214 . 2 . 2 64 64 PHE N N 15 125.127 0.045 . 1 . . . . . 44 PHE N . 52883 2
215 . 2 . 2 65 65 LEU H H 1 9.355 0.004 . 1 . . . . . 45 LEU H . 52883 2
216 . 2 . 2 65 65 LEU C C 13 175.118 0.048 . 1 . . . . . 45 LEU C . 52883 2
217 . 2 . 2 65 65 LEU CA C 13 51.110 0.134 . 1 . . . . . 45 LEU CA . 52883 2
218 . 2 . 2 65 65 LEU CB C 13 39.366 0.022 . 1 . . . . . 45 LEU CB . 52883 2
219 . 2 . 2 65 65 LEU N N 15 121.028 0.034 . 1 . . . . . 45 LEU N . 52883 2
220 . 2 . 2 66 66 CYS H H 1 9.478 0.004 . 1 . . . . . 46 CYS H . 52883 2
221 . 2 . 2 66 66 CYS C C 13 172.035 0.006 . 1 . . . . . 46 CYS C . 52883 2
222 . 2 . 2 66 66 CYS CA C 13 53.791 0.084 . 1 . . . . . 46 CYS CA . 52883 2
223 . 2 . 2 66 66 CYS CB C 13 27.130 0.000 . 1 . . . . . 46 CYS CB . 52883 2
224 . 2 . 2 66 66 CYS N N 15 122.337 0.024 . 1 . . . . . 46 CYS N . 52883 2
225 . 2 . 2 67 67 GLY H H 1 11.247 0.009 . 1 . . . . . 47 GLY H . 52883 2
226 . 2 . 2 67 67 GLY C C 13 172.120 0.000 . 1 . . . . . 47 GLY C . 52883 2
227 . 2 . 2 67 67 GLY CA C 13 42.071 0.130 . 1 . . . . . 47 GLY CA . 52883 2
228 . 2 . 2 67 67 GLY N N 15 119.237 0.035 . 1 . . . . . 47 GLY N . 52883 2
229 . 2 . 2 68 68 VAL H H 1 9.438 0.005 . 1 . . . . . 48 VAL H . 52883 2
230 . 2 . 2 68 68 VAL C C 13 171.157 0.000 . 1 . . . . . 48 VAL C . 52883 2
231 . 2 . 2 68 68 VAL CA C 13 56.271 0.079 . 1 . . . . . 48 VAL CA . 52883 2
232 . 2 . 2 68 68 VAL CB C 13 32.741 0.046 . 1 . . . . . 48 VAL CB . 52883 2
233 . 2 . 2 68 68 VAL N N 15 125.065 0.036 . 1 . . . . . 48 VAL N . 52883 2
234 . 2 . 2 69 69 ASN H H 1 8.592 0.004 . 1 . . . . . 49 ASN H . 52883 2
235 . 2 . 2 69 69 ASN C C 13 175.213 0.001 . 1 . . . . . 49 ASN C . 52883 2
236 . 2 . 2 69 69 ASN CA C 13 51.421 0.044 . 1 . . . . . 49 ASN CA . 52883 2
237 . 2 . 2 69 69 ASN CB C 13 35.836 0.014 . 1 . . . . . 49 ASN CB . 52883 2
238 . 2 . 2 69 69 ASN N N 15 123.497 0.030 . 1 . . . . . 49 ASN N . 52883 2
239 . 2 . 2 70 70 ASP H H 1 8.905 0.002 . 1 . . . . . 50 ASP H . 52883 2
240 . 2 . 2 70 70 ASP C C 13 174.904 0.043 . 1 . . . . . 50 ASP C . 52883 2
241 . 2 . 2 70 70 ASP CA C 13 54.062 0.065 . 1 . . . . . 50 ASP CA . 52883 2
242 . 2 . 2 70 70 ASP CB C 13 36.584 0.022 . 1 . . . . . 50 ASP CB . 52883 2
243 . 2 . 2 70 70 ASP N N 15 122.268 0.019 . 1 . . . . . 50 ASP N . 52883 2
244 . 2 . 2 71 71 ASP H H 1 8.553 0.006 . 1 . . . . . 51 ASP H . 52883 2
245 . 2 . 2 71 71 ASP C C 13 174.944 0.000 . 1 . . . . . 51 ASP C . 52883 2
246 . 2 . 2 71 71 ASP CA C 13 51.732 0.128 . 1 . . . . . 51 ASP CA . 52883 2
247 . 2 . 2 71 71 ASP CB C 13 36.594 0.012 . 1 . . . . . 51 ASP CB . 52883 2
248 . 2 . 2 71 71 ASP N N 15 117.367 0.031 . 1 . . . . . 51 ASP N . 52883 2
249 . 2 . 2 72 72 ARG H H 1 8.360 0.004 . 1 . . . . . 52 ARG H . 52883 2
250 . 2 . 2 72 72 ARG C C 13 173.876 0.021 . 1 . . . . . 52 ARG C . 52883 2
251 . 2 . 2 72 72 ARG CA C 13 53.313 0.091 . 1 . . . . . 52 ARG CA . 52883 2
252 . 2 . 2 72 72 ARG CB C 13 28.251 0.083 . 1 . . . . . 52 ARG CB . 52883 2
253 . 2 . 2 72 72 ARG N N 15 117.261 0.024 . 1 . . . . . 52 ARG N . 52883 2
254 . 2 . 2 73 73 VAL H H 1 7.371 0.008 . 1 . . . . . 53 VAL H . 52883 2
255 . 2 . 2 73 73 VAL C C 13 174.776 0.023 . 1 . . . . . 53 VAL C . 52883 2
256 . 2 . 2 73 73 VAL CA C 13 63.837 0.071 . 1 . . . . . 53 VAL CA . 52883 2
257 . 2 . 2 73 73 VAL CB C 13 27.854 0.012 . 1 . . . . . 53 VAL CB . 52883 2
258 . 2 . 2 73 73 VAL N N 15 122.002 0.027 . 1 . . . . . 53 VAL N . 52883 2
259 . 2 . 2 74 74 ASP H H 1 8.496 0.003 . 1 . . . . . 54 ASP H . 52883 2
260 . 2 . 2 74 74 ASP C C 13 176.992 0.000 . 1 . . . . . 54 ASP C . 52883 2
261 . 2 . 2 74 74 ASP CA C 13 55.122 0.116 . 1 . . . . . 54 ASP CA . 52883 2
262 . 2 . 2 74 74 ASP CB C 13 35.993 0.000 . 1 . . . . . 54 ASP CB . 52883 2
263 . 2 . 2 74 74 ASP N N 15 118.373 0.050 . 1 . . . . . 54 ASP N . 52883 2
264 . 2 . 2 75 75 GLU H H 1 7.741 0.003 . 1 . . . . . 55 GLU H . 52883 2
265 . 2 . 2 75 75 GLU C C 13 176.694 0.000 . 1 . . . . . 55 GLU C . 52883 2
266 . 2 . 2 75 75 GLU CA C 13 56.452 0.167 . 1 . . . . . 55 GLU CA . 52883 2
267 . 2 . 2 75 75 GLU CB C 13 26.117 0.028 . 1 . . . . . 55 GLU CB . 52883 2
268 . 2 . 2 75 75 GLU N N 15 120.683 0.045 . 1 . . . . . 55 GLU N . 52883 2
269 . 2 . 2 76 76 ILE H H 1 8.284 0.002 . 1 . . . . . 56 ILE H . 52883 2
270 . 2 . 2 76 76 ILE CA C 13 62.337 0.014 . 1 . . . . . 56 ILE CA . 52883 2
271 . 2 . 2 76 76 ILE CB C 13 31.971 0.063 . 1 . . . . . 56 ILE CB . 52883 2
272 . 2 . 2 76 76 ILE N N 15 120.555 0.028 . 1 . . . . . 56 ILE N . 52883 2
273 . 2 . 2 77 77 LEU H H 1 8.058 0.004 . 1 . . . . . 57 LEU H . 52883 2
274 . 2 . 2 77 77 LEU C C 13 176.430 0.014 . 1 . . . . . 57 LEU C . 52883 2
275 . 2 . 2 77 77 LEU CA C 13 55.274 0.096 . 1 . . . . . 57 LEU CA . 52883 2
276 . 2 . 2 77 77 LEU CB C 13 36.681 0.062 . 1 . . . . . 57 LEU CB . 52883 2
277 . 2 . 2 77 77 LEU N N 15 122.387 0.115 . 1 . . . . . 57 LEU N . 52883 2
278 . 2 . 2 78 78 SER H H 1 7.699 0.005 . 1 . . . . . 58 SER H . 52883 2
279 . 2 . 2 78 78 SER C C 13 174.664 0.000 . 1 . . . . . 58 SER C . 52883 2
280 . 2 . 2 78 78 SER CA C 13 58.439 0.135 . 1 . . . . . 58 SER CA . 52883 2
281 . 2 . 2 78 78 SER CB C 13 59.595 0.056 . 1 . . . . . 58 SER CB . 52883 2
282 . 2 . 2 78 78 SER N N 15 113.588 0.033 . 1 . . . . . 58 SER N . 52883 2
283 . 2 . 2 79 79 VAL H H 1 7.699 0.009 . 1 . . . . . 59 VAL H . 52883 2
284 . 2 . 2 79 79 VAL C C 13 177.030 0.036 . 1 . . . . . 59 VAL C . 52883 2
285 . 2 . 2 79 79 VAL CA C 13 63.432 0.044 . 1 . . . . . 59 VAL CA . 52883 2
286 . 2 . 2 79 79 VAL CB C 13 27.870 0.012 . 1 . . . . . 59 VAL CB . 52883 2
287 . 2 . 2 79 79 VAL N N 15 122.290 0.033 . 1 . . . . . 59 VAL N . 52883 2
288 . 2 . 2 80 80 ILE H H 1 8.173 0.007 . 1 . . . . . 60 ILE H . 52883 2
289 . 2 . 2 80 80 ILE C C 13 175.276 0.233 . 1 . . . . . 60 ILE C . 52883 2
290 . 2 . 2 80 80 ILE CA C 13 63.091 0.134 . 1 . . . . . 60 ILE CA . 52883 2
291 . 2 . 2 80 80 ILE CB C 13 34.090 0.000 . 1 . . . . . 60 ILE CB . 52883 2
292 . 2 . 2 80 80 ILE N N 15 121.182 0.120 . 1 . . . . . 60 ILE N . 52883 2
293 . 2 . 2 81 81 ASN H H 1 8.184 0.009 . 1 . . . . . 61 ASN H . 52883 2
294 . 2 . 2 81 81 ASN C C 13 175.544 0.050 . 1 . . . . . 61 ASN C . 52883 2
295 . 2 . 2 81 81 ASN CA C 13 53.462 0.101 . 1 . . . . . 61 ASN CA . 52883 2
296 . 2 . 2 81 81 ASN CB C 13 35.025 0.001 . 1 . . . . . 61 ASN CB . 52883 2
297 . 2 . 2 81 81 ASN N N 15 117.989 0.173 . 1 . . . . . 61 ASN N . 52883 2
298 . 2 . 2 82 82 GLN H H 1 8.440 0.003 . 1 . . . . . 62 GLN H . 52883 2
299 . 2 . 2 82 82 GLN C C 13 175.530 0.023 . 1 . . . . . 62 GLN C . 52883 2
300 . 2 . 2 82 82 GLN CA C 13 55.661 0.053 . 1 . . . . . 62 GLN CA . 52883 2
301 . 2 . 2 82 82 GLN CB C 13 25.135 0.000 . 1 . . . . . 62 GLN CB . 52883 2
302 . 2 . 2 82 82 GLN N N 15 116.906 0.018 . 1 . . . . . 62 GLN N . 52883 2
303 . 2 . 2 83 83 THR H H 1 7.591 0.006 . 1 . . . . . 63 THR H . 52883 2
304 . 2 . 2 83 83 THR C C 13 173.243 0.000 . 1 . . . . . 63 THR C . 52883 2
305 . 2 . 2 83 83 THR CA C 13 62.746 0.093 . 1 . . . . . 63 THR CA . 52883 2
306 . 2 . 2 83 83 THR CB C 13 66.726 0.004 . 1 . . . . . 63 THR CB . 52883 2
307 . 2 . 2 83 83 THR N N 15 111.544 0.047 . 1 . . . . . 63 THR N . 52883 2
308 . 2 . 2 84 84 CYS H H 1 8.159 0.004 . 1 . . . . . 64 CYS H . 52883 2
309 . 2 . 2 84 84 CYS C C 13 172.505 0.010 . 1 . . . . . 64 CYS C . 52883 2
310 . 2 . 2 84 84 CYS CA C 13 56.666 0.122 . 1 . . . . . 64 CYS CA . 52883 2
311 . 2 . 2 84 84 CYS CB C 13 26.919 0.007 . 1 . . . . . 64 CYS CB . 52883 2
312 . 2 . 2 84 84 CYS N N 15 114.850 0.032 . 1 . . . . . 64 CYS N . 52883 2
313 . 2 . 2 85 85 GLY H H 1 8.043 0.004 . 1 . . . . . 65 GLY H . 52883 2
314 . 2 . 2 85 85 GLY C C 13 171.398 0.004 . 1 . . . . . 65 GLY C . 52883 2
315 . 2 . 2 85 85 GLY CA C 13 42.406 0.181 . 1 . . . . . 65 GLY CA . 52883 2
316 . 2 . 2 85 85 GLY N N 15 107.454 0.036 . 1 . . . . . 65 GLY N . 52883 2
317 . 2 . 2 86 86 ASN H H 1 8.835 0.004 . 1 . . . . . 66 ASN H . 52883 2
318 . 2 . 2 86 86 ASN C C 13 173.371 0.041 . 1 . . . . . 66 ASN C . 52883 2
319 . 2 . 2 86 86 ASN CA C 13 50.639 0.131 . 1 . . . . . 66 ASN CA . 52883 2
320 . 2 . 2 86 86 ASN CB C 13 36.058 0.006 . 1 . . . . . 66 ASN CB . 52883 2
321 . 2 . 2 86 86 ASN N N 15 119.668 0.028 . 1 . . . . . 66 ASN N . 52883 2
322 . 2 . 2 87 87 ARG H H 1 8.534 0.005 . 1 . . . . . 67 ARG H . 52883 2
323 . 2 . 2 87 87 ARG CA C 13 53.312 0.027 . 1 . . . . . 67 ARG CA . 52883 2
324 . 2 . 2 87 87 ARG CB C 13 27.233 0.000 . 1 . . . . . 67 ARG CB . 52883 2
325 . 2 . 2 87 87 ARG N N 15 122.034 0.025 . 1 . . . . . 67 ARG N . 52883 2
326 . 2 . 2 89 89 GLN C C 13 175.416 0.017 . 1 . . . . . 69 GLN C . 52883 2
327 . 2 . 2 89 89 GLN CA C 13 56.579 0.118 . 1 . . . . . 69 GLN CA . 52883 2
328 . 2 . 2 89 89 GLN CB C 13 24.386 0.000 . 1 . . . . . 69 GLN CB . 52883 2
329 . 2 . 2 90 90 LEU H H 1 8.337 0.004 . 1 . . . . . 70 LEU H . 52883 2
330 . 2 . 2 90 90 LEU C C 13 175.033 0.021 . 1 . . . . . 70 LEU C . 52883 2
331 . 2 . 2 90 90 LEU CA C 13 52.441 0.121 . 1 . . . . . 70 LEU CA . 52883 2
332 . 2 . 2 90 90 LEU CB C 13 38.502 0.008 . 1 . . . . . 70 LEU CB . 52883 2
333 . 2 . 2 90 90 LEU N N 15 122.105 0.037 . 1 . . . . . 70 LEU N . 52883 2
334 . 2 . 2 91 91 VAL H H 1 8.204 0.005 . 1 . . . . . 71 VAL H . 52883 2
335 . 2 . 2 91 91 VAL C C 13 173.698 0.007 . 1 . . . . . 71 VAL C . 52883 2
336 . 2 . 2 91 91 VAL CA C 13 59.046 0.030 . 1 . . . . . 71 VAL CA . 52883 2
337 . 2 . 2 91 91 VAL CB C 13 29.325 0.024 . 1 . . . . . 71 VAL CB . 52883 2
338 . 2 . 2 91 91 VAL N N 15 121.600 0.052 . 1 . . . . . 71 VAL N . 52883 2
339 . 2 . 2 92 92 SER H H 1 8.383 0.006 . 1 . . . . . 72 SER H . 52883 2
340 . 2 . 2 92 92 SER C C 13 170.532 0.000 . 1 . . . . . 72 SER C . 52883 2
341 . 2 . 2 92 92 SER CA C 13 53.247 0.048 . 1 . . . . . 72 SER CA . 52883 2
342 . 2 . 2 92 92 SER CB C 13 60.413 0.000 . 1 . . . . . 72 SER CB . 52883 2
343 . 2 . 2 92 92 SER N N 15 120.974 0.133 . 1 . . . . . 72 SER N . 52883 2
344 . 2 . 2 93 93 PRO C C 13 174.557 0.009 . 1 . . . . . 73 PRO C . 52883 2
345 . 2 . 2 93 93 PRO CA C 13 60.217 0.000 . 1 . . . . . 73 PRO CA . 52883 2
346 . 2 . 2 93 93 PRO CB C 13 28.835 0.000 . 1 . . . . . 73 PRO CB . 52883 2
347 . 2 . 2 94 94 ILE H H 1 8.148 0.009 . 1 . . . . . 74 ILE H . 52883 2
348 . 2 . 2 94 94 ILE C C 13 174.200 0.010 . 1 . . . . . 74 ILE C . 52883 2
349 . 2 . 2 94 94 ILE CA C 13 58.120 0.028 . 1 . . . . . 74 ILE CA . 52883 2
350 . 2 . 2 94 94 ILE CB C 13 35.122 0.015 . 1 . . . . . 74 ILE CB . 52883 2
351 . 2 . 2 94 94 ILE N N 15 120.250 0.067 . 1 . . . . . 74 ILE N . 52883 2
352 . 2 . 2 95 95 THR H H 1 8.192 0.006 . 1 . . . . . 75 THR H . 52883 2
353 . 2 . 2 95 95 THR CA C 13 56.769 0.077 . 1 . . . . . 75 THR CA . 52883 2
354 . 2 . 2 95 95 THR CB C 13 66.857 0.000 . 1 . . . . . 75 THR CB . 52883 2
355 . 2 . 2 95 95 THR N N 15 120.587 0.029 . 1 . . . . . 75 THR N . 52883 2
356 . 2 . 2 96 96 PRO C C 13 174.927 0.000 . 1 . . . . . 76 PRO C . 52883 2
357 . 2 . 2 96 96 PRO CA C 13 60.308 0.019 . 1 . . . . . 76 PRO CA . 52883 2
358 . 2 . 2 96 96 PRO CB C 13 26.651 0.000 . 1 . . . . . 76 PRO CB . 52883 2
359 . 2 . 2 97 97 MET H H 1 8.454 0.005 . 1 . . . . . 77 MET H . 52883 2
360 . 2 . 2 97 97 MET C C 13 174.748 0.026 . 1 . . . . . 77 MET C . 52883 2
361 . 2 . 2 97 97 MET CA C 13 52.663 0.008 . 1 . . . . . 77 MET CA . 52883 2
362 . 2 . 2 97 97 MET CB C 13 29.337 0.000 . 1 . . . . . 77 MET CB . 52883 2
363 . 2 . 2 97 97 MET N N 15 120.420 0.079 . 1 . . . . . 77 MET N . 52883 2
364 . 2 . 2 98 98 GLY H H 1 8.424 0.004 . 1 . . . . . 78 GLY H . 52883 2
365 . 2 . 2 98 98 GLY C C 13 172.439 0.007 . 1 . . . . . 78 GLY C . 52883 2
366 . 2 . 2 98 98 GLY CA C 13 42.216 0.213 . 1 . . . . . 78 GLY CA . 52883 2
367 . 2 . 2 98 98 GLY N N 15 109.936 0.085 . 1 . . . . . 78 GLY N . 52883 2
368 . 2 . 2 99 99 GLY H H 1 8.276 0.003 . 1 . . . . . 79 GLY H . 52883 2
369 . 2 . 2 99 99 GLY C C 13 171.981 0.017 . 1 . . . . . 79 GLY C . 52883 2
370 . 2 . 2 99 99 GLY CA C 13 42.094 0.153 . 1 . . . . . 79 GLY CA . 52883 2
371 . 2 . 2 99 99 GLY N N 15 108.624 0.048 . 1 . . . . . 79 GLY N . 52883 2
372 . 2 . 2 100 100 SER H H 1 8.250 0.003 . 1 . . . . . 80 SER H . 52883 2
373 . 2 . 2 100 100 SER C C 13 172.514 0.011 . 1 . . . . . 80 SER C . 52883 2
374 . 2 . 2 100 100 SER CA C 13 55.370 0.098 . 1 . . . . . 80 SER CA . 52883 2
375 . 2 . 2 100 100 SER CB C 13 61.098 0.016 . 1 . . . . . 80 SER CB . 52883 2
376 . 2 . 2 100 100 SER N N 15 115.232 0.029 . 1 . . . . . 80 SER N . 52883 2
377 . 2 . 2 101 101 ALA H H 1 8.462 0.004 . 1 . . . . . 81 ALA H . 52883 2
378 . 2 . 2 101 101 ALA C C 13 175.488 0.006 . 1 . . . . . 81 ALA C . 52883 2
379 . 2 . 2 101 101 ALA CA C 13 49.790 0.084 . 1 . . . . . 81 ALA CA . 52883 2
380 . 2 . 2 101 101 ALA CB C 13 15.586 0.013 . 1 . . . . . 81 ALA CB . 52883 2
381 . 2 . 2 101 101 ALA N N 15 125.493 0.037 . 1 . . . . . 81 ALA N . 52883 2
382 . 2 . 2 102 102 ASP H H 1 8.202 0.002 . 1 . . . . . 82 ASP H . 52883 2
383 . 2 . 2 102 102 ASP C C 13 174.084 0.004 . 1 . . . . . 82 ASP C . 52883 2
384 . 2 . 2 102 102 ASP CA C 13 51.546 0.011 . 1 . . . . . 82 ASP CA . 52883 2
385 . 2 . 2 102 102 ASP CB C 13 37.916 0.051 . 1 . . . . . 82 ASP CB . 52883 2
386 . 2 . 2 102 102 ASP N N 15 118.360 0.030 . 1 . . . . . 82 ASP N . 52883 2
387 . 2 . 2 103 103 SER H H 1 8.023 0.004 . 1 . . . . . 83 SER H . 52883 2
388 . 2 . 2 103 103 SER C C 13 171.693 0.010 . 1 . . . . . 83 SER C . 52883 2
389 . 2 . 2 103 103 SER CA C 13 55.355 0.035 . 1 . . . . . 83 SER CA . 52883 2
390 . 2 . 2 103 103 SER CB C 13 60.930 0.003 . 1 . . . . . 83 SER CB . 52883 2
391 . 2 . 2 103 103 SER N N 15 114.876 0.028 . 1 . . . . . 83 SER N . 52883 2
392 . 2 . 2 104 104 TYR H H 1 8.056 0.004 . 1 . . . . . 84 TYR H . 52883 2
393 . 2 . 2 104 104 TYR C C 13 172.653 0.011 . 1 . . . . . 84 TYR C . 52883 2
394 . 2 . 2 104 104 TYR CA C 13 55.181 0.125 . 1 . . . . . 84 TYR CA . 52883 2
395 . 2 . 2 104 104 TYR CB C 13 35.342 0.002 . 1 . . . . . 84 TYR CB . 52883 2
396 . 2 . 2 104 104 TYR N N 15 121.850 0.055 . 1 . . . . . 84 TYR N . 52883 2
397 . 2 . 2 105 105 ILE H H 1 7.864 0.005 . 1 . . . . . 85 ILE H . 52883 2
398 . 2 . 2 105 105 ILE C C 13 171.797 0.000 . 1 . . . . . 85 ILE C . 52883 2
399 . 2 . 2 105 105 ILE N N 15 125.803 0.065 . 1 . . . . . 85 ILE N . 52883 2
400 . 2 . 2 108 108 PRO C C 13 174.199 0.025 . 9 . . . . . 88 PRO C . 52883 2
401 . 2 . 2 108 108 PRO CA C 13 60.137 0.000 . 9 . . . . . 88 PRO CA . 52883 2
402 . 2 . 2 108 108 PRO CB C 13 28.441 0.000 . 9 . . . . . 88 PRO CB . 52883 2
403 . 2 . 2 109 109 VAL H H 1 8.074 0.005 . 9 . . . . . 89 VAL H . 52883 2
404 . 2 . 2 109 109 VAL C C 13 173.523 0.000 . 9 . . . . . 89 VAL C . 52883 2
405 . 2 . 2 109 109 VAL CA C 13 59.281 0.000 . 9 . . . . . 89 VAL CA . 52883 2
406 . 2 . 2 109 109 VAL CB C 13 29.660 0.000 . 9 . . . . . 89 VAL CB . 52883 2
407 . 2 . 2 109 109 VAL N N 15 118.650 0.071 . 9 . . . . . 89 VAL N . 52883 2
408 . 2 . 2 111 111 VAL CA C 13 58.688 0.000 . 1 . . . . . 91 VAL CA . 52883 2
409 . 2 . 2 111 111 VAL CB C 13 29.813 0.000 . 1 . . . . . 91 VAL CB . 52883 2
410 . 2 . 2 112 112 GLU H H 1 8.459 0.010 . 1 . . . . . 92 GLU H . 52883 2
411 . 2 . 2 112 112 GLU C C 13 173.459 0.012 . 1 . . . . . 92 GLU C . 52883 2
412 . 2 . 2 112 112 GLU CA C 13 53.118 0.045 . 1 . . . . . 92 GLU CA . 52883 2
413 . 2 . 2 112 112 GLU CB C 13 27.088 0.006 . 1 . . . . . 92 GLU CB . 52883 2
414 . 2 . 2 112 112 GLU N N 15 120.572 0.039 . 1 . . . . . 92 GLU N . 52883 2
415 . 2 . 2 113 113 VAL H H 1 8.385 0.005 . 1 . . . . . 93 VAL H . 52883 2
416 . 2 . 2 113 113 VAL C C 13 174.197 0.006 . 1 . . . . . 93 VAL C . 52883 2
417 . 2 . 2 113 113 VAL CA C 13 59.227 0.104 . 1 . . . . . 93 VAL CA . 52883 2
418 . 2 . 2 113 113 VAL CB C 13 29.697 0.004 . 1 . . . . . 93 VAL CB . 52883 2
419 . 2 . 2 113 113 VAL N N 15 121.875 0.071 . 1 . . . . . 93 VAL N . 52883 2
420 . 2 . 2 114 114 GLY H H 1 9.018 0.004 . 1 . . . . . 94 GLY H . 52883 2
421 . 2 . 2 114 114 GLY C C 13 171.858 0.023 . 1 . . . . . 94 GLY C . 52883 2
422 . 2 . 2 114 114 GLY CA C 13 41.951 0.068 . 1 . . . . . 94 GLY CA . 52883 2
423 . 2 . 2 114 114 GLY N N 15 113.299 0.064 . 1 . . . . . 94 GLY N . 52883 2
424 . 2 . 2 115 115 GLY H H 1 8.421 0.006 . 1 . . . . . 95 GLY H . 52883 2
425 . 2 . 2 115 115 GLY C C 13 172.384 0.049 . 1 . . . . . 95 GLY C . 52883 2
426 . 2 . 2 115 115 GLY CA C 13 42.928 0.017 . 1 . . . . . 95 GLY CA . 52883 2
427 . 2 . 2 115 115 GLY N N 15 109.520 0.328 . 1 . . . . . 95 GLY N . 52883 2
428 . 2 . 2 116 116 ALA H H 1 8.179 0.003 . 1 . . . . . 96 ALA H . 52883 2
429 . 2 . 2 116 116 ALA C C 13 173.444 0.034 . 1 . . . . . 96 ALA C . 52883 2
430 . 2 . 2 116 116 ALA CA C 13 48.627 0.069 . 1 . . . . . 96 ALA CA . 52883 2
431 . 2 . 2 116 116 ALA CB C 13 19.701 0.019 . 1 . . . . . 96 ALA CB . 52883 2
432 . 2 . 2 116 116 ALA N N 15 119.429 0.039 . 1 . . . . . 96 ALA N . 52883 2
433 . 2 . 2 117 117 THR H H 1 8.445 0.010 . 1 . . . . . 97 THR H . 52883 2
434 . 2 . 2 117 117 THR C C 13 170.662 0.060 . 1 . . . . . 97 THR C . 52883 2
435 . 2 . 2 117 117 THR CA C 13 60.864 0.026 . 1 . . . . . 97 THR CA . 52883 2
436 . 2 . 2 117 117 THR CB C 13 68.034 0.009 . 1 . . . . . 97 THR CB . 52883 2
437 . 2 . 2 117 117 THR N N 15 120.786 0.122 . 1 . . . . . 97 THR N . 52883 2
438 . 2 . 2 118 118 VAL H H 1 8.717 0.004 . 1 . . . . . 98 VAL H . 52883 2
439 . 2 . 2 118 118 VAL C C 13 170.904 0.024 . 1 . . . . . 98 VAL C . 52883 2
440 . 2 . 2 118 118 VAL CA C 13 57.471 0.015 . 1 . . . . . 98 VAL CA . 52883 2
441 . 2 . 2 118 118 VAL CB C 13 31.650 0.035 . 1 . . . . . 98 VAL CB . 52883 2
442 . 2 . 2 118 118 VAL N N 15 125.521 0.035 . 1 . . . . . 98 VAL N . 52883 2
443 . 2 . 2 119 119 PHE H H 1 9.419 0.005 . 1 . . . . . 99 PHE H . 52883 2
444 . 2 . 2 119 119 PHE C C 13 172.515 0.000 . 1 . . . . . 99 PHE C . 52883 2
445 . 2 . 2 119 119 PHE CA C 13 53.295 0.070 . 1 . . . . . 99 PHE CA . 52883 2
446 . 2 . 2 119 119 PHE CB C 13 38.462 0.014 . 1 . . . . . 99 PHE CB . 52883 2
447 . 2 . 2 119 119 PHE N N 15 122.881 0.039 . 1 . . . . . 99 PHE N . 52883 2
448 . 2 . 2 120 120 VAL H H 1 9.008 0.004 . 1 . . . . . 100 VAL H . 52883 2
449 . 2 . 2 120 120 VAL C C 13 173.626 0.000 . 1 . . . . . 100 VAL C . 52883 2
450 . 2 . 2 120 120 VAL CA C 13 58.712 0.052 . 1 . . . . . 100 VAL CA . 52883 2
451 . 2 . 2 120 120 VAL CB C 13 28.590 0.000 . 1 . . . . . 100 VAL CB . 52883 2
452 . 2 . 2 120 120 VAL N N 15 121.577 0.056 . 1 . . . . . 100 VAL N . 52883 2
453 . 2 . 2 121 121 MET H H 1 9.984 0.004 . 1 . . . . . 101 MET H . 52883 2
454 . 2 . 2 121 121 MET CA C 13 49.992 0.064 . 1 . . . . . 101 MET CA . 52883 2
455 . 2 . 2 121 121 MET CB C 13 32.366 0.000 . 1 . . . . . 101 MET CB . 52883 2
456 . 2 . 2 121 121 MET N N 15 127.100 0.020 . 1 . . . . . 101 MET N . 52883 2
457 . 2 . 2 122 122 PRO C C 13 171.913 0.006 . 1 . . . . . 102 PRO C . 52883 2
458 . 2 . 2 122 122 PRO CA C 13 60.125 0.020 . 1 . . . . . 102 PRO CA . 52883 2
459 . 2 . 2 122 122 PRO CB C 13 28.777 0.000 . 1 . . . . . 102 PRO CB . 52883 2
460 . 2 . 2 123 123 VAL H H 1 7.601 0.002 . 1 . . . . . 103 VAL H . 52883 2
461 . 2 . 2 123 123 VAL C C 13 174.190 0.015 . 1 . . . . . 103 VAL C . 52883 2
462 . 2 . 2 123 123 VAL CA C 13 58.441 0.084 . 1 . . . . . 103 VAL CA . 52883 2
463 . 2 . 2 123 123 VAL CB C 13 31.810 0.023 . 1 . . . . . 103 VAL CB . 52883 2
464 . 2 . 2 123 123 VAL N N 15 115.560 0.023 . 1 . . . . . 103 VAL N . 52883 2
465 . 2 . 2 124 124 ASP H H 1 9.400 0.005 . 1 . . . . . 104 ASP H . 52883 2
466 . 2 . 2 124 124 ASP C C 13 174.394 0.000 . 1 . . . . . 104 ASP C . 52883 2
467 . 2 . 2 124 124 ASP CA C 13 54.055 0.177 . 1 . . . . . 104 ASP CA . 52883 2
468 . 2 . 2 124 124 ASP CB C 13 38.306 0.155 . 1 . . . . . 104 ASP CB . 52883 2
469 . 2 . 2 124 124 ASP N N 15 128.019 0.035 . 1 . . . . . 104 ASP N . 52883 2
470 . 2 . 2 125 125 ALA H H 1 7.972 0.005 . 1 . . . . . 105 ALA H . 52883 2
471 . 2 . 2 125 125 ALA C C 13 170.760 0.022 . 1 . . . . . 105 ALA C . 52883 2
472 . 2 . 2 125 125 ALA CA C 13 48.907 0.015 . 1 . . . . . 105 ALA CA . 52883 2
473 . 2 . 2 125 125 ALA CB C 13 18.991 0.011 . 1 . . . . . 105 ALA CB . 52883 2
474 . 2 . 2 125 125 ALA N N 15 118.487 0.059 . 1 . . . . . 105 ALA N . 52883 2
475 . 2 . 2 126 126 PHE H H 1 8.029 0.002 . 1 . . . . . 106 PHE H . 52883 2
476 . 2 . 2 126 126 PHE C C 13 170.651 0.000 . 1 . . . . . 106 PHE C . 52883 2
477 . 2 . 2 126 126 PHE CA C 13 52.445 0.075 . 1 . . . . . 106 PHE CA . 52883 2
478 . 2 . 2 126 126 PHE CB C 13 40.240 0.078 . 1 . . . . . 106 PHE CB . 52883 2
479 . 2 . 2 126 126 PHE N N 15 122.047 0.029 . 1 . . . . . 106 PHE N . 52883 2
480 . 2 . 2 127 127 HIS H H 1 8.503 0.004 . 1 . . . . . 107 HIS H . 52883 2
481 . 2 . 2 127 127 HIS C C 13 170.286 0.014 . 1 . . . . . 107 HIS C . 52883 2
482 . 2 . 2 127 127 HIS CA C 13 51.234 0.119 . 1 . . . . . 107 HIS CA . 52883 2
483 . 2 . 2 127 127 HIS CB C 13 31.760 0.000 . 1 . . . . . 107 HIS CB . 52883 2
484 . 2 . 2 127 127 HIS N N 15 124.526 0.032 . 1 . . . . . 107 HIS N . 52883 2
485 . 2 . 2 128 128 GLN H H 1 7.854 0.005 . 1 . . . . . 108 GLN H . 52883 2
486 . 2 . 2 128 128 GLN C C 13 171.900 0.014 . 1 . . . . . 108 GLN C . 52883 2
487 . 2 . 2 128 128 GLN CA C 13 52.211 0.116 . 1 . . . . . 108 GLN CA . 52883 2
488 . 2 . 2 128 128 GLN CB C 13 28.160 0.017 . 1 . . . . . 108 GLN CB . 52883 2
489 . 2 . 2 128 128 GLN N N 15 118.895 0.044 . 1 . . . . . 108 GLN N . 52883 2
490 . 2 . 2 129 129 PHE H H 1 8.802 0.001 . 1 . . . . . 109 PHE H . 52883 2
491 . 2 . 2 129 129 PHE C C 13 178.394 0.000 . 1 . . . . . 109 PHE C . 52883 2
492 . 2 . 2 129 129 PHE CA C 13 54.437 0.035 . 1 . . . . . 109 PHE CA . 52883 2
493 . 2 . 2 129 129 PHE CB C 13 38.184 0.000 . 1 . . . . . 109 PHE CB . 52883 2
494 . 2 . 2 129 129 PHE N N 15 128.132 0.030 . 1 . . . . . 109 PHE N . 52883 2
stop_
save_