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 27618
_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' . . . 27618 1
2 '3D HNCACB' . . . 27618 1
3 '3D CBCA(CO)NH' . . . 27618 1
4 '3D HNCO' . . . 27618 1
5 '3D HN(CA)CO' . . . 27618 1
6 '2D 1H-15N HSQC' . . . 27618 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 . . 27618 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 8 8 ARG C C 13 176.088 0.015 . 1 . . . . . 3 ARG C . 27618 1
2 . 1 1 8 8 ARG CA C 13 56.063 0.007 . 1 . . . . . 3 ARG CA . 27618 1
3 . 1 1 8 8 ARG CB C 13 30.836 0.000 . 1 . . . . . 3 ARG CB . 27618 1
4 . 1 1 9 9 ALA H H 1 8.333 0.009 . 1 . . . . . 4 ALA H . 27618 1
5 . 1 1 9 9 ALA C C 13 177.395 0.002 . 1 . . . . . 4 ALA C . 27618 1
6 . 1 1 9 9 ALA CA C 13 52.522 0.052 . 1 . . . . . 4 ALA CA . 27618 1
7 . 1 1 9 9 ALA CB C 13 19.324 0.036 . 1 . . . . . 4 ALA CB . 27618 1
8 . 1 1 9 9 ALA N N 15 125.089 0.021 . 1 . . . . . 4 ALA N . 27618 1
9 . 1 1 10 10 ALA H H 1 8.305 0.009 . 1 . . . . . 5 ALA H . 27618 1
10 . 1 1 10 10 ALA C C 13 177.544 0.028 . 1 . . . . . 5 ALA C . 27618 1
11 . 1 1 10 10 ALA CA C 13 52.234 0.032 . 1 . . . . . 5 ALA CA . 27618 1
12 . 1 1 10 10 ALA CB C 13 19.295 0.015 . 1 . . . . . 5 ALA CB . 27618 1
13 . 1 1 10 10 ALA N N 15 123.195 0.031 . 1 . . . . . 5 ALA N . 27618 1
14 . 1 1 11 11 LEU H H 1 8.235 0.008 . 1 . . . . . 6 LEU H . 27618 1
15 . 1 1 11 11 LEU C C 13 175.438 0.000 . 1 . . . . . 6 LEU C . 27618 1
16 . 1 1 11 11 LEU CA C 13 52.932 0.000 . 1 . . . . . 6 LEU CA . 27618 1
17 . 1 1 11 11 LEU CB C 13 41.710 0.000 . 1 . . . . . 6 LEU CB . 27618 1
18 . 1 1 11 11 LEU N N 15 122.784 0.021 . 1 . . . . . 6 LEU N . 27618 1
19 . 1 1 12 12 PRO C C 13 176.948 0.006 . 1 . . . . . 7 PRO C . 27618 1
20 . 1 1 12 12 PRO CA C 13 63.238 0.000 . 1 . . . . . 7 PRO CA . 27618 1
21 . 1 1 12 12 PRO CB C 13 32.161 0.000 . 1 . . . . . 7 PRO CB . 27618 1
22 . 1 1 13 13 SER H H 1 8.455 0.009 . 1 . . . . . 8 SER H . 27618 1
23 . 1 1 13 13 SER C C 13 174.905 0.006 . 1 . . . . . 8 SER C . 27618 1
24 . 1 1 13 13 SER CA C 13 58.100 0.062 . 1 . . . . . 8 SER CA . 27618 1
25 . 1 1 13 13 SER CB C 13 63.851 0.061 . 1 . . . . . 8 SER CB . 27618 1
26 . 1 1 13 13 SER N N 15 115.956 0.026 . 1 . . . . . 8 SER N . 27618 1
27 . 1 1 14 14 LEU H H 1 8.484 0.008 . 1 . . . . . 9 LEU H . 27618 1
28 . 1 1 14 14 LEU C C 13 177.559 0.023 . 1 . . . . . 9 LEU C . 27618 1
29 . 1 1 14 14 LEU CA C 13 55.405 0.061 . 1 . . . . . 9 LEU CA . 27618 1
30 . 1 1 14 14 LEU CB C 13 42.216 0.021 . 1 . . . . . 9 LEU CB . 27618 1
31 . 1 1 14 14 LEU N N 15 124.386 0.012 . 1 . . . . . 9 LEU N . 27618 1
32 . 1 1 15 15 GLU H H 1 8.380 0.008 . 1 . . . . . 10 GLU H . 27618 1
33 . 1 1 15 15 GLU C C 13 176.002 0.000 . 1 . . . . . 10 GLU C . 27618 1
34 . 1 1 15 15 GLU CA C 13 56.626 0.039 . 1 . . . . . 10 GLU CA . 27618 1
35 . 1 1 15 15 GLU CB C 13 30.543 0.059 . 1 . . . . . 10 GLU CB . 27618 1
36 . 1 1 15 15 GLU N N 15 120.405 0.016 . 1 . . . . . 10 GLU N . 27618 1
37 . 1 1 16 16 ASN H H 1 8.486 0.008 . 1 . . . . . 11 ASN H . 27618 1
38 . 1 1 16 16 ASN C C 13 175.111 0.014 . 1 . . . . . 11 ASN C . 27618 1
39 . 1 1 16 16 ASN CA C 13 53.174 0.062 . 1 . . . . . 11 ASN CA . 27618 1
40 . 1 1 16 16 ASN CB C 13 38.830 0.042 . 1 . . . . . 11 ASN CB . 27618 1
41 . 1 1 16 16 ASN N N 15 119.263 0.028 . 1 . . . . . 11 ASN N . 27618 1
42 . 1 1 17 17 LEU H H 1 8.402 0.008 . 1 . . . . . 12 LEU H . 27618 1
43 . 1 1 17 17 LEU C C 13 177.686 0.015 . 1 . . . . . 12 LEU C . 27618 1
44 . 1 1 17 17 LEU CA C 13 55.359 0.028 . 1 . . . . . 12 LEU CA . 27618 1
45 . 1 1 17 17 LEU CB C 13 42.283 0.044 . 1 . . . . . 12 LEU CB . 27618 1
46 . 1 1 17 17 LEU N N 15 123.133 0.017 . 1 . . . . . 12 LEU N . 27618 1
47 . 1 1 18 18 GLU H H 1 8.493 0.007 . 1 . . . . . 13 GLU H . 27618 1
48 . 1 1 18 18 GLU C C 13 176.332 0.000 . 1 . . . . . 13 GLU C . 27618 1
49 . 1 1 18 18 GLU CA C 13 56.398 0.026 . 1 . . . . . 13 GLU CA . 27618 1
50 . 1 1 18 18 GLU CB C 13 30.329 0.026 . 1 . . . . . 13 GLU CB . 27618 1
51 . 1 1 18 18 GLU N N 15 121.015 0.020 . 1 . . . . . 13 GLU N . 27618 1
52 . 1 1 19 19 ASP H H 1 8.376 0.009 . 1 . . . . . 14 ASP H . 27618 1
53 . 1 1 19 19 ASP C C 13 176.336 0.009 . 1 . . . . . 14 ASP C . 27618 1
54 . 1 1 19 19 ASP CA C 13 54.480 0.013 . 1 . . . . . 14 ASP CA . 27618 1
55 . 1 1 19 19 ASP CB C 13 41.435 0.000 . 1 . . . . . 14 ASP CB . 27618 1
56 . 1 1 19 19 ASP N N 15 121.212 0.069 . 1 . . . . . 14 ASP N . 27618 1
57 . 1 1 20 20 ASP H H 1 8.369 0.009 . 1 . . . . . 15 ASP H . 27618 1
58 . 1 1 20 20 ASP C C 13 176.272 0.001 . 1 . . . . . 15 ASP C . 27618 1
59 . 1 1 20 20 ASP CA C 13 54.499 0.011 . 1 . . . . . 15 ASP CA . 27618 1
60 . 1 1 20 20 ASP CB C 13 41.418 0.000 . 1 . . . . . 15 ASP CB . 27618 1
61 . 1 1 20 20 ASP N N 15 121.284 0.018 . 1 . . . . . 15 ASP N . 27618 1
62 . 1 1 21 21 ASP H H 1 8.421 0.008 . 1 . . . . . 16 ASP H . 27618 1
63 . 1 1 21 21 ASP C C 13 176.406 0.003 . 1 . . . . . 16 ASP C . 27618 1
64 . 1 1 21 21 ASP CA C 13 54.507 0.012 . 1 . . . . . 16 ASP CA . 27618 1
65 . 1 1 21 21 ASP CB C 13 41.348 0.012 . 1 . . . . . 16 ASP CB . 27618 1
66 . 1 1 21 21 ASP N N 15 121.428 0.050 . 1 . . . . . 16 ASP N . 27618 1
67 . 1 1 22 22 GLU H H 1 8.386 0.008 . 1 . . . . . 17 GLU H . 27618 1
68 . 1 1 22 22 GLU C C 13 176.253 0.014 . 1 . . . . . 17 GLU C . 27618 1
69 . 1 1 22 22 GLU CA C 13 56.613 0.046 . 1 . . . . . 17 GLU CA . 27618 1
70 . 1 1 22 22 GLU CB C 13 30.384 0.054 . 1 . . . . . 17 GLU CB . 27618 1
71 . 1 1 22 22 GLU N N 15 121.346 0.061 . 1 . . . . . 17 GLU N . 27618 1
72 . 1 1 23 23 PHE H H 1 8.310 0.007 . 1 . . . . . 18 PHE H . 27618 1
73 . 1 1 23 23 PHE C C 13 175.627 0.008 . 1 . . . . . 18 PHE C . 27618 1
74 . 1 1 23 23 PHE CA C 13 57.809 0.053 . 1 . . . . . 18 PHE CA . 27618 1
75 . 1 1 23 23 PHE CB C 13 39.775 0.063 . 1 . . . . . 18 PHE CB . 27618 1
76 . 1 1 23 23 PHE N N 15 121.313 0.039 . 1 . . . . . 18 PHE N . 27618 1
77 . 1 1 24 24 GLU H H 1 8.239 0.008 . 1 . . . . . 19 GLU H . 27618 1
78 . 1 1 24 24 GLU C C 13 175.395 0.003 . 1 . . . . . 19 GLU C . 27618 1
79 . 1 1 24 24 GLU CA C 13 56.196 0.071 . 1 . . . . . 19 GLU CA . 27618 1
80 . 1 1 24 24 GLU CB C 13 30.753 0.041 . 1 . . . . . 19 GLU CB . 27618 1
81 . 1 1 24 24 GLU N N 15 123.632 0.031 . 1 . . . . . 19 GLU N . 27618 1
82 . 1 1 25 25 ASP H H 1 8.310 0.008 . 1 . . . . . 20 ASP H . 27618 1
83 . 1 1 25 25 ASP C C 13 176.048 0.012 . 1 . . . . . 20 ASP C . 27618 1
84 . 1 1 25 25 ASP CA C 13 54.074 0.047 . 1 . . . . . 20 ASP CA . 27618 1
85 . 1 1 25 25 ASP CB C 13 41.321 0.033 . 1 . . . . . 20 ASP CB . 27618 1
86 . 1 1 25 25 ASP N N 15 122.234 0.023 . 1 . . . . . 20 ASP N . 27618 1
87 . 1 1 26 26 PHE H H 1 8.244 0.008 . 1 . . . . . 21 PHE H . 27618 1
88 . 1 1 26 26 PHE C C 13 175.783 0.005 . 1 . . . . . 21 PHE C . 27618 1
89 . 1 1 26 26 PHE CA C 13 57.814 0.047 . 1 . . . . . 21 PHE CA . 27618 1
90 . 1 1 26 26 PHE CB C 13 39.430 0.008 . 1 . . . . . 21 PHE CB . 27618 1
91 . 1 1 26 26 PHE N N 15 121.309 0.011 . 1 . . . . . 21 PHE N . 27618 1
92 . 1 1 27 27 ALA H H 1 8.317 0.009 . 1 . . . . . 22 ALA H . 27618 1
93 . 1 1 27 27 ALA C C 13 178.008 0.008 . 1 . . . . . 22 ALA C . 27618 1
94 . 1 1 27 27 ALA CA C 13 52.673 0.012 . 1 . . . . . 22 ALA CA . 27618 1
95 . 1 1 27 27 ALA CB C 13 19.261 0.016 . 1 . . . . . 22 ALA CB . 27618 1
96 . 1 1 27 27 ALA N N 15 125.361 0.027 . 1 . . . . . 22 ALA N . 27618 1
97 . 1 1 28 28 THR H H 1 8.131 0.008 . 1 . . . . . 23 THR H . 27618 1
98 . 1 1 28 28 THR C C 13 174.846 0.012 . 1 . . . . . 23 THR C . 27618 1
99 . 1 1 28 28 THR CA C 13 62.200 0.086 . 1 . . . . . 23 THR CA . 27618 1
100 . 1 1 28 28 THR CB C 13 69.705 0.069 . 1 . . . . . 23 THR CB . 27618 1
101 . 1 1 28 28 THR N N 15 113.884 0.042 . 1 . . . . . 23 THR N . 27618 1
102 . 1 1 29 29 GLU H H 1 8.444 0.008 . 1 . . . . . 24 GLU H . 27618 1
103 . 1 1 29 29 GLU C C 13 175.877 0.003 . 1 . . . . . 24 GLU C . 27618 1
104 . 1 1 29 29 GLU CA C 13 56.517 0.074 . 1 . . . . . 24 GLU CA . 27618 1
105 . 1 1 29 29 GLU CB C 13 30.192 0.015 . 1 . . . . . 24 GLU CB . 27618 1
106 . 1 1 29 29 GLU N N 15 122.767 0.020 . 1 . . . . . 24 GLU N . 27618 1
107 . 1 1 30 30 ASN H H 1 8.311 0.008 . 1 . . . . . 25 ASN H . 27618 1
108 . 1 1 30 30 ASN C C 13 174.381 0.011 . 1 . . . . . 25 ASN C . 27618 1
109 . 1 1 30 30 ASN CA C 13 53.035 0.139 . 1 . . . . . 25 ASN CA . 27618 1
110 . 1 1 30 30 ASN CB C 13 39.104 0.028 . 1 . . . . . 25 ASN CB . 27618 1
111 . 1 1 30 30 ASN N N 15 119.555 0.028 . 1 . . . . . 25 ASN N . 27618 1
112 . 1 1 31 31 TRP H H 1 8.185 0.008 . 1 . . . . . 26 TRP H . 27618 1
113 . 1 1 31 31 TRP C C 13 174.333 0.000 . 1 . . . . . 26 TRP C . 27618 1
114 . 1 1 31 31 TRP CA C 13 55.057 0.000 . 1 . . . . . 26 TRP CA . 27618 1
115 . 1 1 31 31 TRP CB C 13 29.034 0.000 . 1 . . . . . 26 TRP CB . 27618 1
116 . 1 1 31 31 TRP N N 15 123.119 0.030 . 1 . . . . . 26 TRP N . 27618 1
117 . 1 1 32 32 PRO C C 13 177.032 0.000 . 1 . . . . . 27 PRO C . 27618 1
118 . 1 1 32 32 PRO CA C 13 63.326 0.078 . 1 . . . . . 27 PRO CA . 27618 1
119 . 1 1 32 32 PRO CB C 13 32.106 0.016 . 1 . . . . . 27 PRO CB . 27618 1
120 . 1 1 33 33 MET H H 1 8.517 0.008 . 1 . . . . . 28 MET H . 27618 1
121 . 1 1 33 33 MET C C 13 176.411 0.020 . 1 . . . . . 28 MET C . 27618 1
122 . 1 1 33 33 MET CA C 13 55.425 0.022 . 1 . . . . . 28 MET CA . 27618 1
123 . 1 1 33 33 MET CB C 13 32.896 0.094 . 1 . . . . . 28 MET CB . 27618 1
124 . 1 1 33 33 MET N N 15 120.894 0.060 . 1 . . . . . 28 MET N . 27618 1
125 . 1 1 34 34 LYS H H 1 8.447 0.008 . 1 . . . . . 29 LYS H . 27618 1
126 . 1 1 34 34 LYS C C 13 176.421 0.021 . 1 . . . . . 29 LYS C . 27618 1
127 . 1 1 34 34 LYS CA C 13 56.382 0.048 . 1 . . . . . 29 LYS CA . 27618 1
128 . 1 1 34 34 LYS CB C 13 33.402 0.045 . 1 . . . . . 29 LYS CB . 27618 1
129 . 1 1 34 34 LYS N N 15 123.417 0.110 . 1 . . . . . 29 LYS N . 27618 1
130 . 1 1 35 35 ASP H H 1 8.610 0.008 . 1 . . . . . 30 ASP H . 27618 1
131 . 1 1 35 35 ASP C C 13 176.691 0.011 . 1 . . . . . 30 ASP C . 27618 1
132 . 1 1 35 35 ASP CA C 13 54.628 0.004 . 1 . . . . . 30 ASP CA . 27618 1
133 . 1 1 35 35 ASP CB C 13 41.002 0.052 . 1 . . . . . 30 ASP CB . 27618 1
134 . 1 1 35 35 ASP N N 15 122.445 0.020 . 1 . . . . . 30 ASP N . 27618 1
135 . 1 1 36 36 THR H H 1 8.210 0.009 . 1 . . . . . 31 THR H . 27618 1
136 . 1 1 36 36 THR C C 13 174.834 0.007 . 1 . . . . . 31 THR C . 27618 1
137 . 1 1 36 36 THR CA C 13 62.184 0.048 . 1 . . . . . 31 THR CA . 27618 1
138 . 1 1 36 36 THR CB C 13 69.720 0.044 . 1 . . . . . 31 THR CB . 27618 1
139 . 1 1 36 36 THR N N 15 114.612 0.020 . 1 . . . . . 31 THR N . 27618 1
140 . 1 1 37 37 GLU H H 1 8.540 0.008 . 1 . . . . . 32 GLU H . 27618 1
141 . 1 1 37 37 GLU C C 13 176.503 0.005 . 1 . . . . . 32 GLU C . 27618 1
142 . 1 1 37 37 GLU CA C 13 56.494 0.035 . 1 . . . . . 32 GLU CA . 27618 1
143 . 1 1 37 37 GLU CB C 13 30.201 0.015 . 1 . . . . . 32 GLU CB . 27618 1
144 . 1 1 37 37 GLU N N 15 123.394 0.016 . 1 . . . . . 32 GLU N . 27618 1
145 . 1 1 38 38 LEU H H 1 8.272 0.009 . 1 . . . . . 33 LEU H . 27618 1
146 . 1 1 38 38 LEU C C 13 177.134 0.013 . 1 . . . . . 33 LEU C . 27618 1
147 . 1 1 38 38 LEU CA C 13 55.046 0.053 . 1 . . . . . 33 LEU CA . 27618 1
148 . 1 1 38 38 LEU CB C 13 42.574 0.002 . 1 . . . . . 33 LEU CB . 27618 1
149 . 1 1 38 38 LEU N N 15 122.998 0.017 . 1 . . . . . 33 LEU N . 27618 1
150 . 1 1 39 39 ASP H H 1 8.504 0.007 . 1 . . . . . 34 ASP H . 27618 1
151 . 1 1 39 39 ASP C C 13 176.793 0.009 . 1 . . . . . 34 ASP C . 27618 1
152 . 1 1 39 39 ASP CA C 13 54.127 0.013 . 1 . . . . . 34 ASP CA . 27618 1
153 . 1 1 39 39 ASP CB C 13 41.198 0.060 . 1 . . . . . 34 ASP CB . 27618 1
154 . 1 1 39 39 ASP N N 15 122.168 0.010 . 1 . . . . . 34 ASP N . 27618 1
155 . 1 1 40 40 THR H H 1 8.318 0.008 . 1 . . . . . 35 THR H . 27618 1
156 . 1 1 40 40 THR C C 13 175.636 0.003 . 1 . . . . . 35 THR C . 27618 1
157 . 1 1 40 40 THR CA C 13 61.901 0.050 . 1 . . . . . 35 THR CA . 27618 1
158 . 1 1 40 40 THR CB C 13 69.561 0.036 . 1 . . . . . 35 THR CB . 27618 1
159 . 1 1 40 40 THR N N 15 114.749 0.020 . 1 . . . . . 35 THR N . 27618 1
160 . 1 1 41 41 GLY H H 1 8.542 0.008 . 1 . . . . . 36 GLY H . 27618 1
161 . 1 1 41 41 GLY C C 13 174.026 0.006 . 1 . . . . . 36 GLY C . 27618 1
162 . 1 1 41 41 GLY CA C 13 45.496 0.058 . 1 . . . . . 36 GLY CA . 27618 1
163 . 1 1 41 41 GLY N N 15 111.234 0.032 . 1 . . . . . 36 GLY N . 27618 1
164 . 1 1 42 42 ASP H H 1 8.315 0.009 . 1 . . . . . 37 ASP H . 27618 1
165 . 1 1 42 42 ASP C C 13 176.336 0.012 . 1 . . . . . 37 ASP C . 27618 1
166 . 1 1 42 42 ASP CA C 13 54.381 0.039 . 1 . . . . . 37 ASP CA . 27618 1
167 . 1 1 42 42 ASP CB C 13 41.324 0.021 . 1 . . . . . 37 ASP CB . 27618 1
168 . 1 1 42 42 ASP N N 15 120.603 0.019 . 1 . . . . . 37 ASP N . 27618 1
169 . 1 1 43 43 ASP H H 1 8.514 0.008 . 1 . . . . . 38 ASP H . 27618 1
170 . 1 1 43 43 ASP C C 13 176.876 0.016 . 1 . . . . . 38 ASP C . 27618 1
171 . 1 1 43 43 ASP CA C 13 54.490 0.038 . 1 . . . . . 38 ASP CA . 27618 1
172 . 1 1 43 43 ASP CB C 13 41.053 0.000 . 1 . . . . . 38 ASP CB . 27618 1
173 . 1 1 43 43 ASP N N 15 121.892 0.070 . 1 . . . . . 38 ASP N . 27618 1
174 . 1 1 44 44 THR H H 1 8.224 0.008 . 1 . . . . . 39 THR H . 27618 1
175 . 1 1 44 44 THR C C 13 174.852 0.008 . 1 . . . . . 39 THR C . 27618 1
176 . 1 1 44 44 THR CA C 13 62.805 0.087 . 1 . . . . . 39 THR CA . 27618 1
177 . 1 1 44 44 THR CB C 13 69.663 0.083 . 1 . . . . . 39 THR CB . 27618 1
178 . 1 1 44 44 THR N N 15 114.644 0.027 . 1 . . . . . 39 THR N . 27618 1
179 . 1 1 45 45 LEU H H 1 8.151 0.008 . 1 . . . . . 40 LEU H . 27618 1
180 . 1 1 45 45 LEU C C 13 177.109 0.005 . 1 . . . . . 40 LEU C . 27618 1
181 . 1 1 45 45 LEU CA C 13 55.225 0.014 . 1 . . . . . 40 LEU CA . 27618 1
182 . 1 1 45 45 LEU CB C 13 41.970 0.034 . 1 . . . . . 40 LEU CB . 27618 1
183 . 1 1 45 45 LEU N N 15 124.417 0.016 . 1 . . . . . 40 LEU N . 27618 1
184 . 1 1 46 46 TRP H H 1 8.110 0.008 . 1 . . . . . 41 TRP H . 27618 1
185 . 1 1 46 46 TRP C C 13 176.186 0.012 . 1 . . . . . 41 TRP C . 27618 1
186 . 1 1 46 46 TRP CA C 13 57.042 0.050 . 1 . . . . . 41 TRP CA . 27618 1
187 . 1 1 46 46 TRP CB C 13 29.657 0.053 . 1 . . . . . 41 TRP CB . 27618 1
188 . 1 1 46 46 TRP N N 15 122.341 0.032 . 1 . . . . . 41 TRP N . 27618 1
189 . 1 1 47 47 GLU H H 1 8.121 0.008 . 1 . . . . . 42 GLU H . 27618 1
190 . 1 1 47 47 GLU C C 13 175.655 0.006 . 1 . . . . . 42 GLU C . 27618 1
191 . 1 1 47 47 GLU CA C 13 56.440 0.005 . 1 . . . . . 42 GLU CA . 27618 1
192 . 1 1 47 47 GLU CB C 13 30.678 0.038 . 1 . . . . . 42 GLU CB . 27618 1
193 . 1 1 47 47 GLU N N 15 122.695 0.053 . 1 . . . . . 42 GLU N . 27618 1
194 . 1 1 48 48 ASN H H 1 8.235 0.010 . 1 . . . . . 43 ASN H . 27618 1
195 . 1 1 48 48 ASN C C 13 174.675 0.005 . 1 . . . . . 43 ASN C . 27618 1
196 . 1 1 48 48 ASN CA C 13 53.091 0.031 . 1 . . . . . 43 ASN CA . 27618 1
197 . 1 1 48 48 ASN CB C 13 38.887 0.039 . 1 . . . . . 43 ASN CB . 27618 1
198 . 1 1 48 48 ASN N N 15 119.473 0.020 . 1 . . . . . 43 ASN N . 27618 1
199 . 1 1 49 49 ASN H H 1 8.280 0.008 . 1 . . . . . 44 ASN H . 27618 1
200 . 1 1 49 49 ASN C C 13 175.078 0.015 . 1 . . . . . 44 ASN C . 27618 1
201 . 1 1 49 49 ASN CA C 13 53.089 0.045 . 1 . . . . . 44 ASN CA . 27618 1
202 . 1 1 49 49 ASN CB C 13 38.928 0.008 . 1 . . . . . 44 ASN CB . 27618 1
203 . 1 1 49 49 ASN N N 15 119.586 0.010 . 1 . . . . . 44 ASN N . 27618 1
204 . 1 1 50 50 TRP H H 1 8.145 0.008 . 1 . . . . . 45 TRP H . 27618 1
205 . 1 1 50 50 TRP C C 13 175.987 0.022 . 1 . . . . . 45 TRP C . 27618 1
206 . 1 1 50 50 TRP CA C 13 57.219 0.092 . 1 . . . . . 45 TRP CA . 27618 1
207 . 1 1 50 50 TRP CB C 13 29.472 0.044 . 1 . . . . . 45 TRP CB . 27618 1
208 . 1 1 50 50 TRP N N 15 121.673 0.016 . 1 . . . . . 45 TRP N . 27618 1
209 . 1 1 51 51 ASP H H 1 8.284 0.009 . 1 . . . . . 46 ASP H . 27618 1
210 . 1 1 51 51 ASP C C 13 175.949 0.016 . 1 . . . . . 46 ASP C . 27618 1
211 . 1 1 51 51 ASP CA C 13 54.221 0.012 . 1 . . . . . 46 ASP CA . 27618 1
212 . 1 1 51 51 ASP CB C 13 41.208 0.013 . 1 . . . . . 46 ASP CB . 27618 1
213 . 1 1 51 51 ASP N N 15 121.906 0.080 . 1 . . . . . 46 ASP N . 27618 1
214 . 1 1 52 52 ASP H H 1 8.184 0.009 . 1 . . . . . 47 ASP H . 27618 1
215 . 1 1 52 52 ASP C C 13 176.473 0.007 . 1 . . . . . 47 ASP C . 27618 1
216 . 1 1 52 52 ASP CA C 13 54.486 0.047 . 1 . . . . . 47 ASP CA . 27618 1
217 . 1 1 52 52 ASP CB C 13 41.270 0.038 . 1 . . . . . 47 ASP CB . 27618 1
218 . 1 1 52 52 ASP N N 15 121.114 0.062 . 1 . . . . . 47 ASP N . 27618 1
219 . 1 1 53 53 GLU H H 1 8.391 0.007 . 1 . . . . . 48 GLU H . 27618 1
220 . 1 1 53 53 GLU C C 13 176.290 0.018 . 1 . . . . . 48 GLU C . 27618 1
221 . 1 1 53 53 GLU CA C 13 56.631 0.016 . 1 . . . . . 48 GLU CA . 27618 1
222 . 1 1 53 53 GLU CB C 13 30.518 0.039 . 1 . . . . . 48 GLU CB . 27618 1
223 . 1 1 53 53 GLU N N 15 121.139 0.034 . 1 . . . . . 48 GLU N . 27618 1
224 . 1 1 54 54 ASP H H 1 8.489 0.008 . 1 . . . . . 49 ASP H . 27618 1
225 . 1 1 54 54 ASP C C 13 176.315 0.002 . 1 . . . . . 49 ASP C . 27618 1
226 . 1 1 54 54 ASP CA C 13 54.214 0.060 . 1 . . . . . 49 ASP CA . 27618 1
227 . 1 1 54 54 ASP CB C 13 41.167 0.016 . 1 . . . . . 49 ASP CB . 27618 1
228 . 1 1 54 54 ASP N N 15 122.075 0.066 . 1 . . . . . 49 ASP N . 27618 1
229 . 1 1 55 55 ILE H H 1 8.186 0.009 . 1 . . . . . 50 ILE H . 27618 1
230 . 1 1 55 55 ILE C C 13 176.961 0.005 . 1 . . . . . 50 ILE C . 27618 1
231 . 1 1 55 55 ILE CA C 13 61.384 0.076 . 1 . . . . . 50 ILE CA . 27618 1
232 . 1 1 55 55 ILE CB C 13 38.718 0.092 . 1 . . . . . 50 ILE CB . 27618 1
233 . 1 1 55 55 ILE N N 15 121.372 0.069 . 1 . . . . . 50 ILE N . 27618 1
234 . 1 1 56 56 GLY H H 1 8.535 0.008 . 1 . . . . . 51 GLY H . 27618 1
235 . 1 1 56 56 GLY C C 13 173.949 0.012 . 1 . . . . . 51 GLY C . 27618 1
236 . 1 1 56 56 GLY CA C 13 45.276 0.045 . 1 . . . . . 51 GLY CA . 27618 1
237 . 1 1 56 56 GLY N N 15 112.667 0.019 . 1 . . . . . 51 GLY N . 27618 1
238 . 1 1 57 57 ASP H H 1 8.359 0.008 . 1 . . . . . 52 ASP H . 27618 1
239 . 1 1 57 57 ASP C C 13 176.329 0.004 . 1 . . . . . 52 ASP C . 27618 1
240 . 1 1 57 57 ASP CA C 13 54.351 0.014 . 1 . . . . . 52 ASP CA . 27618 1
241 . 1 1 57 57 ASP CB C 13 41.492 0.009 . 1 . . . . . 52 ASP CB . 27618 1
242 . 1 1 57 57 ASP N N 15 120.572 0.033 . 1 . . . . . 52 ASP N . 27618 1
243 . 1 1 58 58 ASP H H 1 8.429 0.008 . 1 . . . . . 53 ASP H . 27618 1
244 . 1 1 58 58 ASP C C 13 176.065 0.010 . 1 . . . . . 53 ASP C . 27618 1
245 . 1 1 58 58 ASP CA C 13 54.449 0.014 . 1 . . . . . 53 ASP CA . 27618 1
246 . 1 1 58 58 ASP CB C 13 41.395 0.013 . 1 . . . . . 53 ASP CB . 27618 1
247 . 1 1 58 58 ASP N N 15 120.626 0.035 . 1 . . . . . 53 ASP N . 27618 1
248 . 1 1 59 59 ASP H H 1 8.369 0.008 . 1 . . . . . 54 ASP H . 27618 1
249 . 1 1 59 59 ASP C C 13 177.009 0.006 . 1 . . . . . 54 ASP C . 27618 1
250 . 1 1 59 59 ASP CA C 13 54.536 0.012 . 1 . . . . . 54 ASP CA . 27618 1
251 . 1 1 59 59 ASP CB C 13 41.059 0.011 . 1 . . . . . 54 ASP CB . 27618 1
252 . 1 1 59 59 ASP N N 15 120.481 0.020 . 1 . . . . . 54 ASP N . 27618 1
253 . 1 1 60 60 PHE H H 1 8.394 0.008 . 1 . . . . . 55 PHE H . 27618 1
254 . 1 1 60 60 PHE C C 13 176.892 0.015 . 1 . . . . . 55 PHE C . 27618 1
255 . 1 1 60 60 PHE CA C 13 59.293 0.039 . 1 . . . . . 55 PHE CA . 27618 1
256 . 1 1 60 60 PHE CB C 13 38.976 0.014 . 1 . . . . . 55 PHE CB . 27618 1
257 . 1 1 60 60 PHE N N 15 121.317 0.021 . 1 . . . . . 55 PHE N . 27618 1
258 . 1 1 61 61 SER H H 1 8.283 0.009 . 1 . . . . . 56 SER H . 27618 1
259 . 1 1 61 61 SER C C 13 175.905 0.000 . 1 . . . . . 56 SER C . 27618 1
260 . 1 1 61 61 SER CA C 13 60.157 0.007 . 1 . . . . . 56 SER CA . 27618 1
261 . 1 1 61 61 SER CB C 13 63.310 0.014 . 1 . . . . . 56 SER CB . 27618 1
262 . 1 1 61 61 SER N N 15 116.919 0.008 . 1 . . . . . 56 SER N . 27618 1
263 . 1 1 62 62 VAL H H 1 8.121 0.008 . 1 . . . . . 57 VAL H . 27618 1
264 . 1 1 62 62 VAL C C 13 178.041 0.001 . 1 . . . . . 57 VAL C . 27618 1
265 . 1 1 62 62 VAL CA C 13 64.737 0.098 . 1 . . . . . 57 VAL CA . 27618 1
266 . 1 1 62 62 VAL CB C 13 32.102 0.095 . 1 . . . . . 57 VAL CB . 27618 1
267 . 1 1 62 62 VAL N N 15 122.693 0.041 . 1 . . . . . 57 VAL N . 27618 1
268 . 1 1 63 63 GLN H H 1 8.280 0.009 . 1 . . . . . 58 GLN H . 27618 1
269 . 1 1 63 63 GLN C C 13 177.650 0.011 . 1 . . . . . 58 GLN C . 27618 1
270 . 1 1 63 63 GLN CA C 13 57.530 0.015 . 1 . . . . . 58 GLN CA . 27618 1
271 . 1 1 63 63 GLN CB C 13 28.620 0.035 . 1 . . . . . 58 GLN CB . 27618 1
272 . 1 1 63 63 GLN N N 15 121.989 0.035 . 1 . . . . . 58 GLN N . 27618 1
273 . 1 1 64 64 LEU H H 1 8.189 0.008 . 1 . . . . . 59 LEU H . 27618 1
274 . 1 1 64 64 LEU C C 13 178.865 0.009 . 1 . . . . . 59 LEU C . 27618 1
275 . 1 1 64 64 LEU CA C 13 56.975 0.018 . 1 . . . . . 59 LEU CA . 27618 1
276 . 1 1 64 64 LEU CB C 13 41.922 0.036 . 1 . . . . . 59 LEU CB . 27618 1
277 . 1 1 64 64 LEU N N 15 122.297 0.023 . 1 . . . . . 59 LEU N . 27618 1
278 . 1 1 65 65 GLN H H 1 8.221 0.009 . 1 . . . . . 60 GLN H . 27618 1
279 . 1 1 65 65 GLN C C 13 177.605 0.008 . 1 . . . . . 60 GLN C . 27618 1
280 . 1 1 65 65 GLN CA C 13 57.735 0.059 . 1 . . . . . 60 GLN CA . 27618 1
281 . 1 1 65 65 GLN CB C 13 28.766 0.036 . 1 . . . . . 60 GLN CB . 27618 1
282 . 1 1 65 65 GLN N N 15 118.964 0.018 . 1 . . . . . 60 GLN N . 27618 1
283 . 1 1 66 66 ALA H H 1 8.106 0.008 . 1 . . . . . 61 ALA H . 27618 1
284 . 1 1 66 66 ALA C C 13 179.654 0.007 . 1 . . . . . 61 ALA C . 27618 1
285 . 1 1 66 66 ALA CA C 13 54.228 0.048 . 1 . . . . . 61 ALA CA . 27618 1
286 . 1 1 66 66 ALA CB C 13 18.510 0.008 . 1 . . . . . 61 ALA CB . 27618 1
287 . 1 1 66 66 ALA N N 15 123.138 0.025 . 1 . . . . . 61 ALA N . 27618 1
288 . 1 1 67 67 GLU H H 1 8.209 0.008 . 1 . . . . . 62 GLU H . 27618 1
289 . 1 1 67 67 GLU C C 13 178.245 0.008 . 1 . . . . . 62 GLU C . 27618 1
290 . 1 1 67 67 GLU CA C 13 57.741 0.084 . 1 . . . . . 62 GLU CA . 27618 1
291 . 1 1 67 67 GLU CB C 13 29.726 0.040 . 1 . . . . . 62 GLU CB . 27618 1
292 . 1 1 67 67 GLU N N 15 119.361 0.057 . 1 . . . . . 62 GLU N . 27618 1
293 . 1 1 68 68 LEU H H 1 8.153 0.008 . 1 . . . . . 63 LEU H . 27618 1
294 . 1 1 68 68 LEU C C 13 178.863 0.007 . 1 . . . . . 63 LEU C . 27618 1
295 . 1 1 68 68 LEU CA C 13 56.507 0.000 . 1 . . . . . 63 LEU CA . 27618 1
296 . 1 1 68 68 LEU CB C 13 41.859 0.036 . 1 . . . . . 63 LEU CB . 27618 1
297 . 1 1 68 68 LEU N N 15 121.403 0.032 . 1 . . . . . 63 LEU N . 27618 1
298 . 1 1 69 69 LYS H H 1 8.028 0.009 . 1 . . . . . 64 LYS H . 27618 1
299 . 1 1 69 69 LYS C C 13 177.704 0.013 . 1 . . . . . 64 LYS C . 27618 1
300 . 1 1 69 69 LYS CA C 13 57.391 0.020 . 1 . . . . . 64 LYS CA . 27618 1
301 . 1 1 69 69 LYS CB C 13 32.740 0.031 . 1 . . . . . 64 LYS CB . 27618 1
302 . 1 1 69 69 LYS N N 15 120.356 0.064 . 1 . . . . . 64 LYS N . 27618 1
303 . 1 1 70 70 LYS H H 1 7.975 0.008 . 1 . . . . . 65 LYS H . 27618 1
304 . 1 1 70 70 LYS C C 13 177.282 0.002 . 1 . . . . . 65 LYS C . 27618 1
305 . 1 1 70 70 LYS CA C 13 57.428 0.089 . 1 . . . . . 65 LYS CA . 27618 1
306 . 1 1 70 70 LYS CB C 13 32.960 0.003 . 1 . . . . . 65 LYS CB . 27618 1
307 . 1 1 70 70 LYS N N 15 120.933 0.010 . 1 . . . . . 65 LYS N . 27618 1
308 . 1 1 71 71 LYS H H 1 8.158 0.008 . 1 . . . . . 66 LYS H . 27618 1
309 . 1 1 71 71 LYS C C 13 177.387 0.022 . 1 . . . . . 66 LYS C . 27618 1
310 . 1 1 71 71 LYS CA C 13 56.886 0.038 . 1 . . . . . 66 LYS CA . 27618 1
311 . 1 1 71 71 LYS CB C 13 33.180 0.002 . 1 . . . . . 66 LYS CB . 27618 1
312 . 1 1 71 71 LYS N N 15 121.059 0.016 . 1 . . . . . 66 LYS N . 27618 1
313 . 1 1 72 72 GLY H H 1 8.302 0.010 . 1 . . . . . 67 GLY H . 27618 1
314 . 1 1 72 72 GLY C C 13 174.126 0.009 . 1 . . . . . 67 GLY C . 27618 1
315 . 1 1 72 72 GLY CA C 13 45.331 0.060 . 1 . . . . . 67 GLY CA . 27618 1
316 . 1 1 72 72 GLY N N 15 109.581 0.080 . 1 . . . . . 67 GLY N . 27618 1
317 . 1 1 73 73 VAL H H 1 8.027 0.008 . 1 . . . . . 68 VAL H . 27618 1
318 . 1 1 73 73 VAL C C 13 176.088 0.003 . 1 . . . . . 68 VAL C . 27618 1
319 . 1 1 73 73 VAL CA C 13 62.040 0.049 . 1 . . . . . 68 VAL CA . 27618 1
320 . 1 1 73 73 VAL CB C 13 32.891 0.069 . 1 . . . . . 68 VAL CB . 27618 1
321 . 1 1 73 73 VAL N N 15 119.411 0.030 . 1 . . . . . 68 VAL N . 27618 1
322 . 1 1 74 74 ALA H H 1 8.477 0.007 . 1 . . . . . 69 ALA H . 27618 1
323 . 1 1 74 74 ALA C C 13 177.309 0.006 . 1 . . . . . 69 ALA C . 27618 1
324 . 1 1 74 74 ALA CA C 13 52.377 0.033 . 1 . . . . . 69 ALA CA . 27618 1
325 . 1 1 74 74 ALA CB C 13 19.375 0.009 . 1 . . . . . 69 ALA CB . 27618 1
326 . 1 1 74 74 ALA N N 15 128.210 0.017 . 1 . . . . . 69 ALA N . 27618 1
327 . 1 1 75 75 ALA H H 1 8.408 0.008 . 1 . . . . . 70 ALA H . 27618 1
328 . 1 1 75 75 ALA C C 13 176.750 0.011 . 1 . . . . . 70 ALA C . 27618 1
329 . 1 1 75 75 ALA CA C 13 52.431 0.019 . 1 . . . . . 70 ALA CA . 27618 1
330 . 1 1 75 75 ALA CB C 13 19.454 0.005 . 1 . . . . . 70 ALA CB . 27618 1
331 . 1 1 75 75 ALA N N 15 124.373 0.018 . 1 . . . . . 70 ALA N . 27618 1
332 . 1 1 76 76 ASN H H 1 8.050 0.008 . 1 . . . . . 71 ASN H . 27618 1
333 . 1 1 76 76 ASN C C 13 179.732 0.000 . 1 . . . . . 71 ASN C . 27618 1
334 . 1 1 76 76 ASN CA C 13 54.703 0.000 . 1 . . . . . 71 ASN CA . 27618 1
335 . 1 1 76 76 ASN CB C 13 40.400 0.000 . 1 . . . . . 71 ASN CB . 27618 1
336 . 1 1 76 76 ASN N N 15 123.381 0.003 . 1 . . . . . 71 ASN N . 27618 1
stop_
save_