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 27740
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_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' . . . 27740 1
2 '3D HNCO' . . . 27740 1
3 '3D HNCACB' . . . 27740 1
4 '3D CBCA(CO)NH' . . . 27740 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
3 $Analysis . . 27740 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 2 2 LYS C C 13 175.991 0.000 . 1 . . . . . 77 LYS C . 27740 1
2 . 1 . 1 2 2 LYS CA C 13 56.582 0.027 . 1 . . . . . 77 LYS CA . 27740 1
3 . 1 . 1 2 2 LYS CB C 13 33.298 0.023 . 1 . . . . . 77 LYS CB . 27740 1
4 . 1 . 1 3 3 ASP C C 13 176.420 0.000 . 1 . . . . . 78 ASP C . 27740 1
5 . 1 . 1 3 3 ASP CA C 13 54.826 0.029 . 1 . . . . . 78 ASP CA . 27740 1
6 . 1 . 1 3 3 ASP CB C 13 41.326 0.000 . 1 . . . . . 78 ASP CB . 27740 1
7 . 1 . 1 3 3 ASP H H 1 8.595 0.001 . 1 . . . . . 78 ASP H . 27740 1
8 . 1 . 1 3 3 ASP N N 15 122.308 0.009 . 1 . . . . . 78 ASP N . 27740 1
9 . 1 . 1 4 4 THR C C 13 174.590 0.000 . 1 . . . . . 79 THR C . 27740 1
10 . 1 . 1 4 4 THR CA C 13 62.091 0.006 . 1 . . . . . 79 THR CA . 27740 1
11 . 1 . 1 4 4 THR CB C 13 69.694 0.027 . 1 . . . . . 79 THR CB . 27740 1
12 . 1 . 1 4 4 THR H H 1 8.086 0.001 . 1 . . . . . 79 THR H . 27740 1
13 . 1 . 1 4 4 THR N N 15 113.335 0.010 . 1 . . . . . 79 THR N . 27740 1
14 . 1 . 1 5 5 ASP C C 13 176.723 0.000 . 1 . . . . . 80 ASP C . 27740 1
15 . 1 . 1 5 5 ASP CA C 13 54.908 0.000 . 1 . . . . . 80 ASP CA . 27740 1
16 . 1 . 1 5 5 ASP CB C 13 41.312 0.013 . 1 . . . . . 80 ASP CB . 27740 1
17 . 1 . 1 5 5 ASP H H 1 8.355 0.001 . 1 . . . . . 80 ASP H . 27740 1
18 . 1 . 1 5 5 ASP N N 15 122.859 0.008 . 1 . . . . . 80 ASP N . 27740 1
19 . 1 . 1 6 6 SER C C 13 175.391 0.000 . 1 . . . . . 81 SER C . 27740 1
20 . 1 . 1 6 6 SER CA C 13 59.161 0.034 . 1 . . . . . 81 SER CA . 27740 1
21 . 1 . 1 6 6 SER CB C 13 63.797 0.000 . 1 . . . . . 81 SER CB . 27740 1
22 . 1 . 1 6 6 SER H H 1 8.418 0.002 . 1 . . . . . 81 SER H . 27740 1
23 . 1 . 1 6 6 SER N N 15 116.740 0.014 . 1 . . . . . 81 SER N . 27740 1
24 . 1 . 1 7 7 GLU C C 13 177.873 0.000 . 1 . . . . . 82 GLU C . 27740 1
25 . 1 . 1 7 7 GLU CA C 13 58.864 0.056 . 1 . . . . . 82 GLU CA . 27740 1
26 . 1 . 1 7 7 GLU CB C 13 29.648 0.027 . 1 . . . . . 82 GLU CB . 27740 1
27 . 1 . 1 7 7 GLU H H 1 8.507 0.003 . 1 . . . . . 82 GLU H . 27740 1
28 . 1 . 1 7 7 GLU N N 15 122.742 0.018 . 1 . . . . . 82 GLU N . 27740 1
29 . 1 . 1 8 8 GLU C C 13 178.576 0.000 . 1 . . . . . 83 GLU C . 27740 1
30 . 1 . 1 8 8 GLU CA C 13 58.897 0.000 . 1 . . . . . 83 GLU CA . 27740 1
31 . 1 . 1 8 8 GLU CB C 13 29.407 0.132 . 1 . . . . . 83 GLU CB . 27740 1
32 . 1 . 1 8 8 GLU H H 1 8.332 0.002 . 1 . . . . . 83 GLU H . 27740 1
33 . 1 . 1 8 8 GLU N N 15 119.426 0.006 . 1 . . . . . 83 GLU N . 27740 1
34 . 1 . 1 9 9 GLU C C 13 178.601 0.000 . 1 . . . . . 84 GLU C . 27740 1
35 . 1 . 1 9 9 GLU CA C 13 62.649 0.000 . 1 . . . . . 84 GLU CA . 27740 1
36 . 1 . 1 9 9 GLU CB C 13 29.872 0.000 . 1 . . . . . 84 GLU CB . 27740 1
37 . 1 . 1 9 9 GLU H H 1 8.069 0.003 . 1 . . . . . 84 GLU H . 27740 1
38 . 1 . 1 9 9 GLU N N 15 119.009 0.013 . 1 . . . . . 84 GLU N . 27740 1
39 . 1 . 1 10 10 ILE C C 13 177.920 0.000 . 1 . . . . . 85 ILE C . 27740 1
40 . 1 . 1 10 10 ILE CA C 13 59.391 0.000 . 1 . . . . . 85 ILE CA . 27740 1
41 . 1 . 1 10 10 ILE CB C 13 37.314 0.067 . 1 . . . . . 85 ILE CB . 27740 1
42 . 1 . 1 10 10 ILE H H 1 7.879 0.004 . 1 . . . . . 85 ILE H . 27740 1
43 . 1 . 1 10 10 ILE N N 15 120.465 0.036 . 1 . . . . . 85 ILE N . 27740 1
44 . 1 . 1 11 11 ARG C C 13 179.223 0.000 . 1 . . . . . 86 ARG C . 27740 1
45 . 1 . 1 11 11 ARG CA C 13 59.967 0.015 . 1 . . . . . 86 ARG CA . 27740 1
46 . 1 . 1 11 11 ARG CB C 13 29.967 0.004 . 1 . . . . . 86 ARG CB . 27740 1
47 . 1 . 1 11 11 ARG H H 1 8.340 0.004 . 1 . . . . . 86 ARG H . 27740 1
48 . 1 . 1 11 11 ARG N N 15 121.056 0.013 . 1 . . . . . 86 ARG N . 27740 1
49 . 1 . 1 12 12 GLU C C 13 178.818 0.000 . 1 . . . . . 87 GLU C . 27740 1
50 . 1 . 1 12 12 GLU CA C 13 59.949 0.000 . 1 . . . . . 87 GLU CA . 27740 1
51 . 1 . 1 12 12 GLU CB C 13 29.362 0.067 . 1 . . . . . 87 GLU CB . 27740 1
52 . 1 . 1 12 12 GLU H H 1 8.036 0.001 . 1 . . . . . 87 GLU H . 27740 1
53 . 1 . 1 12 12 GLU N N 15 118.722 0.007 . 1 . . . . . 87 GLU N . 27740 1
54 . 1 . 1 13 13 ALA C C 13 178.790 0.000 . 1 . . . . . 88 ALA C . 27740 1
55 . 1 . 1 13 13 ALA CA C 13 55.395 0.040 . 1 . . . . . 88 ALA CA . 27740 1
56 . 1 . 1 13 13 ALA CB C 13 16.867 0.074 . 1 . . . . . 88 ALA CB . 27740 1
57 . 1 . 1 13 13 ALA H H 1 8.091 0.002 . 1 . . . . . 88 ALA H . 27740 1
58 . 1 . 1 13 13 ALA N N 15 122.025 0.013 . 1 . . . . . 88 ALA N . 27740 1
59 . 1 . 1 14 14 PHE C C 13 176.276 0.000 . 1 . . . . . 89 PHE C . 27740 1
60 . 1 . 1 14 14 PHE CA C 13 55.421 0.000 . 1 . . . . . 89 PHE CA . 27740 1
61 . 1 . 1 14 14 PHE CB C 13 39.006 0.040 . 1 . . . . . 89 PHE CB . 27740 1
62 . 1 . 1 14 14 PHE H H 1 8.485 0.004 . 1 . . . . . 89 PHE H . 27740 1
63 . 1 . 1 14 14 PHE N N 15 118.507 0.017 . 1 . . . . . 89 PHE N . 27740 1
64 . 1 . 1 15 15 ARG C C 13 178.007 0.000 . 1 . . . . . 90 ARG C . 27740 1
65 . 1 . 1 15 15 ARG CA C 13 58.532 0.030 . 1 . . . . . 90 ARG CA . 27740 1
66 . 1 . 1 15 15 ARG CB C 13 30.331 0.045 . 1 . . . . . 90 ARG CB . 27740 1
67 . 1 . 1 15 15 ARG H H 1 7.448 0.004 . 1 . . . . . 90 ARG H . 27740 1
68 . 1 . 1 15 15 ARG N N 15 114.592 0.018 . 1 . . . . . 90 ARG N . 27740 1
69 . 1 . 1 16 16 VAL C C 13 176.396 0.000 . 1 . . . . . 91 VAL C . 27740 1
70 . 1 . 1 16 16 VAL CA C 13 65.469 0.025 . 1 . . . . . 91 VAL CA . 27740 1
71 . 1 . 1 16 16 VAL CB C 13 31.273 0.000 . 1 . . . . . 91 VAL CB . 27740 1
72 . 1 . 1 16 16 VAL H H 1 7.391 0.003 . 1 . . . . . 91 VAL H . 27740 1
73 . 1 . 1 16 16 VAL N N 15 118.806 0.017 . 1 . . . . . 91 VAL N . 27740 1
74 . 1 . 1 17 17 PHE C C 13 175.739 0.000 . 1 . . . . . 92 PHE C . 27740 1
75 . 1 . 1 17 17 PHE CA C 13 60.746 0.116 . 1 . . . . . 92 PHE CA . 27740 1
76 . 1 . 1 17 17 PHE CB C 13 40.431 0.077 . 1 . . . . . 92 PHE CB . 27740 1
77 . 1 . 1 17 17 PHE H H 1 7.017 0.003 . 1 . . . . . 92 PHE H . 27740 1
78 . 1 . 1 17 17 PHE N N 15 115.364 0.022 . 1 . . . . . 92 PHE N . 27740 1
79 . 1 . 1 18 18 ASP C C 13 177.723 0.000 . 1 . . . . . 93 ASP C . 27740 1
80 . 1 . 1 18 18 ASP CA C 13 51.820 0.023 . 1 . . . . . 93 ASP CA . 27740 1
81 . 1 . 1 18 18 ASP CB C 13 38.066 0.034 . 1 . . . . . 93 ASP CB . 27740 1
82 . 1 . 1 18 18 ASP H H 1 7.769 0.009 . 1 . . . . . 93 ASP H . 27740 1
83 . 1 . 1 18 18 ASP N N 15 115.932 0.021 . 1 . . . . . 93 ASP N . 27740 1
84 . 1 . 1 19 19 LYS C C 13 178.149 0.000 . 1 . . . . . 94 LYS C . 27740 1
85 . 1 . 1 19 19 LYS CA C 13 59.287 0.090 . 1 . . . . . 94 LYS CA . 27740 1
86 . 1 . 1 19 19 LYS CB C 13 32.850 0.015 . 1 . . . . . 94 LYS CB . 27740 1
87 . 1 . 1 19 19 LYS H H 1 7.470 0.002 . 1 . . . . . 94 LYS H . 27740 1
88 . 1 . 1 19 19 LYS N N 15 125.622 0.011 . 1 . . . . . 94 LYS N . 27740 1
89 . 1 . 1 20 20 ASP C C 13 177.751 0.000 . 1 . . . . . 95 ASP C . 27740 1
90 . 1 . 1 20 20 ASP CA C 13 53.136 0.082 . 1 . . . . . 95 ASP CA . 27740 1
91 . 1 . 1 20 20 ASP CB C 13 39.829 0.050 . 1 . . . . . 95 ASP CB . 27740 1
92 . 1 . 1 20 20 ASP H H 1 8.345 0.003 . 1 . . . . . 95 ASP H . 27740 1
93 . 1 . 1 20 20 ASP N N 15 114.116 0.018 . 1 . . . . . 95 ASP N . 27740 1
94 . 1 . 1 21 21 GLY C C 13 175.181 0.000 . 1 . . . . . 96 GLY C . 27740 1
95 . 1 . 1 21 21 GLY CA C 13 47.152 0.001 . 1 . . . . . 96 GLY CA . 27740 1
96 . 1 . 1 21 21 GLY H H 1 7.826 0.002 . 1 . . . . . 96 GLY H . 27740 1
97 . 1 . 1 21 21 GLY N N 15 109.555 0.005 . 1 . . . . . 96 GLY N . 27740 1
98 . 1 . 1 22 22 ASN C C 13 176.045 0.000 . 1 . . . . . 97 ASN C . 27740 1
99 . 1 . 1 22 22 ASN CA C 13 52.823 0.050 . 1 . . . . . 97 ASN CA . 27740 1
100 . 1 . 1 22 22 ASN CB C 13 38.264 0.056 . 1 . . . . . 97 ASN CB . 27740 1
101 . 1 . 1 22 22 ASN H H 1 8.349 0.001 . 1 . . . . . 97 ASN H . 27740 1
102 . 1 . 1 22 22 ASN N N 15 119.894 0.011 . 1 . . . . . 97 ASN N . 27740 1
103 . 1 . 1 23 23 GLY C C 13 172.517 0.000 . 1 . . . . . 98 GLY C . 27740 1
104 . 1 . 1 23 23 GLY CA C 13 45.048 0.070 . 1 . . . . . 98 GLY CA . 27740 1
105 . 1 . 1 23 23 GLY H H 1 10.692 0.005 . 1 . . . . . 98 GLY H . 27740 1
106 . 1 . 1 23 23 GLY N N 15 113.065 0.013 . 1 . . . . . 98 GLY N . 27740 1
107 . 1 . 1 24 24 TYR C C 13 174.634 0.000 . 1 . . . . . 99 TYR C . 27740 1
108 . 1 . 1 24 24 TYR CA C 13 56.137 0.036 . 1 . . . . . 99 TYR CA . 27740 1
109 . 1 . 1 24 24 TYR CB C 13 42.968 0.053 . 1 . . . . . 99 TYR CB . 27740 1
110 . 1 . 1 24 24 TYR H H 1 7.642 0.001 . 1 . . . . . 99 TYR H . 27740 1
111 . 1 . 1 24 24 TYR N N 15 116.286 0.016 . 1 . . . . . 99 TYR N . 27740 1
112 . 1 . 1 25 25 ILE C C 13 175.540 0.000 . 1 . . . . . 100 ILE C . 27740 1
113 . 1 . 1 25 25 ILE CA C 13 61.029 0.046 . 1 . . . . . 100 ILE CA . 27740 1
114 . 1 . 1 25 25 ILE CB C 13 39.467 0.073 . 1 . . . . . 100 ILE CB . 27740 1
115 . 1 . 1 25 25 ILE H H 1 10.136 0.003 . 1 . . . . . 100 ILE H . 27740 1
116 . 1 . 1 25 25 ILE N N 15 127.449 0.023 . 1 . . . . . 100 ILE N . 27740 1
117 . 1 . 1 26 26 SER C C 13 175.136 0.000 . 1 . . . . . 101 SER C . 27740 1
118 . 1 . 1 26 26 SER CA C 13 55.734 0.002 . 1 . . . . . 101 SER CA . 27740 1
119 . 1 . 1 26 26 SER CB C 13 66.630 0.044 . 1 . . . . . 101 SER CB . 27740 1
120 . 1 . 1 26 26 SER H H 1 8.875 0.005 . 1 . . . . . 101 SER H . 27740 1
121 . 1 . 1 26 26 SER N N 15 123.862 0.013 . 1 . . . . . 101 SER N . 27740 1
122 . 1 . 1 27 27 ALA C C 13 179.295 0.000 . 1 . . . . . 102 ALA C . 27740 1
123 . 1 . 1 27 27 ALA CA C 13 55.916 0.049 . 1 . . . . . 102 ALA CA . 27740 1
124 . 1 . 1 27 27 ALA CB C 13 18.030 0.012 . 1 . . . . . 102 ALA CB . 27740 1
125 . 1 . 1 27 27 ALA H H 1 9.332 0.003 . 1 . . . . . 102 ALA H . 27740 1
126 . 1 . 1 27 27 ALA N N 15 123.378 0.009 . 1 . . . . . 102 ALA N . 27740 1
127 . 1 . 1 28 28 ALA C C 13 181.436 0.000 . 1 . . . . . 103 ALA C . 27740 1
128 . 1 . 1 28 28 ALA CA C 13 55.883 0.000 . 1 . . . . . 103 ALA CA . 27740 1
129 . 1 . 1 28 28 ALA CB C 13 18.406 0.064 . 1 . . . . . 103 ALA CB . 27740 1
130 . 1 . 1 28 28 ALA H H 1 8.297 0.002 . 1 . . . . . 103 ALA H . 27740 1
131 . 1 . 1 28 28 ALA N N 15 118.458 0.007 . 1 . . . . . 103 ALA N . 27740 1
132 . 1 . 1 29 29 GLU C C 13 178.225 0.000 . 1 . . . . . 104 GLU C . 27740 1
133 . 1 . 1 29 29 GLU CA C 13 59.684 0.049 . 1 . . . . . 104 GLU CA . 27740 1
134 . 1 . 1 29 29 GLU CB C 13 29.381 0.000 . 1 . . . . . 104 GLU CB . 27740 1
135 . 1 . 1 29 29 GLU H H 1 7.910 0.002 . 1 . . . . . 104 GLU H . 27740 1
136 . 1 . 1 29 29 GLU N N 15 119.848 0.011 . 1 . . . . . 104 GLU N . 27740 1
137 . 1 . 1 30 30 LEU C C 13 178.577 0.000 . 1 . . . . . 105 LEU C . 27740 1
138 . 1 . 1 30 30 LEU CA C 13 58.679 0.144 . 1 . . . . . 105 LEU CA . 27740 1
139 . 1 . 1 30 30 LEU CB C 13 41.860 0.022 . 1 . . . . . 105 LEU CB . 27740 1
140 . 1 . 1 30 30 LEU H H 1 8.575 0.002 . 1 . . . . . 105 LEU H . 27740 1
141 . 1 . 1 30 30 LEU N N 15 119.760 0.027 . 1 . . . . . 105 LEU N . 27740 1
142 . 1 . 1 31 31 ARG C C 13 176.177 0.000 . 1 . . . . . 106 ARG C . 27740 1
143 . 1 . 1 31 31 ARG CA C 13 58.535 0.000 . 1 . . . . . 106 ARG CA . 27740 1
144 . 1 . 1 31 31 ARG CB C 13 30.835 0.073 . 1 . . . . . 106 ARG CB . 27740 1
145 . 1 . 1 31 31 ARG H H 1 8.680 0.003 . 1 . . . . . 106 ARG H . 27740 1
146 . 1 . 1 31 31 ARG N N 15 116.765 0.008 . 1 . . . . . 106 ARG N . 27740 1
147 . 1 . 1 32 32 HIS CA C 13 59.926 0.000 . 1 . . . . . 107 HIS CA . 27740 1
148 . 1 . 1 32 32 HIS CB C 13 30.837 0.000 . 1 . . . . . 107 HIS CB . 27740 1
149 . 1 . 1 32 32 HIS H H 1 8.062 0.002 . 1 . . . . . 107 HIS H . 27740 1
150 . 1 . 1 32 32 HIS N N 15 119.247 0.034 . 1 . . . . . 107 HIS N . 27740 1
151 . 1 . 1 33 33 VAL C C 13 178.390 0.000 . 1 . . . . . 108 VAL C . 27740 1
152 . 1 . 1 33 33 VAL CA C 13 66.870 0.000 . 1 . . . . . 108 VAL CA . 27740 1
153 . 1 . 1 34 34 MET C C 13 178.781 0.000 . 1 . . . . . 109 MET C . 27740 1
154 . 1 . 1 34 34 MET CA C 13 58.604 0.033 . 1 . . . . . 109 MET CA . 27740 1
155 . 1 . 1 34 34 MET CB C 13 31.311 0.000 . 1 . . . . . 109 MET CB . 27740 1
156 . 1 . 1 34 34 MET H H 1 8.461 0.006 . 1 . . . . . 109 MET H . 27740 1
157 . 1 . 1 34 34 MET N N 15 116.077 0.012 . 1 . . . . . 109 MET N . 27740 1
158 . 1 . 1 35 35 THR C C 13 178.000 0.000 . 1 . . . . . 110 THR C . 27740 1
159 . 1 . 1 35 35 THR CA C 13 59.292 0.000 . 1 . . . . . 110 THR CA . 27740 1
160 . 1 . 1 35 35 THR CB C 13 66.866 0.000 . 1 . . . . . 110 THR CB . 27740 1
161 . 1 . 1 35 35 THR H H 1 7.896 0.004 . 1 . . . . . 110 THR H . 27740 1
162 . 1 . 1 35 35 THR N N 15 114.942 0.012 . 1 . . . . . 110 THR N . 27740 1
163 . 1 . 1 36 36 ASN C C 13 176.489 0.000 . 1 . . . . . 111 ASN C . 27740 1
164 . 1 . 1 36 36 ASN CA C 13 56.114 0.079 . 1 . . . . . 111 ASN CA . 27740 1
165 . 1 . 1 36 36 ASN CB C 13 38.580 0.094 . 1 . . . . . 111 ASN CB . 27740 1
166 . 1 . 1 36 36 ASN H H 1 7.895 0.010 . 1 . . . . . 111 ASN H . 27740 1
167 . 1 . 1 36 36 ASN N N 15 122.383 0.015 . 1 . . . . . 111 ASN N . 27740 1
168 . 1 . 1 37 37 LEU C C 13 176.764 0.000 . 1 . . . . . 112 LEU C . 27740 1
169 . 1 . 1 37 37 LEU CA C 13 56.116 0.000 . 1 . . . . . 112 LEU CA . 27740 1
170 . 1 . 1 37 37 LEU CB C 13 38.486 0.000 . 1 . . . . . 112 LEU CB . 27740 1
171 . 1 . 1 37 37 LEU H H 1 7.972 0.003 . 1 . . . . . 112 LEU H . 27740 1
172 . 1 . 1 37 37 LEU N N 15 118.531 0.022 . 1 . . . . . 112 LEU N . 27740 1
173 . 1 . 1 38 38 GLY C C 13 174.457 0.000 . 1 . . . . . 113 GLY C . 27740 1
174 . 1 . 1 38 38 GLY CA C 13 46.158 0.067 . 1 . . . . . 113 GLY CA . 27740 1
175 . 1 . 1 38 38 GLY H H 1 7.668 0.002 . 1 . . . . . 113 GLY H . 27740 1
176 . 1 . 1 38 38 GLY N N 15 105.972 0.022 . 1 . . . . . 113 GLY N . 27740 1
177 . 1 . 1 39 39 GLU C C 13 175.232 0.000 . 1 . . . . . 114 GLU C . 27740 1
178 . 1 . 1 39 39 GLU CA C 13 54.645 0.060 . 1 . . . . . 114 GLU CA . 27740 1
179 . 1 . 1 39 39 GLU CB C 13 30.474 0.106 . 1 . . . . . 114 GLU CB . 27740 1
180 . 1 . 1 39 39 GLU H H 1 8.069 0.002 . 1 . . . . . 114 GLU H . 27740 1
181 . 1 . 1 39 39 GLU N N 15 120.248 0.010 . 1 . . . . . 114 GLU N . 27740 1
182 . 1 . 1 40 40 LYS C C 13 175.363 0.000 . 1 . . . . . 115 LYS C . 27740 1
183 . 1 . 1 40 40 LYS CA C 13 55.711 0.003 . 1 . . . . . 115 LYS CA . 27740 1
184 . 1 . 1 40 40 LYS CB C 13 32.011 0.013 . 1 . . . . . 115 LYS CB . 27740 1
185 . 1 . 1 40 40 LYS H H 1 8.695 0.002 . 1 . . . . . 115 LYS H . 27740 1
186 . 1 . 1 40 40 LYS N N 15 124.921 0.010 . 1 . . . . . 115 LYS N . 27740 1
187 . 1 . 1 41 41 LEU C C 13 177.973 0.000 . 1 . . . . . 116 LEU C . 27740 1
188 . 1 . 1 41 41 LEU CA C 13 53.852 0.007 . 1 . . . . . 116 LEU CA . 27740 1
189 . 1 . 1 41 41 LEU CB C 13 45.254 0.019 . 1 . . . . . 116 LEU CB . 27740 1
190 . 1 . 1 41 41 LEU H H 1 8.192 0.002 . 1 . . . . . 116 LEU H . 27740 1
191 . 1 . 1 41 41 LEU N N 15 125.691 0.014 . 1 . . . . . 116 LEU N . 27740 1
192 . 1 . 1 42 42 THR C C 13 175.458 0.000 . 1 . . . . . 117 THR C . 27740 1
193 . 1 . 1 42 42 THR CA C 13 60.799 0.056 . 1 . . . . . 117 THR CA . 27740 1
194 . 1 . 1 42 42 THR CB C 13 71.153 0.044 . 1 . . . . . 117 THR CB . 27740 1
195 . 1 . 1 42 42 THR H H 1 9.343 0.002 . 1 . . . . . 117 THR H . 27740 1
196 . 1 . 1 42 42 THR N N 15 114.940 0.029 . 1 . . . . . 117 THR N . 27740 1
197 . 1 . 1 43 43 ASP C C 13 178.598 0.000 . 1 . . . . . 118 ASP C . 27740 1
198 . 1 . 1 43 43 ASP CA C 13 58.110 0.018 . 1 . . . . . 118 ASP CA . 27740 1
199 . 1 . 1 43 43 ASP CB C 13 39.674 0.000 . 1 . . . . . 118 ASP CB . 27740 1
200 . 1 . 1 43 43 ASP H H 1 8.923 0.001 . 1 . . . . . 118 ASP H . 27740 1
201 . 1 . 1 43 43 ASP N N 15 121.104 0.008 . 1 . . . . . 118 ASP N . 27740 1
202 . 1 . 1 44 44 GLU C C 13 179.173 0.000 . 1 . . . . . 119 GLU C . 27740 1
203 . 1 . 1 44 44 GLU CA C 13 59.966 0.026 . 1 . . . . . 119 GLU CA . 27740 1
204 . 1 . 1 44 44 GLU CB C 13 29.203 0.031 . 1 . . . . . 119 GLU CB . 27740 1
205 . 1 . 1 44 44 GLU H H 1 8.659 0.002 . 1 . . . . . 119 GLU H . 27740 1
206 . 1 . 1 44 44 GLU N N 15 119.104 0.012 . 1 . . . . . 119 GLU N . 27740 1
207 . 1 . 1 45 45 GLU C C 13 179.859 0.000 . 1 . . . . . 120 GLU C . 27740 1
208 . 1 . 1 45 45 GLU CA C 13 59.387 0.014 . 1 . . . . . 120 GLU CA . 27740 1
209 . 1 . 1 45 45 GLU CB C 13 29.204 0.000 . 1 . . . . . 120 GLU CB . 27740 1
210 . 1 . 1 45 45 GLU H H 1 7.802 0.001 . 1 . . . . . 120 GLU H . 27740 1
211 . 1 . 1 45 45 GLU N N 15 120.706 0.011 . 1 . . . . . 120 GLU N . 27740 1
212 . 1 . 1 46 46 VAL C C 13 177.294 0.000 . 1 . . . . . 121 VAL C . 27740 1
213 . 1 . 1 46 46 VAL CA C 13 59.398 0.000 . 1 . . . . . 121 VAL CA . 27740 1
214 . 1 . 1 46 46 VAL CB C 13 30.204 0.000 . 1 . . . . . 121 VAL CB . 27740 1
215 . 1 . 1 46 46 VAL H H 1 8.069 0.001 . 1 . . . . . 121 VAL H . 27740 1
216 . 1 . 1 46 46 VAL N N 15 120.471 0.014 . 1 . . . . . 121 VAL N . 27740 1
217 . 1 . 1 47 47 ASP C C 13 179.257 0.000 . 1 . . . . . 122 ASP C . 27740 1
218 . 1 . 1 47 47 ASP CA C 13 57.721 0.028 . 1 . . . . . 122 ASP CA . 27740 1
219 . 1 . 1 47 47 ASP CB C 13 40.493 0.039 . 1 . . . . . 122 ASP CB . 27740 1
220 . 1 . 1 47 47 ASP H H 1 8.095 0.002 . 1 . . . . . 122 ASP H . 27740 1
221 . 1 . 1 47 47 ASP N N 15 119.750 0.022 . 1 . . . . . 122 ASP N . 27740 1
222 . 1 . 1 48 48 GLU C C 13 177.999 0.000 . 1 . . . . . 123 GLU C . 27740 1
223 . 1 . 1 48 48 GLU CA C 13 59.122 0.034 . 1 . . . . . 123 GLU CA . 27740 1
224 . 1 . 1 48 48 GLU CB C 13 29.261 0.057 . 1 . . . . . 123 GLU CB . 27740 1
225 . 1 . 1 48 48 GLU H H 1 8.010 0.002 . 1 . . . . . 123 GLU H . 27740 1
226 . 1 . 1 48 48 GLU N N 15 119.591 0.014 . 1 . . . . . 123 GLU N . 27740 1
227 . 1 . 1 49 49 MET C C 13 179.048 0.000 . 1 . . . . . 124 MET C . 27740 1
228 . 1 . 1 49 49 MET CA C 13 59.535 0.041 . 1 . . . . . 124 MET CA . 27740 1
229 . 1 . 1 49 49 MET CB C 13 33.521 0.107 . 1 . . . . . 124 MET CB . 27740 1
230 . 1 . 1 49 49 MET H H 1 7.858 0.001 . 1 . . . . . 124 MET H . 27740 1
231 . 1 . 1 49 49 MET N N 15 119.723 0.011 . 1 . . . . . 124 MET N . 27740 1
232 . 1 . 1 50 50 ILE C C 13 177.080 0.000 . 1 . . . . . 125 ILE C . 27740 1
233 . 1 . 1 50 50 ILE CA C 13 63.623 0.000 . 1 . . . . . 125 ILE CA . 27740 1
234 . 1 . 1 50 50 ILE CB C 13 36.131 0.037 . 1 . . . . . 125 ILE CB . 27740 1
235 . 1 . 1 50 50 ILE H H 1 7.901 0.003 . 1 . . . . . 125 ILE H . 27740 1
236 . 1 . 1 50 50 ILE N N 15 117.908 0.025 . 1 . . . . . 125 ILE N . 27740 1
237 . 1 . 1 51 51 ARG C C 13 179.383 0.000 . 1 . . . . . 126 ARG C . 27740 1
238 . 1 . 1 51 51 ARG CA C 13 59.805 0.024 . 1 . . . . . 126 ARG CA . 27740 1
239 . 1 . 1 51 51 ARG CB C 13 30.271 0.030 . 1 . . . . . 126 ARG CB . 27740 1
240 . 1 . 1 51 51 ARG H H 1 8.233 0.003 . 1 . . . . . 126 ARG H . 27740 1
241 . 1 . 1 51 51 ARG N N 15 118.117 0.004 . 1 . . . . . 126 ARG N . 27740 1
242 . 1 . 1 52 52 GLU C C 13 177.281 0.000 . 1 . . . . . 127 GLU C . 27740 1
243 . 1 . 1 52 52 GLU CA C 13 58.513 0.027 . 1 . . . . . 127 GLU CA . 27740 1
244 . 1 . 1 52 52 GLU CB C 13 29.709 0.053 . 1 . . . . . 127 GLU CB . 27740 1
245 . 1 . 1 52 52 GLU H H 1 7.985 0.001 . 1 . . . . . 127 GLU H . 27740 1
246 . 1 . 1 52 52 GLU N N 15 116.148 0.009 . 1 . . . . . 127 GLU N . 27740 1
247 . 1 . 1 53 53 ALA C C 13 177.893 0.000 . 1 . . . . . 128 ALA C . 27740 1
248 . 1 . 1 53 53 ALA CA C 13 52.072 0.036 . 1 . . . . . 128 ALA CA . 27740 1
249 . 1 . 1 53 53 ALA CB C 13 21.192 0.045 . 1 . . . . . 128 ALA CB . 27740 1
250 . 1 . 1 53 53 ALA H H 1 7.270 0.005 . 1 . . . . . 128 ALA H . 27740 1
251 . 1 . 1 53 53 ALA N N 15 118.806 0.010 . 1 . . . . . 128 ALA N . 27740 1
252 . 1 . 1 54 54 ASP C C 13 175.964 0.000 . 1 . . . . . 129 ASP C . 27740 1
253 . 1 . 1 54 54 ASP CA C 13 54.267 0.078 . 1 . . . . . 129 ASP CA . 27740 1
254 . 1 . 1 54 54 ASP CB C 13 40.315 0.039 . 1 . . . . . 129 ASP CB . 27740 1
255 . 1 . 1 54 54 ASP H H 1 7.873 0.002 . 1 . . . . . 129 ASP H . 27740 1
256 . 1 . 1 54 54 ASP N N 15 117.784 0.017 . 1 . . . . . 129 ASP N . 27740 1
257 . 1 . 1 55 55 ILE C C 13 177.883 0.000 . 1 . . . . . 130 ILE C . 27740 1
258 . 1 . 1 55 55 ILE CA C 13 63.348 0.042 . 1 . . . . . 130 ILE CA . 27740 1
259 . 1 . 1 55 55 ILE CB C 13 38.498 0.047 . 1 . . . . . 130 ILE CB . 27740 1
260 . 1 . 1 55 55 ILE H H 1 8.362 0.002 . 1 . . . . . 130 ILE H . 27740 1
261 . 1 . 1 55 55 ILE N N 15 127.938 0.012 . 1 . . . . . 130 ILE N . 27740 1
262 . 1 . 1 56 56 ASP C C 13 178.276 0.000 . 1 . . . . . 131 ASP C . 27740 1
263 . 1 . 1 56 56 ASP CA C 13 53.902 0.033 . 1 . . . . . 131 ASP CA . 27740 1
264 . 1 . 1 56 56 ASP CB C 13 39.959 0.037 . 1 . . . . . 131 ASP CB . 27740 1
265 . 1 . 1 56 56 ASP H H 1 8.329 0.001 . 1 . . . . . 131 ASP H . 27740 1
266 . 1 . 1 56 56 ASP N N 15 116.661 0.008 . 1 . . . . . 131 ASP N . 27740 1
267 . 1 . 1 57 57 GLY C C 13 175.294 0.000 . 1 . . . . . 132 GLY C . 27740 1
268 . 1 . 1 57 57 GLY CA C 13 47.542 0.004 . 1 . . . . . 132 GLY CA . 27740 1
269 . 1 . 1 57 57 GLY H H 1 7.603 0.002 . 1 . . . . . 132 GLY H . 27740 1
270 . 1 . 1 57 57 GLY N N 15 108.618 0.011 . 1 . . . . . 132 GLY N . 27740 1
271 . 1 . 1 58 58 ASP C C 13 177.573 0.000 . 1 . . . . . 133 ASP C . 27740 1
272 . 1 . 1 58 58 ASP CA C 13 53.729 0.025 . 1 . . . . . 133 ASP CA . 27740 1
273 . 1 . 1 58 58 ASP CB C 13 40.188 0.029 . 1 . . . . . 133 ASP CB . 27740 1
274 . 1 . 1 58 58 ASP H H 1 8.344 0.001 . 1 . . . . . 133 ASP H . 27740 1
275 . 1 . 1 58 58 ASP N N 15 120.931 0.006 . 1 . . . . . 133 ASP N . 27740 1
276 . 1 . 1 59 59 GLY C C 13 172.810 0.000 . 1 . . . . . 134 GLY C . 27740 1
277 . 1 . 1 59 59 GLY CA C 13 45.785 0.023 . 1 . . . . . 134 GLY CA . 27740 1
278 . 1 . 1 59 59 GLY H H 1 10.362 0.002 . 1 . . . . . 134 GLY H . 27740 1
279 . 1 . 1 59 59 GLY N N 15 112.939 0.009 . 1 . . . . . 134 GLY N . 27740 1
280 . 1 . 1 60 60 GLN C C 13 174.694 0.000 . 1 . . . . . 135 GLN C . 27740 1
281 . 1 . 1 60 60 GLN CA C 13 53.232 0.009 . 1 . . . . . 135 GLN CA . 27740 1
282 . 1 . 1 60 60 GLN CB C 13 32.476 0.011 . 1 . . . . . 135 GLN CB . 27740 1
283 . 1 . 1 60 60 GLN H H 1 7.990 0.002 . 1 . . . . . 135 GLN H . 27740 1
284 . 1 . 1 60 60 GLN N N 15 115.523 0.006 . 1 . . . . . 135 GLN N . 27740 1
285 . 1 . 1 61 61 VAL C C 13 175.810 0.000 . 1 . . . . . 136 VAL C . 27740 1
286 . 1 . 1 61 61 VAL CA C 13 61.740 0.023 . 1 . . . . . 136 VAL CA . 27740 1
287 . 1 . 1 61 61 VAL CB C 13 33.893 0.038 . 1 . . . . . 136 VAL CB . 27740 1
288 . 1 . 1 61 61 VAL H H 1 9.178 0.002 . 1 . . . . . 136 VAL H . 27740 1
289 . 1 . 1 61 61 VAL N N 15 125.493 0.009 . 1 . . . . . 136 VAL N . 27740 1
290 . 1 . 1 62 62 ASN C C 13 174.939 0.000 . 1 . . . . . 137 ASN C . 27740 1
291 . 1 . 1 62 62 ASN CA C 13 51.099 0.028 . 1 . . . . . 137 ASN CA . 27740 1
292 . 1 . 1 62 62 ASN CB C 13 38.363 0.076 . 1 . . . . . 137 ASN CB . 27740 1
293 . 1 . 1 62 62 ASN H H 1 9.481 0.002 . 1 . . . . . 137 ASN H . 27740 1
294 . 1 . 1 62 62 ASN N N 15 129.095 0.008 . 1 . . . . . 137 ASN N . 27740 1
295 . 1 . 1 63 63 TYR C C 13 176.068 0.000 . 1 . . . . . 138 TYR C . 27740 1
296 . 1 . 1 63 63 TYR CA C 13 62.722 0.015 . 1 . . . . . 138 TYR CA . 27740 1
297 . 1 . 1 63 63 TYR CB C 13 37.616 0.078 . 1 . . . . . 138 TYR CB . 27740 1
298 . 1 . 1 63 63 TYR H H 1 8.467 0.002 . 1 . . . . . 138 TYR H . 27740 1
299 . 1 . 1 63 63 TYR N N 15 118.667 0.016 . 1 . . . . . 138 TYR N . 27740 1
300 . 1 . 1 64 64 GLU C C 13 180.599 0.000 . 1 . . . . . 139 GLU C . 27740 1
301 . 1 . 1 64 64 GLU CA C 13 60.424 0.037 . 1 . . . . . 139 GLU CA . 27740 1
302 . 1 . 1 64 64 GLU CB C 13 28.937 0.056 . 1 . . . . . 139 GLU CB . 27740 1
303 . 1 . 1 64 64 GLU H H 1 8.115 0.002 . 1 . . . . . 139 GLU H . 27740 1
304 . 1 . 1 64 64 GLU N N 15 118.493 0.011 . 1 . . . . . 139 GLU N . 27740 1
305 . 1 . 1 65 65 GLU C C 13 179.532 0.000 . 1 . . . . . 140 GLU C . 27740 1
306 . 1 . 1 65 65 GLU CA C 13 58.391 0.068 . 1 . . . . . 140 GLU CA . 27740 1
307 . 1 . 1 65 65 GLU CB C 13 29.826 0.080 . 1 . . . . . 140 GLU CB . 27740 1
308 . 1 . 1 65 65 GLU H H 1 8.761 0.001 . 1 . . . . . 140 GLU H . 27740 1
309 . 1 . 1 65 65 GLU N N 15 119.809 0.008 . 1 . . . . . 140 GLU N . 27740 1
310 . 1 . 1 66 66 PHE C C 13 176.702 0.000 . 1 . . . . . 141 PHE C . 27740 1
311 . 1 . 1 66 66 PHE CA C 13 61.776 0.032 . 1 . . . . . 141 PHE CA . 27740 1
312 . 1 . 1 66 66 PHE CB C 13 39.994 0.062 . 1 . . . . . 141 PHE CB . 27740 1
313 . 1 . 1 66 66 PHE H H 1 8.917 0.003 . 1 . . . . . 141 PHE H . 27740 1
314 . 1 . 1 66 66 PHE N N 15 124.928 0.006 . 1 . . . . . 141 PHE N . 27740 1
315 . 1 . 1 67 67 VAL C C 13 179.472 0.000 . 1 . . . . . 142 VAL C . 27740 1
316 . 1 . 1 67 67 VAL CA C 13 67.080 0.030 . 1 . . . . . 142 VAL CA . 27740 1
317 . 1 . 1 67 67 VAL CB C 13 31.620 0.019 . 1 . . . . . 142 VAL CB . 27740 1
318 . 1 . 1 67 67 VAL H H 1 8.642 0.002 . 1 . . . . . 142 VAL H . 27740 1
319 . 1 . 1 67 67 VAL N N 15 119.631 0.010 . 1 . . . . . 142 VAL N . 27740 1
320 . 1 . 1 68 68 GLN C C 13 177.811 0.000 . 1 . . . . . 143 GLN C . 27740 1
321 . 1 . 1 68 68 GLN CA C 13 58.888 0.022 . 1 . . . . . 143 GLN CA . 27740 1
322 . 1 . 1 68 68 GLN CB C 13 28.032 0.028 . 1 . . . . . 143 GLN CB . 27740 1
323 . 1 . 1 68 68 GLN H H 1 7.353 0.003 . 1 . . . . . 143 GLN H . 27740 1
324 . 1 . 1 68 68 GLN N N 15 118.068 0.009 . 1 . . . . . 143 GLN N . 27740 1
325 . 1 . 1 69 69 MET C C 13 177.492 0.000 . 1 . . . . . 144 MET C . 27740 1
326 . 1 . 1 69 69 MET CA C 13 58.470 0.076 . 1 . . . . . 144 MET CA . 27740 1
327 . 1 . 1 69 69 MET CB C 13 33.125 0.008 . 1 . . . . . 144 MET CB . 27740 1
328 . 1 . 1 69 69 MET H H 1 7.726 0.003 . 1 . . . . . 144 MET H . 27740 1
329 . 1 . 1 69 69 MET N N 15 119.482 0.005 . 1 . . . . . 144 MET N . 27740 1
330 . 1 . 1 70 70 MET C C 13 176.913 0.000 . 1 . . . . . 145 MET C . 27740 1
331 . 1 . 1 70 70 MET CA C 13 55.578 0.033 . 1 . . . . . 145 MET CA . 27740 1
332 . 1 . 1 70 70 MET CB C 13 31.809 0.024 . 1 . . . . . 145 MET CB . 27740 1
333 . 1 . 1 70 70 MET H H 1 7.851 0.002 . 1 . . . . . 145 MET H . 27740 1
334 . 1 . 1 70 70 MET N N 15 114.146 0.011 . 1 . . . . . 145 MET N . 27740 1
335 . 1 . 1 71 71 THR C C 13 174.109 0.000 . 1 . . . . . 146 THR C . 27740 1
336 . 1 . 1 71 71 THR CA C 13 61.951 0.051 . 1 . . . . . 146 THR CA . 27740 1
337 . 1 . 1 71 71 THR CB C 13 70.299 0.045 . 1 . . . . . 146 THR CB . 27740 1
338 . 1 . 1 71 71 THR H H 1 7.447 0.006 . 1 . . . . . 146 THR H . 27740 1
339 . 1 . 1 71 71 THR N N 15 109.604 0.013 . 1 . . . . . 146 THR N . 27740 1
340 . 1 . 1 72 72 ALA C C 13 176.451 0.000 . 1 . . . . . 147 ALA C . 27740 1
341 . 1 . 1 72 72 ALA CA C 13 53.103 0.033 . 1 . . . . . 147 ALA CA . 27740 1
342 . 1 . 1 72 72 ALA CB C 13 18.980 0.037 . 1 . . . . . 147 ALA CB . 27740 1
343 . 1 . 1 72 72 ALA H H 1 7.625 0.002 . 1 . . . . . 147 ALA H . 27740 1
344 . 1 . 1 72 72 ALA N N 15 127.455 0.010 . 1 . . . . . 147 ALA N . 27740 1
345 . 1 . 1 73 73 LYS CA C 13 57.396 0.000 . 1 . . . . . 148 LYS CA . 27740 1
346 . 1 . 1 73 73 LYS CB C 13 34.072 0.000 . 1 . . . . . 148 LYS CB . 27740 1
347 . 1 . 1 73 73 LYS H H 1 7.883 0.001 . 1 . . . . . 148 LYS H . 27740 1
348 . 1 . 1 73 73 LYS N N 15 125.875 0.008 . 1 . . . . . 148 LYS N . 27740 1
stop_
save_