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 26617
_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' . . . 26617 1
2 '3D HNCO' . . . 26617 1
3 '3D HNCA' . . . 26617 1
4 '3D HNCACB' . . . 26617 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.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 9 9 GLU H H 1 8.158 0.011 . 1 . . . . 23 Glu H . 26617 1
2 . 1 1 9 9 GLU CA C 13 59.674 0.047 . 1 . . . . 23 Glu CA . 26617 1
3 . 1 1 9 9 GLU CB C 13 29.327 0.022 . 1 . . . . 23 Glu CB . 26617 1
4 . 1 1 9 9 GLU N N 15 119.248 0.089 . 1 . . . . 23 Glu N . 26617 1
5 . 1 1 10 10 PHE H H 1 8.128 0.013 . 1 . . . . 24 Phe H . 26617 1
6 . 1 1 10 10 PHE CA C 13 60.841 0.090 . 1 . . . . 24 Phe CA . 26617 1
7 . 1 1 10 10 PHE CB C 13 38.341 0.064 . 1 . . . . 24 Phe CB . 26617 1
8 . 1 1 10 10 PHE N N 15 119.164 0.042 . 1 . . . . 24 Phe N . 26617 1
9 . 1 1 11 11 GLN H H 1 8.027 0.014 . 1 . . . . 25 Gln H . 26617 1
10 . 1 1 11 11 GLN C C 13 176.312 0.000 . 1 . . . . 25 Gln C . 26617 1
11 . 1 1 11 11 GLN CA C 13 59.848 0.081 . 1 . . . . 25 Gln CA . 26617 1
12 . 1 1 11 11 GLN CB C 13 28.066 0.105 . 1 . . . . 25 Gln CB . 26617 1
13 . 1 1 11 11 GLN N N 15 117.741 0.096 . 1 . . . . 25 Gln N . 26617 1
14 . 1 1 12 12 VAL H H 1 8.131 0.010 . 1 . . . . 26 Val H . 26617 1
15 . 1 1 12 12 VAL CA C 13 66.665 0.072 . 1 . . . . 26 Val CA . 26617 1
16 . 1 1 12 12 VAL CB C 13 30.881 0.000 . 1 . . . . 26 Val CB . 26617 1
17 . 1 1 12 12 VAL N N 15 118.367 0.123 . 1 . . . . 26 Val N . 26617 1
18 . 1 1 13 13 LEU H H 1 8.146 0.007 . 1 . . . . 27 Leu H . 26617 1
19 . 1 1 13 13 LEU C C 13 177.439 0.000 . 1 . . . . 27 Leu C . 26617 1
20 . 1 1 13 13 LEU CA C 13 57.991 0.088 . 1 . . . . 27 Leu CA . 26617 1
21 . 1 1 13 13 LEU CB C 13 41.383 0.000 . 1 . . . . 27 Leu CB . 26617 1
22 . 1 1 13 13 LEU N N 15 119.681 0.095 . 1 . . . . 27 Leu N . 26617 1
23 . 1 1 14 14 PHE H H 1 8.624 0.008 . 1 . . . . 28 Phe H . 26617 1
24 . 1 1 14 14 PHE C C 13 179.428 0.000 . 1 . . . . 28 Phe C . 26617 1
25 . 1 1 14 14 PHE CA C 13 59.773 0.065 . 1 . . . . 28 Phe CA . 26617 1
26 . 1 1 14 14 PHE CB C 13 37.791 0.165 . 1 . . . . 28 Phe CB . 26617 1
27 . 1 1 14 14 PHE N N 15 122.732 0.099 . 1 . . . . 28 Phe N . 26617 1
28 . 1 1 15 15 VAL H H 1 8.078 0.010 . 1 . . . . 29 Val H . 26617 1
29 . 1 1 15 15 VAL C C 13 176.361 0.000 . 1 . . . . 29 Val C . 26617 1
30 . 1 1 15 15 VAL CA C 13 66.880 0.071 . 1 . . . . 29 Val CA . 26617 1
31 . 1 1 15 15 VAL CB C 13 30.551 0.045 . 1 . . . . 29 Val CB . 26617 1
32 . 1 1 15 15 VAL N N 15 119.091 0.061 . 1 . . . . 29 Val N . 26617 1
33 . 1 1 16 16 LEU H H 1 8.609 0.009 . 1 . . . . 30 Leu H . 26617 1
34 . 1 1 16 16 LEU C C 13 177.635 0.000 . 1 . . . . 30 Leu C . 26617 1
35 . 1 1 16 16 LEU CA C 13 57.769 0.105 . 1 . . . . 30 Leu CA . 26617 1
36 . 1 1 16 16 LEU CB C 13 40.884 0.000 . 1 . . . . 30 Leu CB . 26617 1
37 . 1 1 16 16 LEU N N 15 118.271 0.074 . 1 . . . . 30 Leu N . 26617 1
38 . 1 1 17 17 THR H H 1 8.173 0.012 . 1 . . . . 31 Thr H . 26617 1
39 . 1 1 17 17 THR C C 13 179.929 0.000 . 1 . . . . 31 Thr C . 26617 1
40 . 1 1 17 17 THR CA C 13 68.852 0.092 . 1 . . . . 31 Thr CA . 26617 1
41 . 1 1 17 17 THR CB C 13 64.868 0.000 . 1 . . . . 31 Thr CB . 26617 1
42 . 1 1 17 17 THR N N 15 121.774 0.074 . 1 . . . . 31 Thr N . 26617 1
43 . 1 1 18 18 ILE H H 1 7.845 0.012 . 1 . . . . 32 Ile H . 26617 1
44 . 1 1 18 18 ILE C C 13 175.785 0.000 . 1 . . . . 32 Ile C . 26617 1
45 . 1 1 18 18 ILE CA C 13 64.420 0.053 . 1 . . . . 32 Ile CA . 26617 1
46 . 1 1 18 18 ILE CB C 13 35.460 0.034 . 1 . . . . 32 Ile CB . 26617 1
47 . 1 1 18 18 ILE N N 15 121.635 0.090 . 1 . . . . 32 Ile N . 26617 1
48 . 1 1 19 19 LEU H H 1 8.465 0.009 . 1 . . . . 33 Leu H . 26617 1
49 . 1 1 19 19 LEU C C 13 177.910 0.000 . 1 . . . . 33 Leu C . 26617 1
50 . 1 1 19 19 LEU CA C 13 58.128 0.076 . 1 . . . . 33 Leu CA . 26617 1
51 . 1 1 19 19 LEU CB C 13 41.104 0.060 . 1 . . . . 33 Leu CB . 26617 1
52 . 1 1 19 19 LEU N N 15 119.765 0.067 . 1 . . . . 33 Leu N . 26617 1
53 . 1 1 20 20 THR H H 1 8.321 0.012 . 1 . . . . 34 Thr H . 26617 1
54 . 1 1 20 20 THR C C 13 179.565 0.000 . 1 . . . . 34 Thr C . 26617 1
55 . 1 1 20 20 THR CA C 13 68.293 0.177 . 1 . . . . 34 Thr CA . 26617 1
56 . 1 1 20 20 THR CB C 13 67.162 0.000 . 1 . . . . 34 Thr CB . 26617 1
57 . 1 1 20 20 THR N N 15 120.465 0.106 . 1 . . . . 34 Thr N . 26617 1
58 . 1 1 21 21 LEU H H 1 8.492 0.012 . 1 . . . . 35 Leu H . 26617 1
59 . 1 1 21 21 LEU C C 13 178.733 0.000 . 1 . . . . 35 Leu C . 26617 1
60 . 1 1 21 21 LEU CA C 13 58.039 0.066 . 1 . . . . 35 Leu CA . 26617 1
61 . 1 1 21 21 LEU CB C 13 40.368 0.000 . 1 . . . . 35 Leu CB . 26617 1
62 . 1 1 21 21 LEU N N 15 126.062 0.084 . 1 . . . . 35 Leu N . 26617 1
63 . 1 1 22 22 ILE H H 1 8.975 0.010 . 1 . . . . 36 Ile H . 26617 1
64 . 1 1 22 22 ILE C C 13 180.044 0.000 . 1 . . . . 36 Ile C . 26617 1
65 . 1 1 22 22 ILE CA C 13 65.191 0.133 . 1 . . . . 36 Ile CA . 26617 1
66 . 1 1 22 22 ILE CB C 13 36.375 0.000 . 1 . . . . 36 Ile CB . 26617 1
67 . 1 1 22 22 ILE N N 15 122.887 0.099 . 1 . . . . 36 Ile N . 26617 1
68 . 1 1 23 23 SER H H 1 8.132 0.011 . 1 . . . . 37 Ser H . 26617 1
69 . 1 1 23 23 SER C C 13 176.798 0.000 . 1 . . . . 37 Ser C . 26617 1
70 . 1 1 23 23 SER CA C 13 63.885 0.044 . 1 . . . . 37 Ser CA . 26617 1
71 . 1 1 23 23 SER CB C 13 62.511 0.000 . 1 . . . . 37 Ser CB . 26617 1
72 . 1 1 23 23 SER N N 15 117.293 0.101 . 1 . . . . 37 Ser N . 26617 1
73 . 1 1 24 24 GLY H H 1 7.640 0.023 . 1 . . . . 38 Gly H . 26617 1
74 . 1 1 24 24 GLY C C 13 175.413 0.000 . 1 . . . . 38 Gly C . 26617 1
75 . 1 1 24 24 GLY CA C 13 46.858 0.015 . 1 . . . . 38 Gly CA . 26617 1
76 . 1 1 24 24 GLY N N 15 107.746 0.077 . 1 . . . . 38 Gly N . 26617 1
77 . 1 1 25 25 THR H H 1 8.104 0.017 . 1 . . . . 39 Thr H . 26617 1
78 . 1 1 25 25 THR CA C 13 54.362 0.000 . 1 . . . . 39 Thr CA . 26617 1
79 . 1 1 25 25 THR N N 15 118.371 0.081 . 1 . . . . 39 Thr N . 26617 1
80 . 1 1 26 26 ILE H H 1 8.276 0.007 . 1 . . . . 40 Ile H . 26617 1
81 . 1 1 26 26 ILE C C 13 176.728 0.000 . 1 . . . . 40 Ile C . 26617 1
82 . 1 1 26 26 ILE CA C 13 64.973 0.092 . 1 . . . . 40 Ile CA . 26617 1
83 . 1 1 26 26 ILE CB C 13 37.021 0.034 . 1 . . . . 40 Ile CB . 26617 1
84 . 1 1 26 26 ILE N N 15 120.347 0.091 . 1 . . . . 40 Ile N . 26617 1
85 . 1 1 27 27 PHE H H 1 8.101 0.009 . 1 . . . . 41 Phe H . 26617 1
86 . 1 1 27 27 PHE C C 13 177.517 0.000 . 1 . . . . 41 Phe C . 26617 1
87 . 1 1 27 27 PHE CA C 13 62.992 0.069 . 1 . . . . 41 Phe CA . 26617 1
88 . 1 1 27 27 PHE CB C 13 38.620 0.030 . 1 . . . . 41 Phe CB . 26617 1
89 . 1 1 27 27 PHE N N 15 122.300 0.095 . 1 . . . . 41 Phe N . 26617 1
90 . 1 1 28 28 TYR H H 1 9.003 0.010 . 1 . . . . 42 Tyr H . 26617 1
91 . 1 1 28 28 TYR C C 13 176.572 0.000 . 1 . . . . 42 Tyr C . 26617 1
92 . 1 1 28 28 TYR CA C 13 62.638 0.101 . 1 . . . . 42 Tyr CA . 26617 1
93 . 1 1 28 28 TYR N N 15 116.602 0.176 . 1 . . . . 42 Tyr N . 26617 1
94 . 1 1 29 29 SER H H 1 7.753 0.014 . 1 . . . . 43 Ser H . 26617 1
95 . 1 1 29 29 SER C C 13 178.261 0.000 . 1 . . . . 43 Ser C . 26617 1
96 . 1 1 29 29 SER CA C 13 60.872 0.124 . 1 . . . . 43 Ser CA . 26617 1
97 . 1 1 29 29 SER CB C 13 63.877 0.084 . 1 . . . . 43 Ser CB . 26617 1
98 . 1 1 29 29 SER N N 15 114.480 0.067 . 1 . . . . 43 Ser N . 26617 1
99 . 1 1 30 30 THR H H 1 7.371 0.010 . 1 . . . . 44 Thr H . 26617 1
100 . 1 1 30 30 THR C C 13 175.267 0.000 . 1 . . . . 44 Thr C . 26617 1
101 . 1 1 30 30 THR CA C 13 64.673 0.071 . 1 . . . . 44 Thr CA . 26617 1
102 . 1 1 30 30 THR CB C 13 68.805 0.075 . 1 . . . . 44 Thr CB . 26617 1
103 . 1 1 30 30 THR N N 15 113.479 0.080 . 1 . . . . 44 Thr N . 26617 1
104 . 1 1 31 31 VAL H H 1 8.142 0.007 . 1 . . . . 45 Val H . 26617 1
105 . 1 1 31 31 VAL CA C 13 65.050 0.129 . 1 . . . . 45 Val CA . 26617 1
106 . 1 1 31 31 VAL CB C 13 30.985 0.000 . 1 . . . . 45 Val CB . 26617 1
107 . 1 1 31 31 VAL N N 15 120.515 0.069 . 1 . . . . 45 Val N . 26617 1
108 . 1 1 32 32 GLU H H 1 6.401 0.012 . 1 . . . . 46 Glu H . 26617 1
109 . 1 1 32 32 GLU C C 13 176.263 0.000 . 1 . . . . 46 Glu C . 26617 1
110 . 1 1 32 32 GLU CA C 13 55.500 0.067 . 1 . . . . 46 Glu CA . 26617 1
111 . 1 1 32 32 GLU CB C 13 29.282 0.000 . 1 . . . . 46 Glu CB . 26617 1
112 . 1 1 32 32 GLU N N 15 112.811 0.097 . 1 . . . . 46 Glu N . 26617 1
113 . 1 1 33 33 GLY H H 1 6.705 0.012 . 1 . . . . 47 Gly H . 26617 1
114 . 1 1 33 33 GLY C C 13 176.727 0.000 . 1 . . . . 47 Gly C . 26617 1
115 . 1 1 33 33 GLY CA C 13 46.361 0.071 . 1 . . . . 47 Gly CA . 26617 1
116 . 1 1 33 33 GLY N N 15 105.969 0.086 . 1 . . . . 47 Gly N . 26617 1
117 . 1 1 34 34 LEU H H 1 7.097 0.009 . 1 . . . . 48 Leu H . 26617 1
118 . 1 1 34 34 LEU C C 13 173.992 0.000 . 1 . . . . 48 Leu C . 26617 1
119 . 1 1 34 34 LEU CA C 13 54.061 0.078 . 1 . . . . 48 Leu CA . 26617 1
120 . 1 1 34 34 LEU CB C 13 42.446 0.073 . 1 . . . . 48 Leu CB . 26617 1
121 . 1 1 34 34 LEU N N 15 119.303 0.111 . 1 . . . . 48 Leu N . 26617 1
122 . 1 1 35 35 ARG H H 1 8.903 0.014 . 1 . . . . 49 Arg H . 26617 1
123 . 1 1 35 35 ARG C C 13 177.448 0.000 . 1 . . . . 49 Arg C . 26617 1
124 . 1 1 35 35 ARG CA C 13 55.148 0.036 . 1 . . . . 49 Arg CA . 26617 1
125 . 1 1 35 35 ARG CB C 13 29.385 0.052 . 1 . . . . 49 Arg CB . 26617 1
126 . 1 1 35 35 ARG N N 15 122.047 0.153 . 1 . . . . 49 Arg N . 26617 1
127 . 1 1 37 37 ILE H H 1 8.420 0.012 . 1 . . . . 51 Ile H . 26617 1
128 . 1 1 37 37 ILE C C 13 177.233 0.000 . 1 . . . . 51 Ile C . 26617 1
129 . 1 1 37 37 ILE CA C 13 63.515 0.076 . 1 . . . . 51 Ile CA . 26617 1
130 . 1 1 37 37 ILE CB C 13 36.652 0.000 . 1 . . . . 51 Ile CB . 26617 1
131 . 1 1 37 37 ILE N N 15 114.764 0.094 . 1 . . . . 51 Ile N . 26617 1
132 . 1 1 38 38 ASP H H 1 6.719 0.013 . 1 . . . . 52 Asp H . 26617 1
133 . 1 1 38 38 ASP C C 13 175.324 0.000 . 1 . . . . 52 Asp C . 26617 1
134 . 1 1 38 38 ASP CA C 13 56.846 0.077 . 1 . . . . 52 Asp CA . 26617 1
135 . 1 1 38 38 ASP CB C 13 40.172 0.094 . 1 . . . . 52 Asp CB . 26617 1
136 . 1 1 38 38 ASP N N 15 123.492 0.104 . 1 . . . . 52 Asp N . 26617 1
137 . 1 1 39 39 ALA H H 1 8.430 0.009 . 1 . . . . 53 Ala H . 26617 1
138 . 1 1 39 39 ALA C C 13 177.535 0.000 . 1 . . . . 53 Ala C . 26617 1
139 . 1 1 39 39 ALA CA C 13 54.437 0.132 . 1 . . . . 53 Ala CA . 26617 1
140 . 1 1 39 39 ALA N N 15 124.463 0.038 . 1 . . . . 53 Ala N . 26617 1
141 . 1 1 40 40 LEU H H 1 8.620 0.013 . 1 . . . . 54 Leu H . 26617 1
142 . 1 1 40 40 LEU C C 13 179.536 0.000 . 1 . . . . 54 Leu C . 26617 1
143 . 1 1 40 40 LEU CA C 13 57.824 0.111 . 1 . . . . 54 Leu CA . 26617 1
144 . 1 1 40 40 LEU CB C 13 39.480 0.000 . 1 . . . . 54 Leu CB . 26617 1
145 . 1 1 40 40 LEU N N 15 123.715 0.084 . 1 . . . . 54 Leu N . 26617 1
146 . 1 1 41 41 TYR H H 1 8.421 0.011 . 1 . . . . 55 Tyr H . 26617 1
147 . 1 1 41 41 TYR C C 13 177.684 0.000 . 1 . . . . 55 Tyr C . 26617 1
148 . 1 1 41 41 TYR CA C 13 63.053 0.076 . 1 . . . . 55 Tyr CA . 26617 1
149 . 1 1 41 41 TYR N N 15 120.407 0.077 . 1 . . . . 55 Tyr N . 26617 1
150 . 1 1 42 42 PHE H H 1 8.895 0.010 . 1 . . . . 56 Phe H . 26617 1
151 . 1 1 42 42 PHE C C 13 176.135 0.000 . 1 . . . . 56 Phe C . 26617 1
152 . 1 1 42 42 PHE CA C 13 61.505 0.066 . 1 . . . . 56 Phe CA . 26617 1
153 . 1 1 42 42 PHE N N 15 118.553 0.129 . 1 . . . . 56 Phe N . 26617 1
154 . 1 1 44 44 VAL H H 1 7.968 0.005 . 1 . . . . 58 Val H . 26617 1
155 . 1 1 44 44 VAL C C 13 174.829 0.000 . 1 . . . . 58 Val C . 26617 1
156 . 1 1 44 44 VAL CA C 13 59.771 0.000 . 1 . . . . 58 Val CA . 26617 1
157 . 1 1 44 44 VAL N N 15 119.000 0.060 . 1 . . . . 58 Val N . 26617 1
158 . 1 1 45 45 VAL H H 1 8.504 0.006 . 1 . . . . 59 Val H . 26617 1
159 . 1 1 45 45 VAL C C 13 178.707 0.000 . 1 . . . . 59 Val C . 26617 1
160 . 1 1 45 45 VAL CA C 13 64.829 0.123 . 1 . . . . 59 Val CA . 26617 1
161 . 1 1 45 45 VAL N N 15 114.091 0.096 . 1 . . . . 59 Val N . 26617 1
162 . 1 1 46 46 THR H H 1 7.637 0.003 . 1 . . . . 60 Thr H . 26617 1
163 . 1 1 46 46 THR C C 13 174.863 0.000 . 1 . . . . 60 Thr C . 26617 1
164 . 1 1 46 46 THR CA C 13 64.981 0.000 . 1 . . . . 60 Thr CA . 26617 1
165 . 1 1 46 46 THR N N 15 120.745 0.096 . 1 . . . . 60 Thr N . 26617 1
166 . 1 1 50 50 VAL H H 1 7.446 0.008 . 1 . . . . 64 Val H . 26617 1
167 . 1 1 50 50 VAL C C 13 183.294 0.000 . 1 . . . . 64 Val C . 26617 1
168 . 1 1 50 50 VAL CA C 13 66.013 0.228 . 1 . . . . 64 Val CA . 26617 1
169 . 1 1 50 50 VAL N N 15 124.538 0.159 . 1 . . . . 64 Val N . 26617 1
170 . 1 1 51 51 GLY H H 1 7.616 0.021 . 1 . . . . 65 Gly H . 26617 1
171 . 1 1 51 51 GLY CA C 13 43.848 0.273 . 1 . . . . 65 Gly CA . 26617 1
172 . 1 1 51 51 GLY N N 15 102.155 0.083 . 1 . . . . 65 Gly N . 26617 1
173 . 1 1 52 52 ASP H H 1 8.757 0.026 . 1 . . . . 66 Asp H . 26617 1
174 . 1 1 52 52 ASP C C 13 177.635 0.000 . 1 . . . . 66 Asp C . 26617 1
175 . 1 1 52 52 ASP CA C 13 54.304 0.000 . 1 . . . . 66 Asp CA . 26617 1
176 . 1 1 52 52 ASP N N 15 118.187 0.076 . 1 . . . . 66 Asp N . 26617 1
177 . 1 1 53 53 GLY H H 1 8.692 0.006 . 1 . . . . 67 Gly H . 26617 1
178 . 1 1 53 53 GLY C C 13 176.477 0.000 . 1 . . . . 67 Gly C . 26617 1
179 . 1 1 53 53 GLY CA C 13 46.058 0.068 . 1 . . . . 67 Gly CA . 26617 1
180 . 1 1 53 53 GLY N N 15 112.368 0.036 . 1 . . . . 67 Gly N . 26617 1
181 . 1 1 55 55 PHE H H 1 7.998 0.019 . 1 . . . . 69 Phe H . 26617 1
182 . 1 1 55 55 PHE C C 13 176.324 0.000 . 1 . . . . 69 Phe C . 26617 1
183 . 1 1 55 55 PHE CA C 13 57.711 0.028 . 1 . . . . 69 Phe CA . 26617 1
184 . 1 1 55 55 PHE CB C 13 40.740 0.086 . 1 . . . . 69 Phe CB . 26617 1
185 . 1 1 55 55 PHE N N 15 120.732 0.131 . 1 . . . . 69 Phe N . 26617 1
186 . 1 1 56 56 SER H H 1 6.465 0.006 . 1 . . . . 70 Ser H . 26617 1
187 . 1 1 56 56 SER C C 13 184.399 0.000 . 1 . . . . 70 Ser C . 26617 1
188 . 1 1 56 56 SER CA C 13 55.850 0.062 . 1 . . . . 70 Ser CA . 26617 1
189 . 1 1 56 56 SER CB C 13 63.618 0.000 . 1 . . . . 70 Ser CB . 26617 1
190 . 1 1 56 56 SER N N 15 117.945 0.240 . 1 . . . . 70 Ser N . 26617 1
191 . 1 1 59 59 THR H H 1 9.513 0.024 . 1 . . . . 73 Thr H . 26617 1
192 . 1 1 59 59 THR C C 13 177.578 0.000 . 1 . . . . 73 Thr C . 26617 1
193 . 1 1 59 59 THR CA C 13 60.437 0.086 . 1 . . . . 73 Thr CA . 26617 1
194 . 1 1 59 59 THR CB C 13 71.464 0.071 . 1 . . . . 73 Thr CB . 26617 1
195 . 1 1 59 59 THR N N 15 115.445 0.153 . 1 . . . . 73 Thr N . 26617 1
196 . 1 1 60 60 ASP H H 1 8.891 0.015 . 1 . . . . 74 Asp H . 26617 1
197 . 1 1 60 60 ASP C C 13 175.197 0.000 . 1 . . . . 74 Asp C . 26617 1
198 . 1 1 60 60 ASP CA C 13 58.014 0.062 . 1 . . . . 74 Asp CA . 26617 1
199 . 1 1 60 60 ASP N N 15 125.244 0.223 . 1 . . . . 74 Asp N . 26617 1
200 . 1 1 61 61 PHE H H 1 8.591 0.011 . 1 . . . . 75 Phe H . 26617 1
201 . 1 1 61 61 PHE C C 13 178.799 0.000 . 1 . . . . 75 Phe C . 26617 1
202 . 1 1 61 61 PHE CA C 13 58.963 0.073 . 1 . . . . 75 Phe CA . 26617 1
203 . 1 1 61 61 PHE CB C 13 38.425 0.000 . 1 . . . . 75 Phe CB . 26617 1
204 . 1 1 61 61 PHE N N 15 118.959 0.076 . 1 . . . . 75 Phe N . 26617 1
205 . 1 1 62 62 GLY H H 1 8.939 0.012 . 1 . . . . 76 Gly H . 26617 1
206 . 1 1 62 62 GLY C C 13 177.516 0.000 . 1 . . . . 76 Gly C . 26617 1
207 . 1 1 62 62 GLY CA C 13 46.731 0.094 . 1 . . . . 76 Gly CA . 26617 1
208 . 1 1 62 62 GLY N N 15 108.625 0.109 . 1 . . . . 76 Gly N . 26617 1
209 . 1 1 63 63 LYS H H 1 8.494 0.017 . 1 . . . . 77 Lys H . 26617 1
210 . 1 1 63 63 LYS C C 13 177.779 0.000 . 1 . . . . 77 Lys C . 26617 1
211 . 1 1 63 63 LYS CA C 13 61.172 0.054 . 1 . . . . 77 Lys CA . 26617 1
212 . 1 1 63 63 LYS CB C 13 32.570 0.028 . 1 . . . . 77 Lys CB . 26617 1
213 . 1 1 63 63 LYS N N 15 127.045 0.094 . 1 . . . . 77 Lys N . 26617 1
214 . 1 1 64 64 ILE H H 1 8.180 0.012 . 1 . . . . 78 Ile H . 26617 1
215 . 1 1 64 64 ILE CA C 13 64.335 0.087 . 1 . . . . 78 Ile CA . 26617 1
216 . 1 1 64 64 ILE CB C 13 36.465 0.000 . 1 . . . . 78 Ile CB . 26617 1
217 . 1 1 64 64 ILE N N 15 118.780 0.134 . 1 . . . . 78 Ile N . 26617 1
218 . 1 1 65 65 PHE H H 1 8.923 0.013 . 1 . . . . 79 Phe H . 26617 1
219 . 1 1 65 65 PHE C C 13 177.178 0.000 . 1 . . . . 79 Phe C . 26617 1
220 . 1 1 65 65 PHE CA C 13 62.165 0.100 . 1 . . . . 79 Phe CA . 26617 1
221 . 1 1 65 65 PHE N N 15 119.166 0.072 . 1 . . . . 79 Phe N . 26617 1
222 . 1 1 68 68 LEU H H 1 7.085 0.009 . 1 . . . . 82 Leu H . 26617 1
223 . 1 1 68 68 LEU C C 13 175.586 0.000 . 1 . . . . 82 Leu C . 26617 1
224 . 1 1 68 68 LEU CA C 13 57.885 0.029 . 1 . . . . 82 Leu CA . 26617 1
225 . 1 1 68 68 LEU CB C 13 41.093 0.000 . 1 . . . . 82 Leu CB . 26617 1
226 . 1 1 68 68 LEU N N 15 117.501 0.077 . 1 . . . . 82 Leu N . 26617 1
227 . 1 1 69 69 TYR H H 1 8.751 0.009 . 1 . . . . 83 Tyr H . 26617 1
228 . 1 1 69 69 TYR C C 13 176.563 0.000 . 1 . . . . 83 Tyr C . 26617 1
229 . 1 1 69 69 TYR CA C 13 60.023 0.196 . 1 . . . . 83 Tyr CA . 26617 1
230 . 1 1 69 69 TYR N N 15 120.168 0.048 . 1 . . . . 83 Tyr N . 26617 1
231 . 1 1 70 70 ILE H H 1 8.148 0.004 . 1 . . . . 84 Ile H . 26617 1
232 . 1 1 70 70 ILE C C 13 177.378 0.000 . 1 . . . . 84 Ile C . 26617 1
233 . 1 1 70 70 ILE CA C 13 65.362 0.117 . 1 . . . . 84 Ile CA . 26617 1
234 . 1 1 70 70 ILE N N 15 117.079 0.174 . 1 . . . . 84 Ile N . 26617 1
235 . 1 1 71 71 PHE H H 1 7.186 0.016 . 1 . . . . 85 Phe H . 26617 1
236 . 1 1 71 71 PHE C C 13 176.659 0.000 . 1 . . . . 85 Phe C . 26617 1
237 . 1 1 71 71 PHE CA C 13 62.782 0.061 . 1 . . . . 85 Phe CA . 26617 1
238 . 1 1 71 71 PHE CB C 13 38.853 0.000 . 1 . . . . 85 Phe CB . 26617 1
239 . 1 1 71 71 PHE N N 15 115.073 0.111 . 1 . . . . 85 Phe N . 26617 1
240 . 1 1 72 72 ILE H H 1 7.816 0.008 . 1 . . . . 86 Ile H . 26617 1
241 . 1 1 72 72 ILE C C 13 176.581 0.000 . 1 . . . . 86 Ile C . 26617 1
242 . 1 1 72 72 ILE CA C 13 62.215 0.270 . 1 . . . . 86 Ile CA . 26617 1
243 . 1 1 72 72 ILE CB C 13 38.110 0.000 . 1 . . . . 86 Ile CB . 26617 1
244 . 1 1 72 72 ILE N N 15 112.915 0.115 . 1 . . . . 86 Ile N . 26617 1
245 . 1 1 73 73 GLY H H 1 8.451 0.011 . 1 . . . . 87 Gly H . 26617 1
246 . 1 1 73 73 GLY C C 13 176.918 0.000 . 1 . . . . 87 Gly C . 26617 1
247 . 1 1 73 73 GLY CA C 13 46.631 0.105 . 1 . . . . 87 Gly CA . 26617 1
248 . 1 1 73 73 GLY N N 15 107.929 0.107 . 1 . . . . 87 Gly N . 26617 1
249 . 1 1 74 74 ILE H H 1 8.227 0.024 . 1 . . . . 88 Ile H . 26617 1
250 . 1 1 74 74 ILE C C 13 175.553 0.000 . 1 . . . . 88 Ile C . 26617 1
251 . 1 1 74 74 ILE CA C 13 66.113 0.088 . 1 . . . . 88 Ile CA . 26617 1
252 . 1 1 74 74 ILE CB C 13 37.480 0.000 . 1 . . . . 88 Ile CB . 26617 1
253 . 1 1 74 74 ILE N N 15 122.111 0.117 . 1 . . . . 88 Ile N . 26617 1
254 . 1 1 75 75 GLY H H 1 8.005 0.011 . 1 . . . . 89 Gly H . 26617 1
255 . 1 1 75 75 GLY C C 13 177.467 0.000 . 1 . . . . 89 Gly C . 26617 1
256 . 1 1 75 75 GLY CA C 13 46.610 0.077 . 1 . . . . 89 Gly CA . 26617 1
257 . 1 1 75 75 GLY N N 15 105.882 0.078 . 1 . . . . 89 Gly N . 26617 1
258 . 1 1 76 76 LEU H H 1 6.882 0.010 . 1 . . . . 90 Leu H . 26617 1
259 . 1 1 76 76 LEU C C 13 175.474 0.000 . 1 . . . . 90 Leu C . 26617 1
260 . 1 1 76 76 LEU CA C 13 57.260 0.084 . 1 . . . . 90 Leu CA . 26617 1
261 . 1 1 76 76 LEU CB C 13 41.277 0.092 . 1 . . . . 90 Leu CB . 26617 1
262 . 1 1 76 76 LEU N N 15 119.836 0.101 . 1 . . . . 90 Leu N . 26617 1
263 . 1 1 77 77 VAL H H 1 8.134 0.005 . 1 . . . . 91 Val H . 26617 1
264 . 1 1 77 77 VAL CA C 13 66.589 0.057 . 1 . . . . 91 Val CA . 26617 1
265 . 1 1 77 77 VAL CB C 13 30.920 0.000 . 1 . . . . 91 Val CB . 26617 1
266 . 1 1 77 77 VAL N N 15 118.652 0.058 . 1 . . . . 91 Val N . 26617 1
267 . 1 1 78 78 PHE H H 1 8.814 0.008 . 1 . . . . 92 Phe H . 26617 1
268 . 1 1 78 78 PHE C C 13 178.348 0.000 . 1 . . . . 92 Phe C . 26617 1
269 . 1 1 78 78 PHE CA C 13 61.923 0.132 . 1 . . . . 92 Phe CA . 26617 1
270 . 1 1 78 78 PHE CB C 13 37.180 0.081 . 1 . . . . 92 Phe CB . 26617 1
271 . 1 1 78 78 PHE N N 15 118.632 0.118 . 1 . . . . 92 Phe N . 26617 1
272 . 1 1 79 79 GLY H H 1 7.920 0.006 . 1 . . . . 93 Gly H . 26617 1
273 . 1 1 79 79 GLY C C 13 178.422 0.000 . 1 . . . . 93 Gly C . 26617 1
274 . 1 1 79 79 GLY CA C 13 47.275 0.092 . 1 . . . . 93 Gly CA . 26617 1
275 . 1 1 79 79 GLY N N 15 108.670 0.079 . 1 . . . . 93 Gly N . 26617 1
276 . 1 1 80 80 PHE H H 1 8.402 0.007 . 1 . . . . 94 Phe H . 26617 1
277 . 1 1 80 80 PHE C C 13 175.439 0.000 . 1 . . . . 94 Phe C . 26617 1
278 . 1 1 80 80 PHE CA C 13 61.354 0.096 . 1 . . . . 94 Phe CA . 26617 1
279 . 1 1 80 80 PHE CB C 13 39.077 0.147 . 1 . . . . 94 Phe CB . 26617 1
280 . 1 1 80 80 PHE N N 15 123.550 0.122 . 1 . . . . 94 Phe N . 26617 1
281 . 1 1 81 81 ILE H H 1 8.586 0.008 . 1 . . . . 95 Ile H . 26617 1
282 . 1 1 81 81 ILE C C 13 175.827 0.000 . 1 . . . . 95 Ile C . 26617 1
283 . 1 1 81 81 ILE CA C 13 65.806 0.061 . 1 . . . . 95 Ile CA . 26617 1
284 . 1 1 81 81 ILE CB C 13 37.260 0.036 . 1 . . . . 95 Ile CB . 26617 1
285 . 1 1 81 81 ILE N N 15 120.347 0.090 . 1 . . . . 95 Ile N . 26617 1
286 . 1 1 82 82 HIS H H 1 8.427 0.008 . 1 . . . . 96 His H . 26617 1
287 . 1 1 82 82 HIS C C 13 177.583 0.000 . 1 . . . . 96 His C . 26617 1
288 . 1 1 82 82 HIS CA C 13 59.885 0.110 . 1 . . . . 96 His CA . 26617 1
289 . 1 1 82 82 HIS CB C 13 29.805 0.027 . 1 . . . . 96 His CB . 26617 1
290 . 1 1 82 82 HIS N N 15 118.935 0.130 . 1 . . . . 96 His N . 26617 1
291 . 1 1 83 83 LYS H H 1 7.684 0.010 . 1 . . . . 97 Lys H . 26617 1
292 . 1 1 83 83 LYS C C 13 176.341 0.000 . 1 . . . . 97 Lys C . 26617 1
293 . 1 1 83 83 LYS CA C 13 57.417 0.073 . 1 . . . . 97 Lys CA . 26617 1
294 . 1 1 83 83 LYS CB C 13 31.307 0.074 . 1 . . . . 97 Lys CB . 26617 1
295 . 1 1 83 83 LYS N N 15 117.496 0.138 . 1 . . . . 97 Lys N . 26617 1
296 . 1 1 84 84 LEU H H 1 8.260 0.021 . 1 . . . . 98 Leu H . 26617 1
297 . 1 1 84 84 LEU C C 13 178.397 0.000 . 1 . . . . 98 Leu C . 26617 1
298 . 1 1 84 84 LEU CA C 13 57.755 0.063 . 1 . . . . 98 Leu CA . 26617 1
299 . 1 1 84 84 LEU CB C 13 40.903 0.195 . 1 . . . . 98 Leu CB . 26617 1
300 . 1 1 84 84 LEU N N 15 121.170 0.075 . 1 . . . . 98 Leu N . 26617 1
301 . 1 1 85 85 ALA H H 1 7.928 0.016 . 1 . . . . 99 Ala H . 26617 1
302 . 1 1 85 85 ALA C C 13 177.586 0.000 . 1 . . . . 99 Ala C . 26617 1
303 . 1 1 85 85 ALA CA C 13 54.562 0.064 . 1 . . . . 99 Ala CA . 26617 1
304 . 1 1 85 85 ALA CB C 13 17.487 0.060 . 1 . . . . 99 Ala CB . 26617 1
305 . 1 1 85 85 ALA N N 15 120.204 0.063 . 1 . . . . 99 Ala N . 26617 1
306 . 1 1 86 86 VAL H H 1 7.726 0.024 . 1 . . . . 100 Val H . 26617 1
307 . 1 1 86 86 VAL C C 13 179.061 0.000 . 1 . . . . 100 Val C . 26617 1
308 . 1 1 86 86 VAL CA C 13 64.048 0.058 . 1 . . . . 100 Val CA . 26617 1
309 . 1 1 86 86 VAL CB C 13 31.256 0.061 . 1 . . . . 100 Val CB . 26617 1
310 . 1 1 86 86 VAL N N 15 112.643 0.139 . 1 . . . . 100 Val N . 26617 1
311 . 1 1 87 87 ASN H H 1 7.800 0.015 . 1 . . . . 101 Asn H . 26617 1
312 . 1 1 87 87 ASN C C 13 176.603 0.000 . 1 . . . . 101 Asn C . 26617 1
313 . 1 1 87 87 ASN CA C 13 54.506 0.082 . 1 . . . . 101 Asn CA . 26617 1
314 . 1 1 87 87 ASN CB C 13 39.345 0.137 . 1 . . . . 101 Asn CB . 26617 1
315 . 1 1 87 87 ASN N N 15 117.331 0.132 . 1 . . . . 101 Asn N . 26617 1
316 . 1 1 88 88 VAL H H 1 7.340 0.009 . 1 . . . . 102 Val H . 26617 1
317 . 1 1 88 88 VAL C C 13 175.064 0.000 . 1 . . . . 102 Val C . 26617 1
318 . 1 1 88 88 VAL CA C 13 63.035 0.074 . 1 . . . . 102 Val CA . 26617 1
319 . 1 1 88 88 VAL CB C 13 31.611 0.113 . 1 . . . . 102 Val CB . 26617 1
320 . 1 1 88 88 VAL N N 15 117.655 0.111 . 1 . . . . 102 Val N . 26617 1
321 . 1 1 89 89 GLN H H 1 7.887 0.022 . 1 . . . . 103 Gln H . 26617 1
322 . 1 1 89 89 GLN C C 13 174.809 0.000 . 1 . . . . 103 Gln C . 26617 1
323 . 1 1 89 89 GLN CA C 13 56.418 0.091 . 1 . . . . 103 Gln CA . 26617 1
324 . 1 1 89 89 GLN CB C 13 29.040 0.092 . 1 . . . . 103 Gln CB . 26617 1
325 . 1 1 89 89 GLN N N 15 120.088 0.085 . 1 . . . . 103 Gln N . 26617 1
326 . 1 1 90 90 LEU H H 1 8.157 0.013 . 1 . . . . 104 Leu H . 26617 1
327 . 1 1 90 90 LEU C C 13 175.494 0.000 . 1 . . . . 104 Leu C . 26617 1
328 . 1 1 90 90 LEU CA C 13 55.492 0.074 . 1 . . . . 104 Leu CA . 26617 1
329 . 1 1 90 90 LEU CB C 13 39.903 0.092 . 1 . . . . 104 Leu CB . 26617 1
330 . 1 1 90 90 LEU N N 15 121.154 0.120 . 1 . . . . 104 Leu N . 26617 1
331 . 1 1 92 92 SER H H 1 7.834 0.042 . 1 . . . . 106 Ser H . 26617 1
332 . 1 1 92 92 SER C C 13 175.800 0.000 . 1 . . . . 106 Ser C . 26617 1
333 . 1 1 92 92 SER N N 15 113.616 0.079 . 1 . . . . 106 Ser N . 26617 1
334 . 1 1 93 93 ILE H H 1 7.635 0.007 . 1 . . . . 107 Ile H . 26617 1
335 . 1 1 93 93 ILE C C 13 174.858 0.000 . 1 . . . . 107 Ile C . 26617 1
336 . 1 1 93 93 ILE CA C 13 61.923 0.068 . 1 . . . . 107 Ile CA . 26617 1
337 . 1 1 93 93 ILE CB C 13 38.093 0.046 . 1 . . . . 107 Ile CB . 26617 1
338 . 1 1 93 93 ILE N N 15 119.159 0.131 . 1 . . . . 107 Ile N . 26617 1
339 . 1 1 94 94 LEU H H 1 7.706 0.008 . 1 . . . . 108 Leu H . 26617 1
340 . 1 1 94 94 LEU C C 13 175.256 0.000 . 1 . . . . 108 Leu C . 26617 1
341 . 1 1 94 94 LEU CA C 13 54.586 0.096 . 1 . . . . 108 Leu CA . 26617 1
342 . 1 1 94 94 LEU CB C 13 41.589 0.063 . 1 . . . . 108 Leu CB . 26617 1
343 . 1 1 94 94 LEU N N 15 120.215 0.127 . 1 . . . . 108 Leu N . 26617 1
344 . 1 1 95 95 SER H H 1 7.690 0.010 . 1 . . . . 109 Ser H . 26617 1
345 . 1 1 95 95 SER HA H 1 4.350 0.000 . 1 . . . . 109 Ser HA . 26617 1
346 . 1 1 95 95 SER C C 13 176.261 0.000 . 1 . . . . 109 Ser C . 26617 1
347 . 1 1 95 95 SER CA C 13 58.149 0.094 . 1 . . . . 109 Ser CA . 26617 1
348 . 1 1 95 95 SER CB C 13 64.072 0.038 . 1 . . . . 109 Ser CB . 26617 1
349 . 1 1 95 95 SER N N 15 115.081 0.117 . 1 . . . . 109 Ser N . 26617 1
350 . 1 1 96 96 ASN H H 1 7.774 0.009 . 1 . . . . 110 Asn H . 26617 1
351 . 1 1 96 96 ASN HA H 1 4.353 0.000 . 1 . . . . 110 Asn HA . 26617 1
352 . 1 1 96 96 ASN C C 13 173.097 0.000 . 1 . . . . 110 Asn C . 26617 1
353 . 1 1 96 96 ASN CA C 13 54.808 0.063 . 1 . . . . 110 Asn CA . 26617 1
354 . 1 1 96 96 ASN CB C 13 40.313 0.031 . 1 . . . . 110 Asn CB . 26617 1
355 . 1 1 96 96 ASN N N 15 126.137 0.114 . 1 . . . . 110 Asn N . 26617 1
stop_
save_