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 26604
_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 '3D (H)CANH' . . . 26604 1
2 '3D (H)CA(CO)NH' . . . 26604 1
3 '3D (HCA)CB(CA)NH' . . . 26604 1
4 '3D (HNCA)CB(CA)NH' . . . 26604 1
5 '3D (HN)CONH' . . . 26604 1
6 '3D (H)CO(CA)NH' . . . 26604 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 1 1 MET C C 13 170.577 0.000 . 1 . . . . 1 Met C . 26604 1
2 . 1 1 1 1 MET CA C 13 54.250 0.000 . 1 . . . . 1 Met CA . 26604 1
3 . 1 1 1 1 MET CB C 13 32.463 0.000 . 1 . . . . 1 Met CB . 26604 1
4 . 1 1 2 2 GLN H H 1 9.224 0.009 . 1 . . . . 2 Gln H . 26604 1
5 . 1 1 2 2 GLN C C 13 175.864 0.015 . 1 . . . . 2 Gln C . 26604 1
6 . 1 1 2 2 GLN CA C 13 54.595 0.007 . 1 . . . . 2 Gln CA . 26604 1
7 . 1 1 2 2 GLN CB C 13 29.559 0.035 . 1 . . . . 2 Gln CB . 26604 1
8 . 1 1 2 2 GLN N N 15 125.033 0.131 . 1 . . . . 2 Gln N . 26604 1
9 . 1 1 3 3 ILE H H 1 8.434 0.007 . 1 . . . . 3 Ile H . 26604 1
10 . 1 1 3 3 ILE C C 13 171.630 0.013 . 1 . . . . 3 Ile C . 26604 1
11 . 1 1 3 3 ILE CA C 13 59.126 0.040 . 1 . . . . 3 Ile CA . 26604 1
12 . 1 1 3 3 ILE CB C 13 41.218 0.050 . 1 . . . . 3 Ile CB . 26604 1
13 . 1 1 3 3 ILE N N 15 116.507 0.024 . 1 . . . . 3 Ile N . 26604 1
14 . 1 1 4 4 PHE H H 1 9.030 0.006 . 1 . . . . 4 Phe H . 26604 1
15 . 1 1 4 4 PHE C C 13 175.157 0.030 . 1 . . . . 4 Phe C . 26604 1
16 . 1 1 4 4 PHE CA C 13 54.183 0.033 . 1 . . . . 4 Phe CA . 26604 1
17 . 1 1 4 4 PHE CB C 13 40.185 0.015 . 1 . . . . 4 Phe CB . 26604 1
18 . 1 1 4 4 PHE N N 15 118.221 0.044 . 1 . . . . 4 Phe N . 26604 1
19 . 1 1 5 5 VAL H H 1 9.258 0.008 . 1 . . . . 5 Val H . 26604 1
20 . 1 1 5 5 VAL C C 13 174.162 0.048 . 1 . . . . 5 Val C . 26604 1
21 . 1 1 5 5 VAL CA C 13 60.334 0.022 . 1 . . . . 5 Val CA . 26604 1
22 . 1 1 5 5 VAL CB C 13 33.562 0.046 . 1 . . . . 5 Val CB . 26604 1
23 . 1 1 5 5 VAL N N 15 120.253 0.031 . 1 . . . . 5 Val N . 26604 1
24 . 1 1 6 6 LYS H H 1 8.994 0.014 . 1 . . . . 6 Lys H . 26604 1
25 . 1 1 6 6 LYS C C 13 177.254 0.248 . 1 . . . . 6 Lys C . 26604 1
26 . 1 1 6 6 LYS CA C 13 53.878 0.191 . 1 . . . . 6 Lys CA . 26604 1
27 . 1 1 6 6 LYS CB C 13 34.504 0.062 . 1 . . . . 6 Lys CB . 26604 1
28 . 1 1 6 6 LYS N N 15 127.787 0.094 . 1 . . . . 6 Lys N . 26604 1
29 . 1 1 7 7 THR H H 1 8.879 0.010 . 1 . . . . 7 Thr H . 26604 1
30 . 1 1 7 7 THR C C 13 176.686 0.012 . 1 . . . . 7 Thr C . 26604 1
31 . 1 1 7 7 THR CA C 13 60.176 0.011 . 1 . . . . 7 Thr CA . 26604 1
32 . 1 1 7 7 THR CB C 13 69.902 0.067 . 1 . . . . 7 Thr CB . 26604 1
33 . 1 1 7 7 THR N N 15 117.798 0.098 . 1 . . . . 7 Thr N . 26604 1
34 . 1 1 8 8 LEU H H 1 9.149 0.014 . 1 . . . . 8 Leu H . 26604 1
35 . 1 1 8 8 LEU C C 13 178.107 0.000 . 1 . . . . 8 Leu C . 26604 1
36 . 1 1 8 8 LEU CA C 13 57.077 0.118 . 1 . . . . 8 Leu CA . 26604 1
37 . 1 1 8 8 LEU CB C 13 40.522 0.103 . 1 . . . . 8 Leu CB . 26604 1
38 . 1 1 8 8 LEU N N 15 119.777 0.147 . 1 . . . . 8 Leu N . 26604 1
39 . 1 1 9 9 THR H H 1 7.724 0.005 . 1 . . . . 9 Thr H . 26604 1
40 . 1 1 9 9 THR C C 13 174.991 0.000 . 1 . . . . 9 Thr C . 26604 1
41 . 1 1 9 9 THR CA C 13 61.077 0.081 . 1 . . . . 9 Thr CA . 26604 1
42 . 1 1 9 9 THR CB C 13 68.534 0.000 . 1 . . . . 9 Thr CB . 26604 1
43 . 1 1 9 9 THR N N 15 105.329 0.422 . 1 . . . . 9 Thr N . 26604 1
44 . 1 1 10 10 GLY H H 1 7.914 0.008 . 1 . . . . 10 Gly H . 26604 1
45 . 1 1 10 10 GLY C C 13 173.530 0.008 . 1 . . . . 10 Gly C . 26604 1
46 . 1 1 10 10 GLY CA C 13 44.523 0.031 . 1 . . . . 10 Gly CA . 26604 1
47 . 1 1 10 10 GLY N N 15 108.364 0.093 . 1 . . . . 10 Gly N . 26604 1
48 . 1 1 11 11 LYS H H 1 7.236 0.015 . 1 . . . . 11 Lys H . 26604 1
49 . 1 1 11 11 LYS C C 13 175.457 0.024 . 1 . . . . 11 Lys C . 26604 1
50 . 1 1 11 11 LYS CA C 13 55.869 0.047 . 1 . . . . 11 Lys CA . 26604 1
51 . 1 1 11 11 LYS CB C 13 31.635 0.125 . 1 . . . . 11 Lys CB . 26604 1
52 . 1 1 11 11 LYS N N 15 122.827 0.042 . 1 . . . . 11 Lys N . 26604 1
53 . 1 1 12 12 THR H H 1 8.578 0.018 . 1 . . . . 12 Thr H . 26604 1
54 . 1 1 12 12 THR C C 13 173.872 0.004 . 1 . . . . 12 Thr C . 26604 1
55 . 1 1 12 12 THR CA C 13 61.780 0.043 . 1 . . . . 12 Thr CA . 26604 1
56 . 1 1 12 12 THR CB C 13 68.947 0.074 . 1 . . . . 12 Thr CB . 26604 1
57 . 1 1 12 12 THR N N 15 121.890 0.057 . 1 . . . . 12 Thr N . 26604 1
58 . 1 1 13 13 ILE H H 1 9.500 0.009 . 1 . . . . 13 Ile H . 26604 1
59 . 1 1 13 13 ILE C C 13 175.254 0.027 . 1 . . . . 13 Ile C . 26604 1
60 . 1 1 13 13 ILE CA C 13 59.623 0.057 . 1 . . . . 13 Ile CA . 26604 1
61 . 1 1 13 13 ILE CB C 13 39.873 0.006 . 1 . . . . 13 Ile CB . 26604 1
62 . 1 1 13 13 ILE N N 15 127.199 0.097 . 1 . . . . 13 Ile N . 26604 1
63 . 1 1 14 14 THR H H 1 8.868 0.007 . 1 . . . . 14 Thr H . 26604 1
64 . 1 1 14 14 THR C C 13 173.424 0.005 . 1 . . . . 14 Thr C . 26604 1
65 . 1 1 14 14 THR CA C 13 61.644 0.058 . 1 . . . . 14 Thr CA . 26604 1
66 . 1 1 14 14 THR CB C 13 69.065 0.077 . 1 . . . . 14 Thr CB . 26604 1
67 . 1 1 14 14 THR N N 15 121.188 0.086 . 1 . . . . 14 Thr N . 26604 1
68 . 1 1 15 15 LEU H H 1 8.865 0.012 . 1 . . . . 15 Leu H . 26604 1
69 . 1 1 15 15 LEU C C 13 174.661 0.006 . 1 . . . . 15 Leu C . 26604 1
70 . 1 1 15 15 LEU CA C 13 52.564 0.012 . 1 . . . . 15 Leu CA . 26604 1
71 . 1 1 15 15 LEU CB C 13 46.004 0.006 . 1 . . . . 15 Leu CB . 26604 1
72 . 1 1 15 15 LEU N N 15 124.279 0.084 . 1 . . . . 15 Leu N . 26604 1
73 . 1 1 16 16 GLU H H 1 8.236 0.006 . 1 . . . . 16 Glu H . 26604 1
74 . 1 1 16 16 GLU C C 13 175.667 0.042 . 1 . . . . 16 Glu C . 26604 1
75 . 1 1 16 16 GLU CA C 13 54.447 0.036 . 1 . . . . 16 Glu CA . 26604 1
76 . 1 1 16 16 GLU CB C 13 28.671 0.028 . 1 . . . . 16 Glu CB . 26604 1
77 . 1 1 16 16 GLU N N 15 122.352 0.010 . 1 . . . . 16 Glu N . 26604 1
78 . 1 1 17 17 VAL H H 1 9.096 0.006 . 1 . . . . 17 Val H . 26604 1
79 . 1 1 17 17 VAL C C 13 174.183 0.007 . 1 . . . . 17 Val C . 26604 1
80 . 1 1 17 17 VAL CA C 13 58.043 0.013 . 1 . . . . 17 Val CA . 26604 1
81 . 1 1 17 17 VAL CB C 13 34.573 0.010 . 1 . . . . 17 Val CB . 26604 1
82 . 1 1 17 17 VAL N N 15 118.546 0.018 . 1 . . . . 17 Val N . 26604 1
83 . 1 1 18 18 GLU H H 1 8.245 0.010 . 1 . . . . 18 Glu H . 26604 1
84 . 1 1 18 18 GLU C C 13 176.444 0.000 . 1 . . . . 18 Glu C . 26604 1
85 . 1 1 18 18 GLU CA C 13 52.119 0.000 . 1 . . . . 18 Glu CA . 26604 1
86 . 1 1 18 18 GLU CB C 13 29.470 0.019 . 1 . . . . 18 Glu CB . 26604 1
87 . 1 1 18 18 GLU N N 15 119.026 0.038 . 1 . . . . 18 Glu N . 26604 1
88 . 1 1 19 19 PRO C C 13 175.116 0.000 . 1 . . . . 19 Pro C . 26604 1
89 . 1 1 19 19 PRO CA C 13 64.722 0.000 . 1 . . . . 19 Pro CA . 26604 1
90 . 1 1 19 19 PRO CB C 13 30.920 0.000 . 1 . . . . 19 Pro CB . 26604 1
91 . 1 1 20 20 SER H H 1 6.918 0.015 . 1 . . . . 20 Ser H . 26604 1
92 . 1 1 20 20 SER C C 13 173.662 0.000 . 1 . . . . 20 Ser C . 26604 1
93 . 1 1 20 20 SER CA C 13 56.583 0.018 . 1 . . . . 20 Ser CA . 26604 1
94 . 1 1 20 20 SER CB C 13 62.729 0.063 . 1 . . . . 20 Ser CB . 26604 1
95 . 1 1 20 20 SER N N 15 103.045 0.084 . 1 . . . . 20 Ser N . 26604 1
96 . 1 1 21 21 ASP H H 1 7.969 0.011 . 1 . . . . 21 Asp H . 26604 1
97 . 1 1 21 21 ASP C C 13 176.207 0.020 . 1 . . . . 21 Asp C . 26604 1
98 . 1 1 21 21 ASP CA C 13 54.877 0.041 . 1 . . . . 21 Asp CA . 26604 1
99 . 1 1 21 21 ASP CB C 13 39.639 0.010 . 1 . . . . 21 Asp CB . 26604 1
100 . 1 1 21 21 ASP N N 15 124.232 0.056 . 1 . . . . 21 Asp N . 26604 1
101 . 1 1 22 22 THR H H 1 8.153 0.014 . 1 . . . . 22 Thr H . 26604 1
102 . 1 1 22 22 THR C C 13 176.784 0.000 . 1 . . . . 22 Thr C . 26604 1
103 . 1 1 22 22 THR CA C 13 59.926 0.045 . 1 . . . . 22 Thr CA . 26604 1
104 . 1 1 22 22 THR CB C 13 71.394 0.116 . 1 . . . . 22 Thr CB . 26604 1
105 . 1 1 22 22 THR N N 15 109.878 0.045 . 1 . . . . 22 Thr N . 26604 1
106 . 1 1 23 23 ILE H H 1 8.577 0.017 . 1 . . . . 23 Ile H . 26604 1
107 . 1 1 23 23 ILE C C 13 178.359 0.000 . 1 . . . . 23 Ile C . 26604 1
108 . 1 1 23 23 ILE CA C 13 61.540 0.000 . 1 . . . . 23 Ile CA . 26604 1
109 . 1 1 23 23 ILE CB C 13 33.617 0.000 . 1 . . . . 23 Ile CB . 26604 1
110 . 1 1 23 23 ILE N N 15 119.398 0.120 . 1 . . . . 23 Ile N . 26604 1
111 . 1 1 24 24 GLU H H 1 8.514 0.027 . 1 . . . . 24 Glu H . 26604 1
112 . 1 1 24 24 GLU CA C 13 59.192 0.000 . 1 . . . . 24 Glu CA . 26604 1
113 . 1 1 24 24 GLU CB C 13 30.278 0.000 . 1 . . . . 24 Glu CB . 26604 1
114 . 1 1 24 24 GLU N N 15 123.329 0.145 . 1 . . . . 24 Glu N . 26604 1
115 . 1 1 25 25 ASN H H 1 7.658 0.007 . 1 . . . . 25 Asn H . 26604 1
116 . 1 1 25 25 ASN C C 13 176.811 0.024 . 1 . . . . 25 Asn C . 26604 1
117 . 1 1 25 25 ASN CA C 13 55.756 0.028 . 1 . . . . 25 Asn CA . 26604 1
118 . 1 1 25 25 ASN CB C 13 37.467 0.005 . 1 . . . . 25 Asn CB . 26604 1
119 . 1 1 25 25 ASN N N 15 123.850 0.122 . 1 . . . . 25 Asn N . 26604 1
120 . 1 1 26 26 VAL H H 1 8.035 0.012 . 1 . . . . 26 Val H . 26604 1
121 . 1 1 26 26 VAL C C 13 178.177 0.006 . 1 . . . . 26 Val C . 26604 1
122 . 1 1 26 26 VAL CA C 13 67.431 0.086 . 1 . . . . 26 Val CA . 26604 1
123 . 1 1 26 26 VAL CB C 13 29.636 0.031 . 1 . . . . 26 Val CB . 26604 1
124 . 1 1 26 26 VAL N N 15 118.482 0.044 . 1 . . . . 26 Val N . 26604 1
125 . 1 1 27 27 LYS H H 1 8.699 0.006 . 1 . . . . 27 Lys H . 26604 1
126 . 1 1 27 27 LYS C C 13 180.318 0.022 . 1 . . . . 27 Lys C . 26604 1
127 . 1 1 27 27 LYS CA C 13 58.862 0.045 . 1 . . . . 27 Lys CA . 26604 1
128 . 1 1 27 27 LYS CB C 13 32.912 0.023 . 1 . . . . 27 Lys CB . 26604 1
129 . 1 1 27 27 LYS N N 15 116.919 0.069 . 1 . . . . 27 Lys N . 26604 1
130 . 1 1 28 28 ALA H H 1 8.262 0.025 . 1 . . . . 28 Ala H . 26604 1
131 . 1 1 28 28 ALA C C 13 180.492 0.008 . 1 . . . . 28 Ala C . 26604 1
132 . 1 1 28 28 ALA CA C 13 55.108 0.018 . 1 . . . . 28 Ala CA . 26604 1
133 . 1 1 28 28 ALA CB C 13 17.564 0.053 . 1 . . . . 28 Ala CB . 26604 1
134 . 1 1 28 28 ALA N N 15 124.774 0.067 . 1 . . . . 28 Ala N . 26604 1
135 . 1 1 29 29 LYS H H 1 8.740 0.014 . 1 . . . . 29 Lys H . 26604 1
136 . 1 1 29 29 LYS C C 13 180.353 0.004 . 1 . . . . 29 Lys C . 26604 1
137 . 1 1 29 29 LYS CA C 13 60.054 0.031 . 1 . . . . 29 Lys CA . 26604 1
138 . 1 1 29 29 LYS CB C 13 31.953 0.020 . 1 . . . . 29 Lys CB . 26604 1
139 . 1 1 29 29 LYS N N 15 121.464 0.091 . 1 . . . . 29 Lys N . 26604 1
140 . 1 1 30 30 ILE H H 1 8.387 0.014 . 1 . . . . 30 Ile H . 26604 1
141 . 1 1 30 30 ILE C C 13 178.283 0.024 . 1 . . . . 30 Ile C . 26604 1
142 . 1 1 30 30 ILE CA C 13 65.672 0.069 . 1 . . . . 30 Ile CA . 26604 1
143 . 1 1 30 30 ILE CB C 13 35.433 0.030 . 1 . . . . 30 Ile CB . 26604 1
144 . 1 1 30 30 ILE N N 15 121.456 0.093 . 1 . . . . 30 Ile N . 26604 1
145 . 1 1 31 31 GLN H H 1 8.519 0.010 . 1 . . . . 31 Gln H . 26604 1
146 . 1 1 31 31 GLN C C 13 178.629 0.021 . 1 . . . . 31 Gln C . 26604 1
147 . 1 1 31 31 GLN CA C 13 59.152 0.050 . 1 . . . . 31 Gln CA . 26604 1
148 . 1 1 31 31 GLN CB C 13 26.750 0.027 . 1 . . . . 31 Gln CB . 26604 1
149 . 1 1 31 31 GLN N N 15 124.947 0.044 . 1 . . . . 31 Gln N . 26604 1
150 . 1 1 32 32 ASP H H 1 8.466 0.012 . 1 . . . . 32 Asp H . 26604 1
151 . 1 1 32 32 ASP C C 13 176.539 0.017 . 1 . . . . 32 Asp C . 26604 1
152 . 1 1 32 32 ASP CA C 13 55.742 0.021 . 1 . . . . 32 Asp CA . 26604 1
153 . 1 1 32 32 ASP CB C 13 40.861 0.024 . 1 . . . . 32 Asp CB . 26604 1
154 . 1 1 32 32 ASP N N 15 118.152 0.022 . 1 . . . . 32 Asp N . 26604 1
155 . 1 1 33 33 LYS H H 1 7.277 0.013 . 1 . . . . 33 Lys H . 26604 1
156 . 1 1 33 33 LYS C C 13 177.872 0.020 . 1 . . . . 33 Lys C . 26604 1
157 . 1 1 33 33 LYS CA C 13 58.256 0.045 . 1 . . . . 33 Lys CA . 26604 1
158 . 1 1 33 33 LYS CB C 13 33.145 0.024 . 1 . . . . 33 Lys CB . 26604 1
159 . 1 1 33 33 LYS N N 15 112.731 0.086 . 1 . . . . 33 Lys N . 26604 1
160 . 1 1 34 34 GLU H H 1 8.918 0.006 . 1 . . . . 34 Glu H . 26604 1
161 . 1 1 34 34 GLU C C 13 177.867 0.001 . 1 . . . . 34 Glu C . 26604 1
162 . 1 1 34 34 GLU CA C 13 54.817 0.014 . 1 . . . . 34 Glu CA . 26604 1
163 . 1 1 34 34 GLU CB C 13 31.465 0.019 . 1 . . . . 34 Glu CB . 26604 1
164 . 1 1 34 34 GLU N N 15 112.756 0.047 . 1 . . . . 34 Glu N . 26604 1
165 . 1 1 35 35 GLY H H 1 9.220 0.003 . 1 . . . . 35 Gly H . 26604 1
166 . 1 1 35 35 GLY C C 13 173.297 0.023 . 1 . . . . 35 Gly C . 26604 1
167 . 1 1 35 35 GLY CA C 13 45.054 0.042 . 1 . . . . 35 Gly CA . 26604 1
168 . 1 1 35 35 GLY N N 15 109.750 0.095 . 1 . . . . 35 Gly N . 26604 1
169 . 1 1 36 36 ILE H H 1 6.200 0.006 . 1 . . . . 36 Ile H . 26604 1
170 . 1 1 36 36 ILE C C 13 172.926 0.000 . 1 . . . . 36 Ile C . 26604 1
171 . 1 1 36 36 ILE CA C 13 57.421 0.000 . 1 . . . . 36 Ile CA . 26604 1
172 . 1 1 36 36 ILE CB C 13 38.919 0.010 . 1 . . . . 36 Ile CB . 26604 1
173 . 1 1 36 36 ILE N N 15 119.808 0.124 . 1 . . . . 36 Ile N . 26604 1
174 . 1 1 38 38 PRO C C 13 178.110 0.000 . 1 . . . . 38 Pro C . 26604 1
175 . 1 1 38 38 PRO CA C 13 65.912 0.000 . 1 . . . . 38 Pro CA . 26604 1
176 . 1 1 38 38 PRO CB C 13 32.079 0.000 . 1 . . . . 38 Pro CB . 26604 1
177 . 1 1 39 39 ASP H H 1 8.569 0.016 . 1 . . . . 39 Asp H . 26604 1
178 . 1 1 39 39 ASP C C 13 176.542 0.031 . 1 . . . . 39 Asp C . 26604 1
179 . 1 1 39 39 ASP CA C 13 55.054 0.044 . 1 . . . . 39 Asp CA . 26604 1
180 . 1 1 39 39 ASP CB C 13 38.800 0.011 . 1 . . . . 39 Asp CB . 26604 1
181 . 1 1 39 39 ASP N N 15 112.458 0.049 . 1 . . . . 39 Asp N . 26604 1
182 . 1 1 40 40 GLN H H 1 7.795 0.010 . 1 . . . . 40 Gln H . 26604 1
183 . 1 1 40 40 GLN C C 13 174.912 0.000 . 1 . . . . 40 Gln C . 26604 1
184 . 1 1 40 40 GLN CA C 13 55.071 0.029 . 1 . . . . 40 Gln CA . 26604 1
185 . 1 1 40 40 GLN CB C 13 28.600 0.033 . 1 . . . . 40 Gln CB . 26604 1
186 . 1 1 40 40 GLN N N 15 116.690 0.130 . 1 . . . . 40 Gln N . 26604 1
187 . 1 1 41 41 GLN H H 1 7.577 0.008 . 1 . . . . 41 Gln H . 26604 1
188 . 1 1 41 41 GLN C C 13 176.515 0.031 . 1 . . . . 41 Gln C . 26604 1
189 . 1 1 41 41 GLN CA C 13 55.496 0.042 . 1 . . . . 41 Gln CA . 26604 1
190 . 1 1 41 41 GLN CB C 13 31.227 0.079 . 1 . . . . 41 Gln CB . 26604 1
191 . 1 1 41 41 GLN N N 15 117.670 0.065 . 1 . . . . 41 Gln N . 26604 1
192 . 1 1 42 42 ARG H H 1 8.587 0.010 . 1 . . . . 42 Arg H . 26604 1
193 . 1 1 42 42 ARG C C 13 174.175 0.025 . 1 . . . . 42 Arg C . 26604 1
194 . 1 1 42 42 ARG CA C 13 54.434 0.046 . 1 . . . . 42 Arg CA . 26604 1
195 . 1 1 42 42 ARG CB C 13 30.771 0.103 . 1 . . . . 42 Arg CB . 26604 1
196 . 1 1 42 42 ARG N N 15 120.734 0.165 . 1 . . . . 42 Arg N . 26604 1
197 . 1 1 43 43 LEU H H 1 8.971 0.004 . 1 . . . . 43 Leu H . 26604 1
198 . 1 1 43 43 LEU C C 13 175.421 0.000 . 1 . . . . 43 Leu C . 26604 1
199 . 1 1 43 43 LEU CA C 13 52.330 0.033 . 1 . . . . 43 Leu CA . 26604 1
200 . 1 1 43 43 LEU CB C 13 44.412 0.011 . 1 . . . . 43 Leu CB . 26604 1
201 . 1 1 43 43 LEU N N 15 122.938 0.144 . 1 . . . . 43 Leu N . 26604 1
202 . 1 1 44 44 ILE H H 1 9.154 0.005 . 1 . . . . 44 Ile H . 26604 1
203 . 1 1 44 44 ILE C C 13 176.054 0.040 . 1 . . . . 44 Ile C . 26604 1
204 . 1 1 44 44 ILE CA C 13 58.664 0.070 . 1 . . . . 44 Ile CA . 26604 1
205 . 1 1 44 44 ILE CB C 13 41.291 0.007 . 1 . . . . 44 Ile CB . 26604 1
206 . 1 1 44 44 ILE N N 15 122.463 0.053 . 1 . . . . 44 Ile N . 26604 1
207 . 1 1 45 45 PHE H H 1 8.699 0.009 . 1 . . . . 45 Phe H . 26604 1
208 . 1 1 45 45 PHE C C 13 174.162 0.011 . 1 . . . . 45 Phe C . 26604 1
209 . 1 1 45 45 PHE CA C 13 58.902 0.032 . 1 . . . . 45 Phe CA . 26604 1
210 . 1 1 45 45 PHE CB C 13 42.978 0.012 . 1 . . . . 45 Phe CB . 26604 1
211 . 1 1 45 45 PHE N N 15 124.695 0.023 . 1 . . . . 45 Phe N . 26604 1
212 . 1 1 46 46 ALA H H 1 9.233 0.006 . 1 . . . . 46 Ala H . 26604 1
213 . 1 1 46 46 ALA C C 13 177.880 0.018 . 1 . . . . 46 Ala C . 26604 1
214 . 1 1 46 46 ALA CA C 13 51.402 0.013 . 1 . . . . 46 Ala CA . 26604 1
215 . 1 1 46 46 ALA CB C 13 15.920 0.144 . 1 . . . . 46 Ala CB . 26604 1
216 . 1 1 46 46 ALA N N 15 131.853 0.081 . 1 . . . . 46 Ala N . 26604 1
217 . 1 1 47 47 GLY H H 1 9.013 0.007 . 1 . . . . 47 Gly H . 26604 1
218 . 1 1 47 47 GLY C C 13 173.453 0.006 . 1 . . . . 47 Gly C . 26604 1
219 . 1 1 47 47 GLY CA C 13 45.066 0.006 . 1 . . . . 47 Gly CA . 26604 1
220 . 1 1 47 47 GLY N N 15 102.738 0.068 . 1 . . . . 47 Gly N . 26604 1
221 . 1 1 48 48 LYS H H 1 7.767 0.009 . 1 . . . . 48 Lys H . 26604 1
222 . 1 1 48 48 LYS C C 13 174.758 0.003 . 1 . . . . 48 Lys C . 26604 1
223 . 1 1 48 48 LYS CA C 13 53.761 0.013 . 1 . . . . 48 Lys CA . 26604 1
224 . 1 1 48 48 LYS CB C 13 33.748 0.003 . 1 . . . . 48 Lys CB . 26604 1
225 . 1 1 48 48 LYS N N 15 119.931 0.112 . 1 . . . . 48 Lys N . 26604 1
226 . 1 1 49 49 GLN H H 1 9.359 0.037 . 1 . . . . 49 Gln H . 26604 1
227 . 1 1 49 49 GLN C C 13 175.867 0.002 . 1 . . . . 49 Gln C . 26604 1
228 . 1 1 49 49 GLN CA C 13 55.605 0.002 . 1 . . . . 49 Gln CA . 26604 1
229 . 1 1 49 49 GLN CB C 13 27.459 0.052 . 1 . . . . 49 Gln CB . 26604 1
230 . 1 1 49 49 GLN N N 15 121.763 0.029 . 1 . . . . 49 Gln N . 26604 1
231 . 1 1 50 50 LEU H H 1 9.035 0.017 . 1 . . . . 50 Leu H . 26604 1
232 . 1 1 50 50 LEU C C 13 176.606 0.033 . 1 . . . . 50 Leu C . 26604 1
233 . 1 1 50 50 LEU CA C 13 54.057 0.100 . 1 . . . . 50 Leu CA . 26604 1
234 . 1 1 50 50 LEU CB C 13 39.510 0.027 . 1 . . . . 50 Leu CB . 26604 1
235 . 1 1 50 50 LEU N N 15 128.042 0.151 . 1 . . . . 50 Leu N . 26604 1
236 . 1 1 51 51 GLU H H 1 8.611 0.015 . 1 . . . . 51 Glu H . 26604 1
237 . 1 1 51 51 GLU C C 13 175.089 0.031 . 1 . . . . 51 Glu C . 26604 1
238 . 1 1 51 51 GLU CA C 13 55.559 0.019 . 1 . . . . 51 Glu CA . 26604 1
239 . 1 1 51 51 GLU CB C 13 31.186 0.132 . 1 . . . . 51 Glu CB . 26604 1
240 . 1 1 51 51 GLU N N 15 123.539 0.026 . 1 . . . . 51 Glu N . 26604 1
241 . 1 1 52 52 ASP H H 1 8.219 0.012 . 1 . . . . 52 Asp H . 26604 1
242 . 1 1 52 52 ASP C C 13 177.289 0.000 . 1 . . . . 52 Asp C . 26604 1
243 . 1 1 52 52 ASP CA C 13 55.483 0.000 . 1 . . . . 52 Asp CA . 26604 1
244 . 1 1 52 52 ASP N N 15 120.478 0.068 . 1 . . . . 52 Asp N . 26604 1
245 . 1 1 53 53 GLY C C 13 174.250 0.000 . 1 . . . . 53 Gly C . 26604 1
246 . 1 1 53 53 GLY CA C 13 44.387 0.000 . 1 . . . . 53 Gly CA . 26604 1
247 . 1 1 54 54 ARG H H 1 7.713 0.005 . 1 . . . . 54 Arg H . 26604 1
248 . 1 1 54 54 ARG C C 13 175.365 0.011 . 1 . . . . 54 Arg C . 26604 1
249 . 1 1 54 54 ARG CA C 13 53.511 0.037 . 1 . . . . 54 Arg CA . 26604 1
250 . 1 1 54 54 ARG CB C 13 31.546 0.066 . 1 . . . . 54 Arg CB . 26604 1
251 . 1 1 54 54 ARG N N 15 118.644 0.113 . 1 . . . . 54 Arg N . 26604 1
252 . 1 1 55 55 THR H H 1 8.981 0.010 . 1 . . . . 55 Thr H . 26604 1
253 . 1 1 55 55 THR C C 13 176.414 0.011 . 1 . . . . 55 Thr C . 26604 1
254 . 1 1 55 55 THR CA C 13 59.211 0.018 . 1 . . . . 55 Thr CA . 26604 1
255 . 1 1 55 55 THR CB C 13 72.003 0.072 . 1 . . . . 55 Thr CB . 26604 1
256 . 1 1 55 55 THR N N 15 109.051 0.053 . 1 . . . . 55 Thr N . 26604 1
257 . 1 1 56 56 LEU H H 1 8.045 0.004 . 1 . . . . 56 Leu H . 26604 1
258 . 1 1 56 56 LEU C C 13 180.331 0.010 . 1 . . . . 56 Leu C . 26604 1
259 . 1 1 56 56 LEU CA C 13 58.249 0.051 . 1 . . . . 56 Leu CA . 26604 1
260 . 1 1 56 56 LEU CB C 13 39.225 0.016 . 1 . . . . 56 Leu CB . 26604 1
261 . 1 1 56 56 LEU N N 15 117.588 0.056 . 1 . . . . 56 Leu N . 26604 1
262 . 1 1 57 57 SER H H 1 8.298 0.020 . 1 . . . . 57 Ser H . 26604 1
263 . 1 1 57 57 SER C C 13 178.224 0.009 . 1 . . . . 57 Ser C . 26604 1
264 . 1 1 57 57 SER CA C 13 61.073 0.097 . 1 . . . . 57 Ser CA . 26604 1
265 . 1 1 57 57 SER CB C 13 61.947 0.029 . 1 . . . . 57 Ser CB . 26604 1
266 . 1 1 57 57 SER N N 15 112.790 0.052 . 1 . . . . 57 Ser N . 26604 1
267 . 1 1 58 58 ASP H H 1 8.132 0.011 . 1 . . . . 58 Asp H . 26604 1
268 . 1 1 58 58 ASP C C 13 177.505 0.027 . 1 . . . . 58 Asp C . 26604 1
269 . 1 1 58 58 ASP CA C 13 57.165 0.049 . 1 . . . . 58 Asp CA . 26604 1
270 . 1 1 58 58 ASP CB C 13 39.404 0.009 . 1 . . . . 58 Asp CB . 26604 1
271 . 1 1 58 58 ASP N N 15 124.539 0.069 . 1 . . . . 58 Asp N . 26604 1
272 . 1 1 59 59 TYR H H 1 7.174 0.018 . 1 . . . . 59 Tyr H . 26604 1
273 . 1 1 59 59 TYR C C 13 174.386 0.002 . 1 . . . . 59 Tyr C . 26604 1
274 . 1 1 59 59 TYR CA C 13 58.526 0.025 . 1 . . . . 59 Tyr CA . 26604 1
275 . 1 1 59 59 TYR CB C 13 39.273 0.006 . 1 . . . . 59 Tyr CB . 26604 1
276 . 1 1 59 59 TYR N N 15 115.046 0.115 . 1 . . . . 59 Tyr N . 26604 1
277 . 1 1 60 60 ASN H H 1 8.343 0.004 . 1 . . . . 60 Asn H . 26604 1
278 . 1 1 60 60 ASN C C 13 173.077 0.011 . 1 . . . . 60 Asn C . 26604 1
279 . 1 1 60 60 ASN CA C 13 52.760 0.035 . 1 . . . . 60 Asn CA . 26604 1
280 . 1 1 60 60 ASN CB C 13 36.544 0.031 . 1 . . . . 60 Asn CB . 26604 1
281 . 1 1 60 60 ASN N N 15 117.952 0.032 . 1 . . . . 60 Asn N . 26604 1
282 . 1 1 61 61 ILE H H 1 7.438 0.011 . 1 . . . . 61 Ile H . 26604 1
283 . 1 1 61 61 ILE C C 13 174.938 0.004 . 1 . . . . 61 Ile C . 26604 1
284 . 1 1 61 61 ILE CA C 13 61.433 0.024 . 1 . . . . 61 Ile CA . 26604 1
285 . 1 1 61 61 ILE CB C 13 35.866 0.055 . 1 . . . . 61 Ile CB . 26604 1
286 . 1 1 61 61 ILE N N 15 117.452 0.050 . 1 . . . . 61 Ile N . 26604 1
287 . 1 1 62 62 GLN H H 1 9.512 0.018 . 1 . . . . 62 Gln H . 26604 1
288 . 1 1 62 62 GLN C C 13 176.567 0.021 . 1 . . . . 62 Gln C . 26604 1
289 . 1 1 62 62 GLN CA C 13 53.249 0.013 . 1 . . . . 62 Gln CA . 26604 1
290 . 1 1 62 62 GLN CB C 13 28.183 0.040 . 1 . . . . 62 Gln CB . 26604 1
291 . 1 1 62 62 GLN N N 15 126.875 0.062 . 1 . . . . 62 Gln N . 26604 1
292 . 1 1 63 63 LYS H H 1 8.266 0.006 . 1 . . . . 63 Lys H . 26604 1
293 . 1 1 63 63 LYS C C 13 174.017 0.001 . 1 . . . . 63 Lys C . 26604 1
294 . 1 1 63 63 LYS CA C 13 57.013 0.082 . 1 . . . . 63 Lys CA . 26604 1
295 . 1 1 63 63 LYS CB C 13 31.498 0.013 . 1 . . . . 63 Lys CB . 26604 1
296 . 1 1 63 63 LYS N N 15 119.483 0.055 . 1 . . . . 63 Lys N . 26604 1
297 . 1 1 64 64 GLU H H 1 9.241 0.014 . 1 . . . . 64 Glu H . 26604 1
298 . 1 1 64 64 GLU C C 13 174.403 0.032 . 1 . . . . 64 Glu C . 26604 1
299 . 1 1 64 64 GLU CA C 13 57.637 0.005 . 1 . . . . 64 Glu CA . 26604 1
300 . 1 1 64 64 GLU CB C 13 25.452 0.080 . 1 . . . . 64 Glu CB . 26604 1
301 . 1 1 64 64 GLU N N 15 110.013 0.088 . 1 . . . . 64 Glu N . 26604 1
302 . 1 1 65 65 SER H H 1 7.132 0.011 . 1 . . . . 65 Ser H . 26604 1
303 . 1 1 65 65 SER C C 13 171.434 0.020 . 1 . . . . 65 Ser C . 26604 1
304 . 1 1 65 65 SER CA C 13 59.857 0.048 . 1 . . . . 65 Ser CA . 26604 1
305 . 1 1 65 65 SER CB C 13 63.489 0.050 . 1 . . . . 65 Ser CB . 26604 1
306 . 1 1 65 65 SER N N 15 112.013 0.059 . 1 . . . . 65 Ser N . 26604 1
307 . 1 1 66 66 THR H H 1 9.259 0.008 . 1 . . . . 66 Thr H . 26604 1
308 . 1 1 66 66 THR C C 13 174.049 0.115 . 1 . . . . 66 Thr C . 26604 1
309 . 1 1 66 66 THR CA C 13 61.282 0.040 . 1 . . . . 66 Thr CA . 26604 1
310 . 1 1 66 66 THR CB C 13 67.735 0.074 . 1 . . . . 66 Thr CB . 26604 1
311 . 1 1 66 66 THR N N 15 120.146 0.072 . 1 . . . . 66 Thr N . 26604 1
312 . 1 1 67 67 LEU H H 1 8.984 0.012 . 1 . . . . 67 Leu H . 26604 1
313 . 1 1 67 67 LEU C C 13 175.482 0.015 . 1 . . . . 67 Leu C . 26604 1
314 . 1 1 67 67 LEU CA C 13 53.472 0.059 . 1 . . . . 67 Leu CA . 26604 1
315 . 1 1 67 67 LEU CB C 13 41.580 0.018 . 1 . . . . 67 Leu CB . 26604 1
316 . 1 1 67 67 LEU N N 15 123.851 0.099 . 1 . . . . 67 Leu N . 26604 1
317 . 1 1 68 68 HIS H H 1 8.907 0.007 . 1 . . . . 68 His H . 26604 1
318 . 1 1 68 68 HIS C C 13 173.445 0.006 . 1 . . . . 68 His C . 26604 1
319 . 1 1 68 68 HIS CA C 13 54.141 0.058 . 1 . . . . 68 His CA . 26604 1
320 . 1 1 68 68 HIS CB C 13 28.255 0.037 . 1 . . . . 68 His CB . 26604 1
321 . 1 1 68 68 HIS N N 15 118.003 0.046 . 1 . . . . 68 His N . 26604 1
322 . 1 1 69 69 LEU H H 1 8.358 0.011 . 1 . . . . 69 Leu H . 26604 1
323 . 1 1 69 69 LEU C C 13 175.051 0.006 . 1 . . . . 69 Leu C . 26604 1
324 . 1 1 69 69 LEU CA C 13 53.638 0.036 . 1 . . . . 69 Leu CA . 26604 1
325 . 1 1 69 69 LEU CB C 13 42.600 0.023 . 1 . . . . 69 Leu CB . 26604 1
326 . 1 1 69 69 LEU N N 15 125.094 0.031 . 1 . . . . 69 Leu N . 26604 1
327 . 1 1 70 70 VAL H H 1 9.240 0.027 . 1 . . . . 70 Val H . 26604 1
328 . 1 1 70 70 VAL C C 13 173.840 0.000 . 1 . . . . 70 Val C . 26604 1
329 . 1 1 70 70 VAL CA C 13 60.123 0.056 . 1 . . . . 70 Val CA . 26604 1
330 . 1 1 70 70 VAL CB C 13 33.654 0.018 . 1 . . . . 70 Val CB . 26604 1
331 . 1 1 70 70 VAL N N 15 126.744 0.443 . 1 . . . . 70 Val N . 26604 1
332 . 1 1 71 71 LEU H H 1 8.196 0.020 . 1 . . . . 71 Leu H . 26604 1
333 . 1 1 71 71 LEU CA C 13 53.462 0.000 . 1 . . . . 71 Leu CA . 26604 1
334 . 1 1 71 71 LEU CB C 13 41.764 0.019 . 1 . . . . 71 Leu CB . 26604 1
335 . 1 1 71 71 LEU N N 15 122.975 0.142 . 1 . . . . 71 Leu N . 26604 1
stop_
save_