Content for NMR-STAR saveframe, assigned_chemical_shifts_1
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 52829
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'SN2 Chemical Shift List'
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N TROSY' . . . 52829 1
2 '3D HNCO' . . . 52829 1
3 '3D HNCA' . . . 52829 1
4 '3D HNCB' . . . 52829 1
5 '3D HNCACO' . . . 52829 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 $software_1 . . 52829 1
2 $software_2 . . 52829 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 1 1 ALA H H 1 8.261 0.001 . 1 . . . . . 141 A H . 52829 1
2 . 1 . 1 1 1 ALA C C 13 177.757 0.005 . 1 . . . . . 141 A CO . 52829 1
3 . 1 . 1 1 1 ALA CA C 13 52.723 0.000 . 1 . . . . . 141 A CA . 52829 1
4 . 1 . 1 1 1 ALA CB C 13 19.237 0.000 . 1 . . . . . 141 A CB . 52829 1
5 . 1 . 1 1 1 ALA N N 15 126.621 0.040 . 1 . . . . . 141 A N . 52829 1
6 . 1 . 1 2 2 ARG H H 1 8.232 0.001 . 1 . . . . . 142 R H . 52829 1
7 . 1 . 1 2 2 ARG C C 13 176.589 0.008 . 1 . . . . . 142 R CO . 52829 1
8 . 1 . 1 2 2 ARG CA C 13 56.185 0.069 . 1 . . . . . 142 R CA . 52829 1
9 . 1 . 1 2 2 ARG CB C 13 30.710 0.000 . 1 . . . . . 142 R CB . 52829 1
10 . 1 . 1 2 2 ARG N N 15 120.552 0.017 . 1 . . . . . 142 R N . 52829 1
11 . 1 . 1 3 3 GLU H H 1 8.411 0.001 . 1 . . . . . 143 E H . 52829 1
12 . 1 . 1 3 3 GLU C C 13 176.404 0.012 . 1 . . . . . 143 E CO . 52829 1
13 . 1 . 1 3 3 GLU CA C 13 57.294 0.007 . 1 . . . . . 143 E CA . 52829 1
14 . 1 . 1 3 3 GLU CB C 13 30.112 0.081 . 1 . . . . . 143 E CB . 52829 1
15 . 1 . 1 3 3 GLU N N 15 122.240 0.024 . 1 . . . . . 143 E N . 52829 1
16 . 1 . 1 4 4 ASN H H 1 8.342 0.001 . 1 . . . . . 144 N H . 52829 1
17 . 1 . 1 4 4 ASN C C 13 175.164 0.012 . 1 . . . . . 144 N CO . 52829 1
18 . 1 . 1 4 4 ASN CA C 13 53.447 0.013 . 1 . . . . . 144 N CA . 52829 1
19 . 1 . 1 4 4 ASN CB C 13 38.907 0.016 . 1 . . . . . 144 N CB . 52829 1
20 . 1 . 1 4 4 ASN N N 15 118.928 0.018 . 1 . . . . . 144 N N . 52829 1
21 . 1 . 1 5 5 GLU H H 1 8.258 0.001 . 1 . . . . . 145 E H . 52829 1
22 . 1 . 1 5 5 GLU C C 13 176.462 0.012 . 1 . . . . . 145 E CO . 52829 1
23 . 1 . 1 5 5 GLU CA C 13 56.965 0.002 . 1 . . . . . 145 E CA . 52829 1
24 . 1 . 1 5 5 GLU CB C 13 30.053 0.011 . 1 . . . . . 145 E CB . 52829 1
25 . 1 . 1 5 5 GLU N N 15 121.528 0.021 . 1 . . . . . 145 E N . 52829 1
26 . 1 . 1 6 6 MET H H 1 8.247 0.001 . 1 . . . . . 146 M H . 52829 1
27 . 1 . 1 6 6 MET C C 13 175.903 0.017 . 1 . . . . . 146 M CO . 52829 1
28 . 1 . 1 6 6 MET CA C 13 55.609 0.056 . 1 . . . . . 146 M CA . 52829 1
29 . 1 . 1 6 6 MET CB C 13 32.936 0.041 . 1 . . . . . 146 M CB . 52829 1
30 . 1 . 1 6 6 MET N N 15 121.056 0.043 . 1 . . . . . 146 M N . 52829 1
31 . 1 . 1 7 7 ASP H H 1 8.217 0.001 . 1 . . . . . 147 D H . 52829 1
32 . 1 . 1 7 7 ASP C C 13 176.418 0.004 . 1 . . . . . 147 D CO . 52829 1
33 . 1 . 1 7 7 ASP CA C 13 54.467 0.004 . 1 . . . . . 147 D CA . 52829 1
34 . 1 . 1 7 7 ASP CB C 13 41.294 0.012 . 1 . . . . . 147 D CB . 52829 1
35 . 1 . 1 7 7 ASP N N 15 122.441 0.035 . 1 . . . . . 147 D N . 52829 1
36 . 1 . 1 8 8 GLU H H 1 8.393 0.003 . 1 . . . . . 148 E H . 52829 1
37 . 1 . 1 8 8 GLU C C 13 176.278 0.008 . 1 . . . . . 148 E CO . 52829 1
38 . 1 . 1 8 8 GLU CA C 13 57.035 0.017 . 1 . . . . . 148 E CA . 52829 1
39 . 1 . 1 8 8 GLU CB C 13 30.202 0.032 . 1 . . . . . 148 E CB . 52829 1
40 . 1 . 1 8 8 GLU N N 15 122.433 0.034 . 1 . . . . . 148 E N . 52829 1
41 . 1 . 1 9 9 ASN H H 1 8.470 0.001 . 1 . . . . . 149 N H . 52829 1
42 . 1 . 1 9 9 ASN C C 13 175.261 0.006 . 1 . . . . . 149 N CO . 52829 1
43 . 1 . 1 9 9 ASN CA C 13 53.395 0.024 . 1 . . . . . 149 N CA . 52829 1
44 . 1 . 1 9 9 ASN CB C 13 38.764 0.071 . 1 . . . . . 149 N CB . 52829 1
45 . 1 . 1 9 9 ASN N N 15 119.969 0.019 . 1 . . . . . 149 N N . 52829 1
46 . 1 . 1 10 10 LEU H H 1 8.081 0.001 . 1 . . . . . 150 L H . 52829 1
47 . 1 . 1 10 10 LEU C C 13 177.536 0.015 . 1 . . . . . 150 L CO . 52829 1
48 . 1 . 1 10 10 LEU CA C 13 55.520 0.036 . 1 . . . . . 150 L CA . 52829 1
49 . 1 . 1 10 10 LEU CB C 13 42.376 0.113 . 1 . . . . . 150 L CB . 52829 1
50 . 1 . 1 10 10 LEU N N 15 123.114 0.045 . 1 . . . . . 150 L N . 52829 1
51 . 1 . 1 11 11 GLU H H 1 8.269 0.003 . 1 . . . . . 151 E H . 52829 1
52 . 1 . 1 11 11 GLU C C 13 176.430 0.004 . 1 . . . . . 151 E CO . 52829 1
53 . 1 . 1 11 11 GLU CA C 13 56.899 0.000 . 1 . . . . . 151 E CA . 52829 1
54 . 1 . 1 11 11 GLU CB C 13 30.059 0.000 . 1 . . . . . 151 E CB . 52829 1
55 . 1 . 1 11 11 GLU N N 15 121.757 0.034 . 1 . . . . . 151 E N . 52829 1
56 . 1 . 1 12 12 GLN H H 1 8.258 0.001 . 1 . . . . . 152 Q H . 52829 1
57 . 1 . 1 12 12 GLN C C 13 176.012 0.002 . 1 . . . . . 152 Q CO . 52829 1
58 . 1 . 1 12 12 GLN CA C 13 55.669 0.022 . 1 . . . . . 152 Q CA . 52829 1
59 . 1 . 1 12 12 GLN CB C 13 29.123 0.022 . 1 . . . . . 152 Q CB . 52829 1
60 . 1 . 1 12 12 GLN N N 15 121.861 0.040 . 1 . . . . . 152 Q N . 52829 1
61 . 1 . 1 13 13 VAL H H 1 8.134 0.002 . 1 . . . . . 153 V H . 52829 1
62 . 1 . 1 13 13 VAL C C 13 176.194 0.004 . 1 . . . . . 153 V CO . 52829 1
63 . 1 . 1 13 13 VAL CA C 13 62.523 0.001 . 1 . . . . . 153 V CA . 52829 1
64 . 1 . 1 13 13 VAL CB C 13 32.736 0.067 . 1 . . . . . 153 V CB . 52829 1
65 . 1 . 1 13 13 VAL N N 15 121.952 0.050 . 1 . . . . . 153 V N . 52829 1
66 . 1 . 1 14 14 SER H H 1 8.293 0.002 . 1 . . . . . 154 S H . 52829 1
67 . 1 . 1 14 14 SER C C 13 174.362 0.009 . 1 . . . . . 154 S CO . 52829 1
68 . 1 . 1 14 14 SER CA C 13 58.501 0.012 . 1 . . . . . 154 S CA . 52829 1
69 . 1 . 1 14 14 SER CB C 13 64.008 0.005 . 1 . . . . . 154 S CB . 52829 1
70 . 1 . 1 14 14 SER N N 15 119.616 0.019 . 1 . . . . . 154 S N . 52829 1
71 . 1 . 1 15 15 ASP H H 1 8.310 0.001 . 1 . . . . . 155 D H . 52829 1
72 . 1 . 1 15 15 ASP C C 13 176.247 0.018 . 1 . . . . . 155 D CO . 52829 1
73 . 1 . 1 15 15 ASP CA C 13 54.507 0.009 . 1 . . . . . 155 D CA . 52829 1
74 . 1 . 1 15 15 ASP CB C 13 41.118 0.065 . 1 . . . . . 155 D CB . 52829 1
75 . 1 . 1 15 15 ASP N N 15 123.411 0.024 . 1 . . . . . 155 D N . 52829 1
76 . 1 . 1 16 16 ILE H H 1 7.962 0.000 . 1 . . . . . 156 I H . 52829 1
77 . 1 . 1 16 16 ILE C C 13 176.730 0.024 . 1 . . . . . 156 I CO . 52829 1
78 . 1 . 1 16 16 ILE CA C 13 61.898 0.000 . 1 . . . . . 156 I CA . 52829 1
79 . 1 . 1 16 16 ILE CB C 13 38.494 0.000 . 1 . . . . . 156 I CB . 52829 1
80 . 1 . 1 16 16 ILE N N 15 121.036 0.022 . 1 . . . . . 156 I N . 52829 1
81 . 1 . 1 17 17 ILE H H 1 8.006 0.000 . 1 . . . . . 157 I H . 52829 1
82 . 1 . 1 17 17 ILE C C 13 177.182 0.006 . 1 . . . . . 157 I CO . 52829 1
83 . 1 . 1 17 17 ILE CA C 13 61.877 0.003 . 1 . . . . . 157 I CA . 52829 1
84 . 1 . 1 17 17 ILE CB C 13 38.319 0.001 . 1 . . . . . 157 I CB . 52829 1
85 . 1 . 1 17 17 ILE N N 15 124.132 0.029 . 1 . . . . . 157 I N . 52829 1
86 . 1 . 1 18 18 GLY H H 1 8.326 0.001 . 1 . . . . . 158 G H . 52829 1
87 . 1 . 1 18 18 GLY C C 13 174.321 0.008 . 1 . . . . . 158 G CO . 52829 1
88 . 1 . 1 18 18 GLY CA C 13 45.714 0.002 . 1 . . . . . 158 G CA . 52829 1
89 . 1 . 1 18 18 GLY N N 15 112.222 0.016 . 1 . . . . . 158 G N . 52829 1
90 . 1 . 1 19 19 ASN H H 1 8.183 0.000 . 1 . . . . . 159 N H . 52829 1
91 . 1 . 1 19 19 ASN C C 13 175.603 0.012 . 1 . . . . . 159 N CO . 52829 1
92 . 1 . 1 19 19 ASN CA C 13 53.563 0.042 . 1 . . . . . 159 N CA . 52829 1
93 . 1 . 1 19 19 ASN CB C 13 38.812 0.018 . 1 . . . . . 159 N CB . 52829 1
94 . 1 . 1 19 19 ASN N N 15 119.482 0.018 . 1 . . . . . 159 N N . 52829 1
95 . 1 . 1 20 20 LEU H H 1 8.098 0.001 . 1 . . . . . 160 L H . 52829 1
96 . 1 . 1 20 20 LEU C C 13 177.690 0.010 . 1 . . . . . 160 L CO . 52829 1
97 . 1 . 1 20 20 LEU CA C 13 55.913 0.020 . 1 . . . . . 160 L CA . 52829 1
98 . 1 . 1 20 20 LEU CB C 13 42.189 0.007 . 1 . . . . . 160 L CB . 52829 1
99 . 1 . 1 20 20 LEU N N 15 122.635 0.034 . 1 . . . . . 160 L N . 52829 1
100 . 1 . 1 21 21 ARG H H 1 8.127 0.002 . 1 . . . . . 161 R H . 52829 1
101 . 1 . 1 21 21 ARG C C 13 176.356 0.008 . 1 . . . . . 161 R CO . 52829 1
102 . 1 . 1 21 21 ARG CA C 13 56.618 0.020 . 1 . . . . . 161 R CA . 52829 1
103 . 1 . 1 21 21 ARG CB C 13 30.560 0.000 . 1 . . . . . 161 R CB . 52829 1
104 . 1 . 1 21 21 ARG N N 15 121.181 0.051 . 1 . . . . . 161 R N . 52829 1
105 . 1 . 1 22 22 HIS H H 1 8.268 0.002 . 1 . . . . . 162 H H . 52829 1
106 . 1 . 1 22 22 HIS C C 13 174.901 0.017 . 1 . . . . . 162 H CO . 52829 1
107 . 1 . 1 22 22 HIS CA C 13 56.026 0.000 . 1 . . . . . 162 H CA . 52829 1
108 . 1 . 1 22 22 HIS CB C 13 29.598 0.148 . 1 . . . . . 162 H CB . 52829 1
109 . 1 . 1 22 22 HIS N N 15 120.059 0.021 . 1 . . . . . 162 H N . 52829 1
110 . 1 . 1 23 23 MET H H 1 8.195 0.000 . 1 . . . . . 163 M H . 52829 1
111 . 1 . 1 23 23 MET C C 13 175.737 0.006 . 1 . . . . . 163 M CO . 52829 1
112 . 1 . 1 23 23 MET CA C 13 55.719 0.066 . 1 . . . . . 163 M CA . 52829 1
113 . 1 . 1 23 23 MET CB C 13 33.001 0.020 . 1 . . . . . 163 M CB . 52829 1
114 . 1 . 1 23 23 MET N N 15 122.134 0.037 . 1 . . . . . 163 M N . 52829 1
115 . 1 . 1 24 24 ALA H H 1 8.205 0.000 . 1 . . . . . 164 A H . 52829 1
116 . 1 . 1 24 24 ALA C C 13 177.599 0.013 . 1 . . . . . 164 A CO . 52829 1
117 . 1 . 1 24 24 ALA CA C 13 52.543 0.021 . 1 . . . . . 164 A CA . 52829 1
118 . 1 . 1 24 24 ALA CB C 13 19.164 0.004 . 1 . . . . . 164 A CB . 52829 1
119 . 1 . 1 24 24 ALA N N 15 125.617 0.028 . 1 . . . . . 164 A N . 52829 1
120 . 1 . 1 25 25 LEU H H 1 8.095 0.001 . 1 . . . . . 165 L H . 52829 1
121 . 1 . 1 25 25 LEU C C 13 177.089 0.010 . 1 . . . . . 165 L CO . 52829 1
122 . 1 . 1 25 25 LEU CA C 13 55.331 0.048 . 1 . . . . . 165 L CA . 52829 1
123 . 1 . 1 25 25 LEU CB C 13 42.571 0.064 . 1 . . . . . 165 L CB . 52829 1
124 . 1 . 1 25 25 LEU N N 15 121.761 0.024 . 1 . . . . . 165 L N . 52829 1
125 . 1 . 1 26 26 ASP H H 1 8.230 0.001 . 1 . . . . . 166 D H . 52829 1
126 . 1 . 1 26 26 ASP C C 13 176.356 0.012 . 1 . . . . . 166 D CO . 52829 1
127 . 1 . 1 26 26 ASP CA C 13 54.243 0.022 . 1 . . . . . 166 D CA . 52829 1
128 . 1 . 1 26 26 ASP CB C 13 41.094 0.047 . 1 . . . . . 166 D CB . 52829 1
129 . 1 . 1 26 26 ASP N N 15 121.392 0.015 . 1 . . . . . 166 D N . 52829 1
130 . 1 . 1 27 27 MET H H 1 8.266 0.002 . 1 . . . . . 167 M H . 52829 1
131 . 1 . 1 27 27 MET C C 13 176.984 0.007 . 1 . . . . . 167 M CO . 52829 1
132 . 1 . 1 27 27 MET CA C 13 55.623 0.010 . 1 . . . . . 167 M CA . 52829 1
133 . 1 . 1 27 27 MET CB C 13 32.577 0.010 . 1 . . . . . 167 M CB . 52829 1
134 . 1 . 1 27 27 MET N N 15 121.630 0.067 . 1 . . . . . 167 M N . 52829 1
135 . 1 . 1 28 28 GLY H H 1 8.431 0.000 . 1 . . . . . 168 G H . 52829 1
136 . 1 . 1 28 28 GLY C C 13 174.030 0.010 . 1 . . . . . 168 G CO . 52829 1
137 . 1 . 1 28 28 GLY CA C 13 45.621 0.025 . 1 . . . . . 168 G CA . 52829 1
138 . 1 . 1 28 28 GLY N N 15 110.103 0.017 . 1 . . . . . 168 G N . 52829 1
139 . 1 . 1 29 29 ASN H H 1 8.233 0.001 . 1 . . . . . 169 N H . 52829 1
140 . 1 . 1 29 29 ASN C C 13 175.310 0.012 . 1 . . . . . 169 N CO . 52829 1
141 . 1 . 1 29 29 ASN CA C 13 53.225 0.013 . 1 . . . . . 169 N CA . 52829 1
142 . 1 . 1 29 29 ASN CB C 13 39.224 0.007 . 1 . . . . . 169 N CB . 52829 1
143 . 1 . 1 29 29 ASN N N 15 119.189 0.025 . 1 . . . . . 169 N N . 52829 1
144 . 1 . 1 30 30 GLU H H 1 8.448 0.000 . 1 . . . . . 170 E H . 52829 1
145 . 1 . 1 30 30 GLU C C 13 176.634 0.030 . 1 . . . . . 170 E CO . 52829 1
146 . 1 . 1 30 30 GLU CA C 13 57.048 0.000 . 1 . . . . . 170 E CA . 52829 1
147 . 1 . 1 30 30 GLU CB C 13 30.069 0.112 . 1 . . . . . 170 E CB . 52829 1
148 . 1 . 1 30 30 GLU N N 15 121.988 0.026 . 1 . . . . . 170 E N . 52829 1
149 . 1 . 1 31 31 ILE H H 1 8.072 0.000 . 1 . . . . . 171 I H . 52829 1
150 . 1 . 1 31 31 ILE C C 13 176.093 0.026 . 1 . . . . . 171 I CO . 52829 1
151 . 1 . 1 31 31 ILE CA C 13 61.532 0.045 . 1 . . . . . 171 I CA . 52829 1
152 . 1 . 1 31 31 ILE CB C 13 38.695 0.066 . 1 . . . . . 171 I CB . 52829 1
153 . 1 . 1 31 31 ILE N N 15 121.788 0.046 . 1 . . . . . 171 I N . 52829 1
154 . 1 . 1 32 32 ASP H H 1 8.330 0.001 . 1 . . . . . 172 D H . 52829 1
155 . 1 . 1 32 32 ASP C C 13 176.952 0.010 . 1 . . . . . 172 D CO . 52829 1
156 . 1 . 1 32 32 ASP CA C 13 54.465 0.020 . 1 . . . . . 172 D CA . 52829 1
157 . 1 . 1 32 32 ASP CB C 13 41.215 0.073 . 1 . . . . . 172 D CB . 52829 1
158 . 1 . 1 32 32 ASP N N 15 124.518 0.023 . 1 . . . . . 172 D N . 52829 1
159 . 1 . 1 33 33 THR H H 1 8.061 0.001 . 1 . . . . . 173 T H . 52829 1
160 . 1 . 1 33 33 THR C C 13 175.281 0.018 . 1 . . . . . 173 T CO . 52829 1
161 . 1 . 1 33 33 THR CA C 13 62.647 0.012 . 1 . . . . . 173 T CA . 52829 1
162 . 1 . 1 33 33 THR CB C 13 69.399 0.047 . 1 . . . . . 173 T CB . 52829 1
163 . 1 . 1 33 33 THR N N 15 115.112 0.022 . 1 . . . . . 173 T N . 52829 1
164 . 1 . 1 34 34 GLN H H 1 8.295 0.001 . 1 . . . . . 174 Q H . 52829 1
165 . 1 . 1 34 34 GLN C C 13 176.108 0.018 . 1 . . . . . 174 Q CO . 52829 1
166 . 1 . 1 34 34 GLN CA C 13 56.632 0.005 . 1 . . . . . 174 Q CA . 52829 1
167 . 1 . 1 34 34 GLN CB C 13 29.019 0.025 . 1 . . . . . 174 Q CB . 52829 1
168 . 1 . 1 34 34 GLN N N 15 122.152 0.033 . 1 . . . . . 174 Q N . 52829 1
169 . 1 . 1 35 35 ASN H H 1 8.278 0.002 . 1 . . . . . 175 N H . 52829 1
170 . 1 . 1 35 35 ASN C C 13 175.194 0.005 . 1 . . . . . 175 N CO . 52829 1
171 . 1 . 1 35 35 ASN CA C 13 53.458 0.009 . 1 . . . . . 175 N CA . 52829 1
172 . 1 . 1 35 35 ASN CB C 13 38.745 0.077 . 1 . . . . . 175 N CB . 52829 1
173 . 1 . 1 35 35 ASN N N 15 119.530 0.032 . 1 . . . . . 175 N N . 52829 1
174 . 1 . 1 36 36 ARG H H 1 8.147 0.002 . 1 . . . . . 176 R H . 52829 1
175 . 1 . 1 36 36 ARG C C 13 176.287 0.014 . 1 . . . . . 176 R CO . 52829 1
176 . 1 . 1 36 36 ARG CA C 13 56.427 0.000 . 1 . . . . . 176 R CA . 52829 1
177 . 1 . 1 36 36 ARG CB C 13 30.700 0.065 . 1 . . . . . 176 R CB . 52829 1
178 . 1 . 1 36 36 ARG N N 15 121.764 0.043 . 1 . . . . . 176 R N . 52829 1
179 . 1 . 1 37 37 GLN H H 1 8.349 0.000 . 1 . . . . . 177 Q H . 52829 1
180 . 1 . 1 37 37 GLN C C 13 176.195 0.010 . 1 . . . . . 177 Q CO . 52829 1
181 . 1 . 1 37 37 GLN CA C 13 56.127 0.047 . 1 . . . . . 177 Q CA . 52829 1
182 . 1 . 1 37 37 GLN CB C 13 29.020 0.015 . 1 . . . . . 177 Q CB . 52829 1
183 . 1 . 1 37 37 GLN N N 15 122.199 0.022 . 1 . . . . . 177 Q N . 52829 1
184 . 1 . 1 38 38 ILE H H 1 8.054 0.000 . 1 . . . . . 178 I H . 52829 1
185 . 1 . 1 38 38 ILE C C 13 175.877 0.016 . 1 . . . . . 178 I CO . 52829 1
186 . 1 . 1 38 38 ILE CA C 13 61.459 0.001 . 1 . . . . . 178 I CA . 52829 1
187 . 1 . 1 38 38 ILE CB C 13 38.811 0.079 . 1 . . . . . 178 I CB . 52829 1
188 . 1 . 1 38 38 ILE N N 15 122.290 0.027 . 1 . . . . . 178 I N . 52829 1
189 . 1 . 1 39 39 ASP H H 1 8.265 0.000 . 1 . . . . . 179 D H . 52829 1
190 . 1 . 1 39 39 ASP C C 13 176.178 0.012 . 1 . . . . . 179 D CO . 52829 1
191 . 1 . 1 39 39 ASP CA C 13 54.584 0.010 . 1 . . . . . 179 D CA . 52829 1
192 . 1 . 1 39 39 ASP CB C 13 41.225 0.097 . 1 . . . . . 179 D CB . 52829 1
193 . 1 . 1 39 39 ASP N N 15 124.361 0.030 . 1 . . . . . 179 D N . 52829 1
194 . 1 . 1 40 40 ARG H H 1 8.076 0.001 . 1 . . . . . 180 R H . 52829 1
195 . 1 . 1 40 40 ARG C C 13 176.395 0.014 . 1 . . . . . 180 R CO . 52829 1
196 . 1 . 1 40 40 ARG CA C 13 56.255 0.022 . 1 . . . . . 180 R CA . 52829 1
197 . 1 . 1 40 40 ARG CB C 13 30.659 0.041 . 1 . . . . . 180 R CB . 52829 1
198 . 1 . 1 40 40 ARG N N 15 121.729 0.019 . 1 . . . . . 180 R N . 52829 1
199 . 1 . 1 41 41 ILE H H 1 8.175 0.001 . 1 . . . . . 181 I H . 52829 1
200 . 1 . 1 41 41 ILE C C 13 176.007 0.022 . 1 . . . . . 181 I CO . 52829 1
201 . 1 . 1 41 41 ILE CA C 13 61.471 0.000 . 1 . . . . . 181 I CA . 52829 1
202 . 1 . 1 41 41 ILE CB C 13 38.723 0.000 . 1 . . . . . 181 I CB . 52829 1
203 . 1 . 1 41 41 ILE N N 15 123.208 0.020 . 1 . . . . . 181 I N . 52829 1
204 . 1 . 1 42 42 MET H H 1 8.333 0.001 . 1 . . . . . 182 M H . 52829 1
205 . 1 . 1 42 42 MET C C 13 176.190 0.019 . 1 . . . . . 182 M CO . 52829 1
206 . 1 . 1 42 42 MET CA C 13 55.412 0.088 . 1 . . . . . 182 M CA . 52829 1
207 . 1 . 1 42 42 MET CB C 13 32.552 0.000 . 1 . . . . . 182 M CB . 52829 1
208 . 1 . 1 42 42 MET N N 15 124.598 0.036 . 1 . . . . . 182 M N . 52829 1
209 . 1 . 1 43 43 GLU H H 1 8.267 0.001 . 1 . . . . . 183 E H . 52829 1
210 . 1 . 1 43 43 GLU C C 13 176.409 0.032 . 1 . . . . . 183 E CO . 52829 1
211 . 1 . 1 43 43 GLU CA C 13 56.645 0.081 . 1 . . . . . 183 E CA . 52829 1
212 . 1 . 1 43 43 GLU CB C 13 30.218 0.010 . 1 . . . . . 183 E CB . 52829 1
213 . 1 . 1 43 43 GLU N N 15 123.040 0.035 . 1 . . . . . 183 E N . 52829 1
214 . 1 . 1 44 44 LYS H H 1 8.261 0.001 . 1 . . . . . 184 K H . 52829 1
215 . 1 . 1 44 44 LYS C C 13 176.451 0.015 . 1 . . . . . 184 K CO . 52829 1
216 . 1 . 1 44 44 LYS CA C 13 56.288 0.057 . 1 . . . . . 184 K CA . 52829 1
217 . 1 . 1 44 44 LYS CB C 13 33.046 0.022 . 1 . . . . . 184 K CB . 52829 1
218 . 1 . 1 44 44 LYS N N 15 123.019 0.025 . 1 . . . . . 184 K N . 52829 1
219 . 1 . 1 45 45 ALA H H 1 8.291 0.001 . 1 . . . . . 185 A H . 52829 1
220 . 1 . 1 45 45 ALA C C 13 177.644 0.005 . 1 . . . . . 185 A CO . 52829 1
221 . 1 . 1 45 45 ALA CA C 13 52.723 0.015 . 1 . . . . . 185 A CA . 52829 1
222 . 1 . 1 45 45 ALA CB C 13 19.208 0.001 . 1 . . . . . 185 A CB . 52829 1
223 . 1 . 1 45 45 ALA N N 15 126.056 0.033 . 1 . . . . . 185 A N . 52829 1
224 . 1 . 1 46 46 ASP H H 1 8.283 0.001 . 1 . . . . . 186 D H . 52829 1
225 . 1 . 1 46 46 ASP C C 13 176.724 0.019 . 1 . . . . . 186 D CO . 52829 1
226 . 1 . 1 46 46 ASP CA C 13 54.320 0.012 . 1 . . . . . 186 D CA . 52829 1
227 . 1 . 1 46 46 ASP CB C 13 41.187 0.013 . 1 . . . . . 186 D CB . 52829 1
228 . 1 . 1 46 46 ASP N N 15 120.379 0.022 . 1 . . . . . 186 D N . 52829 1
229 . 1 . 1 47 47 SER H H 1 8.207 0.001 . 1 . . . . . 187 S H . 52829 1
230 . 1 . 1 47 47 SER C C 13 174.744 0.014 . 1 . . . . . 187 S CO . 52829 1
231 . 1 . 1 47 47 SER CA C 13 59.105 0.021 . 1 . . . . . 187 S CA . 52829 1
232 . 1 . 1 47 47 SER CB C 13 63.728 0.040 . 1 . . . . . 187 S CB . 52829 1
233 . 1 . 1 47 47 SER N N 15 117.371 0.036 . 1 . . . . . 187 S N . 52829 1
234 . 1 . 1 48 48 ASN H H 1 8.417 0.000 . 1 . . . . . 188 N H . 52829 1
235 . 1 . 1 48 48 ASN C C 13 175.425 0.018 . 1 . . . . . 188 N CO . 52829 1
236 . 1 . 1 48 48 ASN CA C 13 53.730 0.037 . 1 . . . . . 188 N CA . 52829 1
237 . 1 . 1 48 48 ASN CB C 13 38.785 0.000 . 1 . . . . . 188 N CB . 52829 1
238 . 1 . 1 48 48 ASN N N 15 121.107 0.027 . 1 . . . . . 188 N N . 52829 1
239 . 1 . 1 49 49 LYS H H 1 8.069 0.001 . 1 . . . . . 189 K H . 52829 1
240 . 1 . 1 49 49 LYS C C 13 176.900 0.016 . 1 . . . . . 189 K CO . 52829 1
241 . 1 . 1 49 49 LYS CA C 13 56.882 0.062 . 1 . . . . . 189 K CA . 52829 1
242 . 1 . 1 49 49 LYS CB C 13 32.928 0.040 . 1 . . . . . 189 K CB . 52829 1
243 . 1 . 1 49 49 LYS N N 15 121.867 0.033 . 1 . . . . . 189 K N . 52829 1
244 . 1 . 1 50 50 THR H H 1 8.068 0.002 . 1 . . . . . 190 T H . 52829 1
245 . 1 . 1 50 50 THR C C 13 174.618 0.015 . 1 . . . . . 190 T CO . 52829 1
246 . 1 . 1 50 50 THR CA C 13 62.660 0.042 . 1 . . . . . 190 T CA . 52829 1
247 . 1 . 1 50 50 THR CB C 13 69.691 0.027 . 1 . . . . . 190 T CB . 52829 1
248 . 1 . 1 50 50 THR N N 15 115.766 0.046 . 1 . . . . . 190 T N . 52829 1
249 . 1 . 1 51 51 ARG H H 1 8.209 0.003 . 1 . . . . . 191 R H . 52829 1
250 . 1 . 1 51 51 ARG C C 13 176.692 0.016 . 1 . . . . . 191 R CO . 52829 1
251 . 1 . 1 51 51 ARG CA C 13 56.505 0.026 . 1 . . . . . 191 R CA . 52829 1
252 . 1 . 1 51 51 ARG CB C 13 30.572 0.071 . 1 . . . . . 191 R CB . 52829 1
253 . 1 . 1 51 51 ARG N N 15 124.283 0.032 . 1 . . . . . 191 R N . 52829 1
254 . 1 . 1 52 52 ILE H H 1 8.145 0.001 . 1 . . . . . 192 I H . 52829 1
255 . 1 . 1 52 52 ILE C C 13 176.138 0.027 . 1 . . . . . 192 I CO . 52829 1
256 . 1 . 1 52 52 ILE CA C 13 61.681 0.060 . 1 . . . . . 192 I CA . 52829 1
257 . 1 . 1 52 52 ILE CB C 13 38.605 0.056 . 1 . . . . . 192 I CB . 52829 1
258 . 1 . 1 52 52 ILE N N 15 123.174 0.025 . 1 . . . . . 192 I N . 52829 1
259 . 1 . 1 53 53 ASP H H 1 8.352 0.001 . 1 . . . . . 193 D H . 52829 1
260 . 1 . 1 53 53 ASP C C 13 176.920 0.021 . 1 . . . . . 193 D CO . 52829 1
261 . 1 . 1 53 53 ASP CA C 13 54.620 0.011 . 1 . . . . . 193 D CA . 52829 1
262 . 1 . 1 53 53 ASP CB C 13 41.097 0.002 . 1 . . . . . 193 D CB . 52829 1
263 . 1 . 1 53 53 ASP N N 15 124.542 0.034 . 1 . . . . . 193 D N . 52829 1
264 . 1 . 1 54 54 GLU H H 1 8.280 0.003 . 1 . . . . . 194 E H . 52829 1
265 . 1 . 1 54 54 GLU C C 13 177.200 0.015 . 1 . . . . . 194 E CO . 52829 1
266 . 1 . 1 54 54 GLU CA C 13 57.740 0.019 . 1 . . . . . 194 E CA . 52829 1
267 . 1 . 1 54 54 GLU CB C 13 29.907 0.011 . 1 . . . . . 194 E CB . 52829 1
268 . 1 . 1 54 54 GLU N N 15 122.568 0.044 . 1 . . . . . 194 E N . 52829 1
269 . 1 . 1 55 55 ALA H H 1 8.207 0.001 . 1 . . . . . 195 A H . 52829 1
270 . 1 . 1 55 55 ALA C C 13 178.532 0.004 . 1 . . . . . 195 A CO . 52829 1
271 . 1 . 1 55 55 ALA CA C 13 53.468 0.106 . 1 . . . . . 195 A CA . 52829 1
272 . 1 . 1 55 55 ALA CB C 13 18.716 0.016 . 1 . . . . . 195 A CB . 52829 1
273 . 1 . 1 55 55 ALA N N 15 124.036 0.027 . 1 . . . . . 195 A N . 52829 1
274 . 1 . 1 56 56 ASN H H 1 8.168 0.000 . 1 . . . . . 196 N H . 52829 1
275 . 1 . 1 56 56 ASN C C 13 175.866 0.003 . 1 . . . . . 196 N CO . 52829 1
276 . 1 . 1 56 56 ASN CA C 13 53.779 0.012 . 1 . . . . . 196 N CA . 52829 1
277 . 1 . 1 56 56 ASN CB C 13 38.761 0.058 . 1 . . . . . 196 N CB . 52829 1
278 . 1 . 1 56 56 ASN N N 15 117.582 0.023 . 1 . . . . . 196 N N . 52829 1
279 . 1 . 1 57 57 GLN H H 1 8.126 0.001 . 1 . . . . . 197 Q H . 52829 1
280 . 1 . 1 57 57 GLN C C 13 176.497 0.004 . 1 . . . . . 197 Q CO . 52829 1
281 . 1 . 1 57 57 GLN CA C 13 56.669 0.000 . 1 . . . . . 197 Q CA . 52829 1
282 . 1 . 1 57 57 GLN CB C 13 29.017 0.000 . 1 . . . . . 197 Q CB . 52829 1
283 . 1 . 1 57 57 GLN N N 15 120.834 0.029 . 1 . . . . . 197 Q N . 52829 1
284 . 1 . 1 58 58 ARG H H 1 8.138 0.001 . 1 . . . . . 198 R H . 52829 1
285 . 1 . 1 58 58 ARG C C 13 176.444 0.008 . 1 . . . . . 198 R CO . 52829 1
286 . 1 . 1 58 58 ARG CA C 13 56.724 0.042 . 1 . . . . . 198 R CA . 52829 1
287 . 1 . 1 58 58 ARG CB C 13 30.632 0.003 . 1 . . . . . 198 R CB . 52829 1
288 . 1 . 1 58 58 ARG N N 15 121.597 0.046 . 1 . . . . . 198 R N . 52829 1
289 . 1 . 1 59 59 ALA H H 1 8.128 0.001 . 1 . . . . . 199 A H . 52829 1
290 . 1 . 1 59 59 ALA C C 13 178.155 0.004 . 1 . . . . . 199 A CO . 52829 1
291 . 1 . 1 59 59 ALA CA C 13 52.933 0.002 . 1 . . . . . 199 A CA . 52829 1
292 . 1 . 1 59 59 ALA CB C 13 19.124 0.044 . 1 . . . . . 199 A CB . 52829 1
293 . 1 . 1 59 59 ALA N N 15 124.831 0.034 . 1 . . . . . 199 A N . 52829 1
294 . 1 . 1 60 60 THR H H 1 7.984 0.000 . 1 . . . . . 200 T H . 52829 1
295 . 1 . 1 60 60 THR C C 13 174.617 0.014 . 1 . . . . . 200 T CO . 52829 1
296 . 1 . 1 60 60 THR CA C 13 62.294 0.013 . 1 . . . . . 200 T CA . 52829 1
297 . 1 . 1 60 60 THR CB C 13 69.833 0.030 . 1 . . . . . 200 T CB . 52829 1
298 . 1 . 1 60 60 THR N N 15 113.968 0.022 . 1 . . . . . 200 T N . 52829 1
299 . 1 . 1 61 61 LYS H H 1 8.143 0.001 . 1 . . . . . 201 K H . 52829 1
300 . 1 . 1 61 61 LYS C C 13 176.324 0.017 . 1 . . . . . 201 K CO . 52829 1
301 . 1 . 1 61 61 LYS CA C 13 56.373 0.044 . 1 . . . . . 201 K CA . 52829 1
302 . 1 . 1 61 61 LYS CB C 13 32.950 0.024 . 1 . . . . . 201 K CB . 52829 1
303 . 1 . 1 61 61 LYS N N 15 124.153 0.026 . 1 . . . . . 201 K N . 52829 1
304 . 1 . 1 62 62 MET H H 1 8.285 0.002 . 1 . . . . . 202 M H . 52829 1
305 . 1 . 1 62 62 MET C C 13 176.024 0.017 . 1 . . . . . 202 M CO . 52829 1
306 . 1 . 1 62 62 MET CA C 13 55.634 0.046 . 1 . . . . . 202 M CA . 52829 1
307 . 1 . 1 62 62 MET CB C 13 32.637 0.029 . 1 . . . . . 202 M CB . 52829 1
308 . 1 . 1 62 62 MET N N 15 122.376 0.050 . 1 . . . . . 202 M N . 52829 1
309 . 1 . 1 63 63 LEU H H 1 8.189 0.001 . 1 . . . . . 203 L H . 52829 1
310 . 1 . 1 63 63 LEU C C 13 176.709 0.006 . 1 . . . . . 203 L CO . 52829 1
311 . 1 . 1 63 63 LEU CA C 13 55.160 0.020 . 1 . . . . . 203 L CA . 52829 1
312 . 1 . 1 63 63 LEU CB C 13 42.549 0.008 . 1 . . . . . 203 L CB . 52829 1
313 . 1 . 1 63 63 LEU N N 15 124.315 0.023 . 1 . . . . . 203 L N . 52829 1
314 . 1 . 1 64 64 GLY H H 1 7.857 0.001 . 1 . . . . . 204 G H . 52829 1
315 . 1 . 1 64 64 GLY C C 13 178.905 0.000 . 1 . . . . . 204 G CO . 52829 1
316 . 1 . 1 64 64 GLY CA C 13 46.126 0.008 . 1 . . . . . 204 G CA . 52829 1
317 . 1 . 1 64 64 GLY N N 15 116.363 0.021 . 1 . . . . . 204 G N . 52829 1
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