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 50738
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name s4linker
_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 0.01
_Assigned_chem_shift_list.Chem_shift_13C_err 0.1
_Assigned_chem_shift_list.Chem_shift_15N_err 0.2
_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
2 '3D CBCA(CO)NH' . . . 50738 1
3 '3D CBCACONH' . . . 50738 1
4 HNCACONH . . . 50738 1
5 HNCANH . . . 50738 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 $software_3 . . 50738 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 19 19 PRO CA C 13 59.786 0.026 . 1 . . . . . 174 PRO CA . 50738 1
2 . 1 . 1 19 19 PRO CB C 13 29.356 0.021 . 1 . . . . . 174 PRO CB . 50738 1
3 . 1 . 1 20 20 LEU H H 1 8.230 0.001 . 1 . . . . . 175 LEU H . 50738 1
4 . 1 . 1 20 20 LEU CA C 13 50.124 0.000 . 1 . . . . . 175 LEU CA . 50738 1
5 . 1 . 1 20 20 LEU CB C 13 38.572 0.000 . 1 . . . . . 175 LEU CB . 50738 1
6 . 1 . 1 20 20 LEU N N 15 124.963 0.028 . 1 . . . . . 175 LEU N . 50738 1
7 . 1 . 1 22 22 PRO CA C 13 59.765 0.011 . 1 . . . . . 177 PRO CA . 50738 1
8 . 1 . 1 22 22 PRO CB C 13 29.154 0.004 . 1 . . . . . 177 PRO CB . 50738 1
9 . 1 . 1 23 23 VAL H H 1 7.978 0.001 . 1 . . . . . 178 VAL H . 50738 1
10 . 1 . 1 23 23 VAL CA C 13 59.517 0.206 . 1 . . . . . 178 VAL CA . 50738 1
11 . 1 . 1 23 23 VAL CB C 13 29.486 0.260 . 1 . . . . . 178 VAL CB . 50738 1
12 . 1 . 1 23 23 VAL N N 15 121.835 0.041 . 1 . . . . . 178 VAL N . 50738 1
13 . 1 . 1 24 24 LEU H H 1 8.131 0.002 . 1 . . . . . 179 LEU H . 50738 1
14 . 1 . 1 24 24 LEU CA C 13 51.861 0.005 . 1 . . . . . 179 LEU CA . 50738 1
15 . 1 . 1 24 24 LEU CB C 13 39.344 0.035 . 1 . . . . . 179 LEU CB . 50738 1
16 . 1 . 1 24 24 LEU N N 15 127.931 0.046 . 1 . . . . . 179 LEU N . 50738 1
17 . 1 . 1 25 25 VAL H H 1 7.966 0.002 . 1 . . . . . 180 VAL H . 50738 1
18 . 1 . 1 25 25 VAL CA C 13 56.862 0.000 . 1 . . . . . 180 VAL CA . 50738 1
19 . 1 . 1 25 25 VAL CB C 13 29.685 0.000 . 1 . . . . . 180 VAL CB . 50738 1
20 . 1 . 1 25 25 VAL N N 15 124.874 0.046 . 1 . . . . . 180 VAL N . 50738 1
21 . 1 . 1 26 26 PRO CA C 13 59.405 0.008 . 1 . . . . . 181 PRO CA . 50738 1
22 . 1 . 1 26 26 PRO CB C 13 29.815 0.042 . 1 . . . . . 181 PRO CB . 50738 1
23 . 1 . 1 27 27 ARG H H 1 8.228 0.001 . 1 . . . . . 182 ARG H . 50738 1
24 . 1 . 1 27 27 ARG CA C 13 49.860 0.005 . 1 . . . . . 182 ARG CA . 50738 1
25 . 1 . 1 27 27 ARG CB C 13 35.845 0.012 . 1 . . . . . 182 ARG CB . 50738 1
26 . 1 . 1 27 27 ARG N N 15 123.477 0.043 . 1 . . . . . 182 ARG N . 50738 1
27 . 1 . 1 28 28 HIS H H 1 8.382 0.002 . 1 . . . . . 183 HIS H . 50738 1
28 . 1 . 1 28 28 HIS CA C 13 52.704 0.000 . 1 . . . . . 183 HIS CA . 50738 1
29 . 1 . 1 28 28 HIS CB C 13 26.166 0.069 . 1 . . . . . 183 HIS CB . 50738 1
30 . 1 . 1 28 28 HIS N N 15 121.331 0.017 . 1 . . . . . 183 HIS N . 50738 1
31 . 1 . 1 29 29 THR H H 1 7.968 0.001 . 1 . . . . . 184 THR H . 50738 1
32 . 1 . 1 29 29 THR CA C 13 58.970 0.022 . 1 . . . . . 184 THR CA . 50738 1
33 . 1 . 1 29 29 THR CB C 13 66.848 0.008 . 1 . . . . . 184 THR CB . 50738 1
34 . 1 . 1 29 29 THR N N 15 117.629 0.008 . 1 . . . . . 184 THR N . 50738 1
35 . 1 . 1 30 30 GLU H H 1 8.290 0.024 . 1 . . . . . 185 GLU H . 50738 1
36 . 1 . 1 30 30 GLU CA C 13 53.421 0.008 . 1 . . . . . 185 GLU CA . 50738 1
37 . 1 . 1 30 30 GLU CB C 13 27.307 0.037 . 1 . . . . . 185 GLU CB . 50738 1
38 . 1 . 1 30 30 GLU N N 15 124.621 0.025 . 1 . . . . . 185 GLU N . 50738 1
39 . 1 . 1 31 31 ILE H H 1 8.018 0.003 . 1 . . . . . 186 ILE H . 50738 1
40 . 1 . 1 31 31 ILE CA C 13 58.073 0.010 . 1 . . . . . 186 ILE CA . 50738 1
41 . 1 . 1 31 31 ILE CB C 13 35.511 0.046 . 1 . . . . . 186 ILE CB . 50738 1
42 . 1 . 1 31 31 ILE N N 15 123.612 0.031 . 1 . . . . . 186 ILE N . 50738 1
43 . 1 . 1 32 32 LEU H H 1 8.202 0.001 . 1 . . . . . 187 LEU H . 50738 1
44 . 1 . 1 32 32 LEU CA C 13 52.154 0.017 . 1 . . . . . 187 LEU CA . 50738 1
45 . 1 . 1 32 32 LEU CB C 13 39.315 0.066 . 1 . . . . . 187 LEU CB . 50738 1
46 . 1 . 1 32 32 LEU N N 15 128.133 0.047 . 1 . . . . . 187 LEU N . 50738 1
47 . 1 . 1 33 33 THR H H 1 7.859 0.003 . 1 . . . . . 188 THR H . 50738 1
48 . 1 . 1 33 33 THR CA C 13 58.872 0.028 . 1 . . . . . 188 THR CA . 50738 1
49 . 1 . 1 33 33 THR CB C 13 66.845 0.013 . 1 . . . . . 188 THR CB . 50738 1
50 . 1 . 1 33 33 THR N N 15 116.199 0.040 . 1 . . . . . 188 THR N . 50738 1
51 . 1 . 1 34 34 GLU H H 1 8.066 0.002 . 1 . . . . . 189 GLU H . 50738 1
52 . 1 . 1 34 34 GLU CA C 13 53.113 0.024 . 1 . . . . . 189 GLU CA . 50738 1
53 . 1 . 1 34 34 GLU CB C 13 27.515 0.088 . 1 . . . . . 189 GLU CB . 50738 1
54 . 1 . 1 34 34 GLU N N 15 124.128 0.048 . 1 . . . . . 189 GLU N . 50738 1
55 . 1 . 1 35 35 LEU H H 1 8.112 0.002 . 1 . . . . . 190 LEU H . 50738 1
56 . 1 . 1 35 35 LEU CA C 13 50.014 0.000 . 1 . . . . . 190 LEU CA . 50738 1
57 . 1 . 1 35 35 LEU CB C 13 38.497 0.000 . 1 . . . . . 190 LEU CB . 50738 1
58 . 1 . 1 35 35 LEU N N 15 126.108 0.044 . 1 . . . . . 190 LEU N . 50738 1
59 . 1 . 1 37 37 PRO CA C 13 59.657 0.007 . 1 . . . . . 192 PRO CA . 50738 1
60 . 1 . 1 37 37 PRO CB C 13 29.100 0.000 . 1 . . . . . 192 PRO CB . 50738 1
61 . 1 . 1 38 38 LEU H H 1 8.082 0.001 . 1 . . . . . 193 LEU H . 50738 1
62 . 1 . 1 38 38 LEU CA C 13 52.267 0.032 . 1 . . . . . 193 LEU CA . 50738 1
63 . 1 . 1 38 38 LEU CB C 13 39.493 0.015 . 1 . . . . . 193 LEU CB . 50738 1
64 . 1 . 1 38 38 LEU N N 15 123.144 0.033 . 1 . . . . . 193 LEU N . 50738 1
65 . 1 . 1 39 39 ASP H H 1 7.989 0.001 . 1 . . . . . 194 ASP H . 50738 1
66 . 1 . 1 39 39 ASP CA C 13 51.141 0.038 . 1 . . . . . 194 ASP CA . 50738 1
67 . 1 . 1 39 39 ASP CB C 13 38.275 0.060 . 1 . . . . . 194 ASP CB . 50738 1
68 . 1 . 1 39 39 ASP N N 15 121.642 0.043 . 1 . . . . . 194 ASP N . 50738 1
69 . 1 . 1 40 40 ASP H H 1 7.877 0.002 . 1 . . . . . 195 ASP H . 50738 1
70 . 1 . 1 40 40 ASP N N 15 121.075 0.041 . 1 . . . . . 195 ASP N . 50738 1
71 . 1 . 1 41 41 TYR CA C 13 55.372 0.011 . 1 . . . . . 196 TYR CA . 50738 1
72 . 1 . 1 41 41 TYR CB C 13 35.254 0.044 . 1 . . . . . 196 TYR CB . 50738 1
73 . 1 . 1 42 42 THR H H 1 7.830 0.002 . 1 . . . . . 197 THR H . 50738 1
74 . 1 . 1 42 42 THR CA C 13 59.980 0.000 . 1 . . . . . 197 THR CA . 50738 1
75 . 1 . 1 42 42 THR CB C 13 66.609 0.000 . 1 . . . . . 197 THR CB . 50738 1
76 . 1 . 1 42 42 THR N N 15 115.316 0.109 . 1 . . . . . 197 THR N . 50738 1
77 . 1 . 1 44 44 SER H H 1 7.969 0.001 . 1 . . . . . 199 SER H . 50738 1
78 . 1 . 1 44 44 SER CA C 13 55.415 0.008 . 1 . . . . . 199 SER CA . 50738 1
79 . 1 . 1 44 44 SER CB C 13 60.877 0.015 . 1 . . . . . 199 SER CB . 50738 1
80 . 1 . 1 44 44 SER N N 15 117.660 0.008 . 1 . . . . . 199 SER N . 50738 1
81 . 1 . 1 45 45 ILE H H 1 8.033 0.002 . 1 . . . . . 200 ILE H . 50738 1
82 . 1 . 1 45 45 ILE CA C 13 55.803 0.000 . 1 . . . . . 200 ILE CA . 50738 1
83 . 1 . 1 45 45 ILE CB C 13 35.655 0.014 . 1 . . . . . 200 ILE CB . 50738 1
84 . 1 . 1 45 45 ILE N N 15 125.028 0.050 . 1 . . . . . 200 ILE N . 50738 1
85 . 1 . 1 46 46 PRO CA C 13 60.364 0.021 . 1 . . . . . 201 PRO CA . 50738 1
86 . 1 . 1 46 46 PRO CB C 13 29.191 0.012 . 1 . . . . . 201 PRO CB . 50738 1
87 . 1 . 1 47 47 GLU H H 1 8.312 0.002 . 1 . . . . . 202 GLU H . 50738 1
88 . 1 . 1 47 47 GLU CA C 13 53.803 0.014 . 1 . . . . . 202 GLU CA . 50738 1
89 . 1 . 1 47 47 GLU CB C 13 27.344 0.033 . 1 . . . . . 202 GLU CB . 50738 1
90 . 1 . 1 47 47 GLU N N 15 122.089 0.044 . 1 . . . . . 202 GLU N . 50738 1
91 . 1 . 1 48 48 ASN H H 1 8.262 0.002 . 1 . . . . . 203 ASN H . 50738 1
92 . 1 . 1 48 48 ASN CA C 13 50.221 0.019 . 1 . . . . . 203 ASN CA . 50738 1
93 . 1 . 1 48 48 ASN CB C 13 35.830 0.021 . 1 . . . . . 203 ASN CB . 50738 1
94 . 1 . 1 48 48 ASN N N 15 120.517 0.041 . 1 . . . . . 203 ASN N . 50738 1
95 . 1 . 1 49 49 THR H H 1 7.878 0.001 . 1 . . . . . 204 THR H . 50738 1
96 . 1 . 1 49 49 THR CA C 13 58.985 0.029 . 1 . . . . . 204 THR CA . 50738 1
97 . 1 . 1 49 49 THR CB C 13 66.553 0.019 . 1 . . . . . 204 THR CB . 50738 1
98 . 1 . 1 49 49 THR N N 15 115.124 0.048 . 1 . . . . . 204 THR N . 50738 1
99 . 1 . 1 50 50 ASN H H 1 8.020 0.003 . 1 . . . . . 205 ASN H . 50738 1
100 . 1 . 1 50 50 ASN CA C 13 50.207 0.017 . 1 . . . . . 205 ASN CA . 50738 1
101 . 1 . 1 50 50 ASN CB C 13 35.966 0.013 . 1 . . . . . 205 ASN CB . 50738 1
102 . 1 . 1 50 50 ASN N N 15 121.244 0.042 . 1 . . . . . 205 ASN N . 50738 1
103 . 1 . 1 51 51 PHE H H 1 7.890 0.003 . 1 . . . . . 206 PHE H . 50738 1
104 . 1 . 1 51 51 PHE CA C 13 52.766 0.001 . 1 . . . . . 206 PHE CA . 50738 1
105 . 1 . 1 51 51 PHE CB C 13 35.999 0.000 . 1 . . . . . 206 PHE CB . 50738 1
106 . 1 . 1 51 51 PHE N N 15 122.247 0.050 . 1 . . . . . 206 PHE N . 50738 1
107 . 1 . 1 52 52 PRO CA C 13 60.294 0.001 . 1 . . . . . 207 PRO CA . 50738 1
108 . 1 . 1 52 52 PRO CB C 13 29.044 0.000 . 1 . . . . . 207 PRO CB . 50738 1
109 . 1 . 1 53 53 ALA H H 1 8.191 0.001 . 1 . . . . . 208 ALA H . 50738 1
110 . 1 . 1 53 53 ALA CA C 13 49.662 0.017 . 1 . . . . . 208 ALA CA . 50738 1
111 . 1 . 1 53 53 ALA CB C 13 16.215 0.028 . 1 . . . . . 208 ALA CB . 50738 1
112 . 1 . 1 53 53 ALA N N 15 125.039 0.045 . 1 . . . . . 208 ALA N . 50738 1
113 . 1 . 1 54 54 GLY H H 1 8.106 0.002 . 1 . . . . . 209 GLY H . 50738 1
114 . 1 . 1 54 54 GLY CA C 13 42.250 0.014 . 1 . . . . . 209 GLY CA . 50738 1
115 . 1 . 1 54 54 GLY N N 15 108.984 0.044 . 1 . . . . . 209 GLY N . 50738 1
116 . 1 . 1 55 55 ILE H H 1 7.655 0.003 . 1 . . . . . 210 ILE H . 50738 1
117 . 1 . 1 55 55 ILE CA C 13 57.651 0.018 . 1 . . . . . 210 ILE CA . 50738 1
118 . 1 . 1 55 55 ILE CB C 13 35.797 0.103 . 1 . . . . . 210 ILE CB . 50738 1
119 . 1 . 1 55 55 ILE N N 15 120.473 0.035 . 1 . . . . . 210 ILE N . 50738 1
120 . 1 . 1 56 56 GLU H H 1 8.266 0.004 . 1 . . . . . 211 GLU H . 50738 1
121 . 1 . 1 56 56 GLU CA C 13 51.322 0.000 . 1 . . . . . 211 GLU CA . 50738 1
122 . 1 . 1 56 56 GLU CB C 13 26.536 0.000 . 1 . . . . . 211 GLU CB . 50738 1
123 . 1 . 1 56 56 GLU N N 15 127.807 0.079 . 1 . . . . . 211 GLU N . 50738 1
124 . 1 . 1 57 57 PRO CA C 13 60.204 0.013 . 1 . . . . . 212 PRO CA . 50738 1
125 . 1 . 1 57 57 PRO CB C 13 29.170 0.019 . 1 . . . . . 212 PRO CB . 50738 1
126 . 1 . 1 58 58 GLN H H 1 8.262 0.002 . 1 . . . . . 213 GLN H . 50738 1
127 . 1 . 1 58 58 GLN CA C 13 52.812 0.035 . 1 . . . . . 213 GLN CA . 50738 1
128 . 1 . 1 58 58 GLN CB C 13 26.556 0.000 . 1 . . . . . 213 GLN CB . 50738 1
129 . 1 . 1 58 58 GLN N N 15 121.449 0.045 . 1 . . . . . 213 GLN N . 50738 1
130 . 1 . 1 59 59 SER H H 1 8.153 0.004 . 1 . . . . . 214 SER H . 50738 1
131 . 1 . 1 59 59 SER CA C 13 55.438 0.018 . 1 . . . . . 214 SER CA . 50738 1
132 . 1 . 1 59 59 SER CB C 13 60.788 0.055 . 1 . . . . . 214 SER CB . 50738 1
133 . 1 . 1 59 59 SER N N 15 117.965 0.039 . 1 . . . . . 214 SER N . 50738 1
134 . 1 . 1 60 60 ASN H H 1 8.019 0.167 . 1 . . . . . 215 ASN H . 50738 1
135 . 1 . 1 60 60 ASN CA C 13 52.834 2.455 . 1 . . . . . 215 ASN CA . 50738 1
136 . 1 . 1 60 60 ASN CB C 13 35.879 0.048 . 1 . . . . . 215 ASN CB . 50738 1
137 . 1 . 1 60 60 ASN N N 15 121.683 0.285 . 1 . . . . . 215 ASN N . 50738 1
138 . 1 . 1 62 62 ILE H H 1 7.760 0.003 . 1 . . . . . 217 ILE H . 50738 1
139 . 1 . 1 62 62 ILE N N 15 128.640 0.069 . 1 . . . . . 217 ILE N . 50738 1
140 . 1 . 1 63 63 PRO CA C 13 59.905 0.106 . 1 . . . . . 218 PRO CA . 50738 1
141 . 1 . 1 63 63 PRO CB C 13 29.206 0.015 . 1 . . . . . 218 PRO CB . 50738 1
142 . 1 . 1 64 64 GLU H H 1 8.206 0.002 . 1 . . . . . 219 GLU H . 50738 1
143 . 1 . 1 64 64 GLU CA C 13 53.596 0.054 . 1 . . . . . 219 GLU CA . 50738 1
144 . 1 . 1 64 64 GLU CB C 13 27.393 0.047 . 1 . . . . . 219 GLU CB . 50738 1
145 . 1 . 1 64 64 GLU N N 15 122.167 0.042 . 1 . . . . . 219 GLU N . 50738 1
146 . 1 . 1 65 65 THR H H 1 8.058 0.004 . 1 . . . . . 220 THR H . 50738 1
147 . 1 . 1 65 65 THR CA C 13 56.894 0.010 . 1 . . . . . 220 THR CA . 50738 1
148 . 1 . 1 65 65 THR CB C 13 66.871 0.020 . 1 . . . . . 220 THR CB . 50738 1
149 . 1 . 1 65 65 THR N N 15 119.447 0.052 . 1 . . . . . 220 THR N . 50738 1
150 . 1 . 1 68 68 PRO CA C 13 60.408 0.019 . 1 . . . . . 223 PRO CA . 50738 1
151 . 1 . 1 68 68 PRO CB C 13 28.992 0.040 . 1 . . . . . 223 PRO CB . 50738 1
152 . 1 . 1 69 69 GLY H H 1 8.228 0.002 . 1 . . . . . 224 GLY H . 50738 1
153 . 1 . 1 69 69 GLY CA C 13 42.100 0.020 . 1 . . . . . 224 GLY CA . 50738 1
154 . 1 . 1 69 69 GLY N N 15 110.349 0.038 . 1 . . . . . 224 GLY N . 50738 1
155 . 1 . 1 70 70 TYR H H 1 7.654 0.003 . 1 . . . . . 225 TYR H . 50738 1
156 . 1 . 1 70 70 TYR CA C 13 55.416 0.016 . 1 . . . . . 225 TYR CA . 50738 1
157 . 1 . 1 70 70 TYR CB C 13 36.131 0.024 . 1 . . . . . 225 TYR CB . 50738 1
158 . 1 . 1 70 70 TYR N N 15 121.268 0.043 . 1 . . . . . 225 TYR N . 50738 1
159 . 1 . 1 71 71 ILE H H 1 7.705 0.004 . 1 . . . . . 226 ILE H . 50738 1
160 . 1 . 1 71 71 ILE CA C 13 57.338 0.003 . 1 . . . . . 226 ILE CA . 50738 1
161 . 1 . 1 71 71 ILE CB C 13 36.144 0.007 . 1 . . . . . 226 ILE CB . 50738 1
162 . 1 . 1 71 71 ILE N N 15 126.395 0.057 . 1 . . . . . 226 ILE N . 50738 1
163 . 1 . 1 72 72 SER CA C 13 55.200 0.012 . 1 . . . . . 227 SER CA . 50738 1
164 . 1 . 1 72 72 SER CB C 13 60.969 0.008 . 1 . . . . . 227 SER CB . 50738 1
165 . 1 . 1 73 73 GLU H H 1 8.393 0.003 . 1 . . . . . 228 GLU H . 50738 1
166 . 1 . 1 73 73 GLU CA C 13 53.842 0.011 . 1 . . . . . 228 GLU CA . 50738 1
167 . 1 . 1 73 73 GLU CB C 13 27.151 0.035 . 1 . . . . . 228 GLU CB . 50738 1
168 . 1 . 1 73 73 GLU N N 15 124.516 0.050 . 1 . . . . . 228 GLU N . 50738 1
169 . 1 . 1 74 74 ASP H H 1 8.053 0.000 . 1 . . . . . 229 ASP H . 50738 1
170 . 1 . 1 74 74 ASP CA C 13 51.539 0.041 . 1 . . . . . 229 ASP CA . 50738 1
171 . 1 . 1 74 74 ASP CB C 13 38.107 0.000 . 1 . . . . . 229 ASP CB . 50738 1
172 . 1 . 1 74 74 ASP N N 15 121.169 0.006 . 1 . . . . . 229 ASP N . 50738 1
173 . 1 . 1 75 75 GLY H H 1 7.987 0.002 . 1 . . . . . 230 GLY H . 50738 1
174 . 1 . 1 75 75 GLY CA C 13 42.410 0.029 . 1 . . . . . 230 GLY CA . 50738 1
175 . 1 . 1 75 75 GLY N N 15 109.948 0.041 . 1 . . . . . 230 GLY N . 50738 1
176 . 1 . 1 76 76 GLU H H 1 8.013 0.005 . 1 . . . . . 231 GLU H . 50738 1
177 . 1 . 1 76 76 GLU CA C 13 53.561 0.049 . 1 . . . . . 231 GLU CA . 50738 1
178 . 1 . 1 76 76 GLU CB C 13 27.365 0.069 . 1 . . . . . 231 GLU CB . 50738 1
179 . 1 . 1 76 76 GLU N N 15 121.246 0.051 . 1 . . . . . 231 GLU N . 50738 1
180 . 1 . 1 77 77 THR H H 1 8.072 0.002 . 1 . . . . . 232 THR H . 50738 1
181 . 1 . 1 77 77 THR CA C 13 58.881 0.014 . 1 . . . . . 232 THR CA . 50738 1
182 . 1 . 1 77 77 THR CB C 13 66.972 0.012 . 1 . . . . . 232 THR CB . 50738 1
183 . 1 . 1 77 77 THR N N 15 116.036 0.036 . 1 . . . . . 232 THR N . 50738 1
184 . 1 . 1 78 78 SER H H 1 8.164 0.001 . 1 . . . . . 233 SER H . 50738 1
185 . 1 . 1 78 78 SER CA C 13 55.629 0.022 . 1 . . . . . 233 SER CA . 50738 1
186 . 1 . 1 78 78 SER CB C 13 60.919 0.032 . 1 . . . . . 233 SER CB . 50738 1
187 . 1 . 1 78 78 SER N N 15 119.035 0.058 . 1 . . . . . 233 SER N . 50738 1
188 . 1 . 1 79 79 ASP H H 1 8.171 0.002 . 1 . . . . . 234 ASP H . 50738 1
189 . 1 . 1 79 79 ASP CA C 13 51.779 0.009 . 1 . . . . . 234 ASP CA . 50738 1
190 . 1 . 1 79 79 ASP CB C 13 37.844 0.033 . 1 . . . . . 234 ASP CB . 50738 1
191 . 1 . 1 79 79 ASP N N 15 123.134 0.062 . 1 . . . . . 234 ASP N . 50738 1
192 . 1 . 1 80 80 GLN H H 1 8.000 0.001 . 1 . . . . . 235 GLN H . 50738 1
193 . 1 . 1 80 80 GLN N N 15 121.165 0.029 . 1 . . . . . 235 GLN N . 50738 1
194 . 1 . 1 81 81 GLN H H 1 8.069 0.001 . 1 . . . . . 236 GLN H . 50738 1
195 . 1 . 1 81 81 GLN CA C 13 53.223 0.014 . 1 . . . . . 236 GLN CA . 50738 1
196 . 1 . 1 81 81 GLN CB C 13 26.169 0.041 . 1 . . . . . 236 GLN CB . 50738 1
197 . 1 . 1 81 81 GLN N N 15 121.190 0.024 . 1 . . . . . 236 GLN N . 50738 1
198 . 1 . 1 82 82 LEU H H 1 7.936 0.002 . 1 . . . . . 237 LEU H . 50738 1
199 . 1 . 1 82 82 LEU CA C 13 52.688 0.000 . 1 . . . . . 237 LEU CA . 50738 1
200 . 1 . 1 82 82 LEU CB C 13 39.330 0.046 . 1 . . . . . 237 LEU CB . 50738 1
201 . 1 . 1 82 82 LEU N N 15 123.306 0.050 . 1 . . . . . 237 LEU N . 50738 1
202 . 1 . 1 83 83 ASN H H 1 8.141 0.003 . 1 . . . . . 238 ASN H . 50738 1
203 . 1 . 1 83 83 ASN CA C 13 51.385 1.274 . 1 . . . . . 238 ASN CA . 50738 1
204 . 1 . 1 83 83 ASN CB C 13 35.703 0.000 . 1 . . . . . 238 ASN CB . 50738 1
205 . 1 . 1 83 83 ASN N N 15 119.778 0.049 . 1 . . . . . 238 ASN N . 50738 1
206 . 1 . 1 84 84 GLN H H 1 8.070 0.004 . 1 . . . . . 239 GLN H . 50738 1
207 . 1 . 1 84 84 GLN CA C 13 53.084 0.025 . 1 . . . . . 239 GLN CA . 50738 1
208 . 1 . 1 84 84 GLN CB C 13 28.472 3.869 . 1 . . . . . 239 GLN CB . 50738 1
209 . 1 . 1 84 84 GLN N N 15 121.317 0.009 . 1 . . . . . 239 GLN N . 50738 1
210 . 1 . 1 85 85 SER H H 1 8.112 0.002 . 1 . . . . . 240 SER H . 50738 1
211 . 1 . 1 85 85 SER CA C 13 55.618 0.021 . 1 . . . . . 240 SER CA . 50738 1
212 . 1 . 1 85 85 SER CB C 13 60.682 0.032 . 1 . . . . . 240 SER CB . 50738 1
213 . 1 . 1 85 85 SER N N 15 117.681 0.053 . 1 . . . . . 240 SER N . 50738 1
214 . 1 . 1 86 86 MET H H 1 8.129 0.002 . 1 . . . . . 241 MET H . 50738 1
215 . 1 . 1 86 86 MET CA C 13 52.467 0.021 . 1 . . . . . 241 MET CA . 50738 1
216 . 1 . 1 86 86 MET CB C 13 29.870 0.029 . 1 . . . . . 241 MET CB . 50738 1
217 . 1 . 1 86 86 MET N N 15 122.927 0.049 . 1 . . . . . 241 MET N . 50738 1
218 . 1 . 1 87 87 ASP H H 1 8.096 0.001 . 1 . . . . . 242 ASP H . 50738 1
219 . 1 . 1 87 87 ASP CA C 13 51.419 0.000 . 1 . . . . . 242 ASP CA . 50738 1
220 . 1 . 1 87 87 ASP CB C 13 38.134 0.019 . 1 . . . . . 242 ASP CB . 50738 1
221 . 1 . 1 87 87 ASP N N 15 122.486 0.052 . 1 . . . . . 242 ASP N . 50738 1
222 . 1 . 1 88 88 THR H H 1 7.953 0.003 . 1 . . . . . 243 THR H . 50738 1
223 . 1 . 1 88 88 THR CA C 13 59.008 0.029 . 1 . . . . . 243 THR CA . 50738 1
224 . 1 . 1 88 88 THR CB C 13 66.646 0.017 . 1 . . . . . 243 THR CB . 50738 1
225 . 1 . 1 88 88 THR N N 15 115.093 0.034 . 1 . . . . . 243 THR N . 50738 1
226 . 1 . 1 89 89 GLY H H 1 8.175 0.001 . 1 . . . . . 244 GLY H . 50738 1
227 . 1 . 1 89 89 GLY CA C 13 42.208 0.020 . 1 . . . . . 244 GLY CA . 50738 1
228 . 1 . 1 89 89 GLY N N 15 111.875 0.036 . 1 . . . . . 244 GLY N . 50738 1
229 . 1 . 1 90 90 SER H H 1 7.946 0.003 . 1 . . . . . 245 SER H . 50738 1
230 . 1 . 1 90 90 SER CA C 13 53.534 0.015 . 1 . . . . . 245 SER CA . 50738 1
231 . 1 . 1 90 90 SER CB C 13 60.393 0.055 . 1 . . . . . 245 SER CB . 50738 1
232 . 1 . 1 90 90 SER N N 15 117.800 0.039 . 1 . . . . . 245 SER N . 50738 1
233 . 1 . 1 92 92 ALA H H 1 8.121 0.002 . 1 . . . . . 247 ALA H . 50738 1
234 . 1 . 1 92 92 ALA CA C 13 49.691 0.007 . 1 . . . . . 247 ALA CA . 50738 1
235 . 1 . 1 92 92 ALA CB C 13 16.176 0.016 . 1 . . . . . 247 ALA CB . 50738 1
236 . 1 . 1 92 92 ALA N N 15 125.096 0.055 . 1 . . . . . 247 ALA N . 50738 1
237 . 1 . 1 93 93 GLU H H 1 8.081 0.004 . 1 . . . . . 248 GLU H . 50738 1
238 . 1 . 1 93 93 GLU CA C 13 53.358 0.010 . 1 . . . . . 248 GLU CA . 50738 1
239 . 1 . 1 93 93 GLU CB C 13 27.335 0.023 . 1 . . . . . 248 GLU CB . 50738 1
240 . 1 . 1 93 93 GLU N N 15 120.770 0.057 . 1 . . . . . 248 GLU N . 50738 1
241 . 1 . 1 94 94 LEU H H 1 8.030 0.004 . 1 . . . . . 249 LEU H . 50738 1
242 . 1 . 1 94 94 LEU CA C 13 51.974 0.028 . 1 . . . . . 249 LEU CA . 50738 1
243 . 1 . 1 94 94 LEU CB C 13 39.435 0.025 . 1 . . . . . 249 LEU CB . 50738 1
244 . 1 . 1 94 94 LEU N N 15 124.308 0.040 . 1 . . . . . 249 LEU N . 50738 1
245 . 1 . 1 95 95 SER H H 1 8.111 0.003 . 1 . . . . . 250 SER H . 50738 1
246 . 1 . 1 95 95 SER CA C 13 53.331 0.004 . 1 . . . . . 250 SER CA . 50738 1
247 . 1 . 1 95 95 SER CB C 13 60.218 0.026 . 1 . . . . . 250 SER CB . 50738 1
248 . 1 . 1 95 95 SER N N 15 118.977 0.047 . 1 . . . . . 250 SER N . 50738 1
249 . 1 . 1 96 96 PRO CA C 13 60.469 0.016 . 1 . . . . . 251 PRO CA . 50738 1
250 . 1 . 1 96 96 PRO CB C 13 29.284 0.019 . 1 . . . . . 251 PRO CB . 50738 1
251 . 1 . 1 97 97 THR H H 1 8.027 0.002 . 1 . . . . . 252 THR H . 50738 1
252 . 1 . 1 97 97 THR CA C 13 59.054 0.055 . 1 . . . . . 252 THR CA . 50738 1
253 . 1 . 1 97 97 THR CB C 13 66.786 0.056 . 1 . . . . . 252 THR CB . 50738 1
254 . 1 . 1 97 97 THR N N 15 114.981 0.035 . 1 . . . . . 252 THR N . 50738 1
255 . 1 . 1 98 98 THR H H 1 7.841 0.003 . 1 . . . . . 253 THR H . 50738 1
256 . 1 . 1 98 98 THR N N 15 117.948 0.056 . 1 . . . . . 253 THR N . 50738 1
257 . 1 . 1 99 99 LEU H H 1 8.038 0.003 . 1 . . . . . 254 LEU H . 50738 1
258 . 1 . 1 99 99 LEU CA C 13 51.995 0.027 . 1 . . . . . 254 LEU CA . 50738 1
259 . 1 . 1 99 99 LEU CB C 13 39.432 0.039 . 1 . . . . . 254 LEU CB . 50738 1
260 . 1 . 1 99 99 LEU N N 15 125.803 0.051 . 1 . . . . . 254 LEU N . 50738 1
261 . 1 . 1 100 100 SER H H 1 8.095 0.002 . 1 . . . . . 255 SER H . 50738 1
262 . 1 . 1 100 100 SER CA C 13 53.461 0.001 . 1 . . . . . 255 SER CA . 50738 1
263 . 1 . 1 100 100 SER CB C 13 60.195 0.009 . 1 . . . . . 255 SER CB . 50738 1
264 . 1 . 1 100 100 SER N N 15 119.373 0.039 . 1 . . . . . 255 SER N . 50738 1
265 . 1 . 1 105 105 SER CA C 13 56.252 0.116 . 1 . . . . . 260 SER CA . 50738 1
266 . 1 . 1 105 105 SER CB C 13 60.628 0.005 . 1 . . . . . 260 SER CB . 50738 1
267 . 1 . 1 106 106 LEU H H 1 8.049 0.007 . 1 . . . . . 261 LEU H . 50738 1
268 . 1 . 1 106 106 LEU CA C 13 52.219 0.502 . 1 . . . . . 261 LEU CA . 50738 1
269 . 1 . 1 106 106 LEU CB C 13 39.175 0.053 . 1 . . . . . 261 LEU CB . 50738 1
270 . 1 . 1 106 106 LEU N N 15 124.530 0.102 . 1 . . . . . 261 LEU N . 50738 1
271 . 1 . 1 107 107 ASP H H 1 7.481 0.006 . 1 . . . . . 262 ASP H . 50738 1
272 . 1 . 1 107 107 ASP CA C 13 53.798 0.728 . 1 . . . . . 262 ASP CA . 50738 1
273 . 1 . 1 107 107 ASP CB C 13 38.885 0.024 . 1 . . . . . 262 ASP CB . 50738 1
274 . 1 . 1 107 107 ASP N N 15 126.673 0.059 . 1 . . . . . 262 ASP N . 50738 1
stop_
save_