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 51102
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name TIA1_PLD
_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 HSQC' . . . 51102 1
2 '3D HNCACB' . . . 51102 1
3 '3D CBCA(CO)NH' . . . 51102 1
4 '3D HNCO' . . . 51102 1
5 '3D HN(CA)CO' . . . 51102 1
6 '3D HN(CO)CA' . . . 51102 1
7 '3D HNCA' . . . 51102 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 . . 51102 1
2 $software_2 . . 51102 1
3 $software_3 . . 51102 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 17 17 SER C C 13 174.504 0.000 . . . . . . . 6 SER C . 51102 1
2 . 1 . 1 17 17 SER CA C 13 58.642 0.065 . . . . . . . 6 SER CA . 51102 1
3 . 1 . 1 17 17 SER CB C 13 63.801 0.000 . . . . . . . 6 SER CB . 51102 1
4 . 1 . 1 18 18 GLU H H 1 8.582 0.004 . . . . . . . 7 GLU H . 51102 1
5 . 1 . 1 18 18 GLU C C 13 176.117 0.004 . . . . . . . 7 GLU C . 51102 1
6 . 1 . 1 18 18 GLU CA C 13 57.033 0.050 . . . . . . . 7 GLU CA . 51102 1
7 . 1 . 1 18 18 GLU CB C 13 30.041 0.108 . . . . . . . 7 GLU CB . 51102 1
8 . 1 . 1 18 18 GLU N N 15 122.495 0.075 . . . . . . . 7 GLU N . 51102 1
9 . 1 . 1 19 19 ASN H H 1 8.326 0.002 . . . . . . . 8 ASN H . 51102 1
10 . 1 . 1 19 19 ASN C C 13 175.015 0.000 . . . . . . . 8 ASN C . 51102 1
11 . 1 . 1 19 19 ASN CA C 13 53.420 0.025 . . . . . . . 8 ASN CA . 51102 1
12 . 1 . 1 19 19 ASN CB C 13 38.797 0.029 . . . . . . . 8 ASN CB . 51102 1
13 . 1 . 1 19 19 ASN N N 15 118.607 0.044 . . . . . . . 8 ASN N . 51102 1
14 . 1 . 1 20 20 LEU H H 1 8.022 0.002 . . . . . . . 9 LEU H . 51102 1
15 . 1 . 1 20 20 LEU C C 13 176.831 0.003 . . . . . . . 9 LEU C . 51102 1
16 . 1 . 1 20 20 LEU CA C 13 55.534 0.095 . . . . . . . 9 LEU CA . 51102 1
17 . 1 . 1 20 20 LEU CB C 13 42.352 0.062 . . . . . . . 9 LEU CB . 51102 1
18 . 1 . 1 20 20 LEU N N 15 121.725 0.042 . . . . . . . 9 LEU N . 51102 1
19 . 1 . 1 21 21 TYR H H 1 8.014 0.002 . . . . . . . 10 TYR H . 51102 1
20 . 1 . 1 21 21 TYR C C 13 175.339 0.000 . . . . . . . 10 TYR C . 51102 1
21 . 1 . 1 21 21 TYR CA C 13 57.977 0.027 . . . . . . . 10 TYR CA . 51102 1
22 . 1 . 1 21 21 TYR CB C 13 38.631 0.061 . . . . . . . 10 TYR CB . 51102 1
23 . 1 . 1 21 21 TYR N N 15 119.059 0.016 . . . . . . . 10 TYR N . 51102 1
24 . 1 . 1 22 22 PHE H H 1 7.964 0.002 . . . . . . . 11 PHE H . 51102 1
25 . 1 . 1 22 22 PHE C C 13 175.428 0.008 . . . . . . . 11 PHE C . 51102 1
26 . 1 . 1 22 22 PHE CA C 13 57.622 0.042 . . . . . . . 11 PHE CA . 51102 1
27 . 1 . 1 22 22 PHE CB C 13 39.642 0.050 . . . . . . . 11 PHE CB . 51102 1
28 . 1 . 1 22 22 PHE N N 15 120.729 0.023 . . . . . . . 11 PHE N . 51102 1
29 . 1 . 1 23 23 GLN H H 1 8.269 0.002 . . . . . . . 12 GLN H . 51102 1
30 . 1 . 1 23 23 GLN C C 13 176.075 0.003 . . . . . . . 12 GLN C . 51102 1
31 . 1 . 1 23 23 GLN CA C 13 55.936 0.001 . . . . . . . 12 GLN CA . 51102 1
32 . 1 . 1 23 23 GLN CB C 13 29.492 0.147 . . . . . . . 12 GLN CB . 51102 1
33 . 1 . 1 23 23 GLN N N 15 121.977 0.034 . . . . . . . 12 GLN N . 51102 1
34 . 1 . 1 24 24 GLY H H 1 8.066 0.003 . . . . . . . 13 GLY H . 51102 1
35 . 1 . 1 24 24 GLY C C 13 174.538 0.000 . . . . . . . 13 GLY C . 51102 1
36 . 1 . 1 24 24 GLY CA C 13 45.654 0.011 . . . . . . . 13 GLY CA . 51102 1
37 . 1 . 1 24 24 GLY N N 15 109.663 0.015 . . . . . . . 13 GLY N . 51102 1
38 . 1 . 1 25 25 GLY H H 1 8.144 0.002 . . . . . . . 14 GLY H . 51102 1
39 . 1 . 1 25 25 GLY C C 13 173.700 0.006 . . . . . . . 14 GLY C . 51102 1
40 . 1 . 1 25 25 GLY CA C 13 45.305 0.062 . . . . . . . 14 GLY CA . 51102 1
41 . 1 . 1 25 25 GLY N N 15 107.918 0.020 . . . . . . . 14 GLY N . 51102 1
42 . 1 . 1 26 26 GLN H H 1 8.073 0.002 . . . . . . . 15 GLN H . 51102 1
43 . 1 . 1 26 26 GLN C C 13 175.041 0.005 . . . . . . . 15 GLN C . 51102 1
44 . 1 . 1 26 26 GLN CA C 13 55.481 0.097 . . . . . . . 15 GLN CA . 51102 1
45 . 1 . 1 26 26 GLN CB C 13 29.761 0.006 . . . . . . . 15 GLN CB . 51102 1
46 . 1 . 1 26 26 GLN N N 15 119.060 0.023 . . . . . . . 15 GLN N . 51102 1
47 . 1 . 1 27 27 TYR H H 1 8.236 0.001 . . . . . . . 16 TYR H . 51102 1
48 . 1 . 1 27 27 TYR C C 13 174.892 0.003 . . . . . . . 16 TYR C . 51102 1
49 . 1 . 1 27 27 TYR CA C 13 57.944 0.048 . . . . . . . 16 TYR CA . 51102 1
50 . 1 . 1 27 27 TYR CB C 13 38.807 0.033 . . . . . . . 16 TYR CB . 51102 1
51 . 1 . 1 27 27 TYR N N 15 121.515 0.022 . . . . . . . 16 TYR N . 51102 1
52 . 1 . 1 28 28 VAL H H 1 7.877 0.002 . . . . . . . 17 VAL H . 51102 1
53 . 1 . 1 28 28 VAL C C 13 173.648 0.000 . . . . . . . 17 VAL C . 51102 1
54 . 1 . 1 28 28 VAL CA C 13 59.104 0.059 . . . . . . . 17 VAL CA . 51102 1
55 . 1 . 1 28 28 VAL CB C 13 32.999 0.000 . . . . . . . 17 VAL CB . 51102 1
56 . 1 . 1 28 28 VAL N N 15 124.109 0.020 . . . . . . . 17 VAL N . 51102 1
57 . 1 . 1 29 29 PRO C C 13 176.460 0.000 . . . . . . . 18 PRO C . 51102 1
58 . 1 . 1 29 29 PRO CA C 13 63.063 0.029 . . . . . . . 18 PRO CA . 51102 1
59 . 1 . 1 30 30 ASN H H 1 8.325 0.001 . . . . . . . 19 ASN H . 51102 1
60 . 1 . 1 30 30 ASN C C 13 175.801 0.004 . . . . . . . 19 ASN C . 51102 1
61 . 1 . 1 30 30 ASN CA C 13 53.645 0.056 . . . . . . . 19 ASN CA . 51102 1
62 . 1 . 1 30 30 ASN CB C 13 38.798 0.022 . . . . . . . 19 ASN CB . 51102 1
63 . 1 . 1 30 30 ASN N N 15 118.139 0.020 . . . . . . . 19 ASN N . 51102 1
64 . 1 . 1 31 31 GLY H H 1 8.336 0.002 . . . . . . . 20 GLY H . 51102 1
65 . 1 . 1 31 31 GLY C C 13 173.839 0.006 . . . . . . . 20 GLY C . 51102 1
66 . 1 . 1 31 31 GLY CA C 13 45.594 0.081 . . . . . . . 20 GLY CA . 51102 1
67 . 1 . 1 31 31 GLY N N 15 109.205 0.046 . . . . . . . 20 GLY N . 51102 1
68 . 1 . 1 32 32 TRP H H 1 7.875 0.002 . . . . . . . 21 TRP H . 51102 1
69 . 1 . 1 32 32 TRP C C 13 175.763 0.009 . . . . . . . 21 TRP C . 51102 1
70 . 1 . 1 32 32 TRP CA C 13 57.254 0.089 . . . . . . . 21 TRP CA . 51102 1
71 . 1 . 1 32 32 TRP CB C 13 29.525 0.000 . . . . . . . 21 TRP CB . 51102 1
72 . 1 . 1 32 32 TRP N N 15 120.282 0.021 . . . . . . . 21 TRP N . 51102 1
73 . 1 . 1 33 33 GLN H H 1 7.999 0.002 . . . . . . . 22 GLN H . 51102 1
74 . 1 . 1 33 33 GLN C C 13 174.966 0.003 . . . . . . . 22 GLN C . 51102 1
75 . 1 . 1 33 33 GLN CA C 13 55.489 0.137 . . . . . . . 22 GLN CA . 51102 1
76 . 1 . 1 33 33 GLN CB C 13 29.467 0.068 . . . . . . . 22 GLN CB . 51102 1
77 . 1 . 1 33 33 GLN N N 15 121.518 0.019 . . . . . . . 22 GLN N . 51102 1
78 . 1 . 1 34 34 VAL H H 1 7.938 0.001 . . . . . . . 23 VAL H . 51102 1
79 . 1 . 1 34 34 VAL C C 13 174.260 0.000 . . . . . . . 23 VAL C . 51102 1
80 . 1 . 1 34 34 VAL CA C 13 60.020 0.068 . . . . . . . 23 VAL CA . 51102 1
81 . 1 . 1 34 34 VAL CB C 13 32.478 0.000 . . . . . . . 23 VAL CB . 51102 1
82 . 1 . 1 34 34 VAL N N 15 121.859 0.021 . . . . . . . 23 VAL N . 51102 1
83 . 1 . 1 35 35 PRO C C 13 176.263 0.001 . . . . . . . 24 PRO C . 51102 1
84 . 1 . 1 35 35 PRO CA C 13 63.106 0.036 . . . . . . . 24 PRO CA . 51102 1
85 . 1 . 1 35 35 PRO CB C 13 31.983 0.012 . . . . . . . 24 PRO CB . 51102 1
86 . 1 . 1 36 36 ALA H H 1 8.149 0.002 . . . . . . . 25 ALA H . 51102 1
87 . 1 . 1 36 36 ALA C C 13 177.134 0.005 . . . . . . . 25 ALA C . 51102 1
88 . 1 . 1 36 36 ALA CA C 13 52.508 0.019 . . . . . . . 25 ALA CA . 51102 1
89 . 1 . 1 36 36 ALA CB C 13 19.209 0.044 . . . . . . . 25 ALA CB . 51102 1
90 . 1 . 1 36 36 ALA N N 15 123.286 0.023 . . . . . . . 25 ALA N . 51102 1
91 . 1 . 1 37 37 TYR H H 1 7.884 0.002 . . . . . . . 26 TYR H . 51102 1
92 . 1 . 1 37 37 TYR C C 13 176.192 0.009 . . . . . . . 26 TYR C . 51102 1
93 . 1 . 1 37 37 TYR CA C 13 57.722 0.097 . . . . . . . 26 TYR CA . 51102 1
94 . 1 . 1 37 37 TYR CB C 13 38.785 0.019 . . . . . . . 26 TYR CB . 51102 1
95 . 1 . 1 37 37 TYR N N 15 117.605 0.016 . . . . . . . 26 TYR N . 51102 1
96 . 1 . 1 38 38 GLY H H 1 8.165 0.003 . . . . . . . 27 GLY H . 51102 1
97 . 1 . 1 38 38 GLY C C 13 173.880 0.002 . . . . . . . 27 GLY C . 51102 1
98 . 1 . 1 38 38 GLY CA C 13 45.286 0.035 . . . . . . . 27 GLY CA . 51102 1
99 . 1 . 1 38 38 GLY N N 15 109.484 0.057 . . . . . . . 27 GLY N . 51102 1
100 . 1 . 1 39 39 VAL H H 1 7.825 0.002 . . . . . . . 28 VAL H . 51102 1
101 . 1 . 1 39 39 VAL C C 13 175.829 0.003 . . . . . . . 28 VAL C . 51102 1
102 . 1 . 1 39 39 VAL CA C 13 62.544 0.027 . . . . . . . 28 VAL CA . 51102 1
103 . 1 . 1 39 39 VAL CB C 13 32.479 0.030 . . . . . . . 28 VAL CB . 51102 1
104 . 1 . 1 39 39 VAL N N 15 118.665 0.009 . . . . . . . 28 VAL N . 51102 1
105 . 1 . 1 40 40 TYR H H 1 8.223 0.001 . . . . . . . 29 TYR H . 51102 1
106 . 1 . 1 40 40 TYR C C 13 176.204 0.009 . . . . . . . 29 TYR C . 51102 1
107 . 1 . 1 40 40 TYR CA C 13 58.016 0.075 . . . . . . . 29 TYR CA . 51102 1
108 . 1 . 1 40 40 TYR CB C 13 38.570 0.084 . . . . . . . 29 TYR CB . 51102 1
109 . 1 . 1 40 40 TYR N N 15 122.535 0.049 . . . . . . . 29 TYR N . 51102 1
110 . 1 . 1 41 41 GLY H H 1 8.127 0.001 . . . . . . . 30 GLY H . 51102 1
111 . 1 . 1 41 41 GLY C C 13 173.406 0.003 . . . . . . . 30 GLY C . 51102 1
112 . 1 . 1 41 41 GLY CA C 13 45.186 0.057 . . . . . . . 30 GLY CA . 51102 1
113 . 1 . 1 41 41 GLY N N 15 109.742 0.036 . . . . . . . 30 GLY N . 51102 1
114 . 1 . 1 42 42 GLN H H 1 7.990 0.002 . . . . . . . 31 GLN H . 51102 1
115 . 1 . 1 42 42 GLN C C 13 174.224 0.000 . . . . . . . 31 GLN C . 51102 1
116 . 1 . 1 42 42 GLN CA C 13 53.490 0.023 . . . . . . . 31 GLN CA . 51102 1
117 . 1 . 1 42 42 GLN CB C 13 28.377 0.000 . . . . . . . 31 GLN CB . 51102 1
118 . 1 . 1 42 42 GLN N N 15 119.701 0.019 . . . . . . . 31 GLN N . 51102 1
119 . 1 . 1 43 43 PRO C C 13 176.590 0.000 . . . . . . . 32 PRO C . 51102 1
120 . 1 . 1 43 43 PRO CA C 13 63.605 0.086 . . . . . . . 32 PRO CA . 51102 1
121 . 1 . 1 43 43 PRO CB C 13 31.559 0.000 . . . . . . . 32 PRO CB . 51102 1
122 . 1 . 1 44 44 TRP H H 1 7.800 0.001 . . . . . . . 33 TRP H . 51102 1
123 . 1 . 1 44 44 TRP C C 13 176.215 0.006 . . . . . . . 33 TRP C . 51102 1
124 . 1 . 1 44 44 TRP CA C 13 57.467 0.037 . . . . . . . 33 TRP CA . 51102 1
125 . 1 . 1 44 44 TRP CB C 13 29.233 0.012 . . . . . . . 33 TRP CB . 51102 1
126 . 1 . 1 44 44 TRP N N 15 119.294 0.041 . . . . . . . 33 TRP N . 51102 1
127 . 1 . 1 45 45 SER H H 1 7.796 0.002 . . . . . . . 34 SER H . 51102 1
128 . 1 . 1 45 45 SER C C 13 174.246 0.000 . . . . . . . 34 SER C . 51102 1
129 . 1 . 1 45 45 SER CA C 13 58.250 0.032 . . . . . . . 34 SER CA . 51102 1
130 . 1 . 1 45 45 SER CB C 13 63.971 0.053 . . . . . . . 34 SER CB . 51102 1
131 . 1 . 1 45 45 SER N N 15 116.511 0.015 . . . . . . . 34 SER N . 51102 1
132 . 1 . 1 46 46 GLN H H 1 8.135 0.002 . . . . . . . 35 GLN H . 51102 1
133 . 1 . 1 46 46 GLN C C 13 175.879 0.001 . . . . . . . 35 GLN C . 51102 1
134 . 1 . 1 46 46 GLN CA C 13 56.159 0.018 . . . . . . . 35 GLN CA . 51102 1
135 . 1 . 1 46 46 GLN CB C 13 29.255 0.004 . . . . . . . 35 GLN CB . 51102 1
136 . 1 . 1 46 46 GLN N N 15 121.604 0.026 . . . . . . . 35 GLN N . 51102 1
137 . 1 . 1 47 47 GLN H H 1 8.229 0.001 . . . . . . . 36 GLN H . 51102 1
138 . 1 . 1 47 47 GLN C C 13 176.267 0.001 . . . . . . . 36 GLN C . 51102 1
139 . 1 . 1 47 47 GLN CA C 13 56.255 0.033 . . . . . . . 36 GLN CA . 51102 1
140 . 1 . 1 47 47 GLN CB C 13 29.242 0.005 . . . . . . . 36 GLN CB . 51102 1
141 . 1 . 1 47 47 GLN N N 15 120.259 0.045 . . . . . . . 36 GLN N . 51102 1
142 . 1 . 1 48 48 GLY H H 1 8.258 0.001 . . . . . . . 37 GLY H . 51102 1
143 . 1 . 1 48 48 GLY C C 13 173.835 0.003 . . . . . . . 37 GLY C . 51102 1
144 . 1 . 1 48 48 GLY CA C 13 45.274 0.030 . . . . . . . 37 GLY CA . 51102 1
145 . 1 . 1 48 48 GLY N N 15 109.251 0.017 . . . . . . . 37 GLY N . 51102 1
146 . 1 . 1 49 49 PHE H H 1 8.038 0.002 . . . . . . . 38 PHE H . 51102 1
147 . 1 . 1 49 49 PHE C C 13 175.517 0.005 . . . . . . . 38 PHE C . 51102 1
148 . 1 . 1 49 49 PHE CA C 13 58.000 0.017 . . . . . . . 38 PHE CA . 51102 1
149 . 1 . 1 49 49 PHE CB C 13 39.439 0.100 . . . . . . . 38 PHE CB . 51102 1
150 . 1 . 1 49 49 PHE N N 15 119.778 0.016 . . . . . . . 38 PHE N . 51102 1
151 . 1 . 1 50 50 ASN H H 1 8.352 0.002 . . . . . . . 39 ASN H . 51102 1
152 . 1 . 1 50 50 ASN C C 13 174.954 0.001 . . . . . . . 39 ASN C . 51102 1
153 . 1 . 1 50 50 ASN CA C 13 53.310 0.061 . . . . . . . 39 ASN CA . 51102 1
154 . 1 . 1 50 50 ASN CB C 13 38.830 0.049 . . . . . . . 39 ASN CB . 51102 1
155 . 1 . 1 50 50 ASN N N 15 120.121 0.010 . . . . . . . 39 ASN N . 51102 1
156 . 1 . 1 51 51 GLN H H 1 8.260 0.002 . . . . . . . 40 GLN H . 51102 1
157 . 1 . 1 51 51 GLN C C 13 176.154 0.013 . . . . . . . 40 GLN C . 51102 1
158 . 1 . 1 51 51 GLN CA C 13 56.279 0.034 . . . . . . . 40 GLN CA . 51102 1
159 . 1 . 1 51 51 GLN CB C 13 29.276 0.004 . . . . . . . 40 GLN CB . 51102 1
160 . 1 . 1 51 51 GLN N N 15 120.409 0.029 . . . . . . . 40 GLN N . 51102 1
161 . 1 . 1 52 52 THR H H 1 8.132 0.001 . . . . . . . 41 THR H . 51102 1
162 . 1 . 1 52 52 THR C C 13 174.594 0.007 . . . . . . . 41 THR C . 51102 1
163 . 1 . 1 52 52 THR CA C 13 62.224 0.067 . . . . . . . 41 THR CA . 51102 1
164 . 1 . 1 52 52 THR CB C 13 69.703 0.080 . . . . . . . 41 THR CB . 51102 1
165 . 1 . 1 52 52 THR N N 15 114.340 0.016 . . . . . . . 41 THR N . 51102 1
166 . 1 . 1 53 53 GLN H H 1 8.312 0.001 . . . . . . . 42 GLN H . 51102 1
167 . 1 . 1 53 53 GLN C C 13 175.845 0.002 . . . . . . . 42 GLN C . 51102 1
168 . 1 . 1 53 53 GLN CA C 13 55.945 0.101 . . . . . . . 42 GLN CA . 51102 1
169 . 1 . 1 53 53 GLN CB C 13 29.293 0.030 . . . . . . . 42 GLN CB . 51102 1
170 . 1 . 1 53 53 GLN N N 15 121.937 0.035 . . . . . . . 42 GLN N . 51102 1
171 . 1 . 1 54 54 SER H H 1 8.265 0.002 . . . . . . . 43 SER H . 51102 1
172 . 1 . 1 54 54 SER C C 13 174.338 0.000 . . . . . . . 43 SER C . 51102 1
173 . 1 . 1 54 54 SER CA C 13 58.373 0.139 . . . . . . . 43 SER CA . 51102 1
174 . 1 . 1 54 54 SER CB C 13 63.925 0.020 . . . . . . . 43 SER CB . 51102 1
175 . 1 . 1 54 54 SER N N 15 116.401 0.032 . . . . . . . 43 SER N . 51102 1
176 . 1 . 1 55 55 SER H H 1 8.206 0.003 . . . . . . . 44 SER H . 51102 1
177 . 1 . 1 55 55 SER C C 13 173.503 0.000 . . . . . . . 44 SER C . 51102 1
178 . 1 . 1 55 55 SER CA C 13 58.209 0.136 . . . . . . . 44 SER CA . 51102 1
179 . 1 . 1 55 55 SER CB C 13 63.971 0.018 . . . . . . . 44 SER CB . 51102 1
180 . 1 . 1 55 55 SER N N 15 117.216 0.013 . . . . . . . 44 SER N . 51102 1
181 . 1 . 1 56 56 ALA H H 1 8.059 0.002 . . . . . . . 45 ALA H . 51102 1
182 . 1 . 1 56 56 ALA C C 13 175.468 0.000 . . . . . . . 45 ALA C . 51102 1
183 . 1 . 1 56 56 ALA CA C 13 50.486 0.004 . . . . . . . 45 ALA CA . 51102 1
184 . 1 . 1 56 56 ALA CB C 13 18.207 0.000 . . . . . . . 45 ALA CB . 51102 1
185 . 1 . 1 56 56 ALA N N 15 125.930 0.030 . . . . . . . 45 ALA N . 51102 1
186 . 1 . 1 57 57 PRO C C 13 176.429 0.015 . . . . . . . 46 PRO C . 51102 1
187 . 1 . 1 57 57 PRO CA C 13 63.550 0.089 . . . . . . . 46 PRO CA . 51102 1
188 . 1 . 1 57 57 PRO CB C 13 31.589 0.000 . . . . . . . 46 PRO CB . 51102 1
189 . 1 . 1 58 58 TRP H H 1 7.672 0.003 . . . . . . . 47 TRP H . 51102 1
190 . 1 . 1 58 58 TRP C C 13 175.995 0.003 . . . . . . . 47 TRP C . 51102 1
191 . 1 . 1 58 58 TRP CA C 13 57.344 0.108 . . . . . . . 47 TRP CA . 51102 1
192 . 1 . 1 58 58 TRP CB C 13 28.878 0.057 . . . . . . . 47 TRP CB . 51102 1
193 . 1 . 1 58 58 TRP N N 15 118.580 0.033 . . . . . . . 47 TRP N . 51102 1
194 . 1 . 1 59 59 MET H H 1 7.744 0.002 . . . . . . . 48 MET H . 51102 1
195 . 1 . 1 59 59 MET C C 13 175.664 0.001 . . . . . . . 48 MET C . 51102 1
196 . 1 . 1 59 59 MET CA C 13 54.981 0.062 . . . . . . . 48 MET CA . 51102 1
197 . 1 . 1 59 59 MET CB C 13 32.715 0.036 . . . . . . . 48 MET CB . 51102 1
198 . 1 . 1 59 59 MET N N 15 122.223 0.026 . . . . . . . 48 MET N . 51102 1
199 . 1 . 1 60 60 GLY H H 1 7.175 0.003 . . . . . . . 49 GLY H . 51102 1
200 . 1 . 1 60 60 GLY C C 13 177.484 0.000 . . . . . . . 49 GLY C . 51102 1
201 . 1 . 1 60 60 GLY CA C 13 44.489 0.012 . . . . . . . 49 GLY CA . 51102 1
202 . 1 . 1 60 60 GLY N N 15 108.090 0.047 . . . . . . . 49 GLY N . 51102 1
203 . 1 . 1 61 61 PRO C C 13 176.650 0.000 . . . . . . . 50 PRO C . 51102 1
204 . 1 . 1 61 61 PRO CA C 13 63.388 0.007 . . . . . . . 50 PRO CA . 51102 1
205 . 1 . 1 61 61 PRO CB C 13 31.936 0.000 . . . . . . . 50 PRO CB . 51102 1
206 . 1 . 1 62 62 ASN H H 1 8.420 0.003 . . . . . . . 51 ASN H . 51102 1
207 . 1 . 1 62 62 ASN C C 13 174.630 0.005 . . . . . . . 51 ASN C . 51102 1
208 . 1 . 1 62 62 ASN CA C 13 53.112 0.071 . . . . . . . 51 ASN CA . 51102 1
209 . 1 . 1 62 62 ASN CB C 13 38.541 0.100 . . . . . . . 51 ASN CB . 51102 1
210 . 1 . 1 62 62 ASN N N 15 117.736 0.070 . . . . . . . 51 ASN N . 51102 1
211 . 1 . 1 63 63 TYR H H 1 7.889 0.003 . . . . . . . 52 TYR H . 51102 1
212 . 1 . 1 63 63 TYR C C 13 175.381 0.004 . . . . . . . 52 TYR C . 51102 1
213 . 1 . 1 63 63 TYR CA C 13 58.036 0.024 . . . . . . . 52 TYR CA . 51102 1
214 . 1 . 1 63 63 TYR CB C 13 38.831 0.000 . . . . . . . 52 TYR CB . 51102 1
215 . 1 . 1 63 63 TYR N N 15 120.288 0.032 . . . . . . . 52 TYR N . 51102 1
216 . 1 . 1 64 64 SER H H 1 8.033 0.002 . . . . . . . 53 SER H . 51102 1
217 . 1 . 1 64 64 SER C C 13 173.414 0.000 . . . . . . . 53 SER C . 51102 1
218 . 1 . 1 64 64 SER CA C 13 58.022 0.045 . . . . . . . 53 SER CA . 51102 1
219 . 1 . 1 64 64 SER CB C 13 64.015 0.024 . . . . . . . 53 SER CB . 51102 1
220 . 1 . 1 64 64 SER N N 15 117.538 0.021 . . . . . . . 53 SER N . 51102 1
221 . 1 . 1 65 65 VAL H H 1 7.948 0.002 . . . . . . . 54 VAL H . 51102 1
222 . 1 . 1 65 65 VAL C C 13 173.863 0.000 . . . . . . . 54 VAL C . 51102 1
223 . 1 . 1 65 65 VAL CA C 13 59.755 0.070 . . . . . . . 54 VAL CA . 51102 1
224 . 1 . 1 65 65 VAL CB C 13 32.850 0.000 . . . . . . . 54 VAL CB . 51102 1
225 . 1 . 1 65 65 VAL N N 15 122.548 0.043 . . . . . . . 54 VAL N . 51102 1
226 . 1 . 1 68 68 PRO C C 13 176.922 0.000 . . . . . . . 57 PRO C . 51102 1
227 . 1 . 1 68 68 PRO CA C 13 63.062 0.037 . . . . . . . 57 PRO CA . 51102 1
228 . 1 . 1 68 68 PRO CB C 13 31.938 0.000 . . . . . . . 57 PRO CB . 51102 1
229 . 1 . 1 69 69 GLN H H 1 8.443 0.002 . . . . . . . 58 GLN H . 51102 1
230 . 1 . 1 69 69 GLN C C 13 176.512 0.002 . . . . . . . 58 GLN C . 51102 1
231 . 1 . 1 69 69 GLN CA C 13 55.890 0.059 . . . . . . . 58 GLN CA . 51102 1
232 . 1 . 1 69 69 GLN CB C 13 29.652 0.059 . . . . . . . 58 GLN CB . 51102 1
233 . 1 . 1 69 69 GLN N N 15 120.031 0.018 . . . . . . . 58 GLN N . 51102 1
234 . 1 . 1 70 70 GLY H H 1 8.409 0.002 . . . . . . . 59 GLY H . 51102 1
235 . 1 . 1 70 70 GLY C C 13 174.075 0.003 . . . . . . . 59 GLY C . 51102 1
236 . 1 . 1 70 70 GLY CA C 13 45.268 0.029 . . . . . . . 59 GLY CA . 51102 1
237 . 1 . 1 70 70 GLY N N 15 109.749 0.028 . . . . . . . 59 GLY N . 51102 1
238 . 1 . 1 71 71 GLN H H 1 8.307 0.002 . . . . . . . 60 GLN H . 51102 1
239 . 1 . 1 71 71 GLN C C 13 175.892 0.002 . . . . . . . 60 GLN C . 51102 1
240 . 1 . 1 71 71 GLN CA C 13 55.946 0.114 . . . . . . . 60 GLN CA . 51102 1
241 . 1 . 1 71 71 GLN CB C 13 29.377 0.038 . . . . . . . 60 GLN CB . 51102 1
242 . 1 . 1 71 71 GLN N N 15 119.675 0.019 . . . . . . . 60 GLN N . 51102 1
243 . 1 . 1 72 72 ASN H H 1 8.547 0.002 . . . . . . . 61 ASN H . 51102 1
244 . 1 . 1 72 72 ASN C C 13 175.656 0.002 . . . . . . . 61 ASN C . 51102 1
245 . 1 . 1 72 72 ASN CA C 13 53.433 0.018 . . . . . . . 61 ASN CA . 51102 1
246 . 1 . 1 72 72 ASN CB C 13 38.865 0.026 . . . . . . . 61 ASN CB . 51102 1
247 . 1 . 1 72 72 ASN N N 15 119.609 0.038 . . . . . . . 61 ASN N . 51102 1
248 . 1 . 1 73 73 GLY H H 1 8.387 0.003 . . . . . . . 62 GLY H . 51102 1
249 . 1 . 1 73 73 GLY C C 13 174.149 0.000 . . . . . . . 62 GLY C . 51102 1
250 . 1 . 1 73 73 GLY CA C 13 45.603 0.048 . . . . . . . 62 GLY CA . 51102 1
251 . 1 . 1 73 73 GLY N N 15 109.248 0.026 . . . . . . . 62 GLY N . 51102 1
252 . 1 . 1 74 74 SER H H 1 8.129 0.002 . . . . . . . 63 SER H . 51102 1
253 . 1 . 1 74 74 SER C C 13 174.300 0.000 . . . . . . . 63 SER C . 51102 1
254 . 1 . 1 74 74 SER CA C 13 58.461 0.089 . . . . . . . 63 SER CA . 51102 1
255 . 1 . 1 74 74 SER CB C 13 63.960 0.015 . . . . . . . 63 SER CB . 51102 1
256 . 1 . 1 74 74 SER N N 15 115.334 0.018 . . . . . . . 63 SER N . 51102 1
257 . 1 . 1 75 75 MET H H 1 8.326 0.002 . . . . . . . 64 MET H . 51102 1
258 . 1 . 1 75 75 MET C C 13 175.704 0.000 . . . . . . . 64 MET C . 51102 1
259 . 1 . 1 75 75 MET CA C 13 55.399 0.134 . . . . . . . 64 MET CA . 51102 1
260 . 1 . 1 75 75 MET CB C 13 32.868 0.023 . . . . . . . 64 MET CB . 51102 1
261 . 1 . 1 75 75 MET N N 15 121.584 0.048 . . . . . . . 64 MET N . 51102 1
262 . 1 . 1 76 76 LEU H H 1 8.164 0.001 . . . . . . . 65 LEU H . 51102 1
263 . 1 . 1 76 76 LEU C C 13 175.186 0.000 . . . . . . . 65 LEU C . 51102 1
264 . 1 . 1 76 76 LEU CA C 13 53.029 0.013 . . . . . . . 65 LEU CA . 51102 1
265 . 1 . 1 76 76 LEU CB C 13 41.792 0.000 . . . . . . . 65 LEU CB . 51102 1
266 . 1 . 1 76 76 LEU N N 15 124.051 0.009 . . . . . . . 65 LEU N . 51102 1
267 . 1 . 1 77 77 PRO C C 13 176.701 0.004 . . . . . . . 66 PRO C . 51102 1
268 . 1 . 1 77 77 PRO CA C 13 63.109 0.030 . . . . . . . 66 PRO CA . 51102 1
269 . 1 . 1 77 77 PRO CB C 13 31.932 0.000 . . . . . . . 66 PRO CB . 51102 1
270 . 1 . 1 78 78 SER H H 1 8.239 0.001 . . . . . . . 67 SER H . 51102 1
271 . 1 . 1 78 78 SER C C 13 174.071 0.000 . . . . . . . 67 SER C . 51102 1
272 . 1 . 1 78 78 SER CA C 13 58.214 0.102 . . . . . . . 67 SER CA . 51102 1
273 . 1 . 1 78 78 SER CB C 13 63.953 0.076 . . . . . . . 67 SER CB . 51102 1
274 . 1 . 1 78 78 SER N N 15 115.371 0.044 . . . . . . . 67 SER N . 51102 1
275 . 1 . 1 79 79 GLN H H 1 8.232 0.004 . . . . . . . 68 GLN H . 51102 1
276 . 1 . 1 79 79 GLN C C 13 173.788 0.000 . . . . . . . 68 GLN C . 51102 1
277 . 1 . 1 79 79 GLN CA C 13 53.645 0.057 . . . . . . . 68 GLN CA . 51102 1
278 . 1 . 1 79 79 GLN CB C 13 29.170 0.000 . . . . . . . 68 GLN CB . 51102 1
279 . 1 . 1 79 79 GLN N N 15 122.318 0.099 . . . . . . . 68 GLN N . 51102 1
280 . 1 . 1 80 80 PRO C C 13 176.516 0.003 . . . . . . . 69 PRO C . 51102 1
281 . 1 . 1 80 80 PRO CA C 13 63.124 0.030 . . . . . . . 69 PRO CA . 51102 1
282 . 1 . 1 80 80 PRO CB C 13 32.008 0.010 . . . . . . . 69 PRO CB . 51102 1
283 . 1 . 1 81 81 ALA H H 1 8.409 0.002 . . . . . . . 70 ALA H . 51102 1
284 . 1 . 1 81 81 ALA C C 13 178.233 0.001 . . . . . . . 70 ALA C . 51102 1
285 . 1 . 1 81 81 ALA CA C 13 52.751 0.066 . . . . . . . 70 ALA CA . 51102 1
286 . 1 . 1 81 81 ALA CB C 13 19.162 0.027 . . . . . . . 70 ALA CB . 51102 1
287 . 1 . 1 81 81 ALA N N 15 124.019 0.015 . . . . . . . 70 ALA N . 51102 1
288 . 1 . 1 82 82 GLY H H 1 8.318 0.001 . . . . . . . 71 GLY H . 51102 1
289 . 1 . 1 82 82 GLY C C 13 173.659 0.009 . . . . . . . 71 GLY C . 51102 1
290 . 1 . 1 82 82 GLY CA C 13 45.213 0.034 . . . . . . . 71 GLY CA . 51102 1
291 . 1 . 1 82 82 GLY N N 15 107.609 0.042 . . . . . . . 71 GLY N . 51102 1
292 . 1 . 1 83 83 TYR H H 1 7.888 0.001 . . . . . . . 72 TYR H . 51102 1
293 . 1 . 1 83 83 TYR C C 13 175.298 0.005 . . . . . . . 72 TYR C . 51102 1
294 . 1 . 1 83 83 TYR CA C 13 58.036 0.017 . . . . . . . 72 TYR CA . 51102 1
295 . 1 . 1 83 83 TYR CB C 13 38.844 0.022 . . . . . . . 72 TYR CB . 51102 1
296 . 1 . 1 83 83 TYR N N 15 119.842 0.053 . . . . . . . 72 TYR N . 51102 1
297 . 1 . 1 84 84 ARG H H 1 8.069 0.002 . . . . . . . 73 ARG H . 51102 1
298 . 1 . 1 84 84 ARG C C 13 175.467 0.004 . . . . . . . 73 ARG C . 51102 1
299 . 1 . 1 84 84 ARG CA C 13 55.677 0.057 . . . . . . . 73 ARG CA . 51102 1
300 . 1 . 1 84 84 ARG CB C 13 31.063 0.045 . . . . . . . 73 ARG CB . 51102 1
301 . 1 . 1 84 84 ARG N N 15 123.146 0.027 . . . . . . . 73 ARG N . 51102 1
302 . 1 . 1 85 85 VAL H H 1 8.071 0.003 . . . . . . . 74 VAL H . 51102 1
303 . 1 . 1 85 85 VAL C C 13 175.625 0.005 . . . . . . . 74 VAL C . 51102 1
304 . 1 . 1 85 85 VAL CA C 13 62.153 0.029 . . . . . . . 74 VAL CA . 51102 1
305 . 1 . 1 85 85 VAL CB C 13 32.790 0.080 . . . . . . . 74 VAL CB . 51102 1
306 . 1 . 1 85 85 VAL N N 15 121.459 0.031 . . . . . . . 74 VAL N . 51102 1
307 . 1 . 1 86 86 ALA H H 1 8.345 0.001 . . . . . . . 75 ALA H . 51102 1
308 . 1 . 1 86 86 ALA C C 13 177.777 0.002 . . . . . . . 75 ALA C . 51102 1
309 . 1 . 1 86 86 ALA CA C 13 52.646 0.065 . . . . . . . 75 ALA CA . 51102 1
310 . 1 . 1 86 86 ALA CB C 13 19.236 0.016 . . . . . . . 75 ALA CB . 51102 1
311 . 1 . 1 86 86 ALA N N 15 127.440 0.038 . . . . . . . 75 ALA N . 51102 1
312 . 1 . 1 87 87 GLY H H 1 8.338 0.002 . . . . . . . 76 GLY H . 51102 1
313 . 1 . 1 87 87 GLY C C 13 173.823 0.002 . . . . . . . 76 GLY C . 51102 1
314 . 1 . 1 87 87 GLY CA C 13 45.179 0.020 . . . . . . . 76 GLY CA . 51102 1
315 . 1 . 1 87 87 GLY N N 15 108.214 0.016 . . . . . . . 76 GLY N . 51102 1
316 . 1 . 1 88 88 TYR H H 1 7.960 0.002 . . . . . . . 77 TYR H . 51102 1
317 . 1 . 1 88 88 TYR C C 13 175.702 0.001 . . . . . . . 77 TYR C . 51102 1
318 . 1 . 1 88 88 TYR CA C 13 57.931 0.028 . . . . . . . 77 TYR CA . 51102 1
319 . 1 . 1 88 88 TYR CB C 13 38.793 0.032 . . . . . . . 77 TYR CB . 51102 1
320 . 1 . 1 88 88 TYR N N 15 119.460 0.011 . . . . . . . 77 TYR N . 51102 1
321 . 1 . 1 89 89 GLU H H 1 8.505 0.002 . . . . . . . 78 GLU H . 51102 1
322 . 1 . 1 89 89 GLU C C 13 176.298 0.001 . . . . . . . 78 GLU C . 51102 1
323 . 1 . 1 89 89 GLU CA C 13 56.733 0.038 . . . . . . . 78 GLU CA . 51102 1
324 . 1 . 1 89 89 GLU CB C 13 30.291 0.050 . . . . . . . 78 GLU CB . 51102 1
325 . 1 . 1 89 89 GLU N N 15 122.031 0.025 . . . . . . . 78 GLU N . 51102 1
326 . 1 . 1 90 90 THR H H 1 8.107 0.001 . . . . . . . 79 THR H . 51102 1
327 . 1 . 1 90 90 THR C C 13 173.625 0.003 . . . . . . . 79 THR C . 51102 1
328 . 1 . 1 90 90 THR CA C 13 61.739 0.026 . . . . . . . 79 THR CA . 51102 1
329 . 1 . 1 90 90 THR CB C 13 69.889 0.046 . . . . . . . 79 THR CB . 51102 1
330 . 1 . 1 90 90 THR N N 15 114.699 0.011 . . . . . . . 79 THR N . 51102 1
331 . 1 . 1 91 91 GLN H H 1 7.961 0.001 . . . . . . . 80 GLN H . 51102 1
332 . 1 . 1 91 91 GLN C C 13 174.339 0.000 . . . . . . . 80 GLN C . 51102 1
333 . 1 . 1 91 91 GLN CA C 13 57.505 0.056 . . . . . . . 80 GLN CA . 51102 1
334 . 1 . 1 91 91 GLN CB C 13 30.528 0.000 . . . . . . . 80 GLN CB . 51102 1
335 . 1 . 1 91 91 GLN N N 15 127.274 0.019 . . . . . . . 80 GLN N . 51102 1
stop_
save_