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 51086
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'TbRI bound to TGM-1 D2 Chemical Shift Assignment'
_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
;
If the chemical shift value for an atom is derived from multiple experiments,
the error is set as the standard deviation of the set of chemical shift values.
If the chemical shift value is derived from a single experiment, for 1H the
error is set as 0.05, for 13C the error is set as 0.2, and for 15N the error
is set as 0.2.
;
_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' . . . 51086 1
2 '3D HNCO' . . . 51086 1
3 '3D HN(CA)CO' . . . 51086 1
4 '3D HNCA' . . . 51086 1
5 '3D HNCA' . . . 51086 1
6 '3D HNCACB' . . . 51086 1
7 '3D HNCACB' . . . 51086 1
8 '3D CBCA(CO)NH' . . . 51086 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 . . 51086 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 C C 13 177.667 0.000 . 1 . . . . . 31 A C . 51086 1
2 . 1 . 1 1 1 ALA CA C 13 52.635 0.000 . 1 . . . . . 31 A CA . 51086 1
3 . 1 . 1 1 1 ALA CB C 13 19.355 0.000 . 1 . . . . . 31 A CB . 51086 1
4 . 1 . 1 2 2 THR H H 1 8.117 0.003 . 1 . . . . . 32 T H . 51086 1
5 . 1 . 1 2 2 THR C C 13 173.480 0.050 . 1 . . . . . 32 T C . 51086 1
6 . 1 . 1 2 2 THR CA C 13 61.651 0.000 . 1 . . . . . 32 T CA . 51086 1
7 . 1 . 1 2 2 THR CB C 13 69.751 0.000 . 1 . . . . . 32 T CB . 51086 1
8 . 1 . 1 2 2 THR N N 15 113.969 0.008 . 1 . . . . . 32 T N . 51086 1
9 . 1 . 1 3 3 ALA H H 1 8.175 0.004 . 1 . . . . . 33 A H . 51086 1
10 . 1 . 1 3 3 ALA C C 13 175.809 0.035 . 1 . . . . . 33 A C . 51086 1
11 . 1 . 1 3 3 ALA CA C 13 52.097 0.008 . 1 . . . . . 33 A CA . 51086 1
12 . 1 . 1 3 3 ALA CB C 13 19.356 0.012 . 1 . . . . . 33 A CB . 51086 1
13 . 1 . 1 3 3 ALA N N 15 127.689 0.015 . 1 . . . . . 33 A N . 51086 1
14 . 1 . 1 4 4 LEU H H 1 8.170 0.001 . 1 . . . . . 34 L H . 51086 1
15 . 1 . 1 4 4 LEU C C 13 174.348 0.000 . 1 . . . . . 34 L C . 51086 1
16 . 1 . 1 4 4 LEU CA C 13 55.005 0.000 . 1 . . . . . 34 L CA . 51086 1
17 . 1 . 1 4 4 LEU CB C 13 43.409 0.000 . 1 . . . . . 34 L CB . 51086 1
18 . 1 . 1 4 4 LEU N N 15 125.807 0.000 . 1 . . . . . 34 L N . 51086 1
19 . 1 . 1 5 5 GLN H H 1 8.240 0.003 . 1 . . . . . 35 Q H . 51086 1
20 . 1 . 1 5 5 GLN C C 13 175.048 0.042 . 1 . . . . . 35 Q C . 51086 1
21 . 1 . 1 5 5 GLN CA C 13 53.986 0.015 . 1 . . . . . 35 Q CA . 51086 1
22 . 1 . 1 5 5 GLN CB C 13 31.377 0.000 . 1 . . . . . 35 Q CB . 51086 1
23 . 1 . 1 5 5 GLN N N 15 123.143 0.000 . 1 . . . . . 35 Q N . 51086 1
24 . 1 . 1 6 6 CYS H H 1 9.200 0.005 . 1 . . . . . 36 C H . 51086 1
25 . 1 . 1 6 6 CYS C C 13 173.877 0.047 . 1 . . . . . 36 C C . 51086 1
26 . 1 . 1 6 6 CYS CA C 13 51.283 0.000 . 1 . . . . . 36 C CA . 51086 1
27 . 1 . 1 6 6 CYS N N 15 118.928 0.000 . 1 . . . . . 36 C N . 51086 1
28 . 1 . 1 7 7 PHE H H 1 9.505 0.000 . 1 . . . . . 37 F H . 51086 1
29 . 1 . 1 7 7 PHE C C 13 173.199 0.000 . 1 . . . . . 37 F C . 51086 1
30 . 1 . 1 7 7 PHE CA C 13 55.810 0.000 . 1 . . . . . 37 F CA . 51086 1
31 . 1 . 1 7 7 PHE CB C 13 31.484 0.000 . 1 . . . . . 37 F CB . 51086 1
32 . 1 . 1 7 7 PHE N N 15 123.471 0.000 . 1 . . . . . 37 F N . 51086 1
33 . 1 . 1 8 8 CYS H H 1 8.398 0.009 . 1 . . . . . 38 C H . 51086 1
34 . 1 . 1 8 8 CYS C C 13 175.716 0.000 . 1 . . . . . 38 C C . 51086 1
35 . 1 . 1 8 8 CYS CA C 13 60.912 0.017 . 1 . . . . . 38 C CA . 51086 1
36 . 1 . 1 8 8 CYS CB C 13 38.993 0.000 . 1 . . . . . 38 C CB . 51086 1
37 . 1 . 1 8 8 CYS N N 15 117.409 0.000 . 1 . . . . . 38 C N . 51086 1
38 . 1 . 1 9 9 HIS H H 1 8.395 0.004 . 1 . . . . . 39 H H . 51086 1
39 . 1 . 1 9 9 HIS C C 13 175.690 0.054 . 1 . . . . . 39 H C . 51086 1
40 . 1 . 1 9 9 HIS CA C 13 55.895 0.006 . 1 . . . . . 39 H CA . 51086 1
41 . 1 . 1 9 9 HIS CB C 13 30.652 0.000 . 1 . . . . . 39 H CB . 51086 1
42 . 1 . 1 9 9 HIS N N 15 125.600 0.000 . 1 . . . . . 39 H N . 51086 1
43 . 1 . 1 10 10 LEU H H 1 8.315 0.004 . 1 . . . . . 40 L H . 51086 1
44 . 1 . 1 10 10 LEU C C 13 175.074 0.000 . 1 . . . . . 40 L C . 51086 1
45 . 1 . 1 10 10 LEU CA C 13 52.874 0.000 . 1 . . . . . 40 L CA . 51086 1
46 . 1 . 1 10 10 LEU CB C 13 41.710 0.000 . 1 . . . . . 40 L CB . 51086 1
47 . 1 . 1 10 10 LEU N N 15 125.460 0.000 . 1 . . . . . 40 L N . 51086 1
48 . 1 . 1 13 13 LYS C C 13 176.076 0.000 . 1 . . . . . 43 K C . 51086 1
49 . 1 . 1 13 13 LYS CA C 13 57.253 0.000 . 1 . . . . . 43 K CA . 51086 1
50 . 1 . 1 13 13 LYS CB C 13 32.044 0.000 . 1 . . . . . 43 K CB . 51086 1
51 . 1 . 1 14 14 ASP H H 1 6.954 0.074 . 1 . . . . . 44 D H . 51086 1
52 . 1 . 1 14 14 ASP C C 13 175.816 0.000 . 1 . . . . . 44 D C . 51086 1
53 . 1 . 1 14 14 ASP CA C 13 53.121 0.038 . 1 . . . . . 44 D CA . 51086 1
54 . 1 . 1 14 14 ASP CB C 13 42.304 0.000 . 1 . . . . . 44 D CB . 51086 1
55 . 1 . 1 14 14 ASP N N 15 118.452 0.006 . 1 . . . . . 44 D N . 51086 1
56 . 1 . 1 15 15 ASN H H 1 8.274 0.004 . 1 . . . . . 45 N H . 51086 1
57 . 1 . 1 15 15 ASN C C 13 174.945 0.044 . 1 . . . . . 45 N C . 51086 1
58 . 1 . 1 15 15 ASN CA C 13 54.618 0.027 . 1 . . . . . 45 N CA . 51086 1
59 . 1 . 1 15 15 ASN CB C 13 37.010 0.000 . 1 . . . . . 45 N CB . 51086 1
60 . 1 . 1 15 15 ASN N N 15 116.591 0.000 . 1 . . . . . 45 N N . 51086 1
61 . 1 . 1 16 16 PHE H H 1 7.528 0.005 . 1 . . . . . 46 F H . 51086 1
62 . 1 . 1 16 16 PHE C C 13 174.914 0.000 . 1 . . . . . 46 F C . 51086 1
63 . 1 . 1 16 16 PHE CA C 13 60.011 0.000 . 1 . . . . . 46 F CA . 51086 1
64 . 1 . 1 16 16 PHE CB C 13 35.765 0.000 . 1 . . . . . 46 F CB . 51086 1
65 . 1 . 1 16 16 PHE N N 15 109.457 0.003 . 1 . . . . . 46 F N . 51086 1
66 . 1 . 1 17 17 THR H H 1 7.148 0.004 . 1 . . . . . 47 T H . 51086 1
67 . 1 . 1 17 17 THR C C 13 172.484 0.046 . 1 . . . . . 47 T C . 51086 1
68 . 1 . 1 17 17 THR CA C 13 60.998 0.025 . 1 . . . . . 47 T CA . 51086 1
69 . 1 . 1 17 17 THR CB C 13 73.300 0.000 . 1 . . . . . 47 T CB . 51086 1
70 . 1 . 1 17 17 THR N N 15 112.395 0.015 . 1 . . . . . 47 T N . 51086 1
71 . 1 . 1 18 18 CYS H H 1 8.931 0.005 . 1 . . . . . 48 C H . 51086 1
72 . 1 . 1 18 18 CYS C C 13 171.321 0.000 . 1 . . . . . 48 C C . 51086 1
73 . 1 . 1 18 18 CYS CA C 13 52.983 0.010 . 1 . . . . . 48 C CA . 51086 1
74 . 1 . 1 18 18 CYS CB C 13 47.403 0.000 . 1 . . . . . 48 C CB . 51086 1
75 . 1 . 1 18 18 CYS N N 15 119.216 0.000 . 1 . . . . . 48 C N . 51086 1
76 . 1 . 1 19 19 VAL H H 1 8.496 0.002 . 1 . . . . . 49 V H . 51086 1
77 . 1 . 1 19 19 VAL C C 13 175.863 0.066 . 1 . . . . . 49 V C . 51086 1
78 . 1 . 1 19 19 VAL CA C 13 59.912 0.073 . 1 . . . . . 49 V CA . 51086 1
79 . 1 . 1 19 19 VAL CB C 13 33.517 0.000 . 1 . . . . . 49 V CB . 51086 1
80 . 1 . 1 19 19 VAL N N 15 120.663 0.000 . 1 . . . . . 49 V N . 51086 1
81 . 1 . 1 20 20 THR H H 1 9.191 0.004 . 1 . . . . . 50 T H . 51086 1
82 . 1 . 1 20 20 THR C C 13 170.515 0.000 . 1 . . . . . 50 T C . 51086 1
83 . 1 . 1 20 20 THR CA C 13 59.743 0.103 . 1 . . . . . 50 T CA . 51086 1
84 . 1 . 1 20 20 THR CB C 13 70.951 0.000 . 1 . . . . . 50 T CB . 51086 1
85 . 1 . 1 20 20 THR N N 15 121.322 0.000 . 1 . . . . . 50 T N . 51086 1
86 . 1 . 1 21 21 ASP H H 1 8.012 0.008 . 1 . . . . . 51 D H . 51086 1
87 . 1 . 1 21 21 ASP C C 13 176.301 0.041 . 1 . . . . . 51 D C . 51086 1
88 . 1 . 1 21 21 ASP CA C 13 52.794 0.032 . 1 . . . . . 51 D CA . 51086 1
89 . 1 . 1 21 21 ASP CB C 13 40.882 0.000 . 1 . . . . . 51 D CB . 51086 1
90 . 1 . 1 21 21 ASP N N 15 122.146 0.015 . 1 . . . . . 51 D N . 51086 1
91 . 1 . 1 22 22 GLY H H 1 8.434 0.003 . 1 . . . . . 52 G H . 51086 1
92 . 1 . 1 22 22 GLY C C 13 172.345 0.000 . 1 . . . . . 52 G C . 51086 1
93 . 1 . 1 22 22 GLY CA C 13 44.510 0.069 . 1 . . . . . 52 G CA . 51086 1
94 . 1 . 1 22 22 GLY N N 15 112.479 0.000 . 1 . . . . . 52 G N . 51086 1
95 . 1 . 1 23 23 LEU H H 1 8.697 0.003 . 1 . . . . . 53 L H . 51086 1
96 . 1 . 1 23 23 LEU C C 13 174.934 0.000 . 1 . . . . . 53 L C . 51086 1
97 . 1 . 1 23 23 LEU CA C 13 53.350 0.008 . 1 . . . . . 53 L CA . 51086 1
98 . 1 . 1 23 23 LEU CB C 13 47.050 0.000 . 1 . . . . . 53 L CB . 51086 1
99 . 1 . 1 23 23 LEU N N 15 123.376 0.000 . 1 . . . . . 53 L N . 51086 1
100 . 1 . 1 24 24 CYS H H 1 8.227 0.004 . 1 . . . . . 54 C H . 51086 1
101 . 1 . 1 24 24 CYS C C 13 174.024 0.000 . 1 . . . . . 54 C C . 51086 1
102 . 1 . 1 24 24 CYS CA C 13 52.297 0.010 . 1 . . . . . 54 C CA . 51086 1
103 . 1 . 1 24 24 CYS CB C 13 36.790 0.000 . 1 . . . . . 54 C CB . 51086 1
104 . 1 . 1 24 24 CYS N N 15 115.121 0.000 . 1 . . . . . 54 C N . 51086 1
105 . 1 . 1 25 25 PHE H H 1 8.726 0.002 . 1 . . . . . 55 F H . 51086 1
106 . 1 . 1 25 25 PHE C C 13 175.631 0.000 . 1 . . . . . 55 F C . 51086 1
107 . 1 . 1 25 25 PHE CA C 13 56.525 0.025 . 1 . . . . . 55 F CA . 51086 1
108 . 1 . 1 25 25 PHE CB C 13 43.682 0.000 . 1 . . . . . 55 F CB . 51086 1
109 . 1 . 1 25 25 PHE N N 15 122.224 0.000 . 1 . . . . . 55 F N . 51086 1
110 . 1 . 1 26 26 VAL H H 1 8.833 0.002 . 1 . . . . . 56 V H . 51086 1
111 . 1 . 1 26 26 VAL CA C 13 59.574 0.033 . 1 . . . . . 56 V CA . 51086 1
112 . 1 . 1 26 26 VAL N N 15 131.706 0.000 . 1 . . . . . 56 V N . 51086 1
113 . 1 . 1 27 27 SER H H 1 8.852 0.002 . 1 . . . . . 57 S H . 51086 1
114 . 1 . 1 27 27 SER C C 13 173.128 0.000 . 1 . . . . . 57 S C . 51086 1
115 . 1 . 1 27 27 SER CA C 13 55.518 0.022 . 1 . . . . . 57 S CA . 51086 1
116 . 1 . 1 27 27 SER CB C 13 67.281 0.000 . 1 . . . . . 57 S CB . 51086 1
117 . 1 . 1 27 27 SER N N 15 118.410 0.000 . 1 . . . . . 57 S N . 51086 1
118 . 1 . 1 28 28 VAL H H 1 8.694 0.007 . 1 . . . . . 58 V H . 51086 1
119 . 1 . 1 28 28 VAL C C 13 175.450 0.039 . 1 . . . . . 58 V C . 51086 1
120 . 1 . 1 28 28 VAL CA C 13 61.182 0.000 . 1 . . . . . 58 V CA . 51086 1
121 . 1 . 1 28 28 VAL N N 15 120.304 0.000 . 1 . . . . . 58 V N . 51086 1
122 . 1 . 1 29 29 THR H H 1 9.131 0.002 . 1 . . . . . 59 T H . 51086 1
123 . 1 . 1 29 29 THR C C 13 173.184 0.000 . 1 . . . . . 59 T C . 51086 1
124 . 1 . 1 29 29 THR CA C 13 61.809 0.027 . 1 . . . . . 59 T CA . 51086 1
125 . 1 . 1 29 29 THR CB C 13 70.949 0.000 . 1 . . . . . 59 T CB . 51086 1
126 . 1 . 1 29 29 THR N N 15 125.086 0.000 . 1 . . . . . 59 T N . 51086 1
127 . 1 . 1 30 30 GLU H H 1 9.053 0.003 . 1 . . . . . 60 E H . 51086 1
128 . 1 . 1 30 30 GLU C C 13 175.702 0.028 . 1 . . . . . 60 E C . 51086 1
129 . 1 . 1 30 30 GLU CA C 13 55.761 0.009 . 1 . . . . . 60 E CA . 51086 1
130 . 1 . 1 30 30 GLU CB C 13 31.453 0.000 . 1 . . . . . 60 E CB . 51086 1
131 . 1 . 1 30 30 GLU N N 15 127.852 0.000 . 1 . . . . . 60 E N . 51086 1
132 . 1 . 1 31 31 THR H H 1 8.390 0.002 . 1 . . . . . 61 T H . 51086 1
133 . 1 . 1 31 31 THR C C 13 177.507 0.000 . 1 . . . . . 61 T C . 51086 1
134 . 1 . 1 31 31 THR CA C 13 59.939 0.000 . 1 . . . . . 61 T CA . 51086 1
135 . 1 . 1 31 31 THR CB C 13 70.914 0.000 . 1 . . . . . 61 T CB . 51086 1
136 . 1 . 1 31 31 THR N N 15 117.128 0.000 . 1 . . . . . 61 T N . 51086 1
137 . 1 . 1 32 32 THR H H 1 7.945 0.003 . 1 . . . . . 62 T H . 51086 1
138 . 1 . 1 32 32 THR C C 13 174.948 0.000 . 1 . . . . . 62 T C . 51086 1
139 . 1 . 1 32 32 THR CA C 13 64.982 0.231 . 1 . . . . . 62 T CA . 51086 1
140 . 1 . 1 32 32 THR CB C 13 68.879 0.000 . 1 . . . . . 62 T CB . 51086 1
141 . 1 . 1 32 32 THR N N 15 113.977 0.002 . 1 . . . . . 62 T N . 51086 1
142 . 1 . 1 33 33 ASP H H 1 8.219 0.003 . 1 . . . . . 63 D H . 51086 1
143 . 1 . 1 33 33 ASP C C 13 175.280 0.050 . 1 . . . . . 63 D C . 51086 1
144 . 1 . 1 33 33 ASP CA C 13 54.295 0.049 . 1 . . . . . 63 D CA . 51086 1
145 . 1 . 1 33 33 ASP CB C 13 42.054 0.000 . 1 . . . . . 63 D CB . 51086 1
146 . 1 . 1 33 33 ASP N N 15 116.897 0.000 . 1 . . . . . 63 D N . 51086 1
147 . 1 . 1 34 34 LYS H H 1 7.597 0.005 . 1 . . . . . 64 K H . 51086 1
148 . 1 . 1 34 34 LYS C C 13 174.457 0.000 . 1 . . . . . 64 K C . 51086 1
149 . 1 . 1 34 34 LYS CA C 13 55.868 0.011 . 1 . . . . . 64 K CA . 51086 1
150 . 1 . 1 34 34 LYS CB C 13 35.537 0.000 . 1 . . . . . 64 K CB . 51086 1
151 . 1 . 1 34 34 LYS N N 15 118.437 0.003 . 1 . . . . . 64 K N . 51086 1
152 . 1 . 1 35 35 VAL H H 1 8.195 0.005 . 1 . . . . . 65 V H . 51086 1
153 . 1 . 1 35 35 VAL C C 13 175.012 0.036 . 1 . . . . . 65 V C . 51086 1
154 . 1 . 1 35 35 VAL CA C 13 61.702 0.000 . 1 . . . . . 65 V CA . 51086 1
155 . 1 . 1 35 35 VAL CB C 13 33.344 0.000 . 1 . . . . . 65 V CB . 51086 1
156 . 1 . 1 35 35 VAL N N 15 122.226 0.000 . 1 . . . . . 65 V N . 51086 1
157 . 1 . 1 36 36 ILE H H 1 8.959 0.004 . 1 . . . . . 66 I H . 51086 1
158 . 1 . 1 36 36 ILE C C 13 175.830 0.000 . 1 . . . . . 66 I C . 51086 1
159 . 1 . 1 36 36 ILE CA C 13 60.276 0.038 . 1 . . . . . 66 I CA . 51086 1
160 . 1 . 1 36 36 ILE CB C 13 41.083 0.000 . 1 . . . . . 66 I CB . 51086 1
161 . 1 . 1 36 36 ILE N N 15 125.832 0.000 . 1 . . . . . 66 I N . 51086 1
162 . 1 . 1 37 37 HIS H H 1 8.820 0.003 . 1 . . . . . 67 H H . 51086 1
163 . 1 . 1 37 37 HIS C C 13 174.578 0.000 . 1 . . . . . 67 H C . 51086 1
164 . 1 . 1 37 37 HIS CA C 13 54.099 0.058 . 1 . . . . . 67 H CA . 51086 1
165 . 1 . 1 37 37 HIS N N 15 128.670 0.000 . 1 . . . . . 67 H N . 51086 1
166 . 1 . 1 38 38 ASN H H 1 8.693 0.004 . 1 . . . . . 68 N H . 51086 1
167 . 1 . 1 38 38 ASN CA C 13 53.215 0.000 . 1 . . . . . 68 N CA . 51086 1
168 . 1 . 1 38 38 ASN N N 15 119.004 0.000 . 1 . . . . . 68 N N . 51086 1
169 . 1 . 1 42 42 ILE C C 13 174.351 0.000 . 1 . . . . . 72 I C . 51086 1
170 . 1 . 1 42 42 ILE CA C 13 59.514 0.000 . 1 . . . . . 72 I CA . 51086 1
171 . 1 . 1 43 43 ALA H H 1 8.777 0.004 . 1 . . . . . 73 A H . 51086 1
172 . 1 . 1 43 43 ALA C C 13 178.115 0.047 . 1 . . . . . 73 A C . 51086 1
173 . 1 . 1 43 43 ALA CA C 13 51.983 0.079 . 1 . . . . . 73 A CA . 51086 1
174 . 1 . 1 43 43 ALA CB C 13 19.805 0.000 . 1 . . . . . 73 A CB . 51086 1
175 . 1 . 1 43 43 ALA N N 15 129.534 0.000 . 1 . . . . . 73 A N . 51086 1
176 . 1 . 1 44 44 GLU H H 1 8.670 0.004 . 1 . . . . . 74 E H . 51086 1
177 . 1 . 1 44 44 GLU C C 13 179.749 0.035 . 1 . . . . . 74 E C . 51086 1
178 . 1 . 1 44 44 GLU CA C 13 60.547 0.013 . 1 . . . . . 74 E CA . 51086 1
179 . 1 . 1 44 44 GLU CB C 13 29.185 0.000 . 1 . . . . . 74 E CB . 51086 1
180 . 1 . 1 44 44 GLU N N 15 122.972 0.000 . 1 . . . . . 74 E N . 51086 1
181 . 1 . 1 45 45 ILE H H 1 8.328 0.004 . 1 . . . . . 75 I H . 51086 1
182 . 1 . 1 45 45 ILE C C 13 175.972 0.041 . 1 . . . . . 75 I C . 51086 1
183 . 1 . 1 45 45 ILE CA C 13 62.900 0.012 . 1 . . . . . 75 I CA . 51086 1
184 . 1 . 1 45 45 ILE N N 15 115.126 0.000 . 1 . . . . . 75 I N . 51086 1
185 . 1 . 1 46 46 ASP H H 1 7.336 0.004 . 1 . . . . . 76 D H . 51086 1
186 . 1 . 1 46 46 ASP C C 13 176.309 0.000 . 1 . . . . . 76 D C . 51086 1
187 . 1 . 1 46 46 ASP CA C 13 55.243 0.016 . 1 . . . . . 76 D CA . 51086 1
188 . 1 . 1 46 46 ASP CB C 13 41.599 0.000 . 1 . . . . . 76 D CB . 51086 1
189 . 1 . 1 46 46 ASP N N 15 119.952 0.008 . 1 . . . . . 76 D N . 51086 1
190 . 1 . 1 47 47 LEU H H 1 7.651 0.005 . 1 . . . . . 77 L H . 51086 1
191 . 1 . 1 47 47 LEU C C 13 176.136 0.000 . 1 . . . . . 77 L C . 51086 1
192 . 1 . 1 47 47 LEU CA C 13 55.564 0.006 . 1 . . . . . 77 L CA . 51086 1
193 . 1 . 1 47 47 LEU CB C 13 42.313 0.000 . 1 . . . . . 77 L CB . 51086 1
194 . 1 . 1 47 47 LEU N N 15 120.720 0.005 . 1 . . . . . 77 L N . 51086 1
195 . 1 . 1 48 48 ILE H H 1 6.968 0.004 . 1 . . . . . 78 I H . 51086 1
196 . 1 . 1 48 48 ILE C C 13 174.754 0.000 . 1 . . . . . 78 I C . 51086 1
197 . 1 . 1 48 48 ILE CA C 13 60.992 0.000 . 1 . . . . . 78 I CA . 51086 1
198 . 1 . 1 48 48 ILE CB C 13 38.645 0.000 . 1 . . . . . 78 I CB . 51086 1
199 . 1 . 1 48 48 ILE N N 15 117.423 0.005 . 1 . . . . . 78 I N . 51086 1
200 . 1 . 1 50 50 ARG C C 13 175.700 0.000 . 1 . . . . . 80 R C . 51086 1
201 . 1 . 1 50 50 ARG CA C 13 56.627 0.000 . 1 . . . . . 80 R CA . 51086 1
202 . 1 . 1 50 50 ARG CB C 13 29.884 0.000 . 1 . . . . . 80 R CB . 51086 1
203 . 1 . 1 51 51 ASP H H 1 7.887 0.006 . 1 . . . . . 81 D H . 51086 1
204 . 1 . 1 51 51 ASP C C 13 174.769 0.000 . 1 . . . . . 81 D C . 51086 1
205 . 1 . 1 51 51 ASP CA C 13 54.019 0.001 . 1 . . . . . 81 D CA . 51086 1
206 . 1 . 1 51 51 ASP CB C 13 39.551 0.000 . 1 . . . . . 81 D CB . 51086 1
207 . 1 . 1 51 51 ASP N N 15 121.137 0.008 . 1 . . . . . 81 D N . 51086 1
208 . 1 . 1 52 52 ARG H H 1 7.621 0.006 . 1 . . . . . 82 R H . 51086 1
209 . 1 . 1 52 52 ARG C C 13 172.921 0.000 . 1 . . . . . 82 R C . 51086 1
210 . 1 . 1 52 52 ARG CA C 13 53.559 0.000 . 1 . . . . . 82 R CA . 51086 1
211 . 1 . 1 52 52 ARG CB C 13 30.355 0.000 . 1 . . . . . 82 R CB . 51086 1
212 . 1 . 1 52 52 ARG N N 15 117.656 0.017 . 1 . . . . . 82 R N . 51086 1
213 . 1 . 1 53 53 PRO C C 13 176.128 0.000 . 1 . . . . . 83 P C . 51086 1
214 . 1 . 1 53 53 PRO CA C 13 63.079 0.000 . 1 . . . . . 83 P CA . 51086 1
215 . 1 . 1 53 53 PRO CB C 13 32.015 0.000 . 1 . . . . . 83 P CB . 51086 1
216 . 1 . 1 54 54 PHE H H 1 8.836 0.001 . 1 . . . . . 84 F H . 51086 1
217 . 1 . 1 54 54 PHE C C 13 178.802 0.000 . 1 . . . . . 84 F C . 51086 1
218 . 1 . 1 54 54 PHE CA C 13 57.765 0.035 . 1 . . . . . 84 F CA . 51086 1
219 . 1 . 1 54 54 PHE CB C 13 39.405 0.000 . 1 . . . . . 84 F CB . 51086 1
220 . 1 . 1 54 54 PHE N N 15 124.643 0.000 . 1 . . . . . 84 F N . 51086 1
221 . 1 . 1 55 55 VAL H H 1 8.303 0.003 . 1 . . . . . 85 V H . 51086 1
222 . 1 . 1 55 55 VAL C C 13 177.039 0.000 . 1 . . . . . 85 V C . 51086 1
223 . 1 . 1 55 55 VAL CA C 13 64.525 0.233 . 1 . . . . . 85 V CA . 51086 1
224 . 1 . 1 55 55 VAL CB C 13 32.004 0.000 . 1 . . . . . 85 V CB . 51086 1
225 . 1 . 1 55 55 VAL N N 15 127.576 0.000 . 1 . . . . . 85 V N . 51086 1
226 . 1 . 1 56 56 CYS H H 1 8.631 0.004 . 1 . . . . . 86 C H . 51086 1
227 . 1 . 1 56 56 CYS CA C 13 55.583 0.000 . 1 . . . . . 86 C CA . 51086 1
228 . 1 . 1 56 56 CYS N N 15 121.577 0.000 . 1 . . . . . 86 C N . 51086 1
229 . 1 . 1 58 58 PRO C C 13 176.669 0.000 . 1 . . . . . 88 P C . 51086 1
230 . 1 . 1 58 58 PRO CA C 13 63.130 0.000 . 1 . . . . . 88 P CA . 51086 1
231 . 1 . 1 58 58 PRO CB C 13 32.607 0.000 . 1 . . . . . 88 P CB . 51086 1
232 . 1 . 1 59 59 SER H H 1 8.488 0.002 . 1 . . . . . 89 S H . 51086 1
233 . 1 . 1 59 59 SER CA C 13 58.088 0.000 . 1 . . . . . 89 S CA . 51086 1
234 . 1 . 1 59 59 SER CB C 13 64.601 0.000 . 1 . . . . . 89 S CB . 51086 1
235 . 1 . 1 59 59 SER N N 15 115.297 0.000 . 1 . . . . . 89 S N . 51086 1
236 . 1 . 1 63 63 GLY C C 13 174.095 0.000 . 1 . . . . . 93 G C . 51086 1
237 . 1 . 1 63 63 GLY CA C 13 45.621 0.000 . 1 . . . . . 93 G CA . 51086 1
238 . 1 . 1 64 64 SER H H 1 7.971 0.004 . 1 . . . . . 94 S H . 51086 1
239 . 1 . 1 64 64 SER C C 13 173.881 0.000 . 1 . . . . . 94 S C . 51086 1
240 . 1 . 1 64 64 SER CA C 13 57.864 0.045 . 1 . . . . . 94 S CA . 51086 1
241 . 1 . 1 64 64 SER CB C 13 64.725 0.000 . 1 . . . . . 94 S CB . 51086 1
242 . 1 . 1 64 64 SER N N 15 114.630 0.005 . 1 . . . . . 94 S N . 51086 1
243 . 1 . 1 65 65 VAL H H 1 8.386 0.003 . 1 . . . . . 95 V H . 51086 1
244 . 1 . 1 65 65 VAL C C 13 175.501 0.044 . 1 . . . . . 95 V C . 51086 1
245 . 1 . 1 65 65 VAL CA C 13 62.729 0.000 . 1 . . . . . 95 V CA . 51086 1
246 . 1 . 1 65 65 VAL CB C 13 32.745 0.000 . 1 . . . . . 95 V CB . 51086 1
247 . 1 . 1 65 65 VAL N N 15 122.297 0.000 . 1 . . . . . 95 V N . 51086 1
248 . 1 . 1 66 66 THR H H 1 8.526 0.002 . 1 . . . . . 96 T H . 51086 1
249 . 1 . 1 66 66 THR C C 13 173.981 0.000 . 1 . . . . . 96 T C . 51086 1
250 . 1 . 1 66 66 THR CA C 13 62.044 0.000 . 1 . . . . . 96 T CA . 51086 1
251 . 1 . 1 66 66 THR CB C 13 71.334 0.000 . 1 . . . . . 96 T CB . 51086 1
252 . 1 . 1 66 66 THR N N 15 123.080 0.000 . 1 . . . . . 96 T N . 51086 1
253 . 1 . 1 67 67 THR H H 1 9.016 0.005 . 1 . . . . . 97 T H . 51086 1
254 . 1 . 1 67 67 THR C C 13 172.452 0.000 . 1 . . . . . 97 T C . 51086 1
255 . 1 . 1 67 67 THR CA C 13 62.698 0.043 . 1 . . . . . 97 T CA . 51086 1
256 . 1 . 1 67 67 THR CB C 13 70.042 0.000 . 1 . . . . . 97 T CB . 51086 1
257 . 1 . 1 67 67 THR N N 15 125.306 0.000 . 1 . . . . . 97 T N . 51086 1
258 . 1 . 1 68 68 THR H H 1 8.118 0.007 . 1 . . . . . 98 T H . 51086 1
259 . 1 . 1 68 68 THR C C 13 172.160 0.000 . 1 . . . . . 98 T C . 51086 1
260 . 1 . 1 68 68 THR CA C 13 61.471 0.024 . 1 . . . . . 98 T CA . 51086 1
261 . 1 . 1 68 68 THR CB C 13 64.341 0.000 . 1 . . . . . 98 T CB . 51086 1
262 . 1 . 1 68 68 THR N N 15 120.563 0.000 . 1 . . . . . 98 T N . 51086 1
263 . 1 . 1 69 69 TYR H H 1 8.628 0.006 . 1 . . . . . 99 Y H . 51086 1
264 . 1 . 1 69 69 TYR C C 13 172.229 0.000 . 1 . . . . . 99 Y C . 51086 1
265 . 1 . 1 69 69 TYR CA C 13 57.118 0.008 . 1 . . . . . 99 Y CA . 51086 1
266 . 1 . 1 69 69 TYR CB C 13 42.468 0.000 . 1 . . . . . 99 Y CB . 51086 1
267 . 1 . 1 69 69 TYR N N 15 121.880 0.000 . 1 . . . . . 99 Y N . 51086 1
268 . 1 . 1 70 70 CYS H H 1 7.458 0.003 . 1 . . . . . 100 C H . 51086 1
269 . 1 . 1 70 70 CYS C C 13 171.023 0.000 . 1 . . . . . 100 C C . 51086 1
270 . 1 . 1 70 70 CYS CA C 13 51.983 0.019 . 1 . . . . . 100 C CA . 51086 1
271 . 1 . 1 70 70 CYS CB C 13 46.819 0.000 . 1 . . . . . 100 C CB . 51086 1
272 . 1 . 1 70 70 CYS N N 15 123.180 0.014 . 1 . . . . . 100 C N . 51086 1
273 . 1 . 1 71 71 CYS H H 1 8.858 0.004 . 1 . . . . . 101 C H . 51086 1
274 . 1 . 1 71 71 CYS C C 13 172.872 0.000 . 1 . . . . . 101 C C . 51086 1
275 . 1 . 1 71 71 CYS CA C 13 54.617 0.029 . 1 . . . . . 101 C CA . 51086 1
276 . 1 . 1 71 71 CYS CB C 13 47.021 0.000 . 1 . . . . . 101 C CB . 51086 1
277 . 1 . 1 71 71 CYS N N 15 113.756 0.000 . 1 . . . . . 101 C N . 51086 1
278 . 1 . 1 72 72 ASN H H 1 8.473 0.003 . 1 . . . . . 102 N H . 51086 1
279 . 1 . 1 72 72 ASN C C 13 173.709 0.051 . 1 . . . . . 102 N C . 51086 1
280 . 1 . 1 72 72 ASN CA C 13 52.037 0.022 . 1 . . . . . 102 N CA . 51086 1
281 . 1 . 1 72 72 ASN CB C 13 38.889 0.000 . 1 . . . . . 102 N CB . 51086 1
282 . 1 . 1 72 72 ASN N N 15 119.377 0.000 . 1 . . . . . 102 N N . 51086 1
283 . 1 . 1 73 73 GLN H H 1 7.240 0.004 . 1 . . . . . 103 Q H . 51086 1
284 . 1 . 1 73 73 GLN C C 13 174.719 0.030 . 1 . . . . . 103 Q C . 51086 1
285 . 1 . 1 73 73 GLN CA C 13 54.207 0.048 . 1 . . . . . 103 Q CA . 51086 1
286 . 1 . 1 73 73 GLN CB C 13 32.673 0.000 . 1 . . . . . 103 Q CB . 51086 1
287 . 1 . 1 73 73 GLN N N 15 117.946 0.016 . 1 . . . . . 103 Q N . 51086 1
288 . 1 . 1 74 74 ASP H H 1 8.522 0.001 . 1 . . . . . 104 D H . 51086 1
289 . 1 . 1 74 74 ASP C C 13 178.002 0.031 . 1 . . . . . 104 D C . 51086 1
290 . 1 . 1 74 74 ASP CA C 13 55.661 0.020 . 1 . . . . . 104 D CA . 51086 1
291 . 1 . 1 74 74 ASP CB C 13 40.709 0.000 . 1 . . . . . 104 D CB . 51086 1
292 . 1 . 1 74 74 ASP N N 15 122.845 0.000 . 1 . . . . . 104 D N . 51086 1
293 . 1 . 1 75 75 HIS H H 1 9.519 0.006 . 1 . . . . . 105 H H . 51086 1
294 . 1 . 1 75 75 HIS C C 13 176.487 0.040 . 1 . . . . . 105 H C . 51086 1
295 . 1 . 1 75 75 HIS CA C 13 59.481 0.013 . 1 . . . . . 105 H CA . 51086 1
296 . 1 . 1 75 75 HIS CB C 13 29.088 0.000 . 1 . . . . . 105 H CB . 51086 1
297 . 1 . 1 75 75 HIS N N 15 114.633 0.000 . 1 . . . . . 105 H N . 51086 1
298 . 1 . 1 76 76 CYS H H 1 8.580 0.002 . 1 . . . . . 106 C H . 51086 1
299 . 1 . 1 76 76 CYS C C 13 172.815 0.000 . 1 . . . . . 106 C C . 51086 1
300 . 1 . 1 76 76 CYS CA C 13 57.875 0.067 . 1 . . . . . 106 C CA . 51086 1
301 . 1 . 1 76 76 CYS CB C 13 47.519 0.000 . 1 . . . . . 106 C CB . 51086 1
302 . 1 . 1 76 76 CYS N N 15 116.502 0.000 . 1 . . . . . 106 C N . 51086 1
303 . 1 . 1 77 77 ASN H H 1 8.587 0.006 . 1 . . . . . 107 N H . 51086 1
304 . 1 . 1 77 77 ASN C C 13 173.037 0.039 . 1 . . . . . 107 N C . 51086 1
305 . 1 . 1 77 77 ASN CA C 13 52.057 0.022 . 1 . . . . . 107 N CA . 51086 1
306 . 1 . 1 77 77 ASN CB C 13 38.267 0.000 . 1 . . . . . 107 N CB . 51086 1
307 . 1 . 1 77 77 ASN N N 15 118.670 0.000 . 1 . . . . . 107 N N . 51086 1
308 . 1 . 1 78 78 LYS H H 1 7.122 0.004 . 1 . . . . . 108 K H . 51086 1
309 . 1 . 1 78 78 LYS C C 13 173.482 0.039 . 1 . . . . . 108 K C . 51086 1
310 . 1 . 1 78 78 LYS CA C 13 57.696 0.047 . 1 . . . . . 108 K CA . 51086 1
311 . 1 . 1 78 78 LYS N N 15 121.082 0.003 . 1 . . . . . 108 K N . 51086 1
312 . 1 . 1 79 79 ILE H H 1 6.387 0.005 . 1 . . . . . 109 I H . 51086 1
313 . 1 . 1 79 79 ILE C C 13 173.240 0.000 . 1 . . . . . 109 I C . 51086 1
314 . 1 . 1 79 79 ILE CA C 13 59.555 0.004 . 1 . . . . . 109 I CA . 51086 1
315 . 1 . 1 79 79 ILE N N 15 124.259 0.004 . 1 . . . . . 109 I N . 51086 1
316 . 1 . 1 80 80 GLU H H 1 7.735 0.006 . 1 . . . . . 110 E H . 51086 1
317 . 1 . 1 80 80 GLU C C 13 175.299 0.046 . 1 . . . . . 110 E C . 51086 1
318 . 1 . 1 80 80 GLU CA C 13 55.428 0.013 . 1 . . . . . 110 E CA . 51086 1
319 . 1 . 1 80 80 GLU CB C 13 31.570 0.000 . 1 . . . . . 110 E CB . 51086 1
320 . 1 . 1 80 80 GLU N N 15 124.613 0.015 . 1 . . . . . 110 E N . 51086 1
321 . 1 . 1 81 81 LEU H H 1 8.370 0.004 . 1 . . . . . 111 L H . 51086 1
322 . 1 . 1 81 81 LEU C C 13 175.190 0.000 . 1 . . . . . 111 L C . 51086 1
323 . 1 . 1 81 81 LEU CA C 13 52.996 0.000 . 1 . . . . . 111 L CA . 51086 1
324 . 1 . 1 81 81 LEU CB C 13 41.594 0.000 . 1 . . . . . 111 L CB . 51086 1
325 . 1 . 1 81 81 LEU N N 15 124.667 0.000 . 1 . . . . . 111 L N . 51086 1
326 . 1 . 1 82 82 PRO C C 13 176.853 0.031 . 1 . . . . . 112 P C . 51086 1
327 . 1 . 1 82 82 PRO CA C 13 63.085 0.024 . 1 . . . . . 112 P CA . 51086 1
328 . 1 . 1 82 82 PRO CB C 13 32.112 0.000 . 1 . . . . . 112 P CB . 51086 1
329 . 1 . 1 83 83 THR H H 1 8.256 0.002 . 1 . . . . . 113 T H . 51086 1
330 . 1 . 1 83 83 THR C C 13 174.644 0.039 . 1 . . . . . 113 T C . 51086 1
331 . 1 . 1 83 83 THR CA C 13 61.885 0.058 . 1 . . . . . 113 T CA . 51086 1
332 . 1 . 1 83 83 THR CB C 13 69.841 0.000 . 1 . . . . . 113 T CB . 51086 1
333 . 1 . 1 83 83 THR N N 15 114.603 0.000 . 1 . . . . . 113 T N . 51086 1
334 . 1 . 1 84 84 THR H H 1 8.133 0.004 . 1 . . . . . 114 T H . 51086 1
335 . 1 . 1 84 84 THR C C 13 173.516 0.041 . 1 . . . . . 114 T C . 51086 1
336 . 1 . 1 84 84 THR CA C 13 61.700 0.091 . 1 . . . . . 114 T CA . 51086 1
337 . 1 . 1 84 84 THR CB C 13 70.067 0.000 . 1 . . . . . 114 T CB . 51086 1
338 . 1 . 1 84 84 THR N N 15 117.086 0.012 . 1 . . . . . 114 T N . 51086 1
339 . 1 . 1 85 85 VAL H H 1 7.761 0.004 . 1 . . . . . 115 V H . 51086 1
340 . 1 . 1 85 85 VAL C C 13 180.791 0.000 . 1 . . . . . 115 V C . 51086 1
341 . 1 . 1 85 85 VAL CA C 13 63.768 0.000 . 1 . . . . . 115 V CA . 51086 1
342 . 1 . 1 85 85 VAL CB C 13 33.121 0.000 . 1 . . . . . 115 V CB . 51086 1
343 . 1 . 1 85 85 VAL N N 15 126.323 0.002 . 1 . . . . . 115 V N . 51086 1
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