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 51085
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'TbRII bound to TGM-1 D3 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' . . . 51085 1
2 '3D CBCA(CO)NH' . . . 51085 1
3 '3D HNCACB' . . . 51085 1
4 '3D HN(CA)CO' . . . 51085 1
5 '3D HNCO' . . . 51085 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 . . 51085 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 3 3 THR C C 13 173.692 0.054 . 1 . . . . . 39 THR C . 51085 1
2 . 1 . 1 3 3 THR CA C 13 62.091 0.122 . 1 . . . . . 39 THR CA . 51085 1
3 . 1 . 1 3 3 THR CB C 13 70.206 0.203 . 1 . . . . . 39 THR CB . 51085 1
4 . 1 . 1 4 4 ASP H H 1 8.424 0.003 . 1 . . . . . 40 ASP H . 51085 1
5 . 1 . 1 4 4 ASP C C 13 175.843 0.001 . 1 . . . . . 40 ASP C . 51085 1
6 . 1 . 1 4 4 ASP CA C 13 54.346 0.185 . 1 . . . . . 40 ASP CA . 51085 1
7 . 1 . 1 4 4 ASP CB C 13 41.564 0.178 . 1 . . . . . 40 ASP CB . 51085 1
8 . 1 . 1 4 4 ASP N N 15 123.449 0.018 . 1 . . . . . 40 ASP N . 51085 1
9 . 1 . 1 5 5 ASN H H 1 8.394 0.002 . 1 . . . . . 41 ASN H . 51085 1
10 . 1 . 1 5 5 ASN C C 13 175.129 0.050 . 1 . . . . . 41 ASN C . 51085 1
11 . 1 . 1 5 5 ASN CA C 13 53.648 0.149 . 1 . . . . . 41 ASN CA . 51085 1
12 . 1 . 1 5 5 ASN CB C 13 39.126 0.203 . 1 . . . . . 41 ASN CB . 51085 1
13 . 1 . 1 5 5 ASN N N 15 119.437 0.012 . 1 . . . . . 41 ASN N . 51085 1
14 . 1 . 1 6 6 ALA H H 1 8.283 0.003 . 1 . . . . . 42 ALA H . 51085 1
15 . 1 . 1 6 6 ALA C C 13 178.133 0.044 . 1 . . . . . 42 ALA C . 51085 1
16 . 1 . 1 6 6 ALA CA C 13 53.291 0.188 . 1 . . . . . 42 ALA CA . 51085 1
17 . 1 . 1 6 6 ALA CB C 13 19.185 0.209 . 1 . . . . . 42 ALA CB . 51085 1
18 . 1 . 1 6 6 ALA N N 15 124.156 0.014 . 1 . . . . . 42 ALA N . 51085 1
19 . 1 . 1 7 7 GLY H H 1 8.252 0.002 . 1 . . . . . 43 GLY H . 51085 1
20 . 1 . 1 7 7 GLY C C 13 173.720 0.057 . 1 . . . . . 43 GLY C . 51085 1
21 . 1 . 1 7 7 GLY CA C 13 45.479 0.190 . 1 . . . . . 43 GLY CA . 51085 1
22 . 1 . 1 7 7 GLY N N 15 107.557 0.019 . 1 . . . . . 43 GLY N . 51085 1
23 . 1 . 1 8 8 ALA H H 1 7.935 0.002 . 1 . . . . . 44 ALA H . 51085 1
24 . 1 . 1 8 8 ALA C C 13 177.320 0.048 . 1 . . . . . 44 ALA C . 51085 1
25 . 1 . 1 8 8 ALA CA C 13 52.408 0.190 . 1 . . . . . 44 ALA CA . 51085 1
26 . 1 . 1 8 8 ALA CB C 13 19.582 0.195 . 1 . . . . . 44 ALA CB . 51085 1
27 . 1 . 1 8 8 ALA N N 15 123.548 0.008 . 1 . . . . . 44 ALA N . 51085 1
28 . 1 . 1 9 9 VAL H H 1 7.921 0.003 . 1 . . . . . 45 VAL H . 51085 1
29 . 1 . 1 9 9 VAL C C 13 174.863 0.046 . 1 . . . . . 45 VAL C . 51085 1
30 . 1 . 1 9 9 VAL CA C 13 62.207 0.153 . 1 . . . . . 45 VAL CA . 51085 1
31 . 1 . 1 9 9 VAL CB C 13 33.197 0.195 . 1 . . . . . 45 VAL CB . 51085 1
32 . 1 . 1 9 9 VAL N N 15 119.777 0.008 . 1 . . . . . 45 VAL N . 51085 1
33 . 1 . 1 10 10 LYS H H 1 8.021 0.003 . 1 . . . . . 46 LYS H . 51085 1
34 . 1 . 1 10 10 LYS C C 13 174.813 0.200 . 1 . . . . . 46 LYS C . 51085 1
35 . 1 . 1 10 10 LYS CA C 13 55.516 0.200 . 1 . . . . . 46 LYS CA . 51085 1
36 . 1 . 1 10 10 LYS CB C 13 33.619 0.200 . 1 . . . . . 46 LYS CB . 51085 1
37 . 1 . 1 10 10 LYS N N 15 126.442 0.045 . 1 . . . . . 46 LYS N . 51085 1
38 . 1 . 1 12 12 PRO C C 13 174.834 0.200 . 1 . . . . . 48 PRO C . 51085 1
39 . 1 . 1 12 12 PRO CA C 13 63.261 0.200 . 1 . . . . . 48 PRO CA . 51085 1
40 . 1 . 1 12 12 PRO CB C 13 33.096 0.200 . 1 . . . . . 48 PRO CB . 51085 1
41 . 1 . 1 13 13 GLN H H 1 8.970 0.005 . 1 . . . . . 49 GLN H . 51085 1
42 . 1 . 1 13 13 GLN C C 13 173.598 0.200 . 1 . . . . . 49 GLN C . 51085 1
43 . 1 . 1 13 13 GLN CA C 13 54.683 0.200 . 1 . . . . . 49 GLN CA . 51085 1
44 . 1 . 1 13 13 GLN CB C 13 32.462 0.200 . 1 . . . . . 49 GLN CB . 51085 1
45 . 1 . 1 13 13 GLN N N 15 121.220 0.019 . 1 . . . . . 49 GLN N . 51085 1
46 . 1 . 1 14 14 LEU C C 13 178.912 0.200 . 1 . . . . . 50 LEU C . 51085 1
47 . 1 . 1 14 14 LEU CA C 13 53.711 0.200 . 1 . . . . . 50 LEU CA . 51085 1
48 . 1 . 1 14 14 LEU CB C 13 44.264 0.200 . 1 . . . . . 50 LEU CB . 51085 1
49 . 1 . 1 15 15 CYS H H 1 9.119 0.017 . 1 . . . . . 51 CYS H . 51085 1
50 . 1 . 1 15 15 CYS C C 13 175.574 0.060 . 1 . . . . . 51 CYS C . 51085 1
51 . 1 . 1 15 15 CYS CA C 13 52.894 0.188 . 1 . . . . . 51 CYS CA . 51085 1
52 . 1 . 1 15 15 CYS CB C 13 43.138 0.237 . 1 . . . . . 51 CYS CB . 51085 1
53 . 1 . 1 15 15 CYS N N 15 119.536 0.132 . 1 . . . . . 51 CYS N . 51085 1
54 . 1 . 1 16 16 LYS H H 1 9.101 0.003 . 1 . . . . . 52 LYS H . 51085 1
55 . 1 . 1 16 16 LYS C C 13 177.740 0.047 . 1 . . . . . 52 LYS C . 51085 1
56 . 1 . 1 16 16 LYS CA C 13 55.084 0.141 . 1 . . . . . 52 LYS CA . 51085 1
57 . 1 . 1 16 16 LYS CB C 13 29.933 0.234 . 1 . . . . . 52 LYS CB . 51085 1
58 . 1 . 1 16 16 LYS N N 15 119.962 0.046 . 1 . . . . . 52 LYS N . 51085 1
59 . 1 . 1 17 17 PHE H H 1 8.487 0.004 . 1 . . . . . 53 PHE H . 51085 1
60 . 1 . 1 17 17 PHE C C 13 174.958 0.067 . 1 . . . . . 53 PHE C . 51085 1
61 . 1 . 1 17 17 PHE CA C 13 54.445 0.156 . 1 . . . . . 53 PHE CA . 51085 1
62 . 1 . 1 17 17 PHE CB C 13 39.519 0.198 . 1 . . . . . 53 PHE CB . 51085 1
63 . 1 . 1 17 17 PHE N N 15 127.363 0.028 . 1 . . . . . 53 PHE N . 51085 1
64 . 1 . 1 18 18 CYS H H 1 8.685 0.003 . 1 . . . . . 54 CYS H . 51085 1
65 . 1 . 1 18 18 CYS C C 13 174.928 0.200 . 1 . . . . . 54 CYS C . 51085 1
66 . 1 . 1 18 18 CYS CA C 13 61.211 0.200 . 1 . . . . . 54 CYS CA . 51085 1
67 . 1 . 1 18 18 CYS CB C 13 40.318 0.200 . 1 . . . . . 54 CYS CB . 51085 1
68 . 1 . 1 18 18 CYS N N 15 119.569 0.048 . 1 . . . . . 54 CYS N . 51085 1
69 . 1 . 1 19 19 ASP C C 13 175.067 0.200 . 1 . . . . . 55 ASP C . 51085 1
70 . 1 . 1 19 19 ASP CA C 13 58.091 0.200 . 1 . . . . . 55 ASP CA . 51085 1
71 . 1 . 1 19 19 ASP CB C 13 40.535 0.200 . 1 . . . . . 55 ASP CB . 51085 1
72 . 1 . 1 20 20 VAL H H 1 7.933 0.007 . 1 . . . . . 56 VAL H . 51085 1
73 . 1 . 1 20 20 VAL C C 13 175.980 0.054 . 1 . . . . . 56 VAL C . 51085 1
74 . 1 . 1 20 20 VAL CA C 13 64.678 0.192 . 1 . . . . . 56 VAL CA . 51085 1
75 . 1 . 1 20 20 VAL CB C 13 32.039 0.213 . 1 . . . . . 56 VAL CB . 51085 1
76 . 1 . 1 20 20 VAL N N 15 121.548 0.029 . 1 . . . . . 56 VAL N . 51085 1
77 . 1 . 1 21 21 ARG H H 1 8.645 0.005 . 1 . . . . . 57 ARG H . 51085 1
78 . 1 . 1 21 21 ARG C C 13 175.868 0.042 . 1 . . . . . 57 ARG C . 51085 1
79 . 1 . 1 21 21 ARG CA C 13 52.691 0.161 . 1 . . . . . 57 ARG CA . 51085 1
80 . 1 . 1 21 21 ARG CB C 13 34.614 0.212 . 1 . . . . . 57 ARG CB . 51085 1
81 . 1 . 1 21 21 ARG N N 15 127.413 0.039 . 1 . . . . . 57 ARG N . 51085 1
82 . 1 . 1 22 22 PHE H H 1 8.530 0.003 . 1 . . . . . 58 PHE H . 51085 1
83 . 1 . 1 22 22 PHE C C 13 176.097 0.005 . 1 . . . . . 58 PHE C . 51085 1
84 . 1 . 1 22 22 PHE CA C 13 59.395 0.173 . 1 . . . . . 58 PHE CA . 51085 1
85 . 1 . 1 22 22 PHE CB C 13 39.163 0.211 . 1 . . . . . 58 PHE CB . 51085 1
86 . 1 . 1 22 22 PHE N N 15 120.225 0.020 . 1 . . . . . 58 PHE N . 51085 1
87 . 1 . 1 23 23 SER H H 1 8.156 0.002 . 1 . . . . . 59 SER H . 51085 1
88 . 1 . 1 23 23 SER C C 13 173.262 0.042 . 1 . . . . . 59 SER C . 51085 1
89 . 1 . 1 23 23 SER CA C 13 56.375 0.158 . 1 . . . . . 59 SER CA . 51085 1
90 . 1 . 1 23 23 SER CB C 13 66.752 0.232 . 1 . . . . . 59 SER CB . 51085 1
91 . 1 . 1 23 23 SER N N 15 117.111 0.026 . 1 . . . . . 59 SER N . 51085 1
92 . 1 . 1 24 24 THR H H 1 8.237 0.006 . 1 . . . . . 60 THR H . 51085 1
93 . 1 . 1 24 24 THR C C 13 175.002 0.050 . 1 . . . . . 60 THR C . 51085 1
94 . 1 . 1 24 24 THR CA C 13 61.190 0.125 . 1 . . . . . 60 THR CA . 51085 1
95 . 1 . 1 24 24 THR CB C 13 69.092 0.149 . 1 . . . . . 60 THR CB . 51085 1
96 . 1 . 1 24 24 THR N N 15 113.273 0.047 . 1 . . . . . 60 THR N . 51085 1
97 . 1 . 1 25 25 CYS H H 1 8.550 0.005 . 1 . . . . . 61 CYS H . 51085 1
98 . 1 . 1 25 25 CYS C C 13 173.280 0.045 . 1 . . . . . 61 CYS C . 51085 1
99 . 1 . 1 25 25 CYS CA C 13 57.059 0.160 . 1 . . . . . 61 CYS CA . 51085 1
100 . 1 . 1 25 25 CYS CB C 13 40.965 0.198 . 1 . . . . . 61 CYS CB . 51085 1
101 . 1 . 1 25 25 CYS N N 15 123.050 0.029 . 1 . . . . . 61 CYS N . 51085 1
102 . 1 . 1 26 26 ASP H H 1 8.102 0.003 . 1 . . . . . 62 ASP H . 51085 1
103 . 1 . 1 26 26 ASP C C 13 174.957 0.052 . 1 . . . . . 62 ASP C . 51085 1
104 . 1 . 1 26 26 ASP CA C 13 53.683 0.163 . 1 . . . . . 62 ASP CA . 51085 1
105 . 1 . 1 26 26 ASP CB C 13 42.751 0.220 . 1 . . . . . 62 ASP CB . 51085 1
106 . 1 . 1 26 26 ASP N N 15 126.276 0.051 . 1 . . . . . 62 ASP N . 51085 1
107 . 1 . 1 27 27 ASN H H 1 7.888 0.003 . 1 . . . . . 63 ASN H . 51085 1
108 . 1 . 1 27 27 ASN C C 13 173.711 0.054 . 1 . . . . . 63 ASN C . 51085 1
109 . 1 . 1 27 27 ASN CA C 13 52.835 0.161 . 1 . . . . . 63 ASN CA . 51085 1
110 . 1 . 1 27 27 ASN CB C 13 36.919 0.217 . 1 . . . . . 63 ASN CB . 51085 1
111 . 1 . 1 27 27 ASN N N 15 118.478 0.022 . 1 . . . . . 63 ASN N . 51085 1
112 . 1 . 1 28 28 GLN H H 1 7.363 0.002 . 1 . . . . . 64 GLN H . 51085 1
113 . 1 . 1 28 28 GLN C C 13 175.228 0.051 . 1 . . . . . 64 GLN C . 51085 1
114 . 1 . 1 28 28 GLN CA C 13 55.010 0.154 . 1 . . . . . 64 GLN CA . 51085 1
115 . 1 . 1 28 28 GLN CB C 13 32.014 0.209 . 1 . . . . . 64 GLN CB . 51085 1
116 . 1 . 1 28 28 GLN N N 15 114.884 0.024 . 1 . . . . . 64 GLN N . 51085 1
117 . 1 . 1 29 29 LYS H H 1 8.457 0.002 . 1 . . . . . 65 LYS H . 51085 1
118 . 1 . 1 29 29 LYS C C 13 175.511 0.051 . 1 . . . . . 65 LYS C . 51085 1
119 . 1 . 1 29 29 LYS CA C 13 58.250 0.176 . 1 . . . . . 65 LYS CA . 51085 1
120 . 1 . 1 29 29 LYS CB C 13 32.436 0.252 . 1 . . . . . 65 LYS CB . 51085 1
121 . 1 . 1 29 29 LYS N N 15 118.697 0.010 . 1 . . . . . 65 LYS N . 51085 1
122 . 1 . 1 30 30 SER H H 1 7.749 0.002 . 1 . . . . . 66 SER H . 51085 1
123 . 1 . 1 30 30 SER C C 13 172.751 0.036 . 1 . . . . . 66 SER C . 51085 1
124 . 1 . 1 30 30 SER CA C 13 57.644 0.199 . 1 . . . . . 66 SER CA . 51085 1
125 . 1 . 1 30 30 SER CB C 13 65.404 0.175 . 1 . . . . . 66 SER CB . 51085 1
126 . 1 . 1 30 30 SER N N 15 112.867 0.011 . 1 . . . . . 66 SER N . 51085 1
127 . 1 . 1 31 31 CYS H H 1 9.234 0.004 . 1 . . . . . 67 CYS H . 51085 1
128 . 1 . 1 31 31 CYS C C 13 172.657 0.035 . 1 . . . . . 67 CYS C . 51085 1
129 . 1 . 1 31 31 CYS CA C 13 54.016 0.213 . 1 . . . . . 67 CYS CA . 51085 1
130 . 1 . 1 31 31 CYS CB C 13 47.021 0.118 . 1 . . . . . 67 CYS CB . 51085 1
131 . 1 . 1 31 31 CYS N N 15 119.196 0.017 . 1 . . . . . 67 CYS N . 51085 1
132 . 1 . 1 32 32 MET H H 1 8.421 0.003 . 1 . . . . . 68 MET H . 51085 1
133 . 1 . 1 32 32 MET C C 13 178.716 0.064 . 1 . . . . . 68 MET C . 51085 1
134 . 1 . 1 32 32 MET CA C 13 53.482 0.150 . 1 . . . . . 68 MET CA . 51085 1
135 . 1 . 1 32 32 MET CB C 13 32.194 0.200 . 1 . . . . . 68 MET CB . 51085 1
136 . 1 . 1 32 32 MET N N 15 121.359 0.045 . 1 . . . . . 68 MET N . 51085 1
137 . 1 . 1 33 33 SER H H 1 9.236 0.007 . 1 . . . . . 69 SER H . 51085 1
138 . 1 . 1 33 33 SER C C 13 176.085 0.083 . 1 . . . . . 69 SER C . 51085 1
139 . 1 . 1 33 33 SER CA C 13 62.104 0.168 . 1 . . . . . 69 SER CA . 51085 1
140 . 1 . 1 33 33 SER CB C 13 63.520 0.277 . 1 . . . . . 69 SER CB . 51085 1
141 . 1 . 1 33 33 SER N N 15 116.804 0.043 . 1 . . . . . 69 SER N . 51085 1
142 . 1 . 1 34 34 ASN H H 1 8.988 0.003 . 1 . . . . . 70 ASN H . 51085 1
143 . 1 . 1 34 34 ASN C C 13 174.159 0.050 . 1 . . . . . 70 ASN C . 51085 1
144 . 1 . 1 34 34 ASN CA C 13 54.800 0.176 . 1 . . . . . 70 ASN CA . 51085 1
145 . 1 . 1 34 34 ASN CB C 13 37.790 0.202 . 1 . . . . . 70 ASN CB . 51085 1
146 . 1 . 1 34 34 ASN N N 15 118.573 0.026 . 1 . . . . . 70 ASN N . 51085 1
147 . 1 . 1 35 35 CYS H H 1 8.145 0.004 . 1 . . . . . 71 CYS H . 51085 1
148 . 1 . 1 35 35 CYS C C 13 174.793 0.200 . 1 . . . . . 71 CYS C . 51085 1
149 . 1 . 1 35 35 CYS CA C 13 54.005 0.200 . 1 . . . . . 71 CYS CA . 51085 1
150 . 1 . 1 35 35 CYS CB C 13 37.564 0.200 . 1 . . . . . 71 CYS CB . 51085 1
151 . 1 . 1 35 35 CYS N N 15 116.433 0.008 . 1 . . . . . 71 CYS N . 51085 1
152 . 1 . 1 36 36 SER C C 13 173.023 0.037 . 1 . . . . . 72 SER C . 51085 1
153 . 1 . 1 36 36 SER CA C 13 59.206 0.164 . 1 . . . . . 72 SER CA . 51085 1
154 . 1 . 1 36 36 SER CB C 13 63.710 0.140 . 1 . . . . . 72 SER CB . 51085 1
155 . 1 . 1 37 37 ILE H H 1 7.508 0.005 . 1 . . . . . 73 ILE H . 51085 1
156 . 1 . 1 37 37 ILE C C 13 174.500 0.037 . 1 . . . . . 73 ILE C . 51085 1
157 . 1 . 1 37 37 ILE CA C 13 61.694 0.177 . 1 . . . . . 73 ILE CA . 51085 1
158 . 1 . 1 37 37 ILE CB C 13 38.896 0.230 . 1 . . . . . 73 ILE CB . 51085 1
159 . 1 . 1 37 37 ILE N N 15 123.373 0.019 . 1 . . . . . 73 ILE N . 51085 1
160 . 1 . 1 38 38 THR H H 1 8.563 0.005 . 1 . . . . . 74 THR H . 51085 1
161 . 1 . 1 38 38 THR C C 13 174.058 0.053 . 1 . . . . . 74 THR C . 51085 1
162 . 1 . 1 38 38 THR CA C 13 62.636 0.071 . 1 . . . . . 74 THR CA . 51085 1
163 . 1 . 1 38 38 THR CB C 13 70.072 0.063 . 1 . . . . . 74 THR CB . 51085 1
164 . 1 . 1 38 38 THR N N 15 126.460 0.031 . 1 . . . . . 74 THR N . 51085 1
165 . 1 . 1 39 39 SER H H 1 9.019 0.005 . 1 . . . . . 75 SER H . 51085 1
166 . 1 . 1 39 39 SER C C 13 172.896 0.200 . 1 . . . . . 75 SER C . 51085 1
167 . 1 . 1 39 39 SER CA C 13 57.324 0.200 . 1 . . . . . 75 SER CA . 51085 1
168 . 1 . 1 39 39 SER CB C 13 67.265 0.200 . 1 . . . . . 75 SER CB . 51085 1
169 . 1 . 1 39 39 SER N N 15 123.401 0.023 . 1 . . . . . 75 SER N . 51085 1
170 . 1 . 1 40 40 ILE C C 13 175.175 0.049 . 1 . . . . . 76 ILE C . 51085 1
171 . 1 . 1 40 40 ILE CA C 13 64.028 0.200 . 1 . . . . . 76 ILE CA . 51085 1
172 . 1 . 1 40 40 ILE CB C 13 34.735 0.200 . 1 . . . . . 76 ILE CB . 51085 1
173 . 1 . 1 41 41 CYS H H 1 8.017 0.003 . 1 . . . . . 77 CYS H . 51085 1
174 . 1 . 1 41 41 CYS C C 13 180.201 0.200 . 1 . . . . . 77 CYS C . 51085 1
175 . 1 . 1 41 41 CYS CA C 13 55.620 0.200 . 1 . . . . . 77 CYS CA . 51085 1
176 . 1 . 1 41 41 CYS CB C 13 42.017 0.200 . 1 . . . . . 77 CYS CB . 51085 1
177 . 1 . 1 41 41 CYS N N 15 126.190 0.032 . 1 . . . . . 77 CYS N . 51085 1
178 . 1 . 1 44 44 PRO C C 13 175.156 0.200 . 1 . . . . . 80 PRO C . 51085 1
179 . 1 . 1 44 44 PRO CA C 13 65.711 0.001 . 1 . . . . . 80 PRO CA . 51085 1
180 . 1 . 1 44 44 PRO CB C 13 32.613 0.200 . 1 . . . . . 80 PRO CB . 51085 1
181 . 1 . 1 45 45 GLN H H 1 8.518 0.002 . 1 . . . . . 81 GLN H . 51085 1
182 . 1 . 1 45 45 GLN C C 13 176.632 0.041 . 1 . . . . . 81 GLN C . 51085 1
183 . 1 . 1 45 45 GLN CA C 13 57.221 0.124 . 1 . . . . . 81 GLN CA . 51085 1
184 . 1 . 1 45 45 GLN CB C 13 28.379 0.211 . 1 . . . . . 81 GLN CB . 51085 1
185 . 1 . 1 45 45 GLN N N 15 112.324 0.076 . 1 . . . . . 81 GLN N . 51085 1
186 . 1 . 1 46 46 GLU H H 1 7.188 0.003 . 1 . . . . . 82 GLU H . 51085 1
187 . 1 . 1 46 46 GLU C C 13 175.916 0.038 . 1 . . . . . 82 GLU C . 51085 1
188 . 1 . 1 46 46 GLU CA C 13 58.327 0.130 . 1 . . . . . 82 GLU CA . 51085 1
189 . 1 . 1 46 46 GLU CB C 13 30.888 0.224 . 1 . . . . . 82 GLU CB . 51085 1
190 . 1 . 1 46 46 GLU N N 15 116.372 0.035 . 1 . . . . . 82 GLU N . 51085 1
191 . 1 . 1 47 47 VAL H H 1 8.592 0.003 . 1 . . . . . 83 VAL H . 51085 1
192 . 1 . 1 47 47 VAL C C 13 174.588 0.200 . 1 . . . . . 83 VAL C . 51085 1
193 . 1 . 1 47 47 VAL CA C 13 58.619 0.200 . 1 . . . . . 83 VAL CA . 51085 1
194 . 1 . 1 47 47 VAL CB C 13 33.127 0.200 . 1 . . . . . 83 VAL CB . 51085 1
195 . 1 . 1 47 47 VAL N N 15 113.330 0.030 . 1 . . . . . 83 VAL N . 51085 1
196 . 1 . 1 48 48 CYS C C 13 174.949 0.045 . 1 . . . . . 84 CYS C . 51085 1
197 . 1 . 1 48 48 CYS CA C 13 53.207 0.153 . 1 . . . . . 84 CYS CA . 51085 1
198 . 1 . 1 48 48 CYS CB C 13 35.876 0.230 . 1 . . . . . 84 CYS CB . 51085 1
199 . 1 . 1 49 49 VAL H H 1 8.575 0.002 . 1 . . . . . 85 VAL H . 51085 1
200 . 1 . 1 49 49 VAL C C 13 176.255 0.200 . 1 . . . . . 85 VAL C . 51085 1
201 . 1 . 1 49 49 VAL CA C 13 60.665 0.200 . 1 . . . . . 85 VAL CA . 51085 1
202 . 1 . 1 49 49 VAL CB C 13 36.568 0.200 . 1 . . . . . 85 VAL CB . 51085 1
203 . 1 . 1 49 49 VAL N N 15 118.736 0.022 . 1 . . . . . 85 VAL N . 51085 1
204 . 1 . 1 50 50 ALA C C 13 175.817 0.200 . 1 . . . . . 86 ALA C . 51085 1
205 . 1 . 1 50 50 ALA CA C 13 51.295 0.160 . 1 . . . . . 86 ALA CA . 51085 1
206 . 1 . 1 50 50 ALA CB C 13 23.189 0.214 . 1 . . . . . 86 ALA CB . 51085 1
207 . 1 . 1 51 51 VAL H H 1 8.978 0.005 . 1 . . . . . 87 VAL H . 51085 1
208 . 1 . 1 51 51 VAL C C 13 174.813 0.200 . 1 . . . . . 87 VAL C . 51085 1
209 . 1 . 1 51 51 VAL CA C 13 60.964 0.200 . 1 . . . . . 87 VAL CA . 51085 1
210 . 1 . 1 51 51 VAL CB C 13 35.483 0.200 . 1 . . . . . 87 VAL CB . 51085 1
211 . 1 . 1 51 51 VAL N N 15 120.078 0.036 . 1 . . . . . 87 VAL N . 51085 1
212 . 1 . 1 52 52 TRP C C 13 174.110 0.052 . 1 . . . . . 88 TRP C . 51085 1
213 . 1 . 1 52 52 TRP CA C 13 57.294 0.184 . 1 . . . . . 88 TRP CA . 51085 1
214 . 1 . 1 52 52 TRP CB C 13 34.365 0.251 . 1 . . . . . 88 TRP CB . 51085 1
215 . 1 . 1 53 53 ARG H H 1 8.320 0.003 . 1 . . . . . 89 ARG H . 51085 1
216 . 1 . 1 53 53 ARG C C 13 173.057 0.039 . 1 . . . . . 89 ARG C . 51085 1
217 . 1 . 1 53 53 ARG CA C 13 54.974 0.142 . 1 . . . . . 89 ARG CA . 51085 1
218 . 1 . 1 53 53 ARG CB C 13 35.303 0.184 . 1 . . . . . 89 ARG CB . 51085 1
219 . 1 . 1 53 53 ARG N N 15 125.628 0.028 . 1 . . . . . 89 ARG N . 51085 1
220 . 1 . 1 54 54 LYS H H 1 8.457 0.003 . 1 . . . . . 90 LYS H . 51085 1
221 . 1 . 1 54 54 LYS C C 13 175.123 0.049 . 1 . . . . . 90 LYS C . 51085 1
222 . 1 . 1 54 54 LYS CA C 13 55.167 0.183 . 1 . . . . . 90 LYS CA . 51085 1
223 . 1 . 1 54 54 LYS CB C 13 36.101 0.195 . 1 . . . . . 90 LYS CB . 51085 1
224 . 1 . 1 54 54 LYS N N 15 122.544 0.012 . 1 . . . . . 90 LYS N . 51085 1
225 . 1 . 1 55 55 ASN H H 1 8.380 0.002 . 1 . . . . . 91 ASN H . 51085 1
226 . 1 . 1 55 55 ASN C C 13 174.299 0.039 . 1 . . . . . 91 ASN C . 51085 1
227 . 1 . 1 55 55 ASN CA C 13 52.197 0.198 . 1 . . . . . 91 ASN CA . 51085 1
228 . 1 . 1 55 55 ASN CB C 13 40.286 0.197 . 1 . . . . . 91 ASN CB . 51085 1
229 . 1 . 1 55 55 ASN N N 15 125.825 0.009 . 1 . . . . . 91 ASN N . 51085 1
230 . 1 . 1 56 56 ASP H H 1 8.755 0.002 . 1 . . . . . 92 ASP H . 51085 1
231 . 1 . 1 56 56 ASP C C 13 175.708 0.050 . 1 . . . . . 92 ASP C . 51085 1
232 . 1 . 1 56 56 ASP CA C 13 57.042 0.147 . 1 . . . . . 92 ASP CA . 51085 1
233 . 1 . 1 56 56 ASP CB C 13 40.048 0.168 . 1 . . . . . 92 ASP CB . 51085 1
234 . 1 . 1 56 56 ASP N N 15 121.035 0.017 . 1 . . . . . 92 ASP N . 51085 1
235 . 1 . 1 57 57 GLU H H 1 8.448 0.002 . 1 . . . . . 93 GLU H . 51085 1
236 . 1 . 1 57 57 GLU C C 13 176.025 0.009 . 1 . . . . . 93 GLU C . 51085 1
237 . 1 . 1 57 57 GLU CA C 13 57.487 0.196 . 1 . . . . . 93 GLU CA . 51085 1
238 . 1 . 1 57 57 GLU CB C 13 30.827 0.177 . 1 . . . . . 93 GLU CB . 51085 1
239 . 1 . 1 57 57 GLU N N 15 117.237 0.008 . 1 . . . . . 93 GLU N . 51085 1
240 . 1 . 1 58 58 ASN H H 1 8.210 0.003 . 1 . . . . . 94 ASN H . 51085 1
241 . 1 . 1 58 58 ASN C C 13 173.125 0.041 . 1 . . . . . 94 ASN C . 51085 1
242 . 1 . 1 58 58 ASN CA C 13 53.386 0.145 . 1 . . . . . 94 ASN CA . 51085 1
243 . 1 . 1 58 58 ASN CB C 13 41.369 0.188 . 1 . . . . . 94 ASN CB . 51085 1
244 . 1 . 1 58 58 ASN N N 15 117.393 0.030 . 1 . . . . . 94 ASN N . 51085 1
245 . 1 . 1 59 59 ILE H H 1 8.265 0.002 . 1 . . . . . 95 ILE H . 51085 1
246 . 1 . 1 59 59 ILE C C 13 176.447 0.046 . 1 . . . . . 95 ILE C . 51085 1
247 . 1 . 1 59 59 ILE CA C 13 61.033 0.147 . 1 . . . . . 95 ILE CA . 51085 1
248 . 1 . 1 59 59 ILE CB C 13 39.680 0.182 . 1 . . . . . 95 ILE CB . 51085 1
249 . 1 . 1 59 59 ILE N N 15 124.107 0.012 . 1 . . . . . 95 ILE N . 51085 1
250 . 1 . 1 60 60 THR H H 1 8.695 0.002 . 1 . . . . . 96 THR H . 51085 1
251 . 1 . 1 60 60 THR C C 13 172.090 0.050 . 1 . . . . . 96 THR C . 51085 1
252 . 1 . 1 60 60 THR CA C 13 58.739 0.147 . 1 . . . . . 96 THR CA . 51085 1
253 . 1 . 1 60 60 THR CB C 13 73.107 0.177 . 1 . . . . . 96 THR CB . 51085 1
254 . 1 . 1 60 60 THR N N 15 115.805 0.025 . 1 . . . . . 96 THR N . 51085 1
255 . 1 . 1 61 61 LEU H H 1 9.134 0.003 . 1 . . . . . 97 LEU H . 51085 1
256 . 1 . 1 61 61 LEU C C 13 174.715 0.040 . 1 . . . . . 97 LEU C . 51085 1
257 . 1 . 1 61 61 LEU CA C 13 53.494 0.173 . 1 . . . . . 97 LEU CA . 51085 1
258 . 1 . 1 61 61 LEU CB C 13 47.063 0.202 . 1 . . . . . 97 LEU CB . 51085 1
259 . 1 . 1 61 61 LEU N N 15 120.659 0.016 . 1 . . . . . 97 LEU N . 51085 1
260 . 1 . 1 62 62 GLU H H 1 9.703 0.006 . 1 . . . . . 98 GLU H . 51085 1
261 . 1 . 1 62 62 GLU C C 13 176.060 0.044 . 1 . . . . . 98 GLU C . 51085 1
262 . 1 . 1 62 62 GLU CA C 13 53.235 0.067 . 1 . . . . . 98 GLU CA . 51085 1
263 . 1 . 1 62 62 GLU CB C 13 33.178 0.166 . 1 . . . . . 98 GLU CB . 51085 1
264 . 1 . 1 62 62 GLU N N 15 131.475 0.033 . 1 . . . . . 98 GLU N . 51085 1
265 . 1 . 1 63 63 THR H H 1 8.097 0.006 . 1 . . . . . 99 THR H . 51085 1
266 . 1 . 1 63 63 THR C C 13 174.097 0.045 . 1 . . . . . 99 THR C . 51085 1
267 . 1 . 1 63 63 THR CA C 13 58.321 0.104 . 1 . . . . . 99 THR CA . 51085 1
268 . 1 . 1 63 63 THR CB C 13 70.920 0.148 . 1 . . . . . 99 THR CB . 51085 1
269 . 1 . 1 63 63 THR N N 15 116.106 0.045 . 1 . . . . . 99 THR N . 51085 1
270 . 1 . 1 64 64 VAL H H 1 7.503 0.005 . 1 . . . . . 100 VAL H . 51085 1
271 . 1 . 1 64 64 VAL C C 13 175.695 0.200 . 1 . . . . . 100 VAL C . 51085 1
272 . 1 . 1 64 64 VAL CA C 13 59.209 0.200 . 1 . . . . . 100 VAL CA . 51085 1
273 . 1 . 1 64 64 VAL CB C 13 38.070 0.200 . 1 . . . . . 100 VAL CB . 51085 1
274 . 1 . 1 64 64 VAL N N 15 112.461 0.043 . 1 . . . . . 100 VAL N . 51085 1
275 . 1 . 1 65 65 CYS C C 13 175.382 0.200 . 1 . . . . . 101 CYS C . 51085 1
276 . 1 . 1 65 65 CYS CA C 13 57.792 0.214 . 1 . . . . . 101 CYS CA . 51085 1
277 . 1 . 1 65 65 CYS CB C 13 48.216 0.285 . 1 . . . . . 101 CYS CB . 51085 1
278 . 1 . 1 66 66 HIS H H 1 9.413 0.006 . 1 . . . . . 102 HIS H . 51085 1
279 . 1 . 1 66 66 HIS C C 13 172.821 0.035 . 1 . . . . . 102 HIS C . 51085 1
280 . 1 . 1 66 66 HIS CA C 13 56.701 0.121 . 1 . . . . . 102 HIS CA . 51085 1
281 . 1 . 1 66 66 HIS CB C 13 34.238 0.210 . 1 . . . . . 102 HIS CB . 51085 1
282 . 1 . 1 66 66 HIS N N 15 118.417 0.036 . 1 . . . . . 102 HIS N . 51085 1
283 . 1 . 1 67 67 ASP H H 1 7.922 0.004 . 1 . . . . . 103 ASP H . 51085 1
284 . 1 . 1 67 67 ASP C C 13 174.092 0.200 . 1 . . . . . 103 ASP C . 51085 1
285 . 1 . 1 67 67 ASP CA C 13 51.508 0.200 . 1 . . . . . 103 ASP CA . 51085 1
286 . 1 . 1 67 67 ASP CB C 13 41.514 0.200 . 1 . . . . . 103 ASP CB . 51085 1
287 . 1 . 1 67 67 ASP N N 15 128.822 0.043 . 1 . . . . . 103 ASP N . 51085 1
288 . 1 . 1 68 68 PRO C C 13 177.376 0.047 . 1 . . . . . 104 PRO C . 51085 1
289 . 1 . 1 68 68 PRO CA C 13 64.632 0.177 . 1 . . . . . 104 PRO CA . 51085 1
290 . 1 . 1 68 68 PRO CB C 13 32.294 0.200 . 1 . . . . . 104 PRO CB . 51085 1
291 . 1 . 1 69 69 LYS H H 1 8.477 0.002 . 1 . . . . . 105 LYS H . 51085 1
292 . 1 . 1 69 69 LYS C C 13 176.441 0.042 . 1 . . . . . 105 LYS C . 51085 1
293 . 1 . 1 69 69 LYS CA C 13 57.927 0.229 . 1 . . . . . 105 LYS CA . 51085 1
294 . 1 . 1 69 69 LYS CB C 13 32.310 0.251 . 1 . . . . . 105 LYS CB . 51085 1
295 . 1 . 1 69 69 LYS N N 15 122.099 0.014 . 1 . . . . . 105 LYS N . 51085 1
296 . 1 . 1 70 70 LEU H H 1 8.103 0.003 . 1 . . . . . 106 LEU H . 51085 1
297 . 1 . 1 70 70 LEU C C 13 176.202 0.200 . 1 . . . . . 106 LEU C . 51085 1
298 . 1 . 1 70 70 LEU CA C 13 51.683 0.200 . 1 . . . . . 106 LEU CA . 51085 1
299 . 1 . 1 70 70 LEU CB C 13 42.654 0.200 . 1 . . . . . 106 LEU CB . 51085 1
300 . 1 . 1 70 70 LEU N N 15 120.184 0.015 . 1 . . . . . 106 LEU N . 51085 1
301 . 1 . 1 71 71 PRO C C 13 175.462 0.200 . 1 . . . . . 107 PRO C . 51085 1
302 . 1 . 1 71 71 PRO CA C 13 63.329 0.218 . 1 . . . . . 107 PRO CA . 51085 1
303 . 1 . 1 71 71 PRO CB C 13 32.519 0.238 . 1 . . . . . 107 PRO CB . 51085 1
304 . 1 . 1 72 72 TYR H H 1 9.404 0.005 . 1 . . . . . 108 TYR H . 51085 1
305 . 1 . 1 72 72 TYR C C 13 175.291 0.044 . 1 . . . . . 108 TYR C . 51085 1
306 . 1 . 1 72 72 TYR CA C 13 58.590 0.117 . 1 . . . . . 108 TYR CA . 51085 1
307 . 1 . 1 72 72 TYR CB C 13 41.421 0.228 . 1 . . . . . 108 TYR CB . 51085 1
308 . 1 . 1 72 72 TYR N N 15 122.894 0.037 . 1 . . . . . 108 TYR N . 51085 1
309 . 1 . 1 73 73 HIS H H 1 8.548 0.004 . 1 . . . . . 109 HIS H . 51085 1
310 . 1 . 1 73 73 HIS C C 13 173.370 0.079 . 1 . . . . . 109 HIS C . 51085 1
311 . 1 . 1 73 73 HIS CA C 13 57.475 0.239 . 1 . . . . . 109 HIS CA . 51085 1
312 . 1 . 1 73 73 HIS CB C 13 27.211 0.218 . 1 . . . . . 109 HIS CB . 51085 1
313 . 1 . 1 73 73 HIS N N 15 123.047 0.020 . 1 . . . . . 109 HIS N . 51085 1
314 . 1 . 1 74 74 ASP H H 1 8.220 0.004 . 1 . . . . . 110 ASP H . 51085 1
315 . 1 . 1 74 74 ASP C C 13 174.681 0.043 . 1 . . . . . 110 ASP C . 51085 1
316 . 1 . 1 74 74 ASP CA C 13 56.832 0.090 . 1 . . . . . 110 ASP CA . 51085 1
317 . 1 . 1 74 74 ASP CB C 13 39.964 0.211 . 1 . . . . . 110 ASP CB . 51085 1
318 . 1 . 1 74 74 ASP N N 15 105.478 0.012 . 1 . . . . . 110 ASP N . 51085 1
319 . 1 . 1 75 75 PHE H H 1 7.865 0.003 . 1 . . . . . 111 PHE H . 51085 1
320 . 1 . 1 75 75 PHE C C 13 174.770 0.044 . 1 . . . . . 111 PHE C . 51085 1
321 . 1 . 1 75 75 PHE CA C 13 57.634 0.193 . 1 . . . . . 111 PHE CA . 51085 1
322 . 1 . 1 75 75 PHE CB C 13 42.137 0.203 . 1 . . . . . 111 PHE CB . 51085 1
323 . 1 . 1 75 75 PHE N N 15 118.618 0.008 . 1 . . . . . 111 PHE N . 51085 1
324 . 1 . 1 76 76 ILE H H 1 8.517 0.002 . 1 . . . . . 112 ILE H . 51085 1
325 . 1 . 1 76 76 ILE C C 13 177.377 0.047 . 1 . . . . . 112 ILE C . 51085 1
326 . 1 . 1 76 76 ILE CA C 13 59.631 0.192 . 1 . . . . . 112 ILE CA . 51085 1
327 . 1 . 1 76 76 ILE CB C 13 38.046 0.142 . 1 . . . . . 112 ILE CB . 51085 1
328 . 1 . 1 76 76 ILE N N 15 121.263 0.014 . 1 . . . . . 112 ILE N . 51085 1
329 . 1 . 1 77 77 LEU H H 1 9.493 0.002 . 1 . . . . . 113 LEU H . 51085 1
330 . 1 . 1 77 77 LEU C C 13 176.864 0.053 . 1 . . . . . 113 LEU C . 51085 1
331 . 1 . 1 77 77 LEU CA C 13 54.451 0.142 . 1 . . . . . 113 LEU CA . 51085 1
332 . 1 . 1 77 77 LEU CB C 13 39.489 0.191 . 1 . . . . . 113 LEU CB . 51085 1
333 . 1 . 1 77 77 LEU N N 15 129.494 0.031 . 1 . . . . . 113 LEU N . 51085 1
334 . 1 . 1 78 78 GLU H H 1 8.474 0.002 . 1 . . . . . 114 GLU H . 51085 1
335 . 1 . 1 78 78 GLU C C 13 176.365 0.040 . 1 . . . . . 114 GLU C . 51085 1
336 . 1 . 1 78 78 GLU CA C 13 57.536 0.179 . 1 . . . . . 114 GLU CA . 51085 1
337 . 1 . 1 78 78 GLU CB C 13 30.639 0.261 . 1 . . . . . 114 GLU CB . 51085 1
338 . 1 . 1 78 78 GLU N N 15 123.915 0.018 . 1 . . . . . 114 GLU N . 51085 1
339 . 1 . 1 79 79 ASP H H 1 9.309 0.005 . 1 . . . . . 115 ASP H . 51085 1
340 . 1 . 1 79 79 ASP C C 13 175.104 0.049 . 1 . . . . . 115 ASP C . 51085 1
341 . 1 . 1 79 79 ASP CA C 13 53.303 0.139 . 1 . . . . . 115 ASP CA . 51085 1
342 . 1 . 1 79 79 ASP CB C 13 40.101 0.222 . 1 . . . . . 115 ASP CB . 51085 1
343 . 1 . 1 79 79 ASP N N 15 118.199 0.013 . 1 . . . . . 115 ASP N . 51085 1
344 . 1 . 1 80 80 ALA H H 1 7.032 0.002 . 1 . . . . . 116 ALA H . 51085 1
345 . 1 . 1 80 80 ALA C C 13 177.510 0.042 . 1 . . . . . 116 ALA C . 51085 1
346 . 1 . 1 80 80 ALA CA C 13 55.538 0.308 . 1 . . . . . 116 ALA CA . 51085 1
347 . 1 . 1 80 80 ALA CB C 13 19.728 0.186 . 1 . . . . . 116 ALA CB . 51085 1
348 . 1 . 1 80 80 ALA N N 15 119.991 0.009 . 1 . . . . . 116 ALA N . 51085 1
349 . 1 . 1 81 81 ALA H H 1 8.116 0.002 . 1 . . . . . 117 ALA H . 51085 1
350 . 1 . 1 81 81 ALA C C 13 178.263 0.048 . 1 . . . . . 117 ALA C . 51085 1
351 . 1 . 1 81 81 ALA CA C 13 52.697 0.167 . 1 . . . . . 117 ALA CA . 51085 1
352 . 1 . 1 81 81 ALA CB C 13 18.866 0.226 . 1 . . . . . 117 ALA CB . 51085 1
353 . 1 . 1 81 81 ALA N N 15 116.743 0.019 . 1 . . . . . 117 ALA N . 51085 1
354 . 1 . 1 82 82 SER H H 1 8.405 0.002 . 1 . . . . . 118 SER H . 51085 1
355 . 1 . 1 82 82 SER C C 13 174.621 0.200 . 1 . . . . . 118 SER C . 51085 1
356 . 1 . 1 82 82 SER CA C 13 56.631 0.200 . 1 . . . . . 118 SER CA . 51085 1
357 . 1 . 1 82 82 SER CB C 13 65.089 0.200 . 1 . . . . . 118 SER CB . 51085 1
358 . 1 . 1 82 82 SER N N 15 116.779 0.018 . 1 . . . . . 118 SER N . 51085 1
359 . 1 . 1 83 83 PRO C C 13 176.805 0.200 . 1 . . . . . 119 PRO C . 51085 1
360 . 1 . 1 83 83 PRO CA C 13 65.144 0.200 . 1 . . . . . 119 PRO CA . 51085 1
361 . 1 . 1 83 83 PRO CB C 13 32.600 0.200 . 1 . . . . . 119 PRO CB . 51085 1
362 . 1 . 1 84 84 LYS H H 1 7.405 0.002 . 1 . . . . . 120 LYS H . 51085 1
363 . 1 . 1 84 84 LYS C C 13 174.276 0.200 . 1 . . . . . 120 LYS C . 51085 1
364 . 1 . 1 84 84 LYS CA C 13 54.085 0.200 . 1 . . . . . 120 LYS CA . 51085 1
365 . 1 . 1 84 84 LYS CB C 13 36.055 0.200 . 1 . . . . . 120 LYS CB . 51085 1
366 . 1 . 1 84 84 LYS N N 15 114.920 0.009 . 1 . . . . . 120 LYS N . 51085 1
367 . 1 . 1 88 88 LYS CA C 13 54.582 0.158 . 1 . . . . . 124 LYS CA . 51085 1
368 . 1 . 1 88 88 LYS CB C 13 35.403 0.133 . 1 . . . . . 124 LYS CB . 51085 1
369 . 1 . 1 89 89 GLU H H 1 8.618 0.003 . 1 . . . . . 125 GLU H . 51085 1
370 . 1 . 1 89 89 GLU C C 13 175.726 0.050 . 1 . . . . . 125 GLU C . 51085 1
371 . 1 . 1 89 89 GLU CA C 13 57.117 0.168 . 1 . . . . . 125 GLU CA . 51085 1
372 . 1 . 1 89 89 GLU CB C 13 30.339 0.229 . 1 . . . . . 125 GLU CB . 51085 1
373 . 1 . 1 89 89 GLU N N 15 125.134 0.036 . 1 . . . . . 125 GLU N . 51085 1
374 . 1 . 1 90 90 LYS H H 1 8.657 0.003 . 1 . . . . . 126 LYS H . 51085 1
375 . 1 . 1 90 90 LYS C C 13 174.705 0.040 . 1 . . . . . 126 LYS C . 51085 1
376 . 1 . 1 90 90 LYS CA C 13 52.454 0.182 . 1 . . . . . 126 LYS CA . 51085 1
377 . 1 . 1 90 90 LYS CB C 13 32.339 0.195 . 1 . . . . . 126 LYS CB . 51085 1
378 . 1 . 1 90 90 LYS N N 15 126.521 0.027 . 1 . . . . . 126 LYS N . 51085 1
379 . 1 . 1 91 91 LYS H H 1 8.145 0.002 . 1 . . . . . 127 LYS H . 51085 1
380 . 1 . 1 91 91 LYS C C 13 175.259 0.052 . 1 . . . . . 127 LYS C . 51085 1
381 . 1 . 1 91 91 LYS CA C 13 56.086 0.155 . 1 . . . . . 127 LYS CA . 51085 1
382 . 1 . 1 91 91 LYS CB C 13 33.792 0.211 . 1 . . . . . 127 LYS CB . 51085 1
383 . 1 . 1 91 91 LYS N N 15 121.178 0.009 . 1 . . . . . 127 LYS N . 51085 1
384 . 1 . 1 92 92 LYS H H 1 8.892 0.003 . 1 . . . . . 128 LYS H . 51085 1
385 . 1 . 1 92 92 LYS C C 13 173.290 0.200 . 1 . . . . . 128 LYS C . 51085 1
386 . 1 . 1 92 92 LYS CA C 13 53.569 0.200 . 1 . . . . . 128 LYS CA . 51085 1
387 . 1 . 1 92 92 LYS CB C 13 34.561 0.200 . 1 . . . . . 128 LYS CB . 51085 1
388 . 1 . 1 92 92 LYS N N 15 126.012 0.010 . 1 . . . . . 128 LYS N . 51085 1
389 . 1 . 1 93 93 PRO C C 13 178.081 0.046 . 1 . . . . . 129 PRO C . 51085 1
390 . 1 . 1 93 93 PRO CA C 13 65.010 0.229 . 1 . . . . . 129 PRO CA . 51085 1
391 . 1 . 1 93 93 PRO CB C 13 31.592 0.272 . 1 . . . . . 129 PRO CB . 51085 1
392 . 1 . 1 94 94 GLY H H 1 8.713 0.003 . 1 . . . . . 130 GLY H . 51085 1
393 . 1 . 1 94 94 GLY C C 13 173.753 0.051 . 1 . . . . . 130 GLY C . 51085 1
394 . 1 . 1 94 94 GLY CA C 13 45.988 0.002 . 1 . . . . . 130 GLY CA . 51085 1
395 . 1 . 1 94 94 GLY N N 15 111.696 0.015 . 1 . . . . . 130 GLY N . 51085 1
396 . 1 . 1 95 95 GLU H H 1 8.019 0.002 . 1 . . . . . 131 GLU H . 51085 1
397 . 1 . 1 95 95 GLU C C 13 174.049 0.046 . 1 . . . . . 131 GLU C . 51085 1
398 . 1 . 1 95 95 GLU CA C 13 56.179 0.182 . 1 . . . . . 131 GLU CA . 51085 1
399 . 1 . 1 95 95 GLU CB C 13 33.559 0.194 . 1 . . . . . 131 GLU CB . 51085 1
400 . 1 . 1 95 95 GLU N N 15 118.351 0.012 . 1 . . . . . 131 GLU N . 51085 1
401 . 1 . 1 96 96 THR H H 1 8.591 0.003 . 1 . . . . . 132 THR H . 51085 1
402 . 1 . 1 96 96 THR C C 13 173.199 0.042 . 1 . . . . . 132 THR C . 51085 1
403 . 1 . 1 96 96 THR CA C 13 62.529 0.146 . 1 . . . . . 132 THR CA . 51085 1
404 . 1 . 1 96 96 THR CB C 13 70.650 0.155 . 1 . . . . . 132 THR CB . 51085 1
405 . 1 . 1 96 96 THR N N 15 118.590 0.005 . 1 . . . . . 132 THR N . 51085 1
406 . 1 . 1 97 97 PHE H H 1 9.159 0.003 . 1 . . . . . 133 PHE H . 51085 1
407 . 1 . 1 97 97 PHE C C 13 172.306 0.006 . 1 . . . . . 133 PHE C . 51085 1
408 . 1 . 1 97 97 PHE CA C 13 57.065 0.171 . 1 . . . . . 133 PHE CA . 51085 1
409 . 1 . 1 97 97 PHE CB C 13 42.047 0.182 . 1 . . . . . 133 PHE CB . 51085 1
410 . 1 . 1 97 97 PHE N N 15 127.255 0.030 . 1 . . . . . 133 PHE N . 51085 1
411 . 1 . 1 98 98 PHE H H 1 9.669 0.007 . 1 . . . . . 134 PHE H . 51085 1
412 . 1 . 1 98 98 PHE C C 13 174.043 0.200 . 1 . . . . . 134 PHE C . 51085 1
413 . 1 . 1 98 98 PHE CA C 13 56.539 0.200 . 1 . . . . . 134 PHE CA . 51085 1
414 . 1 . 1 98 98 PHE CB C 13 44.001 0.200 . 1 . . . . . 134 PHE CB . 51085 1
415 . 1 . 1 98 98 PHE N N 15 123.698 0.033 . 1 . . . . . 134 PHE N . 51085 1
416 . 1 . 1 101 101 SER C C 13 171.489 0.200 . 1 . . . . . 137 SER C . 51085 1
417 . 1 . 1 101 101 SER CA C 13 57.953 0.200 . 1 . . . . . 137 SER CA . 51085 1
418 . 1 . 1 101 101 SER CB C 13 68.988 0.200 . 1 . . . . . 137 SER CB . 51085 1
419 . 1 . 1 102 102 CYS H H 1 8.737 0.002 . 1 . . . . . 138 CYS H . 51085 1
420 . 1 . 1 102 102 CYS C C 13 174.797 0.047 . 1 . . . . . 138 CYS C . 51085 1
421 . 1 . 1 102 102 CYS CA C 13 54.882 0.174 . 1 . . . . . 138 CYS CA . 51085 1
422 . 1 . 1 102 102 CYS CB C 13 46.565 0.247 . 1 . . . . . 138 CYS CB . 51085 1
423 . 1 . 1 102 102 CYS N N 15 110.311 0.034 . 1 . . . . . 138 CYS N . 51085 1
424 . 1 . 1 103 103 SER H H 1 8.762 0.006 . 1 . . . . . 139 SER H . 51085 1
425 . 1 . 1 103 103 SER C C 13 174.459 0.200 . 1 . . . . . 139 SER C . 51085 1
426 . 1 . 1 103 103 SER CA C 13 57.451 0.200 . 1 . . . . . 139 SER CA . 51085 1
427 . 1 . 1 103 103 SER CB C 13 63.752 0.171 . 1 . . . . . 139 SER CB . 51085 1
428 . 1 . 1 103 103 SER N N 15 113.422 0.036 . 1 . . . . . 139 SER N . 51085 1
429 . 1 . 1 104 104 SER H H 1 7.495 0.002 . 1 . . . . . 140 SER H . 51085 1
430 . 1 . 1 104 104 SER C C 13 174.368 0.038 . 1 . . . . . 140 SER C . 51085 1
431 . 1 . 1 104 104 SER CA C 13 57.926 0.034 . 1 . . . . . 140 SER CA . 51085 1
432 . 1 . 1 104 104 SER CB C 13 66.404 0.018 . 1 . . . . . 140 SER CB . 51085 1
433 . 1 . 1 104 104 SER N N 15 114.773 0.011 . 1 . . . . . 140 SER N . 51085 1
434 . 1 . 1 105 105 ASP H H 1 8.811 0.004 . 1 . . . . . 141 ASP H . 51085 1
435 . 1 . 1 105 105 ASP C C 13 177.577 0.006 . 1 . . . . . 141 ASP C . 51085 1
436 . 1 . 1 105 105 ASP CA C 13 56.828 0.017 . 1 . . . . . 141 ASP CA . 51085 1
437 . 1 . 1 105 105 ASP CB C 13 40.850 0.047 . 1 . . . . . 141 ASP CB . 51085 1
438 . 1 . 1 105 105 ASP N N 15 123.809 0.026 . 1 . . . . . 141 ASP N . 51085 1
439 . 1 . 1 106 106 GLU H H 1 9.633 0.007 . 1 . . . . . 142 GLU H . 51085 1
440 . 1 . 1 106 106 GLU C C 13 177.085 0.200 . 1 . . . . . 142 GLU C . 51085 1
441 . 1 . 1 106 106 GLU CA C 13 58.610 0.200 . 1 . . . . . 142 GLU CA . 51085 1
442 . 1 . 1 106 106 GLU CB C 13 28.191 0.200 . 1 . . . . . 142 GLU CB . 51085 1
443 . 1 . 1 106 106 GLU N N 15 114.054 0.035 . 1 . . . . . 142 GLU N . 51085 1
444 . 1 . 1 107 107 CYS C C 13 174.131 0.200 . 1 . . . . . 143 CYS C . 51085 1
445 . 1 . 1 107 107 CYS CA C 13 59.458 0.200 . 1 . . . . . 143 CYS CA . 51085 1
446 . 1 . 1 107 107 CYS CB C 13 47.373 0.200 . 1 . . . . . 143 CYS CB . 51085 1
447 . 1 . 1 108 108 ASN H H 1 8.065 0.003 . 1 . . . . . 144 ASN H . 51085 1
448 . 1 . 1 108 108 ASN C C 13 170.808 0.048 . 1 . . . . . 144 ASN C . 51085 1
449 . 1 . 1 108 108 ASN CA C 13 52.564 0.234 . 1 . . . . . 144 ASN CA . 51085 1
450 . 1 . 1 108 108 ASN CB C 13 36.426 0.230 . 1 . . . . . 144 ASN CB . 51085 1
451 . 1 . 1 108 108 ASN N N 15 116.658 0.021 . 1 . . . . . 144 ASN N . 51085 1
452 . 1 . 1 109 109 ASP H H 1 7.459 0.003 . 1 . . . . . 145 ASP H . 51085 1
453 . 1 . 1 109 109 ASP C C 13 174.921 0.050 . 1 . . . . . 145 ASP C . 51085 1
454 . 1 . 1 109 109 ASP CA C 13 55.280 0.135 . 1 . . . . . 145 ASP CA . 51085 1
455 . 1 . 1 109 109 ASP CB C 13 43.946 0.214 . 1 . . . . . 145 ASP CB . 51085 1
456 . 1 . 1 109 109 ASP N N 15 111.420 0.026 . 1 . . . . . 145 ASP N . 51085 1
457 . 1 . 1 110 110 ASN H H 1 7.174 0.002 . 1 . . . . . 146 ASN H . 51085 1
458 . 1 . 1 110 110 ASN HD21 H 1 7.560 0.003 . 1 . . . . . 146 ASN HD21 . 51085 1
459 . 1 . 1 110 110 ASN HD22 H 1 6.848 0.003 . 1 . . . . . 146 ASN HD22 . 51085 1
460 . 1 . 1 110 110 ASN C C 13 172.927 0.200 . 1 . . . . . 146 ASN C . 51085 1
461 . 1 . 1 110 110 ASN CA C 13 51.985 0.030 . 1 . . . . . 146 ASN CA . 51085 1
462 . 1 . 1 110 110 ASN CB C 13 39.580 0.053 . 1 . . . . . 146 ASN CB . 51085 1
463 . 1 . 1 110 110 ASN CG C 13 177.013 0.007 . 1 . . . . . 146 ASN CG . 51085 1
464 . 1 . 1 110 110 ASN N N 15 114.995 0.018 . 1 . . . . . 146 ASN N . 51085 1
465 . 1 . 1 110 110 ASN ND2 N 15 112.564 0.098 . 1 . . . . . 146 ASN ND2 . 51085 1
466 . 1 . 1 112 112 ILE C C 13 174.945 0.053 . 1 . . . . . 148 ILE C . 51085 1
467 . 1 . 1 112 112 ILE CA C 13 61.355 0.200 . 1 . . . . . 148 ILE CA . 51085 1
468 . 1 . 1 113 113 PHE H H 1 8.636 0.002 . 1 . . . . . 149 PHE H . 51085 1
469 . 1 . 1 113 113 PHE C C 13 176.045 0.046 . 1 . . . . . 149 PHE C . 51085 1
470 . 1 . 1 113 113 PHE CA C 13 59.098 0.169 . 1 . . . . . 149 PHE CA . 51085 1
471 . 1 . 1 113 113 PHE CB C 13 39.942 0.194 . 1 . . . . . 149 PHE CB . 51085 1
472 . 1 . 1 113 113 PHE N N 15 124.594 0.037 . 1 . . . . . 149 PHE N . 51085 1
473 . 1 . 1 114 114 SER H H 1 8.151 0.002 . 1 . . . . . 150 SER H . 51085 1
474 . 1 . 1 114 114 SER C C 13 173.648 0.053 . 1 . . . . . 150 SER C . 51085 1
475 . 1 . 1 114 114 SER CA C 13 57.902 0.171 . 1 . . . . . 150 SER CA . 51085 1
476 . 1 . 1 114 114 SER CB C 13 64.702 0.208 . 1 . . . . . 150 SER CB . 51085 1
477 . 1 . 1 114 114 SER N N 15 114.443 0.022 . 1 . . . . . 150 SER N . 51085 1
478 . 1 . 1 115 115 GLU H H 1 8.655 0.002 . 1 . . . . . 151 GLU H . 51085 1
479 . 1 . 1 115 115 GLU C C 13 176.092 0.044 . 1 . . . . . 151 GLU C . 51085 1
480 . 1 . 1 115 115 GLU CA C 13 57.208 0.161 . 1 . . . . . 151 GLU CA . 51085 1
481 . 1 . 1 115 115 GLU CB C 13 30.865 0.226 . 1 . . . . . 151 GLU CB . 51085 1
482 . 1 . 1 115 115 GLU N N 15 123.918 0.006 . 1 . . . . . 151 GLU N . 51085 1
483 . 1 . 1 116 116 GLU H H 1 8.337 0.002 . 1 . . . . . 152 GLU H . 51085 1
484 . 1 . 1 116 116 GLU C C 13 175.936 0.040 . 1 . . . . . 152 GLU C . 51085 1
485 . 1 . 1 116 116 GLU CA C 13 56.881 0.152 . 1 . . . . . 152 GLU CA . 51085 1
486 . 1 . 1 116 116 GLU CB C 13 30.496 0.213 . 1 . . . . . 152 GLU CB . 51085 1
487 . 1 . 1 116 116 GLU N N 15 121.196 0.006 . 1 . . . . . 152 GLU N . 51085 1
488 . 1 . 1 117 117 TYR H H 1 8.053 0.002 . 1 . . . . . 153 TYR H . 51085 1
489 . 1 . 1 117 117 TYR C C 13 175.277 0.055 . 1 . . . . . 153 TYR C . 51085 1
490 . 1 . 1 117 117 TYR CA C 13 57.925 0.160 . 1 . . . . . 153 TYR CA . 51085 1
491 . 1 . 1 117 117 TYR CB C 13 39.034 0.228 . 1 . . . . . 153 TYR CB . 51085 1
492 . 1 . 1 117 117 TYR N N 15 120.673 0.003 . 1 . . . . . 153 TYR N . 51085 1
493 . 1 . 1 118 118 ASN H H 1 8.248 0.002 . 1 . . . . . 154 ASN H . 51085 1
494 . 1 . 1 118 118 ASN C C 13 175.143 0.049 . 1 . . . . . 154 ASN C . 51085 1
495 . 1 . 1 118 118 ASN CA C 13 53.433 0.177 . 1 . . . . . 154 ASN CA . 51085 1
496 . 1 . 1 118 118 ASN CB C 13 39.320 0.213 . 1 . . . . . 154 ASN CB . 51085 1
497 . 1 . 1 118 118 ASN N N 15 120.657 0.007 . 1 . . . . . 154 ASN N . 51085 1
498 . 1 . 1 119 119 THR H H 1 8.073 0.002 . 1 . . . . . 155 THR H . 51085 1
499 . 1 . 1 119 119 THR C C 13 174.504 0.040 . 1 . . . . . 155 THR C . 51085 1
500 . 1 . 1 119 119 THR CA C 13 62.044 0.142 . 1 . . . . . 155 THR CA . 51085 1
501 . 1 . 1 119 119 THR CB C 13 69.846 0.162 . 1 . . . . . 155 THR CB . 51085 1
502 . 1 . 1 119 119 THR N N 15 114.215 0.007 . 1 . . . . . 155 THR N . 51085 1
503 . 1 . 1 120 120 SER H H 1 8.214 0.002 . 1 . . . . . 156 SER H . 51085 1
504 . 1 . 1 120 120 SER C C 13 173.616 0.005 . 1 . . . . . 156 SER C . 51085 1
505 . 1 . 1 120 120 SER CA C 13 58.607 0.120 . 1 . . . . . 156 SER CA . 51085 1
506 . 1 . 1 120 120 SER CB C 13 64.094 0.165 . 1 . . . . . 156 SER CB . 51085 1
507 . 1 . 1 120 120 SER N N 15 117.623 0.005 . 1 . . . . . 156 SER N . 51085 1
508 . 1 . 1 121 121 ASN H H 1 8.334 0.002 . 1 . . . . . 157 ASN H . 51085 1
509 . 1 . 1 121 121 ASN C C 13 173.048 0.200 . 1 . . . . . 157 ASN C . 51085 1
510 . 1 . 1 121 121 ASN CA C 13 51.643 0.200 . 1 . . . . . 157 ASN CA . 51085 1
511 . 1 . 1 121 121 ASN CB C 13 39.155 0.200 . 1 . . . . . 157 ASN CB . 51085 1
512 . 1 . 1 121 121 ASN N N 15 121.478 0.011 . 1 . . . . . 157 ASN N . 51085 1
513 . 1 . 1 122 122 PRO C C 13 175.894 0.112 . 1 . . . . . 158 PRO C . 51085 1
514 . 1 . 1 122 122 PRO CA C 13 63.873 0.200 . 1 . . . . . 158 PRO CA . 51085 1
515 . 1 . 1 122 122 PRO CB C 13 32.458 0.200 . 1 . . . . . 158 PRO CB . 51085 1
516 . 1 . 1 123 123 ASP H H 1 7.852 0.002 . 1 . . . . . 159 ASP H . 51085 1
517 . 1 . 1 123 123 ASP C C 13 175.679 0.200 . 1 . . . . . 159 ASP C . 51085 1
518 . 1 . 1 123 123 ASP CA C 13 55.834 0.200 . 1 . . . . . 159 ASP CA . 51085 1
519 . 1 . 1 123 123 ASP CB C 13 42.152 0.200 . 1 . . . . . 159 ASP CB . 51085 1
520 . 1 . 1 123 123 ASP N N 15 125.644 0.004 . 1 . . . . . 159 ASP N . 51085 1
stop_
save_