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 52455
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'FF1 5M urea'
_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' . . . 52455 1
2 '3D HNCACB' . . . 52455 1
6 '3D HN(CO)CACB' . . . 52455 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 . . 52455 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 11 11 SER C C 13 174.746 0.018 . 1 . . . . . -17 SER C . 52455 1
2 . 1 . 1 11 11 SER CB C 13 64.098 0.000 . 1 . . . . . -17 SER CB . 52455 1
3 . 1 . 1 12 12 SER H H 1 8.611 0.007 . 1 . . . . . -16 SER H . 52455 1
4 . 1 . 1 12 12 SER C C 13 175.020 0.018 . 1 . . . . . -16 SER C . 52455 1
5 . 1 . 1 12 12 SER CA C 13 58.998 0.073 . 1 . . . . . -16 SER CA . 52455 1
6 . 1 . 1 12 12 SER CB C 13 64.010 0.019 . 1 . . . . . -16 SER CB . 52455 1
7 . 1 . 1 12 12 SER N N 15 118.250 0.037 . 1 . . . . . -16 SER N . 52455 1
8 . 1 . 1 13 13 GLY H H 1 8.491 0.007 . 1 . . . . . -15 GLY H . 52455 1
9 . 1 . 1 13 13 GLY C C 13 173.828 0.005 . 1 . . . . . -15 GLY C . 52455 1
10 . 1 . 1 13 13 GLY CA C 13 45.315 0.001 . 1 . . . . . -15 GLY CA . 52455 1
11 . 1 . 1 13 13 GLY N N 15 110.598 0.021 . 1 . . . . . -15 GLY N . 52455 1
12 . 1 . 1 14 14 LEU H H 1 8.138 0.002 . 1 . . . . . -14 LEU H . 52455 1
13 . 1 . 1 14 14 LEU C C 13 177.184 0.001 . 1 . . . . . -14 LEU C . 52455 1
14 . 1 . 1 14 14 LEU CA C 13 55.161 0.001 . 1 . . . . . -14 LEU CA . 52455 1
15 . 1 . 1 14 14 LEU CB C 13 42.582 0.001 . 1 . . . . . -14 LEU CB . 52455 1
16 . 1 . 1 14 14 LEU N N 15 121.639 0.015 . 1 . . . . . -14 LEU N . 52455 1
17 . 1 . 1 15 15 VAL H H 1 8.288 0.003 . 1 . . . . . -13 VAL H . 52455 1
18 . 1 . 1 15 15 VAL C C 13 174.491 0.000 . 1 . . . . . -13 VAL C . 52455 1
19 . 1 . 1 15 15 VAL CA C 13 59.935 0.000 . 1 . . . . . -13 VAL CA . 52455 1
20 . 1 . 1 15 15 VAL CB C 13 32.960 0.000 . 1 . . . . . -13 VAL CB . 52455 1
21 . 1 . 1 15 15 VAL N N 15 122.796 0.003 . 1 . . . . . -13 VAL N . 52455 1
22 . 1 . 1 16 16 PRO CA C 13 63.137 0.000 . 1 . . . . . -12 PRO CA . 52455 1
23 . 1 . 1 17 17 ARG H H 1 8.629 0.002 . 1 . . . . . -11 ARG H . 52455 1
24 . 1 . 1 17 17 ARG C C 13 177.072 0.004 . 1 . . . . . -11 ARG C . 52455 1
25 . 1 . 1 17 17 ARG CA C 13 56.699 0.024 . 1 . . . . . -11 ARG CA . 52455 1
26 . 1 . 1 17 17 ARG CB C 13 31.157 0.014 . 1 . . . . . -11 ARG CB . 52455 1
27 . 1 . 1 17 17 ARG N N 15 122.348 0.014 . 1 . . . . . -11 ARG N . 52455 1
28 . 1 . 1 18 18 GLY H H 1 8.627 0.003 . 1 . . . . . -10 GLY H . 52455 1
29 . 1 . 1 18 18 GLY C C 13 174.137 0.035 . 1 . . . . . -10 GLY C . 52455 1
30 . 1 . 1 18 18 GLY CA C 13 45.392 0.066 . 1 . . . . . -10 GLY CA . 52455 1
31 . 1 . 1 18 18 GLY N N 15 110.581 0.019 . 1 . . . . . -10 GLY N . 52455 1
32 . 1 . 1 19 19 SER H H 1 8.367 0.004 . 1 . . . . . -9 SER H . 52455 1
33 . 1 . 1 19 19 SER C C 13 174.796 0.013 . 1 . . . . . -9 SER C . 52455 1
34 . 1 . 1 19 19 SER CA C 13 58.834 0.005 . 1 . . . . . -9 SER CA . 52455 1
35 . 1 . 1 19 19 SER CB C 13 64.031 0.020 . 1 . . . . . -9 SER CB . 52455 1
36 . 1 . 1 19 19 SER N N 15 115.707 0.033 . 1 . . . . . -9 SER N . 52455 1
37 . 1 . 1 20 20 HIS H H 1 8.604 0.007 . 1 . . . . . -8 HIS H . 52455 1
38 . 1 . 1 20 20 HIS C C 13 175.913 0.000 . 1 . . . . . -8 HIS C . 52455 1
39 . 1 . 1 20 20 HIS CA C 13 56.181 0.000 . 1 . . . . . -8 HIS CA . 52455 1
40 . 1 . 1 20 20 HIS CB C 13 33.211 0.000 . 1 . . . . . -8 HIS CB . 52455 1
41 . 1 . 1 20 20 HIS N N 15 122.207 0.007 . 1 . . . . . -8 HIS N . 52455 1
42 . 1 . 1 22 22 GLU H H 1 8.531 0.005 . 1 . . . . . -6 GLU H . 52455 1
43 . 1 . 1 22 22 GLU C C 13 176.223 0.013 . 1 . . . . . -6 GLU C . 52455 1
44 . 1 . 1 22 22 GLU CA C 13 57.015 0.038 . 1 . . . . . -6 GLU CA . 52455 1
45 . 1 . 1 22 22 GLU CB C 13 30.513 0.023 . 1 . . . . . -6 GLU CB . 52455 1
46 . 1 . 1 22 22 GLU N N 15 121.755 0.022 . 1 . . . . . -6 GLU N . 52455 1
47 . 1 . 1 23 23 ASN H H 1 8.549 0.003 . 1 . . . . . -5 ASN H . 52455 1
48 . 1 . 1 23 23 ASN C C 13 175.134 0.000 . 1 . . . . . -5 ASN C . 52455 1
49 . 1 . 1 23 23 ASN CA C 13 53.520 0.001 . 1 . . . . . -5 ASN CA . 52455 1
50 . 1 . 1 23 23 ASN CB C 13 38.863 0.011 . 1 . . . . . -5 ASN CB . 52455 1
51 . 1 . 1 23 23 ASN N N 15 119.494 0.018 . 1 . . . . . -5 ASN N . 52455 1
52 . 1 . 1 24 24 LEU H H 1 8.222 0.014 . 1 . . . . . -4 LEU H . 52455 1
53 . 1 . 1 24 24 LEU C C 13 176.923 0.043 . 1 . . . . . -4 LEU C . 52455 1
54 . 1 . 1 24 24 LEU CA C 13 55.462 0.052 . 1 . . . . . -4 LEU CA . 52455 1
55 . 1 . 1 24 24 LEU CB C 13 42.546 0.026 . 1 . . . . . -4 LEU CB . 52455 1
56 . 1 . 1 24 24 LEU N N 15 122.511 0.048 . 1 . . . . . -4 LEU N . 52455 1
57 . 1 . 1 25 25 TYR H H 1 8.201 0.004 . 1 . . . . . -3 TYR H . 52455 1
58 . 1 . 1 25 25 TYR C C 13 175.541 0.014 . 1 . . . . . -3 TYR C . 52455 1
59 . 1 . 1 25 25 TYR CA C 13 57.983 0.011 . 1 . . . . . -3 TYR CA . 52455 1
60 . 1 . 1 25 25 TYR CB C 13 38.894 0.015 . 1 . . . . . -3 TYR CB . 52455 1
61 . 1 . 1 25 25 TYR N N 15 120.117 0.016 . 1 . . . . . -3 TYR N . 52455 1
62 . 1 . 1 26 26 PHE H H 1 8.198 0.005 . 1 . . . . . -2 PHE H . 52455 1
63 . 1 . 1 26 26 PHE C C 13 175.476 0.041 . 1 . . . . . -2 PHE C . 52455 1
64 . 1 . 1 26 26 PHE CA C 13 57.759 0.022 . 1 . . . . . -2 PHE CA . 52455 1
65 . 1 . 1 26 26 PHE CB C 13 39.912 0.011 . 1 . . . . . -2 PHE CB . 52455 1
66 . 1 . 1 26 26 PHE N N 15 121.885 0.013 . 1 . . . . . -2 PHE N . 52455 1
67 . 1 . 1 27 27 GLN H H 1 8.437 0.003 . 1 . . . . . -1 GLN H . 52455 1
68 . 1 . 1 27 27 GLN C C 13 176.187 0.070 . 1 . . . . . -1 GLN C . 52455 1
69 . 1 . 1 27 27 GLN CA C 13 56.128 0.037 . 1 . . . . . -1 GLN CA . 52455 1
70 . 1 . 1 27 27 GLN CB C 13 29.536 0.013 . 1 . . . . . -1 GLN CB . 52455 1
71 . 1 . 1 27 27 GLN N N 15 122.845 0.018 . 1 . . . . . -1 GLN N . 52455 1
72 . 1 . 1 28 28 GLY H H 1 8.064 0.003 . 1 . . . . . 0 GLY H . 52455 1
73 . 1 . 1 28 28 GLY C C 13 174.109 0.000 . 1 . . . . . 0 GLY C . 52455 1
74 . 1 . 1 28 28 GLY CA C 13 45.490 0.000 . 1 . . . . . 0 GLY CA . 52455 1
75 . 1 . 1 28 28 GLY N N 15 109.815 0.015 . 1 . . . . . 0 GLY N . 52455 1
76 . 1 . 1 29 29 SER H H 1 8.360 0.000 . 1 . . . . . 1 SER H . 52455 1
77 . 1 . 1 29 29 SER N N 15 115.675 0.038 . 1 . . . . . 1 SER N . 52455 1
78 . 1 . 1 31 31 GLN H H 1 8.508 0.000 . 1 . . . . . 3 GLN H . 52455 1
79 . 1 . 1 31 31 GLN C C 13 175.862 0.013 . 1 . . . . . 3 GLN C . 52455 1
80 . 1 . 1 31 31 GLN CA C 13 55.971 0.013 . 1 . . . . . 3 GLN CA . 52455 1
81 . 1 . 1 31 31 GLN CB C 13 29.543 0.007 . 1 . . . . . 3 GLN CB . 52455 1
82 . 1 . 1 31 31 GLN N N 15 121.852 0.006 . 1 . . . . . 3 GLN N . 52455 1
83 . 1 . 1 32 32 ILE H H 1 8.301 0.002 . 1 . . . . . 4 ILE H . 52455 1
84 . 1 . 1 32 32 ILE C C 13 175.959 0.011 . 1 . . . . . 4 ILE C . 52455 1
85 . 1 . 1 32 32 ILE CA C 13 61.230 0.008 . 1 . . . . . 4 ILE CA . 52455 1
86 . 1 . 1 32 32 ILE CB C 13 39.073 0.039 . 1 . . . . . 4 ILE CB . 52455 1
87 . 1 . 1 32 32 ILE N N 15 122.638 0.016 . 1 . . . . . 4 ILE N . 52455 1
88 . 1 . 1 33 33 ALA H H 1 8.533 0.002 . 1 . . . . . 5 ALA H . 52455 1
89 . 1 . 1 33 33 ALA C C 13 177.796 0.001 . 1 . . . . . 5 ALA C . 52455 1
90 . 1 . 1 33 33 ALA CA C 13 52.707 0.007 . 1 . . . . . 5 ALA CA . 52455 1
91 . 1 . 1 33 33 ALA CB C 13 19.384 0.009 . 1 . . . . . 5 ALA CB . 52455 1
92 . 1 . 1 33 33 ALA N N 15 128.416 0.012 . 1 . . . . . 5 ALA N . 52455 1
93 . 1 . 1 34 34 THR H H 1 8.255 0.002 . 1 . . . . . 6 THR H . 52455 1
94 . 1 . 1 34 34 THR C C 13 174.502 0.010 . 1 . . . . . 6 THR C . 52455 1
95 . 1 . 1 34 34 THR CA C 13 61.753 0.011 . 1 . . . . . 6 THR CA . 52455 1
96 . 1 . 1 34 34 THR CB C 13 70.286 0.042 . 1 . . . . . 6 THR CB . 52455 1
97 . 1 . 1 34 34 THR N N 15 113.667 0.010 . 1 . . . . . 6 THR N . 52455 1
98 . 1 . 1 35 35 ALA H H 1 8.434 0.004 . 1 . . . . . 7 ALA H . 52455 1
99 . 1 . 1 35 35 ALA C C 13 177.886 0.002 . 1 . . . . . 7 ALA C . 52455 1
100 . 1 . 1 35 35 ALA CA C 13 52.834 0.014 . 1 . . . . . 7 ALA CA . 52455 1
101 . 1 . 1 35 35 ALA CB C 13 19.349 0.008 . 1 . . . . . 7 ALA CB . 52455 1
102 . 1 . 1 35 35 ALA N N 15 126.328 0.011 . 1 . . . . . 7 ALA N . 52455 1
103 . 1 . 1 36 36 LYS H H 1 8.392 0.003 . 1 . . . . . 8 LYS H . 52455 1
104 . 1 . 1 36 36 LYS C C 13 176.550 0.014 . 1 . . . . . 8 LYS C . 52455 1
105 . 1 . 1 36 36 LYS CA C 13 56.973 0.014 . 1 . . . . . 8 LYS CA . 52455 1
106 . 1 . 1 36 36 LYS CB C 13 33.244 0.032 . 1 . . . . . 8 LYS CB . 52455 1
107 . 1 . 1 36 36 LYS N N 15 120.673 0.012 . 1 . . . . . 8 LYS N . 52455 1
108 . 1 . 1 37 37 ASP H H 1 8.354 0.003 . 1 . . . . . 9 ASP H . 52455 1
109 . 1 . 1 37 37 ASP C C 13 176.277 0.013 . 1 . . . . . 9 ASP C . 52455 1
110 . 1 . 1 37 37 ASP CA C 13 54.691 0.006 . 1 . . . . . 9 ASP CA . 52455 1
111 . 1 . 1 37 37 ASP CB C 13 41.485 0.001 . 1 . . . . . 9 ASP CB . 52455 1
112 . 1 . 1 37 37 ASP N N 15 120.819 0.012 . 1 . . . . . 9 ASP N . 52455 1
113 . 1 . 1 38 38 LYS H H 1 8.202 0.001 . 1 . . . . . 10 LYS H . 52455 1
114 . 1 . 1 38 38 LYS C C 13 176.391 0.001 . 1 . . . . . 10 LYS C . 52455 1
115 . 1 . 1 38 38 LYS CA C 13 57.020 0.006 . 1 . . . . . 10 LYS CA . 52455 1
116 . 1 . 1 38 38 LYS CB C 13 33.197 0.027 . 1 . . . . . 10 LYS CB . 52455 1
117 . 1 . 1 38 38 LYS N N 15 121.088 0.013 . 1 . . . . . 10 LYS N . 52455 1
118 . 1 . 1 39 39 TYR H H 1 8.271 0.002 . 1 . . . . . 11 TYR H . 52455 1
119 . 1 . 1 39 39 TYR C C 13 176.077 0.077 . 1 . . . . . 11 TYR C . 52455 1
120 . 1 . 1 39 39 TYR CA C 13 58.290 0.001 . 1 . . . . . 11 TYR CA . 52455 1
121 . 1 . 1 39 39 TYR CB C 13 38.594 0.002 . 1 . . . . . 11 TYR CB . 52455 1
122 . 1 . 1 39 39 TYR N N 15 120.800 0.029 . 1 . . . . . 11 TYR N . 52455 1
123 . 1 . 1 40 40 GLU H H 1 8.405 0.004 . 1 . . . . . 12 GLU H . 52455 1
124 . 1 . 1 40 40 GLU C C 13 176.219 0.000 . 1 . . . . . 12 GLU C . 52455 1
125 . 1 . 1 40 40 GLU CA C 13 57.273 0.001 . 1 . . . . . 12 GLU CA . 52455 1
126 . 1 . 1 40 40 GLU CB C 13 30.307 0.001 . 1 . . . . . 12 GLU CB . 52455 1
127 . 1 . 1 40 40 GLU N N 15 122.131 0.015 . 1 . . . . . 12 GLU N . 52455 1
128 . 1 . 1 41 41 TRP H H 1 8.071 0.005 . 1 . . . . . 13 TRP H . 52455 1
129 . 1 . 1 41 41 TRP C C 13 176.249 0.006 . 1 . . . . . 13 TRP C . 52455 1
130 . 1 . 1 41 41 TRP CA C 13 57.469 0.001 . 1 . . . . . 13 TRP CA . 52455 1
131 . 1 . 1 41 41 TRP CB C 13 29.526 0.001 . 1 . . . . . 13 TRP CB . 52455 1
132 . 1 . 1 41 41 TRP N N 15 121.256 0.015 . 1 . . . . . 13 TRP N . 52455 1
133 . 1 . 1 42 42 LEU H H 1 8.086 0.003 . 1 . . . . . 14 LEU H . 52455 1
134 . 1 . 1 42 42 LEU C C 13 177.361 0.002 . 1 . . . . . 14 LEU C . 52455 1
135 . 1 . 1 42 42 LEU CA C 13 55.452 0.038 . 1 . . . . . 14 LEU CA . 52455 1
136 . 1 . 1 42 42 LEU CB C 13 42.579 0.001 . 1 . . . . . 14 LEU CB . 52455 1
137 . 1 . 1 42 42 LEU N N 15 123.355 0.013 . 1 . . . . . 14 LEU N . 52455 1
138 . 1 . 1 43 43 VAL H H 1 8.097 0.007 . 1 . . . . . 15 VAL H . 52455 1
139 . 1 . 1 43 43 VAL C C 13 176.296 0.000 . 1 . . . . . 15 VAL C . 52455 1
140 . 1 . 1 43 43 VAL CA C 13 62.696 0.044 . 1 . . . . . 15 VAL CA . 52455 1
141 . 1 . 1 43 43 VAL CB C 13 33.022 0.076 . 1 . . . . . 15 VAL CB . 52455 1
142 . 1 . 1 43 43 VAL N N 15 120.374 0.014 . 1 . . . . . 15 VAL N . 52455 1
143 . 1 . 1 44 44 SER H H 1 8.331 0.004 . 1 . . . . . 16 SER H . 52455 1
144 . 1 . 1 44 44 SER C C 13 174.512 0.020 . 1 . . . . . 16 SER C . 52455 1
145 . 1 . 1 44 44 SER CA C 13 58.699 0.013 . 1 . . . . . 16 SER CA . 52455 1
146 . 1 . 1 44 44 SER CB C 13 63.945 0.036 . 1 . . . . . 16 SER CB . 52455 1
147 . 1 . 1 44 44 SER N N 15 118.792 0.012 . 1 . . . . . 16 SER N . 52455 1
148 . 1 . 1 45 45 ARG H H 1 8.369 0.005 . 1 . . . . . 17 ARG H . 52455 1
149 . 1 . 1 45 45 ARG C C 13 175.999 0.010 . 1 . . . . . 17 ARG C . 52455 1
150 . 1 . 1 45 45 ARG CA C 13 56.207 0.010 . 1 . . . . . 17 ARG CA . 52455 1
151 . 1 . 1 45 45 ARG CB C 13 31.043 0.079 . 1 . . . . . 17 ARG CB . 52455 1
152 . 1 . 1 45 45 ARG N N 15 123.295 0.009 . 1 . . . . . 17 ARG N . 52455 1
153 . 1 . 1 46 46 ILE H H 1 8.247 0.002 . 1 . . . . . 18 ILE H . 52455 1
154 . 1 . 1 46 46 ILE C C 13 176.160 0.001 . 1 . . . . . 18 ILE C . 52455 1
155 . 1 . 1 46 46 ILE CA C 13 61.253 0.011 . 1 . . . . . 18 ILE CA . 52455 1
156 . 1 . 1 46 46 ILE CB C 13 38.703 0.073 . 1 . . . . . 18 ILE CB . 52455 1
157 . 1 . 1 46 46 ILE N N 15 122.443 0.014 . 1 . . . . . 18 ILE N . 52455 1
158 . 1 . 1 47 47 VAL H H 1 8.389 0.005 . 1 . . . . . 19 VAL H . 52455 1
159 . 1 . 1 47 47 VAL C C 13 175.886 0.000 . 1 . . . . . 19 VAL C . 52455 1
160 . 1 . 1 47 47 VAL CA C 13 62.356 0.001 . 1 . . . . . 19 VAL CA . 52455 1
161 . 1 . 1 47 47 VAL CB C 13 32.882 0.059 . 1 . . . . . 19 VAL CB . 52455 1
162 . 1 . 1 47 47 VAL N N 15 125.809 0.009 . 1 . . . . . 19 VAL N . 52455 1
163 . 1 . 1 48 48 LYS H H 1 8.520 0.001 . 1 . . . . . 20 LYS H . 52455 1
164 . 1 . 1 48 48 LYS C C 13 176.012 0.011 . 1 . . . . . 20 LYS C . 52455 1
165 . 1 . 1 48 48 LYS CA C 13 56.230 0.022 . 1 . . . . . 20 LYS CA . 52455 1
166 . 1 . 1 48 48 LYS CB C 13 33.364 0.071 . 1 . . . . . 20 LYS CB . 52455 1
167 . 1 . 1 48 48 LYS N N 15 125.905 0.017 . 1 . . . . . 20 LYS N . 52455 1
168 . 1 . 1 49 49 ASN H H 1 8.595 0.010 . 1 . . . . . 21 ASN H . 52455 1
169 . 1 . 1 49 49 ASN C C 13 176.439 0.000 . 1 . . . . . 21 ASN C . 52455 1
170 . 1 . 1 49 49 ASN CA C 13 53.235 0.000 . 1 . . . . . 21 ASN CA . 52455 1
171 . 1 . 1 49 49 ASN CB C 13 39.147 0.000 . 1 . . . . . 21 ASN CB . 52455 1
172 . 1 . 1 49 49 ASN N N 15 120.465 0.016 . 1 . . . . . 21 ASN N . 52455 1
173 . 1 . 1 50 50 HIS C C 13 175.182 0.000 . 1 . . . . . 22 HIS C . 52455 1
174 . 1 . 1 50 50 HIS CA C 13 56.997 0.012 . 1 . . . . . 22 HIS CA . 52455 1
175 . 1 . 1 50 50 HIS CB C 13 30.900 0.019 . 1 . . . . . 22 HIS CB . 52455 1
176 . 1 . 1 50 50 HIS N N 15 120.814 0.000 . 1 . . . . . 22 HIS N . 52455 1
177 . 1 . 1 51 51 ASN H H 1 8.469 0.010 . 1 . . . . . 23 ASN H . 52455 1
178 . 1 . 1 51 51 ASN C C 13 175.277 0.011 . 1 . . . . . 23 ASN C . 52455 1
179 . 1 . 1 51 51 ASN CA C 13 53.532 0.013 . 1 . . . . . 23 ASN CA . 52455 1
180 . 1 . 1 51 51 ASN CB C 13 39.085 0.040 . 1 . . . . . 23 ASN CB . 52455 1
181 . 1 . 1 51 51 ASN N N 15 119.807 0.021 . 1 . . . . . 23 ASN N . 52455 1
182 . 1 . 1 52 52 GLU H H 1 8.559 0.006 . 1 . . . . . 24 GLU H . 52455 1
183 . 1 . 1 52 52 GLU C C 13 176.346 0.006 . 1 . . . . . 24 GLU C . 52455 1
184 . 1 . 1 52 52 GLU CA C 13 57.039 0.001 . 1 . . . . . 24 GLU CA . 52455 1
185 . 1 . 1 52 52 GLU CB C 13 30.072 0.001 . 1 . . . . . 24 GLU CB . 52455 1
186 . 1 . 1 52 52 GLU N N 15 121.326 0.027 . 1 . . . . . 24 GLU N . 52455 1
187 . 1 . 1 53 53 ASN H H 1 8.494 0.002 . 1 . . . . . 25 ASN H . 52455 1
188 . 1 . 1 53 53 ASN C C 13 175.322 0.002 . 1 . . . . . 25 ASN C . 52455 1
189 . 1 . 1 53 53 ASN CA C 13 53.490 0.051 . 1 . . . . . 25 ASN CA . 52455 1
190 . 1 . 1 53 53 ASN CB C 13 38.787 0.036 . 1 . . . . . 25 ASN CB . 52455 1
191 . 1 . 1 53 53 ASN N N 15 119.321 0.016 . 1 . . . . . 25 ASN N . 52455 1
192 . 1 . 1 54 54 TRP H H 1 8.137 0.004 . 1 . . . . . 26 TRP H . 52455 1
193 . 1 . 1 54 54 TRP C C 13 176.296 0.000 . 1 . . . . . 26 TRP C . 52455 1
194 . 1 . 1 54 54 TRP CA C 13 57.769 0.006 . 1 . . . . . 26 TRP CA . 52455 1
195 . 1 . 1 54 54 TRP CB C 13 29.518 0.011 . 1 . . . . . 26 TRP CB . 52455 1
196 . 1 . 1 54 54 TRP N N 15 121.535 0.020 . 1 . . . . . 26 TRP N . 52455 1
197 . 1 . 1 55 55 LEU H H 1 8.064 0.002 . 1 . . . . . 27 LEU H . 52455 1
198 . 1 . 1 55 55 LEU C C 13 177.322 0.001 . 1 . . . . . 27 LEU C . 52455 1
199 . 1 . 1 55 55 LEU CA C 13 55.398 0.001 . 1 . . . . . 27 LEU CA . 52455 1
200 . 1 . 1 55 55 LEU CB C 13 42.527 0.036 . 1 . . . . . 27 LEU CB . 52455 1
201 . 1 . 1 55 55 LEU N N 15 122.876 0.025 . 1 . . . . . 27 LEU N . 52455 1
202 . 1 . 1 56 56 SER H H 1 8.211 0.005 . 1 . . . . . 28 SER H . 52455 1
203 . 1 . 1 56 56 SER C C 13 174.901 0.002 . 1 . . . . . 28 SER C . 52455 1
204 . 1 . 1 56 56 SER CA C 13 58.844 0.004 . 1 . . . . . 28 SER CA . 52455 1
205 . 1 . 1 56 56 SER CB C 13 63.890 0.010 . 1 . . . . . 28 SER CB . 52455 1
206 . 1 . 1 56 56 SER N N 15 116.366 0.014 . 1 . . . . . 28 SER N . 52455 1
207 . 1 . 1 57 57 VAL H H 1 8.126 0.002 . 1 . . . . . 29 VAL H . 52455 1
208 . 1 . 1 57 57 VAL C C 13 176.318 0.013 . 1 . . . . . 29 VAL C . 52455 1
209 . 1 . 1 57 57 VAL CA C 13 62.670 0.062 . 1 . . . . . 29 VAL CA . 52455 1
210 . 1 . 1 57 57 VAL CB C 13 33.045 0.061 . 1 . . . . . 29 VAL CB . 52455 1
211 . 1 . 1 57 57 VAL N N 15 121.228 0.004 . 1 . . . . . 29 VAL N . 52455 1
212 . 1 . 1 58 58 SER H H 1 8.388 0.005 . 1 . . . . . 30 SER H . 52455 1
213 . 1 . 1 58 58 SER C C 13 174.834 0.027 . 1 . . . . . 30 SER C . 52455 1
214 . 1 . 1 58 58 SER CA C 13 58.786 0.074 . 1 . . . . . 30 SER CA . 52455 1
215 . 1 . 1 58 58 SER CB C 13 63.866 0.078 . 1 . . . . . 30 SER CB . 52455 1
216 . 1 . 1 58 58 SER N N 15 118.817 0.024 . 1 . . . . . 30 SER N . 52455 1
217 . 1 . 1 59 59 ARG H H 1 8.438 0.005 . 1 . . . . . 31 ARG H . 52455 1
218 . 1 . 1 59 59 ARG C C 13 176.393 0.000 . 1 . . . . . 31 ARG C . 52455 1
219 . 1 . 1 59 59 ARG CA C 13 56.483 0.000 . 1 . . . . . 31 ARG CA . 52455 1
220 . 1 . 1 59 59 ARG CB C 13 30.854 0.000 . 1 . . . . . 31 ARG CB . 52455 1
221 . 1 . 1 59 59 ARG N N 15 123.455 0.011 . 1 . . . . . 31 ARG N . 52455 1
222 . 1 . 1 60 60 LYS C C 13 176.774 0.000 . 1 . . . . . 32 LYS C . 52455 1
223 . 1 . 1 60 60 LYS CA C 13 56.726 0.000 . 1 . . . . . 32 LYS CA . 52455 1
224 . 1 . 1 60 60 LYS CB C 13 33.006 0.000 . 1 . . . . . 32 LYS CB . 52455 1
225 . 1 . 1 61 61 MET H H 1 8.502 0.004 . 1 . . . . . 33 MET H . 52455 1
226 . 1 . 1 61 61 MET C C 13 176.252 0.002 . 1 . . . . . 33 MET C . 52455 1
227 . 1 . 1 61 61 MET CA C 13 56.905 0.037 . 1 . . . . . 33 MET CA . 52455 1
228 . 1 . 1 61 61 MET CB C 13 33.005 0.025 . 1 . . . . . 33 MET CB . 52455 1
229 . 1 . 1 61 61 MET N N 15 122.190 0.020 . 1 . . . . . 33 MET N . 52455 1
230 . 1 . 1 62 62 GLN H H 1 8.497 0.009 . 1 . . . . . 34 GLN H . 52455 1
231 . 1 . 1 62 62 GLN C C 13 175.490 0.017 . 1 . . . . . 34 GLN C . 52455 1
232 . 1 . 1 62 62 GLN CA C 13 55.922 0.008 . 1 . . . . . 34 GLN CA . 52455 1
233 . 1 . 1 62 62 GLN CB C 13 29.664 0.073 . 1 . . . . . 34 GLN CB . 52455 1
234 . 1 . 1 62 62 GLN N N 15 121.851 0.023 . 1 . . . . . 34 GLN N . 52455 1
235 . 1 . 1 63 63 ALA H H 1 8.460 0.003 . 1 . . . . . 35 ALA H . 52455 1
236 . 1 . 1 63 63 ALA C C 13 177.415 0.002 . 1 . . . . . 35 ALA C . 52455 1
237 . 1 . 1 63 63 ALA CA C 13 52.445 0.010 . 1 . . . . . 35 ALA CA . 52455 1
238 . 1 . 1 63 63 ALA CB C 13 19.496 0.065 . 1 . . . . . 35 ALA CB . 52455 1
239 . 1 . 1 63 63 ALA N N 15 125.559 0.006 . 1 . . . . . 35 ALA N . 52455 1
240 . 1 . 1 64 64 SER H H 1 8.434 0.004 . 1 . . . . . 36 SER H . 52455 1
241 . 1 . 1 64 64 SER C C 13 172.997 0.000 . 1 . . . . . 36 SER C . 52455 1
242 . 1 . 1 64 64 SER CA C 13 59.322 0.000 . 1 . . . . . 36 SER CA . 52455 1
243 . 1 . 1 64 64 SER CB C 13 63.433 0.000 . 1 . . . . . 36 SER CB . 52455 1
244 . 1 . 1 64 64 SER N N 15 116.765 0.016 . 1 . . . . . 36 SER N . 52455 1
245 . 1 . 1 65 65 PRO C C 13 176.826 0.000 . 1 . . . . . 37 PRO C . 52455 1
246 . 1 . 1 65 65 PRO CA C 13 63.684 0.000 . 1 . . . . . 37 PRO CA . 52455 1
247 . 1 . 1 65 65 PRO CB C 13 32.181 0.000 . 1 . . . . . 37 PRO CB . 52455 1
248 . 1 . 1 66 66 GLU H H 1 8.585 0.002 . 1 . . . . . 38 GLU H . 52455 1
249 . 1 . 1 66 66 GLU C C 13 176.310 0.000 . 1 . . . . . 38 GLU C . 52455 1
250 . 1 . 1 66 66 GLU CA C 13 57.013 0.036 . 1 . . . . . 38 GLU CA . 52455 1
251 . 1 . 1 66 66 GLU CB C 13 30.302 0.007 . 1 . . . . . 38 GLU CB . 52455 1
252 . 1 . 1 66 66 GLU N N 15 120.385 0.011 . 1 . . . . . 38 GLU N . 52455 1
253 . 1 . 1 67 67 TYR H H 1 8.179 0.002 . 1 . . . . . 39 TYR H . 52455 1
254 . 1 . 1 67 67 TYR C C 13 175.698 0.005 . 1 . . . . . 39 TYR C . 52455 1
255 . 1 . 1 67 67 TYR CA C 13 58.056 0.001 . 1 . . . . . 39 TYR CA . 52455 1
256 . 1 . 1 67 67 TYR CB C 13 39.023 0.054 . 1 . . . . . 39 TYR CB . 52455 1
257 . 1 . 1 67 67 TYR N N 15 120.807 0.008 . 1 . . . . . 39 TYR N . 52455 1
258 . 1 . 1 68 68 GLN H H 1 8.276 0.004 . 1 . . . . . 40 GLN H . 52455 1
259 . 1 . 1 68 68 GLN C C 13 175.186 0.002 . 1 . . . . . 40 GLN C . 52455 1
260 . 1 . 1 68 68 GLN CA C 13 55.678 0.030 . 1 . . . . . 40 GLN CA . 52455 1
261 . 1 . 1 68 68 GLN CB C 13 29.846 0.019 . 1 . . . . . 40 GLN CB . 52455 1
262 . 1 . 1 68 68 GLN N N 15 122.001 0.009 . 1 . . . . . 40 GLN N . 52455 1
263 . 1 . 1 69 69 ASP H H 1 8.360 0.004 . 1 . . . . . 41 ASP H . 52455 1
264 . 1 . 1 69 69 ASP C C 13 175.832 0.001 . 1 . . . . . 41 ASP C . 52455 1
265 . 1 . 1 69 69 ASP CA C 13 54.614 0.002 . 1 . . . . . 41 ASP CA . 52455 1
266 . 1 . 1 69 69 ASP CB C 13 41.490 0.009 . 1 . . . . . 41 ASP CB . 52455 1
267 . 1 . 1 69 69 ASP N N 15 121.554 0.006 . 1 . . . . . 41 ASP N . 52455 1
268 . 1 . 1 70 70 TYR H H 1 8.128 0.001 . 1 . . . . . 42 TYR H . 52455 1
269 . 1 . 1 70 70 TYR C C 13 175.468 0.006 . 1 . . . . . 42 TYR C . 52455 1
270 . 1 . 1 70 70 TYR CA C 13 58.316 0.035 . 1 . . . . . 42 TYR CA . 52455 1
271 . 1 . 1 70 70 TYR CB C 13 39.085 0.033 . 1 . . . . . 42 TYR CB . 52455 1
272 . 1 . 1 70 70 TYR N N 15 120.408 0.014 . 1 . . . . . 42 TYR N . 52455 1
273 . 1 . 1 71 71 VAL H H 1 8.025 0.002 . 1 . . . . . 43 VAL H . 52455 1
274 . 1 . 1 71 71 VAL C C 13 175.419 0.046 . 1 . . . . . 43 VAL C . 52455 1
275 . 1 . 1 71 71 VAL CA C 13 62.538 0.074 . 1 . . . . . 43 VAL CA . 52455 1
276 . 1 . 1 71 71 VAL CB C 13 33.061 0.026 . 1 . . . . . 43 VAL CB . 52455 1
277 . 1 . 1 71 71 VAL N N 15 122.501 0.004 . 1 . . . . . 43 VAL N . 52455 1
278 . 1 . 1 72 72 TYR H H 1 8.316 0.002 . 1 . . . . . 44 TYR H . 52455 1
279 . 1 . 1 72 72 TYR C C 13 175.657 0.006 . 1 . . . . . 44 TYR C . 52455 1
280 . 1 . 1 72 72 TYR CA C 13 58.056 0.001 . 1 . . . . . 44 TYR CA . 52455 1
281 . 1 . 1 72 72 TYR CB C 13 38.829 0.001 . 1 . . . . . 44 TYR CB . 52455 1
282 . 1 . 1 72 72 TYR N N 15 124.341 0.006 . 1 . . . . . 44 TYR N . 52455 1
283 . 1 . 1 73 73 LEU H H 1 8.239 0.003 . 1 . . . . . 45 LEU H . 52455 1
284 . 1 . 1 73 73 LEU C C 13 177.046 0.025 . 1 . . . . . 45 LEU C . 52455 1
285 . 1 . 1 73 73 LEU CA C 13 55.069 0.040 . 1 . . . . . 45 LEU CA . 52455 1
286 . 1 . 1 73 73 LEU CB C 13 42.654 0.033 . 1 . . . . . 45 LEU CB . 52455 1
287 . 1 . 1 73 73 LEU N N 15 124.993 0.020 . 1 . . . . . 45 LEU N . 52455 1
288 . 1 . 1 74 74 GLU H H 1 8.472 0.008 . 1 . . . . . 46 GLU H . 52455 1
289 . 1 . 1 74 74 GLU C C 13 177.103 0.000 . 1 . . . . . 46 GLU C . 52455 1
290 . 1 . 1 74 74 GLU CA C 13 57.041 0.001 . 1 . . . . . 46 GLU CA . 52455 1
291 . 1 . 1 74 74 GLU CB C 13 30.301 0.007 . 1 . . . . . 46 GLU CB . 52455 1
292 . 1 . 1 74 74 GLU N N 15 122.190 0.005 . 1 . . . . . 46 GLU N . 52455 1
293 . 1 . 1 75 75 GLY H H 1 8.507 0.003 . 1 . . . . . 47 GLY H . 52455 1
294 . 1 . 1 75 75 GLY C C 13 174.666 0.004 . 1 . . . . . 47 GLY C . 52455 1
295 . 1 . 1 75 75 GLY CA C 13 45.636 0.013 . 1 . . . . . 47 GLY CA . 52455 1
296 . 1 . 1 75 75 GLY N N 15 109.915 0.028 . 1 . . . . . 47 GLY N . 52455 1
297 . 1 . 1 76 76 THR H H 1 8.139 0.002 . 1 . . . . . 48 THR H . 52455 1
298 . 1 . 1 76 76 THR C C 13 174.953 0.007 . 1 . . . . . 48 THR C . 52455 1
299 . 1 . 1 76 76 THR CA C 13 62.343 0.008 . 1 . . . . . 48 THR CA . 52455 1
300 . 1 . 1 76 76 THR CB C 13 70.092 0.003 . 1 . . . . . 48 THR CB . 52455 1
301 . 1 . 1 76 76 THR N N 15 113.131 0.034 . 1 . . . . . 48 THR N . 52455 1
302 . 1 . 1 77 77 GLN H H 1 8.556 0.004 . 1 . . . . . 49 GLN H . 52455 1
303 . 1 . 1 77 77 GLN C C 13 176.120 0.001 . 1 . . . . . 49 GLN C . 52455 1
304 . 1 . 1 77 77 GLN CA C 13 56.256 0.002 . 1 . . . . . 49 GLN CA . 52455 1
305 . 1 . 1 77 77 GLN CB C 13 29.524 0.001 . 1 . . . . . 49 GLN CB . 52455 1
306 . 1 . 1 77 77 GLN N N 15 122.503 0.014 . 1 . . . . . 49 GLN N . 52455 1
307 . 1 . 1 78 78 LYS H H 1 8.434 0.004 . 1 . . . . . 50 LYS H . 52455 1
308 . 1 . 1 78 78 LYS C C 13 176.391 0.002 . 1 . . . . . 50 LYS C . 52455 1
309 . 1 . 1 78 78 LYS CA C 13 56.597 0.045 . 1 . . . . . 50 LYS CA . 52455 1
310 . 1 . 1 78 78 LYS CB C 13 33.263 0.005 . 1 . . . . . 50 LYS CB . 52455 1
311 . 1 . 1 78 78 LYS N N 15 122.673 0.007 . 1 . . . . . 50 LYS N . 52455 1
312 . 1 . 1 79 79 ALA H H 1 8.397 0.003 . 1 . . . . . 51 ALA H . 52455 1
313 . 1 . 1 79 79 ALA C C 13 177.745 0.000 . 1 . . . . . 51 ALA C . 52455 1
314 . 1 . 1 79 79 ALA CA C 13 52.509 0.004 . 1 . . . . . 51 ALA CA . 52455 1
315 . 1 . 1 79 79 ALA CB C 13 19.359 0.005 . 1 . . . . . 51 ALA CB . 52455 1
316 . 1 . 1 79 79 ALA N N 15 125.191 0.008 . 1 . . . . . 51 ALA N . 52455 1
317 . 1 . 1 80 80 LYS H H 1 8.421 0.003 . 1 . . . . . 52 LYS H . 52455 1
318 . 1 . 1 80 80 LYS C C 13 176.584 0.001 . 1 . . . . . 52 LYS C . 52455 1
319 . 1 . 1 80 80 LYS CA C 13 56.743 0.041 . 1 . . . . . 52 LYS CA . 52455 1
320 . 1 . 1 80 80 LYS CB C 13 33.516 0.002 . 1 . . . . . 52 LYS CB . 52455 1
321 . 1 . 1 80 80 LYS N N 15 121.537 0.020 . 1 . . . . . 52 LYS N . 52455 1
322 . 1 . 1 81 81 LYS H H 1 8.474 0.003 . 1 . . . . . 53 LYS H . 52455 1
323 . 1 . 1 81 81 LYS C C 13 176.164 0.006 . 1 . . . . . 53 LYS C . 52455 1
324 . 1 . 1 81 81 LYS CA C 13 56.492 0.001 . 1 . . . . . 53 LYS CA . 52455 1
325 . 1 . 1 81 81 LYS CB C 13 33.277 0.000 . 1 . . . . . 53 LYS CB . 52455 1
326 . 1 . 1 81 81 LYS N N 15 123.253 0.007 . 1 . . . . . 53 LYS N . 52455 1
327 . 1 . 1 82 82 LEU H H 1 8.381 0.001 . 1 . . . . . 54 LEU H . 52455 1
328 . 1 . 1 82 82 LEU C C 13 176.803 0.001 . 1 . . . . . 54 LEU C . 52455 1
329 . 1 . 1 82 82 LEU CA C 13 55.112 0.040 . 1 . . . . . 54 LEU CA . 52455 1
330 . 1 . 1 82 82 LEU CB C 13 42.814 0.001 . 1 . . . . . 54 LEU CB . 52455 1
331 . 1 . 1 82 82 LEU N N 15 124.078 0.004 . 1 . . . . . 54 LEU N . 52455 1
332 . 1 . 1 83 83 PHE H H 1 8.495 0.003 . 1 . . . . . 55 PHE H . 52455 1
333 . 1 . 1 83 83 PHE C C 13 175.462 0.001 . 1 . . . . . 55 PHE C . 52455 1
334 . 1 . 1 83 83 PHE CA C 13 57.568 0.025 . 1 . . . . . 55 PHE CA . 52455 1
335 . 1 . 1 83 83 PHE CB C 13 39.625 0.007 . 1 . . . . . 55 PHE CB . 52455 1
336 . 1 . 1 83 83 PHE N N 15 122.004 0.014 . 1 . . . . . 55 PHE N . 52455 1
337 . 1 . 1 84 84 LEU H H 1 8.358 0.003 . 1 . . . . . 56 LEU H . 52455 1
338 . 1 . 1 84 84 LEU C C 13 176.910 0.000 . 1 . . . . . 56 LEU C . 52455 1
339 . 1 . 1 84 84 LEU CA C 13 54.940 0.013 . 1 . . . . . 56 LEU CA . 52455 1
340 . 1 . 1 84 84 LEU CB C 13 42.550 0.029 . 1 . . . . . 56 LEU CB . 52455 1
341 . 1 . 1 84 84 LEU N N 15 124.495 0.013 . 1 . . . . . 56 LEU N . 52455 1
342 . 1 . 1 85 85 GLN H H 1 8.468 0.003 . 1 . . . . . 57 GLN H . 52455 1
343 . 1 . 1 85 85 GLN C C 13 175.741 0.006 . 1 . . . . . 57 GLN C . 52455 1
344 . 1 . 1 85 85 GLN CA C 13 56.185 0.007 . 1 . . . . . 57 GLN CA . 52455 1
345 . 1 . 1 85 85 GLN CB C 13 29.793 0.011 . 1 . . . . . 57 GLN CB . 52455 1
346 . 1 . 1 85 85 GLN N N 15 121.198 0.020 . 1 . . . . . 57 GLN N . 52455 1
347 . 1 . 1 86 86 HIS H H 1 8.479 0.002 . 1 . . . . . 58 HIS H . 52455 1
348 . 1 . 1 86 86 HIS C C 13 175.416 0.007 . 1 . . . . . 58 HIS C . 52455 1
349 . 1 . 1 86 86 HIS CA C 13 56.620 0.076 . 1 . . . . . 58 HIS CA . 52455 1
350 . 1 . 1 86 86 HIS CB C 13 31.092 0.004 . 1 . . . . . 58 HIS CB . 52455 1
351 . 1 . 1 86 86 HIS N N 15 121.117 0.066 . 1 . . . . . 58 HIS N . 52455 1
352 . 1 . 1 87 87 ILE H H 1 8.067 0.009 . 1 . . . . . 59 ILE H . 52455 1
353 . 1 . 1 87 87 ILE C C 13 175.820 0.015 . 1 . . . . . 59 ILE C . 52455 1
354 . 1 . 1 87 87 ILE CA C 13 61.239 0.021 . 1 . . . . . 59 ILE CA . 52455 1
355 . 1 . 1 87 87 ILE CB C 13 38.801 0.064 . 1 . . . . . 59 ILE CB . 52455 1
356 . 1 . 1 87 87 ILE N N 15 122.261 0.045 . 1 . . . . . 59 ILE N . 52455 1
357 . 1 . 1 88 88 HIS H H 1 8.485 0.007 . 1 . . . . . 60 HIS H . 52455 1
358 . 1 . 1 88 88 HIS C C 13 175.329 0.006 . 1 . . . . . 60 HIS C . 52455 1
359 . 1 . 1 88 88 HIS CA C 13 56.489 0.005 . 1 . . . . . 60 HIS CA . 52455 1
360 . 1 . 1 88 88 HIS CB C 13 31.326 0.004 . 1 . . . . . 60 HIS CB . 52455 1
361 . 1 . 1 88 88 HIS N N 15 124.225 0.011 . 1 . . . . . 60 HIS N . 52455 1
362 . 1 . 1 89 89 ARG H H 1 8.417 0.006 . 1 . . . . . 61 ARG H . 52455 1
363 . 1 . 1 89 89 ARG C C 13 176.023 0.000 . 1 . . . . . 61 ARG C . 52455 1
364 . 1 . 1 89 89 ARG CA C 13 56.177 0.002 . 1 . . . . . 61 ARG CA . 52455 1
365 . 1 . 1 89 89 ARG CB C 13 31.143 0.026 . 1 . . . . . 61 ARG CB . 52455 1
366 . 1 . 1 89 89 ARG N N 15 123.034 0.034 . 1 . . . . . 61 ARG N . 52455 1
367 . 1 . 1 90 90 LEU H H 1 8.492 0.004 . 1 . . . . . 62 LEU H . 52455 1
368 . 1 . 1 90 90 LEU C C 13 177.239 0.000 . 1 . . . . . 62 LEU C . 52455 1
369 . 1 . 1 90 90 LEU CA C 13 55.164 0.000 . 1 . . . . . 62 LEU CA . 52455 1
370 . 1 . 1 90 90 LEU CB C 13 42.579 0.001 . 1 . . . . . 62 LEU CB . 52455 1
371 . 1 . 1 90 90 LEU N N 15 124.002 0.011 . 1 . . . . . 62 LEU N . 52455 1
372 . 1 . 1 91 91 LYS H H 1 8.495 0.003 . 1 . . . . . 63 LYS H . 52455 1
373 . 1 . 1 91 91 LYS C C 13 176.151 0.006 . 1 . . . . . 63 LYS C . 52455 1
374 . 1 . 1 91 91 LYS CA C 13 56.680 0.035 . 1 . . . . . 63 LYS CA . 52455 1
375 . 1 . 1 91 91 LYS CB C 13 33.463 0.008 . 1 . . . . . 63 LYS CB . 52455 1
376 . 1 . 1 91 91 LYS N N 15 122.405 0.028 . 1 . . . . . 63 LYS N . 52455 1
377 . 1 . 1 92 92 HIS H H 1 8.457 0.005 . 1 . . . . . 64 HIS H . 52455 1
378 . 1 . 1 92 92 HIS C C 13 174.418 0.019 . 1 . . . . . 64 HIS C . 52455 1
379 . 1 . 1 92 92 HIS CA C 13 56.212 0.022 . 1 . . . . . 64 HIS CA . 52455 1
380 . 1 . 1 92 92 HIS CB C 13 30.862 0.008 . 1 . . . . . 64 HIS CB . 52455 1
381 . 1 . 1 92 92 HIS N N 15 121.427 0.050 . 1 . . . . . 64 HIS N . 52455 1
382 . 1 . 1 93 93 GLU H H 1 8.142 0.013 . 1 . . . . . 65 GLU H . 52455 1
383 . 1 . 1 93 93 GLU C C 13 176.243 0.000 . 1 . . . . . 65 GLU C . 52455 1
384 . 1 . 1 93 93 GLU CA C 13 58.289 0.000 . 1 . . . . . 65 GLU CA . 52455 1
385 . 1 . 1 93 93 GLU CB C 13 31.400 0.000 . 1 . . . . . 65 GLU CB . 52455 1
386 . 1 . 1 93 93 GLU N N 15 127.475 0.036 . 1 . . . . . 65 GLU N . 52455 1
stop_
save_