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 52945
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'MCL1 BAKBH3 COMOPLEX'
_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' . . . 52945 1
2 '3D HNCO' . . . 52945 1
3 '3D HNCACB' . . . 52945 1
4 '3D CBCA(CO)NH' . . . 52945 1
5 '3D HN(CA)CO' . . . 52945 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 . . 52945 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 6 6 LEU C C 13 180.484 0.000 . 1 . . . . . 174 LEU C . 52945 1
2 . 1 . 1 7 7 TYR H H 1 8.831 0.005 . 1 . . . . . 175 TYR H . 52945 1
3 . 1 . 1 7 7 TYR C C 13 176.018 0.008 . 1 . . . . . 175 TYR C . 52945 1
4 . 1 . 1 7 7 TYR CA C 13 63.246 0.036 . 1 . . . . . 175 TYR CA . 52945 1
5 . 1 . 1 7 7 TYR CB C 13 38.133 0.044 . 1 . . . . . 175 TYR CB . 52945 1
6 . 1 . 1 7 7 TYR N N 15 123.592 0.032 . 1 . . . . . 175 TYR N . 52945 1
7 . 1 . 1 8 8 ARG H H 1 8.345 0.006 . 1 . . . . . 176 ARG H . 52945 1
8 . 1 . 1 8 8 ARG C C 13 179.227 0.006 . 1 . . . . . 176 ARG C . 52945 1
9 . 1 . 1 8 8 ARG CA C 13 59.800 0.036 . 1 . . . . . 176 ARG CA . 52945 1
10 . 1 . 1 8 8 ARG CB C 13 29.922 0.000 . 1 . . . . . 176 ARG CB . 52945 1
11 . 1 . 1 8 8 ARG N N 15 118.754 0.019 . 1 . . . . . 176 ARG N . 52945 1
12 . 1 . 1 9 9 GLN H H 1 8.628 0.007 . 1 . . . . . 177 GLN H . 52945 1
13 . 1 . 1 9 9 GLN C C 13 178.042 0.000 . 1 . . . . . 177 GLN C . 52945 1
14 . 1 . 1 9 9 GLN CA C 13 59.051 0.000 . 1 . . . . . 177 GLN CA . 52945 1
15 . 1 . 1 9 9 GLN CB C 13 29.510 0.000 . 1 . . . . . 177 GLN CB . 52945 1
16 . 1 . 1 9 9 GLN N N 15 118.835 0.084 . 1 . . . . . 177 GLN N . 52945 1
17 . 1 . 1 10 10 SER H H 1 8.057 0.009 . 1 . . . . . 178 SER H . 52945 1
18 . 1 . 1 10 10 SER C C 13 173.807 0.000 . 1 . . . . . 178 SER C . 52945 1
19 . 1 . 1 10 10 SER CA C 13 62.034 0.000 . 1 . . . . . 178 SER CA . 52945 1
20 . 1 . 1 10 10 SER CB C 13 63.723 0.000 . 1 . . . . . 178 SER CB . 52945 1
21 . 1 . 1 10 10 SER N N 15 113.514 0.018 . 1 . . . . . 178 SER N . 52945 1
22 . 1 . 1 11 11 LEU H H 1 8.602 0.005 . 1 . . . . . 179 LEU H . 52945 1
23 . 1 . 1 11 11 LEU C C 13 179.633 0.000 . 1 . . . . . 179 LEU C . 52945 1
24 . 1 . 1 11 11 LEU CA C 13 57.243 0.000 . 1 . . . . . 179 LEU CA . 52945 1
25 . 1 . 1 11 11 LEU CB C 13 41.757 0.000 . 1 . . . . . 179 LEU CB . 52945 1
26 . 1 . 1 11 11 LEU N N 15 121.781 0.043 . 1 . . . . . 179 LEU N . 52945 1
27 . 1 . 1 12 12 GLU H H 1 7.883 0.003 . 1 . . . . . 180 GLU H . 52945 1
28 . 1 . 1 12 12 GLU C C 13 177.906 0.003 . 1 . . . . . 180 GLU C . 52945 1
29 . 1 . 1 12 12 GLU CA C 13 60.032 0.043 . 1 . . . . . 180 GLU CA . 52945 1
30 . 1 . 1 12 12 GLU CB C 13 29.541 0.011 . 1 . . . . . 180 GLU CB . 52945 1
31 . 1 . 1 12 12 GLU N N 15 120.128 0.031 . 1 . . . . . 180 GLU N . 52945 1
32 . 1 . 1 13 13 ILE H H 1 7.278 0.004 . 1 . . . . . 181 ILE H . 52945 1
33 . 1 . 1 13 13 ILE C C 13 176.600 0.000 . 1 . . . . . 181 ILE C . 52945 1
34 . 1 . 1 13 13 ILE CA C 13 65.939 0.000 . 1 . . . . . 181 ILE CA . 52945 1
35 . 1 . 1 13 13 ILE CB C 13 39.460 0.000 . 1 . . . . . 181 ILE CB . 52945 1
36 . 1 . 1 13 13 ILE N N 15 118.071 0.025 . 1 . . . . . 181 ILE N . 52945 1
37 . 1 . 1 14 14 ILE H H 1 8.252 0.003 . 1 . . . . . 182 ILE H . 52945 1
38 . 1 . 1 14 14 ILE C C 13 177.963 0.002 . 1 . . . . . 182 ILE C . 52945 1
39 . 1 . 1 14 14 ILE CA C 13 66.528 0.038 . 1 . . . . . 182 ILE CA . 52945 1
40 . 1 . 1 14 14 ILE CB C 13 38.031 0.011 . 1 . . . . . 182 ILE CB . 52945 1
41 . 1 . 1 14 14 ILE N N 15 117.157 0.071 . 1 . . . . . 182 ILE N . 52945 1
42 . 1 . 1 15 15 SER H H 1 8.936 0.008 . 1 . . . . . 183 SER H . 52945 1
43 . 1 . 1 15 15 SER C C 13 176.699 0.008 . 1 . . . . . 183 SER C . 52945 1
44 . 1 . 1 15 15 SER CA C 13 62.613 0.010 . 1 . . . . . 183 SER CA . 52945 1
45 . 1 . 1 15 15 SER N N 15 113.481 0.041 . 1 . . . . . 183 SER N . 52945 1
46 . 1 . 1 16 16 ARG H H 1 7.770 0.005 . 1 . . . . . 184 ARG H . 52945 1
47 . 1 . 1 16 16 ARG C C 13 178.983 0.004 . 1 . . . . . 184 ARG C . 52945 1
48 . 1 . 1 16 16 ARG CA C 13 59.895 0.033 . 1 . . . . . 184 ARG CA . 52945 1
49 . 1 . 1 16 16 ARG CB C 13 29.828 0.008 . 1 . . . . . 184 ARG CB . 52945 1
50 . 1 . 1 16 16 ARG N N 15 119.673 0.047 . 1 . . . . . 184 ARG N . 52945 1
51 . 1 . 1 17 17 TYR H H 1 8.090 0.003 . 1 . . . . . 185 TYR H . 52945 1
52 . 1 . 1 17 17 TYR C C 13 176.806 0.001 . 1 . . . . . 185 TYR C . 52945 1
53 . 1 . 1 17 17 TYR CA C 13 61.037 0.030 . 1 . . . . . 185 TYR CA . 52945 1
54 . 1 . 1 17 17 TYR CB C 13 38.992 0.019 . 1 . . . . . 185 TYR CB . 52945 1
55 . 1 . 1 17 17 TYR N N 15 118.910 0.060 . 1 . . . . . 185 TYR N . 52945 1
56 . 1 . 1 18 18 LEU H H 1 8.400 0.004 . 1 . . . . . 186 LEU H . 52945 1
57 . 1 . 1 18 18 LEU C C 13 178.775 0.001 . 1 . . . . . 186 LEU C . 52945 1
58 . 1 . 1 18 18 LEU CA C 13 60.144 0.094 . 1 . . . . . 186 LEU CA . 52945 1
59 . 1 . 1 18 18 LEU CB C 13 40.502 0.015 . 1 . . . . . 186 LEU CB . 52945 1
60 . 1 . 1 18 18 LEU N N 15 118.308 0.062 . 1 . . . . . 186 LEU N . 52945 1
61 . 1 . 1 19 19 ARG H H 1 8.186 0.005 . 1 . . . . . 187 ARG H . 52945 1
62 . 1 . 1 19 19 ARG C C 13 179.563 0.007 . 1 . . . . . 187 ARG C . 52945 1
63 . 1 . 1 19 19 ARG CA C 13 60.327 0.016 . 1 . . . . . 187 ARG CA . 52945 1
64 . 1 . 1 19 19 ARG CB C 13 30.289 0.022 . 1 . . . . . 187 ARG CB . 52945 1
65 . 1 . 1 19 19 ARG N N 15 115.989 0.028 . 1 . . . . . 187 ARG N . 52945 1
66 . 1 . 1 20 20 GLU H H 1 8.452 0.003 . 1 . . . . . 188 GLU H . 52945 1
67 . 1 . 1 20 20 GLU C C 13 180.115 0.005 . 1 . . . . . 188 GLU C . 52945 1
68 . 1 . 1 20 20 GLU CA C 13 58.919 0.104 . 1 . . . . . 188 GLU CA . 52945 1
69 . 1 . 1 20 20 GLU CB C 13 29.564 0.024 . 1 . . . . . 188 GLU CB . 52945 1
70 . 1 . 1 20 20 GLU N N 15 120.964 0.026 . 1 . . . . . 188 GLU N . 52945 1
71 . 1 . 1 21 21 GLN H H 1 8.087 0.005 . 1 . . . . . 189 GLN H . 52945 1
72 . 1 . 1 21 21 GLN C C 13 177.201 0.004 . 1 . . . . . 189 GLN C . 52945 1
73 . 1 . 1 21 21 GLN CA C 13 58.053 0.046 . 1 . . . . . 189 GLN CA . 52945 1
74 . 1 . 1 21 21 GLN CB C 13 28.911 0.014 . 1 . . . . . 189 GLN CB . 52945 1
75 . 1 . 1 21 21 GLN N N 15 119.898 0.175 . 1 . . . . . 189 GLN N . 52945 1
76 . 1 . 1 22 22 ALA H H 1 7.892 0.009 . 1 . . . . . 190 ALA H . 52945 1
77 . 1 . 1 22 22 ALA C C 13 178.297 0.002 . 1 . . . . . 190 ALA C . 52945 1
78 . 1 . 1 22 22 ALA CA C 13 54.644 0.049 . 1 . . . . . 190 ALA CA . 52945 1
79 . 1 . 1 22 22 ALA CB C 13 20.159 0.042 . 1 . . . . . 190 ALA CB . 52945 1
80 . 1 . 1 22 22 ALA N N 15 118.350 0.029 . 1 . . . . . 190 ALA N . 52945 1
81 . 1 . 1 23 23 THR H H 1 7.979 0.005 . 1 . . . . . 191 THR H . 52945 1
82 . 1 . 1 23 23 THR C C 13 176.223 0.000 . 1 . . . . . 191 THR C . 52945 1
83 . 1 . 1 23 23 THR CA C 13 62.621 0.000 . 1 . . . . . 191 THR CA . 52945 1
84 . 1 . 1 23 23 THR CB C 13 71.146 0.000 . 1 . . . . . 191 THR CB . 52945 1
85 . 1 . 1 23 23 THR N N 15 104.442 0.090 . 1 . . . . . 191 THR N . 52945 1
86 . 1 . 1 24 24 GLY H H 1 8.019 0.007 . 1 . . . . . 192 GLY H . 52945 1
87 . 1 . 1 24 24 GLY C C 13 173.157 0.016 . 1 . . . . . 192 GLY C . 52945 1
88 . 1 . 1 24 24 GLY CA C 13 45.803 0.013 . 1 . . . . . 192 GLY CA . 52945 1
89 . 1 . 1 24 24 GLY N N 15 111.278 0.041 . 1 . . . . . 192 GLY N . 52945 1
90 . 1 . 1 25 25 ALA H H 1 7.797 0.004 . 1 . . . . . 193 ALA H . 52945 1
91 . 1 . 1 25 25 ALA C C 13 176.218 0.038 . 1 . . . . . 193 ALA C . 52945 1
92 . 1 . 1 25 25 ALA CA C 13 51.317 0.015 . 1 . . . . . 193 ALA CA . 52945 1
93 . 1 . 1 25 25 ALA CB C 13 20.306 0.003 . 1 . . . . . 193 ALA CB . 52945 1
94 . 1 . 1 25 25 ALA N N 15 122.999 0.037 . 1 . . . . . 193 ALA N . 52945 1
95 . 1 . 1 26 26 LYS H H 1 8.233 0.018 . 1 . . . . . 194 LYS H . 52945 1
96 . 1 . 1 26 26 LYS C C 13 176.158 0.000 . 1 . . . . . 194 LYS C . 52945 1
97 . 1 . 1 26 26 LYS CA C 13 56.177 0.065 . 1 . . . . . 194 LYS CA . 52945 1
98 . 1 . 1 26 26 LYS CB C 13 33.333 0.044 . 1 . . . . . 194 LYS CB . 52945 1
99 . 1 . 1 26 26 LYS N N 15 121.073 0.047 . 1 . . . . . 194 LYS N . 52945 1
100 . 1 . 1 27 27 ASP H H 1 8.706 0.020 . 1 . . . . . 195 ASP H . 52945 1
101 . 1 . 1 27 27 ASP C C 13 177.016 0.001 . 1 . . . . . 195 ASP C . 52945 1
102 . 1 . 1 27 27 ASP CA C 13 54.037 0.012 . 1 . . . . . 195 ASP CA . 52945 1
103 . 1 . 1 27 27 ASP CB C 13 41.590 0.027 . 1 . . . . . 195 ASP CB . 52945 1
104 . 1 . 1 27 27 ASP N N 15 123.633 0.115 . 1 . . . . . 195 ASP N . 52945 1
105 . 1 . 1 28 28 THR H H 1 8.200 0.004 . 1 . . . . . 196 THR H . 52945 1
106 . 1 . 1 28 28 THR C C 13 175.033 0.022 . 1 . . . . . 196 THR C . 52945 1
107 . 1 . 1 28 28 THR CA C 13 61.616 0.029 . 1 . . . . . 196 THR CA . 52945 1
108 . 1 . 1 28 28 THR CB C 13 69.263 0.015 . 1 . . . . . 196 THR CB . 52945 1
109 . 1 . 1 28 28 THR N N 15 115.335 0.031 . 1 . . . . . 196 THR N . 52945 1
110 . 1 . 1 29 29 LYS H H 1 8.228 0.011 . 1 . . . . . 197 LYS H . 52945 1
111 . 1 . 1 29 29 LYS CA C 13 55.206 0.000 . 1 . . . . . 197 LYS CA . 52945 1
112 . 1 . 1 29 29 LYS CB C 13 31.859 0.000 . 1 . . . . . 197 LYS CB . 52945 1
113 . 1 . 1 29 29 LYS N N 15 124.991 0.031 . 1 . . . . . 197 LYS N . 52945 1
114 . 1 . 1 38 38 SER C C 13 175.368 0.000 . 1 . . . . . 206 SER C . 52945 1
115 . 1 . 1 38 38 SER CA C 13 62.449 0.000 . 1 . . . . . 206 SER CA . 52945 1
116 . 1 . 1 39 39 ARG H H 1 7.909 0.022 . 1 . . . . . 207 ARG H . 52945 1
117 . 1 . 1 39 39 ARG C C 13 178.753 0.004 . 1 . . . . . 207 ARG C . 52945 1
118 . 1 . 1 39 39 ARG CA C 13 59.832 0.026 . 1 . . . . . 207 ARG CA . 52945 1
119 . 1 . 1 39 39 ARG CB C 13 30.005 0.032 . 1 . . . . . 207 ARG CB . 52945 1
120 . 1 . 1 39 39 ARG N N 15 121.037 0.021 . 1 . . . . . 207 ARG N . 52945 1
121 . 1 . 1 40 40 LYS H H 1 8.058 0.005 . 1 . . . . . 208 LYS H . 52945 1
122 . 1 . 1 40 40 LYS C C 13 180.024 0.005 . 1 . . . . . 208 LYS C . 52945 1
123 . 1 . 1 40 40 LYS CA C 13 59.284 0.004 . 1 . . . . . 208 LYS CA . 52945 1
124 . 1 . 1 40 40 LYS CB C 13 32.705 0.005 . 1 . . . . . 208 LYS CB . 52945 1
125 . 1 . 1 40 40 LYS N N 15 119.235 0.039 . 1 . . . . . 208 LYS N . 52945 1
126 . 1 . 1 41 41 ALA H H 1 9.079 0.019 . 1 . . . . . 209 ALA H . 52945 1
127 . 1 . 1 41 41 ALA C C 13 178.959 0.005 . 1 . . . . . 209 ALA C . 52945 1
128 . 1 . 1 41 41 ALA CA C 13 55.865 0.028 . 1 . . . . . 209 ALA CA . 52945 1
129 . 1 . 1 41 41 ALA CB C 13 18.923 0.020 . 1 . . . . . 209 ALA CB . 52945 1
130 . 1 . 1 41 41 ALA N N 15 124.797 0.094 . 1 . . . . . 209 ALA N . 52945 1
131 . 1 . 1 42 42 LEU H H 1 8.062 0.013 . 1 . . . . . 210 LEU H . 52945 1
132 . 1 . 1 42 42 LEU C C 13 178.244 0.009 . 1 . . . . . 210 LEU C . 52945 1
133 . 1 . 1 42 42 LEU CA C 13 58.276 0.055 . 1 . . . . . 210 LEU CA . 52945 1
134 . 1 . 1 42 42 LEU CB C 13 41.730 0.007 . 1 . . . . . 210 LEU CB . 52945 1
135 . 1 . 1 42 42 LEU N N 15 119.861 0.058 . 1 . . . . . 210 LEU N . 52945 1
136 . 1 . 1 43 43 GLU H H 1 8.135 0.009 . 1 . . . . . 211 GLU H . 52945 1
137 . 1 . 1 43 43 GLU C C 13 179.753 0.007 . 1 . . . . . 211 GLU C . 52945 1
138 . 1 . 1 43 43 GLU CA C 13 59.883 0.028 . 1 . . . . . 211 GLU CA . 52945 1
139 . 1 . 1 43 43 GLU CB C 13 29.414 0.016 . 1 . . . . . 211 GLU CB . 52945 1
140 . 1 . 1 43 43 GLU N N 15 118.409 0.032 . 1 . . . . . 211 GLU N . 52945 1
141 . 1 . 1 44 44 THR H H 1 8.265 0.006 . 1 . . . . . 212 THR H . 52945 1
142 . 1 . 1 44 44 THR C C 13 175.203 0.004 . 1 . . . . . 212 THR C . 52945 1
143 . 1 . 1 44 44 THR CA C 13 67.440 0.000 . 1 . . . . . 212 THR CA . 52945 1
144 . 1 . 1 44 44 THR CB C 13 68.512 0.057 . 1 . . . . . 212 THR CB . 52945 1
145 . 1 . 1 44 44 THR N N 15 117.517 0.033 . 1 . . . . . 212 THR N . 52945 1
146 . 1 . 1 45 45 LEU H H 1 8.704 0.005 . 1 . . . . . 213 LEU H . 52945 1
147 . 1 . 1 45 45 LEU C C 13 178.108 0.004 . 1 . . . . . 213 LEU C . 52945 1
148 . 1 . 1 45 45 LEU CA C 13 58.578 0.023 . 1 . . . . . 213 LEU CA . 52945 1
149 . 1 . 1 45 45 LEU CB C 13 41.326 0.008 . 1 . . . . . 213 LEU CB . 52945 1
150 . 1 . 1 45 45 LEU N N 15 123.975 0.064 . 1 . . . . . 213 LEU N . 52945 1
151 . 1 . 1 46 46 ARG H H 1 8.283 0.005 . 1 . . . . . 214 ARG H . 52945 1
152 . 1 . 1 46 46 ARG C C 13 178.008 0.001 . 1 . . . . . 214 ARG C . 52945 1
153 . 1 . 1 46 46 ARG CA C 13 59.299 0.005 . 1 . . . . . 214 ARG CA . 52945 1
154 . 1 . 1 46 46 ARG CB C 13 30.868 0.009 . 1 . . . . . 214 ARG CB . 52945 1
155 . 1 . 1 46 46 ARG N N 15 116.956 0.056 . 1 . . . . . 214 ARG N . 52945 1
156 . 1 . 1 47 47 ARG H H 1 7.286 0.019 . 1 . . . . . 215 ARG H . 52945 1
157 . 1 . 1 47 47 ARG C C 13 178.976 0.004 . 1 . . . . . 215 ARG C . 52945 1
158 . 1 . 1 47 47 ARG CA C 13 58.875 0.064 . 1 . . . . . 215 ARG CA . 52945 1
159 . 1 . 1 47 47 ARG CB C 13 30.634 0.023 . 1 . . . . . 215 ARG CB . 52945 1
160 . 1 . 1 47 47 ARG N N 15 117.204 0.026 . 1 . . . . . 215 ARG N . 52945 1
161 . 1 . 1 48 48 VAL H H 1 8.888 0.007 . 1 . . . . . 216 VAL H . 52945 1
162 . 1 . 1 48 48 VAL C C 13 178.970 0.000 . 1 . . . . . 216 VAL C . 52945 1
163 . 1 . 1 48 48 VAL CA C 13 65.732 0.004 . 1 . . . . . 216 VAL CA . 52945 1
164 . 1 . 1 48 48 VAL CB C 13 32.643 0.061 . 1 . . . . . 216 VAL CB . 52945 1
165 . 1 . 1 48 48 VAL N N 15 119.389 0.026 . 1 . . . . . 216 VAL N . 52945 1
166 . 1 . 1 49 49 GLY H H 1 9.007 0.003 . 1 . . . . . 217 GLY H . 52945 1
167 . 1 . 1 49 49 GLY C C 13 178.018 0.000 . 1 . . . . . 217 GLY C . 52945 1
168 . 1 . 1 49 49 GLY CA C 13 46.949 0.000 . 1 . . . . . 217 GLY CA . 52945 1
169 . 1 . 1 49 49 GLY N N 15 110.881 0.042 . 1 . . . . . 217 GLY N . 52945 1
170 . 1 . 1 50 50 ASP H H 1 7.686 0.008 . 1 . . . . . 218 ASP H . 52945 1
171 . 1 . 1 50 50 ASP C C 13 179.386 0.012 . 1 . . . . . 218 ASP C . 52945 1
172 . 1 . 1 50 50 ASP CA C 13 57.798 0.018 . 1 . . . . . 218 ASP CA . 52945 1
173 . 1 . 1 50 50 ASP CB C 13 40.299 0.006 . 1 . . . . . 218 ASP CB . 52945 1
174 . 1 . 1 50 50 ASP N N 15 121.996 0.034 . 1 . . . . . 218 ASP N . 52945 1
175 . 1 . 1 51 51 GLY H H 1 7.309 0.005 . 1 . . . . . 219 GLY H . 52945 1
176 . 1 . 1 51 51 GLY C C 13 176.036 0.000 . 1 . . . . . 219 GLY C . 52945 1
177 . 1 . 1 51 51 GLY CA C 13 47.420 0.000 . 1 . . . . . 219 GLY CA . 52945 1
178 . 1 . 1 51 51 GLY N N 15 106.338 0.063 . 1 . . . . . 219 GLY N . 52945 1
179 . 1 . 1 52 52 VAL H H 1 8.427 0.023 . 1 . . . . . 220 VAL H . 52945 1
180 . 1 . 1 52 52 VAL C C 13 178.100 0.000 . 1 . . . . . 220 VAL C . 52945 1
181 . 1 . 1 52 52 VAL CA C 13 67.268 0.000 . 1 . . . . . 220 VAL CA . 52945 1
182 . 1 . 1 52 52 VAL N N 15 122.512 0.019 . 1 . . . . . 220 VAL N . 52945 1
183 . 1 . 1 53 53 GLN H H 1 7.899 0.002 . 1 . . . . . 221 GLN H . 52945 1
184 . 1 . 1 53 53 GLN C C 13 177.399 0.004 . 1 . . . . . 221 GLN C . 52945 1
185 . 1 . 1 53 53 GLN CA C 13 60.202 0.057 . 1 . . . . . 221 GLN CA . 52945 1
186 . 1 . 1 53 53 GLN CB C 13 31.380 0.020 . 1 . . . . . 221 GLN CB . 52945 1
187 . 1 . 1 53 53 GLN N N 15 115.317 0.038 . 1 . . . . . 221 GLN N . 52945 1
188 . 1 . 1 54 54 ARG H H 1 7.840 0.003 . 1 . . . . . 222 ARG H . 52945 1
189 . 1 . 1 54 54 ARG C C 13 179.215 0.003 . 1 . . . . . 222 ARG C . 52945 1
190 . 1 . 1 54 54 ARG CA C 13 58.982 0.035 . 1 . . . . . 222 ARG CA . 52945 1
191 . 1 . 1 54 54 ARG CB C 13 30.700 0.003 . 1 . . . . . 222 ARG CB . 52945 1
192 . 1 . 1 54 54 ARG N N 15 115.748 0.045 . 1 . . . . . 222 ARG N . 52945 1
193 . 1 . 1 55 55 ASN H H 1 8.263 0.015 . 1 . . . . . 223 ASN H . 52945 1
194 . 1 . 1 55 55 ASN C C 13 176.309 0.007 . 1 . . . . . 223 ASN C . 52945 1
195 . 1 . 1 55 55 ASN CA C 13 55.342 0.077 . 1 . . . . . 223 ASN CA . 52945 1
196 . 1 . 1 55 55 ASN CB C 13 38.793 0.014 . 1 . . . . . 223 ASN CB . 52945 1
197 . 1 . 1 55 55 ASN N N 15 115.947 0.028 . 1 . . . . . 223 ASN N . 52945 1
198 . 1 . 1 56 56 HIS H H 1 7.583 0.007 . 1 . . . . . 224 HIS H . 52945 1
199 . 1 . 1 56 56 HIS C C 13 174.131 0.003 . 1 . . . . . 224 HIS C . 52945 1
200 . 1 . 1 56 56 HIS CA C 13 55.475 0.043 . 1 . . . . . 224 HIS CA . 52945 1
201 . 1 . 1 56 56 HIS CB C 13 28.885 0.014 . 1 . . . . . 224 HIS CB . 52945 1
202 . 1 . 1 56 56 HIS N N 15 115.595 0.019 . 1 . . . . . 224 HIS N . 52945 1
203 . 1 . 1 57 57 GLU H H 1 6.865 0.014 . 1 . . . . . 225 GLU H . 52945 1
204 . 1 . 1 57 57 GLU C C 13 177.632 0.072 . 1 . . . . . 225 GLU C . 52945 1
205 . 1 . 1 57 57 GLU CA C 13 61.303 0.015 . 1 . . . . . 225 GLU CA . 52945 1
206 . 1 . 1 57 57 GLU CB C 13 30.449 0.033 . 1 . . . . . 225 GLU CB . 52945 1
207 . 1 . 1 57 57 GLU N N 15 122.576 0.032 . 1 . . . . . 225 GLU N . 52945 1
208 . 1 . 1 58 58 THR H H 1 8.331 0.007 . 1 . . . . . 226 THR H . 52945 1
209 . 1 . 1 58 58 THR C C 13 177.515 0.007 . 1 . . . . . 226 THR C . 52945 1
210 . 1 . 1 58 58 THR CA C 13 66.460 0.069 . 1 . . . . . 226 THR CA . 52945 1
211 . 1 . 1 58 58 THR CB C 13 68.172 0.015 . 1 . . . . . 226 THR CB . 52945 1
212 . 1 . 1 58 58 THR N N 15 112.787 0.071 . 1 . . . . . 226 THR N . 52945 1
213 . 1 . 1 59 59 ALA H H 1 7.892 0.023 . 1 . . . . . 227 ALA H . 52945 1
214 . 1 . 1 59 59 ALA C C 13 180.767 0.002 . 1 . . . . . 227 ALA C . 52945 1
215 . 1 . 1 59 59 ALA CA C 13 54.939 0.026 . 1 . . . . . 227 ALA CA . 52945 1
216 . 1 . 1 59 59 ALA CB C 13 18.109 0.039 . 1 . . . . . 227 ALA CB . 52945 1
217 . 1 . 1 59 59 ALA N N 15 126.253 0.029 . 1 . . . . . 227 ALA N . 52945 1
218 . 1 . 1 60 60 PHE H H 1 8.932 0.010 . 1 . . . . . 228 PHE H . 52945 1
219 . 1 . 1 60 60 PHE C C 13 178.152 0.000 . 1 . . . . . 228 PHE C . 52945 1
220 . 1 . 1 60 60 PHE CA C 13 58.388 0.000 . 1 . . . . . 228 PHE CA . 52945 1
221 . 1 . 1 60 60 PHE CB C 13 34.885 0.000 . 1 . . . . . 228 PHE CB . 52945 1
222 . 1 . 1 60 60 PHE N N 15 120.229 0.057 . 1 . . . . . 228 PHE N . 52945 1
223 . 1 . 1 61 61 GLN H H 1 8.905 0.011 . 1 . . . . . 229 GLN H . 52945 1
224 . 1 . 1 61 61 GLN C C 13 179.316 0.006 . 1 . . . . . 229 GLN C . 52945 1
225 . 1 . 1 61 61 GLN CA C 13 59.685 0.072 . 1 . . . . . 229 GLN CA . 52945 1
226 . 1 . 1 61 61 GLN CB C 13 28.626 0.019 . 1 . . . . . 229 GLN CB . 52945 1
227 . 1 . 1 61 61 GLN N N 15 120.131 0.061 . 1 . . . . . 229 GLN N . 52945 1
228 . 1 . 1 62 62 GLY H H 1 8.042 0.006 . 1 . . . . . 230 GLY H . 52945 1
229 . 1 . 1 62 62 GLY C C 13 176.836 0.001 . 1 . . . . . 230 GLY C . 52945 1
230 . 1 . 1 62 62 GLY CA C 13 47.390 0.013 . 1 . . . . . 230 GLY CA . 52945 1
231 . 1 . 1 62 62 GLY N N 15 106.720 0.030 . 1 . . . . . 230 GLY N . 52945 1
232 . 1 . 1 63 63 MET H H 1 8.254 0.004 . 1 . . . . . 231 MET H . 52945 1
233 . 1 . 1 63 63 MET C C 13 177.810 0.000 . 1 . . . . . 231 MET C . 52945 1
234 . 1 . 1 63 63 MET CA C 13 59.795 0.000 . 1 . . . . . 231 MET CA . 52945 1
235 . 1 . 1 63 63 MET CB C 13 33.862 0.000 . 1 . . . . . 231 MET CB . 52945 1
236 . 1 . 1 63 63 MET N N 15 121.773 0.032 . 1 . . . . . 231 MET N . 52945 1
237 . 1 . 1 64 64 LEU H H 1 8.502 0.007 . 1 . . . . . 232 LEU H . 52945 1
238 . 1 . 1 64 64 LEU C C 13 179.788 0.004 . 1 . . . . . 232 LEU C . 52945 1
239 . 1 . 1 64 64 LEU CA C 13 58.541 0.071 . 1 . . . . . 232 LEU CA . 52945 1
240 . 1 . 1 64 64 LEU CB C 13 42.165 0.035 . 1 . . . . . 232 LEU CB . 52945 1
241 . 1 . 1 64 64 LEU N N 15 118.806 0.043 . 1 . . . . . 232 LEU N . 52945 1
242 . 1 . 1 65 65 ARG H H 1 8.063 0.009 . 1 . . . . . 233 ARG H . 52945 1
243 . 1 . 1 65 65 ARG C C 13 178.970 0.000 . 1 . . . . . 233 ARG C . 52945 1
244 . 1 . 1 65 65 ARG CA C 13 59.077 0.000 . 1 . . . . . 233 ARG CA . 52945 1
245 . 1 . 1 65 65 ARG CB C 13 30.082 0.000 . 1 . . . . . 233 ARG CB . 52945 1
246 . 1 . 1 65 65 ARG N N 15 118.493 0.038 . 1 . . . . . 233 ARG N . 52945 1
247 . 1 . 1 66 66 LYS H H 1 7.558 0.005 . 1 . . . . . 234 LYS H . 52945 1
248 . 1 . 1 66 66 LYS C C 13 177.863 0.003 . 1 . . . . . 234 LYS C . 52945 1
249 . 1 . 1 66 66 LYS CA C 13 58.525 0.019 . 1 . . . . . 234 LYS CA . 52945 1
250 . 1 . 1 66 66 LYS CB C 13 32.870 0.007 . 1 . . . . . 234 LYS CB . 52945 1
251 . 1 . 1 66 66 LYS N N 15 117.685 0.020 . 1 . . . . . 234 LYS N . 52945 1
252 . 1 . 1 67 67 LEU H H 1 7.750 0.003 . 1 . . . . . 235 LEU H . 52945 1
253 . 1 . 1 67 67 LEU C C 13 176.496 0.010 . 1 . . . . . 235 LEU C . 52945 1
254 . 1 . 1 67 67 LEU CA C 13 56.272 0.026 . 1 . . . . . 235 LEU CA . 52945 1
255 . 1 . 1 67 67 LEU CB C 13 42.914 0.035 . 1 . . . . . 235 LEU CB . 52945 1
256 . 1 . 1 67 67 LEU N N 15 117.213 0.049 . 1 . . . . . 235 LEU N . 52945 1
257 . 1 . 1 68 68 ASP H H 1 7.808 0.007 . 1 . . . . . 236 ASP H . 52945 1
258 . 1 . 1 68 68 ASP C C 13 173.853 0.007 . 1 . . . . . 236 ASP C . 52945 1
259 . 1 . 1 68 68 ASP CA C 13 54.781 0.020 . 1 . . . . . 236 ASP CA . 52945 1
260 . 1 . 1 68 68 ASP CB C 13 40.007 0.015 . 1 . . . . . 236 ASP CB . 52945 1
261 . 1 . 1 68 68 ASP N N 15 117.926 0.040 . 1 . . . . . 236 ASP N . 52945 1
262 . 1 . 1 69 69 ILE H H 1 8.153 0.036 . 1 . . . . . 237 ILE H . 52945 1
263 . 1 . 1 69 69 ILE C C 13 176.624 0.000 . 1 . . . . . 237 ILE C . 52945 1
264 . 1 . 1 69 69 ILE CA C 13 61.400 0.000 . 1 . . . . . 237 ILE CA . 52945 1
265 . 1 . 1 69 69 ILE CB C 13 37.850 0.000 . 1 . . . . . 237 ILE CB . 52945 1
266 . 1 . 1 69 69 ILE N N 15 119.303 0.040 . 1 . . . . . 237 ILE N . 52945 1
267 . 1 . 1 71 71 ASN H H 1 7.768 0.018 . 1 . . . . . 239 ASN H . 52945 1
268 . 1 . 1 71 71 ASN C C 13 175.219 0.003 . 1 . . . . . 239 ASN C . 52945 1
269 . 1 . 1 71 71 ASN CA C 13 52.252 0.014 . 1 . . . . . 239 ASN CA . 52945 1
270 . 1 . 1 71 71 ASN CB C 13 39.807 0.015 . 1 . . . . . 239 ASN CB . 52945 1
271 . 1 . 1 71 71 ASN N N 15 113.454 0.075 . 1 . . . . . 239 ASN N . 52945 1
272 . 1 . 1 72 72 GLU H H 1 8.949 0.003 . 1 . . . . . 240 GLU H . 52945 1
273 . 1 . 1 72 72 GLU C C 13 177.750 0.000 . 1 . . . . . 240 GLU C . 52945 1
274 . 1 . 1 72 72 GLU CA C 13 59.834 0.000 . 1 . . . . . 240 GLU CA . 52945 1
275 . 1 . 1 72 72 GLU CB C 13 29.706 0.000 . 1 . . . . . 240 GLU CB . 52945 1
276 . 1 . 1 72 72 GLU N N 15 117.265 0.022 . 1 . . . . . 240 GLU N . 52945 1
277 . 1 . 1 73 73 ASP H H 1 8.167 0.002 . 1 . . . . . 241 ASP H . 52945 1
278 . 1 . 1 73 73 ASP C C 13 179.215 0.000 . 1 . . . . . 241 ASP C . 52945 1
279 . 1 . 1 73 73 ASP CA C 13 57.791 0.000 . 1 . . . . . 241 ASP CA . 52945 1
280 . 1 . 1 73 73 ASP CB C 13 40.259 0.000 . 1 . . . . . 241 ASP CB . 52945 1
281 . 1 . 1 73 73 ASP N N 15 121.438 0.061 . 1 . . . . . 241 ASP N . 52945 1
282 . 1 . 1 74 74 ASP H H 1 8.196 0.008 . 1 . . . . . 242 ASP H . 52945 1
283 . 1 . 1 74 74 ASP C C 13 179.079 0.008 . 1 . . . . . 242 ASP C . 52945 1
284 . 1 . 1 74 74 ASP CA C 13 56.816 0.020 . 1 . . . . . 242 ASP CA . 52945 1
285 . 1 . 1 74 74 ASP CB C 13 42.363 0.011 . 1 . . . . . 242 ASP CB . 52945 1
286 . 1 . 1 74 74 ASP N N 15 119.642 0.026 . 1 . . . . . 242 ASP N . 52945 1
287 . 1 . 1 75 75 VAL H H 1 7.690 0.002 . 1 . . . . . 243 VAL H . 52945 1
288 . 1 . 1 75 75 VAL C C 13 177.818 0.008 . 1 . . . . . 243 VAL C . 52945 1
289 . 1 . 1 75 75 VAL CA C 13 66.212 0.026 . 1 . . . . . 243 VAL CA . 52945 1
290 . 1 . 1 75 75 VAL CB C 13 31.330 0.086 . 1 . . . . . 243 VAL CB . 52945 1
291 . 1 . 1 75 75 VAL N N 15 118.507 0.031 . 1 . . . . . 243 VAL N . 52945 1
292 . 1 . 1 76 76 LYS H H 1 7.950 0.011 . 1 . . . . . 244 LYS H . 52945 1
293 . 1 . 1 76 76 LYS C C 13 179.322 0.000 . 1 . . . . . 244 LYS C . 52945 1
294 . 1 . 1 76 76 LYS CA C 13 59.513 0.000 . 1 . . . . . 244 LYS CA . 52945 1
295 . 1 . 1 76 76 LYS CB C 13 31.946 0.000 . 1 . . . . . 244 LYS CB . 52945 1
296 . 1 . 1 76 76 LYS N N 15 119.789 0.047 . 1 . . . . . 244 LYS N . 52945 1
297 . 1 . 1 77 77 SER H H 1 7.867 0.004 . 1 . . . . . 245 SER H . 52945 1
298 . 1 . 1 77 77 SER C C 13 175.778 0.008 . 1 . . . . . 245 SER C . 52945 1
299 . 1 . 1 77 77 SER CA C 13 60.857 0.014 . 1 . . . . . 245 SER CA . 52945 1
300 . 1 . 1 77 77 SER CB C 13 63.348 0.010 . 1 . . . . . 245 SER CB . 52945 1
301 . 1 . 1 77 77 SER N N 15 115.059 0.023 . 1 . . . . . 245 SER N . 52945 1
302 . 1 . 1 78 78 LEU H H 1 7.808 0.003 . 1 . . . . . 246 LEU H . 52945 1
303 . 1 . 1 78 78 LEU C C 13 178.733 0.004 . 1 . . . . . 246 LEU C . 52945 1
304 . 1 . 1 78 78 LEU CA C 13 57.079 0.023 . 1 . . . . . 246 LEU CA . 52945 1
305 . 1 . 1 78 78 LEU CB C 13 41.542 0.037 . 1 . . . . . 246 LEU CB . 52945 1
306 . 1 . 1 78 78 LEU N N 15 121.265 0.029 . 1 . . . . . 246 LEU N . 52945 1
307 . 1 . 1 79 79 SER H H 1 8.066 0.003 . 1 . . . . . 247 SER H . 52945 1
308 . 1 . 1 79 79 SER C C 13 175.851 0.020 . 1 . . . . . 247 SER C . 52945 1
309 . 1 . 1 79 79 SER CA C 13 62.282 0.018 . 1 . . . . . 247 SER CA . 52945 1
310 . 1 . 1 79 79 SER N N 15 116.190 0.090 . 1 . . . . . 247 SER N . 52945 1
311 . 1 . 1 80 80 ARG H H 1 7.556 0.002 . 1 . . . . . 248 ARG H . 52945 1
312 . 1 . 1 80 80 ARG C C 13 178.784 0.008 . 1 . . . . . 248 ARG C . 52945 1
313 . 1 . 1 80 80 ARG CA C 13 58.988 0.049 . 1 . . . . . 248 ARG CA . 52945 1
314 . 1 . 1 80 80 ARG CB C 13 30.203 0.015 . 1 . . . . . 248 ARG CB . 52945 1
315 . 1 . 1 80 80 ARG N N 15 119.418 0.093 . 1 . . . . . 248 ARG N . 52945 1
316 . 1 . 1 81 81 VAL H H 1 7.454 0.003 . 1 . . . . . 249 VAL H . 52945 1
317 . 1 . 1 81 81 VAL C C 13 177.352 0.007 . 1 . . . . . 249 VAL C . 52945 1
318 . 1 . 1 81 81 VAL CA C 13 65.788 0.016 . 1 . . . . . 249 VAL CA . 52945 1
319 . 1 . 1 81 81 VAL CB C 13 32.168 0.018 . 1 . . . . . 249 VAL CB . 52945 1
320 . 1 . 1 81 81 VAL N N 15 118.408 0.073 . 1 . . . . . 249 VAL N . 52945 1
321 . 1 . 1 82 82 MET H H 1 7.754 0.013 . 1 . . . . . 250 MET H . 52945 1
322 . 1 . 1 82 82 MET C C 13 177.270 0.003 . 1 . . . . . 250 MET C . 52945 1
323 . 1 . 1 82 82 MET CA C 13 59.661 0.054 . 1 . . . . . 250 MET CA . 52945 1
324 . 1 . 1 82 82 MET CB C 13 33.193 0.030 . 1 . . . . . 250 MET CB . 52945 1
325 . 1 . 1 82 82 MET N N 15 115.380 0.029 . 1 . . . . . 250 MET N . 52945 1
326 . 1 . 1 83 83 ILE H H 1 7.674 0.018 . 1 . . . . . 251 ILE H . 52945 1
327 . 1 . 1 83 83 ILE C C 13 179.186 0.004 . 1 . . . . . 251 ILE C . 52945 1
328 . 1 . 1 83 83 ILE CA C 13 64.029 0.034 . 1 . . . . . 251 ILE CA . 52945 1
329 . 1 . 1 83 83 ILE CB C 13 38.011 0.013 . 1 . . . . . 251 ILE CB . 52945 1
330 . 1 . 1 83 83 ILE N N 15 115.796 0.048 . 1 . . . . . 251 ILE N . 52945 1
331 . 1 . 1 84 84 HIS H H 1 7.465 0.015 . 1 . . . . . 252 HIS H . 52945 1
332 . 1 . 1 84 84 HIS C C 13 177.378 0.006 . 1 . . . . . 252 HIS C . 52945 1
333 . 1 . 1 84 84 HIS CA C 13 59.499 0.035 . 1 . . . . . 252 HIS CA . 52945 1
334 . 1 . 1 84 84 HIS CB C 13 30.913 0.008 . 1 . . . . . 252 HIS CB . 52945 1
335 . 1 . 1 84 84 HIS N N 15 119.070 0.034 . 1 . . . . . 252 HIS N . 52945 1
336 . 1 . 1 85 85 VAL H H 1 7.610 0.005 . 1 . . . . . 253 VAL H . 52945 1
337 . 1 . 1 85 85 VAL C C 13 174.811 0.000 . 1 . . . . . 253 VAL C . 52945 1
338 . 1 . 1 85 85 VAL CA C 13 65.174 0.011 . 1 . . . . . 253 VAL CA . 52945 1
339 . 1 . 1 85 85 VAL CB C 13 31.220 0.062 . 1 . . . . . 253 VAL CB . 52945 1
340 . 1 . 1 85 85 VAL N N 15 120.948 0.041 . 1 . . . . . 253 VAL N . 52945 1
341 . 1 . 1 86 86 PHE H H 1 6.815 0.004 . 1 . . . . . 254 PHE H . 52945 1
342 . 1 . 1 86 86 PHE C C 13 178.133 0.007 . 1 . . . . . 254 PHE C . 52945 1
343 . 1 . 1 86 86 PHE CA C 13 56.410 0.068 . 1 . . . . . 254 PHE CA . 52945 1
344 . 1 . 1 86 86 PHE CB C 13 39.294 0.005 . 1 . . . . . 254 PHE CB . 52945 1
345 . 1 . 1 86 86 PHE N N 15 111.609 0.042 . 1 . . . . . 254 PHE N . 52945 1
346 . 1 . 1 87 87 SER H H 1 7.574 0.011 . 1 . . . . . 255 SER H . 52945 1
347 . 1 . 1 87 87 SER C C 13 174.161 0.003 . 1 . . . . . 255 SER C . 52945 1
348 . 1 . 1 87 87 SER CA C 13 61.670 0.175 . 1 . . . . . 255 SER CA . 52945 1
349 . 1 . 1 87 87 SER CB C 13 63.035 0.086 . 1 . . . . . 255 SER CB . 52945 1
350 . 1 . 1 87 87 SER N N 15 117.263 0.038 . 1 . . . . . 255 SER N . 52945 1
351 . 1 . 1 88 88 ASP H H 1 8.071 0.014 . 1 . . . . . 256 ASP H . 52945 1
352 . 1 . 1 88 88 ASP C C 13 177.014 0.014 . 1 . . . . . 256 ASP C . 52945 1
353 . 1 . 1 88 88 ASP CA C 13 53.643 0.048 . 1 . . . . . 256 ASP CA . 52945 1
354 . 1 . 1 88 88 ASP CB C 13 39.825 0.018 . 1 . . . . . 256 ASP CB . 52945 1
355 . 1 . 1 88 88 ASP N N 15 120.645 0.031 . 1 . . . . . 256 ASP N . 52945 1
356 . 1 . 1 89 89 GLY H H 1 8.064 0.004 . 1 . . . . . 257 GLY H . 52945 1
357 . 1 . 1 89 89 GLY C C 13 174.407 0.001 . 1 . . . . . 257 GLY C . 52945 1
358 . 1 . 1 89 89 GLY CA C 13 45.512 0.042 . 1 . . . . . 257 GLY CA . 52945 1
359 . 1 . 1 89 89 GLY N N 15 106.707 0.045 . 1 . . . . . 257 GLY N . 52945 1
360 . 1 . 1 90 90 VAL H H 1 7.751 0.003 . 1 . . . . . 258 VAL H . 52945 1
361 . 1 . 1 90 90 VAL C C 13 174.808 0.009 . 1 . . . . . 258 VAL C . 52945 1
362 . 1 . 1 90 90 VAL CA C 13 62.632 0.021 . 1 . . . . . 258 VAL CA . 52945 1
363 . 1 . 1 90 90 VAL CB C 13 32.343 0.072 . 1 . . . . . 258 VAL CB . 52945 1
364 . 1 . 1 90 90 VAL N N 15 124.354 0.015 . 1 . . . . . 258 VAL N . 52945 1
365 . 1 . 1 91 91 THR H H 1 7.848 0.008 . 1 . . . . . 259 THR H . 52945 1
366 . 1 . 1 91 91 THR C C 13 171.656 0.005 . 1 . . . . . 259 THR C . 52945 1
367 . 1 . 1 91 91 THR CA C 13 62.632 0.008 . 1 . . . . . 259 THR CA . 52945 1
368 . 1 . 1 91 91 THR CB C 13 69.255 0.004 . 1 . . . . . 259 THR CB . 52945 1
369 . 1 . 1 91 91 THR N N 15 121.620 0.054 . 1 . . . . . 259 THR N . 52945 1
370 . 1 . 1 92 92 ASN H H 1 6.191 0.002 . 1 . . . . . 260 ASN H . 52945 1
371 . 1 . 1 92 92 ASN C C 13 174.682 0.004 . 1 . . . . . 260 ASN C . 52945 1
372 . 1 . 1 92 92 ASN CA C 13 52.238 0.029 . 1 . . . . . 260 ASN CA . 52945 1
373 . 1 . 1 92 92 ASN CB C 13 39.487 0.030 . 1 . . . . . 260 ASN CB . 52945 1
374 . 1 . 1 92 92 ASN N N 15 114.535 0.029 . 1 . . . . . 260 ASN N . 52945 1
375 . 1 . 1 93 93 TRP H H 1 9.096 0.004 . 1 . . . . . 261 TRP H . 52945 1
376 . 1 . 1 93 93 TRP C C 13 179.568 0.007 . 1 . . . . . 261 TRP C . 52945 1
377 . 1 . 1 93 93 TRP CA C 13 59.585 0.012 . 1 . . . . . 261 TRP CA . 52945 1
378 . 1 . 1 93 93 TRP CB C 13 30.654 0.041 . 1 . . . . . 261 TRP CB . 52945 1
379 . 1 . 1 93 93 TRP N N 15 119.021 0.036 . 1 . . . . . 261 TRP N . 52945 1
380 . 1 . 1 94 94 GLY H H 1 8.902 0.062 . 1 . . . . . 262 GLY H . 52945 1
381 . 1 . 1 94 94 GLY C C 13 177.673 0.000 . 1 . . . . . 262 GLY C . 52945 1
382 . 1 . 1 94 94 GLY CA C 13 47.675 0.000 . 1 . . . . . 262 GLY CA . 52945 1
383 . 1 . 1 94 94 GLY N N 15 109.180 0.097 . 1 . . . . . 262 GLY N . 52945 1
384 . 1 . 1 95 95 ARG H H 1 9.176 0.004 . 1 . . . . . 263 ARG H . 52945 1
385 . 1 . 1 95 95 ARG C C 13 177.906 0.007 . 1 . . . . . 263 ARG C . 52945 1
386 . 1 . 1 95 95 ARG CA C 13 61.270 0.000 . 1 . . . . . 263 ARG CA . 52945 1
387 . 1 . 1 95 95 ARG CB C 13 31.445 0.008 . 1 . . . . . 263 ARG CB . 52945 1
388 . 1 . 1 95 95 ARG N N 15 123.303 0.053 . 1 . . . . . 263 ARG N . 52945 1
389 . 1 . 1 96 96 ILE H H 1 7.525 0.006 . 1 . . . . . 264 ILE H . 52945 1
390 . 1 . 1 96 96 ILE C C 13 177.509 0.000 . 1 . . . . . 264 ILE C . 52945 1
391 . 1 . 1 96 96 ILE CA C 13 66.920 0.000 . 1 . . . . . 264 ILE CA . 52945 1
392 . 1 . 1 96 96 ILE CB C 13 38.458 0.000 . 1 . . . . . 264 ILE CB . 52945 1
393 . 1 . 1 96 96 ILE N N 15 118.598 0.036 . 1 . . . . . 264 ILE N . 52945 1
394 . 1 . 1 97 97 VAL H H 1 9.464 0.006 . 1 . . . . . 265 VAL H . 52945 1
395 . 1 . 1 97 97 VAL C C 13 178.399 0.008 . 1 . . . . . 265 VAL C . 52945 1
396 . 1 . 1 97 97 VAL CA C 13 66.070 0.007 . 1 . . . . . 265 VAL CA . 52945 1
397 . 1 . 1 97 97 VAL CB C 13 31.910 0.002 . 1 . . . . . 265 VAL CB . 52945 1
398 . 1 . 1 97 97 VAL N N 15 118.899 0.037 . 1 . . . . . 265 VAL N . 52945 1
399 . 1 . 1 98 98 THR H H 1 8.257 0.006 . 1 . . . . . 266 THR H . 52945 1
400 . 1 . 1 98 98 THR C C 13 175.500 0.000 . 1 . . . . . 266 THR C . 52945 1
401 . 1 . 1 98 98 THR CA C 13 67.498 0.034 . 1 . . . . . 266 THR CA . 52945 1
402 . 1 . 1 98 98 THR CB C 13 69.207 0.031 . 1 . . . . . 266 THR CB . 52945 1
403 . 1 . 1 98 98 THR N N 15 124.108 0.070 . 1 . . . . . 266 THR N . 52945 1
404 . 1 . 1 99 99 LEU H H 1 8.158 0.002 . 1 . . . . . 267 LEU H . 52945 1
405 . 1 . 1 99 99 LEU C C 13 178.598 0.002 . 1 . . . . . 267 LEU C . 52945 1
406 . 1 . 1 99 99 LEU CA C 13 58.899 0.041 . 1 . . . . . 267 LEU CA . 52945 1
407 . 1 . 1 99 99 LEU CB C 13 41.849 0.024 . 1 . . . . . 267 LEU CB . 52945 1
408 . 1 . 1 99 99 LEU N N 15 122.858 0.043 . 1 . . . . . 267 LEU N . 52945 1
409 . 1 . 1 100 100 ILE H H 1 8.072 0.003 . 1 . . . . . 268 ILE H . 52945 1
410 . 1 . 1 100 100 ILE C C 13 177.390 0.005 . 1 . . . . . 268 ILE C . 52945 1
411 . 1 . 1 100 100 ILE CA C 13 66.742 0.019 . 1 . . . . . 268 ILE CA . 52945 1
412 . 1 . 1 100 100 ILE CB C 13 38.559 0.015 . 1 . . . . . 268 ILE CB . 52945 1
413 . 1 . 1 100 100 ILE N N 15 117.842 0.042 . 1 . . . . . 268 ILE N . 52945 1
414 . 1 . 1 101 101 SER H H 1 8.643 0.010 . 1 . . . . . 269 SER H . 52945 1
415 . 1 . 1 101 101 SER C C 13 175.791 0.000 . 1 . . . . . 269 SER C . 52945 1
416 . 1 . 1 101 101 SER CA C 13 63.543 0.122 . 1 . . . . . 269 SER CA . 52945 1
417 . 1 . 1 101 101 SER N N 15 116.687 0.055 . 1 . . . . . 269 SER N . 52945 1
418 . 1 . 1 102 102 PHE H H 1 8.914 0.005 . 1 . . . . . 270 PHE H . 52945 1
419 . 1 . 1 102 102 PHE C C 13 177.211 0.006 . 1 . . . . . 270 PHE C . 52945 1
420 . 1 . 1 102 102 PHE CA C 13 60.927 0.039 . 1 . . . . . 270 PHE CA . 52945 1
421 . 1 . 1 102 102 PHE CB C 13 38.748 0.028 . 1 . . . . . 270 PHE CB . 52945 1
422 . 1 . 1 102 102 PHE N N 15 123.118 0.015 . 1 . . . . . 270 PHE N . 52945 1
423 . 1 . 1 103 103 GLY H H 1 8.512 0.006 . 1 . . . . . 271 GLY H . 52945 1
424 . 1 . 1 103 103 GLY C C 13 174.559 0.000 . 1 . . . . . 271 GLY C . 52945 1
425 . 1 . 1 103 103 GLY CA C 13 47.644 0.000 . 1 . . . . . 271 GLY CA . 52945 1
426 . 1 . 1 103 103 GLY N N 15 107.156 0.020 . 1 . . . . . 271 GLY N . 52945 1
427 . 1 . 1 104 104 ALA H H 1 8.442 0.004 . 1 . . . . . 272 ALA H . 52945 1
428 . 1 . 1 104 104 ALA C C 13 177.581 0.000 . 1 . . . . . 272 ALA C . 52945 1
429 . 1 . 1 104 104 ALA CA C 13 55.647 0.000 . 1 . . . . . 272 ALA CA . 52945 1
430 . 1 . 1 104 104 ALA CB C 13 18.801 0.000 . 1 . . . . . 272 ALA CB . 52945 1
431 . 1 . 1 104 104 ALA N N 15 125.087 0.056 . 1 . . . . . 272 ALA N . 52945 1
432 . 1 . 1 105 105 PHE H H 1 8.003 0.005 . 1 . . . . . 273 PHE H . 52945 1
433 . 1 . 1 105 105 PHE C C 13 178.919 0.010 . 1 . . . . . 273 PHE C . 52945 1
434 . 1 . 1 105 105 PHE CA C 13 62.671 0.021 . 1 . . . . . 273 PHE CA . 52945 1
435 . 1 . 1 105 105 PHE CB C 13 40.323 0.012 . 1 . . . . . 273 PHE CB . 52945 1
436 . 1 . 1 105 105 PHE N N 15 122.265 0.018 . 1 . . . . . 273 PHE N . 52945 1
437 . 1 . 1 106 106 VAL H H 1 8.556 0.005 . 1 . . . . . 274 VAL H . 52945 1
438 . 1 . 1 106 106 VAL C C 13 177.345 0.003 . 1 . . . . . 274 VAL C . 52945 1
439 . 1 . 1 106 106 VAL CA C 13 66.282 0.059 . 1 . . . . . 274 VAL CA . 52945 1
440 . 1 . 1 106 106 VAL CB C 13 30.974 0.078 . 1 . . . . . 274 VAL CB . 52945 1
441 . 1 . 1 106 106 VAL N N 15 120.134 0.049 . 1 . . . . . 274 VAL N . 52945 1
442 . 1 . 1 107 107 ALA H H 1 8.738 0.007 . 1 . . . . . 275 ALA H . 52945 1
443 . 1 . 1 107 107 ALA C C 13 178.570 0.000 . 1 . . . . . 275 ALA C . 52945 1
444 . 1 . 1 107 107 ALA CA C 13 55.778 0.000 . 1 . . . . . 275 ALA CA . 52945 1
445 . 1 . 1 107 107 ALA CB C 13 18.161 0.000 . 1 . . . . . 275 ALA CB . 52945 1
446 . 1 . 1 107 107 ALA N N 15 124.062 0.078 . 1 . . . . . 275 ALA N . 52945 1
447 . 1 . 1 108 108 LYS H H 1 7.873 0.007 . 1 . . . . . 276 LYS H . 52945 1
448 . 1 . 1 108 108 LYS C C 13 179.015 0.006 . 1 . . . . . 276 LYS C . 52945 1
449 . 1 . 1 108 108 LYS CA C 13 60.505 0.062 . 1 . . . . . 276 LYS CA . 52945 1
450 . 1 . 1 108 108 LYS CB C 13 32.413 0.004 . 1 . . . . . 276 LYS CB . 52945 1
451 . 1 . 1 108 108 LYS N N 15 116.397 0.013 . 1 . . . . . 276 LYS N . 52945 1
452 . 1 . 1 109 109 HIS H H 1 7.209 0.009 . 1 . . . . . 277 HIS H . 52945 1
453 . 1 . 1 109 109 HIS C C 13 177.173 0.006 . 1 . . . . . 277 HIS C . 52945 1
454 . 1 . 1 109 109 HIS CA C 13 59.720 0.115 . 1 . . . . . 277 HIS CA . 52945 1
455 . 1 . 1 109 109 HIS CB C 13 30.726 0.066 . 1 . . . . . 277 HIS CB . 52945 1
456 . 1 . 1 109 109 HIS N N 15 121.006 0.028 . 1 . . . . . 277 HIS N . 52945 1
457 . 1 . 1 110 110 LEU H H 1 8.626 0.005 . 1 . . . . . 278 LEU H . 52945 1
458 . 1 . 1 110 110 LEU C C 13 179.019 0.012 . 1 . . . . . 278 LEU C . 52945 1
459 . 1 . 1 110 110 LEU CA C 13 57.301 0.012 . 1 . . . . . 278 LEU CA . 52945 1
460 . 1 . 1 110 110 LEU CB C 13 39.938 0.032 . 1 . . . . . 278 LEU CB . 52945 1
461 . 1 . 1 110 110 LEU N N 15 118.535 0.023 . 1 . . . . . 278 LEU N . 52945 1
462 . 1 . 1 111 111 LYS H H 1 7.790 0.002 . 1 . . . . . 279 LYS H . 52945 1
463 . 1 . 1 111 111 LYS C C 13 179.238 0.002 . 1 . . . . . 279 LYS C . 52945 1
464 . 1 . 1 111 111 LYS CA C 13 59.171 0.077 . 1 . . . . . 279 LYS CA . 52945 1
465 . 1 . 1 111 111 LYS CB C 13 32.426 0.019 . 1 . . . . . 279 LYS CB . 52945 1
466 . 1 . 1 111 111 LYS N N 15 118.245 0.017 . 1 . . . . . 279 LYS N . 52945 1
467 . 1 . 1 112 112 THR H H 1 7.845 0.003 . 1 . . . . . 280 THR H . 52945 1
468 . 1 . 1 112 112 THR C C 13 175.820 0.019 . 1 . . . . . 280 THR C . 52945 1
469 . 1 . 1 112 112 THR CA C 13 66.183 0.018 . 1 . . . . . 280 THR CA . 52945 1
470 . 1 . 1 112 112 THR CB C 13 68.908 0.016 . 1 . . . . . 280 THR CB . 52945 1
471 . 1 . 1 112 112 THR N N 15 116.424 0.053 . 1 . . . . . 280 THR N . 52945 1
472 . 1 . 1 113 113 ILE H H 1 7.291 0.005 . 1 . . . . . 281 ILE H . 52945 1
473 . 1 . 1 113 113 ILE C C 13 175.048 0.010 . 1 . . . . . 281 ILE C . 52945 1
474 . 1 . 1 113 113 ILE CA C 13 61.259 0.010 . 1 . . . . . 281 ILE CA . 52945 1
475 . 1 . 1 113 113 ILE CB C 13 37.059 0.007 . 1 . . . . . 281 ILE CB . 52945 1
476 . 1 . 1 113 113 ILE N N 15 112.438 0.108 . 1 . . . . . 281 ILE N . 52945 1
477 . 1 . 1 114 114 ASN H H 1 7.815 0.003 . 1 . . . . . 282 ASN H . 52945 1
478 . 1 . 1 114 114 ASN C C 13 175.071 0.000 . 1 . . . . . 282 ASN C . 52945 1
479 . 1 . 1 114 114 ASN CA C 13 54.785 0.008 . 1 . . . . . 282 ASN CA . 52945 1
480 . 1 . 1 114 114 ASN CB C 13 36.800 0.031 . 1 . . . . . 282 ASN CB . 52945 1
481 . 1 . 1 114 114 ASN N N 15 116.195 0.033 . 1 . . . . . 282 ASN N . 52945 1
482 . 1 . 1 115 115 GLN H H 1 8.457 0.005 . 1 . . . . . 283 GLN H . 52945 1
483 . 1 . 1 115 115 GLN C C 13 176.854 0.007 . 1 . . . . . 283 GLN C . 52945 1
484 . 1 . 1 115 115 GLN CA C 13 53.553 0.027 . 1 . . . . . 283 GLN CA . 52945 1
485 . 1 . 1 115 115 GLN CB C 13 28.106 0.006 . 1 . . . . . 283 GLN CB . 52945 1
486 . 1 . 1 115 115 GLN N N 15 117.246 0.088 . 1 . . . . . 283 GLN N . 52945 1
487 . 1 . 1 116 116 GLU H H 1 8.784 0.020 . 1 . . . . . 284 GLU H . 52945 1
488 . 1 . 1 116 116 GLU C C 13 178.663 0.008 . 1 . . . . . 284 GLU C . 52945 1
489 . 1 . 1 116 116 GLU CA C 13 59.856 0.036 . 1 . . . . . 284 GLU CA . 52945 1
490 . 1 . 1 116 116 GLU CB C 13 29.455 0.004 . 1 . . . . . 284 GLU CB . 52945 1
491 . 1 . 1 116 116 GLU N N 15 120.379 0.045 . 1 . . . . . 284 GLU N . 52945 1
492 . 1 . 1 117 117 SER H H 1 8.541 0.015 . 1 . . . . . 285 SER H . 52945 1
493 . 1 . 1 117 117 SER C C 13 175.025 0.017 . 1 . . . . . 285 SER C . 52945 1
494 . 1 . 1 117 117 SER CB C 13 62.182 0.046 . 1 . . . . . 285 SER CB . 52945 1
495 . 1 . 1 117 117 SER N N 15 115.290 0.057 . 1 . . . . . 285 SER N . 52945 1
496 . 1 . 1 118 118 ALA H H 1 7.830 0.005 . 1 . . . . . 286 ALA H . 52945 1
497 . 1 . 1 118 118 ALA C C 13 176.767 0.011 . 1 . . . . . 286 ALA C . 52945 1
498 . 1 . 1 118 118 ALA CA C 13 52.485 0.022 . 1 . . . . . 286 ALA CA . 52945 1
499 . 1 . 1 118 118 ALA CB C 13 18.735 0.005 . 1 . . . . . 286 ALA CB . 52945 1
500 . 1 . 1 118 118 ALA N N 15 122.403 0.028 . 1 . . . . . 286 ALA N . 52945 1
501 . 1 . 1 119 119 ILE H H 1 7.764 0.010 . 1 . . . . . 287 ILE H . 52945 1
502 . 1 . 1 119 119 ILE C C 13 176.526 0.067 . 1 . . . . . 287 ILE C . 52945 1
503 . 1 . 1 119 119 ILE CA C 13 66.225 0.031 . 1 . . . . . 287 ILE CA . 52945 1
504 . 1 . 1 119 119 ILE CB C 13 37.400 0.016 . 1 . . . . . 287 ILE CB . 52945 1
505 . 1 . 1 119 119 ILE N N 15 119.712 0.056 . 1 . . . . . 287 ILE N . 52945 1
506 . 1 . 1 120 120 GLU H H 1 8.116 0.013 . 1 . . . . . 288 GLU H . 52945 1
507 . 1 . 1 120 120 GLU CA C 13 61.621 0.000 . 1 . . . . . 288 GLU CA . 52945 1
508 . 1 . 1 120 120 GLU CB C 13 26.532 0.000 . 1 . . . . . 288 GLU CB . 52945 1
509 . 1 . 1 120 120 GLU N N 15 119.403 0.063 . 1 . . . . . 288 GLU N . 52945 1
510 . 1 . 1 121 121 PRO C C 13 179.319 0.019 . 1 . . . . . 289 PRO C . 52945 1
511 . 1 . 1 121 121 PRO CA C 13 65.693 0.017 . 1 . . . . . 289 PRO CA . 52945 1
512 . 1 . 1 121 121 PRO CB C 13 30.529 0.027 . 1 . . . . . 289 PRO CB . 52945 1
513 . 1 . 1 122 122 LEU H H 1 7.538 0.004 . 1 . . . . . 290 LEU H . 52945 1
514 . 1 . 1 122 122 LEU C C 13 177.542 0.000 . 1 . . . . . 290 LEU C . 52945 1
515 . 1 . 1 122 122 LEU CA C 13 58.445 0.000 . 1 . . . . . 290 LEU CA . 52945 1
516 . 1 . 1 122 122 LEU CB C 13 41.184 0.000 . 1 . . . . . 290 LEU CB . 52945 1
517 . 1 . 1 122 122 LEU N N 15 121.567 0.030 . 1 . . . . . 290 LEU N . 52945 1
518 . 1 . 1 123 123 ALA H H 1 8.465 0.005 . 1 . . . . . 291 ALA H . 52945 1
519 . 1 . 1 123 123 ALA C C 13 180.871 0.004 . 1 . . . . . 291 ALA C . 52945 1
520 . 1 . 1 123 123 ALA CA C 13 55.422 0.049 . 1 . . . . . 291 ALA CA . 52945 1
521 . 1 . 1 123 123 ALA CB C 13 18.030 0.009 . 1 . . . . . 291 ALA CB . 52945 1
522 . 1 . 1 123 123 ALA N N 15 121.821 0.036 . 1 . . . . . 291 ALA N . 52945 1
523 . 1 . 1 124 124 GLU H H 1 8.663 0.009 . 1 . . . . . 292 GLU H . 52945 1
524 . 1 . 1 124 124 GLU C C 13 177.779 0.006 . 1 . . . . . 292 GLU C . 52945 1
525 . 1 . 1 124 124 GLU CA C 13 60.125 0.034 . 1 . . . . . 292 GLU CA . 52945 1
526 . 1 . 1 124 124 GLU CB C 13 29.623 0.019 . 1 . . . . . 292 GLU CB . 52945 1
527 . 1 . 1 124 124 GLU N N 15 120.423 0.018 . 1 . . . . . 292 GLU N . 52945 1
528 . 1 . 1 125 125 SER H H 1 8.345 0.003 . 1 . . . . . 293 SER H . 52945 1
529 . 1 . 1 125 125 SER C C 13 177.012 0.082 . 1 . . . . . 293 SER C . 52945 1
530 . 1 . 1 125 125 SER CA C 13 62.800 0.535 . 1 . . . . . 293 SER CA . 52945 1
531 . 1 . 1 125 125 SER N N 15 116.084 0.025 . 1 . . . . . 293 SER N . 52945 1
532 . 1 . 1 126 126 ILE H H 1 8.039 0.008 . 1 . . . . . 294 ILE H . 52945 1
533 . 1 . 1 126 126 ILE CA C 13 65.701 0.016 . 1 . . . . . 294 ILE CA . 52945 1
534 . 1 . 1 126 126 ILE CB C 13 38.873 0.026 . 1 . . . . . 294 ILE CB . 52945 1
535 . 1 . 1 126 126 ILE N N 15 120.222 0.031 . 1 . . . . . 294 ILE N . 52945 1
536 . 1 . 1 127 127 THR H H 1 7.926 0.005 . 1 . . . . . 295 THR H . 52945 1
537 . 1 . 1 127 127 THR C C 13 179.025 0.000 . 1 . . . . . 295 THR C . 52945 1
538 . 1 . 1 127 127 THR CA C 13 68.962 0.013 . 1 . . . . . 295 THR CA . 52945 1
539 . 1 . 1 127 127 THR CB C 13 67.674 0.041 . 1 . . . . . 295 THR CB . 52945 1
540 . 1 . 1 127 127 THR N N 15 116.019 0.072 . 1 . . . . . 295 THR N . 52945 1
541 . 1 . 1 128 128 ASP H H 1 8.935 0.007 . 1 . . . . . 296 ASP H . 52945 1
542 . 1 . 1 128 128 ASP C C 13 178.204 0.004 . 1 . . . . . 296 ASP C . 52945 1
543 . 1 . 1 128 128 ASP CA C 13 58.359 0.066 . 1 . . . . . 296 ASP CA . 52945 1
544 . 1 . 1 128 128 ASP CB C 13 42.012 0.070 . 1 . . . . . 296 ASP CB . 52945 1
545 . 1 . 1 128 128 ASP N N 15 120.668 0.073 . 1 . . . . . 296 ASP N . 52945 1
546 . 1 . 1 129 129 VAL H H 1 7.896 0.006 . 1 . . . . . 297 VAL H . 52945 1
547 . 1 . 1 129 129 VAL C C 13 178.728 0.000 . 1 . . . . . 297 VAL C . 52945 1
548 . 1 . 1 129 129 VAL CA C 13 66.902 0.000 . 1 . . . . . 297 VAL CA . 52945 1
549 . 1 . 1 129 129 VAL CB C 13 31.553 0.000 . 1 . . . . . 297 VAL CB . 52945 1
550 . 1 . 1 129 129 VAL N N 15 117.345 0.034 . 1 . . . . . 297 VAL N . 52945 1
551 . 1 . 1 130 130 LEU H H 1 7.993 0.004 . 1 . . . . . 298 LEU H . 52945 1
552 . 1 . 1 130 130 LEU C C 13 176.568 0.005 . 1 . . . . . 298 LEU C . 52945 1
553 . 1 . 1 130 130 LEU CA C 13 58.580 0.006 . 1 . . . . . 298 LEU CA . 52945 1
554 . 1 . 1 130 130 LEU CB C 13 42.586 0.013 . 1 . . . . . 298 LEU CB . 52945 1
555 . 1 . 1 130 130 LEU N N 15 119.693 0.042 . 1 . . . . . 298 LEU N . 52945 1
556 . 1 . 1 131 131 VAL H H 1 8.799 0.007 . 1 . . . . . 299 VAL H . 52945 1
557 . 1 . 1 131 131 VAL C C 13 177.015 0.009 . 1 . . . . . 299 VAL C . 52945 1
558 . 1 . 1 131 131 VAL CA C 13 65.649 0.014 . 1 . . . . . 299 VAL CA . 52945 1
559 . 1 . 1 131 131 VAL CB C 13 31.651 0.020 . 1 . . . . . 299 VAL CB . 52945 1
560 . 1 . 1 131 131 VAL N N 15 113.855 0.079 . 1 . . . . . 299 VAL N . 52945 1
561 . 1 . 1 132 132 ARG H H 1 8.560 0.009 . 1 . . . . . 300 ARG H . 52945 1
562 . 1 . 1 132 132 ARG C C 13 179.034 0.003 . 1 . . . . . 300 ARG C . 52945 1
563 . 1 . 1 132 132 ARG CA C 13 59.043 0.022 . 1 . . . . . 300 ARG CA . 52945 1
564 . 1 . 1 132 132 ARG CB C 13 30.270 0.074 . 1 . . . . . 300 ARG CB . 52945 1
565 . 1 . 1 132 132 ARG N N 15 116.394 0.025 . 1 . . . . . 300 ARG N . 52945 1
566 . 1 . 1 133 133 THR H H 1 7.507 0.005 . 1 . . . . . 301 THR H . 52945 1
567 . 1 . 1 133 133 THR C C 13 176.253 0.000 . 1 . . . . . 301 THR C . 52945 1
568 . 1 . 1 133 133 THR CA C 13 64.311 0.000 . 1 . . . . . 301 THR CA . 52945 1
569 . 1 . 1 133 133 THR CB C 13 69.501 0.000 . 1 . . . . . 301 THR CB . 52945 1
570 . 1 . 1 133 133 THR N N 15 108.013 0.075 . 1 . . . . . 301 THR N . 52945 1
571 . 1 . 1 134 134 LYS H H 1 7.372 0.005 . 1 . . . . . 302 LYS H . 52945 1
572 . 1 . 1 134 134 LYS C C 13 176.021 0.005 . 1 . . . . . 302 LYS C . 52945 1
573 . 1 . 1 134 134 LYS CA C 13 52.955 0.018 . 1 . . . . . 302 LYS CA . 52945 1
574 . 1 . 1 134 134 LYS CB C 13 30.283 0.047 . 1 . . . . . 302 LYS CB . 52945 1
575 . 1 . 1 134 134 LYS N N 15 118.420 0.049 . 1 . . . . . 302 LYS N . 52945 1
576 . 1 . 1 135 135 ARG H H 1 7.020 0.003 . 1 . . . . . 303 ARG H . 52945 1
577 . 1 . 1 135 135 ARG C C 13 177.017 0.000 . 1 . . . . . 303 ARG C . 52945 1
578 . 1 . 1 135 135 ARG CA C 13 61.125 0.000 . 1 . . . . . 303 ARG CA . 52945 1
579 . 1 . 1 135 135 ARG N N 15 120.005 0.023 . 1 . . . . . 303 ARG N . 52945 1
580 . 1 . 1 136 136 ASP H H 1 8.369 0.005 . 1 . . . . . 304 ASP H . 52945 1
581 . 1 . 1 136 136 ASP C C 13 178.154 0.003 . 1 . . . . . 304 ASP C . 52945 1
582 . 1 . 1 136 136 ASP CA C 13 57.737 0.031 . 1 . . . . . 304 ASP CA . 52945 1
583 . 1 . 1 136 136 ASP CB C 13 40.257 0.014 . 1 . . . . . 304 ASP CB . 52945 1
584 . 1 . 1 136 136 ASP N N 15 114.916 0.023 . 1 . . . . . 304 ASP N . 52945 1
585 . 1 . 1 137 137 TRP H H 1 7.763 0.010 . 1 . . . . . 305 TRP H . 52945 1
586 . 1 . 1 137 137 TRP C C 13 177.816 0.011 . 1 . . . . . 305 TRP C . 52945 1
587 . 1 . 1 137 137 TRP CA C 13 62.552 0.008 . 1 . . . . . 305 TRP CA . 52945 1
588 . 1 . 1 137 137 TRP CB C 13 29.345 0.034 . 1 . . . . . 305 TRP CB . 52945 1
589 . 1 . 1 137 137 TRP N N 15 121.741 0.059 . 1 . . . . . 305 TRP N . 52945 1
590 . 1 . 1 138 138 LEU H H 1 8.451 0.009 . 1 . . . . . 306 LEU H . 52945 1
591 . 1 . 1 138 138 LEU C C 13 179.784 0.015 . 1 . . . . . 306 LEU C . 52945 1
592 . 1 . 1 138 138 LEU CA C 13 58.602 0.015 . 1 . . . . . 306 LEU CA . 52945 1
593 . 1 . 1 138 138 LEU CB C 13 43.047 0.021 . 1 . . . . . 306 LEU CB . 52945 1
594 . 1 . 1 138 138 LEU N N 15 117.282 0.043 . 1 . . . . . 306 LEU N . 52945 1
595 . 1 . 1 139 139 VAL H H 1 8.588 0.013 . 1 . . . . . 307 VAL H . 52945 1
596 . 1 . 1 139 139 VAL C C 13 180.600 0.016 . 1 . . . . . 307 VAL C . 52945 1
597 . 1 . 1 139 139 VAL CA C 13 66.724 0.014 . 1 . . . . . 307 VAL CA . 52945 1
598 . 1 . 1 139 139 VAL CB C 13 31.923 0.027 . 1 . . . . . 307 VAL CB . 52945 1
599 . 1 . 1 139 139 VAL N N 15 118.094 0.053 . 1 . . . . . 307 VAL N . 52945 1
600 . 1 . 1 140 140 LYS H H 1 7.703 0.009 . 1 . . . . . 308 LYS H . 52945 1
601 . 1 . 1 140 140 LYS C C 13 177.632 0.000 . 1 . . . . . 308 LYS C . 52945 1
602 . 1 . 1 140 140 LYS CA C 13 59.060 0.000 . 1 . . . . . 308 LYS CA . 52945 1
603 . 1 . 1 140 140 LYS N N 15 122.574 0.040 . 1 . . . . . 308 LYS N . 52945 1
604 . 1 . 1 141 141 GLN H H 1 7.300 0.004 . 1 . . . . . 309 GLN H . 52945 1
605 . 1 . 1 141 141 GLN C C 13 174.706 0.004 . 1 . . . . . 309 GLN C . 52945 1
606 . 1 . 1 141 141 GLN CA C 13 54.464 0.057 . 1 . . . . . 309 GLN CA . 52945 1
607 . 1 . 1 141 141 GLN CB C 13 27.366 0.007 . 1 . . . . . 309 GLN CB . 52945 1
608 . 1 . 1 141 141 GLN N N 15 115.810 0.026 . 1 . . . . . 309 GLN N . 52945 1
609 . 1 . 1 142 142 ARG H H 1 7.669 0.004 . 1 . . . . . 310 ARG H . 52945 1
610 . 1 . 1 142 142 ARG C C 13 177.200 0.000 . 1 . . . . . 310 ARG C . 52945 1
611 . 1 . 1 142 142 ARG CA C 13 57.619 0.000 . 1 . . . . . 310 ARG CA . 52945 1
612 . 1 . 1 142 142 ARG CB C 13 25.789 0.000 . 1 . . . . . 310 ARG CB . 52945 1
613 . 1 . 1 142 142 ARG N N 15 110.311 0.016 . 1 . . . . . 310 ARG N . 52945 1
614 . 1 . 1 143 143 GLY H H 1 8.983 0.010 . 1 . . . . . 311 GLY H . 52945 1
615 . 1 . 1 143 143 GLY C C 13 173.988 0.003 . 1 . . . . . 311 GLY C . 52945 1
616 . 1 . 1 143 143 GLY CA C 13 45.862 0.004 . 1 . . . . . 311 GLY CA . 52945 1
617 . 1 . 1 143 143 GLY N N 15 108.227 0.031 . 1 . . . . . 311 GLY N . 52945 1
618 . 1 . 1 144 144 TRP H H 1 8.979 0.024 . 1 . . . . . 312 TRP H . 52945 1
619 . 1 . 1 144 144 TRP C C 13 177.957 0.007 . 1 . . . . . 312 TRP C . 52945 1
620 . 1 . 1 144 144 TRP CA C 13 59.590 0.000 . 1 . . . . . 312 TRP CA . 52945 1
621 . 1 . 1 144 144 TRP CB C 13 28.636 0.023 . 1 . . . . . 312 TRP CB . 52945 1
622 . 1 . 1 144 144 TRP N N 15 124.264 0.031 . 1 . . . . . 312 TRP N . 52945 1
623 . 1 . 1 145 145 ASP H H 1 8.035 0.007 . 1 . . . . . 313 ASP H . 52945 1
624 . 1 . 1 145 145 ASP C C 13 178.986 0.002 . 1 . . . . . 313 ASP C . 52945 1
625 . 1 . 1 145 145 ASP CA C 13 58.245 0.082 . 1 . . . . . 313 ASP CA . 52945 1
626 . 1 . 1 145 145 ASP CB C 13 40.670 0.040 . 1 . . . . . 313 ASP CB . 52945 1
627 . 1 . 1 145 145 ASP N N 15 119.412 0.093 . 1 . . . . . 313 ASP N . 52945 1
628 . 1 . 1 146 146 GLY H H 1 7.467 0.006 . 1 . . . . . 314 GLY H . 52945 1
629 . 1 . 1 146 146 GLY C C 13 175.874 0.018 . 1 . . . . . 314 GLY C . 52945 1
630 . 1 . 1 146 146 GLY CA C 13 47.012 0.070 . 1 . . . . . 314 GLY CA . 52945 1
631 . 1 . 1 146 146 GLY N N 15 109.924 0.058 . 1 . . . . . 314 GLY N . 52945 1
632 . 1 . 1 147 147 PHE H H 1 7.162 0.010 . 1 . . . . . 315 PHE H . 52945 1
633 . 1 . 1 147 147 PHE C C 13 175.429 0.000 . 1 . . . . . 315 PHE C . 52945 1
634 . 1 . 1 147 147 PHE CA C 13 60.663 0.000 . 1 . . . . . 315 PHE CA . 52945 1
635 . 1 . 1 147 147 PHE CB C 13 38.869 0.000 . 1 . . . . . 315 PHE CB . 52945 1
636 . 1 . 1 147 147 PHE N N 15 124.452 0.059 . 1 . . . . . 315 PHE N . 52945 1
637 . 1 . 1 148 148 VAL H H 1 7.680 0.009 . 1 . . . . . 316 VAL H . 52945 1
638 . 1 . 1 148 148 VAL C C 13 178.696 0.045 . 1 . . . . . 316 VAL C . 52945 1
639 . 1 . 1 148 148 VAL CA C 13 66.219 0.033 . 1 . . . . . 316 VAL CA . 52945 1
640 . 1 . 1 148 148 VAL CB C 13 32.266 0.061 . 1 . . . . . 316 VAL CB . 52945 1
641 . 1 . 1 148 148 VAL N N 15 116.901 0.094 . 1 . . . . . 316 VAL N . 52945 1
642 . 1 . 1 149 149 GLU H H 1 7.705 0.007 . 1 . . . . . 317 GLU H . 52945 1
643 . 1 . 1 149 149 GLU C C 13 178.631 0.001 . 1 . . . . . 317 GLU C . 52945 1
644 . 1 . 1 149 149 GLU CA C 13 59.052 0.009 . 1 . . . . . 317 GLU CA . 52945 1
645 . 1 . 1 149 149 GLU CB C 13 30.029 0.035 . 1 . . . . . 317 GLU CB . 52945 1
646 . 1 . 1 149 149 GLU N N 15 118.003 0.077 . 1 . . . . . 317 GLU N . 52945 1
647 . 1 . 1 150 150 PHE H H 1 8.243 0.010 . 1 . . . . . 318 PHE H . 52945 1
648 . 1 . 1 150 150 PHE C C 13 176.557 0.016 . 1 . . . . . 318 PHE C . 52945 1
649 . 1 . 1 150 150 PHE CA C 13 61.895 0.014 . 1 . . . . . 318 PHE CA . 52945 1
650 . 1 . 1 150 150 PHE CB C 13 39.512 0.010 . 1 . . . . . 318 PHE CB . 52945 1
651 . 1 . 1 150 150 PHE N N 15 120.376 0.016 . 1 . . . . . 318 PHE N . 52945 1
652 . 1 . 1 151 151 PHE H H 1 6.760 0.011 . 1 . . . . . 319 PHE H . 52945 1
653 . 1 . 1 151 151 PHE C C 13 174.560 0.000 . 1 . . . . . 319 PHE C . 52945 1
654 . 1 . 1 151 151 PHE CA C 13 58.109 0.000 . 1 . . . . . 319 PHE CA . 52945 1
655 . 1 . 1 151 151 PHE CB C 13 39.178 0.000 . 1 . . . . . 319 PHE CB . 52945 1
656 . 1 . 1 151 151 PHE N N 15 111.505 0.056 . 1 . . . . . 319 PHE N . 52945 1
657 . 1 . 1 152 152 HIS H H 1 7.243 0.012 . 1 . . . . . 320 HIS H . 52945 1
658 . 1 . 1 152 152 HIS C C 13 174.075 0.002 . 1 . . . . . 320 HIS C . 52945 1
659 . 1 . 1 152 152 HIS CA C 13 57.383 0.010 . 1 . . . . . 320 HIS CA . 52945 1
660 . 1 . 1 152 152 HIS CB C 13 29.315 0.007 . 1 . . . . . 320 HIS CB . 52945 1
661 . 1 . 1 152 152 HIS N N 15 119.409 0.140 . 1 . . . . . 320 HIS N . 52945 1
662 . 1 . 1 153 153 VAL H H 1 7.648 0.003 . 1 . . . . . 321 VAL H . 52945 1
663 . 1 . 1 153 153 VAL C C 13 180.697 0.000 . 1 . . . . . 321 VAL C . 52945 1
664 . 1 . 1 153 153 VAL CA C 13 63.623 0.000 . 1 . . . . . 321 VAL CA . 52945 1
665 . 1 . 1 153 153 VAL CB C 13 33.230 0.000 . 1 . . . . . 321 VAL CB . 52945 1
666 . 1 . 1 153 153 VAL N N 15 125.330 0.169 . 1 . . . . . 321 VAL N . 52945 1
stop_
save_