###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
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 51899
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'CAHS motif 1 and motif 2'
_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
2 '3D HNCO' . . . 51899 1
3 '3D HN(CA)CO' . . . 51899 1
4 '3D CBCA(CO)NH' . . . 51899 1
5 '3D HNCACB' . . . 51899 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 . . 51899 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 19 19 ALA C C 13 175.738 0.01 . . . . . . . 120 ALA CO . 51899 1
2 . 1 . 1 19 19 ALA CA C 13 50.551 0.02 . . . . . . . 120 ALA CA . 51899 1
3 . 1 . 1 19 19 ALA CB C 13 16.343 0.00 . . . . . . . 120 ALA CB . 51899 1
4 . 1 . 1 20 20 THR H H 1 7.982 0.00 . . . . . . . 121 THR H . 51899 1
5 . 1 . 1 20 20 THR C C 13 172.815 0.00 . . . . . . . 121 THR CO . 51899 1
6 . 1 . 1 20 20 THR CA C 13 60.387 0.16 . . . . . . . 121 THR CA . 51899 1
7 . 1 . 1 20 20 THR CB C 13 67.084 0.04 . . . . . . . 121 THR CB . 51899 1
8 . 1 . 1 20 20 THR N N 15 112.665 0.01 . . . . . . . 121 THR N . 51899 1
9 . 1 . 1 21 21 GLU H H 1 8.333 0.00 . . . . . . . 122 GLU H . 51899 1
10 . 1 . 1 21 21 GLU C C 13 174.788 0.00 . . . . . . . 122 GLU CO . 51899 1
11 . 1 . 1 21 21 GLU CA C 13 55.332 0.11 . . . . . . . 122 GLU CA . 51899 1
12 . 1 . 1 21 21 GLU CB C 13 27.037 0.11 . . . . . . . 122 GLU CB . 51899 1
13 . 1 . 1 21 21 GLU N N 15 122.544 0.13 . . . . . . . 122 GLU N . 51899 1
14 . 1 . 1 22 22 ALA H H 1 8.152 0.00 . . . . . . . 123 ALA H . 51899 1
15 . 1 . 1 22 22 ALA C C 13 176.496 0.00 . . . . . . . 123 ALA CO . 51899 1
16 . 1 . 1 22 22 ALA CA C 13 51.503 0.03 . . . . . . . 123 ALA CA . 51899 1
17 . 1 . 1 22 22 ALA CB C 13 15.756 0.01 . . . . . . . 123 ALA CB . 51899 1
18 . 1 . 1 22 22 ALA N N 15 122.470 0.01 . . . . . . . 123 ALA N . 51899 1
19 . 1 . 1 23 23 TYR H H 1 7.905 0.00 . . . . . . . 124 TYR H . 51899 1
20 . 1 . 1 23 23 TYR C C 13 174.192 0.00 . . . . . . . 124 TYR CO . 51899 1
21 . 1 . 1 23 23 TYR CA C 13 56.989 0.02 . . . . . . . 124 TYR CA . 51899 1
22 . 1 . 1 23 23 TYR CB C 13 35.553 0.07 . . . . . . . 124 TYR CB . 51899 1
23 . 1 . 1 23 23 TYR N N 15 119.043 0.02 . . . . . . . 124 TYR N . 51899 1
24 . 1 . 1 24 24 ARG H H 1 7.965 0.00 . . . . . . . 125 ARG H . 51899 1
25 . 1 . 1 24 24 ARG C C 13 175.200 0.00 . . . . . . . 125 ARG CO . 51899 1
26 . 1 . 1 24 24 ARG CA C 13 55.350 0.00 . . . . . . . 125 ARG CA . 51899 1
27 . 1 . 1 24 24 ARG CB C 13 27.584 0.00 . . . . . . . 125 ARG CB . 51899 1
28 . 1 . 1 24 24 ARG N N 15 121.125 0.01 . . . . . . . 125 ARG N . 51899 1
29 . 1 . 1 25 25 LYS H H 1 8.145 0.00 . . . . . . . 126 LYS H . 51899 1
30 . 1 . 1 25 25 LYS C C 13 175.263 0.00 . . . . . . . 126 LYS CO . 51899 1
31 . 1 . 1 25 25 LYS CA C 13 55.230 0.02 . . . . . . . 126 LYS CA . 51899 1
32 . 1 . 1 25 25 LYS CB C 13 29.541 0.03 . . . . . . . 126 LYS CB . 51899 1
33 . 1 . 1 25 25 LYS N N 15 120.401 0.05 . . . . . . . 126 LYS N . 51899 1
34 . 1 . 1 26 26 GLN H H 1 8.025 0.00 . . . . . . . 127 GLN H . 51899 1
35 . 1 . 1 26 26 GLN C C 13 174.892 0.00 . . . . . . . 127 GLN CO . 51899 1
36 . 1 . 1 26 26 GLN CA C 13 55.107 0.06 . . . . . . . 127 GLN CA . 51899 1
37 . 1 . 1 26 26 GLN CB C 13 27.698 2.01 . . . . . . . 127 GLN CB . 51899 1
38 . 1 . 1 26 26 GLN N N 15 120.114 0.04 . . . . . . . 127 GLN N . 51899 1
39 . 1 . 1 27 27 GLN H H 1 8.146 0.00 . . . . . . . 128 GLN H . 51899 1
40 . 1 . 1 27 27 GLN C C 13 175.161 0.00 . . . . . . . 128 GLN CO . 51899 1
41 . 1 . 1 27 27 GLN CA C 13 54.904 0.08 . . . . . . . 128 GLN CA . 51899 1
42 . 1 . 1 27 27 GLN CB C 13 26.066 0.04 . . . . . . . 128 GLN CB . 51899 1
43 . 1 . 1 27 27 GLN N N 15 119.142 0.01 . . . . . . . 128 GLN N . 51899 1
44 . 1 . 1 28 28 GLU H H 1 8.035 0.00 . . . . . . . 129 GLU H . 51899 1
45 . 1 . 1 28 28 GLU C C 13 175.380 0.00 . . . . . . . 129 GLU CO . 51899 1
46 . 1 . 1 28 28 GLU CA C 13 55.606 0.10 . . . . . . . 129 GLU CA . 51899 1
47 . 1 . 1 28 28 GLU CB C 13 26.955 0.11 . . . . . . . 129 GLU CB . 51899 1
48 . 1 . 1 28 28 GLU N N 15 121.360 0.01 . . . . . . . 129 GLU N . 51899 1
49 . 1 . 1 29 29 VAL H H 1 7.981 0.00 . . . . . . . 130 VAL H . 51899 1
50 . 1 . 1 29 29 VAL C C 13 175.635 0.01 . . . . . . . 130 VAL CO . 51899 1
51 . 1 . 1 29 29 VAL CA C 13 62.043 0.03 . . . . . . . 130 VAL CA . 51899 1
52 . 1 . 1 29 29 VAL CB C 13 29.425 0.08 . . . . . . . 130 VAL CB . 51899 1
53 . 1 . 1 29 29 VAL N N 15 120.721 0.04 . . . . . . . 130 VAL N . 51899 1
54 . 1 . 1 30 30 GLU H H 1 8.153 0.00 . . . . . . . 131 GLU H . 51899 1
55 . 1 . 1 30 30 GLU C C 13 175.396 0.00 . . . . . . . 131 GLU CO . 51899 1
56 . 1 . 1 30 30 GLU CA C 13 55.789 0.00 . . . . . . . 131 GLU CA . 51899 1
57 . 1 . 1 30 30 GLU CB C 13 26.671 0.04 . . . . . . . 131 GLU CB . 51899 1
58 . 1 . 1 30 30 GLU N N 15 121.689 0.02 . . . . . . . 131 GLU N . 51899 1
59 . 1 . 1 31 31 ALA H H 1 8.127 0.00 . . . . . . . 132 ALA H . 51899 1
60 . 1 . 1 31 31 ALA C C 13 177.187 0.00 . . . . . . . 132 ALA CO . 51899 1
61 . 1 . 1 31 31 ALA CA C 13 52.009 0.04 . . . . . . . 132 ALA CA . 51899 1
62 . 1 . 1 31 31 ALA CB C 13 15.628 0.03 . . . . . . . 132 ALA CB . 51899 1
63 . 1 . 1 31 31 ALA N N 15 122.194 0.02 . . . . . . . 132 ALA N . 51899 1
64 . 1 . 1 32 32 ASP H H 1 8.059 0.00 . . . . . . . 133 ASP H . 51899 1
65 . 1 . 1 32 32 ASP C C 13 174.795 0.00 . . . . . . . 133 ASP CO . 51899 1
66 . 1 . 1 32 32 ASP CA C 13 53.893 0.01 . . . . . . . 133 ASP CA . 51899 1
67 . 1 . 1 32 32 ASP CB C 13 38.444 0.04 . . . . . . . 133 ASP CB . 51899 1
68 . 1 . 1 32 32 ASP N N 15 118.796 0.01 . . . . . . . 133 ASP N . 51899 1
69 . 1 . 1 33 33 LYS H H 1 7.793 0.00 . . . . . . . 134 LYS H . 51899 1
70 . 1 . 1 33 33 LYS C C 13 176.267 0.00 . . . . . . . 134 LYS CO . 51899 1
71 . 1 . 1 33 33 LYS CA C 13 56.570 0.02 . . . . . . . 134 LYS CA . 51899 1
72 . 1 . 1 33 33 LYS CB C 13 29.799 0.04 . . . . . . . 134 LYS CB . 51899 1
73 . 1 . 1 33 33 LYS N N 15 120.149 0.01 . . . . . . . 134 LYS N . 51899 1
74 . 1 . 1 34 34 ILE H H 1 7.788 0.00 . . . . . . . 135 ILE H . 51899 1
75 . 1 . 1 34 34 ILE C C 13 175.209 0.00 . . . . . . . 135 ILE CO . 51899 1
76 . 1 . 1 34 34 ILE CA C 13 60.974 0.03 . . . . . . . 135 ILE CA . 51899 1
77 . 1 . 1 34 34 ILE CB C 13 35.307 0.07 . . . . . . . 135 ILE CB . 51899 1
78 . 1 . 1 34 34 ILE N N 15 119.711 0.02 . . . . . . . 135 ILE N . 51899 1
79 . 1 . 1 35 35 ARG H H 1 7.936 0.00 . . . . . . . 136 ARG H . 51899 1
80 . 1 . 1 35 35 ARG C C 13 175.975 0.00 . . . . . . . 136 ARG CO . 51899 1
81 . 1 . 1 35 35 ARG CA C 13 56.416 0.02 . . . . . . . 136 ARG CA . 51899 1
82 . 1 . 1 35 35 ARG CB C 13 27.307 0.01 . . . . . . . 136 ARG CB . 51899 1
83 . 1 . 1 35 35 ARG N N 15 121.111 0.01 . . . . . . . 136 ARG N . 51899 1
84 . 1 . 1 36 36 LYS H H 1 8.122 0.00 . . . . . . . 137 LYS H . 51899 1
85 . 1 . 1 36 36 LYS C C 13 176.305 0.00 . . . . . . . 137 LYS CO . 51899 1
86 . 1 . 1 36 36 LYS CA C 13 56.129 0.01 . . . . . . . 137 LYS CA . 51899 1
87 . 1 . 1 36 36 LYS CB C 13 29.651 0.02 . . . . . . . 137 LYS CB . 51899 1
88 . 1 . 1 36 36 LYS N N 15 119.343 0.02 . . . . . . . 137 LYS N . 51899 1
89 . 1 . 1 37 37 GLU H H 1 7.988 0.00 . . . . . . . 138 GLU H . 51899 1
90 . 1 . 1 37 37 GLU C C 13 176.105 0.00 . . . . . . . 138 GLU CO . 51899 1
91 . 1 . 1 37 37 GLU CA C 13 55.933 0.09 . . . . . . . 138 GLU CA . 51899 1
92 . 1 . 1 37 37 GLU CB C 13 26.493 0.10 . . . . . . . 138 GLU CB . 51899 1
93 . 1 . 1 37 37 GLU N N 15 120.316 0.02 . . . . . . . 138 GLU N . 51899 1
94 . 1 . 1 38 38 LEU H H 1 8.094 0.00 . . . . . . . 139 LEU H . 51899 1
95 . 1 . 1 38 38 LEU C C 13 176.736 0.01 . . . . . . . 139 LEU CO . 51899 1
96 . 1 . 1 38 38 LEU CA C 13 54.517 0.03 . . . . . . . 139 LEU CA . 51899 1
97 . 1 . 1 38 38 LEU CB C 13 38.625 0.35 . . . . . . . 139 LEU CB . 51899 1
98 . 1 . 1 38 38 LEU N N 15 121.025 0.02 . . . . . . . 139 LEU N . 51899 1
99 . 1 . 1 39 39 GLU H H 1 8.025 0.00 . . . . . . . 140 GLU H . 51899 1
100 . 1 . 1 39 39 GLU C C 13 175.644 0.01 . . . . . . . 140 GLU CO . 51899 1
101 . 1 . 1 39 39 GLU CA C 13 55.819 0.00 . . . . . . . 140 GLU CA . 51899 1
102 . 1 . 1 39 39 GLU CB C 13 27.001 0.05 . . . . . . . 140 GLU CB . 51899 1
103 . 1 . 1 39 39 GLU N N 15 119.817 0.10 . . . . . . . 140 GLU N . 51899 1
104 . 1 . 1 40 40 LYS H H 1 7.770 0.00 . . . . . . . 141 LYS H . 51899 1
105 . 1 . 1 40 40 LYS C C 13 175.443 0.00 . . . . . . . 141 LYS CO . 51899 1
106 . 1 . 1 40 40 LYS CA C 13 55.602 0.05 . . . . . . . 141 LYS CA . 51899 1
107 . 1 . 1 40 40 LYS CB C 13 29.756 0.02 . . . . . . . 141 LYS CB . 51899 1
108 . 1 . 1 40 40 LYS N N 15 119.424 0.01 . . . . . . . 141 LYS N . 51899 1
109 . 1 . 1 41 41 GLN H H 1 7.938 0.00 . . . . . . . 142 GLN H . 51899 1
110 . 1 . 1 41 41 GLN C C 13 174.155 0.00 . . . . . . . 142 GLN CO . 51899 1
111 . 1 . 1 41 41 GLN CA C 13 54.649 0.09 . . . . . . . 142 GLN CA . 51899 1
112 . 1 . 1 41 41 GLN CB C 13 26.010 0.01 . . . . . . . 142 GLN CB . 51899 1
113 . 1 . 1 41 41 GLN N N 15 118.661 0.01 . . . . . . . 142 GLN N . 51899 1
114 . 1 . 1 42 42 HIS H H 1 8.141 0.00 . . . . . . . 143 HIS H . 51899 1
115 . 1 . 1 42 42 HIS C C 13 172.729 0.00 . . . . . . . 143 HIS CO . 51899 1
116 . 1 . 1 42 42 HIS CA C 13 53.978 0.04 . . . . . . . 143 HIS CA . 51899 1
117 . 1 . 1 42 42 HIS CB C 13 25.924 0.03 . . . . . . . 143 HIS CB . 51899 1
118 . 1 . 1 42 42 HIS N N 15 117.800 0.01 . . . . . . . 143 HIS N . 51899 1
119 . 1 . 1 43 43 LEU H H 1 7.938 0.00 . . . . . . . 144 LEU H . 51899 1
120 . 1 . 1 43 43 LEU C C 13 175.305 0.00 . . . . . . . 144 LEU CO . 51899 1
121 . 1 . 1 43 43 LEU CA C 13 53.584 0.04 . . . . . . . 144 LEU CA . 51899 1
122 . 1 . 1 43 43 LEU CB C 13 39.364 0.05 . . . . . . . 144 LEU CB . 51899 1
123 . 1 . 1 43 43 LEU N N 15 120.867 0.02 . . . . . . . 144 LEU N . 51899 1
124 . 1 . 1 44 44 ARG H H 1 7.978 0.00 . . . . . . . 145 ARG H . 51899 1
125 . 1 . 1 44 44 ARG C C 13 174.089 0.00 . . . . . . . 145 ARG CO . 51899 1
126 . 1 . 1 44 44 ARG CA C 13 54.306 0.01 . . . . . . . 145 ARG CA . 51899 1
127 . 1 . 1 44 44 ARG CB C 13 27.790 0.09 . . . . . . . 145 ARG CB . 51899 1
128 . 1 . 1 44 44 ARG N N 15 119.760 0.01 . . . . . . . 145 ARG N . 51899 1
129 . 1 . 1 45 45 ASP H H 1 8.130 0.00 . . . . . . . 146 ASP H . 51899 1
130 . 1 . 1 45 45 ASP C C 13 174.305 0.00 . . . . . . . 146 ASP CO . 51899 1
131 . 1 . 1 45 45 ASP CA C 13 52.684 0.01 . . . . . . . 146 ASP CA . 51899 1
132 . 1 . 1 45 45 ASP CB C 13 38.156 0.03 . . . . . . . 146 ASP CB . 51899 1
133 . 1 . 1 45 45 ASP N N 15 120.538 0.02 . . . . . . . 146 ASP N . 51899 1
134 . 1 . 1 46 46 VAL H H 1 7.833 0.00 . . . . . . . 147 VAL H . 51899 1
135 . 1 . 1 46 46 VAL C C 13 173.928 0.00 . . . . . . . 147 VAL CO . 51899 1
136 . 1 . 1 46 46 VAL CA C 13 60.466 0.04 . . . . . . . 147 VAL CA . 51899 1
137 . 1 . 1 46 46 VAL CB C 13 29.645 0.03 . . . . . . . 147 VAL CB . 51899 1
138 . 1 . 1 46 46 VAL N N 15 118.316 0.01 . . . . . . . 147 VAL N . 51899 1
139 . 1 . 1 47 47 GLU H H 1 8.096 0.00 . . . . . . . 148 GLU H . 51899 1
140 . 1 . 1 47 47 GLU C C 13 173.845 0.00 . . . . . . . 148 GLU CO . 51899 1
141 . 1 . 1 47 47 GLU CA C 13 54.443 0.02 . . . . . . . 148 GLU CA . 51899 1
142 . 1 . 1 47 47 GLU CB C 13 27.363 0.05 . . . . . . . 148 GLU CB . 51899 1
143 . 1 . 1 47 47 GLU N N 15 122.215 0.04 . . . . . . . 148 GLU N . 51899 1
144 . 1 . 1 48 48 PHE H H 1 8.064 0.00 . . . . . . . 149 PHE H . 51899 1
145 . 1 . 1 48 48 PHE C C 13 173.057 0.00 . . . . . . . 149 PHE CO . 51899 1
146 . 1 . 1 48 48 PHE CA C 13 55.368 0.08 . . . . . . . 149 PHE CA . 51899 1
147 . 1 . 1 48 48 PHE CB C 13 36.622 0.07 . . . . . . . 149 PHE CB . 51899 1
148 . 1 . 1 48 48 PHE N N 15 120.374 0.01 . . . . . . . 149 PHE N . 51899 1
149 . 1 . 1 49 49 ARG H H 1 7.974 0.00 . . . . . . . 150 ARG H . 51899 1
150 . 1 . 1 49 49 ARG C C 13 173.373 0.00 . . . . . . . 150 ARG CO . 51899 1
151 . 1 . 1 49 49 ARG CA C 13 53.489 0.05 . . . . . . . 150 ARG CA . 51899 1
152 . 1 . 1 49 49 ARG CB C 13 28.002 0.04 . . . . . . . 150 ARG CB . 51899 1
153 . 1 . 1 49 49 ARG N N 15 122.152 0.02 . . . . . . . 150 ARG N . 51899 1
154 . 1 . 1 50 50 LYS H H 1 8.153 0.00 . . . . . . . 151 LYS H . 51899 1
155 . 1 . 1 50 50 LYS C C 13 173.614 0.00 . . . . . . . 151 LYS CO . 51899 1
156 . 1 . 1 50 50 LYS CA C 13 54.112 0.06 . . . . . . . 151 LYS CA . 51899 1
157 . 1 . 1 50 50 LYS CB C 13 30.290 0.05 . . . . . . . 151 LYS CB . 51899 1
158 . 1 . 1 50 50 LYS N N 15 122.141 0.01 . . . . . . . 151 LYS N . 51899 1
159 . 1 . 1 51 51 ASP H H 1 8.331 0.00 . . . . . . . 152 ASP H . 51899 1
160 . 1 . 1 51 51 ASP C C 13 173.575 0.01 . . . . . . . 152 ASP CO . 51899 1
161 . 1 . 1 51 51 ASP CA C 13 51.897 0.02 . . . . . . . 152 ASP CA . 51899 1
162 . 1 . 1 51 51 ASP CB C 13 38.114 0.04 . . . . . . . 152 ASP CB . 51899 1
163 . 1 . 1 51 51 ASP N N 15 120.269 0.01 . . . . . . . 152 ASP N . 51899 1
164 . 1 . 1 52 52 ILE H H 1 7.822 0.00 . . . . . . . 153 ILE H . 51899 1
165 . 1 . 1 52 52 ILE C C 13 174.016 0.00 . . . . . . . 153 ILE CO . 51899 1
166 . 1 . 1 52 52 ILE CA C 13 59.088 0.02 . . . . . . . 153 ILE CA . 51899 1
167 . 1 . 1 52 52 ILE CB C 13 35.730 0.04 . . . . . . . 153 ILE CB . 51899 1
168 . 1 . 1 52 52 ILE N N 15 120.332 0.01 . . . . . . . 153 ILE N . 51899 1
169 . 1 . 1 53 53 VAL H H 1 8.000 0.00 . . . . . . . 154 VAL H . 51899 1
170 . 1 . 1 53 53 VAL C C 13 173.884 0.00 . . . . . . . 154 VAL CO . 51899 1
171 . 1 . 1 53 53 VAL CA C 13 60.570 0.02 . . . . . . . 154 VAL CA . 51899 1
172 . 1 . 1 53 53 VAL CB C 13 29.703 0.04 . . . . . . . 154 VAL CB . 51899 1
173 . 1 . 1 53 53 VAL N N 15 123.772 0.01 . . . . . . . 154 VAL N . 51899 1
174 . 1 . 1 54 54 GLU H H 1 8.313 0.00 . . . . . . . 155 GLU H . 51899 1
175 . 1 . 1 54 54 GLU C C 13 174.343 0.00 . . . . . . . 155 GLU CO . 51899 1
176 . 1 . 1 54 54 GLU CA C 13 54.528 0.04 . . . . . . . 155 GLU CA . 51899 1
177 . 1 . 1 54 54 GLU CB C 13 27.269 0.01 . . . . . . . 155 GLU CB . 51899 1
178 . 1 . 1 54 54 GLU N N 15 123.438 0.02 . . . . . . . 155 GLU N . 51899 1
179 . 1 . 1 55 55 MET H H 1 8.220 0.00 . . . . . . . 156 MET H . 51899 1
180 . 1 . 1 55 55 MET C C 13 173.578 0.00 . . . . . . . 156 MET CO . 51899 1
181 . 1 . 1 55 55 MET CA C 13 53.486 0.10 . . . . . . . 156 MET CA . 51899 1
182 . 1 . 1 55 55 MET CB C 13 30.231 0.05 . . . . . . . 156 MET CB . 51899 1
183 . 1 . 1 55 55 MET N N 15 120.881 0.01 . . . . . . . 156 MET N . 51899 1
184 . 1 . 1 56 56 ALA H H 1 8.136 0.00 . . . . . . . 157 ALA H . 51899 1
185 . 1 . 1 56 56 ALA C C 13 175.860 0.00 . . . . . . . 157 ALA CO . 51899 1
186 . 1 . 1 56 56 ALA CA C 13 50.472 0.02 . . . . . . . 157 ALA CA . 51899 1
187 . 1 . 1 56 56 ALA CB C 13 16.042 0.01 . . . . . . . 157 ALA CB . 51899 1
188 . 1 . 1 56 56 ALA N N 15 124.714 0.00 . . . . . . . 157 ALA N . 51899 1
189 . 1 . 1 57 57 ILE H H 1 8.001 0.00 . . . . . . . 158 ILE H . 51899 1
190 . 1 . 1 57 57 ILE C C 13 174.517 0.00 . . . . . . . 158 ILE CO . 51899 1
191 . 1 . 1 57 57 ILE CA C 13 59.589 0.04 . . . . . . . 158 ILE CA . 51899 1
192 . 1 . 1 57 57 ILE CB C 13 35.724 0.04 . . . . . . . 158 ILE CB . 51899 1
193 . 1 . 1 57 57 ILE N N 15 120.172 0.01 . . . . . . . 158 ILE N . 51899 1
194 . 1 . 1 58 58 GLU H H 1 8.357 0.00 . . . . . . . 159 GLU H . 51899 1
195 . 1 . 1 58 58 GLU C C 13 174.474 0.00 . . . . . . . 159 GLU CO . 51899 1
196 . 1 . 1 58 58 GLU CA C 13 54.888 0.01 . . . . . . . 159 GLU CA . 51899 1
197 . 1 . 1 58 58 GLU CB C 13 27.035 0.01 . . . . . . . 159 GLU CB . 51899 1
198 . 1 . 1 58 58 GLU N N 15 123.034 0.01 . . . . . . . 159 GLU N . 51899 1
199 . 1 . 1 59 59 ASN H H 1 8.271 0.00 . . . . . . . 160 ASN H . 51899 1
200 . 1 . 1 59 59 ASN C C 13 173.245 0.00 . . . . . . . 160 ASN CO . 51899 1
201 . 1 . 1 59 59 ASN CA C 13 51.379 0.01 . . . . . . . 160 ASN CA . 51899 1
202 . 1 . 1 59 59 ASN CB C 13 35.940 0.03 . . . . . . . 160 ASN CB . 51899 1
203 . 1 . 1 59 59 ASN N N 15 118.657 0.00 . . . . . . . 160 ASN N . 51899 1
204 . 1 . 1 60 60 GLN H H 1 8.109 0.00 . . . . . . . 161 GLN H . 51899 1
205 . 1 . 1 60 60 GLN C C 13 173.920 0.00 . . . . . . . 161 GLN CO . 51899 1
206 . 1 . 1 60 60 GLN CA C 13 54.233 0.03 . . . . . . . 161 GLN CA . 51899 1
207 . 1 . 1 60 60 GLN CB C 13 26.293 0.02 . . . . . . . 161 GLN CB . 51899 1
208 . 1 . 1 60 60 GLN N N 15 120.095 0.01 . . . . . . . 161 GLN N . 51899 1
209 . 1 . 1 61 61 LYS H H 1 8.077 0.00 . . . . . . . 162 LYS H . 51899 1
210 . 1 . 1 61 61 LYS C C 13 174.176 0.00 . . . . . . . 162 LYS CO . 51899 1
211 . 1 . 1 61 61 LYS CA C 13 54.377 0.00 . . . . . . . 162 LYS CA . 51899 1
212 . 1 . 1 61 61 LYS CB C 13 29.986 0.04 . . . . . . . 162 LYS CB . 51899 1
213 . 1 . 1 61 61 LYS N N 15 121.042 0.03 . . . . . . . 162 LYS N . 51899 1
214 . 1 . 1 62 62 LYS H H 1 8.016 0.00 . . . . . . . 163 LYS H . 51899 1
215 . 1 . 1 62 62 LYS C C 13 174.016 0.00 . . . . . . . 163 LYS CO . 51899 1
216 . 1 . 1 62 62 LYS CA C 13 53.976 0.03 . . . . . . . 163 LYS CA . 51899 1
217 . 1 . 1 62 62 LYS CB C 13 30.151 0.01 . . . . . . . 163 LYS CB . 51899 1
218 . 1 . 1 62 62 LYS N N 15 121.125 0.02 . . . . . . . 163 LYS N . 51899 1
219 . 1 . 1 63 63 MET H H 1 8.151 0.00 . . . . . . . 164 MET H . 51899 1
220 . 1 . 1 63 63 MET C C 13 173.600 0.00 . . . . . . . 164 MET CO . 51899 1
221 . 1 . 1 63 63 MET CA C 13 53.133 0.12 . . . . . . . 164 MET CA . 51899 1
222 . 1 . 1 63 63 MET CB C 13 29.929 0.11 . . . . . . . 164 MET CB . 51899 1
223 . 1 . 1 63 63 MET N N 15 120.962 0.01 . . . . . . . 164 MET N . 51899 1
224 . 1 . 1 64 64 ILE H H 1 7.955 0.00 . . . . . . . 165 ILE H . 51899 1
225 . 1 . 1 64 64 ILE C C 13 173.274 0.00 . . . . . . . 165 ILE CO . 51899 1
226 . 1 . 1 64 64 ILE CA C 13 58.667 0.02 . . . . . . . 165 ILE CA . 51899 1
227 . 1 . 1 64 64 ILE CB C 13 36.078 0.05 . . . . . . . 165 ILE CB . 51899 1
228 . 1 . 1 64 64 ILE N N 15 121.088 0.01 . . . . . . . 165 ILE N . 51899 1
229 . 1 . 1 65 65 ASP H H 1 8.262 0.00 . . . . . . . 166 ASP H . 51899 1
230 . 1 . 1 65 65 ASP C C 13 173.924 0.00 . . . . . . . 166 ASP CO . 51899 1
231 . 1 . 1 65 65 ASP CA C 13 51.769 0.02 . . . . . . . 166 ASP CA . 51899 1
232 . 1 . 1 65 65 ASP CB C 13 38.329 0.04 . . . . . . . 166 ASP CB . 51899 1
233 . 1 . 1 65 65 ASP N N 15 123.995 0.01 . . . . . . . 166 ASP N . 51899 1
234 . 1 . 1 66 66 VAL H H 1 8.028 0.00 . . . . . . . 167 VAL H . 51899 1
235 . 1 . 1 66 66 VAL C C 13 174.048 0.00 . . . . . . . 167 VAL CO . 51899 1
236 . 1 . 1 66 66 VAL CA C 13 60.548 0.05 . . . . . . . 167 VAL CA . 51899 1
237 . 1 . 1 66 66 VAL CB C 13 29.688 0.01 . . . . . . . 167 VAL CB . 51899 1
238 . 1 . 1 66 66 VAL N N 15 120.014 0.02 . . . . . . . 167 VAL N . 51899 1
239 . 1 . 1 67 67 GLU H H 1 8.336 0.00 . . . . . . . 168 GLU H . 51899 1
240 . 1 . 1 67 67 GLU C C 13 174.563 0.00 . . . . . . . 168 GLU CO . 51899 1
241 . 1 . 1 67 67 GLU CA C 13 54.606 0.04 . . . . . . . 168 GLU CA . 51899 1
242 . 1 . 1 67 67 GLU CB C 13 27.123 0.04 . . . . . . . 168 GLU CB . 51899 1
243 . 1 . 1 67 67 GLU N N 15 122.320 0.02 . . . . . . . 168 GLU N . 51899 1
244 . 1 . 1 68 68 SER H H 1 8.151 0.00 . . . . . . . 169 SER H . 51899 1
245 . 1 . 1 68 68 SER C C 13 172.528 0.00 . . . . . . . 169 SER CO . 51899 1
246 . 1 . 1 68 68 SER CA C 13 56.375 0.02 . . . . . . . 169 SER CA . 51899 1
247 . 1 . 1 68 68 SER CB C 13 60.815 0.07 . . . . . . . 169 SER CB . 51899 1
248 . 1 . 1 68 68 SER N N 15 116.128 0.00 . . . . . . . 169 SER N . 51899 1
249 . 1 . 1 69 69 ARG H H 1 8.086 0.00 . . . . . . . 170 ARG H . 51899 1
250 . 1 . 1 69 69 ARG C C 13 173.684 0.00 . . . . . . . 170 ARG CO . 51899 1
251 . 1 . 1 69 69 ARG CA C 13 54.396 0.09 . . . . . . . 170 ARG CA . 51899 1
252 . 1 . 1 69 69 ARG CB C 13 27.516 0.04 . . . . . . . 170 ARG CB . 51899 1
253 . 1 . 1 69 69 ARG N N 15 122.104 0.02 . . . . . . . 170 ARG N . 51899 1
254 . 1 . 1 70 70 TYR H H 1 7.873 0.00 . . . . . . . 171 TYR H . 51899 1
255 . 1 . 1 70 70 TYR C C 13 172.883 0.00 . . . . . . . 171 TYR CO . 51899 1
256 . 1 . 1 70 70 TYR CA C 13 54.807 0.03 . . . . . . . 171 TYR CA . 51899 1
257 . 1 . 1 70 70 TYR CB C 13 35.782 0.02 . . . . . . . 171 TYR CB . 51899 1
258 . 1 . 1 70 70 TYR N N 15 119.077 0.01 . . . . . . . 171 TYR N . 51899 1
259 . 1 . 1 71 71 ALA H H 1 7.891 0.00 . . . . . . . 172 ALA H . 51899 1
260 . 1 . 1 71 71 ALA C C 13 174.749 0.00 . . . . . . . 172 ALA CO . 51899 1
261 . 1 . 1 71 71 ALA CA C 13 49.854 0.05 . . . . . . . 172 ALA CA . 51899 1
262 . 1 . 1 71 71 ALA CB C 13 16.601 0.01 . . . . . . . 172 ALA CB . 51899 1
263 . 1 . 1 71 71 ALA N N 15 124.603 0.01 . . . . . . . 172 ALA N . 51899 1
264 . 1 . 1 72 72 LYS H H 1 8.089 0.00 . . . . . . . 173 LYS H . 51899 1
265 . 1 . 1 72 72 LYS C C 13 173.960 0.00 . . . . . . . 173 LYS CO . 51899 1
266 . 1 . 1 72 72 LYS CA C 13 53.717 0.04 . . . . . . . 173 LYS CA . 51899 1
267 . 1 . 1 72 72 LYS CB C 13 30.198 0.05 . . . . . . . 173 LYS CB . 51899 1
268 . 1 . 1 72 72 LYS N N 15 120.628 0.01 . . . . . . . 173 LYS N . 51899 1
269 . 1 . 1 73 73 LYS H H 1 8.256 0.00 . . . . . . . 174 LYS H . 51899 1
270 . 1 . 1 73 73 LYS C C 13 173.623 0.00 . . . . . . . 174 LYS CO . 51899 1
271 . 1 . 1 73 73 LYS CA C 13 53.716 0.03 . . . . . . . 174 LYS CA . 51899 1
272 . 1 . 1 73 73 LYS CB C 13 30.275 0.04 . . . . . . . 174 LYS CB . 51899 1
273 . 1 . 1 73 73 LYS N N 15 122.355 0.00 . . . . . . . 174 LYS N . 51899 1
274 . 1 . 1 74 74 ASP H H 1 8.292 0.00 . . . . . . . 175 ASP H . 51899 1
275 . 1 . 1 74 74 ASP C C 13 173.769 0.00 . . . . . . . 175 ASP CO . 51899 1
276 . 1 . 1 74 74 ASP CA C 13 51.887 0.05 . . . . . . . 175 ASP CA . 51899 1
277 . 1 . 1 74 74 ASP CB C 13 38.254 0.02 . . . . . . . 175 ASP CB . 51899 1
278 . 1 . 1 74 74 ASP N N 15 121.129 0.01 . . . . . . . 175 ASP N . 51899 1
279 . 1 . 1 75 75 MET H H 1 8.214 0.00 . . . . . . . 176 MET H . 51899 1
280 . 1 . 1 75 75 MET C C 13 173.664 0.00 . . . . . . . 176 MET CO . 51899 1
281 . 1 . 1 75 75 MET CA C 13 53.529 0.28 . . . . . . . 176 MET CA . 51899 1
282 . 1 . 1 75 75 MET CB C 13 29.862 0.01 . . . . . . . 176 MET CB . 51899 1
283 . 1 . 1 75 75 MET N N 15 120.237 0.02 . . . . . . . 176 MET N . 51899 1
284 . 1 . 1 76 76 ASP H H 1 8.277 0.00 . . . . . . . 177 ASP H . 51899 1
285 . 1 . 1 76 76 ASP C C 13 173.921 0.00 . . . . . . . 177 ASP CO . 51899 1
286 . 1 . 1 76 76 ASP CA C 13 52.237 0.08 . . . . . . . 177 ASP CA . 51899 1
287 . 1 . 1 76 76 ASP CB C 13 38.246 0.02 . . . . . . . 177 ASP CB . 51899 1
288 . 1 . 1 76 76 ASP N N 15 120.917 0.02 . . . . . . . 177 ASP N . 51899 1
289 . 1 . 1 77 77 ARG H H 1 8.036 0.00 . . . . . . . 178 ARG H . 51899 1
290 . 1 . 1 77 77 ARG C C 13 173.902 0.00 . . . . . . . 178 ARG CO . 51899 1
291 . 1 . 1 77 77 ARG CA C 13 53.934 0.01 . . . . . . . 178 ARG CA . 51899 1
292 . 1 . 1 77 77 ARG CB C 13 27.918 0.03 . . . . . . . 178 ARG CB . 51899 1
293 . 1 . 1 77 77 ARG N N 15 120.583 0.02 . . . . . . . 178 ARG N . 51899 1
294 . 1 . 1 78 78 GLU H H 1 8.221 0.00 . . . . . . . 179 GLU H . 51899 1
295 . 1 . 1 78 78 GLU C C 13 173.770 0.00 . . . . . . . 179 GLU CO . 51899 1
296 . 1 . 1 78 78 GLU CA C 13 53.864 0.15 . . . . . . . 179 GLU CA . 51899 1
297 . 1 . 1 78 78 GLU CB C 13 27.348 0.07 . . . . . . . 179 GLU CB . 51899 1
298 . 1 . 1 78 78 GLU N N 15 120.215 0.02 . . . . . . . 179 GLU N . 51899 1
299 . 1 . 1 79 79 ARG H H 1 8.070 0.00 . . . . . . . 180 ARG H . 51899 1
300 . 1 . 1 79 79 ARG C C 13 173.446 0.00 . . . . . . . 180 ARG CO . 51899 1
301 . 1 . 1 79 79 ARG CA C 13 53.494 0.11 . . . . . . . 180 ARG CA . 51899 1
302 . 1 . 1 79 79 ARG CB C 13 27.956 0.05 . . . . . . . 180 ARG CB . 51899 1
303 . 1 . 1 79 79 ARG N N 15 121.415 0.02 . . . . . . . 180 ARG N . 51899 1
304 . 1 . 1 80 80 VAL H H 1 7.992 0.00 . . . . . . . 181 VAL H . 51899 1
305 . 1 . 1 80 80 VAL C C 13 173.062 0.00 . . . . . . . 181 VAL CO . 51899 1
306 . 1 . 1 80 80 VAL CA C 13 59.660 0.03 . . . . . . . 181 VAL CA . 51899 1
307 . 1 . 1 80 80 VAL CB C 13 29.902 0.05 . . . . . . . 181 VAL CB . 51899 1
308 . 1 . 1 80 80 VAL N N 15 121.244 0.02 . . . . . . . 181 VAL N . 51899 1
309 . 1 . 1 81 81 LYS H H 1 8.284 0.00 . . . . . . . 182 LYS H . 51899 1
310 . 1 . 1 81 81 LYS C C 13 172.722 0.00 . . . . . . . 182 LYS CO . 51899 1
311 . 1 . 1 81 81 LYS CA C 13 53.620 0.03 . . . . . . . 182 LYS CA . 51899 1
312 . 1 . 1 81 81 LYS CB C 13 30.245 0.00 . . . . . . . 182 LYS CB . 51899 1
313 . 1 . 1 81 81 LYS N N 15 126.292 0.01 . . . . . . . 182 LYS N . 51899 1
314 . 1 . 1 82 82 VAL H H 1 7.687 0.00 . . . . . . . 183 VAL H . 51899 1
315 . 1 . 1 82 82 VAL C C 13 173.533 0.00 . . . . . . . 183 VAL CO . 51899 1
316 . 1 . 1 82 82 VAL CA C 13 60.937 0.00 . . . . . . . 183 VAL CA . 51899 1
317 . 1 . 1 82 82 VAL CB C 13 30.438 0.00 . . . . . . . 183 VAL CB . 51899 1
318 . 1 . 1 82 82 VAL N N 15 126.427 0.01 . . . . . . . 183 VAL N . 51899 1
stop_
save_