###################################
# 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 52604
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'Backbone NMR assignments of BACH1 BTB domain modified with BTFA'
_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 '2D 1H-15N TROSY' . . . 52604 1
3 '3D HNCA' . . . 52604 1
4 '2D 1H-15N HSQC' . . . 52604 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 . . 52604 1
2 $software_2 . . 52604 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 2 2 MET CA C 13 55.45108458 . . . . . . . . 6 MET CA . 52604 1
2 . 1 . 1 3 3 SER H H 1 8.499000127 . . . . . . . . 7 SER H . 52604 1
3 . 1 . 1 3 3 SER CA C 13 58.54944189 0.006677377018 . . . . . . . 7 SER CA . 52604 1
4 . 1 . 1 3 3 SER N N 15 118.0441226 . . . . . . . . 7 SER N . 52604 1
5 . 1 . 1 4 4 VAL H H 1 7.574985711 . . . . . . . . 8 VAL H . 52604 1
6 . 1 . 1 4 4 VAL CA C 13 60.3200843 0.01427589449 . . . . . . . 8 VAL CA . 52604 1
7 . 1 . 1 4 4 VAL N N 15 118.6827516 . . . . . . . . 8 VAL N . 52604 1
8 . 1 . 1 5 5 PHE H H 1 8.999686098 . . . . . . . . 9 PHE H . 52604 1
9 . 1 . 1 5 5 PHE CA C 13 57.04322403 0.001336413359 . . . . . . . 9 PHE CA . 52604 1
10 . 1 . 1 5 5 PHE N N 15 124.9281611 . . . . . . . . 9 PHE N . 52604 1
11 . 1 . 1 6 6 ALA H H 1 7.853878212 . . . . . . . . 10 ALA H . 52604 1
12 . 1 . 1 6 6 ALA CA C 13 50.01757233 0.005521014759 . . . . . . . 10 ALA CA . 52604 1
13 . 1 . 1 6 6 ALA N N 15 125.2513626 . . . . . . . . 10 ALA N . 52604 1
14 . 1 . 1 7 7 TYR H H 1 8.719815558 . . . . . . . . 11 TYR H . 52604 1
15 . 1 . 1 7 7 TYR CA C 13 56.72946676 . . . . . . . . 11 TYR CA . 52604 1
16 . 1 . 1 7 7 TYR N N 15 122.3854316 . . . . . . . . 11 TYR N . 52604 1
17 . 1 . 1 10 10 SER H H 1 9.342362249 . . . . . . . . 14 SER H . 52604 1
18 . 1 . 1 10 10 SER CA C 13 60.171895 0.02762016467 . . . . . . . 14 SER CA . 52604 1
19 . 1 . 1 10 10 SER N N 15 125.7339801 . . . . . . . . 14 SER N . 52604 1
20 . 1 . 1 11 11 VAL H H 1 7.336951746 . . . . . . . . 15 VAL H . 52604 1
21 . 1 . 1 11 11 VAL CA C 13 61.33606855 0.001451129467 . . . . . . . 15 VAL CA . 52604 1
22 . 1 . 1 11 11 VAL N N 15 112.4691007 . . . . . . . . 15 VAL N . 52604 1
23 . 1 . 1 12 12 HIS H H 1 7.361903885 . . . . . . . . 16 HIS H . 52604 1
24 . 1 . 1 12 12 HIS CA C 13 60.93411097 0.002587729754 . . . . . . . 16 HIS CA . 52604 1
25 . 1 . 1 12 12 HIS N N 15 121.7570005 . . . . . . . . 16 HIS N . 52604 1
26 . 1 . 1 13 13 SER H H 1 9.32231486 . . . . . . . . 17 SER H . 52604 1
27 . 1 . 1 13 13 SER CA C 13 62.28519373 0.00451608699 . . . . . . . 17 SER CA . 52604 1
28 . 1 . 1 13 13 SER N N 15 113.572135 . . . . . . . . 17 SER N . 52604 1
29 . 1 . 1 14 14 THR H H 1 7.688294635 . . . . . . . . 18 THR H . 52604 1
30 . 1 . 1 14 14 THR CA C 13 66.80294929 0.002503691883 . . . . . . . 18 THR CA . 52604 1
31 . 1 . 1 14 14 THR N N 15 120.6807297 . . . . . . . . 18 THR N . 52604 1
32 . 1 . 1 15 15 ASN H H 1 8.025199834 . . . . . . . . 19 ASN H . 52604 1
33 . 1 . 1 15 15 ASN CA C 13 55.79634234 0.005534589059 . . . . . . . 19 ASN CA . 52604 1
34 . 1 . 1 15 15 ASN N N 15 121.4999941 . . . . . . . . 19 ASN N . 52604 1
35 . 1 . 1 16 16 VAL H H 1 8.589475721 . . . . . . . . 20 VAL H . 52604 1
36 . 1 . 1 16 16 VAL CA C 13 67.21144845 0.005154056855 . . . . . . . 20 VAL CA . 52604 1
37 . 1 . 1 16 16 VAL N N 15 122.7738545 . . . . . . . . 20 VAL N . 52604 1
38 . 1 . 1 17 17 LEU H H 1 7.565602176 . . . . . . . . 21 LEU H . 52604 1
39 . 1 . 1 17 17 LEU CA C 13 58.58164562 0.008556896812 . . . . . . . 21 LEU CA . 52604 1
40 . 1 . 1 17 17 LEU N N 15 121.3108262 . . . . . . . . 21 LEU N . 52604 1
41 . 1 . 1 18 18 LEU H H 1 8.395599584 . . . . . . . . 22 LEU H . 52604 1
42 . 1 . 1 18 18 LEU CA C 13 57.39229154 0.00627287015 . . . . . . . 22 LEU CA . 52604 1
43 . 1 . 1 18 18 LEU N N 15 116.0198195 . . . . . . . . 22 LEU N . 52604 1
44 . 1 . 1 19 19 SER H H 1 7.906333024 . . . . . . . . 23 SER H . 52604 1
45 . 1 . 1 19 19 SER CA C 13 62.75343903 0.007576092162 . . . . . . . 23 SER CA . 52604 1
46 . 1 . 1 19 19 SER N N 15 118.5399589 . . . . . . . . 23 SER N . 52604 1
47 . 1 . 1 20 20 LEU H H 1 8.53825956 . . . . . . . . 24 LEU H . 52604 1
48 . 1 . 1 20 20 LEU CA C 13 58.29171236 . . . . . . . . 24 LEU CA . 52604 1
49 . 1 . 1 20 20 LEU N N 15 124.1557088 . . . . . . . . 24 LEU N . 52604 1
50 . 1 . 1 21 21 ASN H H 1 9.084662078 . . . . . . . . 25 ASN H . 52604 1
51 . 1 . 1 21 21 ASN CA C 13 56.37802112 0.01778654382 . . . . . . . 25 ASN CA . 52604 1
52 . 1 . 1 21 21 ASN N N 15 118.5134101 . . . . . . . . 25 ASN N . 52604 1
53 . 1 . 1 22 22 ASP H H 1 7.916176984 . . . . . . . . 26 ASP H . 52604 1
54 . 1 . 1 22 22 ASP CA C 13 57.96608746 . . . . . . . . 26 ASP CA . 52604 1
55 . 1 . 1 22 22 ASP N N 15 120.263911 . . . . . . . . 26 ASP N . 52604 1
56 . 1 . 1 23 23 GLN H H 1 7.85543482 . . . . . . . . 27 GLN H . 52604 1
57 . 1 . 1 23 23 GLN CA C 13 59.25359806 0.0000439 . . . . . . . 27 GLN CA . 52604 1
58 . 1 . 1 23 23 GLN N N 15 118.4774872 . . . . . . . . 27 GLN N . 52604 1
59 . 1 . 1 24 24 ARG H H 1 7.953063675 . . . . . . . . 28 ARG H . 52604 1
60 . 1 . 1 24 24 ARG CA C 13 59.21010932 0.01523579191 . . . . . . . 28 ARG CA . 52604 1
61 . 1 . 1 24 24 ARG N N 15 118.7259967 . . . . . . . . 28 ARG N . 52604 1
62 . 1 . 1 25 25 LYS H H 1 8.34579653 . . . . . . . . 29 LYS H . 52604 1
63 . 1 . 1 25 25 LYS CA C 13 59.15604381 0.008685947956 . . . . . . . 29 LYS CA . 52604 1
64 . 1 . 1 25 25 LYS N N 15 118.1191969 . . . . . . . . 29 LYS N . 52604 1
65 . 1 . 1 26 26 LYS H H 1 7.608959583 . . . . . . . . 30 LYS H . 52604 1
66 . 1 . 1 26 26 LYS CA C 13 56.18450751 0.02949594892 . . . . . . . 30 LYS CA . 52604 1
67 . 1 . 1 26 26 LYS N N 15 116.9870259 . . . . . . . . 30 LYS N . 52604 1
68 . 1 . 1 27 27 ASP H H 1 7.89896285 . . . . . . . . 31 ASP H . 52604 1
69 . 1 . 1 27 27 ASP CA C 13 54.21364429 0.0119784791 . . . . . . . 31 ASP CA . 52604 1
70 . 1 . 1 27 27 ASP N N 15 121.2987713 . . . . . . . . 31 ASP N . 52604 1
71 . 1 . 1 28 28 VAL H H 1 8.301445702 . . . . . . . . 32 VAL H . 52604 1
72 . 1 . 1 28 28 VAL CA C 13 60.92933328 0.009378783406 . . . . . . . 32 VAL CA . 52604 1
73 . 1 . 1 28 28 VAL N N 15 119.056574 . . . . . . . . 32 VAL N . 52604 1
74 . 1 . 1 29 29 LEU H H 1 8.334884586 . . . . . . . . 33 LEU H . 52604 1
75 . 1 . 1 29 29 LEU CA C 13 55.71408432 0.000696349124 . . . . . . . 33 LEU CA . 52604 1
76 . 1 . 1 29 29 LEU N N 15 113.8568631 . . . . . . . . 33 LEU N . 52604 1
77 . 1 . 1 30 30 CYS H H 1 7.768838987 . . . . . . . . 34 CYS H . 52604 1
78 . 1 . 1 30 30 CYS CA C 13 60.81261336 0.02136358006 . . . . . . . 34 CYS CA . 52604 1
79 . 1 . 1 30 30 CYS N N 15 115.2883918 . . . . . . . . 34 CYS N . 52604 1
80 . 1 . 1 31 31 ASP H H 1 8.041621727 . . . . . . . . 35 ASP H . 52604 1
81 . 1 . 1 31 31 ASP CA C 13 54.179 0.02302931995 . . . . . . . 35 ASP CA . 52604 1
82 . 1 . 1 31 31 ASP N N 15 114.5867644 . . . . . . . . 35 ASP N . 52604 1
83 . 1 . 1 32 32 VAL H H 1 7.742329931 . . . . . . . . 36 VAL H . 52604 1
84 . 1 . 1 32 32 VAL CA C 13 59.66833583 0.0009129946167 . . . . . . . 36 VAL CA . 52604 1
85 . 1 . 1 32 32 VAL N N 15 118.4573132 . . . . . . . . 36 VAL N . 52604 1
86 . 1 . 1 33 33 THR H H 1 8.156355003 . . . . . . . . 37 THR H . 52604 1
87 . 1 . 1 33 33 THR CA C 13 61.41869851 0.02579387324 . . . . . . . 37 THR CA . 52604 1
88 . 1 . 1 33 33 THR N N 15 123.152894 . . . . . . . . 37 THR N . 52604 1
89 . 1 . 1 34 34 ILE H H 1 9.2439497 . . . . . . . . 38 ILE H . 52604 1
90 . 1 . 1 34 34 ILE CA C 13 57.9736797 0.01233668764 . . . . . . . 38 ILE CA . 52604 1
91 . 1 . 1 34 34 ILE N N 15 127.1859882 . . . . . . . . 38 ILE N . 52604 1
92 . 1 . 1 35 35 PHE H H 1 9.111662143 . . . . . . . . 39 PHE H . 52604 1
93 . 1 . 1 35 35 PHE CA C 13 56.5962496 0.008026746577 . . . . . . . 39 PHE CA . 52604 1
94 . 1 . 1 35 35 PHE N N 15 125.4582787 . . . . . . . . 39 PHE N . 52604 1
95 . 1 . 1 36 36 VAL H H 1 8.731484197 . . . . . . . . 40 VAL H . 52604 1
96 . 1 . 1 36 36 VAL CA C 13 60.73591979 0.01125332248 . . . . . . . 40 VAL CA . 52604 1
97 . 1 . 1 36 36 VAL N N 15 123.7348369 . . . . . . . . 40 VAL N . 52604 1
98 . 1 . 1 37 37 GLU H H 1 9.081428611 . . . . . . . . 41 GLU H . 52604 1
99 . 1 . 1 37 37 GLU CA C 13 57.52097707 0.005188109242 . . . . . . . 41 GLU CA . 52604 1
100 . 1 . 1 37 37 GLU N N 15 125.4582787 . . . . . . . . 41 GLU N . 52604 1
101 . 1 . 1 38 38 GLY H H 1 8.645004551 . . . . . . . . 42 GLY H . 52604 1
102 . 1 . 1 38 38 GLY CA C 13 45.19176721 0.006300014526 . . . . . . . 42 GLY CA . 52604 1
103 . 1 . 1 38 38 GLY N N 15 104.5891029 . . . . . . . . 42 GLY N . 52604 1
104 . 1 . 1 39 39 GLN H H 1 8.529786005 . . . . . . . . 43 GLN H . 52604 1
105 . 1 . 1 39 39 GLN CA C 13 54.66013433 0.0105348691 . . . . . . . 43 GLN CA . 52604 1
106 . 1 . 1 39 39 GLN N N 15 122.4574391 . . . . . . . . 43 GLN N . 52604 1
107 . 1 . 1 40 40 ARG H H 1 8.048152013 . . . . . . . . 44 ARG H . 52604 1
108 . 1 . 1 40 40 ARG CA C 13 55.32972467 0.0156373237 . . . . . . . 44 ARG CA . 52604 1
109 . 1 . 1 40 40 ARG N N 15 121.4425019 . . . . . . . . 44 ARG N . 52604 1
110 . 1 . 1 41 41 PHE H H 1 9.187542508 . . . . . . . . 45 PHE H . 52604 1
111 . 1 . 1 41 41 PHE CA C 13 56.95546862 0.02041451074 . . . . . . . 45 PHE CA . 52604 1
112 . 1 . 1 41 41 PHE N N 15 122.9772692 . . . . . . . . 45 PHE N . 52604 1
113 . 1 . 1 42 42 ARG H H 1 8.323763854 . . . . . . . . 46 ARG H . 52604 1
114 . 1 . 1 42 42 ARG CA C 13 52.89245357 0.02607848457 . . . . . . . 46 ARG CA . 52604 1
115 . 1 . 1 42 42 ARG N N 15 122.4275055 . . . . . . . . 46 ARG N . 52604 1
116 . 1 . 1 43 43 ALA H H 1 8.009147398 . . . . . . . . 47 ALA H . 52604 1
117 . 1 . 1 43 43 ALA CA C 13 51.32087758 0.01175945813 . . . . . . . 47 ALA CA . 52604 1
118 . 1 . 1 43 43 ALA N N 15 117.0941836 . . . . . . . . 47 ALA N . 52604 1
119 . 1 . 1 44 44 HIS H H 1 7.707321044 . . . . . . . . 48 HIS H . 52604 1
120 . 1 . 1 44 44 HIS CA C 13 55.13134693 . . . . . . . . 48 HIS CA . 52604 1
121 . 1 . 1 44 44 HIS N N 15 117.9063166 . . . . . . . . 48 HIS N . 52604 1
122 . 1 . 1 46 46 SER H H 1 9.178416507 . . . . . . . . 50 SER H . 52604 1
123 . 1 . 1 46 46 SER CA C 13 60.58444452 . . . . . . . . 50 SER CA . 52604 1
124 . 1 . 1 46 46 SER N N 15 116.0721142 . . . . . . . . 50 SER N . 52604 1
125 . 1 . 1 47 47 VAL H H 1 6.521331519 . . . . . . . . 51 VAL H . 52604 1
126 . 1 . 1 47 47 VAL CA C 13 66.13655294 0.03467822747 . . . . . . . 51 VAL CA . 52604 1
127 . 1 . 1 47 47 VAL N N 15 122.6339752 . . . . . . . . 51 VAL N . 52604 1
128 . 1 . 1 48 48 LEU H H 1 8.024925842 . . . . . . . . 52 LEU H . 52604 1
129 . 1 . 1 48 48 LEU CA C 13 58.25484332 0.02910159342 . . . . . . . 52 LEU CA . 52604 1
130 . 1 . 1 48 48 LEU N N 15 117.4333161 . . . . . . . . 52 LEU N . 52604 1
131 . 1 . 1 49 49 ALA H H 1 8.345642687 . . . . . . . . 53 ALA H . 52604 1
132 . 1 . 1 49 49 ALA CA C 13 54.59561008 . . . . . . . . 53 ALA CA . 52604 1
133 . 1 . 1 49 49 ALA N N 15 118.0449691 . . . . . . . . 53 ALA N . 52604 1
134 . 1 . 1 50 50 ALA H H 1 7.449757635 . . . . . . . . 54 ALA H . 52604 1
135 . 1 . 1 50 50 ALA CA C 13 53.69608537 0.005601787956 . . . . . . . 54 ALA CA . 52604 1
136 . 1 . 1 50 50 ALA N N 15 116.903876 . . . . . . . . 54 ALA N . 52604 1
137 . 1 . 1 51 51 CYS H H 1 7.652186213 . . . . . . . . 55 CYS H . 52604 1
138 . 1 . 1 51 51 CYS CA C 13 61.19688246 0.04753512889 . . . . . . . 55 CYS CA . 52604 1
139 . 1 . 1 51 51 CYS N N 15 111.1314922 . . . . . . . . 55 CYS N . 52604 1
140 . 1 . 1 52 52 SER H H 1 7.730224046 . . . . . . . . 56 SER H . 52604 1
141 . 1 . 1 52 52 SER CA C 13 55.36005433 0.004973451152 . . . . . . . 56 SER CA . 52604 1
142 . 1 . 1 52 52 SER N N 15 116.4762478 . . . . . . . . 56 SER N . 52604 1
143 . 1 . 1 53 53 SER H H 1 8.186684668 . . . . . . . . 57 SER H . 52604 1
144 . 1 . 1 53 53 SER CA C 13 55.36870983 . . . . . . . . 57 SER CA . 52604 1
145 . 1 . 1 53 53 SER N N 15 126.3580862 . . . . . . . . 57 SER N . 52604 1
146 . 1 . 1 54 54 TYR H H 1 7.300717232 . . . . . . . . 58 TYR H . 52604 1
147 . 1 . 1 54 54 TYR CA C 13 61.26662038 0.002166970189 . . . . . . . 58 TYR CA . 52604 1
148 . 1 . 1 54 54 TYR N N 15 121.9997826 . . . . . . . . 58 TYR N . 52604 1
149 . 1 . 1 55 55 PHE H H 1 8.148322765 . . . . . . . . 59 PHE H . 52604 1
150 . 1 . 1 55 55 PHE CA C 13 61.97179457 0.01026543416 . . . . . . . 59 PHE CA . 52604 1
151 . 1 . 1 55 55 PHE N N 15 116.3245865 . . . . . . . . 59 PHE N . 52604 1
152 . 1 . 1 56 56 HIS H H 1 8.725816323 . . . . . . . . 60 HIS H . 52604 1
153 . 1 . 1 56 56 HIS CA C 13 62.07471023 0.03884422453 . . . . . . . 60 HIS CA . 52604 1
154 . 1 . 1 56 56 HIS N N 15 119.712895 . . . . . . . . 60 HIS N . 52604 1
155 . 1 . 1 57 57 SER H H 1 7.938494217 . . . . . . . . 61 SER H . 52604 1
156 . 1 . 1 57 57 SER CA C 13 61.25989235 0.01417876314 . . . . . . . 61 SER CA . 52604 1
157 . 1 . 1 57 57 SER N N 15 111.1761853 . . . . . . . . 61 SER N . 52604 1
158 . 1 . 1 58 58 ARG H H 1 7.268199387 . . . . . . . . 62 ARG H . 52604 1
159 . 1 . 1 58 58 ARG CA C 13 56.21296141 0.02909107692 . . . . . . . 62 ARG CA . 52604 1
160 . 1 . 1 58 58 ARG N N 15 118.4837288 . . . . . . . . 62 ARG N . 52604 1
161 . 1 . 1 59 59 ILE H H 1 7.722081523 . . . . . . . . 63 ILE H . 52604 1
162 . 1 . 1 59 59 ILE CA C 13 63.50881086 0.01208723616 . . . . . . . 63 ILE CA . 52604 1
163 . 1 . 1 59 59 ILE N N 15 117.2726744 . . . . . . . . 63 ILE N . 52604 1
164 . 1 . 1 60 60 VAL H H 1 7.881747976 . . . . . . . . 64 VAL H . 52604 1
165 . 1 . 1 60 60 VAL CA C 13 65.1407797 0.002014185217 . . . . . . . 64 VAL CA . 52604 1
166 . 1 . 1 60 60 VAL N N 15 119.1715615 . . . . . . . . 64 VAL N . 52604 1
167 . 1 . 1 61 61 GLY H H 1 8.672388548 . . . . . . . . 65 GLY H . 52604 1
168 . 1 . 1 61 61 GLY CA C 13 44.71166887 0.0009558182698 . . . . . . . 65 GLY CA . 52604 1
169 . 1 . 1 61 61 GLY N N 15 113.7667399 . . . . . . . . 65 GLY N . 52604 1
170 . 1 . 1 62 62 GLN H H 1 7.483877925 . . . . . . . . 66 GLN H . 52604 1
171 . 1 . 1 62 62 GLN CA C 13 54.54569713 0.003222082781 . . . . . . . 66 GLN CA . 52604 1
172 . 1 . 1 62 62 GLN N N 15 118.2454491 . . . . . . . . 66 GLN N . 52604 1
173 . 1 . 1 63 63 ALA H H 1 8.397841656 . . . . . . . . 67 ALA H . 52604 1
174 . 1 . 1 63 63 ALA CA C 13 52.18260218 0.003818851891 . . . . . . . 67 ALA CA . 52604 1
175 . 1 . 1 63 63 ALA N N 15 124.5765807 . . . . . . . . 67 ALA N . 52604 1
176 . 1 . 1 64 64 ASP H H 1 8.201439779 . . . . . . . . 68 ASP H . 52604 1
177 . 1 . 1 64 64 ASP CA C 13 54.57288592 0.05327600613 . . . . . . . 68 ASP CA . 52604 1
178 . 1 . 1 64 64 ASP N N 15 119.0278279 . . . . . . . . 68 ASP N . 52604 1
179 . 1 . 1 65 65 GLY H H 1 8.158969913 . . . . . . . . 69 GLY H . 52604 1
180 . 1 . 1 65 65 GLY CA C 13 44.25855828 0.01722097211 . . . . . . . 69 GLY CA . 52604 1
181 . 1 . 1 65 65 GLY N N 15 108.9850652 . . . . . . . . 69 GLY N . 52604 1
182 . 1 . 1 66 66 GLU H H 1 8.223572238 . . . . . . . . 70 GLU H . 52604 1
183 . 1 . 1 66 66 GLU CA C 13 57.0049246 0.01153533162 . . . . . . . 70 GLU CA . 52604 1
184 . 1 . 1 66 66 GLU N N 15 120.8100873 . . . . . . . . 70 GLU N . 52604 1
185 . 1 . 1 67 67 LEU H H 1 8.03257732 . . . . . . . . 71 LEU H . 52604 1
186 . 1 . 1 67 67 LEU CA C 13 54.01939316 0.07080284413 . . . . . . . 71 LEU CA . 52604 1
187 . 1 . 1 67 67 LEU N N 15 125.0788859 . . . . . . . . 71 LEU N . 52604 1
188 . 1 . 1 68 68 ASN H H 1 8.62947119 . . . . . . . . 72 ASN H . 52604 1
189 . 1 . 1 68 68 ASN CA C 13 51.68579717 0.01678424888 . . . . . . . 72 ASN CA . 52604 1
190 . 1 . 1 68 68 ASN N N 15 124.4082319 . . . . . . . . 72 ASN N . 52604 1
191 . 1 . 1 69 69 ILE H H 1 9.120333939 . . . . . . . . 73 ILE H . 52604 1
192 . 1 . 1 69 69 ILE CA C 13 60.35145902 0.01959795878 . . . . . . . 73 ILE CA . 52604 1
193 . 1 . 1 69 69 ILE N N 15 123.1877051 . . . . . . . . 73 ILE N . 52604 1
194 . 1 . 1 70 70 THR H H 1 8.989608254 . . . . . . . . 74 THR H . 52604 1
195 . 1 . 1 70 70 THR CA C 13 62.07583534 0.04324547574 . . . . . . . 74 THR CA . 52604 1
196 . 1 . 1 70 70 THR N N 15 125.2619388 . . . . . . . . 74 THR N . 52604 1
197 . 1 . 1 71 71 LEU H H 1 8.659475016 . . . . . . . . 75 LEU H . 52604 1
198 . 1 . 1 71 71 LEU CA C 13 51.72578409 . . . . . . . . 75 LEU CA . 52604 1
199 . 1 . 1 71 71 LEU N N 15 128.6379945 . . . . . . . . 75 LEU N . 52604 1
200 . 1 . 1 72 72 PRO CA C 13 62.49028205 . . . . . . . . 76 PRO CA . 52604 1
201 . 1 . 1 73 73 GLU H H 1 8.55488174 . . . . . . . . 77 GLU H . 52604 1
202 . 1 . 1 73 73 GLU CA C 13 58.61225819 0.005084547285 . . . . . . . 77 GLU CA . 52604 1
203 . 1 . 1 73 73 GLU N N 15 116.8740776 . . . . . . . . 77 GLU N . 52604 1
204 . 1 . 1 74 74 GLU H H 1 8.603940397 . . . . . . . . 78 GLU H . 52604 1
205 . 1 . 1 74 74 GLU CA C 13 59.20154741 0.003081058419 . . . . . . . 78 GLU CA . 52604 1
206 . 1 . 1 74 74 GLU N N 15 118.2088624 . . . . . . . . 78 GLU N . 52604 1
207 . 1 . 1 75 75 VAL H H 1 7.891572545 . . . . . . . . 79 VAL H . 52604 1
208 . 1 . 1 75 75 VAL CA C 13 61.80684911 0.004694209884 . . . . . . . 79 VAL CA . 52604 1
209 . 1 . 1 75 75 VAL N N 15 118.673827 . . . . . . . . 79 VAL N . 52604 1
210 . 1 . 1 76 76 THR H H 1 7.130676283 . . . . . . . . 80 THR H . 52604 1
211 . 1 . 1 76 76 THR CA C 13 58.0787959 0.006892655507 . . . . . . . 80 THR CA . 52604 1
212 . 1 . 1 76 76 THR N N 15 115.0626991 . . . . . . . . 80 THR N . 52604 1
213 . 1 . 1 77 77 VAL H H 1 9.721943335 . . . . . . . . 81 VAL H . 52604 1
214 . 1 . 1 77 77 VAL CA C 13 68.06851062 0.01510328707 . . . . . . . 81 VAL CA . 52604 1
215 . 1 . 1 77 77 VAL N N 15 124.026832 . . . . . . . . 81 VAL N . 52604 1
216 . 1 . 1 78 78 LYS H H 1 8.238401318 . . . . . . . . 82 LYS H . 52604 1
217 . 1 . 1 78 78 LYS CA C 13 58.83580063 0.1210719394 . . . . . . . 82 LYS CA . 52604 1
218 . 1 . 1 78 78 LYS N N 15 118.1191969 . . . . . . . . 82 LYS N . 52604 1
219 . 1 . 1 79 79 GLY H H 1 7.47432523 . . . . . . . . 83 GLY H . 52604 1
220 . 1 . 1 79 79 GLY CA C 13 45.3253803 0.01129625634 . . . . . . . 83 GLY CA . 52604 1
221 . 1 . 1 79 79 GLY N N 15 101.7101319 . . . . . . . . 83 GLY N . 52604 1
222 . 1 . 1 80 80 PHE H H 1 8.584714832 . . . . . . . . 84 PHE H . 52604 1
223 . 1 . 1 80 80 PHE CA C 13 60.95600657 0.01148439525 . . . . . . . 84 PHE CA . 52604 1
224 . 1 . 1 80 80 PHE N N 15 118.1339921 . . . . . . . . 84 PHE N . 52604 1
225 . 1 . 1 81 81 GLU H H 1 9.11706621 . . . . . . . . 85 GLU H . 52604 1
226 . 1 . 1 81 81 GLU CA C 13 61.44913985 . . . . . . . . 85 GLU CA . 52604 1
227 . 1 . 1 81 81 GLU N N 15 121.1228159 . . . . . . . . 85 GLU N . 52604 1
228 . 1 . 1 83 83 LEU CA C 13 59.19082415 0.0626051221 . . . . . . . 87 LEU CA . 52604 1
229 . 1 . 1 84 84 ILE H H 1 8.102253438 . . . . . . . . 88 ILE H . 52604 1
230 . 1 . 1 84 84 ILE CA C 13 61.25663256 0.03856152948 . . . . . . . 88 ILE CA . 52604 1
231 . 1 . 1 84 84 ILE N N 15 123.9146661 . . . . . . . . 88 ILE N . 52604 1
232 . 1 . 1 85 85 GLN H H 1 8.606999968 . . . . . . . . 89 GLN H . 52604 1
233 . 1 . 1 85 85 GLN CA C 13 54.71841036 0.02817537915 . . . . . . . 89 GLN CA . 52604 1
234 . 1 . 1 85 85 GLN N N 15 121.6278489 . . . . . . . . 89 GLN N . 52604 1
235 . 1 . 1 86 86 PHE H H 1 6.938396275 . . . . . . . . 90 PHE H . 52604 1
236 . 1 . 1 86 86 PHE CA C 13 60.30315222 0.08867154177 . . . . . . . 90 PHE CA . 52604 1
237 . 1 . 1 86 86 PHE N N 15 109.566664 . . . . . . . . 90 PHE N . 52604 1
238 . 1 . 1 87 87 ALA H H 1 8.937043256 . . . . . . . . 91 ALA H . 52604 1
239 . 1 . 1 87 87 ALA CA C 13 53.85475796 0.00840608773 . . . . . . . 91 ALA CA . 52604 1
240 . 1 . 1 87 87 ALA N N 15 120.7861183 . . . . . . . . 91 ALA N . 52604 1
241 . 1 . 1 88 88 TYR H H 1 7.636572539 . . . . . . . . 92 TYR H . 52604 1
242 . 1 . 1 88 88 TYR CA C 13 54.85838536 . . . . . . . . 92 TYR CA . 52604 1
243 . 1 . 1 88 88 TYR N N 15 117.9420148 . . . . . . . . 92 TYR N . 52604 1
244 . 1 . 1 89 89 THR H H 1 7.319696548 . . . . . . . . 93 THR H . 52604 1
245 . 1 . 1 89 89 THR CA C 13 62.39983692 . . . . . . . . 93 THR CA . 52604 1
246 . 1 . 1 89 89 THR N N 15 103.866827 . . . . . . . . 93 THR N . 52604 1
247 . 1 . 1 92 92 LEU H H 1 9.206744957 . . . . . . . . 96 LEU H . 52604 1
248 . 1 . 1 92 92 LEU CA C 13 52.82104352 0.01388284606 . . . . . . . 96 LEU CA . 52604 1
249 . 1 . 1 92 92 LEU N N 15 128.490691 . . . . . . . . 96 LEU N . 52604 1
250 . 1 . 1 93 93 ILE H H 1 8.168650813 . . . . . . . . 97 ILE H . 52604 1
251 . 1 . 1 93 93 ILE CA C 13 60.30180498 0.06335838884 . . . . . . . 97 ILE CA . 52604 1
252 . 1 . 1 93 93 ILE N N 15 127.4360657 . . . . . . . . 97 ILE N . 52604 1
253 . 1 . 1 94 94 LEU H H 1 8.724283279 . . . . . . . . 98 LEU H . 52604 1
254 . 1 . 1 94 94 LEU CA C 13 52.54525354 0.008203339531 . . . . . . . 98 LEU CA . 52604 1
255 . 1 . 1 94 94 LEU N N 15 126.3863298 . . . . . . . . 98 LEU N . 52604 1
256 . 1 . 1 95 95 SER H H 1 8.963229062 . . . . . . . . 99 SER H . 52604 1
257 . 1 . 1 95 95 SER CA C 13 55.54565486 0.02141391858 . . . . . . . 99 SER CA . 52604 1
258 . 1 . 1 95 95 SER N N 15 115.4008235 . . . . . . . . 99 SER N . 52604 1
259 . 1 . 1 96 96 LYS H H 1 8.88303637 . . . . . . . . 100 LYS H . 52604 1
260 . 1 . 1 96 96 LYS CA C 13 59.08366449 0.0190321114 . . . . . . . 100 LYS CA . 52604 1
261 . 1 . 1 96 96 LYS N N 15 120.6177696 . . . . . . . . 100 LYS N . 52604 1
262 . 1 . 1 97 97 GLU H H 1 7.969840812 . . . . . . . . 101 GLU H . 52604 1
263 . 1 . 1 97 97 GLU CA C 13 58.19461226 0.00589966311 . . . . . . . 101 GLU CA . 52604 1
264 . 1 . 1 97 97 GLU N N 15 114.5578689 . . . . . . . . 101 GLU N . 52604 1
265 . 1 . 1 98 98 ASN H H 1 7.736998597 . . . . . . . . 102 ASN H . 52604 1
266 . 1 . 1 98 98 ASN CA C 13 51.94070296 0.04670186061 . . . . . . . 102 ASN CA . 52604 1
267 . 1 . 1 98 98 ASN N N 15 115.4309345 . . . . . . . . 102 ASN N . 52604 1
268 . 1 . 1 99 99 VAL H H 1 7.894309426 . . . . . . . . 103 VAL H . 52604 1
269 . 1 . 1 99 99 VAL CA C 13 66.98744937 0.003182277728 . . . . . . . 103 VAL CA . 52604 1
270 . 1 . 1 99 99 VAL N N 15 121.3348506 . . . . . . . . 103 VAL N . 52604 1
271 . 1 . 1 100 100 ASP H H 1 7.962901062 . . . . . . . . 104 ASP H . 52604 1
272 . 1 . 1 100 100 ASP CA C 13 57.51380388 0.0120697581 . . . . . . . 104 ASP CA . 52604 1
273 . 1 . 1 100 100 ASP N N 15 120.8819526 . . . . . . . . 104 ASP N . 52604 1
274 . 1 . 1 101 101 GLU H H 1 8.139141008 . . . . . . . . 105 GLU H . 52604 1
275 . 1 . 1 101 101 GLU CA C 13 59.14749397 0.003066681567 . . . . . . . 105 GLU CA . 52604 1
276 . 1 . 1 101 101 GLU N N 15 120.7238489 . . . . . . . . 105 GLU N . 52604 1
277 . 1 . 1 102 102 VAL H H 1 8.854232697 . . . . . . . . 106 VAL H . 52604 1
278 . 1 . 1 102 102 VAL CA C 13 66.3324387 . . . . . . . . 106 VAL CA . 52604 1
279 . 1 . 1 102 102 VAL N N 15 120.7229876 . . . . . . . . 106 VAL N . 52604 1
280 . 1 . 1 103 103 CYS H H 1 7.979295476 . . . . . . . . 107 CYS H . 52604 1
281 . 1 . 1 103 103 CYS CA C 13 59.46939478 0.01289673685 . . . . . . . 107 CYS CA . 52604 1
282 . 1 . 1 103 103 CYS N N 15 119.9764498 . . . . . . . . 107 CYS N . 52604 1
283 . 1 . 1 104 104 LYS H H 1 7.750584518 . . . . . . . . 108 LYS H . 52604 1
284 . 1 . 1 104 104 LYS CA C 13 59.5082416 0.08943026606 . . . . . . . 108 LYS CA . 52604 1
285 . 1 . 1 104 104 LYS N N 15 118.441789 . . . . . . . . 108 LYS N . 52604 1
286 . 1 . 1 105 105 CYS H H 1 8.007165979 . . . . . . . . 109 CYS H . 52604 1
287 . 1 . 1 105 105 CYS CA C 13 64.70609607 0.01965441184 . . . . . . . 109 CYS CA . 52604 1
288 . 1 . 1 105 105 CYS N N 15 119.1715585 . . . . . . . . 109 CYS N . 52604 1
289 . 1 . 1 106 106 VAL H H 1 8.757020302 . . . . . . . . 110 VAL H . 52604 1
290 . 1 . 1 106 106 VAL CA C 13 67.6447488 0.03301775083 . . . . . . . 110 VAL CA . 52604 1
291 . 1 . 1 106 106 VAL N N 15 122.7221291 . . . . . . . . 110 VAL N . 52604 1
292 . 1 . 1 107 107 GLU H H 1 7.093804631 . . . . . . . . 111 GLU H . 52604 1
293 . 1 . 1 107 107 GLU CA C 13 58.28997615 0.03727987362 . . . . . . . 111 GLU CA . 52604 1
294 . 1 . 1 107 107 GLU N N 15 116.4261171 . . . . . . . . 111 GLU N . 52604 1
295 . 1 . 1 108 108 PHE H H 1 8.391614837 . . . . . . . . 112 PHE H . 52604 1
296 . 1 . 1 108 108 PHE CA C 13 61.71959531 0.027659155 . . . . . . . 112 PHE CA . 52604 1
297 . 1 . 1 108 108 PHE N N 15 120.0339401 . . . . . . . . 112 PHE N . 52604 1
298 . 1 . 1 109 109 LEU H H 1 8.198238355 . . . . . . . . 113 LEU H . 52604 1
299 . 1 . 1 109 109 LEU CA C 13 53.63056042 0.002429234817 . . . . . . . 113 LEU CA . 52604 1
300 . 1 . 1 109 109 LEU N N 15 111.80183 . . . . . . . . 113 LEU N . 52604 1
301 . 1 . 1 110 110 SER H H 1 8.007165979 . . . . . . . . 114 SER H . 52604 1
302 . 1 . 1 110 110 SER CA C 13 58.6669217 0.01300795699 . . . . . . . 114 SER CA . 52604 1
303 . 1 . 1 110 110 SER N N 15 120.8388334 . . . . . . . . 114 SER N . 52604 1
304 . 1 . 1 111 111 VAL H H 1 7.096125791 . . . . . . . . 115 VAL H . 52604 1
305 . 1 . 1 111 111 VAL CA C 13 62.39987252 0.006202814176 . . . . . . . 115 VAL CA . 52604 1
306 . 1 . 1 111 111 VAL N N 15 118.7331786 . . . . . . . . 115 VAL N . 52604 1
307 . 1 . 1 112 112 HIS H H 1 7.597442565 . . . . . . . . 116 HIS H . 52604 1
308 . 1 . 1 112 112 HIS CA C 13 54.12579507 0.003519402399 . . . . . . . 116 HIS CA . 52604 1
309 . 1 . 1 112 112 HIS N N 15 124.5536731 . . . . . . . . 116 HIS N . 52604 1
310 . 1 . 1 113 113 ASN H H 1 8.68239183 . . . . . . . . 117 ASN H . 52604 1
311 . 1 . 1 113 113 ASN CA C 13 54.45957677 0.03926733136 . . . . . . . 117 ASN CA . 52604 1
312 . 1 . 1 113 113 ASN N N 15 109.4659512 . . . . . . . . 117 ASN N . 52604 1
313 . 1 . 1 114 114 ILE H H 1 7.835023898 . . . . . . . . 118 ILE H . 52604 1
314 . 1 . 1 114 114 ILE CA C 13 60.1670269 0.005167694185 . . . . . . . 118 ILE CA . 52604 1
315 . 1 . 1 114 114 ILE N N 15 119.1715615 . . . . . . . . 118 ILE N . 52604 1
316 . 1 . 1 115 115 GLU H H 1 7.60786812 . . . . . . . . 119 GLU H . 52604 1
317 . 1 . 1 115 115 GLU CA C 13 55.13474781 0.03078971777 . . . . . . . 119 GLU CA . 52604 1
318 . 1 . 1 115 115 GLU N N 15 126.2656404 . . . . . . . . 119 GLU N . 52604 1
319 . 1 . 1 116 116 GLU H H 1 8.857500265 . . . . . . . . 120 GLU H . 52604 1
320 . 1 . 1 116 116 GLU CA C 13 58.79384049 0.005085024052 . . . . . . . 120 GLU CA . 52604 1
321 . 1 . 1 116 116 GLU N N 15 124.0715344 . . . . . . . . 120 GLU N . 52604 1
322 . 1 . 1 117 117 SER H H 1 8.468814729 . . . . . . . . 121 SER H . 52604 1
323 . 1 . 1 117 117 SER CA C 13 60.84505774 0.01637150346 . . . . . . . 121 SER CA . 52604 1
324 . 1 . 1 117 117 SER N N 15 114.9924152 . . . . . . . . 121 SER N . 52604 1
325 . 1 . 1 118 118 CYS H H 1 7.28987795 . . . . . . . . 122 CYS H . 52604 1
326 . 1 . 1 118 118 CYS CA C 13 57.53082968 0.001198546488 . . . . . . . 122 CYS CA . 52604 1
327 . 1 . 1 118 118 CYS N N 15 118.8044499 . . . . . . . . 122 CYS N . 52604 1
328 . 1 . 1 119 119 PHE H H 1 7.375915029 . . . . . . . . 123 PHE H . 52604 1
329 . 1 . 1 119 119 PHE CA C 13 58.82451149 0.0006502212755 . . . . . . . 123 PHE CA . 52604 1
330 . 1 . 1 119 119 PHE N N 15 114.338107 . . . . . . . . 123 PHE N . 52604 1
331 . 1 . 1 120 120 GLN H H 1 7.247198279 . . . . . . . . 124 GLN H . 52604 1
332 . 1 . 1 120 120 GLN CA C 13 57.15623839 0.01733941585 . . . . . . . 124 GLN CA . 52604 1
333 . 1 . 1 120 120 GLN N N 15 117.9135579 . . . . . . . . 124 GLN N . 52604 1
334 . 1 . 1 121 121 PHE H H 1 7.510728594 . . . . . . . . 125 PHE H . 52604 1
335 . 1 . 1 121 121 PHE CA C 13 58.04882576 0.002417688254 . . . . . . . 125 PHE CA . 52604 1
336 . 1 . 1 121 121 PHE N N 15 116.0604982 . . . . . . . . 125 PHE N . 52604 1
337 . 1 . 1 122 122 LEU H H 1 7.192324416 . . . . . . . . 126 LEU H . 52604 1
338 . 1 . 1 122 122 LEU CA C 13 54.9922001 0.03626144118 . . . . . . . 126 LEU CA . 52604 1
339 . 1 . 1 122 122 LEU N N 15 119.4102565 . . . . . . . . 126 LEU N . 52604 1
340 . 1 . 1 123 123 LYS H H 1 7.478279122 . . . . . . . . 127 LYS H . 52604 1
341 . 1 . 1 123 123 LYS CA C 13 55.6023944 0.002186852461 . . . . . . . 127 LYS CA . 52604 1
342 . 1 . 1 123 123 LYS N N 15 120.7800183 . . . . . . . . 127 LYS N . 52604 1
343 . 1 . 1 124 124 PHE H H 1 7.52630978 . . . . . . . . 128 PHE H . 52604 1
344 . 1 . 1 124 124 PHE CA C 13 58.98631851 . . . . . . . . 128 PHE CA . 52604 1
345 . 1 . 1 124 124 PHE N N 15 125.5039579 . . . . . . . . 128 PHE N . 52604 1
stop_
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