###################################
# 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_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 15953
_Assigned_chem_shift_list.ID 1
_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 $chemical_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' . . . 15953 1
2 '3D CBCA(CO)NH' . . . 15953 1
3 '3D HCCH-TOCSY' . . . 15953 1
4 '3D HNCA' . . . 15953 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_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.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 SER H H 1 8.65 0.05 . . . . . . 2 SER H . 15953 1
2 . 1 1 2 2 SER CA C 13 58.3372075698676 . . . . . . . 2 SER CA . 15953 1
3 . 1 1 2 2 SER CB C 13 63.7902766638383 . . . . . . . 2 SER CB . 15953 1
4 . 1 1 2 2 SER N N 15 120.991974894372 0.3 . . . . . . 2 SER N . 15953 1
5 . 1 1 3 3 ASP H H 1 8.50701868204068 0.05 . . . . . . 3 ASP H . 15953 1
6 . 1 1 3 3 ASP CA C 13 54.4233754443152 . . . . . . . 3 ASP CA . 15953 1
7 . 1 1 3 3 ASP CB C 13 41.1367324420915 . . . . . . . 3 ASP CB . 15953 1
8 . 1 1 3 3 ASP N N 15 122.918028078833 0.3 . . . . . . 3 ASP N . 15953 1
9 . 1 1 4 4 ARG H H 1 8.31141167129186 0.05 . . . . . . 4 ARG H . 15953 1
10 . 1 1 4 4 ARG CA C 13 55.6512443464493 . . . . . . . 4 ARG CA . 15953 1
11 . 1 1 4 4 ARG CB C 13 30.8887005322537 . . . . . . . 4 ARG CB . 15953 1
12 . 1 1 4 4 ARG N N 15 121.271113037047 0.3 . . . . . . 4 ARG N . 15953 1
13 . 1 1 5 5 LYS H H 1 8.28745854790343 0.05 . . . . . . 5 LYS H . 15953 1
14 . 1 1 5 5 LYS CA C 13 56.1116951847496 . . . . . . . 5 LYS CA . 15953 1
15 . 1 1 5 5 LYS CB C 13 33.0461809343248 . . . . . . . 5 LYS CB . 15953 1
16 . 1 1 5 5 LYS N N 15 122.160562649378 0.3 . . . . . . 5 LYS N . 15953 1
17 . 1 1 6 6 ALA H H 1 8.58010649553678 0.05 . . . . . . 6 ALA H . 15953 1
18 . 1 1 6 6 ALA CA C 13 51.6606704145135 . . . . . . . 6 ALA CA . 15953 1
19 . 1 1 6 6 ALA CB C 13 21.1800387229336 . . . . . . . 6 ALA CB . 15953 1
20 . 1 1 6 6 ALA N N 15 126.583939120266 0.3 . . . . . . 6 ALA N . 15953 1
21 . 1 1 7 7 VAL H H 1 8.93819653083943 0.05 . . . . . . 7 VAL H . 15953 1
22 . 1 1 7 7 VAL CA C 13 61.9440724698866 . . . . . . . 7 VAL CA . 15953 1
23 . 1 1 7 7 VAL CB C 13 34.1249211353603 . . . . . . . 7 VAL CB . 15953 1
24 . 1 1 7 7 VAL N N 15 123.128779060137 0.3 . . . . . . 7 VAL N . 15953 1
25 . 1 1 8 8 ILE H H 1 9.14092424038841 0.05 . . . . . . 8 ILE H . 15953 1
26 . 1 1 8 8 ILE CA C 13 61.7905888571198 . . . . . . . 8 ILE CA . 15953 1
27 . 1 1 8 8 ILE CB C 13 37.0015616714552 . . . . . . . 8 ILE CB . 15953 1
28 . 1 1 8 8 ILE N N 15 128.870707896813 0.3 . . . . . . 8 ILE N . 15953 1
29 . 1 1 9 9 LYS H H 1 8.78373732356401 0.05 . . . . . . 9 LYS H . 15953 1
30 . 1 1 9 9 LYS CA C 13 56.4186624102831 . . . . . . . 9 LYS CA . 15953 1
31 . 1 1 9 9 LYS CB C 13 32.3270208003011 . . . . . . . 9 LYS CB . 15953 1
32 . 1 1 9 9 LYS N N 15 129.0154624053 0.3 . . . . . . 9 LYS N . 15953 1
33 . 1 1 10 10 ASN H H 1 8.03798896343738 0.05 . . . . . . 10 ASN H . 15953 1
34 . 1 1 10 10 ASN CA C 13 53.1955065421811 . . . . . . . 10 ASN CA . 15953 1
35 . 1 1 10 10 ASN CB C 13 42.395262676633 . . . . . . . 10 ASN CB . 15953 1
36 . 1 1 10 10 ASN N N 15 113.912742019758 0.3 . . . . . . 10 ASN N . 15953 1
37 . 1 1 11 11 ALA H H 1 8.54573334985972 0.05 . . . . . . 11 ALA H . 15953 1
38 . 1 1 11 11 ALA CA C 13 52.4280884783473 . . . . . . . 11 ALA CA . 15953 1
39 . 1 1 11 11 ALA CB C 13 21.8991988569573 . . . . . . . 11 ALA CB . 15953 1
40 . 1 1 11 11 ALA N N 15 122.814737626453 0.3 . . . . . . 11 ALA N . 15953 1
41 . 1 1 12 12 ASP H H 1 7.87646798402994 0.05 . . . . . . 12 ASP H . 15953 1
42 . 1 1 12 12 ASP CA C 13 53.8094409932481 . . . . . . . 12 ASP CA . 15953 1
43 . 1 1 12 12 ASP CB C 13 41.6761025426093 . . . . . . . 12 ASP CB . 15953 1
44 . 1 1 12 12 ASP N N 15 120.077408784939 0.3 . . . . . . 12 ASP N . 15953 1
45 . 1 1 13 13 MET H H 1 7.71875590386461 0.05 . . . . . . 13 MET H . 15953 1
46 . 1 1 13 13 MET CA C 13 55.9582115719828 . . . . . . . 13 MET CA . 15953 1
47 . 1 1 13 13 MET CB C 13 36.6419816044433 . . . . . . . 13 MET CB . 15953 1
48 . 1 1 13 13 MET N N 15 120.020082526478 0.3 . . . . . . 13 MET N . 15953 1
49 . 1 1 14 14 SER H H 1 8.94176904152513 0.05 . . . . . . 14 SER H . 15953 1
50 . 1 1 14 14 SER CA C 13 58.2604657634843 . . . . . . . 14 SER CA . 15953 1
51 . 1 1 14 14 SER CB C 13 64.3296467643561 . . . . . . . 14 SER CB . 15953 1
52 . 1 1 14 14 SER N N 15 121.456000115131 0.3 . . . . . . 14 SER N . 15953 1
53 . 1 1 15 15 GLU H H 1 9.21332699379876 0.05 . . . . . . 15 GLU H . 15953 1
54 . 1 1 15 15 GLU CA C 13 60.7162035677525 . . . . . . . 15 GLU CA . 15953 1
55 . 1 1 15 15 GLU CB C 13 29.0908001971944 . . . . . . . 15 GLU CB . 15953 1
56 . 1 1 15 15 GLU N N 15 122.93577304882 0.3 . . . . . . 15 GLU N . 15953 1
57 . 1 1 16 16 GLU H H 1 9.00577243402242 0.05 . . . . . . 16 GLU H . 15953 1
58 . 1 1 16 16 GLU CA C 13 59.9487855039187 . . . . . . . 16 GLU CA . 15953 1
59 . 1 1 16 16 GLU CB C 13 29.0908001971944 . . . . . . . 16 GLU CB . 15953 1
60 . 1 1 16 16 GLU N N 15 118.955024065411 0.3 . . . . . . 16 GLU N . 15953 1
61 . 1 1 17 17 MET H H 1 7.53840996490595 0.05 . . . . . . 17 MET H . 15953 1
62 . 1 1 17 17 MET CA C 13 60.0 . . . . . . . 17 MET CA . 15953 1
63 . 1 1 17 17 MET CB C 13 33.0461809343248 . . . . . . . 17 MET CB . 15953 1
64 . 1 1 17 17 MET N N 15 120.619700913018 0.3 . . . . . . 17 MET N . 15953 1
65 . 1 1 18 18 GLN H H 1 8.37828190446604 0.05 . . . . . . 18 GLN H . 15953 1
66 . 1 1 18 18 GLN CA C 13 59.7953018911519 . . . . . . . 18 GLN CA . 15953 1
67 . 1 1 18 18 GLN CB C 13 28.3716400631707 . . . . . . . 18 GLN CB . 15953 1
68 . 1 1 18 18 GLN N N 15 118.68964079985 0.3 . . . . . . 18 GLN N . 15953 1
69 . 1 1 19 19 GLN H H 1 7.85288640734451 0.05 . . . . . . 19 GLN H . 15953 1
70 . 1 1 19 19 GLN CA C 13 58.2167856251546 . . . . . . . 19 GLN CA . 15953 1
71 . 1 1 19 19 GLN CB C 13 28.0120599961588 . . . . . . . 19 GLN CB . 15953 1
72 . 1 1 19 19 GLN N N 15 116.852675264262 0.3 . . . . . . 19 GLN N . 15953 1
73 . 1 1 20 20 ASP H H 1 7.8346195825916 0.05 . . . . . . 20 ASP H . 15953 1
74 . 1 1 20 20 ASP CA C 13 57.1860804741169 . . . . . . . 20 ASP CA . 15953 1
75 . 1 1 20 20 ASP CB C 13 40.0 . . . . . . . 20 ASP CB . 15953 1
76 . 1 1 20 20 ASP N N 15 119.484628923924 0.3 . . . . . . 20 ASP N . 15953 1
77 . 1 1 21 21 ALA H H 1 8.59066331446973 0.05 . . . . . . 21 ALA H . 15953 1
78 . 1 1 21 21 ALA CA C 13 56.1116951847496 . . . . . . . 21 ALA CA . 15953 1
79 . 1 1 21 21 ALA CB C 13 18.3033981868387 . . . . . . . 21 ALA CB . 15953 1
80 . 1 1 21 21 ALA N N 15 124.093809116721 0.3 . . . . . . 21 ALA N . 15953 1
81 . 1 1 22 22 VAL H H 1 7.64942752013516 0.05 . . . . . . 22 VAL H . 15953 1
82 . 1 1 22 22 VAL CA C 13 66.855548078423 . . . . . . . 22 VAL CA . 15953 1
83 . 1 1 22 22 VAL CB C 13 31.2482805992655 . . . . . . . 22 VAL CB . 15953 1
84 . 1 1 22 22 VAL N N 15 117.652233489022 0.3 . . . . . . 22 VAL N . 15953 1
85 . 1 1 23 23 ASP H H 1 8.86579377742907 0.05 . . . . . . 23 ASP H . 15953 1
86 . 1 1 23 23 ASP CA C 13 58.1069821507175 . . . . . . . 23 ASP CA . 15953 1
87 . 1 1 23 23 ASP CB C 13 40.2377822745619 . . . . . . . 23 ASP CB . 15953 1
88 . 1 1 23 23 ASP N N 15 123.949054608234 0.3 . . . . . . 23 ASP N . 15953 1
89 . 1 1 24 24 CYS H H 1 9.05886778652335 0.05 . . . . . . 24 CYS H . 15953 1
90 . 1 1 24 24 CYS CA C 13 63.4789085975542 . . . . . . . 24 CYS CA . 15953 1
91 . 1 1 24 24 CYS CB C 13 27.652479929147 . . . . . . . 24 CYS CB . 15953 1
92 . 1 1 24 24 CYS N N 15 119.727048110678 0.3 . . . . . . 24 CYS N . 15953 1
93 . 1 1 25 25 ALA H H 1 8.59549016469709 0.05 . . . . . . 25 ALA H . 15953 1
94 . 1 1 25 25 ALA CA C 13 55.190793508149 . . . . . . . 25 ALA CA . 15953 1
95 . 1 1 25 25 ALA CB C 13 19.7417184548862 . . . . . . . 25 ALA CB . 15953 1
96 . 1 1 25 25 ALA N N 15 121.657108223846 0.3 . . . . . . 25 ALA N . 15953 1
97 . 1 1 26 26 THR H H 1 8.5013252379639 0.05 . . . . . . 26 THR H . 15953 1
98 . 1 1 26 26 THR CA C 13 67.7764497550236 . . . . . . . 26 THR CA . 15953 1
99 . 1 1 26 26 THR CB C 13 68.2850275014865 . . . . . . . 26 THR CB . 15953 1
100 . 1 1 26 26 THR N N 15 115.412253730163 0.3 . . . . . . 26 THR N . 15953 1
101 . 1 1 27 27 GLN H H 1 7.84706350555745 0.05 . . . . . . 27 GLN H . 15953 1
102 . 1 1 27 27 GLN CA C 13 58.5674329890178 . . . . . . . 27 GLN CA . 15953 1
103 . 1 1 27 27 GLN CB C 13 28.3716400631707 . . . . . . . 27 GLN CB . 15953 1
104 . 1 1 27 27 GLN N N 15 120.15550923798 0.3 . . . . . . 27 GLN N . 15953 1
105 . 1 1 28 28 ALA H H 1 8.46999205878581 0.05 . . . . . . 28 ALA H . 15953 1
106 . 1 1 28 28 ALA CA C 13 55.190793508149 . . . . . . . 28 ALA CA . 15953 1
107 . 1 1 28 28 ALA CB C 13 20.101298521898 . . . . . . . 28 ALA CB . 15953 1
108 . 1 1 28 28 ALA N N 15 122.284377760626 0.3 . . . . . . 28 ALA N . 15953 1
109 . 1 1 29 29 LEU H H 1 8.14176624332555 0.05 . . . . . . 29 LEU H . 15953 1
110 . 1 1 29 29 LEU CA C 13 57.0325968613502 . . . . . . . 29 LEU CA . 15953 1
111 . 1 1 29 29 LEU CB C 13 41.6761025426093 . . . . . . . 29 LEU CB . 15953 1
112 . 1 1 29 29 LEU N N 15 115.96343089 0.3 . . . . . . 29 LEU N . 15953 1
113 . 1 1 30 30 GLU H H 1 7.32625113368824 0.05 . . . . . . 30 GLU H . 15953 1
114 . 1 1 30 30 GLU CA C 13 57.0325968613502 . . . . . . . 30 GLU CA . 15953 1
115 . 1 1 30 30 GLU CB C 13 29.8099603312181 . . . . . . . 30 GLU CB . 15953 1
116 . 1 1 30 30 GLU N N 15 116.78929730465 0.3 . . . . . . 30 GLU N . 15953 1
117 . 1 1 31 31 LYS H H 1 7.20413627116012 0.05 . . . . . . 31 LYS H . 15953 1
118 . 1 1 31 31 LYS CA C 13 57.6465313124172 . . . . . . . 31 LYS CA . 15953 1
119 . 1 1 31 31 LYS CB C 13 35.5632414034078 . . . . . . . 31 LYS CB . 15953 1
120 . 1 1 31 31 LYS N N 15 117.363179039589 0.3 . . . . . . 31 LYS N . 15953 1
121 . 1 1 32 32 TYR H H 1 8.27209119946419 0.05 . . . . . . 32 TYR H . 15953 1
122 . 1 1 32 32 TYR CA C 13 57.0325968613502 . . . . . . . 32 TYR CA . 15953 1
123 . 1 1 32 32 TYR CB C 13 42.395262676633 . . . . . . . 32 TYR CB . 15953 1
124 . 1 1 32 32 TYR N N 15 117.242095714974 0.3 . . . . . . 32 TYR N . 15953 1
125 . 1 1 33 33 ASN H H 1 8.46275178344478 0.05 . . . . . . 33 ASN H . 15953 1
126 . 1 1 33 33 ASN CA C 13 52.7350557038808 . . . . . . . 33 ASN CA . 15953 1
127 . 1 1 33 33 ASN CB C 13 40.2377822745619 . . . . . . . 33 ASN CB . 15953 1
128 . 1 1 33 33 ASN N N 15 114.009245025417 0.3 . . . . . . 33 ASN N . 15953 1
129 . 1 1 34 34 ILE H H 1 7.86180893013886 0.05 . . . . . . 34 ILE H . 15953 1
130 . 1 1 34 34 ILE CA C 13 60.0 . . . . . . . 34 ILE CA . 15953 1
131 . 1 1 34 34 ILE CB C 13 38.4398819395026 . . . . . . . 34 ILE CB . 15953 1
132 . 1 1 34 34 ILE N N 15 121.198718946969 0.3 . . . . . . 34 ILE N . 15953 1
133 . 1 1 35 35 GLU H H 1 9.88908602562872 0.05 . . . . . . 35 GLU H . 15953 1
134 . 1 1 35 35 GLU CA C 13 62.2510396954201 . . . . . . . 35 GLU CA . 15953 1
135 . 1 1 35 35 GLU CB C 13 28.3716400631707 . . . . . . . 35 GLU CB . 15953 1
136 . 1 1 35 35 GLU N N 15 129.690983444909 0.3 . . . . . . 35 GLU N . 15953 1
137 . 1 1 36 36 LYS H H 1 8.5279142615141 0.05 . . . . . . 36 LYS H . 15953 1
138 . 1 1 36 36 LYS CA C 13 59.4883346656184 . . . . . . . 36 LYS CA . 15953 1
139 . 1 1 36 36 LYS CB C 13 31.9674407332892 . . . . . . . 36 LYS CB . 15953 1
140 . 1 1 36 36 LYS N N 15 116.301191409804 0.3 . . . . . . 36 LYS N . 15953 1
141 . 1 1 37 37 ASP H H 1 7.08951289376177 0.05 . . . . . . 37 ASP H . 15953 1
142 . 1 1 37 37 ASP CA C 13 56.5721460230499 . . . . . . . 37 ASP CA . 15953 1
143 . 1 1 37 37 ASP CB C 13 39.87820220755 . . . . . . . 37 ASP CB . 15953 1
144 . 1 1 37 37 ASP N N 15 120.619700913018 0.3 . . . . . . 37 ASP N . 15953 1
145 . 1 1 38 38 ILE H H 1 7.74596452468229 0.05 . . . . . . 38 ILE H . 15953 1
146 . 1 1 38 38 ILE CA C 13 65.7811627890556 . . . . . . . 38 ILE CA . 15953 1
147 . 1 1 38 38 ILE CB C 13 38.4398819395026 . . . . . . . 38 ILE CB . 15953 1
148 . 1 1 38 38 ILE N N 15 122.815144291747 0.3 . . . . . . 38 ILE N . 15953 1
149 . 1 1 39 39 ALA H H 1 8.1706248165249 0.05 . . . . . . 39 ALA H . 15953 1
150 . 1 1 39 39 ALA CA C 13 55.0373098953822 . . . . . . . 39 ALA CA . 15953 1
151 . 1 1 39 39 ALA CB C 13 18.3033981868387 . . . . . . . 39 ALA CB . 15953 1
152 . 1 1 39 39 ALA N N 15 119.10518283023 0.3 . . . . . . 39 ALA N . 15953 1
153 . 1 1 40 40 ALA H H 1 7.60598586808895 0.05 . . . . . . 40 ALA H . 15953 1
154 . 1 1 40 40 ALA CA C 13 54.8838262826155 . . . . . . . 40 ALA CA . 15953 1
155 . 1 1 40 40 ALA CB C 13 18.3033981868387 . . . . . . . 40 ALA CB . 15953 1
156 . 1 1 40 40 ALA N N 15 117.652233489022 0.3 . . . . . . 40 ALA N . 15953 1
157 . 1 1 41 41 TYR H H 1 7.68321547172665 0.05 . . . . . . 41 TYR H . 15953 1
158 . 1 1 41 41 TYR CA C 13 61.9440724698866 . . . . . . . 41 TYR CA . 15953 1
159 . 1 1 41 41 TYR CB C 13 38.4398819395026 . . . . . . . 41 TYR CB . 15953 1
160 . 1 1 41 41 TYR N N 15 119.2686588338 0.3 . . . . . . 41 TYR N . 15953 1
161 . 1 1 42 42 ILE H H 1 7.69286917218137 0.05 . . . . . . 42 ILE H . 15953 1
162 . 1 1 42 42 ILE CA C 13 65.6276791762889 . . . . . . . 42 ILE CA . 15953 1
163 . 1 1 42 42 ILE CB C 13 38.0803018724907 . . . . . . . 42 ILE CB . 15953 1
164 . 1 1 42 42 ILE N N 15 118.617263545606 0.3 . . . . . . 42 ILE N . 15953 1
165 . 1 1 43 43 LYS H H 1 8.17555419491705 0.05 . . . . . . 43 LYS H . 15953 1
166 . 1 1 43 43 LYS CA C 13 60.5627199549857 . . . . . . . 43 LYS CA . 15953 1
167 . 1 1 43 43 LYS CB C 13 33.4057610013366 . . . . . . . 43 LYS CB . 15953 1
168 . 1 1 43 43 LYS N N 15 117.579856234778 0.3 . . . . . . 43 LYS N . 15953 1
169 . 1 1 44 44 LYS H H 1 8.084728807838 0.05 . . . . . . 44 LYS H . 15953 1
170 . 1 1 44 44 LYS CA C 13 59.4883346656184 . . . . . . . 44 LYS CA . 15953 1
171 . 1 1 44 44 LYS CB C 13 31.9674407332892 . . . . . . . 44 LYS CB . 15953 1
172 . 1 1 44 44 LYS N N 15 117.913342528035 0.3 . . . . . . 44 LYS N . 15953 1
173 . 1 1 45 45 GLU H H 1 7.75609897894972 0.05 . . . . . . 45 GLU H . 15953 1
174 . 1 1 45 45 GLU CA C 13 58.7209166017846 . . . . . . . 45 GLU CA . 15953 1
175 . 1 1 45 45 GLU CB C 13 30.1695403982299 . . . . . . . 45 GLU CB . 15953 1
176 . 1 1 45 45 GLU N N 15 118.733617149444 0.3 . . . . . . 45 GLU N . 15953 1
177 . 1 1 46 46 PHE H H 1 8.38793560492075 0.05 . . . . . . 46 PHE H . 15953 1
178 . 1 1 46 46 PHE CA C 13 63.4789085975542 . . . . . . . 46 PHE CA . 15953 1
179 . 1 1 46 46 PHE CB C 13 36.2824015374315 . . . . . . . 46 PHE CB . 15953 1
180 . 1 1 46 46 PHE N N 15 123.611294088429 0.3 . . . . . . 46 PHE N . 15953 1
181 . 1 1 47 47 ASP H H 1 9.00094558379507 0.05 . . . . . . 47 ASP H . 15953 1
182 . 1 1 47 47 ASP CA C 13 57.4930476996505 . . . . . . . 47 ASP CA . 15953 1
183 . 1 1 47 47 ASP CB C 13 39.87820220755 . . . . . . . 47 ASP CB . 15953 1
184 . 1 1 47 47 ASP N N 15 120.257814641799 0.3 . . . . . . 47 ASP N . 15953 1
185 . 1 1 48 48 LYS H H 1 7.39360445808525 0.05 . . . . . . 48 LYS H . 15953 1
186 . 1 1 48 48 LYS CA C 13 59.0278838273181 . . . . . . . 48 LYS CA . 15953 1
187 . 1 1 48 48 LYS CB C 13 33.0461809343248 . . . . . . . 48 LYS CB . 15953 1
188 . 1 1 48 48 LYS N N 15 117.266221466388 0.3 . . . . . . 48 LYS N . 15953 1
189 . 1 1 49 49 LYS H H 1 7.77492562604643 0.05 . . . . . . 49 LYS H . 15953 1
190 . 1 1 49 49 LYS CA C 13 59.1813674400848 . . . . . . . 49 LYS CA . 15953 1
191 . 1 1 49 49 LYS CB C 13 33.7653410683485 . . . . . . . 49 LYS CB . 15953 1
192 . 1 1 49 49 LYS N N 15 117.507478980534 0.3 . . . . . . 49 LYS N . 15953 1
193 . 1 1 50 50 TYR H H 1 8.46485536003135 0.05 . . . . . . 50 TYR H . 15953 1
194 . 1 1 50 50 TYR CA C 13 57.9534985379507 . . . . . . . 50 TYR CA . 15953 1
195 . 1 1 50 50 TYR CB C 13 39.1590420735263 . . . . . . . 50 TYR CB . 15953 1
196 . 1 1 50 50 TYR N N 15 115.448313414211 0.3 . . . . . . 50 TYR N . 15953 1
197 . 1 1 51 51 ASN H H 1 6.94434915125794 0.05 . . . . . . 51 ASN H . 15953 1
198 . 1 1 51 51 ASN CA C 13 55.190793508149 . . . . . . . 51 ASN CA . 15953 1
199 . 1 1 51 51 ASN CB C 13 40.0 . . . . . . . 51 ASN CB . 15953 1
200 . 1 1 51 51 ASN N N 15 112.624995185006 0.3 . . . . . . 51 ASN N . 15953 1
201 . 1 1 52 52 PRO CA C 13 60.5627199549857 . . . . . . . 52 PRO CA . 15953 1
202 . 1 1 52 52 PRO CB C 13 31.9674407332892 . . . . . . . 52 PRO CB . 15953 1
203 . 1 1 52 52 PRO N N 15 119.644599641986 0.3 . . . . . . 52 PRO N . 15953 1
204 . 1 1 53 53 THR H H 1 7.95338098197481 0.05 . . . . . . 53 THR H . 15953 1
205 . 1 1 53 53 THR CA C 13 64.8602611124551 . . . . . . . 53 THR CA . 15953 1
206 . 1 1 53 53 THR CB C 13 70.4425079035576 . . . . . . . 53 THR CB . 15953 1
207 . 1 1 53 53 THR N N 15 119.596284180994 0.3 . . . . . . 53 THR N . 15953 1
208 . 1 1 54 54 TRP H H 1 10.0604392086999 0.05 . . . . . . 54 TRP H . 15953 1
209 . 1 1 54 54 TRP CA C 13 56.5721460230499 . . . . . . . 54 TRP CA . 15953 1
210 . 1 1 54 54 TRP CB C 13 29.4503802642062 . . . . . . . 54 TRP CB . 15953 1
211 . 1 1 54 54 TRP N N 15 129.160216913788 0.3 . . . . . . 54 TRP N . 15953 1
212 . 1 1 55 55 LYS H H 1 9.21332699379876 0.05 . . . . . . 55 LYS H . 15953 1
213 . 1 1 55 55 LYS CA C 13 54.8838262826155 . . . . . . . 55 LYS CA . 15953 1
214 . 1 1 55 55 LYS CB C 13 34.844081269384 . . . . . . . 55 LYS CB . 15953 1
215 . 1 1 55 55 LYS N N 15 121.584730969602 0.3 . . . . . . 55 LYS N . 15953 1
216 . 1 1 56 56 CYS H H 1 8.38793560492075 0.05 . . . . . . 56 CYS H . 15953 1
217 . 1 1 56 56 CYS CA C 13 56.1116951847496 . . . . . . . 56 CYS CA . 15953 1
218 . 1 1 56 56 CYS CB C 13 29.4503802642062 . . . . . . . 56 CYS CB . 15953 1
219 . 1 1 56 56 CYS N N 15 122.477383771943 0.3 . . . . . . 56 CYS N . 15953 1
220 . 1 1 57 57 ILE H H 1 9.37261305130154 0.05 . . . . . . 57 ILE H . 15953 1
221 . 1 1 57 57 ILE CA C 13 56.1116951847496 . . . . . . . 57 ILE CA . 15953 1
222 . 1 1 57 57 ILE CB C 13 40.5973623415737 . . . . . . . 57 ILE CB . 15953 1
223 . 1 1 57 57 ILE N N 15 130.607761998664 0.3 . . . . . . 57 ILE N . 15953 1
224 . 1 1 58 58 VAL H H 1 8.58212844528249 0.05 . . . . . . 58 VAL H . 15953 1
225 . 1 1 58 58 VAL CA C 13 60.3324945358356 . . . . . . . 58 VAL CA . 15953 1
226 . 1 1 58 58 VAL CB C 13 34.6642912358781 . . . . . . . 58 VAL CB . 15953 1
227 . 1 1 58 58 VAL N N 15 126.870570412571 0.3 . . . . . . 58 VAL N . 15953 1
228 . 1 1 59 59 GLY H H 1 9.1312705399337 0.05 . . . . . . 59 GLY H . 15953 1
229 . 1 1 59 59 GLY CA C 13 46.2120021612934 . . . . . . . 59 GLY CA . 15953 1
230 . 1 1 59 59 GLY N N 15 113.8162390141 0.3 . . . . . . 59 GLY N . 15953 1
231 . 1 1 60 60 ARG H H 1 8.554589963905 0.05 . . . . . . 60 ARG H . 15953 1
232 . 1 1 60 60 ARG CA C 13 55.4210189272992 . . . . . . . 60 ARG CA . 15953 1
233 . 1 1 60 60 ARG CB C 13 28.5514300966766 . . . . . . . 60 ARG CB . 15953 1
234 . 1 1 60 60 ARG N N 15 122.134222668791 0.3 . . . . . . 60 ARG N . 15953 1
235 . 1 1 61 61 ASN H H 1 7.84539142158943 0.05 . . . . . . 61 ASN H . 15953 1
236 . 1 1 61 61 ASN CA C 13 53.579215574098 . . . . . . . 61 ASN CA . 15953 1
237 . 1 1 61 61 ASN CB C 13 38.9792520400204 . . . . . . . 61 ASN CB . 15953 1
238 . 1 1 61 61 ASN N N 15 116.811828171903 0.3 . . . . . . 61 ASN N . 15953 1
239 . 1 1 62 62 PHE H H 1 8.08867089082463 0.05 . . . . . . 62 PHE H . 15953 1
240 . 1 1 62 62 PHE CA C 13 57.3395640868837 . . . . . . . 62 PHE CA . 15953 1
241 . 1 1 62 62 PHE CB C 13 38.7994620065144 . . . . . . . 62 PHE CB . 15953 1
242 . 1 1 62 62 PHE N N 15 121.10221594131 0.3 . . . . . . 62 PHE N . 15953 1
243 . 1 1 63 63 GLY H H 1 8.42896383185328 0.05 . . . . . . 63 GLY H . 15953 1
244 . 1 1 63 63 GLY CA C 13 46.5957111932103 . . . . . . . 63 GLY CA . 15953 1
245 . 1 1 63 63 GLY N N 15 108.701579714204 0.3 . . . . . . 63 GLY N . 15953 1
246 . 1 1 64 64 SER H H 1 8.25552395393505 0.05 . . . . . . 64 SER H . 15953 1
247 . 1 1 64 64 SER CA C 13 58.7209166017846 . . . . . . . 64 SER CA . 15953 1
248 . 1 1 64 64 SER CB C 13 63.2509065633205 . . . . . . . 64 SER CB . 15953 1
249 . 1 1 64 64 SER N N 15 114.920720291178 0.3 . . . . . . 64 SER N . 15953 1
250 . 1 1 65 65 TYR H H 1 7.81836727809265 0.05 . . . . . . 65 TYR H . 15953 1
251 . 1 1 65 65 TYR CA C 13 58.5674329890178 . . . . . . . 65 TYR CA . 15953 1
252 . 1 1 65 65 TYR CB C 13 39.1590420735263 . . . . . . . 65 TYR CB . 15953 1
253 . 1 1 65 65 TYR N N 15 121.15046744414 0.3 . . . . . . 65 TYR N . 15953 1
254 . 1 1 66 66 VAL H H 1 7.38877760785789 0.05 . . . . . . 66 VAL H . 15953 1
255 . 1 1 66 66 VAL CA C 13 61.9440724698866 . . . . . . . 66 VAL CA . 15953 1
256 . 1 1 66 66 VAL CB C 13 32.3270208003011 . . . . . . . 66 VAL CB . 15953 1
257 . 1 1 66 66 VAL N N 15 120.378443398872 0.3 . . . . . . 66 VAL N . 15953 1
258 . 1 1 67 67 THR H H 1 8.1031514415067 0.05 . . . . . . 67 THR H . 15953 1
259 . 1 1 67 67 THR CA C 13 60.3742660272257 . . . . . . . 67 THR CA . 15953 1
260 . 1 1 67 67 THR CB C 13 69.7233477695339 . . . . . . . 67 THR CB . 15953 1
261 . 1 1 67 67 THR N N 15 116.880209443755 0.3 . . . . . . 67 THR N . 15953 1
262 . 1 1 68 68 HIS H H 1 7.9473105074983 0.05 . . . . . . 68 HIS H . 15953 1
263 . 1 1 68 68 HIS CA C 13 60.7162035677525 . . . . . . . 68 HIS CA . 15953 1
264 . 1 1 68 68 HIS CB C 13 29.0908001971944 . . . . . . . 68 HIS CB . 15953 1
265 . 1 1 68 68 HIS N N 15 115.602454766841 0.3 . . . . . . 68 HIS N . 15953 1
266 . 1 1 69 69 GLU H H 1 8.09135378419943 0.05 . . . . . . 69 GLU H . 15953 1
267 . 1 1 69 69 GLU CA C 13 56.4186624102831 . . . . . . . 69 GLU CA . 15953 1
268 . 1 1 69 69 GLU CB C 13 29.4503802642062 . . . . . . . 69 GLU CB . 15953 1
269 . 1 1 69 69 GLU N N 15 118.507645424559 0.3 . . . . . . 69 GLU N . 15953 1
270 . 1 1 70 70 THR H H 1 7.68530108417218 0.05 . . . . . . 70 THR H . 15953 1
271 . 1 1 70 70 THR CA C 13 63.1719413720207 . . . . . . . 70 THR CA . 15953 1
272 . 1 1 70 70 THR CB C 13 68.6446075684983 . . . . . . . 70 THR CB . 15953 1
273 . 1 1 70 70 THR N N 15 116.978504086039 0.3 . . . . . . 70 THR N . 15953 1
274 . 1 1 71 71 ARG H H 1 8.4603383583311 0.05 . . . . . . 71 ARG H . 15953 1
275 . 1 1 71 71 ARG CA C 13 55.190793508149 . . . . . . . 71 ARG CA . 15953 1
276 . 1 1 71 71 ARG CB C 13 28.0120599961588 . . . . . . . 71 ARG CB . 15953 1
277 . 1 1 71 71 ARG N N 15 124.14206061955 0.3 . . . . . . 71 ARG N . 15953 1
278 . 1 1 72 72 HIS H H 1 8.50596909420448 0.05 . . . . . . 72 HIS H . 15953 1
279 . 1 1 72 72 HIS CA C 13 59.4883346656184 . . . . . . . 72 HIS CA . 15953 1
280 . 1 1 72 72 HIS CB C 13 33.4057610013366 . . . . . . . 72 HIS CB . 15953 1
281 . 1 1 72 72 HIS N N 15 115.736818175813 0.3 . . . . . . 72 HIS N . 15953 1
282 . 1 1 73 73 PHE H H 1 8.08424163088361 0.05 . . . . . . 73 PHE H . 15953 1
283 . 1 1 73 73 PHE CA C 13 56.4186624102831 . . . . . . . 73 PHE CA . 15953 1
284 . 1 1 73 73 PHE CB C 13 44.1931630116923 . . . . . . . 73 PHE CB . 15953 1
285 . 1 1 73 73 PHE N N 15 118.439339081599 0.3 . . . . . . 73 PHE N . 15953 1
286 . 1 1 74 74 ILE H H 1 9.3799789770178 0.05 . . . . . . 74 ILE H . 15953 1
287 . 1 1 74 74 ILE CA C 13 61.4836216315863 . . . . . . . 74 ILE CA . 15953 1
288 . 1 1 74 74 ILE CB C 13 40.5973623415737 . . . . . . . 74 ILE CB . 15953 1
289 . 1 1 74 74 ILE N N 15 119.850717237606 0.3 . . . . . . 74 ILE N . 15953 1
290 . 1 1 75 75 TYR H H 1 8.9526770815215 0.05 . . . . . . 75 TYR H . 15953 1
291 . 1 1 75 75 TYR CA C 13 54.2698918315484 . . . . . . . 75 TYR CA . 15953 1
292 . 1 1 75 75 TYR CB C 13 40.2377822745619 . . . . . . . 75 TYR CB . 15953 1
293 . 1 1 75 75 TYR N N 15 128.195186857204 0.3 . . . . . . 75 TYR N . 15953 1
294 . 1 1 76 76 PHE H H 1 9.64291666403352 0.05 . . . . . . 76 PHE H . 15953 1
295 . 1 1 76 76 PHE CA C 13 54.8838262826155 . . . . . . . 76 PHE CA . 15953 1
296 . 1 1 76 76 PHE CB C 13 42.7548427436448 . . . . . . . 76 PHE CB . 15953 1
297 . 1 1 76 76 PHE N N 15 124.986461919061 0.3 . . . . . . 76 PHE N . 15953 1
298 . 1 1 77 77 TYR H H 1 9.1650584915252 0.05 . . . . . . 77 TYR H . 15953 1
299 . 1 1 77 77 TYR CA C 13 55.4977607336825 . . . . . . . 77 TYR CA . 15953 1
300 . 1 1 77 77 TYR CB C 13 41.6761025426093 . . . . . . . 77 TYR CB . 15953 1
301 . 1 1 77 77 TYR N N 15 118.038245511656 0.3 . . . . . . 77 TYR N . 15953 1
302 . 1 1 78 78 LEU H H 1 8.64858551719802 0.05 . . . . . . 78 LEU H . 15953 1
303 . 1 1 78 78 LEU CA C 13 53.8094409932481 . . . . . . . 78 LEU CA . 15953 1
304 . 1 1 78 78 LEU CB C 13 43.1144228106567 . . . . . . . 78 LEU CB . 15953 1
305 . 1 1 78 78 LEU N N 15 122.380880766284 0.3 . . . . . . 78 LEU N . 15953 1
306 . 1 1 79 79 GLY H H 1 8.93336968061207 0.05 . . . . . . 79 GLY H . 15953 1
307 . 1 1 79 79 GLY CA C 13 47.0561620315106 . . . . . . . 79 GLY CA . 15953 1
308 . 1 1 79 79 GLY N N 15 114.974275082001 0.3 . . . . . . 79 GLY N . 15953 1
309 . 1 1 80 80 GLN H H 1 9.07334833720542 0.05 . . . . . . 80 GLN H . 15953 1
310 . 1 1 80 80 GLN CA C 13 55.9582115719828 . . . . . . . 80 GLN CA . 15953 1
311 . 1 1 80 80 GLN CB C 13 29.0908001971944 . . . . . . . 80 GLN CB . 15953 1
312 . 1 1 80 80 GLN N N 15 124.962336167647 0.3 . . . . . . 80 GLN N . 15953 1
313 . 1 1 81 81 VAL H H 1 7.94869223423128 0.05 . . . . . . 81 VAL H . 15953 1
314 . 1 1 81 81 VAL CA C 13 62.8649741464871 . . . . . . . 81 VAL CA . 15953 1
315 . 1 1 81 81 VAL CB C 13 32.3270208003011 . . . . . . . 81 VAL CB . 15953 1
316 . 1 1 81 81 VAL N N 15 121.005712935652 0.3 . . . . . . 81 VAL N . 15953 1
317 . 1 1 82 82 ALA H H 1 8.22864954741797 0.05 . . . . . . 82 ALA H . 15953 1
318 . 1 1 82 82 ALA CA C 13 50.5862851251461 . . . . . . . 82 ALA CA . 15953 1
319 . 1 1 82 82 ALA CB C 13 20.101298521898 . . . . . . . 82 ALA CB . 15953 1
320 . 1 1 82 82 ALA N N 15 129.594480439251 0.3 . . . . . . 82 ALA N . 15953 1
321 . 1 1 83 83 ILE H H 1 8.93819653083943 0.05 . . . . . . 83 ILE H . 15953 1
322 . 1 1 83 83 ILE CA C 13 61.023170793286 . . . . . . . 83 ILE CA . 15953 1
323 . 1 1 83 83 ILE CB C 13 39.5186221405381 . . . . . . . 83 ILE CB . 15953 1
324 . 1 1 83 83 ILE N N 15 121.777736980919 0.3 . . . . . . 83 ILE N . 15953 1
325 . 1 1 84 84 LEU H H 1 8.74994937197251 0.05 . . . . . . 84 LEU H . 15953 1
326 . 1 1 84 84 LEU CA C 13 53.4257319613312 . . . . . . . 84 LEU CA . 15953 1
327 . 1 1 84 84 LEU CB C 13 44.3729530451982 . . . . . . . 84 LEU CB . 15953 1
328 . 1 1 84 84 LEU N N 15 127.567917320424 0.3 . . . . . . 84 LEU N . 15953 1
329 . 1 1 85 85 LEU H H 1 8.87544747788379 0.05 . . . . . . 85 LEU H . 15953 1
330 . 1 1 85 85 LEU CA C 13 53.4257319613312 . . . . . . . 85 LEU CA . 15953 1
331 . 1 1 85 85 LEU CB C 13 46.5304334472693 . . . . . . . 85 LEU CB . 15953 1
332 . 1 1 85 85 LEU N N 15 130.22174997603 0.3 . . . . . . 85 LEU N . 15953 1
333 . 1 1 86 86 PHE H H 1 9.30021029789119 0.05 . . . . . . 86 PHE H . 15953 1
334 . 1 1 86 86 PHE CA C 13 56.188436991133 . . . . . . . 86 PHE CA . 15953 1
335 . 1 1 86 86 PHE CB C 13 41.8558925761152 . . . . . . . 86 PHE CB . 15953 1
336 . 1 1 86 86 PHE N N 15 121.584730969602 0.3 . . . . . . 86 PHE N . 15953 1
337 . 1 1 87 87 LYS H H 1 8.09832459127934 0.05 . . . . . . 87 LYS H . 15953 1
338 . 1 1 87 87 LYS CA C 13 55.4210189272992 . . . . . . . 87 LYS CA . 15953 1
339 . 1 1 87 87 LYS CB C 13 33.2259709678307 . . . . . . . 87 LYS CB . 15953 1
340 . 1 1 87 87 LYS N N 15 123.345910822868 0.3 . . . . . . 87 LYS N . 15953 1
341 . 1 1 88 88 SER H H 1 8.75517289608716 0.05 . . . . . . 88 SER H . 15953 1
342 . 1 1 88 88 SER CA C 13 58.6441747954012 . . . . . . . 88 SER CA . 15953 1
343 . 1 1 88 88 SER CB C 13 64.1498567308502 . . . . . . . 88 SER CB . 15953 1
344 . 1 1 88 88 SER N N 15 124.37476917673 0.3 . . . . . . 88 SER N . 15953 1
345 . 1 1 89 89 GLY H H 1 7.96166657314667 0.05 . . . . . . 89 GLY H . 15953 1
346 . 1 1 89 89 GLY CA C 13 46.3654857740601 . . . . . . . 89 GLY CA . 15953 1
347 . 1 1 89 89 GLY N N 15 117.552390613654 0.3 . . . . . . 89 GLY N . 15953 1
stop_
save_