###################################
# 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 52314
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'Ancy-m chemical shifts'
_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-1H TOCSY' . . . 52314 1
3 '2D 1H-1H NOESY' . . . 52314 1
4 '2D 1H-13C HSQC' . . . 52314 1
5 '1D 1H' . . . 52314 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 . . 52314 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 1 1 GLY H H 1 8.723169306 0.002390012 . 1 . . . . . 1 GLY H . 52314 1
2 . 1 . 1 1 1 GLY HA2 H 1 4.215219497 0.002218512 . 2 . . . . . 1 GLY HA2 . 52314 1
3 . 1 . 1 1 1 GLY HA3 H 1 3.589651958 0.000630668 . 2 . . . . . 1 GLY HA3 . 52314 1
4 . 1 . 1 1 1 GLY CA C 13 42.35901145 0.001327463 . 1 . . . . . 1 GLY CA . 52314 1
5 . 1 . 1 2 2 LEU H H 1 7.836111715 0.001603509 . 1 . . . . . 2 LEU H . 52314 1
6 . 1 . 1 2 2 LEU HA H 1 5.024616767 0 . 1 . . . . . 2 LEU HA . 52314 1
7 . 1 . 1 2 2 LEU HB2 H 1 1.440058082 0 . 2 . . . . . 2 LEU HB2 . 52314 1
8 . 1 . 1 2 2 LEU HB3 H 1 1.930737799 0 . 2 . . . . . 2 LEU HB3 . 52314 1
9 . 1 . 1 2 2 LEU HG H 1 1.69914216 0 . 1 . . . . . 2 LEU HG . 52314 1
10 . 1 . 1 2 2 LEU HD11 H 1 0.905726946 0 . 2 . . . . . 2 LEU HD11 . 52314 1
11 . 1 . 1 2 2 LEU HD12 H 1 0.905726946 0 . 2 . . . . . 2 LEU HD11 . 52314 1
12 . 1 . 1 2 2 LEU HD13 H 1 0.905726946 0 . 2 . . . . . 2 LEU HD11 . 52314 1
13 . 1 . 1 2 2 LEU HD21 H 1 0.983719864 0 . 2 . . . . . 2 LEU HD21 . 52314 1
14 . 1 . 1 2 2 LEU HD22 H 1 0.983719864 0 . 2 . . . . . 2 LEU HD21 . 52314 1
15 . 1 . 1 2 2 LEU HD23 H 1 0.983719864 0 . 2 . . . . . 2 LEU HD21 . 52314 1
16 . 1 . 1 2 2 LEU CA C 13 51.97662219 0 . 1 . . . . . 2 LEU CA . 52314 1
17 . 1 . 1 2 2 LEU CB C 13 41.20240361 0.007999768 . 1 . . . . . 2 LEU CB . 52314 1
18 . 1 . 1 2 2 LEU CG C 13 23.85071485 0 . 1 . . . . . 2 LEU CG . 52314 1
19 . 1 . 1 2 2 LEU CD1 C 13 19.99693813 0 . 2 . . . . . 2 LEU CD1 . 52314 1
20 . 1 . 1 2 2 LEU CD2 C 13 22.71974141 0 . 2 . . . . . 2 LEU CD2 . 52314 1
21 . 1 . 1 3 3 PRO HA H 1 5.063650373 0.001674749 . 1 . . . . . 3 PRO HA . 52314 1
22 . 1 . 1 3 3 PRO HB2 H 1 2.168842415 0.001809251 . 2 . . . . . 3 PRO HB2 . 52314 1
23 . 1 . 1 3 3 PRO HB3 H 1 2.032542049 0.003257231 . 2 . . . . . 3 PRO HB3 . 52314 1
24 . 1 . 1 3 3 PRO HG2 H 1 2.451677131 0.002809155 . 2 . . . . . 3 PRO HG2 . 52314 1
25 . 1 . 1 3 3 PRO HG3 H 1 1.740171349 0.000489551 . 2 . . . . . 3 PRO HG3 . 52314 1
26 . 1 . 1 3 3 PRO HD2 H 1 3.783744245 0.002274214 . 2 . . . . . 3 PRO HD2 . 52314 1
27 . 1 . 1 3 3 PRO CA C 13 59.81603131 0 . 1 . . . . . 3 PRO CA . 52314 1
28 . 1 . 1 3 3 PRO CB C 13 24.64787729 0.004128201 . 1 . . . . . 3 PRO CB . 52314 1
29 . 1 . 1 3 3 PRO CG C 13 25.20750482 0.002320339 . 1 . . . . . 3 PRO CG . 52314 1
30 . 1 . 1 4 4 ILE H H 1 8.133026049 0.002441452 . 1 . . . . . 4 ILE H . 52314 1
31 . 1 . 1 4 4 ILE HA H 1 4.711498554 0.004007997 . 1 . . . . . 4 ILE HA . 52314 1
32 . 1 . 1 4 4 ILE HB H 1 2.283836649 0.000272067 . 1 . . . . . 4 ILE HB . 52314 1
33 . 1 . 1 4 4 ILE HG12 H 1 0.808932705 0.002413986 . 2 . . . . . 4 ILE HG12 . 52314 1
34 . 1 . 1 4 4 ILE CB C 13 35.11203894 0 . 1 . . . . . 4 ILE CB . 52314 1
35 . 1 . 1 4 4 ILE CG1 C 13 18.42313551 0 . 1 . . . . . 4 ILE CG1 . 52314 1
36 . 1 . 1 5 5 CYS H H 1 8.092753009 0.001259111 . 1 . . . . . 5 CYS H . 52314 1
37 . 1 . 1 5 5 CYS HA H 1 4.488015731 0.000182845 . 1 . . . . . 5 CYS HA . 52314 1
38 . 1 . 1 5 5 CYS HB2 H 1 3.345031542 0.00036001 . 2 . . . . . 5 CYS HB2 . 52314 1
39 . 1 . 1 5 5 CYS HB3 H 1 3.001060688 0.005936389 . 2 . . . . . 5 CYS HB3 . 52314 1
40 . 1 . 1 5 5 CYS CA C 13 56.47972679 0 . 1 . . . . . 5 CYS CA . 52314 1
41 . 1 . 1 5 5 CYS CB C 13 46.37311926 0 . 1 . . . . . 5 CYS CB . 52314 1
42 . 1 . 1 6 6 GLY H H 1 8.524048014 0.002261608 . 1 . . . . . 6 GLY H . 52314 1
43 . 1 . 1 6 6 GLY HA2 H 1 3.837993574 0.001805971 . 2 . . . . . 6 GLY HA2 . 52314 1
44 . 1 . 1 6 6 GLY HA3 H 1 3.737190846 0.001320255 . 2 . . . . . 6 GLY HA3 . 52314 1
45 . 1 . 1 6 6 GLY CA C 13 43.75070512 0.004334237 . 1 . . . . . 6 GLY CA . 52314 1
46 . 1 . 1 7 7 GLU H H 1 7.162719343 0.001453995 . 1 . . . . . 7 GLU H . 52314 1
47 . 1 . 1 7 7 GLU HA H 1 4.814772148 0.005472711 . 1 . . . . . 7 GLU HA . 52314 1
48 . 1 . 1 7 7 GLU HB2 H 1 1.971084968 0.003067174 . 2 . . . . . 7 GLU HB2 . 52314 1
49 . 1 . 1 7 7 GLU HB3 H 1 1.85700867 0.005506639 . 2 . . . . . 7 GLU HB3 . 52314 1
50 . 1 . 1 7 7 GLU HG2 H 1 2.507564399 0.005946891 . 2 . . . . . 7 GLU HG2 . 52314 1
51 . 1 . 1 7 7 GLU CB C 13 29.90184125 0.006270387 . 1 . . . . . 7 GLU CB . 52314 1
52 . 1 . 1 7 7 GLU CG C 13 31.22966185 0 . 1 . . . . . 7 GLU CG . 52314 1
53 . 1 . 1 8 8 THR H H 1 8.514477109 0.003030222 . 1 . . . . . 8 THR H . 52314 1
54 . 1 . 1 8 8 THR HA H 1 4.563988758 0.002194795 . 1 . . . . . 8 THR HA . 52314 1
55 . 1 . 1 8 8 THR HB H 1 4.443531109 0.0000942 . 1 . . . . . 8 THR HB . 52314 1
56 . 1 . 1 8 8 THR HG1 H 1 1.154309489 0 . 1 . . . . . 8 THR HG1 . 52314 1
57 . 1 . 1 8 8 THR HG21 H 1 1.152698219 0.00113934 . 1 . . . . . 8 THR HG21 . 52314 1
58 . 1 . 1 8 8 THR HG22 H 1 1.152698219 0.00113934 . 1 . . . . . 8 THR HG21 . 52314 1
59 . 1 . 1 8 8 THR HG23 H 1 1.152698219 0.00113934 . 1 . . . . . 8 THR HG21 . 52314 1
60 . 1 . 1 8 8 THR CA C 13 57.54157196 0 . 1 . . . . . 8 THR CA . 52314 1
61 . 1 . 1 8 8 THR CB C 13 68.06276655 0 . 1 . . . . . 8 THR CB . 52314 1
62 . 1 . 1 8 8 THR CG2 C 13 22.89383519 0 . 1 . . . . . 8 THR CG2 . 52314 1
63 . 1 . 1 9 9 CYS H H 1 8.37128731 0.001297552 . 1 . . . . . 9 CYS H . 52314 1
64 . 1 . 1 9 9 CYS HA H 1 5.054320684 0.001801764 . 1 . . . . . 9 CYS HA . 52314 1
65 . 1 . 1 9 9 CYS HB2 H 1 3.241127776 0.000362565 . 2 . . . . . 9 CYS HB2 . 52314 1
66 . 1 . 1 9 9 CYS HB3 H 1 2.982167453 0.000428487 . 2 . . . . . 9 CYS HB3 . 52314 1
67 . 1 . 1 9 9 CYS CA C 13 56.84025051 0 . 1 . . . . . 9 CYS CA . 52314 1
68 . 1 . 1 9 9 CYS CB C 13 44.49544263 0.003701698 . 1 . . . . . 9 CYS CB . 52314 1
69 . 1 . 1 10 10 THR H H 1 8.323648609 0.001701895 . 1 . . . . . 10 THR H . 52314 1
70 . 1 . 1 10 10 THR HA H 1 4.011943107 0.001107254 . 1 . . . . . 10 THR HA . 52314 1
71 . 1 . 1 10 10 THR HB H 1 4.134519481 0.00230194 . 1 . . . . . 10 THR HB . 52314 1
72 . 1 . 1 10 10 THR HG21 H 1 1.244027875 0.000214197 . 1 . . . . . 10 THR HG21 . 52314 1
73 . 1 . 1 10 10 THR HG22 H 1 1.244027875 0.000214197 . 1 . . . . . 10 THR HG21 . 52314 1
74 . 1 . 1 10 10 THR HG23 H 1 1.244027875 0.000214197 . 1 . . . . . 10 THR HG21 . 52314 1
75 . 1 . 1 10 10 THR CA C 13 62.48103675 0 . 1 . . . . . 10 THR CA . 52314 1
76 . 1 . 1 10 10 THR CB C 13 66.12858277 0 . 1 . . . . . 10 THR CB . 52314 1
77 . 1 . 1 10 10 THR CG2 C 13 19.64161281 0 . 1 . . . . . 10 THR CG2 . 52314 1
78 . 1 . 1 11 11 LEU H H 1 8.532170663 0.002046169 . 1 . . . . . 11 LEU H . 52314 1
79 . 1 . 1 11 11 LEU HA H 1 4.532465674 0.001948392 . 1 . . . . . 11 LEU HA . 52314 1
80 . 1 . 1 11 11 LEU HB2 H 1 1.750461698 0.000453821 . 2 . . . . . 11 LEU HB2 . 52314 1
81 . 1 . 1 11 11 LEU HG H 1 1.61943033 0 . 1 . . . . . 11 LEU HG . 52314 1
82 . 1 . 1 11 11 LEU HD11 H 1 0.917494254 0.003580585 . 2 . . . . . 11 LEU HD11 . 52314 1
83 . 1 . 1 11 11 LEU HD12 H 1 0.917494254 0.003580585 . 2 . . . . . 11 LEU HD11 . 52314 1
84 . 1 . 1 11 11 LEU HD13 H 1 0.917494254 0.003580585 . 2 . . . . . 11 LEU HD11 . 52314 1
85 . 1 . 1 11 11 LEU CA C 13 52.28528765 0 . 1 . . . . . 11 LEU CA . 52314 1
86 . 1 . 1 11 11 LEU CB C 13 38.65428305 0 . 1 . . . . . 11 LEU CB . 52314 1
87 . 1 . 1 11 11 LEU CG C 13 24.34262113 0 . 1 . . . . . 11 LEU CG . 52314 1
88 . 1 . 1 11 11 LEU CD1 C 13 22.56604889 0 . 2 . . . . . 11 LEU CD1 . 52314 1
89 . 1 . 1 12 12 GLY H H 1 8.164160871 0.001922764 . 1 . . . . . 12 GLY H . 52314 1
90 . 1 . 1 12 12 GLY HA2 H 1 4.34977744 0.001636789 . 2 . . . . . 12 GLY HA2 . 52314 1
91 . 1 . 1 12 12 GLY HA3 H 1 4.021501024 0.001200505 . 2 . . . . . 12 GLY HA3 . 52314 1
92 . 1 . 1 12 12 GLY CA C 13 43.15198777 0.012736834 . 1 . . . . . 12 GLY CA . 52314 1
93 . 1 . 1 13 13 THR H H 1 7.755545081 0.001159369 . 1 . . . . . 13 THR H . 52314 1
94 . 1 . 1 13 13 THR HA H 1 4.653816515 0.00689854 . 1 . . . . . 13 THR HA . 52314 1
95 . 1 . 1 13 13 THR HB H 1 4.117655363 0.00075631 . 1 . . . . . 13 THR HB . 52314 1
96 . 1 . 1 13 13 THR HG1 H 1 1.140222943 0 . 1 . . . . . 13 THR HG1 . 52314 1
97 . 1 . 1 13 13 THR HG21 H 1 1.142853543 0.001860115 . 1 . . . . . 13 THR HG21 . 52314 1
98 . 1 . 1 13 13 THR HG22 H 1 1.142853543 0.001860115 . 1 . . . . . 13 THR HG21 . 52314 1
99 . 1 . 1 13 13 THR HG23 H 1 1.142853543 0.001860115 . 1 . . . . . 13 THR HG21 . 52314 1
100 . 1 . 1 13 13 THR CA C 13 57.83774637 0 . 1 . . . . . 13 THR CA . 52314 1
101 . 1 . 1 13 13 THR CB C 13 68.73229847 0 . 1 . . . . . 13 THR CB . 52314 1
102 . 1 . 1 13 13 THR CG2 C 13 18.98790784 0 . 1 . . . . . 13 THR CG2 . 52314 1
103 . 1 . 1 14 14 CYS H H 1 8.652472148 0.00269431 . 1 . . . . . 14 CYS H . 52314 1
104 . 1 . 1 14 14 CYS HA H 1 4.664365093 0.007252393 . 1 . . . . . 14 CYS HA . 52314 1
105 . 1 . 1 14 14 CYS HB2 H 1 3.017039559 0.005075823 . 2 . . . . . 14 CYS HB2 . 52314 1
106 . 1 . 1 14 14 CYS HB3 H 1 2.742566026 0.009086109 . 2 . . . . . 14 CYS HB3 . 52314 1
107 . 1 . 1 14 14 CYS CB C 13 41.86372861 0.000727744 . 1 . . . . . 14 CYS CB . 52314 1
108 . 1 . 1 15 15 ASN H H 1 9.758937252 0.002483071 . 1 . . . . . 15 ASN H . 52314 1
109 . 1 . 1 15 15 ASN HA H 1 4.691624688 0.001787254 . 1 . . . . . 15 ASN HA . 52314 1
110 . 1 . 1 15 15 ASN HB2 H 1 2.790543213 0.003413813 . 2 . . . . . 15 ASN HB2 . 52314 1
111 . 1 . 1 15 15 ASN CB C 13 37.03607528 0 . 1 . . . . . 15 ASN CB . 52314 1
112 . 1 . 1 16 16 THR H H 1 8.593998475 0.001717575 . 1 . . . . . 16 THR H . 52314 1
113 . 1 . 1 16 16 THR HA H 1 4.461707312 0 . 1 . . . . . 16 THR HA . 52314 1
114 . 1 . 1 16 16 THR HB H 1 4.218885306 0 . 1 . . . . . 16 THR HB . 52314 1
115 . 1 . 1 16 16 THR HG21 H 1 1.321829309 0 . 1 . . . . . 16 THR HG21 . 52314 1
116 . 1 . 1 16 16 THR HG22 H 1 1.321829309 0 . 1 . . . . . 16 THR HG21 . 52314 1
117 . 1 . 1 16 16 THR HG23 H 1 1.321829309 0 . 1 . . . . . 16 THR HG21 . 52314 1
118 . 1 . 1 16 16 THR CA C 13 58.89265582 0 . 1 . . . . . 16 THR CA . 52314 1
119 . 1 . 1 16 16 THR CB C 13 66.98504776 0 . 1 . . . . . 16 THR CB . 52314 1
120 . 1 . 1 16 16 THR CG2 C 13 19.23955237 0 . 1 . . . . . 16 THR CG2 . 52314 1
121 . 1 . 1 17 17 PRO HA H 1 4.254442658 0.000395021 . 1 . . . . . 17 PRO HA . 52314 1
122 . 1 . 1 17 17 PRO HB2 H 1 2.133585603 0.000899035 . 2 . . . . . 17 PRO HB2 . 52314 1
123 . 1 . 1 17 17 PRO HB3 H 1 2.001007439 0.00144909 . 2 . . . . . 17 PRO HB3 . 52314 1
124 . 1 . 1 17 17 PRO HG2 H 1 2.313411652 0.00285847 . 2 . . . . . 17 PRO HG2 . 52314 1
125 . 1 . 1 17 17 PRO HG3 H 1 1.901059367 0.001432556 . 2 . . . . . 17 PRO HG3 . 52314 1
126 . 1 . 1 17 17 PRO HD2 H 1 4.149425534 0.000378274 . 2 . . . . . 17 PRO HD2 . 52314 1
127 . 1 . 1 17 17 PRO HD3 H 1 3.695689243 0.002949939 . 2 . . . . . 17 PRO HD3 . 52314 1
128 . 1 . 1 17 17 PRO CA C 13 61.57446724 0 . 1 . . . . . 17 PRO CA . 52314 1
129 . 1 . 1 17 17 PRO CB C 13 24.95712548 0 . 1 . . . . . 17 PRO CB . 52314 1
130 . 1 . 1 17 17 PRO CG C 13 29.13239231 0.004604335 . 1 . . . . . 17 PRO CG . 52314 1
131 . 1 . 1 17 17 PRO CD C 13 48.94642806 0.00782668 . 1 . . . . . 17 PRO CD . 52314 1
132 . 1 . 1 18 18 GLY H H 1 8.767439631 0.000321189 . 1 . . . . . 18 GLY H . 52314 1
133 . 1 . 1 18 18 GLY HA2 H 1 4.167299259 0.002307586 . 2 . . . . . 18 GLY HA2 . 52314 1
134 . 1 . 1 18 18 GLY HA3 H 1 3.684499507 0.000144774 . 2 . . . . . 18 GLY HA3 . 52314 1
135 . 1 . 1 18 18 GLY CA C 13 42.58487489 0.005413159 . 1 . . . . . 18 GLY CA . 52314 1
136 . 1 . 1 19 19 CYS H H 1 7.692315224 0.000737412 . 1 . . . . . 19 CYS H . 52314 1
137 . 1 . 1 19 19 CYS HA H 1 5.365695362 0.001814299 . 1 . . . . . 19 CYS HA . 52314 1
138 . 1 . 1 19 19 CYS HB2 H 1 3.818367192 0.001772602 . 2 . . . . . 19 CYS HB2 . 52314 1
139 . 1 . 1 19 19 CYS HB3 H 1 2.606106292 0.000706469 . 2 . . . . . 19 CYS HB3 . 52314 1
140 . 1 . 1 19 19 CYS CA C 13 55.23941981 0 . 1 . . . . . 19 CYS CA . 52314 1
141 . 1 . 1 19 19 CYS CB C 13 47.42272116 0.008522186 . 1 . . . . . 19 CYS CB . 52314 1
142 . 1 . 1 20 20 THR H H 1 9.49913938 0.001694002 . 1 . . . . . 20 THR H . 52314 1
143 . 1 . 1 20 20 THR HA H 1 4.531636001 0.000796162 . 1 . . . . . 20 THR HA . 52314 1
144 . 1 . 1 20 20 THR HB H 1 4.031773216 0.000452952 . 1 . . . . . 20 THR HB . 52314 1
145 . 1 . 1 20 20 THR HG21 H 1 1.113664859 0.000235806 . 1 . . . . . 20 THR HG21 . 52314 1
146 . 1 . 1 20 20 THR HG22 H 1 1.113664859 0.000235806 . 1 . . . . . 20 THR HG21 . 52314 1
147 . 1 . 1 20 20 THR HG23 H 1 1.113664859 0.000235806 . 1 . . . . . 20 THR HG21 . 52314 1
148 . 1 . 1 20 20 THR CA C 13 57.55215995 0 . 1 . . . . . 20 THR CA . 52314 1
149 . 1 . 1 20 20 THR CB C 13 68.73455295 0 . 1 . . . . . 20 THR CB . 52314 1
150 . 1 . 1 20 20 THR CG2 C 13 18.38969592 0 . 1 . . . . . 20 THR CG2 . 52314 1
151 . 1 . 1 21 21 CYS H H 1 8.929427659 0.000495353 . 1 . . . . . 21 CYS H . 52314 1
152 . 1 . 1 21 21 CYS HA H 1 4.600811993 0.000924842 . 1 . . . . . 21 CYS HA . 52314 1
153 . 1 . 1 21 21 CYS HB2 H 1 3.116758463 0.0000954 . 2 . . . . . 21 CYS HB2 . 52314 1
154 . 1 . 1 21 21 CYS HB3 H 1 2.867739044 0.00267145 . 2 . . . . . 21 CYS HB3 . 52314 1
155 . 1 . 1 21 21 CYS CA C 13 53.69383727 0 . 1 . . . . . 21 CYS CA . 52314 1
156 . 1 . 1 21 21 CYS CB C 13 37.1633486 0.000241593 . 1 . . . . . 21 CYS CB . 52314 1
157 . 1 . 1 22 22 SER H H 1 9.004045165 0.001672215 . 1 . . . . . 22 SER H . 52314 1
158 . 1 . 1 22 22 SER HA H 1 4.815538768 0.00111056 . 1 . . . . . 22 SER HA . 52314 1
159 . 1 . 1 22 22 SER HB2 H 1 3.845836185 0.005923739 . 2 . . . . . 22 SER HB2 . 52314 1
160 . 1 . 1 22 22 SER CB C 13 58.65955394 0 . 1 . . . . . 22 SER CB . 52314 1
161 . 1 . 1 23 23 TRP H H 1 8.050382664 0.002755423 . 1 . . . . . 23 TRP H . 52314 1
162 . 1 . 1 23 23 TRP HA H 1 4.049039603 0.005340411 . 1 . . . . . 23 TRP HA . 52314 1
163 . 1 . 1 23 23 TRP HB2 H 1 3.260671245 0.001578203 . 2 . . . . . 23 TRP HB2 . 52314 1
164 . 1 . 1 23 23 TRP HD1 H 1 7.310214078 0.001483126 . 1 . . . . . 23 TRP HD1 . 52314 1
165 . 1 . 1 23 23 TRP HE1 H 1 10.26230954 0.000102632 . 1 . . . . . 23 TRP HE1 . 52314 1
166 . 1 . 1 23 23 TRP HE3 H 1 7.433523678 0.003428641 . 1 . . . . . 23 TRP HE3 . 52314 1
167 . 1 . 1 23 23 TRP HZ2 H 1 7.552549877 0.000704376 . 1 . . . . . 23 TRP HZ2 . 52314 1
168 . 1 . 1 23 23 TRP HZ3 H 1 7.136753546 0.0000163 . 1 . . . . . 23 TRP HZ3 . 52314 1
169 . 1 . 1 23 23 TRP HH2 H 1 7.247038675 0.000480109 . 1 . . . . . 23 TRP HH2 . 52314 1
170 . 1 . 1 23 23 TRP CA C 13 56.44469353 0 . 1 . . . . . 23 TRP CA . 52314 1
171 . 1 . 1 23 23 TRP CB C 13 27.07380784 0 . 1 . . . . . 23 TRP CB . 52314 1
172 . 1 . 1 24 24 PRO HA H 1 3.435211446 0.002151381 . 1 . . . . . 24 PRO HA . 52314 1
173 . 1 . 1 24 24 PRO HB2 H 1 1.403257652 0.001573565 . 2 . . . . . 24 PRO HB2 . 52314 1
174 . 1 . 1 24 24 PRO HB3 H 1 1.317896944 0.0000194 . 2 . . . . . 24 PRO HB3 . 52314 1
175 . 1 . 1 24 24 PRO HG2 H 1 1.752214817 0.001202299 . 2 . . . . . 24 PRO HG2 . 52314 1
176 . 1 . 1 24 24 PRO HG3 H 1 -0.167647738 0.000685799 . 2 . . . . . 24 PRO HG3 . 52314 1
177 . 1 . 1 24 24 PRO HD2 H 1 3.246646947 0.002216958 . 2 . . . . . 24 PRO HD2 . 52314 1
178 . 1 . 1 24 24 PRO HD3 H 1 3.163101904 0.004773149 . 2 . . . . . 24 PRO HD3 . 52314 1
179 . 1 . 1 24 24 PRO CA C 13 62.33220339 0 . 1 . . . . . 24 PRO CA . 52314 1
180 . 1 . 1 24 24 PRO CB C 13 21.31936674 0.007268528 . 1 . . . . . 24 PRO CB . 52314 1
181 . 1 . 1 24 24 PRO CG C 13 29.52610811 0.004701582 . 1 . . . . . 24 PRO CG . 52314 1
182 . 1 . 1 25 25 VAL H H 1 8.251017733 0.001095409 . 1 . . . . . 25 VAL H . 52314 1
183 . 1 . 1 25 25 VAL HA H 1 4.209624185 0.001006637 . 1 . . . . . 25 VAL HA . 52314 1
184 . 1 . 1 25 25 VAL HB H 1 1.937213881 0.002296946 . 1 . . . . . 25 VAL HB . 52314 1
185 . 1 . 1 25 25 VAL HG11 H 1 0.834996782 0.003180214 . 2 . . . . . 25 VAL HG11 . 52314 1
186 . 1 . 1 25 25 VAL HG12 H 1 0.834996782 0.003180214 . 2 . . . . . 25 VAL HG11 . 52314 1
187 . 1 . 1 25 25 VAL HG13 H 1 0.834996782 0.003180214 . 2 . . . . . 25 VAL HG11 . 52314 1
188 . 1 . 1 25 25 VAL CA C 13 59.36764295 0 . 1 . . . . . 25 VAL CA . 52314 1
189 . 1 . 1 25 25 VAL CB C 13 32.51742843 0 . 1 . . . . . 25 VAL CB . 52314 1
190 . 1 . 1 25 25 VAL CG1 C 13 18.51597091 0 . 2 . . . . . 25 VAL CG1 . 52314 1
191 . 1 . 1 26 26 CYS H H 1 7.759106101 0.001271235 . 1 . . . . . 26 CYS H . 52314 1
192 . 1 . 1 26 26 CYS HA H 1 5.101997495 0.004354055 . 1 . . . . . 26 CYS HA . 52314 1
193 . 1 . 1 26 26 CYS HB2 H 1 3.203718045 0.000896421 . 2 . . . . . 26 CYS HB2 . 52314 1
194 . 1 . 1 26 26 CYS HB3 H 1 2.728105439 0.00228464 . 2 . . . . . 26 CYS HB3 . 52314 1
195 . 1 . 1 26 26 CYS CA C 13 54.03147542 0 . 1 . . . . . 26 CYS CA . 52314 1
196 . 1 . 1 26 26 CYS CB C 13 40.95193553 0.040470836 . 1 . . . . . 26 CYS CB . 52314 1
197 . 1 . 1 27 27 THR H H 1 9.855445758 0.00410924 . 1 . . . . . 27 THR H . 52314 1
198 . 1 . 1 27 27 THR HA H 1 5.083197547 0.00704912 . 1 . . . . . 27 THR HA . 52314 1
199 . 1 . 1 27 27 THR HB H 1 3.700985173 0.001964005 . 1 . . . . . 27 THR HB . 52314 1
200 . 1 . 1 27 27 THR HG21 H 1 0.876996148 0.002609486 . 1 . . . . . 27 THR HG21 . 52314 1
201 . 1 . 1 27 27 THR HG22 H 1 0.876996148 0.002609486 . 1 . . . . . 27 THR HG21 . 52314 1
202 . 1 . 1 27 27 THR HG23 H 1 0.876996148 0.002609486 . 1 . . . . . 27 THR HG21 . 52314 1
203 . 1 . 1 27 27 THR CB C 13 69.82601162 0 . 1 . . . . . 27 THR CB . 52314 1
204 . 1 . 1 27 27 THR CG2 C 13 18.60456052 0 . 1 . . . . . 27 THR CG2 . 52314 1
205 . 1 . 1 28 28 ARG H H 1 8.748580203 0.001118609 . 1 . . . . . 28 ARG H . 52314 1
206 . 1 . 1 28 28 ARG HA H 1 4.715382971 0.001427575 . 1 . . . . . 28 ARG HA . 52314 1
207 . 1 . 1 28 28 ARG HB2 H 1 1.721184008 0.000949349 . 2 . . . . . 28 ARG HB2 . 52314 1
208 . 1 . 1 28 28 ARG HB3 H 1 1.640116141 0.005472589 . 2 . . . . . 28 ARG HB3 . 52314 1
209 . 1 . 1 28 28 ARG HG2 H 1 1.458781817 0.000882126 . 2 . . . . . 28 ARG HG2 . 52314 1
210 . 1 . 1 28 28 ARG HD2 H 1 3.175932394 0 . 2 . . . . . 28 ARG HD2 . 52314 1
211 . 1 . 1 28 28 ARG CB C 13 30.07168367 0.005370497 . 1 . . . . . 28 ARG CB . 52314 1
212 . 1 . 1 28 28 ARG CG C 13 24.65079761 0 . 1 . . . . . 28 ARG CG . 52314 1
213 . 1 . 1 28 28 ARG CD C 13 41.10503603 0 . 1 . . . . . 28 ARG CD . 52314 1
214 . 1 . 1 29 29 ASN H H 1 9.449692226 0.00132053 . 1 . . . . . 29 ASN H . 52314 1
215 . 1 . 1 29 29 ASN HA H 1 4.381062757 0.002247779 . 1 . . . . . 29 ASN HA . 52314 1
216 . 1 . 1 29 29 ASN HB2 H 1 3.085982652 0 . 2 . . . . . 29 ASN HB2 . 52314 1
217 . 1 . 1 29 29 ASN HB3 H 1 2.896098739 0.001415996 . 2 . . . . . 29 ASN HB3 . 52314 1
218 . 1 . 1 29 29 ASN CA C 13 51.86295308 0 . 1 . . . . . 29 ASN CA . 52314 1
219 . 1 . 1 29 29 ASN CB C 13 34.87509852 0 . 1 . . . . . 29 ASN CB . 52314 1
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