###################################
# 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 51476
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'AR NTDcterm 4G'
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' . . . 51476 1
2 '3D HNCO' . . . 51476 1
3 '3D HN(CA)CO' . . . 51476 1
4 '3D HNCA' . . . 51476 1
5 '3D HN(CO)CA' . . . 51476 1
6 '3D CBCA(CO)NH' . . . 51476 1
7 '3D CBCANH' . . . 51476 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
3 $software_3 . . 51476 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 GLU C C 13 177.103 0.000 . 1 . . . . . 441 GLU C . 51476 1
2 . 1 . 1 1 1 GLU CA C 13 56.854 0.000 . 1 . . . . . 441 GLU CA . 51476 1
3 . 1 . 1 1 1 GLU CB C 13 30.281 0.000 . 1 . . . . . 441 GLU CB . 51476 1
4 . 1 . 1 2 2 GLY H H 1 8.768 0.001 . 1 . . . . . 442 GLY H . 51476 1
5 . 1 . 1 2 2 GLY C C 13 173.961 0.000 . 1 . . . . . 442 GLY C . 51476 1
6 . 1 . 1 2 2 GLY CA C 13 45.228 0.000 . 1 . . . . . 442 GLY CA . 51476 1
7 . 1 . 1 2 2 GLY N N 15 110.748 0.013 . 1 . . . . . 442 GLY N . 51476 1
8 . 1 . 1 3 3 GLN H H 1 8.286 0.001 . 1 . . . . . 443 GLN H . 51476 1
9 . 1 . 1 3 3 GLN C C 13 175.725 0.000 . 1 . . . . . 443 GLN C . 51476 1
10 . 1 . 1 3 3 GLN CA C 13 55.849 0.000 . 1 . . . . . 443 GLN CA . 51476 1
11 . 1 . 1 3 3 GLN CB C 13 29.497 0.000 . 1 . . . . . 443 GLN CB . 51476 1
12 . 1 . 1 3 3 GLN N N 15 120.042 0.023 . 1 . . . . . 443 GLN N . 51476 1
13 . 1 . 1 4 4 LEU H H 1 8.385 0.000 . 1 . . . . . 444 LEU H . 51476 1
14 . 1 . 1 4 4 LEU C C 13 176.904 0.000 . 1 . . . . . 444 LEU C . 51476 1
15 . 1 . 1 4 4 LEU CA C 13 55.364 0.000 . 1 . . . . . 444 LEU CA . 51476 1
16 . 1 . 1 4 4 LEU CB C 13 42.455 0.000 . 1 . . . . . 444 LEU CB . 51476 1
17 . 1 . 1 4 4 LEU N N 15 123.878 0.006 . 1 . . . . . 444 LEU N . 51476 1
18 . 1 . 1 5 5 TYR H H 1 8.317 0.000 . 1 . . . . . 445 TYR H . 51476 1
19 . 1 . 1 5 5 TYR C C 13 175.937 0.000 . 1 . . . . . 445 TYR C . 51476 1
20 . 1 . 1 5 5 TYR CA C 13 57.480 0.000 . 1 . . . . . 445 TYR CA . 51476 1
21 . 1 . 1 5 5 TYR CB C 13 39.091 0.000 . 1 . . . . . 445 TYR CB . 51476 1
22 . 1 . 1 5 5 TYR N N 15 120.290 0.000 . 1 . . . . . 445 TYR N . 51476 1
23 . 1 . 1 6 6 GLY H H 1 8.251 0.002 . 1 . . . . . 446 GLY H . 51476 1
24 . 1 . 1 6 6 GLY C C 13 171.767 0.000 . 1 . . . . . 446 GLY C . 51476 1
25 . 1 . 1 6 6 GLY CA C 13 44.573 0.000 . 1 . . . . . 446 GLY CA . 51476 1
26 . 1 . 1 6 6 GLY N N 15 110.097 0.011 . 1 . . . . . 446 GLY N . 51476 1
27 . 1 . 1 7 7 PRO C C 13 177.464 0.000 . 1 . . . . . 447 PRO C . 51476 1
28 . 1 . 1 7 7 PRO CA C 13 63.416 0.000 . 1 . . . . . 447 PRO CA . 51476 1
29 . 1 . 1 7 7 PRO CB C 13 32.095 0.000 . 1 . . . . . 447 PRO CB . 51476 1
30 . 1 . 1 8 8 CYS H H 1 8.706 0.001 . 1 . . . . . 448 CYS H . 51476 1
31 . 1 . 1 8 8 CYS C C 13 175.395 0.000 . 1 . . . . . 448 CYS C . 51476 1
32 . 1 . 1 8 8 CYS CA C 13 58.741 0.006 . 1 . . . . . 448 CYS CA . 51476 1
33 . 1 . 1 8 8 CYS CB C 13 27.996 0.000 . 1 . . . . . 448 CYS CB . 51476 1
34 . 1 . 1 8 8 CYS N N 15 119.492 0.007 . 1 . . . . . 448 CYS N . 51476 1
35 . 1 . 1 9 9 GLY H H 1 8.561 0.001 . 1 . . . . . 449 GLY H . 51476 1
36 . 1 . 1 9 9 GLY C C 13 174.564 0.003 . 1 . . . . . 449 GLY C . 51476 1
37 . 1 . 1 9 9 GLY CA C 13 45.392 0.000 . 1 . . . . . 449 GLY CA . 51476 1
38 . 1 . 1 9 9 GLY N N 15 111.381 0.007 . 1 . . . . . 449 GLY N . 51476 1
39 . 1 . 1 10 10 GLY H H 1 8.472 0.002 . 1 . . . . . 450 GLY H . 51476 1
40 . 1 . 1 10 10 GLY C C 13 174.572 0.000 . 1 . . . . . 450 GLY C . 51476 1
41 . 1 . 1 10 10 GLY CA C 13 45.225 0.000 . 1 . . . . . 450 GLY CA . 51476 1
42 . 1 . 1 10 10 GLY N N 15 109.080 0.014 . 1 . . . . . 450 GLY N . 51476 1
43 . 1 . 1 11 11 GLY H H 1 8.473 0.001 . 1 . . . . . 451 GLY H . 51476 1
44 . 1 . 1 11 11 GLY C C 13 174.745 0.000 . 1 . . . . . 451 GLY C . 51476 1
45 . 1 . 1 11 11 GLY CA C 13 45.201 0.000 . 1 . . . . . 451 GLY CA . 51476 1
46 . 1 . 1 11 11 GLY N N 15 109.107 0.049 . 1 . . . . . 451 GLY N . 51476 1
47 . 1 . 1 12 12 GLY H H 1 8.418 0.007 . 1 . . . . . 452 GLY H . 51476 1
48 . 1 . 1 12 12 GLY C C 13 174.275 0.000 . 1 . . . . . 452 GLY C . 51476 1
49 . 1 . 1 12 12 GLY CA C 13 45.040 0.000 . 1 . . . . . 452 GLY CA . 51476 1
50 . 1 . 1 12 12 GLY N N 15 108.950 0.010 . 1 . . . . . 452 GLY N . 51476 1
51 . 1 . 1 13 13 GLU H H 1 8.556 0.001 . 1 . . . . . 453 GLU H . 51476 1
52 . 1 . 1 13 13 GLU C C 13 176.707 0.000 . 1 . . . . . 453 GLU C . 51476 1
53 . 1 . 1 13 13 GLU CA C 13 56.629 0.000 . 1 . . . . . 453 GLU CA . 51476 1
54 . 1 . 1 13 13 GLU CB C 13 30.114 0.000 . 1 . . . . . 453 GLU CB . 51476 1
55 . 1 . 1 13 13 GLU N N 15 121.036 0.017 . 1 . . . . . 453 GLU N . 51476 1
56 . 1 . 1 14 14 ALA H H 1 8.582 0.000 . 1 . . . . . 454 ALA H . 51476 1
57 . 1 . 1 14 14 ALA C C 13 178.430 0.000 . 1 . . . . . 454 ALA C . 51476 1
58 . 1 . 1 14 14 ALA CA C 13 52.987 0.000 . 1 . . . . . 454 ALA CA . 51476 1
59 . 1 . 1 14 14 ALA CB C 13 18.841 0.000 . 1 . . . . . 454 ALA CB . 51476 1
60 . 1 . 1 14 14 ALA N N 15 125.304 0.013 . 1 . . . . . 454 ALA N . 51476 1
61 . 1 . 1 15 15 GLY H H 1 8.435 0.001 . 1 . . . . . 455 GLY H . 51476 1
62 . 1 . 1 15 15 GLY C C 13 173.776 0.000 . 1 . . . . . 455 GLY C . 51476 1
63 . 1 . 1 15 15 GLY CA C 13 45.133 0.000 . 1 . . . . . 455 GLY CA . 51476 1
64 . 1 . 1 15 15 GLY N N 15 108.336 0.009 . 1 . . . . . 455 GLY N . 51476 1
65 . 1 . 1 16 16 ALA H H 1 8.098 0.000 . 1 . . . . . 456 ALA H . 51476 1
66 . 1 . 1 16 16 ALA C C 13 177.691 0.000 . 1 . . . . . 456 ALA C . 51476 1
67 . 1 . 1 16 16 ALA CA C 13 52.398 0.000 . 1 . . . . . 456 ALA CA . 51476 1
68 . 1 . 1 16 16 ALA CB C 13 19.376 0.000 . 1 . . . . . 456 ALA CB . 51476 1
69 . 1 . 1 16 16 ALA N N 15 123.678 0.018 . 1 . . . . . 456 ALA N . 51476 1
70 . 1 . 1 17 17 VAL H H 1 8.234 0.000 . 1 . . . . . 457 VAL H . 51476 1
71 . 1 . 1 17 17 VAL C C 13 175.604 0.000 . 1 . . . . . 457 VAL C . 51476 1
72 . 1 . 1 17 17 VAL CA C 13 61.889 0.000 . 1 . . . . . 457 VAL CA . 51476 1
73 . 1 . 1 17 17 VAL CB C 13 32.902 0.000 . 1 . . . . . 457 VAL CB . 51476 1
74 . 1 . 1 17 17 VAL N N 15 119.828 0.007 . 1 . . . . . 457 VAL N . 51476 1
75 . 1 . 1 18 18 ALA H H 1 8.485 0.001 . 1 . . . . . 458 ALA H . 51476 1
76 . 1 . 1 18 18 ALA C C 13 175.392 0.000 . 1 . . . . . 458 ALA C . 51476 1
77 . 1 . 1 18 18 ALA CA C 13 50.404 0.000 . 1 . . . . . 458 ALA CA . 51476 1
78 . 1 . 1 18 18 ALA CB C 13 18.133 0.000 . 1 . . . . . 458 ALA CB . 51476 1
79 . 1 . 1 18 18 ALA N N 15 129.593 0.004 . 1 . . . . . 458 ALA N . 51476 1
80 . 1 . 1 19 19 PRO C C 13 177.862 0.000 . 1 . . . . . 459 PRO C . 51476 1
81 . 1 . 1 19 19 PRO CA C 13 63.008 0.000 . 1 . . . . . 459 PRO CA . 51476 1
82 . 1 . 1 19 19 PRO CB C 13 31.831 0.000 . 1 . . . . . 459 PRO CB . 51476 1
83 . 1 . 1 20 20 TYR H H 1 8.323 0.002 . 1 . . . . . 460 TYR H . 51476 1
84 . 1 . 1 20 20 TYR C C 13 176.532 0.000 . 1 . . . . . 460 TYR C . 51476 1
85 . 1 . 1 20 20 TYR CA C 13 58.392 0.000 . 1 . . . . . 460 TYR CA . 51476 1
86 . 1 . 1 20 20 TYR CB C 13 38.400 0.000 . 1 . . . . . 460 TYR CB . 51476 1
87 . 1 . 1 20 20 TYR N N 15 120.322 0.087 . 1 . . . . . 460 TYR N . 51476 1
88 . 1 . 1 21 21 GLY H H 1 8.296 0.001 . 1 . . . . . 461 GLY H . 51476 1
89 . 1 . 1 21 21 GLY C C 13 173.469 0.000 . 1 . . . . . 461 GLY C . 51476 1
90 . 1 . 1 21 21 GLY CA C 13 45.134 0.000 . 1 . . . . . 461 GLY CA . 51476 1
91 . 1 . 1 21 21 GLY N N 15 111.509 0.013 . 1 . . . . . 461 GLY N . 51476 1
92 . 1 . 1 22 22 TYR H H 1 7.981 0.002 . 1 . . . . . 462 TYR H . 51476 1
93 . 1 . 1 22 22 TYR C C 13 175.675 0.000 . 1 . . . . . 462 TYR C . 51476 1
94 . 1 . 1 22 22 TYR CA C 13 58.142 0.000 . 1 . . . . . 462 TYR CA . 51476 1
95 . 1 . 1 22 22 TYR CB C 13 39.149 0.000 . 1 . . . . . 462 TYR CB . 51476 1
96 . 1 . 1 22 22 TYR N N 15 120.346 0.011 . 1 . . . . . 462 TYR N . 51476 1
97 . 1 . 1 23 23 THR H H 1 8.114 0.001 . 1 . . . . . 463 THR H . 51476 1
98 . 1 . 1 23 23 THR C C 13 173.254 0.000 . 1 . . . . . 463 THR C . 51476 1
99 . 1 . 1 23 23 THR CA C 13 61.384 0.000 . 1 . . . . . 463 THR CA . 51476 1
100 . 1 . 1 23 23 THR CB C 13 70.238 0.000 . 1 . . . . . 463 THR CB . 51476 1
101 . 1 . 1 23 23 THR N N 15 118.350 0.011 . 1 . . . . . 463 THR N . 51476 1
102 . 1 . 1 24 24 ARG H H 1 8.423 0.007 . 1 . . . . . 464 ARG H . 51476 1
103 . 1 . 1 24 24 ARG C C 13 173.644 0.000 . 1 . . . . . 464 ARG C . 51476 1
104 . 1 . 1 24 24 ARG CA C 13 54.038 0.000 . 1 . . . . . 464 ARG CA . 51476 1
105 . 1 . 1 24 24 ARG CB C 13 30.165 0.000 . 1 . . . . . 464 ARG CB . 51476 1
106 . 1 . 1 24 24 ARG N N 15 125.541 0.022 . 1 . . . . . 464 ARG N . 51476 1
107 . 1 . 1 26 26 PRO C C 13 176.871 0.000 . 1 . . . . . 466 PRO C . 51476 1
108 . 1 . 1 26 26 PRO CA C 13 63.179 0.000 . 1 . . . . . 466 PRO CA . 51476 1
109 . 1 . 1 26 26 PRO CB C 13 31.968 0.000 . 1 . . . . . 466 PRO CB . 51476 1
110 . 1 . 1 27 27 GLN H H 1 8.621 0.001 . 1 . . . . . 467 GLN H . 51476 1
111 . 1 . 1 27 27 GLN C C 13 176.481 0.000 . 1 . . . . . 467 GLN C . 51476 1
112 . 1 . 1 27 27 GLN CA C 13 55.882 0.000 . 1 . . . . . 467 GLN CA . 51476 1
113 . 1 . 1 27 27 GLN CB C 13 29.805 0.000 . 1 . . . . . 467 GLN CB . 51476 1
114 . 1 . 1 27 27 GLN N N 15 120.575 0.010 . 1 . . . . . 467 GLN N . 51476 1
115 . 1 . 1 28 28 GLY H H 1 8.536 0.001 . 1 . . . . . 468 GLY H . 51476 1
116 . 1 . 1 28 28 GLY C C 13 173.987 0.000 . 1 . . . . . 468 GLY C . 51476 1
117 . 1 . 1 28 28 GLY CA C 13 45.213 0.000 . 1 . . . . . 468 GLY CA . 51476 1
118 . 1 . 1 28 28 GLY N N 15 110.388 0.016 . 1 . . . . . 468 GLY N . 51476 1
119 . 1 . 1 29 29 LEU H H 1 8.278 0.003 . 1 . . . . . 469 LEU H . 51476 1
120 . 1 . 1 29 29 LEU C C 13 177.374 0.000 . 1 . . . . . 469 LEU C . 51476 1
121 . 1 . 1 29 29 LEU CA C 13 55.020 0.000 . 1 . . . . . 469 LEU CA . 51476 1
122 . 1 . 1 29 29 LEU CB C 13 42.500 0.000 . 1 . . . . . 469 LEU CB . 51476 1
123 . 1 . 1 29 29 LEU N N 15 121.891 0.023 . 1 . . . . . 469 LEU N . 51476 1
124 . 1 . 1 30 30 ALA H H 1 8.500 0.001 . 1 . . . . . 470 ALA H . 51476 1
125 . 1 . 1 30 30 ALA C C 13 178.380 0.000 . 1 . . . . . 470 ALA C . 51476 1
126 . 1 . 1 30 30 ALA CA C 13 52.847 0.000 . 1 . . . . . 470 ALA CA . 51476 1
127 . 1 . 1 30 30 ALA CB C 13 18.903 0.000 . 1 . . . . . 470 ALA CB . 51476 1
128 . 1 . 1 30 30 ALA N N 15 124.940 0.017 . 1 . . . . . 470 ALA N . 51476 1
129 . 1 . 1 31 31 GLY H H 1 8.578 0.000 . 1 . . . . . 471 GLY H . 51476 1
130 . 1 . 1 31 31 GLY C C 13 174.291 0.000 . 1 . . . . . 471 GLY C . 51476 1
131 . 1 . 1 31 31 GLY CA C 13 45.365 0.000 . 1 . . . . . 471 GLY CA . 51476 1
132 . 1 . 1 31 31 GLY N N 15 108.982 0.010 . 1 . . . . . 471 GLY N . 51476 1
133 . 1 . 1 32 32 GLN H H 1 8.285 0.001 . 1 . . . . . 472 GLN H . 51476 1
134 . 1 . 1 32 32 GLN C C 13 176.247 0.000 . 1 . . . . . 472 GLN C . 51476 1
135 . 1 . 1 32 32 GLN CA C 13 55.611 0.000 . 1 . . . . . 472 GLN CA . 51476 1
136 . 1 . 1 32 32 GLN CB C 13 29.566 0.000 . 1 . . . . . 472 GLN CB . 51476 1
137 . 1 . 1 32 32 GLN N N 15 119.670 0.018 . 1 . . . . . 472 GLN N . 51476 1
138 . 1 . 1 33 33 GLU H H 1 8.800 0.000 . 1 . . . . . 473 GLU H . 51476 1
139 . 1 . 1 33 33 GLU C C 13 176.816 0.000 . 1 . . . . . 473 GLU C . 51476 1
140 . 1 . 1 33 33 GLU CA C 13 57.215 0.000 . 1 . . . . . 473 GLU CA . 51476 1
141 . 1 . 1 33 33 GLU CB C 13 29.884 0.000 . 1 . . . . . 473 GLU CB . 51476 1
142 . 1 . 1 33 33 GLU N N 15 122.397 0.009 . 1 . . . . . 473 GLU N . 51476 1
143 . 1 . 1 34 34 SER H H 1 8.431 0.000 . 1 . . . . . 474 SER H . 51476 1
144 . 1 . 1 34 34 SER C C 13 174.056 0.000 . 1 . . . . . 474 SER C . 51476 1
145 . 1 . 1 34 34 SER CA C 13 58.484 0.000 . 1 . . . . . 474 SER CA . 51476 1
146 . 1 . 1 34 34 SER CB C 13 63.989 0.000 . 1 . . . . . 474 SER CB . 51476 1
147 . 1 . 1 34 34 SER N N 15 116.204 0.011 . 1 . . . . . 474 SER N . 51476 1
148 . 1 . 1 35 35 ASP H H 1 8.366 0.001 . 1 . . . . . 475 ASP H . 51476 1
149 . 1 . 1 35 35 ASP C C 13 175.928 0.000 . 1 . . . . . 475 ASP C . 51476 1
150 . 1 . 1 35 35 ASP CA C 13 54.317 0.000 . 1 . . . . . 475 ASP CA . 51476 1
151 . 1 . 1 35 35 ASP CB C 13 40.920 0.000 . 1 . . . . . 475 ASP CB . 51476 1
152 . 1 . 1 35 35 ASP N N 15 122.130 0.016 . 1 . . . . . 475 ASP N . 51476 1
153 . 1 . 1 36 36 PHE H H 1 8.239 0.001 . 1 . . . . . 476 PHE H . 51476 1
154 . 1 . 1 36 36 PHE C C 13 175.667 0.000 . 1 . . . . . 476 PHE C . 51476 1
155 . 1 . 1 36 36 PHE CA C 13 57.925 0.000 . 1 . . . . . 476 PHE CA . 51476 1
156 . 1 . 1 36 36 PHE CB C 13 39.561 0.000 . 1 . . . . . 476 PHE CB . 51476 1
157 . 1 . 1 36 36 PHE N N 15 120.776 0.023 . 1 . . . . . 476 PHE N . 51476 1
158 . 1 . 1 37 37 THR H H 1 8.118 0.000 . 1 . . . . . 477 THR H . 51476 1
159 . 1 . 1 37 37 THR C C 13 173.421 0.000 . 1 . . . . . 477 THR C . 51476 1
160 . 1 . 1 37 37 THR CA C 13 61.747 0.000 . 1 . . . . . 477 THR CA . 51476 1
161 . 1 . 1 37 37 THR CB C 13 70.002 0.000 . 1 . . . . . 477 THR CB . 51476 1
162 . 1 . 1 37 37 THR N N 15 117.194 0.005 . 1 . . . . . 477 THR N . 51476 1
163 . 1 . 1 38 38 ALA H H 1 8.371 0.000 . 1 . . . . . 478 ALA H . 51476 1
164 . 1 . 1 38 38 ALA C C 13 175.443 0.000 . 1 . . . . . 478 ALA C . 51476 1
165 . 1 . 1 38 38 ALA CA C 13 50.589 0.000 . 1 . . . . . 478 ALA CA . 51476 1
166 . 1 . 1 38 38 ALA CB C 13 18.166 0.000 . 1 . . . . . 478 ALA CB . 51476 1
167 . 1 . 1 38 38 ALA N N 15 128.556 0.014 . 1 . . . . . 478 ALA N . 51476 1
168 . 1 . 1 39 39 PRO C C 13 176.519 0.000 . 1 . . . . . 479 PRO C . 51476 1
169 . 1 . 1 39 39 PRO CA C 13 63.138 0.000 . 1 . . . . . 479 PRO CA . 51476 1
170 . 1 . 1 39 39 PRO CB C 13 32.111 0.000 . 1 . . . . . 479 PRO CB . 51476 1
171 . 1 . 1 40 40 ASP H H 1 8.475 0.001 . 1 . . . . . 480 ASP H . 51476 1
172 . 1 . 1 40 40 ASP C C 13 176.048 0.000 . 1 . . . . . 480 ASP C . 51476 1
173 . 1 . 1 40 40 ASP CA C 13 54.471 0.000 . 1 . . . . . 480 ASP CA . 51476 1
174 . 1 . 1 40 40 ASP CB C 13 41.022 0.000 . 1 . . . . . 480 ASP CB . 51476 1
175 . 1 . 1 40 40 ASP N N 15 119.981 0.011 . 1 . . . . . 480 ASP N . 51476 1
176 . 1 . 1 41 41 VAL H H 1 7.983 0.001 . 1 . . . . . 481 VAL H . 51476 1
177 . 1 . 1 41 41 VAL C C 13 175.138 0.000 . 1 . . . . . 481 VAL C . 51476 1
178 . 1 . 1 41 41 VAL CA C 13 62.205 0.000 . 1 . . . . . 481 VAL CA . 51476 1
179 . 1 . 1 41 41 VAL CB C 13 33.031 0.000 . 1 . . . . . 481 VAL CB . 51476 1
180 . 1 . 1 41 41 VAL N N 15 119.763 0.016 . 1 . . . . . 481 VAL N . 51476 1
181 . 1 . 1 42 42 TRP H H 1 8.284 0.000 . 1 . . . . . 482 TRP H . 51476 1
182 . 1 . 1 42 42 TRP C C 13 174.936 0.000 . 1 . . . . . 482 TRP C . 51476 1
183 . 1 . 1 42 42 TRP CA C 13 57.400 0.000 . 1 . . . . . 482 TRP CA . 51476 1
184 . 1 . 1 42 42 TRP CB C 13 29.942 0.000 . 1 . . . . . 482 TRP CB . 51476 1
185 . 1 . 1 42 42 TRP N N 15 124.983 0.019 . 1 . . . . . 482 TRP N . 51476 1
186 . 1 . 1 43 43 TYR H H 1 7.833 0.002 . 1 . . . . . 483 TYR H . 51476 1
187 . 1 . 1 43 43 TYR C C 13 173.114 0.000 . 1 . . . . . 483 TYR C . 51476 1
188 . 1 . 1 43 43 TYR CA C 13 55.299 0.000 . 1 . . . . . 483 TYR CA . 51476 1
189 . 1 . 1 43 43 TYR CB C 13 38.699 0.000 . 1 . . . . . 483 TYR CB . 51476 1
190 . 1 . 1 43 43 TYR N N 15 123.626 0.020 . 1 . . . . . 483 TYR N . 51476 1
191 . 1 . 1 44 44 PRO C C 13 177.584 0.000 . 1 . . . . . 484 PRO C . 51476 1
192 . 1 . 1 44 44 PRO CA C 13 63.605 0.032 . 1 . . . . . 484 PRO CA . 51476 1
193 . 1 . 1 44 44 PRO CB C 13 31.706 0.000 . 1 . . . . . 484 PRO CB . 51476 1
194 . 1 . 1 45 45 GLY H H 1 8.313 0.001 . 1 . . . . . 485 GLY H . 51476 1
195 . 1 . 1 45 45 GLY C C 13 174.786 0.000 . 1 . . . . . 485 GLY C . 51476 1
196 . 1 . 1 45 45 GLY CA C 13 45.319 0.000 . 1 . . . . . 485 GLY CA . 51476 1
197 . 1 . 1 45 45 GLY N N 15 109.464 0.011 . 1 . . . . . 485 GLY N . 51476 1
198 . 1 . 1 46 46 GLY H H 1 8.215 0.009 . 1 . . . . . 486 GLY H . 51476 1
199 . 1 . 1 46 46 GLY C C 13 173.901 0.000 . 1 . . . . . 486 GLY C . 51476 1
200 . 1 . 1 46 46 GLY CA C 13 45.209 0.000 . 1 . . . . . 486 GLY CA . 51476 1
201 . 1 . 1 46 46 GLY N N 15 108.628 0.021 . 1 . . . . . 486 GLY N . 51476 1
202 . 1 . 1 47 47 MET H H 1 8.288 0.002 . 1 . . . . . 487 MET H . 51476 1
203 . 1 . 1 47 47 MET C C 13 176.171 0.000 . 1 . . . . . 487 MET C . 51476 1
204 . 1 . 1 47 47 MET CA C 13 55.600 0.000 . 1 . . . . . 487 MET CA . 51476 1
205 . 1 . 1 47 47 MET CB C 13 32.834 0.000 . 1 . . . . . 487 MET CB . 51476 1
206 . 1 . 1 47 47 MET N N 15 119.814 0.020 . 1 . . . . . 487 MET N . 51476 1
207 . 1 . 1 48 48 VAL H H 1 8.263 0.002 . 1 . . . . . 488 VAL H . 51476 1
208 . 1 . 1 48 48 VAL C C 13 175.990 0.000 . 1 . . . . . 488 VAL C . 51476 1
209 . 1 . 1 48 48 VAL CA C 13 62.326 0.000 . 1 . . . . . 488 VAL CA . 51476 1
210 . 1 . 1 48 48 VAL CB C 13 32.785 0.000 . 1 . . . . . 488 VAL CB . 51476 1
211 . 1 . 1 48 48 VAL N N 15 121.599 0.022 . 1 . . . . . 488 VAL N . 51476 1
212 . 1 . 1 49 49 SER H H 1 8.435 0.001 . 1 . . . . . 489 SER H . 51476 1
213 . 1 . 1 49 49 SER C C 13 174.261 0.000 . 1 . . . . . 489 SER C . 51476 1
214 . 1 . 1 49 49 SER CA C 13 58.144 0.000 . 1 . . . . . 489 SER CA . 51476 1
215 . 1 . 1 49 49 SER CB C 13 63.904 0.000 . 1 . . . . . 489 SER CB . 51476 1
216 . 1 . 1 49 49 SER N N 15 119.667 0.014 . 1 . . . . . 489 SER N . 51476 1
217 . 1 . 1 50 50 ARG H H 1 8.492 0.001 . 1 . . . . . 490 ARG H . 51476 1
218 . 1 . 1 50 50 ARG C C 13 175.958 0.000 . 1 . . . . . 490 ARG C . 51476 1
219 . 1 . 1 50 50 ARG CA C 13 56.003 0.000 . 1 . . . . . 490 ARG CA . 51476 1
220 . 1 . 1 50 50 ARG CB C 13 30.826 0.000 . 1 . . . . . 490 ARG CB . 51476 1
221 . 1 . 1 50 50 ARG N N 15 123.605 0.015 . 1 . . . . . 490 ARG N . 51476 1
222 . 1 . 1 51 51 VAL H H 1 8.216 0.001 . 1 . . . . . 491 VAL H . 51476 1
223 . 1 . 1 51 51 VAL C C 13 174.340 0.000 . 1 . . . . . 491 VAL C . 51476 1
224 . 1 . 1 51 51 VAL CA C 13 59.850 0.000 . 1 . . . . . 491 VAL CA . 51476 1
225 . 1 . 1 51 51 VAL CB C 13 32.460 0.000 . 1 . . . . . 491 VAL CB . 51476 1
226 . 1 . 1 51 51 VAL N N 15 122.560 0.017 . 1 . . . . . 491 VAL N . 51476 1
227 . 1 . 1 54 54 PRO C C 13 176.393 0.000 . 1 . . . . . 494 PRO C . 51476 1
228 . 1 . 1 54 54 PRO CA C 13 62.993 0.000 . 1 . . . . . 494 PRO CA . 51476 1
229 . 1 . 1 54 54 PRO CB C 13 31.928 0.000 . 1 . . . . . 494 PRO CB . 51476 1
230 . 1 . 1 55 55 SER H H 1 8.457 0.001 . 1 . . . . . 495 SER H . 51476 1
231 . 1 . 1 55 55 SER C C 13 173.138 0.000 . 1 . . . . . 495 SER C . 51476 1
232 . 1 . 1 55 55 SER CA C 13 56.427 0.000 . 1 . . . . . 495 SER CA . 51476 1
233 . 1 . 1 55 55 SER CB C 13 63.402 0.000 . 1 . . . . . 495 SER CB . 51476 1
234 . 1 . 1 55 55 SER N N 15 117.952 0.011 . 1 . . . . . 495 SER N . 51476 1
235 . 1 . 1 56 56 PRO C C 13 177.167 0.000 . 1 . . . . . 496 PRO C . 51476 1
236 . 1 . 1 56 56 PRO CA C 13 63.570 0.000 . 1 . . . . . 496 PRO CA . 51476 1
237 . 1 . 1 56 56 PRO CB C 13 32.227 0.000 . 1 . . . . . 496 PRO CB . 51476 1
238 . 1 . 1 57 57 THR H H 1 8.288 0.002 . 1 . . . . . 497 THR H . 51476 1
239 . 1 . 1 57 57 THR C C 13 174.386 0.000 . 1 . . . . . 497 THR C . 51476 1
240 . 1 . 1 57 57 THR CA C 13 61.906 0.025 . 1 . . . . . 497 THR CA . 51476 1
241 . 1 . 1 57 57 THR CB C 13 69.676 0.000 . 1 . . . . . 497 THR CB . 51476 1
242 . 1 . 1 57 57 THR N N 15 113.592 0.022 . 1 . . . . . 497 THR N . 51476 1
243 . 1 . 1 58 58 CYS H H 1 8.318 0.003 . 1 . . . . . 498 CYS H . 51476 1
244 . 1 . 1 58 58 CYS C C 13 174.443 0.000 . 1 . . . . . 498 CYS C . 51476 1
245 . 1 . 1 58 58 CYS CA C 13 58.589 0.000 . 1 . . . . . 498 CYS CA . 51476 1
246 . 1 . 1 58 58 CYS CB C 13 28.254 0.000 . 1 . . . . . 498 CYS CB . 51476 1
247 . 1 . 1 58 58 CYS N N 15 122.086 0.019 . 1 . . . . . 498 CYS N . 51476 1
248 . 1 . 1 59 59 VAL H H 1 8.379 0.001 . 1 . . . . . 499 VAL H . 51476 1
249 . 1 . 1 59 59 VAL C C 13 176.139 0.000 . 1 . . . . . 499 VAL C . 51476 1
250 . 1 . 1 59 59 VAL CA C 13 62.537 0.000 . 1 . . . . . 499 VAL CA . 51476 1
251 . 1 . 1 59 59 VAL CB C 13 32.677 0.000 . 1 . . . . . 499 VAL CB . 51476 1
252 . 1 . 1 59 59 VAL N N 15 123.423 0.023 . 1 . . . . . 499 VAL N . 51476 1
253 . 1 . 1 60 60 LYS H H 1 8.568 0.001 . 1 . . . . . 500 LYS H . 51476 1
254 . 1 . 1 60 60 LYS C C 13 176.638 0.000 . 1 . . . . . 500 LYS C . 51476 1
255 . 1 . 1 60 60 LYS CA C 13 56.611 0.000 . 1 . . . . . 500 LYS CA . 51476 1
256 . 1 . 1 60 60 LYS CB C 13 32.905 0.000 . 1 . . . . . 500 LYS CB . 51476 1
257 . 1 . 1 60 60 LYS N N 15 126.031 0.008 . 1 . . . . . 500 LYS N . 51476 1
258 . 1 . 1 61 61 SER H H 1 8.475 0.001 . 1 . . . . . 501 SER H . 51476 1
259 . 1 . 1 61 61 SER C C 13 174.642 0.000 . 1 . . . . . 501 SER C . 51476 1
260 . 1 . 1 61 61 SER CA C 13 58.579 0.000 . 1 . . . . . 501 SER CA . 51476 1
261 . 1 . 1 61 61 SER CB C 13 63.791 0.000 . 1 . . . . . 501 SER CB . 51476 1
262 . 1 . 1 61 61 SER N N 15 117.644 0.022 . 1 . . . . . 501 SER N . 51476 1
263 . 1 . 1 62 62 GLU H H 1 8.614 0.000 . 1 . . . . . 502 GLU H . 51476 1
264 . 1 . 1 62 62 GLU C C 13 176.421 0.000 . 1 . . . . . 502 GLU C . 51476 1
265 . 1 . 1 62 62 GLU CA C 13 56.664 0.000 . 1 . . . . . 502 GLU CA . 51476 1
266 . 1 . 1 62 62 GLU CB C 13 30.139 0.000 . 1 . . . . . 502 GLU CB . 51476 1
267 . 1 . 1 62 62 GLU N N 15 122.970 0.009 . 1 . . . . . 502 GLU N . 51476 1
268 . 1 . 1 63 63 MET H H 1 8.425 0.001 . 1 . . . . . 503 MET H . 51476 1
269 . 1 . 1 63 63 MET C C 13 176.220 0.000 . 1 . . . . . 503 MET C . 51476 1
270 . 1 . 1 63 63 MET CA C 13 55.493 0.000 . 1 . . . . . 503 MET CA . 51476 1
271 . 1 . 1 63 63 MET CB C 13 32.962 0.000 . 1 . . . . . 503 MET CB . 51476 1
272 . 1 . 1 63 63 MET N N 15 120.491 0.016 . 1 . . . . . 503 MET N . 51476 1
273 . 1 . 1 64 64 GLY H H 1 8.002 0.003 . 1 . . . . . 504 GLY H . 51476 1
274 . 1 . 1 64 64 GLY C C 13 171.801 0.000 . 1 . . . . . 504 GLY C . 51476 1
275 . 1 . 1 64 64 GLY CA C 13 44.771 0.000 . 1 . . . . . 504 GLY CA . 51476 1
276 . 1 . 1 64 64 GLY N N 15 109.696 0.011 . 1 . . . . . 504 GLY N . 51476 1
277 . 1 . 1 65 65 PRO C C 13 176.715 0.000 . 1 . . . . . 505 PRO C . 51476 1
278 . 1 . 1 65 65 PRO CA C 13 63.427 0.000 . 1 . . . . . 505 PRO CA . 51476 1
279 . 1 . 1 65 65 PRO CB C 13 31.650 0.000 . 1 . . . . . 505 PRO CB . 51476 1
280 . 1 . 1 66 66 TRP H H 1 8.024 0.003 . 1 . . . . . 506 TRP H . 51476 1
281 . 1 . 1 66 66 TRP C C 13 176.354 0.000 . 1 . . . . . 506 TRP C . 51476 1
282 . 1 . 1 66 66 TRP CA C 13 57.806 0.000 . 1 . . . . . 506 TRP CA . 51476 1
283 . 1 . 1 66 66 TRP CB C 13 28.866 0.000 . 1 . . . . . 506 TRP CB . 51476 1
284 . 1 . 1 66 66 TRP N N 15 120.272 0.032 . 1 . . . . . 506 TRP N . 51476 1
285 . 1 . 1 67 67 MET H H 1 7.846 0.001 . 1 . . . . . 507 MET H . 51476 1
286 . 1 . 1 67 67 MET C C 13 175.723 0.000 . 1 . . . . . 507 MET C . 51476 1
287 . 1 . 1 67 67 MET CA C 13 55.439 0.000 . 1 . . . . . 507 MET CA . 51476 1
288 . 1 . 1 67 67 MET CB C 13 32.952 0.000 . 1 . . . . . 507 MET CB . 51476 1
289 . 1 . 1 67 67 MET N N 15 121.990 0.017 . 1 . . . . . 507 MET N . 51476 1
290 . 1 . 1 68 68 ASP H H 1 8.230 0.002 . 1 . . . . . 508 ASP H . 51476 1
291 . 1 . 1 68 68 ASP C C 13 176.383 0.000 . 1 . . . . . 508 ASP C . 51476 1
292 . 1 . 1 68 68 ASP CA C 13 54.846 0.043 . 1 . . . . . 508 ASP CA . 51476 1
293 . 1 . 1 68 68 ASP CB C 13 41.169 0.000 . 1 . . . . . 508 ASP CB . 51476 1
294 . 1 . 1 68 68 ASP N N 15 121.199 0.007 . 1 . . . . . 508 ASP N . 51476 1
295 . 1 . 1 69 69 SER H H 1 8.157 0.001 . 1 . . . . . 509 SER H . 51476 1
296 . 1 . 1 69 69 SER C C 13 174.187 0.000 . 1 . . . . . 509 SER C . 51476 1
297 . 1 . 1 69 69 SER CA C 13 58.584 0.000 . 1 . . . . . 509 SER CA . 51476 1
298 . 1 . 1 69 69 SER CB C 13 63.673 0.000 . 1 . . . . . 509 SER CB . 51476 1
299 . 1 . 1 69 69 SER N N 15 115.021 0.021 . 1 . . . . . 509 SER N . 51476 1
300 . 1 . 1 70 70 TYR H H 1 8.253 0.013 . 1 . . . . . 510 TYR H . 51476 1
301 . 1 . 1 70 70 TYR C C 13 175.786 0.000 . 1 . . . . . 510 TYR C . 51476 1
302 . 1 . 1 70 70 TYR CA C 13 58.447 0.000 . 1 . . . . . 510 TYR CA . 51476 1
303 . 1 . 1 70 70 TYR CB C 13 38.827 0.000 . 1 . . . . . 510 TYR CB . 51476 1
304 . 1 . 1 70 70 TYR N N 15 122.512 0.067 . 1 . . . . . 510 TYR N . 51476 1
305 . 1 . 1 71 71 SER H H 1 8.281 0.001 . 1 . . . . . 511 SER H . 51476 1
306 . 1 . 1 71 71 SER C C 13 174.158 0.000 . 1 . . . . . 511 SER C . 51476 1
307 . 1 . 1 71 71 SER CA C 13 58.122 0.000 . 1 . . . . . 511 SER CA . 51476 1
308 . 1 . 1 71 71 SER CB C 13 64.095 0.000 . 1 . . . . . 511 SER CB . 51476 1
309 . 1 . 1 71 71 SER N N 15 118.485 0.007 . 1 . . . . . 511 SER N . 51476 1
310 . 1 . 1 72 72 GLY H H 1 7.434 0.003 . 1 . . . . . 512 GLY H . 51476 1
311 . 1 . 1 72 72 GLY C C 13 171.902 0.000 . 1 . . . . . 512 GLY C . 51476 1
312 . 1 . 1 72 72 GLY CA C 13 44.827 0.000 . 1 . . . . . 512 GLY CA . 51476 1
313 . 1 . 1 72 72 GLY N N 15 110.076 0.011 . 1 . . . . . 512 GLY N . 51476 1
314 . 1 . 1 73 73 PRO C C 13 177.114 0.000 . 1 . . . . . 513 PRO C . 51476 1
315 . 1 . 1 73 73 PRO CA C 13 63.515 0.000 . 1 . . . . . 513 PRO CA . 51476 1
316 . 1 . 1 73 73 PRO CB C 13 31.888 0.000 . 1 . . . . . 513 PRO CB . 51476 1
317 . 1 . 1 74 74 TYR H H 1 8.393 0.005 . 1 . . . . . 514 TYR H . 51476 1
318 . 1 . 1 74 74 TYR C C 13 176.458 0.000 . 1 . . . . . 514 TYR C . 51476 1
319 . 1 . 1 74 74 TYR CA C 13 57.859 0.000 . 1 . . . . . 514 TYR CA . 51476 1
320 . 1 . 1 74 74 TYR CB C 13 38.447 0.000 . 1 . . . . . 514 TYR CB . 51476 1
321 . 1 . 1 74 74 TYR N N 15 119.630 0.009 . 1 . . . . . 514 TYR N . 51476 1
322 . 1 . 1 75 75 GLY H H 1 8.134 0.001 . 1 . . . . . 515 GLY H . 51476 1
323 . 1 . 1 75 75 GLY C C 13 173.764 0.000 . 1 . . . . . 515 GLY C . 51476 1
324 . 1 . 1 75 75 GLY CA C 13 45.543 0.000 . 1 . . . . . 515 GLY CA . 51476 1
325 . 1 . 1 75 75 GLY N N 15 109.881 0.006 . 1 . . . . . 515 GLY N . 51476 1
326 . 1 . 1 76 76 ASP H H 1 8.278 0.001 . 1 . . . . . 516 ASP H . 51476 1
327 . 1 . 1 76 76 ASP C C 13 176.608 0.000 . 1 . . . . . 516 ASP C . 51476 1
328 . 1 . 1 76 76 ASP CA C 13 54.329 0.011 . 1 . . . . . 516 ASP CA . 51476 1
329 . 1 . 1 76 76 ASP CB C 13 41.032 0.009 . 1 . . . . . 516 ASP CB . 51476 1
330 . 1 . 1 76 76 ASP N N 15 120.345 0.027 . 1 . . . . . 516 ASP N . 51476 1
331 . 1 . 1 77 77 MET H H 1 8.446 0.001 . 1 . . . . . 517 MET H . 51476 1
332 . 1 . 1 77 77 MET C C 13 176.482 0.000 . 1 . . . . . 517 MET C . 51476 1
333 . 1 . 1 77 77 MET CA C 13 55.818 0.000 . 1 . . . . . 517 MET CA . 51476 1
334 . 1 . 1 77 77 MET CB C 13 32.310 0.000 . 1 . . . . . 517 MET CB . 51476 1
335 . 1 . 1 77 77 MET N N 15 121.450 0.012 . 1 . . . . . 517 MET N . 51476 1
336 . 1 . 1 78 78 ARG H H 1 8.377 0.001 . 1 . . . . . 518 ARG H . 51476 1
337 . 1 . 1 78 78 ARG C C 13 176.490 0.000 . 1 . . . . . 518 ARG C . 51476 1
338 . 1 . 1 78 78 ARG CA C 13 56.589 0.000 . 1 . . . . . 518 ARG CA . 51476 1
339 . 1 . 1 78 78 ARG CB C 13 30.412 0.000 . 1 . . . . . 518 ARG CB . 51476 1
340 . 1 . 1 78 78 ARG N N 15 121.623 0.026 . 1 . . . . . 518 ARG N . 51476 1
341 . 1 . 1 79 79 LEU H H 1 8.295 0.001 . 1 . . . . . 519 LEU H . 51476 1
342 . 1 . 1 79 79 LEU C C 13 177.695 0.000 . 1 . . . . . 519 LEU C . 51476 1
343 . 1 . 1 79 79 LEU CA C 13 55.360 0.000 . 1 . . . . . 519 LEU CA . 51476 1
344 . 1 . 1 79 79 LEU CB C 13 42.296 0.000 . 1 . . . . . 519 LEU CB . 51476 1
345 . 1 . 1 79 79 LEU N N 15 122.607 0.016 . 1 . . . . . 519 LEU N . 51476 1
346 . 1 . 1 80 80 GLU H H 1 8.561 0.001 . 1 . . . . . 520 GLU H . 51476 1
347 . 1 . 1 80 80 GLU C C 13 176.801 0.000 . 1 . . . . . 520 GLU C . 51476 1
348 . 1 . 1 80 80 GLU CA C 13 56.956 0.000 . 1 . . . . . 520 GLU CA . 51476 1
349 . 1 . 1 80 80 GLU CB C 13 30.103 0.000 . 1 . . . . . 520 GLU CB . 51476 1
350 . 1 . 1 80 80 GLU N N 15 121.643 0.015 . 1 . . . . . 520 GLU N . 51476 1
351 . 1 . 1 81 81 THR H H 1 8.151 0.001 . 1 . . . . . 521 THR H . 51476 1
352 . 1 . 1 81 81 THR C C 13 174.485 0.000 . 1 . . . . . 521 THR C . 51476 1
353 . 1 . 1 81 81 THR CA C 13 62.095 0.000 . 1 . . . . . 521 THR CA . 51476 1
354 . 1 . 1 81 81 THR CB C 13 69.922 0.000 . 1 . . . . . 521 THR CB . 51476 1
355 . 1 . 1 81 81 THR N N 15 114.669 0.025 . 1 . . . . . 521 THR N . 51476 1
356 . 1 . 1 82 82 ALA H H 1 8.358 0.001 . 1 . . . . . 522 ALA H . 51476 1
357 . 1 . 1 82 82 ALA C C 13 177.859 0.000 . 1 . . . . . 522 ALA C . 51476 1
358 . 1 . 1 82 82 ALA CA C 13 52.859 0.000 . 1 . . . . . 522 ALA CA . 51476 1
359 . 1 . 1 82 82 ALA CB C 13 19.106 0.000 . 1 . . . . . 522 ALA CB . 51476 1
360 . 1 . 1 82 82 ALA N N 15 126.366 0.014 . 1 . . . . . 522 ALA N . 51476 1
361 . 1 . 1 83 83 ARG H H 1 8.326 0.004 . 1 . . . . . 523 ARG H . 51476 1
362 . 1 . 1 83 83 ARG C C 13 176.122 0.000 . 1 . . . . . 523 ARG C . 51476 1
363 . 1 . 1 83 83 ARG CA C 13 56.242 0.000 . 1 . . . . . 523 ARG CA . 51476 1
364 . 1 . 1 83 83 ARG CB C 13 30.825 0.000 . 1 . . . . . 523 ARG CB . 51476 1
365 . 1 . 1 83 83 ARG N N 15 120.190 0.036 . 1 . . . . . 523 ARG N . 51476 1
366 . 1 . 1 84 84 ASP H H 1 8.324 0.005 . 1 . . . . . 524 ASP H . 51476 1
367 . 1 . 1 84 84 ASP C C 13 175.790 0.000 . 1 . . . . . 524 ASP C . 51476 1
368 . 1 . 1 84 84 ASP CA C 13 54.419 0.025 . 1 . . . . . 524 ASP CA . 51476 1
369 . 1 . 1 84 84 ASP CB C 13 40.947 0.000 . 1 . . . . . 524 ASP CB . 51476 1
370 . 1 . 1 84 84 ASP N N 15 120.312 0.024 . 1 . . . . . 524 ASP N . 51476 1
371 . 1 . 1 85 85 HIS H H 1 8.223 0.003 . 1 . . . . . 525 HIS H . 51476 1
372 . 1 . 1 85 85 HIS C C 13 174.755 0.000 . 1 . . . . . 525 HIS C . 51476 1
373 . 1 . 1 85 85 HIS CA C 13 56.014 0.000 . 1 . . . . . 525 HIS CA . 51476 1
374 . 1 . 1 85 85 HIS CB C 13 30.511 0.000 . 1 . . . . . 525 HIS CB . 51476 1
375 . 1 . 1 85 85 HIS N N 15 119.393 0.016 . 1 . . . . . 525 HIS N . 51476 1
376 . 1 . 1 86 86 VAL H H 1 8.153 0.000 . 1 . . . . . 526 VAL H . 51476 1
377 . 1 . 1 86 86 VAL C C 13 175.841 0.000 . 1 . . . . . 526 VAL C . 51476 1
378 . 1 . 1 86 86 VAL CA C 13 62.291 0.000 . 1 . . . . . 526 VAL CA . 51476 1
379 . 1 . 1 86 86 VAL CB C 13 32.622 0.000 . 1 . . . . . 526 VAL CB . 51476 1
380 . 1 . 1 86 86 VAL N N 15 122.113 0.007 . 1 . . . . . 526 VAL N . 51476 1
381 . 1 . 1 87 87 LEU H H 1 8.461 0.000 . 1 . . . . . 527 LEU H . 51476 1
382 . 1 . 1 87 87 LEU C C 13 175.029 0.000 . 1 . . . . . 527 LEU C . 51476 1
383 . 1 . 1 87 87 LEU CA C 13 52.906 0.000 . 1 . . . . . 527 LEU CA . 51476 1
384 . 1 . 1 87 87 LEU CB C 13 41.577 0.000 . 1 . . . . . 527 LEU CB . 51476 1
385 . 1 . 1 87 87 LEU N N 15 127.861 0.015 . 1 . . . . . 527 LEU N . 51476 1
386 . 1 . 1 88 88 PRO C C 13 177.122 0.000 . 1 . . . . . 528 PRO C . 51476 1
387 . 1 . 1 88 88 PRO CA C 13 63.070 0.000 . 1 . . . . . 528 PRO CA . 51476 1
388 . 1 . 1 88 88 PRO CB C 13 32.050 0.000 . 1 . . . . . 528 PRO CB . 51476 1
389 . 1 . 1 89 89 ILE H H 1 8.323 0.001 . 1 . . . . . 529 ILE H . 51476 1
390 . 1 . 1 89 89 ILE C C 13 175.856 0.000 . 1 . . . . . 529 ILE C . 51476 1
391 . 1 . 1 89 89 ILE CA C 13 61.846 0.000 . 1 . . . . . 529 ILE CA . 51476 1
392 . 1 . 1 89 89 ILE CB C 13 38.780 0.000 . 1 . . . . . 529 ILE CB . 51476 1
393 . 1 . 1 89 89 ILE N N 15 120.707 0.026 . 1 . . . . . 529 ILE N . 51476 1
394 . 1 . 1 90 90 ASP H H 1 8.323 0.001 . 1 . . . . . 530 ASP H . 51476 1
395 . 1 . 1 90 90 ASP C C 13 175.773 0.000 . 1 . . . . . 530 ASP C . 51476 1
396 . 1 . 1 90 90 ASP CA C 13 53.973 0.017 . 1 . . . . . 530 ASP CA . 51476 1
397 . 1 . 1 90 90 ASP CB C 13 40.843 0.000 . 1 . . . . . 530 ASP CB . 51476 1
398 . 1 . 1 90 90 ASP N N 15 122.112 0.010 . 1 . . . . . 530 ASP N . 51476 1
399 . 1 . 1 91 91 TYR H H 1 7.962 0.001 . 1 . . . . . 531 TYR H . 51476 1
400 . 1 . 1 91 91 TYR C C 13 175.137 0.000 . 1 . . . . . 531 TYR C . 51476 1
401 . 1 . 1 91 91 TYR CA C 13 58.770 0.000 . 1 . . . . . 531 TYR CA . 51476 1
402 . 1 . 1 91 91 TYR CB C 13 39.048 0.000 . 1 . . . . . 531 TYR CB . 51476 1
403 . 1 . 1 91 91 TYR N N 15 120.699 0.018 . 1 . . . . . 531 TYR N . 51476 1
404 . 1 . 1 92 92 TYR H H 1 8.000 0.002 . 1 . . . . . 532 TYR H . 51476 1
405 . 1 . 1 92 92 TYR C C 13 174.297 0.000 . 1 . . . . . 532 TYR C . 51476 1
406 . 1 . 1 92 92 TYR CA C 13 57.906 0.000 . 1 . . . . . 532 TYR CA . 51476 1
407 . 1 . 1 92 92 TYR CB C 13 39.058 0.000 . 1 . . . . . 532 TYR CB . 51476 1
408 . 1 . 1 92 92 TYR N N 15 121.356 0.036 . 1 . . . . . 532 TYR N . 51476 1
409 . 1 . 1 93 93 PHE H H 1 7.956 0.001 . 1 . . . . . 533 PHE H . 51476 1
410 . 1 . 1 93 93 PHE C C 13 172.485 0.000 . 1 . . . . . 533 PHE C . 51476 1
411 . 1 . 1 93 93 PHE CA C 13 55.031 0.000 . 1 . . . . . 533 PHE CA . 51476 1
412 . 1 . 1 93 93 PHE CB C 13 39.285 0.000 . 1 . . . . . 533 PHE CB . 51476 1
413 . 1 . 1 93 93 PHE N N 15 124.111 0.016 . 1 . . . . . 533 PHE N . 51476 1
414 . 1 . 1 95 95 PRO C C 13 176.956 0.000 . 1 . . . . . 535 PRO C . 51476 1
415 . 1 . 1 95 95 PRO CA C 13 62.872 0.000 . 1 . . . . . 535 PRO CA . 51476 1
416 . 1 . 1 95 95 PRO CB C 13 32.022 0.000 . 1 . . . . . 535 PRO CB . 51476 1
417 . 1 . 1 96 96 GLN H H 1 8.634 0.000 . 1 . . . . . 536 GLN H . 51476 1
418 . 1 . 1 96 96 GLN C C 13 175.915 0.000 . 1 . . . . . 536 GLN C . 51476 1
419 . 1 . 1 96 96 GLN CA C 13 55.594 0.023 . 1 . . . . . 536 GLN CA . 51476 1
420 . 1 . 1 96 96 GLN CB C 13 29.682 0.019 . 1 . . . . . 536 GLN CB . 51476 1
421 . 1 . 1 96 96 GLN N N 15 121.212 0.012 . 1 . . . . . 536 GLN N . 51476 1
422 . 1 . 1 97 97 LYS H H 1 8.599 0.001 . 1 . . . . . 537 LYS H . 51476 1
423 . 1 . 1 97 97 LYS C C 13 175.952 0.000 . 1 . . . . . 537 LYS C . 51476 1
424 . 1 . 1 97 97 LYS CA C 13 56.481 0.030 . 1 . . . . . 537 LYS CA . 51476 1
425 . 1 . 1 97 97 LYS CB C 13 33.107 0.000 . 1 . . . . . 537 LYS CB . 51476 1
426 . 1 . 1 97 97 LYS N N 15 124.289 0.011 . 1 . . . . . 537 LYS N . 51476 1
427 . 1 . 1 98 98 THR H H 1 8.006 0.000 . 1 . . . . . 538 THR H . 51476 1
428 . 1 . 1 98 98 THR C C 13 179.311 0.000 . 1 . . . . . 538 THR C . 51476 1
429 . 1 . 1 98 98 THR CA C 13 63.361 0.000 . 1 . . . . . 538 THR CA . 51476 1
430 . 1 . 1 98 98 THR CB C 13 70.751 0.000 . 1 . . . . . 538 THR CB . 51476 1
431 . 1 . 1 98 98 THR N N 15 121.678 0.004 . 1 . . . . . 538 THR N . 51476 1
stop_
save_