###################################
# 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 34088
_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 $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
;
Shift list only containing H, N and CA shifts. This list is based on an hCANH
experiment recorded in the same measurement session on the same magnet as the
hNhhNH and hNHH experiments that were shift-matched to produce distance
restraints. This was necessary because the heating by MAS results in small
unwanted shift differences.
;
_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 '3D (H)N(HH)NH RFDR 2ms' . . . 34088 1
2 '3D (H)NHH RFDR 2ms' . . . 34088 1
3 '2D 13C-13C DARR 200ms' . . . 34088 1
4 '2D 13C-13C DARR 400ms' . . . 34088 1
5 '2D 13C-13C DARR 200ms' . . . 34088 1
6 '2D 13C-13C DARR 400ms' . . . 34088 1
7 '2D 13C-13C DARR 400ms' . . . 34088 1
8 '2D 13C-13C DARR 150ms' . . . 34088 1
9 '2D 13C-13C DARR 150ms' . . . 34088 1
10 '2D 13C-13C DARR 400ms' . . . 34088 1
11 '2D 13C-13C DARR 150ms' . . . 34088 1
12 '2D 13C-13C DARR 400ms' . . . 34088 1
13 '2D 13C-13C DARR 500ms' . . . 34088 1
14 '3D (H)CANH' . . . 34088 1
15 '3D (H)CANH' . . . 34088 1
16 '3D (HCO)CA(CO)NH' . . . 34088 1
17 '3D (HCA)CB(CA)NH' . . . 34088 1
18 '3D (HCA)CBCA(CO)NH' . . . 34088 1
19 '3D (H)CONH' . . . 34088 1
20 '3D (H)CO(CA)NH' . . . 34088 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.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 8 8 HIS H H 1 8.785 0.001 . 1 . . 1220 . A 8 HIS H . 34088 1
2 . 1 1 8 8 HIS CA C 13 55.183 . . 1 . . 168 . A 8 HIS CA . 34088 1
3 . 1 1 8 8 HIS N N 15 118.411 0.072 . 1 . . 1219 . A 8 HIS N . 34088 1
4 . 1 1 9 9 PHE H H 1 9.367 0.032 . 1 . . 860 . A 9 PHE H . 34088 1
5 . 1 1 9 9 PHE CA C 13 57.278 . . 1 . . 1204 . A 9 PHE CA . 34088 1
6 . 1 1 9 9 PHE N N 15 123.635 0.059 . 1 . . 1227 . A 9 PHE N . 34088 1
7 . 1 1 10 10 ASN H H 1 8.748 0.018 . 1 . . 1008 . A 10 ASN H . 34088 1
8 . 1 1 10 10 ASN N N 15 116.809 0.076 . 1 . . 1007 . A 10 ASN N . 34088 1
9 . 1 1 11 11 ILE H H 1 9.400 0.0 . 1 . . 1193 . A 11 ILE H . 34088 1
10 . 1 1 11 11 ILE N N 15 116.554 . . 1 . . 1192 . A 11 ILE N . 34088 1
11 . 1 1 12 12 GLY H H 1 7.836 0.009 . 1 . . 882 . A 12 GLY H . 34088 1
12 . 1 1 12 12 GLY CA C 13 47.107 . . 1 . . 725 . A 12 GLY CA . 34088 1
13 . 1 1 12 12 GLY N N 15 110.915 0.102 . 1 . . 604 . A 12 GLY N . 34088 1
14 . 1 1 13 13 ALA H H 1 8.535 0.013 . 1 . . 724 . A 13 ALA H . 34088 1
15 . 1 1 13 13 ALA CA C 13 51.178 . . 1 . . 261 . A 13 ALA CA . 34088 1
16 . 1 1 13 13 ALA N N 15 116.622 0.055 . 1 . . 262 . A 13 ALA N . 34088 1
17 . 1 1 14 14 MET H H 1 9.415 0.017 . 1 . . 1145 . A 14 MET H . 34088 1
18 . 1 1 14 14 MET CA C 13 55.292 . . 1 . . 1144 . A 14 MET CA . 34088 1
19 . 1 1 14 14 MET N N 15 119.948 0.132 . 1 . . 1168 . A 14 MET N . 34088 1
20 . 1 1 15 15 TYR H H 1 9.286 0.016 . 1 . . 859 . A 15 TYR H . 34088 1
21 . 1 1 15 15 TYR CA C 13 59.575 . . 1 . . 331 . A 15 TYR CA . 34088 1
22 . 1 1 15 15 TYR N N 15 122.119 0.043 . 1 . . 330 . A 15 TYR N . 34088 1
23 . 1 1 16 16 GLU H H 1 7.505 0.01 . 1 . . 1172 . A 16 GLU H . 34088 1
24 . 1 1 16 16 GLU CA C 13 54.287 . . 1 . . 1171 . A 16 GLU CA . 34088 1
25 . 1 1 16 16 GLU N N 15 125.840 0.077 . 1 . . 1170 . A 16 GLU N . 34088 1
26 . 1 1 32 32 GLU H H 1 8.762 0.001 . 1 . . 1122 . A 32 GLU H . 34088 1
27 . 1 1 32 32 GLU CA C 13 52.576 . . 1 . . 1123 . A 32 GLU CA . 34088 1
28 . 1 1 32 32 GLU N N 15 121.429 0.063 . 1 . . 707 . A 32 GLU N . 34088 1
29 . 1 1 34 34 SER H H 1 9.455 0.019 . 1 . . 771 . A 34 SER H . 34088 1
30 . 1 1 34 34 SER CA C 13 59.048 . . 1 . . 417 . A 34 SER CA . 34088 1
31 . 1 1 34 34 SER N N 15 110.404 0.069 . 1 . . 418 . A 34 SER N . 34088 1
32 . 1 1 35 35 VAL H H 1 9.076 0.0 . 1 . . 879 . A 35 VAL H . 34088 1
33 . 1 1 35 35 VAL CA C 13 59.328 . . 1 . . 628 . A 35 VAL CA . 34088 1
34 . 1 1 35 35 VAL N N 15 111.428 . . 1 . . 627 . A 35 VAL N . 34088 1
35 . 1 1 37 37 PHE H H 1 9.249 0.006 . 1 . . 949 . A 37 PHE H . 34088 1
36 . 1 1 37 37 PHE CA C 13 56.448 . . 1 . . 307 . A 37 PHE CA . 34088 1
37 . 1 1 37 37 PHE N N 15 118.485 0.048 . 1 . . 308 . A 37 PHE N . 34088 1
38 . 1 1 38 38 ASN H H 1 9.365 0.017 . 1 . . 951 . A 38 ASN H . 34088 1
39 . 1 1 38 38 ASN HD21 H 1 5.754 0.015 . 1 . . 922 . A 38 ASN HD21 . 34088 1
40 . 1 1 38 38 ASN CA C 13 53.327 . . 1 . . 862 . A 38 ASN CA . 34088 1
41 . 1 1 38 38 ASN N N 15 121.841 0.069 . 1 . . 1267 . A 38 ASN N . 34088 1
42 . 1 1 38 38 ASN ND2 N 15 109.610 0.03 . 1 . . 921 . A 38 ASN ND2 . 34088 1
43 . 1 1 39 39 ALA H H 1 9.179 0.012 . 1 . . 730 . A 39 ALA H . 34088 1
44 . 1 1 39 39 ALA CA C 13 51.230 . . 1 . . 257 . A 39 ALA CA . 34088 1
45 . 1 1 39 39 ALA N N 15 120.056 0.045 . 1 . . 259 . A 39 ALA N . 34088 1
46 . 1 1 40 40 ALA H H 1 8.973 0.009 . 1 . . 747 . A 40 ALA H . 34088 1
47 . 1 1 40 40 ALA CA C 13 51.260 . . 1 . . 266 . A 40 ALA CA . 34088 1
48 . 1 1 40 40 ALA N N 15 123.103 0.086 . 1 . . 267 . A 40 ALA N . 34088 1
49 . 1 1 41 41 ASN H H 1 8.070 0.004 . 1 . . 728 . A 41 ASN H . 34088 1
50 . 1 1 41 41 ASN CA C 13 53.637 . . 1 . . 727 . A 41 ASN CA . 34088 1
51 . 1 1 41 41 ASN N N 15 118.185 0.043 . 1 . . 726 . A 41 ASN N . 34088 1
52 . 1 1 42 42 GLY H H 1 8.984 0.013 . 1 . . 935 . A 42 GLY H . 34088 1
53 . 1 1 42 42 GLY CA C 13 45.464 . . 1 . . 385 . A 42 GLY CA . 34088 1
54 . 1 1 42 42 GLY N N 15 117.072 0.031 . 1 . . 386 . A 42 GLY N . 34088 1
55 . 1 1 44 44 TRP H H 1 8.148 0.004 . 1 . . 762 . A 44 TRP H . 34088 1
56 . 1 1 44 44 TRP CA C 13 57.886 . . 1 . . 149 . A 44 TRP CA . 34088 1
57 . 1 1 44 44 TRP N N 15 122.736 0.024 . 1 . . 761 . A 44 TRP N . 34088 1
58 . 1 1 45 45 ARG H H 1 9.189 0.005 . 1 . . 816 . A 45 ARG H . 34088 1
59 . 1 1 45 45 ARG CA C 13 56.763 . . 1 . . 815 . A 45 ARG CA . 34088 1
60 . 1 1 45 45 ARG N N 15 121.523 0.037 . 1 . . 1254 . A 45 ARG N . 34088 1
61 . 1 1 46 46 ILE H H 1 9.784 0.003 . 1 . . 712 . A 46 ILE H . 34088 1
62 . 1 1 46 46 ILE CA C 13 60.949 . . 1 . . 193 . A 46 ILE CA . 34088 1
63 . 1 1 46 46 ILE N N 15 126.571 0.036 . 1 . . 498 . A 46 ILE N . 34088 1
64 . 1 1 47 47 ALA H H 1 9.618 0.01 . 1 . . 714 . A 47 ALA H . 34088 1
65 . 1 1 47 47 ALA CA C 13 51.927 . . 1 . . 278 . A 47 ALA CA . 34088 1
66 . 1 1 47 47 ALA N N 15 128.832 0.036 . 1 . . 279 . A 47 ALA N . 34088 1
67 . 1 1 48 48 LEU H H 1 9.686 0.009 . 1 . . 734 . A 48 LEU H . 34088 1
68 . 1 1 48 48 LEU CA C 13 54.443 . . 1 . . 126 . A 48 LEU CA . 34088 1
69 . 1 1 48 48 LEU N N 15 122.968 0.016 . 1 . . 504 . A 48 LEU N . 34088 1
70 . 1 1 49 49 ALA H H 1 9.167 0.007 . 1 . . 952 . A 49 ALA H . 34088 1
71 . 1 1 49 49 ALA CA C 13 52.498 . . 1 . . 809 . A 49 ALA CA . 34088 1
72 . 1 1 49 49 ALA N N 15 122.243 0.01 . 1 . . 285 . A 49 ALA N . 34088 1
73 . 1 1 50 50 TYR H H 1 9.140 0.003 . 1 . . 953 . A 50 TYR H . 34088 1
74 . 1 1 50 50 TYR CA C 13 60.149 . . 1 . . 320 . A 50 TYR CA . 34088 1
75 . 1 1 50 50 TYR N N 15 118.448 0.012 . 1 . . 321 . A 50 TYR N . 34088 1
76 . 1 1 51 51 TYR H H 1 6.182 0.031 . 1 . . 669 . A 51 TYR H . 34088 1
77 . 1 1 51 51 TYR CA C 13 55.499 . . 1 . . 292 . A 51 TYR CA . 34088 1
78 . 1 1 51 51 TYR N N 15 128.468 0.069 . 1 . . 293 . A 51 TYR N . 34088 1
79 . 1 1 52 52 GLN H H 1 7.422 0.005 . 1 . . 801 . A 52 GLN H . 34088 1
80 . 1 1 52 52 GLN CA C 13 54.665 . . 1 . . 1387 . A 52 GLN CA . 34088 1
81 . 1 1 52 52 GLN N N 15 126.831 0.053 . 1 . . 800 . A 52 GLN N . 34088 1
82 . 1 1 68 68 ASP H H 1 9.026 0.039 . 1 . . 1089 . A 68 ASP H . 34088 1
83 . 1 1 68 68 ASP CA C 13 52.392 . . 1 . . 1175 . A 68 ASP CA . 34088 1
84 . 1 1 68 68 ASP N N 15 118.457 0.044 . 1 . . 1088 . A 68 ASP N . 34088 1
85 . 1 1 69 69 ARG H H 1 8.309 0.002 . 1 . . 1115 . A 69 ARG H . 34088 1
86 . 1 1 69 69 ARG CA C 13 53.970 . . 1 . . 427 . A 69 ARG CA . 34088 1
87 . 1 1 69 69 ARG N N 15 118.544 0.028 . 1 . . 1255 . A 69 ARG N . 34088 1
88 . 1 1 71 71 GLU H H 1 9.012 0.001 . 1 . . 905 . A 71 GLU H . 34088 1
89 . 1 1 71 71 GLU CA C 13 55.469 . . 1 . . 907 . A 71 GLU CA . 34088 1
90 . 1 1 71 71 GLU N N 15 119.760 0.029 . 1 . . 906 . A 71 GLU N . 34088 1
91 . 1 1 72 72 LEU H H 1 8.971 0.003 . 1 . . 983 . A 72 LEU H . 34088 1
92 . 1 1 72 72 LEU CA C 13 54.511 . . 1 . . 982 . A 72 LEU CA . 34088 1
93 . 1 1 72 72 LEU N N 15 125.005 0.029 . 1 . . 981 . A 72 LEU N . 34088 1
94 . 1 1 73 73 GLU H H 1 9.771 0.003 . 1 . . 973 . A 73 GLU H . 34088 1
95 . 1 1 73 73 GLU CA C 13 56.003 . . 1 . . 543 . A 73 GLU CA . 34088 1
96 . 1 1 73 73 GLU N N 15 121.981 0.012 . 1 . . 544 . A 73 GLU N . 34088 1
97 . 1 1 74 74 VAL H H 1 9.382 0.004 . 1 . . 954 . A 74 VAL H . 34088 1
98 . 1 1 74 74 VAL CA C 13 61.002 . . 1 . . 689 . A 74 VAL CA . 34088 1
99 . 1 1 74 74 VAL N N 15 119.871 0.039 . 1 . . 934 . A 74 VAL N . 34088 1
100 . 1 1 75 75 HIS H H 1 9.803 0.005 . 1 . . 721 . A 75 HIS H . 34088 1
101 . 1 1 75 75 HIS CA C 13 54.773 . . 1 . . 172 . A 75 HIS CA . 34088 1
102 . 1 1 75 75 HIS N N 15 124.917 0.052 . 1 . . 352 . A 75 HIS N . 34088 1
103 . 1 1 76 76 TYR H H 1 8.319 0.006 . 1 . . 927 . A 76 TYR H . 34088 1
104 . 1 1 76 76 TYR CA C 13 56.774 . . 1 . . 358 . A 76 TYR CA . 34088 1
105 . 1 1 76 76 TYR N N 15 124.918 0.028 . 1 . . 359 . A 76 TYR N . 34088 1
106 . 1 1 77 77 GLN H H 1 7.881 0.023 . 1 . . 786 . A 77 GLN H . 34088 1
107 . 1 1 77 77 GLN CA C 13 54.124 . . 1 . . 785 . A 77 GLN CA . 34088 1
108 . 1 1 77 77 GLN N N 15 129.124 0.035 . 1 . . 784 . A 77 GLN N . 34088 1
109 . 1 1 78 78 PHE H H 1 8.259 0.013 . 1 . . 1128 . A 78 PHE H . 34088 1
110 . 1 1 78 78 PHE CA C 13 62.461 . . 1 . . 1126 . A 78 PHE CA . 34088 1
111 . 1 1 78 78 PHE N N 15 125.717 0.028 . 1 . . 1127 . A 78 PHE N . 34088 1
112 . 1 1 86 86 PHE H H 1 8.662 0.013 . 1 . . 1112 . A 86 PHE H . 34088 1
113 . 1 1 86 86 PHE CA C 13 58.958 . . 1 . . 346 . A 86 PHE CA . 34088 1
114 . 1 1 86 86 PHE N N 15 121.553 0.025 . 1 . . 347 . A 86 PHE N . 34088 1
115 . 1 1 87 87 GLY H H 1 8.847 0.015 . 1 . . 1114 . A 87 GLY H . 34088 1
116 . 1 1 87 87 GLY CA C 13 45.492 . . 1 . . 388 . A 87 GLY CA . 34088 1
117 . 1 1 87 87 GLY N N 15 118.235 0.052 . 1 . . 1113 . A 87 GLY N . 34088 1
118 . 1 1 88 88 LEU H H 1 7.926 0.01 . 1 . . 717 . A 88 LEU H . 34088 1
119 . 1 1 88 88 LEU CA C 13 54.735 . . 1 . . 87 . A 88 LEU CA . 34088 1
120 . 1 1 88 88 LEU N N 15 116.960 0.056 . 1 . . 522 . A 88 LEU N . 34088 1
121 . 1 1 89 89 THR H H 1 8.562 0.004 . 1 . . 733 . A 89 THR H . 34088 1
122 . 1 1 89 89 THR CA C 13 62.344 . . 1 . . 20 . A 89 THR CA . 34088 1
123 . 1 1 89 89 THR N N 15 122.116 0.045 . 1 . . 465 . A 89 THR N . 34088 1
124 . 1 1 90 90 GLY H H 1 9.596 0.004 . 1 . . 735 . A 90 GLY H . 34088 1
125 . 1 1 90 90 GLY CA C 13 44.761 . . 1 . . 529 . A 90 GLY CA . 34088 1
126 . 1 1 90 90 GLY N N 15 113.532 0.023 . 1 . . 530 . A 90 GLY N . 34088 1
127 . 1 1 91 91 GLY H H 1 9.429 0.013 . 1 . . 668 . A 91 GLY H . 34088 1
128 . 1 1 91 91 GLY CA C 13 46.542 . . 1 . . 368 . A 91 GLY CA . 34088 1
129 . 1 1 91 91 GLY N N 15 109.088 0.022 . 1 . . 369 . A 91 GLY N . 34088 1
130 . 1 1 92 92 PHE H H 1 9.258 0.006 . 1 . . 720 . A 92 PHE H . 34088 1
131 . 1 1 92 92 PHE CA C 13 57.429 . . 1 . . 575 . A 92 PHE CA . 34088 1
132 . 1 1 92 92 PHE N N 15 120.542 0.028 . 1 . . 576 . A 92 PHE N . 34088 1
133 . 1 1 93 93 ARG H H 1 7.661 0.004 . 1 . . 902 . A 93 ARG H . 34088 1
134 . 1 1 93 93 ARG CA C 13 54.349 . . 1 . . 435 . A 93 ARG CA . 34088 1
135 . 1 1 93 93 ARG N N 15 123.905 0.036 . 1 . . 903 . A 93 ARG N . 34088 1
136 . 1 1 94 94 ASN H H 1 7.660 0.006 . 1 . . 828 . A 94 ASN H . 34088 1
137 . 1 1 94 94 ASN CA C 13 53.580 . . 1 . . 827 . A 94 ASN CA . 34088 1
138 . 1 1 94 94 ASN N N 15 117.001 0.021 . 1 . . 826 . A 94 ASN N . 34088 1
139 . 1 1 95 95 TYR H H 1 9.569 0.018 . 1 . . 858 . A 95 TYR H . 34088 1
140 . 1 1 95 95 TYR CA C 13 56.868 . . 1 . . 857 . A 95 TYR CA . 34088 1
141 . 1 1 95 95 TYR N N 15 122.908 0.016 . 1 . . 310 . A 95 TYR N . 34088 1
142 . 1 1 96 96 GLY H H 1 9.312 0.009 . 1 . . 1117 . A 96 GLY H . 34088 1
143 . 1 1 96 96 GLY CA C 13 46.131 . . 1 . . 582 . A 96 GLY CA . 34088 1
144 . 1 1 96 96 GLY N N 15 112.831 0.036 . 1 . . 1116 . A 96 GLY N . 34088 1
145 . 1 1 97 97 TYR H H 1 8.565 0.007 . 1 . . 763 . A 97 TYR H . 34088 1
146 . 1 1 97 97 TYR CA C 13 59.793 . . 1 . . 327 . A 97 TYR CA . 34088 1
147 . 1 1 97 97 TYR N N 15 122.803 0.044 . 1 . . 1121 . A 97 TYR N . 34088 1
148 . 1 1 108 108 ALA H H 1 8.139 0.018 . 1 . . 731 . A 108 ALA H . 34088 1
149 . 1 1 108 108 ALA CA C 13 52.589 . . 1 . . 282 . A 108 ALA CA . 34088 1
150 . 1 1 108 108 ALA N N 15 120.344 0.254 . 1 . . 283 . A 108 ALA N . 34088 1
151 . 1 1 109 109 ASN H H 1 10.080 0.019 . 1 . . 842 . A 109 ASN H . 34088 1
152 . 1 1 109 109 ASN CA C 13 54.694 . . 1 . . 841 . A 109 ASN CA . 34088 1
153 . 1 1 109 109 ASN N N 15 121.281 0.034 . 1 . . 840 . A 109 ASN N . 34088 1
154 . 1 1 110 110 MET H H 1 8.611 0.004 . 1 . . 803 . A 110 MET H . 34088 1
155 . 1 1 110 110 MET CA C 13 53.688 . . 1 . . 802 . A 110 MET CA . 34088 1
156 . 1 1 110 110 MET N N 15 126.201 0.053 . 1 . . 547 . A 110 MET N . 34088 1
157 . 1 1 111 111 GLN H H 1 9.727 0.019 . 1 . . 797 . A 111 GLN H . 34088 1
158 . 1 1 111 111 GLN CA C 13 56.868 . . 1 . . 796 . A 111 GLN CA . 34088 1
159 . 1 1 111 111 GLN N N 15 124.594 0.023 . 1 . . 795 . A 111 GLN N . 34088 1
160 . 1 1 112 112 ARG H H 1 8.528 0.024 . 1 . . 1087 . A 112 ARG H . 34088 1
161 . 1 1 112 112 ARG CA C 13 54.691 . . 1 . . 1134 . A 112 ARG CA . 34088 1
162 . 1 1 112 112 ARG N N 15 118.221 0.072 . 1 . . 1086 . A 112 ARG N . 34088 1
163 . 1 1 113 113 TRP H H 1 9.700 0.007 . 1 . . 758 . A 113 TRP H . 34088 1
164 . 1 1 113 113 TRP CA C 13 56.284 . . 1 . . 143 . A 113 TRP CA . 34088 1
165 . 1 1 113 113 TRP N N 15 132.768 0.028 . 1 . . 759 . A 113 TRP N . 34088 1
166 . 1 1 114 114 LYS H H 1 9.163 0.009 . 1 . . 1055 . A 114 LYS H . 34088 1
167 . 1 1 114 114 LYS CA C 13 55.445 . . 1 . . 1142 . A 114 LYS CA . 34088 1
168 . 1 1 114 114 LYS N N 15 124.354 0.025 . 1 . . 1053 . A 114 LYS N . 34088 1
169 . 1 1 115 115 ILE H H 1 8.674 0.011 . 1 . . 1052 . A 115 ILE H . 34088 1
170 . 1 1 115 115 ILE CA C 13 60.135 . . 1 . . 1051 . A 115 ILE CA . 34088 1
171 . 1 1 115 115 ILE N N 15 123.468 0.058 . 1 . . 632 . A 115 ILE N . 34088 1
172 . 1 1 116 116 ALA H H 1 9.067 0.022 . 1 . . 729 . A 116 ALA H . 34088 1
173 . 1 1 116 116 ALA CA C 13 50.581 . . 1 . . 255 . A 116 ALA CA . 34088 1
174 . 1 1 116 116 ALA N N 15 125.502 0.028 . 1 . . 264 . A 116 ALA N . 34088 1
175 . 1 1 118 118 ASP H H 1 8.692 0.028 . 1 . . 774 . A 118 ASP H . 34088 1
176 . 1 1 118 118 ASP CA C 13 54.145 . . 1 . . 663 . A 118 ASP CA . 34088 1
177 . 1 1 118 118 ASP N N 15 116.430 0.061 . 1 . . 699 . A 118 ASP N . 34088 1
178 . 1 1 119 119 TRP H H 1 8.257 0.003 . 1 . . 928 . A 119 TRP H . 34088 1
179 . 1 1 119 119 TRP CA C 13 57.705 . . 1 . . 151 . A 119 TRP CA . 34088 1
180 . 1 1 119 119 TRP N N 15 115.196 0.038 . 1 . . 929 . A 119 TRP N . 34088 1
181 . 1 1 120 120 ASP H H 1 8.363 0.046 . 1 . . 1038 . A 120 ASP H . 34088 1
182 . 1 1 120 120 ASP CA C 13 55.704 . . 1 . . 1203 . A 120 ASP CA . 34088 1
183 . 1 1 120 120 ASP N N 15 119.625 0.293 . 1 . . 1036 . A 120 ASP N . 34088 1
184 . 1 1 121 121 VAL H H 1 9.780 0.0 . 1 . . 997 . A 121 VAL H . 34088 1
185 . 1 1 121 121 VAL CA C 13 60.949 . . 1 . . 1206 . A 121 VAL CA . 34088 1
186 . 1 1 121 121 VAL N N 15 126.548 0.016 . 1 . . 996 . A 121 VAL N . 34088 1
187 . 1 1 122 122 LYS H H 1 8.670 0.009 . 1 . . 783 . A 122 LYS H . 34088 1
188 . 1 1 122 122 LYS CA C 13 58.733 . . 1 . . 782 . A 122 LYS CA . 34088 1
189 . 1 1 122 122 LYS N N 15 128.194 0.065 . 1 . . 781 . A 122 LYS N . 34088 1
190 . 1 1 124 124 THR H H 1 8.734 0.015 . 1 . . 710 . A 124 THR H . 34088 1
191 . 1 1 124 124 THR CA C 13 60.090 . . 1 . . 40 . A 124 THR CA . 34088 1
192 . 1 1 124 124 THR N N 15 109.274 0.028 . 1 . . 460 . A 124 THR N . 34088 1
193 . 1 1 127 127 LEU H H 1 7.686 0.014 . 1 . . 810 . A 127 LEU H . 34088 1
194 . 1 1 127 127 LEU CA C 13 54.563 . . 1 . . 124 . A 127 LEU CA . 34088 1
195 . 1 1 127 127 LEU N N 15 122.647 0.056 . 1 . . 706 . A 127 LEU N . 34088 1
196 . 1 1 128 128 ARG H H 1 9.229 0.005 . 1 . . 1147 . A 128 ARG H . 34088 1
197 . 1 1 128 128 ARG CA C 13 54.915 . . 1 . . 932 . A 128 ARG CA . 34088 1
198 . 1 1 128 128 ARG N N 15 123.923 0.024 . 1 . . 1146 . A 128 ARG N . 34088 1
199 . 1 1 129 129 PHE H H 1 9.314 0.003 . 1 . . 955 . A 129 PHE H . 34088 1
200 . 1 1 129 129 PHE CA C 13 54.831 . . 1 . . 930 . A 129 PHE CA . 34088 1
201 . 1 1 129 129 PHE N N 15 121.755 0.012 . 1 . . 289 . A 129 PHE N . 34088 1
202 . 1 1 130 130 ASN H H 1 8.996 0.016 . 1 . . 956 . A 130 ASN H . 34088 1
203 . 1 1 130 130 ASN CA C 13 51.260 . . 1 . . 878 . A 130 ASN CA . 34088 1
204 . 1 1 130 130 ASN N N 15 123.179 0.06 . 1 . . 875 . A 130 ASN N . 34088 1
205 . 1 1 131 131 GLY H H 1 7.082 0.004 . 1 . . 836 . A 131 GLY H . 34088 1
206 . 1 1 131 131 GLY CA C 13 45.695 . . 1 . . 835 . A 131 GLY CA . 34088 1
207 . 1 1 131 131 GLY N N 15 104.193 0.026 . 1 . . 834 . A 131 GLY N . 34088 1
208 . 1 1 132 132 TRP H H 1 6.833 0.018 . 1 . . 746 . A 132 TRP H . 34088 1
209 . 1 1 132 132 TRP HE1 H 1 10.014 0.004 . 1 . . 1185 . A 132 TRP HE1 . 34088 1
210 . 1 1 132 132 TRP CA C 13 55.197 . . 1 . . 137 . A 132 TRP CA . 34088 1
211 . 1 1 132 132 TRP N N 15 112.990 0.134 . 1 . . 745 . A 132 TRP N . 34088 1
212 . 1 1 132 132 TRP NE1 N 15 129.707 0.042 . 1 . . 1186 . A 132 TRP NE1 . 34088 1
213 . 1 1 133 133 LEU H H 1 8.739 0.005 . 1 . . 916 . A 133 LEU H . 34088 1
214 . 1 1 133 133 LEU CA C 13 56.032 . . 1 . . 917 . A 133 LEU CA . 34088 1
215 . 1 1 133 133 LEU N N 15 124.205 0.071 . 1 . . 536 . A 133 LEU N . 34088 1
216 . 1 1 134 134 SER H H 1 10.315 0.015 . 1 . . 670 . A 134 SER H . 34088 1
217 . 1 1 134 134 SER CA C 13 57.165 . . 1 . . 414 . A 134 SER CA . 34088 1
218 . 1 1 134 134 SER N N 15 119.427 0.025 . 1 . . 415 . A 134 SER N . 34088 1
219 . 1 1 135 135 MET H H 1 8.755 0.002 . 1 . . 960 . A 135 MET H . 34088 1
220 . 1 1 135 135 MET CA C 13 54.533 . . 1 . . 1118 . A 135 MET CA . 34088 1
221 . 1 1 135 135 MET N N 15 123.136 0.028 . 1 . . 961 . A 135 MET N . 34088 1
222 . 1 1 136 136 TYR H H 1 9.275 0.0 . 1 . . 1022 . A 136 TYR H . 34088 1
223 . 1 1 136 136 TYR CA C 13 54.738 . . 1 . . 1151 . A 136 TYR CA . 34088 1
224 . 1 1 136 136 TYR N N 15 119.177 0.002 . 1 . . 1020 . A 136 TYR N . 34088 1
225 . 1 1 137 137 LYS H H 1 8.934 0.007 . 1 . . 1125 . A 137 LYS H . 34088 1
226 . 1 1 137 137 LYS CA C 13 53.197 . . 1 . . 223 . A 137 LYS CA . 34088 1
227 . 1 1 137 137 LYS N N 15 119.597 0.045 . 1 . . 1124 . A 137 LYS N . 34088 1
228 . 1 1 138 138 PHE H H 1 9.078 0.0 . 1 . . 1154 . A 138 PHE H . 34088 1
229 . 1 1 138 138 PHE CA C 13 57.262 . . 1 . . 1152 . A 138 PHE CA . 34088 1
230 . 1 1 138 138 PHE N N 15 124.950 0.0 . 1 . . 1153 . A 138 PHE N . 34088 1
231 . 1 1 139 139 ALA H H 1 9.245 0.01 . 1 . . 1120 . A 139 ALA H . 34088 1
232 . 1 1 139 139 ALA CA C 13 52.471 . . 1 . . 1137 . A 139 ALA CA . 34088 1
233 . 1 1 139 139 ALA N N 15 123.310 0.056 . 1 . . 1119 . A 139 ALA N . 34088 1
234 . 1 1 140 140 ASN H H 1 8.717 0.008 . 1 . . 716 . A 140 ASN H . 34088 1
235 . 1 1 140 140 ASN CA C 13 57.666 . . 1 . . 643 . A 140 ASN CA . 34088 1
236 . 1 1 140 140 ASN N N 15 111.363 0.074 . 1 . . 644 . A 140 ASN N . 34088 1
237 . 1 1 141 141 ASP H H 1 8.424 0.003 . 1 . . 889 . A 141 ASP H . 34088 1
238 . 1 1 141 141 ASP CA C 13 56.301 . . 1 . . 888 . A 141 ASP CA . 34088 1
239 . 1 1 141 141 ASP N N 15 112.083 0.041 . 1 . . 887 . A 141 ASP N . 34088 1
240 . 1 1 142 142 LEU H H 1 8.371 0.017 . 1 . . 757 . A 142 LEU H . 34088 1
241 . 1 1 142 142 LEU CA C 13 58.170 . . 1 . . 97 . A 142 LEU CA . 34088 1
242 . 1 1 142 142 LEU N N 15 116.606 0.055 . 1 . . 478 . A 142 LEU N . 34088 1
243 . 1 1 143 143 ASN H H 1 9.013 0.02 . 1 . . 722 . A 143 ASN H . 34088 1
244 . 1 1 143 143 ASN CA C 13 55.904 . . 1 . . 473 . A 143 ASN CA . 34088 1
245 . 1 1 143 143 ASN N N 15 115.994 0.056 . 1 . . 474 . A 143 ASN N . 34088 1
246 . 1 1 144 144 THR H H 1 7.606 0.011 . 1 . . 736 . A 144 THR H . 34088 1
247 . 1 1 144 144 THR CA C 13 65.809 . . 1 . . 1 . A 144 THR CA . 34088 1
248 . 1 1 144 144 THR N N 15 116.179 0.031 . 1 . . 463 . A 144 THR N . 34088 1
249 . 1 1 145 145 THR H H 1 8.678 0.011 . 1 . . 748 . A 145 THR H . 34088 1
250 . 1 1 145 145 THR CA C 13 63.023 . . 1 . . 13 . A 145 THR CA . 34088 1
251 . 1 1 145 145 THR N N 15 109.935 0.047 . 1 . . 464 . A 145 THR N . 34088 1
252 . 1 1 146 146 GLY H H 1 8.297 0.007 . 1 . . 744 . A 146 GLY H . 34088 1
253 . 1 1 146 146 GLY CA C 13 46.306 . . 1 . . 376 . A 146 GLY CA . 34088 1
254 . 1 1 146 146 GLY N N 15 109.052 0.037 . 1 . . 377 . A 146 GLY N . 34088 1
255 . 1 1 147 147 TYR H H 1 7.088 0.01 . 1 . . 719 . A 147 TYR H . 34088 1
256 . 1 1 147 147 TYR CA C 13 58.597 . . 1 . . 584 . A 147 TYR CA . 34088 1
257 . 1 1 147 147 TYR N N 15 120.376 0.113 . 1 . . 585 . A 147 TYR N . 34088 1
258 . 1 1 148 148 ALA H H 1 8.320 . . 1 . . 919 . A 148 ALA H . 34088 1
259 . 1 1 148 148 ALA CA C 13 51.624 . . 1 . . 247 . A 148 ALA CA . 34088 1
260 . 1 1 148 148 ALA N N 15 123.055 . . 1 . . 553 . A 148 ALA N . 34088 1
261 . 1 1 149 149 ASP H H 1 8.288 0.02 . 1 . . 749 . A 149 ASP H . 34088 1
262 . 1 1 149 149 ASP CA C 13 57.014 . . 1 . . 555 . A 149 ASP CA . 34088 1
263 . 1 1 149 149 ASP N N 15 115.477 0.028 . 1 . . 556 . A 149 ASP N . 34088 1
264 . 1 1 150 150 THR H H 1 8.438 0.001 . 1 . . 711 . A 150 THR H . 34088 1
265 . 1 1 150 150 THR CA C 13 62.434 . . 1 . . 22 . A 150 THR CA . 34088 1
266 . 1 1 150 150 THR N N 15 118.276 0.003 . 1 . . 461 . A 150 THR N . 34088 1
267 . 1 1 151 151 ARG H H 1 8.965 0.001 . 1 . . 813 . A 151 ARG H . 34088 1
268 . 1 1 151 151 ARG CA C 13 55.348 . . 1 . . 812 . A 151 ARG CA . 34088 1
269 . 1 1 151 151 ARG N N 15 125.016 0.02 . 1 . . 811 . A 151 ARG N . 34088 1
270 . 1 1 153 153 GLU H H 1 9.101 0.02 . 1 . . 963 . A 153 GLU H . 34088 1
271 . 1 1 153 153 GLU CA C 13 54.123 . . 1 . . 666 . A 153 GLU CA . 34088 1
272 . 1 1 153 153 GLU N N 15 127.861 0.069 . 1 . . 962 . A 153 GLU N . 34088 1
273 . 1 1 154 154 THR H H 1 9.049 0.016 . 1 . . 737 . A 154 THR H . 34088 1
274 . 1 1 154 154 THR CA C 13 60.103 . . 1 . . 28 . A 154 THR CA . 34088 1
275 . 1 1 154 154 THR N N 15 122.140 0.045 . 1 . . 469 . A 154 THR N . 34088 1
276 . 1 1 155 155 GLU H H 1 5.359 0.029 . 1 . . 738 . A 155 GLU H . 34088 1
277 . 1 1 155 155 GLU CA C 13 56.291 . . 1 . . 619 . A 155 GLU CA . 34088 1
278 . 1 1 155 155 GLU N N 15 123.765 0.037 . 1 . . 620 . A 155 GLU N . 34088 1
279 . 1 1 156 156 THR H H 1 9.004 0.019 . 1 . . 976 . A 156 THR H . 34088 1
280 . 1 1 156 156 THR CA C 13 60.103 . . 1 . . 33 . A 156 THR CA . 34088 1
281 . 1 1 156 156 THR N N 15 122.456 0.146 . 1 . . 468 . A 156 THR N . 34088 1
282 . 1 1 157 157 GLY H H 1 8.768 0.017 . 1 . . 751 . A 157 GLY H . 34088 1
283 . 1 1 157 157 GLY CA C 13 48.075 . . 1 . . 362 . A 157 GLY CA . 34088 1
284 . 1 1 157 157 GLY N N 15 113.935 0.03 . 1 . . 363 . A 157 GLY N . 34088 1
285 . 1 1 158 158 LEU H H 1 8.563 0.014 . 1 . . 732 . A 158 LEU H . 34088 1
286 . 1 1 158 158 LEU CA C 13 53.086 . . 1 . . 125 . A 158 LEU CA . 34088 1
287 . 1 1 158 158 LEU N N 15 118.394 0.043 . 1 . . 490 . A 158 LEU N . 34088 1
288 . 1 1 159 159 GLN H H 1 9.105 0.004 . 1 . . 822 . A 159 GLN H . 34088 1
289 . 1 1 159 159 GLN CA C 13 54.032 . . 1 . . 652 . A 159 GLN CA . 34088 1
290 . 1 1 159 159 GLN N N 15 120.358 0.034 . 1 . . 821 . A 159 GLN N . 34088 1
291 . 1 1 160 160 TYR H H 1 10.066 0.019 . 1 . . 1169 . A 160 TYR H . 34088 1
292 . 1 1 160 160 TYR CA C 13 56.840 . . 1 . . 339 . A 160 TYR CA . 34088 1
293 . 1 1 160 160 TYR N N 15 130.878 0.039 . 1 . . 340 . A 160 TYR N . 34088 1
294 . 1 1 161 161 THR H H 1 8.375 0.0 . 1 . . 900 . A 161 THR H . 34088 1
295 . 1 1 161 161 THR CA C 13 63.308 . . 1 . . 11 . A 161 THR CA . 34088 1
296 . 1 1 161 161 THR N N 15 125.219 . . 1 . . 462 . A 161 THR N . 34088 1
297 . 1 1 162 162 PHE H H 1 8.616 0.016 . 1 . . 924 . A 162 PHE H . 34088 1
298 . 1 1 162 162 PHE CA C 13 61.538 . . 1 . . 335 . A 162 PHE CA . 34088 1
299 . 1 1 162 162 PHE N N 15 126.419 0.064 . 1 . . 336 . A 162 PHE N . 34088 1
300 . 1 1 163 163 ASN H H 1 8.228 0.011 . 1 . . 739 . A 163 ASN H . 34088 1
301 . 1 1 163 163 ASN CA C 13 52.991 . . 1 . . 614 . A 163 ASN CA . 34088 1
302 . 1 1 163 163 ASN N N 15 111.300 0.047 . 1 . . 615 . A 163 ASN N . 34088 1
303 . 1 1 164 164 GLU H H 1 8.991 0.009 . 1 . . 750 . A 164 GLU H . 34088 1
304 . 1 1 164 164 GLU CA C 13 59.418 . . 1 . . 567 . A 164 GLU CA . 34088 1
305 . 1 1 164 164 GLU N N 15 114.752 0.076 . 1 . . 568 . A 164 GLU N . 34088 1
306 . 1 1 165 165 THR H H 1 8.799 . . 1 . . 1213 . A 165 THR H . 34088 1
307 . 1 1 165 165 THR N N 15 115.930 . . 1 . . 1212 . A 165 THR N . 34088 1
308 . 1 1 166 166 VAL H H 1 8.018 0.009 . 1 . . 920 . A 166 VAL H . 34088 1
309 . 1 1 166 166 VAL N N 15 119.371 0.051 . 1 . . 561 . A 166 VAL N . 34088 1
310 . 1 1 167 167 ALA H H 1 8.190 0.005 . 1 . . 672 . A 167 ALA H . 34088 1
311 . 1 1 167 167 ALA CA C 13 51.098 . . 1 . . 253 . A 167 ALA CA . 34088 1
312 . 1 1 167 167 ALA N N 15 128.488 0.069 . 1 . . 263 . A 167 ALA N . 34088 1
313 . 1 1 168 168 LEU H H 1 9.194 0.034 . 1 . . 742 . A 168 LEU H . 34088 1
314 . 1 1 168 168 LEU CA C 13 54.211 . . 1 . . 122 . A 168 LEU CA . 34088 1
315 . 1 1 168 168 LEU N N 15 116.828 0.026 . 1 . . 587 . A 168 LEU N . 34088 1
316 . 1 1 169 169 ARG H H 1 9.489 0.008 . 1 . . 773 . A 169 ARG H . 34088 1
317 . 1 1 169 169 ARG CA C 13 54.993 . . 1 . . 454 . A 169 ARG CA . 34088 1
318 . 1 1 169 169 ARG N N 15 124.579 0.032 . 1 . . 589 . A 169 ARG N . 34088 1
319 . 1 1 170 170 VAL H H 1 8.959 0.009 . 1 . . 713 . A 170 VAL H . 34088 1
320 . 1 1 170 170 VAL CA C 13 63.340 . . 1 . . 558 . A 170 VAL CA . 34088 1
321 . 1 1 170 170 VAL N N 15 122.324 0.02 . 1 . . 559 . A 170 VAL N . 34088 1
322 . 1 1 171 171 ASN H H 1 9.699 0.012 . 1 . . 942 . A 171 ASN H . 34088 1
323 . 1 1 171 171 ASN CA C 13 51.459 . . 1 . . 945 . A 171 ASN CA . 34088 1
324 . 1 1 171 171 ASN N N 15 121.854 0.012 . 1 . . 944 . A 171 ASN N . 34088 1
325 . 1 1 172 172 TYR H H 1 9.718 0.007 . 1 . . 948 . A 172 TYR H . 34088 1
326 . 1 1 172 172 TYR CA C 13 57.535 . . 1 . . 861 . A 172 TYR CA . 34088 1
327 . 1 1 172 172 TYR N N 15 122.050 0.01 . 1 . . 1160 . A 172 TYR N . 34088 1
328 . 1 1 173 173 TYR H H 1 8.439 0.002 . 1 . . 938 . A 173 TYR H . 34088 1
329 . 1 1 173 173 TYR CA C 13 56.249 . . 1 . . 937 . A 173 TYR CA . 34088 1
330 . 1 1 173 173 TYR N N 15 127.837 0.034 . 1 . . 936 . A 173 TYR N . 34088 1
331 . 1 1 174 174 LEU H H 1 7.520 0.009 . 1 . . 756 . A 174 LEU H . 34088 1
332 . 1 1 174 174 LEU CA C 13 52.927 . . 1 . . 109 . A 174 LEU CA . 34088 1
333 . 1 1 174 174 LEU N N 15 126.407 0.041 . 1 . . 491 . A 174 LEU N . 34088 1
334 . 1 1 175 175 GLU H H 1 8.782 0.0 . 1 . . 965 . A 175 GLU H . 34088 1
335 . 1 1 175 175 GLU CA C 13 55.274 . . 1 . . 966 . A 175 GLU CA . 34088 1
336 . 1 1 175 175 GLU N N 15 124.396 0.004 . 1 . . 967 . A 175 GLU N . 34088 1
337 . 1 1 194 194 ILE H H 1 8.765 0.0 . 1 . . 1216 . A 194 ILE H . 34088 1
338 . 1 1 194 194 ILE CA C 13 59.375 . . 1 . . 1215 . A 194 ILE CA . 34088 1
339 . 1 1 194 194 ILE N N 15 117.525 . . 1 . . 1214 . A 194 ILE N . 34088 1
340 . 1 1 195 195 ARG H H 1 9.530 0.013 . 1 . . 846 . A 195 ARG H . 34088 1
341 . 1 1 195 195 ARG CA C 13 55.249 . . 1 . . 451 . A 195 ARG CA . 34088 1
342 . 1 1 195 195 ARG N N 15 126.295 0.055 . 1 . . 845 . A 195 ARG N . 34088 1
343 . 1 1 196 196 ALA H H 1 8.646 0.038 . 1 . . 715 . A 196 ALA H . 34088 1
344 . 1 1 196 196 ALA CA C 13 50.043 . . 1 . . 245 . A 196 ALA CA . 34088 1
345 . 1 1 196 196 ALA N N 15 124.821 0.165 . 1 . . 258 . A 196 ALA N . 34088 1
346 . 1 1 197 197 TYR H H 1 9.709 0.008 . 1 . . 671 . A 197 TYR H . 34088 1
347 . 1 1 197 197 TYR CA C 13 56.256 . . 1 . . 296 . A 197 TYR CA . 34088 1
348 . 1 1 197 197 TYR N N 15 117.645 0.034 . 1 . . 297 . A 197 TYR N . 34088 1
349 . 1 1 198 198 LEU H H 1 8.319 0.004 . 1 . . 723 . A 198 LEU H . 34088 1
350 . 1 1 198 198 LEU CA C 13 51.904 . . 1 . . 102 . A 198 LEU CA . 34088 1
351 . 1 1 198 198 LEU N N 15 123.553 0.025 . 1 . . 494 . A 198 LEU N . 34088 1
352 . 1 1 200 200 LEU H H 1 9.590 0.017 . 1 . . 790 . A 200 LEU H . 34088 1
353 . 1 1 200 200 LEU CA C 13 53.432 . . 1 . . 791 . A 200 LEU CA . 34088 1
354 . 1 1 200 200 LEU N N 15 126.847 0.087 . 1 . . 788 . A 200 LEU N . 34088 1
355 . 1 1 201 201 THR H H 1 9.760 0.027 . 1 . . 769 . A 201 THR H . 34088 1
356 . 1 1 201 201 THR CA C 13 61.914 . . 1 . . 16 . A 201 THR CA . 34088 1
357 . 1 1 201 201 THR N N 15 122.436 0.032 . 1 . . 135 . A 201 THR N . 34088 1
358 . 1 1 202 202 LEU H H 1 8.491 0.018 . 1 . . 760 . A 202 LEU H . 34088 1
359 . 1 1 202 202 LEU CA C 13 52.456 . . 1 . . 99 . A 202 LEU CA . 34088 1
360 . 1 1 202 202 LEU N N 15 128.157 0.096 . 1 . . 489 . A 202 LEU N . 34088 1
361 . 1 1 203 203 GLY H H 1 8.707 0.013 . 1 . . 740 . A 203 GLY H . 34088 1
362 . 1 1 203 203 GLY CA C 13 47.689 . . 1 . . 365 . A 203 GLY CA . 34088 1
363 . 1 1 203 203 GLY N N 15 111.894 0.072 . 1 . . 366 . A 203 GLY N . 34088 1
364 . 1 1 204 204 ASN H H 1 9.586 0.012 . 1 . . 1173 . A 204 ASN H . 34088 1
365 . 1 1 204 204 ASN CA C 13 54.909 . . 1 . . 703 . A 204 ASN CA . 34088 1
366 . 1 1 204 204 ASN N N 15 127.024 0.025 . 1 . . 1174 . A 204 ASN N . 34088 1
367 . 1 1 205 205 HIS H H 1 8.502 0.011 . 1 . . 957 . A 205 HIS H . 34088 1
368 . 1 1 205 205 HIS CA C 13 55.967 . . 1 . . 177 . A 205 HIS CA . 34088 1
369 . 1 1 205 205 HIS N N 15 121.198 0.039 . 1 . . 353 . A 205 HIS N . 34088 1
370 . 1 1 206 206 SER H H 1 9.487 0.006 . 1 . . 823 . A 206 SER H . 34088 1
371 . 1 1 206 206 SER CA C 13 58.135 . . 1 . . 412 . A 206 SER CA . 34088 1
372 . 1 1 206 206 SER N N 15 120.521 0.116 . 1 . . 413 . A 206 SER N . 34088 1
373 . 1 1 207 207 VAL H H 1 8.768 0.06 . 1 . . 958 . A 207 VAL H . 34088 1
374 . 1 1 207 207 VAL CA C 13 61.304 . . 1 . . 743 . A 207 VAL CA . 34088 1
375 . 1 1 207 207 VAL N N 15 124.086 0.027 . 1 . . 912 . A 207 VAL N . 34088 1
376 . 1 1 208 208 THR H H 1 10.121 0.018 . 1 . . 709 . A 208 THR H . 34088 1
377 . 1 1 208 208 THR CA C 13 59.415 . . 1 . . 35 . A 208 THR CA . 34088 1
378 . 1 1 208 208 THR N N 15 121.951 0.039 . 1 . . 467 . A 208 THR N . 34088 1
379 . 1 1 210 210 TYR H H 1 8.979 0.004 . 1 . . 901 . A 210 TYR H . 34088 1
380 . 1 1 210 210 TYR CA C 13 57.329 . . 1 . . 595 . A 210 TYR CA . 34088 1
381 . 1 1 210 210 TYR N N 15 118.422 0.017 . 1 . . 596 . A 210 TYR N . 34088 1
382 . 1 1 211 211 THR H H 1 9.052 0.04 . 1 . . 753 . A 211 THR H . 34088 1
383 . 1 1 211 211 THR CA C 13 59.328 . . 1 . . 39 . A 211 THR CA . 34088 1
384 . 1 1 211 211 THR N N 15 111.418 0.047 . 1 . . 752 . A 211 THR N . 34088 1
385 . 1 1 238 238 GLY H H 1 8.298 0.01 . 1 . . 885 . A 238 GLY H . 34088 1
386 . 1 1 238 238 GLY CA C 13 45.954 . . 1 . . 884 . A 238 GLY CA . 34088 1
387 . 1 1 238 238 GLY N N 15 110.498 0.061 . 1 . . 883 . A 238 GLY N . 34088 1
388 . 1 1 239 239 LEU H H 1 9.187 0.044 . 1 . . 776 . A 239 LEU H . 34088 1
389 . 1 1 239 239 LEU CA C 13 55.190 . . 1 . . 127 . A 239 LEU CA . 34088 1
390 . 1 1 239 239 LEU N N 15 117.861 0.13 . 1 . . 535 . A 239 LEU N . 34088 1
391 . 1 1 240 240 PHE H H 1 8.251 0.0 . 1 . . 985 . A 240 PHE H . 34088 1
392 . 1 1 240 240 PHE CA C 13 57.118 . . 1 . . 1156 . A 240 PHE CA . 34088 1
393 . 1 1 240 240 PHE N N 15 124.804 0.155 . 1 . . 984 . A 240 PHE N . 34088 1
394 . 1 1 241 241 TYR H H 1 9.377 0.05 . 1 . . 787 . A 241 TYR H . 34088 1
395 . 1 1 241 241 TYR CA C 13 56.905 . . 1 . . 910 . A 241 TYR CA . 34088 1
396 . 1 1 241 241 TYR N N 15 130.105 0.132 . 1 . . 342 . A 241 TYR N . 34088 1
397 . 1 1 242 242 GLY H H 1 8.714 0.005 . 1 . . 830 . A 242 GLY H . 34088 1
398 . 1 1 242 242 GLY CA C 13 44.433 . . 1 . . 389 . A 242 GLY CA . 34088 1
399 . 1 1 242 242 GLY N N 15 113.574 0.062 . 1 . . 390 . A 242 GLY N . 34088 1
400 . 1 1 243 243 TYR H H 1 8.192 0.005 . 1 . . 718 . A 243 TYR H . 34088 1
401 . 1 1 243 243 TYR CA C 13 58.479 . . 1 . . 600 . A 243 TYR CA . 34088 1
402 . 1 1 243 243 TYR N N 15 118.580 0.044 . 1 . . 599 . A 243 TYR N . 34088 1
403 . 1 1 244 244 ASP H H 1 6.553 0.009 . 1 . . 1057 . A 244 ASP H . 34088 1
404 . 1 1 244 244 ASP CA C 13 52.852 . . 1 . . 814 . A 244 ASP CA . 34088 1
405 . 1 1 244 244 ASP N N 15 125.877 0.027 . 1 . . 1056 . A 244 ASP N . 34088 1
406 . 1 1 245 245 PHE H H 1 8.731 0.007 . 1 . . 1106 . A 245 PHE H . 34088 1
407 . 1 1 245 245 PHE CA C 13 60.661 . . 1 . . 324 . A 245 PHE CA . 34088 1
408 . 1 1 245 245 PHE N N 15 121.042 0.066 . 1 . . 323 . A 245 PHE N . 34088 1
409 . 1 1 250 250 SER H H 1 9.816 0.018 . 1 . . 881 . A 250 SER H . 34088 1
410 . 1 1 250 250 SER CA C 13 58.236 . . 1 . . 523 . A 250 SER CA . 34088 1
411 . 1 1 250 250 SER N N 15 119.431 0.021 . 1 . . 880 . A 250 SER N . 34088 1
412 . 1 1 251 251 VAL H H 1 8.975 0.005 . 1 . . 978 . A 251 VAL H . 34088 1
413 . 1 1 251 251 VAL CA C 13 59.418 . . 1 . . 526 . A 251 VAL CA . 34088 1
414 . 1 1 251 251 VAL N N 15 114.272 0.15 . 1 . . 527 . A 251 VAL N . 34088 1
415 . 1 1 252 252 SER H H 1 9.456 0.015 . 1 . . 741 . A 252 SER H . 34088 1
416 . 1 1 252 252 SER CA C 13 57.535 . . 1 . . 409 . A 252 SER CA . 34088 1
417 . 1 1 252 252 SER N N 15 119.170 0.042 . 1 . . 410 . A 252 SER N . 34088 1
418 . 1 1 253 253 LEU H H 1 9.688 0.003 . 1 . . 925 . A 253 LEU H . 34088 1
419 . 1 1 253 253 LEU CA C 13 54.905 . . 1 . . 123 . A 253 LEU CA . 34088 1
420 . 1 1 253 253 LEU N N 15 121.479 0.012 . 1 . . 539 . A 253 LEU N . 34088 1
421 . 1 1 254 254 GLU H H 1 9.268 0.026 . 1 . . 1191 . A 254 GLU H . 34088 1
422 . 1 1 254 254 GLU CA C 13 55.462 . . 1 . . 1189 . A 254 GLU CA . 34088 1
423 . 1 1 254 254 GLU N N 15 122.330 0.025 . 1 . . 1190 . A 254 GLU N . 34088 1
424 . 1 1 255 255 TYR H H 1 8.561 0.015 . 1 . . 1085 . A 255 TYR H . 34088 1
425 . 1 1 255 255 TYR CA C 13 57.113 . . 1 . . 1084 . A 255 TYR CA . 34088 1
426 . 1 1 255 255 TYR N N 15 123.537 0.032 . 1 . . 1083 . A 255 TYR N . 34088 1
427 . 1 1 274 274 GLY H H 1 8.955 0.006 . 1 . . 667 . A 274 GLY H . 34088 1
428 . 1 1 274 274 GLY CA C 13 46.611 . . 1 . . 379 . A 274 GLY CA . 34088 1
429 . 1 1 274 274 GLY N N 15 104.933 0.146 . 1 . . 380 . A 274 GLY N . 34088 1
430 . 1 1 275 275 VAL H H 1 8.993 0.0 . 1 . . 1162 . A 275 VAL H . 34088 1
431 . 1 1 275 275 VAL CA C 13 59.672 . . 1 . . 636 . A 275 VAL CA . 34088 1
432 . 1 1 275 275 VAL N N 15 120.381 0.002 . 1 . . 635 . A 275 VAL N . 34088 1
433 . 1 1 276 276 GLY H H 1 9.182 0.011 . 1 . . 975 . A 276 GLY H . 34088 1
434 . 1 1 276 276 GLY CA C 13 46.092 . . 1 . . 370 . A 276 GLY CA . 34088 1
435 . 1 1 276 276 GLY N N 15 111.682 0.058 . 1 . . 371 . A 276 GLY N . 34088 1
436 . 1 1 277 277 VAL H H 1 8.891 0.019 . 1 . . 1129 . A 277 VAL H . 34088 1
437 . 1 1 277 277 VAL CA C 13 60.200 . . 1 . . 1208 . A 277 VAL CA . 34088 1
438 . 1 1 277 277 VAL N N 15 115.893 0.193 . 1 . . 998 . A 277 VAL N . 34088 1
439 . 1 1 278 278 ASN H H 1 9.087 0.034 . 1 . . 1131 . A 278 ASN H . 34088 1
440 . 1 1 278 278 ASN CA C 13 53.602 . . 1 . . 1200 . A 278 ASN CA . 34088 1
441 . 1 1 278 278 ASN N N 15 123.625 0.058 . 1 . . 1130 . A 278 ASN N . 34088 1
442 . 1 1 279 279 TYR H H 1 10.120 0.016 . 1 . . 980 . A 279 TYR H . 34088 1
443 . 1 1 279 279 TYR CA C 13 57.302 . . 1 . . 1210 . A 279 TYR CA . 34088 1
444 . 1 1 279 279 TYR N N 15 126.573 0.077 . 1 . . 979 . A 279 TYR N . 34088 1
445 . 1 1 280 280 SER H H 1 8.318 . . 1 . . 986 . A 280 SER H . 34088 1
446 . 1 1 280 280 SER CA C 13 56.352 . . 1 . . 407 . A 280 SER CA . 34088 1
447 . 1 1 280 280 SER N N 15 123.736 . . 1 . . 1223 . A 280 SER N . 34088 1
448 . 1 1 281 281 PHE H H 1 8.865 0.017 . 1 . . 1222 . A 281 PHE H . 34088 1
449 . 1 1 281 281 PHE CA C 13 58.674 . . 1 . . 1248 . A 281 PHE CA . 34088 1
450 . 1 1 281 281 PHE N N 15 127.121 0.034 . 1 . . 1250 . A 281 PHE N . 34088 1
stop_
save_
###################################
# 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_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2
_Assigned_chem_shift_list.Entry_ID 34088
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2
_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
;
Chemical shift list corresponding to 13C-detected experiments.
List contains 15N, and 13C chemical shifts including side-chain 13C.
;
_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 '3D (H)N(HH)NH RFDR 2ms' . . . 34088 2
2 '3D (H)NHH RFDR 2ms' . . . 34088 2
3 '2D 13C-13C DARR 200ms' . . . 34088 2
4 '2D 13C-13C DARR 400ms' . . . 34088 2
5 '2D 13C-13C DARR 200ms' . . . 34088 2
6 '2D 13C-13C DARR 400ms' . . . 34088 2
7 '2D 13C-13C DARR 400ms' . . . 34088 2
8 '2D 13C-13C DARR 150ms' . . . 34088 2
9 '2D 13C-13C DARR 150ms' . . . 34088 2
10 '2D 13C-13C DARR 400ms' . . . 34088 2
11 '2D 13C-13C DARR 150ms' . . . 34088 2
12 '2D 13C-13C DARR 400ms' . . . 34088 2
13 '2D 13C-13C DARR 500ms' . . . 34088 2
14 '3D (H)CANH' . . . 34088 2
15 '3D (H)CANH' . . . 34088 2
16 '3D (HCO)CA(CO)NH' . . . 34088 2
17 '3D (HCA)CB(CA)NH' . . . 34088 2
18 '3D (HCA)CBCA(CO)NH' . . . 34088 2
19 '3D (H)CONH' . . . 34088 2
20 '3D (H)CO(CA)NH' . . . 34088 2
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.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 8 8 HIS C C 13 174.144 0.175 . 1 . . 1253 . A 8 HIS C . 34088 2
2 . 1 1 8 8 HIS CA C 13 54.998 0.092 . 1 . . 168 . A 8 HIS CA . 34088 2
3 . 1 1 8 8 HIS CB C 13 31.763 0.156 . 1 . . 167 . A 8 HIS CB . 34088 2
4 . 1 1 8 8 HIS CG C 13 131.265 0.154 . 1 . . 169 . A 8 HIS CG . 34088 2
5 . 1 1 8 8 HIS CD2 C 13 120.988 0.119 . 1 . . 170 . A 8 HIS CD2 . 34088 2
6 . 1 1 8 8 HIS N N 15 118.404 0.264 . 1 . . 1219 . A 8 HIS N . 34088 2
7 . 1 1 9 9 PHE CA C 13 57.116 0.08 . 1 . . 1204 . A 9 PHE CA . 34088 2
8 . 1 1 9 9 PHE CB C 13 43.362 0.105 . 1 . . 1205 . A 9 PHE CB . 34088 2
9 . 1 1 9 9 PHE CG C 13 139.701 0.069 . 1 . . 1284 . A 9 PHE CG . 34088 2
10 . 1 1 9 9 PHE N N 15 123.680 0.445 . 1 . . 1227 . A 9 PHE N . 34088 2
11 . 1 1 10 10 ASN C C 13 173.879 . . 1 . . 1263 . A 10 ASN C . 34088 2
12 . 1 1 10 10 ASN CA C 13 54.186 0.17 . 1 . . 1199 . A 10 ASN CA . 34088 2
13 . 1 1 10 10 ASN CB C 13 44.096 0.097 . 1 . . 1198 . A 10 ASN CB . 34088 2
14 . 1 1 10 10 ASN CG C 13 178.500 . . 1 . . 1282 . A 10 ASN CG . 34088 2
15 . 1 1 10 10 ASN N N 15 117.511 0.216 . 1 . . 1007 . A 10 ASN N . 34088 2
16 . 1 1 11 11 ILE C C 13 175.451 0.114 . 1 . . 1268 . A 11 ILE C . 34088 2
17 . 1 1 11 11 ILE CA C 13 59.663 0.106 . 1 . . 215 . A 11 ILE CA . 34088 2
18 . 1 1 11 11 ILE CB C 13 43.476 0.077 . 1 . . 214 . A 11 ILE CB . 34088 2
19 . 1 1 11 11 ILE CG1 C 13 27.998 0.209 . 1 . . 216 . A 11 ILE CG1 . 34088 2
20 . 1 1 11 11 ILE CG2 C 13 18.897 0.124 . 1 . . 217 . A 11 ILE CG2 . 34088 2
21 . 1 1 11 11 ILE CD1 C 13 14.460 0.097 . 1 . . 218 . A 11 ILE CD1 . 34088 2
22 . 1 1 12 12 GLY C C 13 170.370 0.087 . 1 . . 766 . A 12 GLY C . 34088 2
23 . 1 1 12 12 GLY CA C 13 47.105 0.124 . 1 . . 725 . A 12 GLY CA . 34088 2
24 . 1 1 12 12 GLY N N 15 109.727 0.251 . 1 . . 604 . A 12 GLY N . 34088 2
25 . 1 1 13 13 ALA C C 13 176.089 0.138 . 1 . . 271 . A 13 ALA C . 34088 2
26 . 1 1 13 13 ALA CA C 13 51.073 0.127 . 1 . . 261 . A 13 ALA CA . 34088 2
27 . 1 1 13 13 ALA CB C 13 24.120 0.079 . 1 . . 260 . A 13 ALA CB . 34088 2
28 . 1 1 13 13 ALA N N 15 116.544 0.347 . 1 . . 262 . A 13 ALA N . 34088 2
29 . 1 1 14 14 MET CA C 13 55.078 0.055 . 1 . . 1144 . A 14 MET CA . 34088 2
30 . 1 1 14 14 MET CB C 13 37.752 0.286 . 1 . . 682 . A 14 MET CB . 34088 2
31 . 1 1 14 14 MET CG C 13 32.660 0.127 . 1 . . 70 . A 14 MET CG . 34088 2
32 . 1 1 14 14 MET CE C 13 17.072 0.1 . 1 . . 681 . A 14 MET CE . 34088 2
33 . 1 1 15 15 TYR CA C 13 59.582 0.065 . 1 . . 331 . A 15 TYR CA . 34088 2
34 . 1 1 15 15 TYR CB C 13 42.930 0.145 . 1 . . 333 . A 15 TYR CB . 34088 2
35 . 1 1 15 15 TYR CG C 13 132.798 0.101 . 1 . . 332 . A 15 TYR CG . 34088 2
36 . 1 1 15 15 TYR N N 15 122.752 0.368 . 1 . . 330 . A 15 TYR N . 34088 2
37 . 1 1 31 31 ALA C C 13 178.899 0.12 . 1 . . 1194 . A 31 ALA C . 34088 2
38 . 1 1 31 31 ALA CA C 13 51.820 0.079 . 1 . . 249 . A 31 ALA CA . 34088 2
39 . 1 1 31 31 ALA CB C 13 22.056 0.139 . 1 . . 248 . A 31 ALA CB . 34088 2
40 . 1 1 31 31 ALA N N 15 124.392 0.425 . 1 . . 273 . A 31 ALA N . 34088 2
41 . 1 1 32 32 GLU CA C 13 52.410 0.109 . 1 . . 1123 . A 32 GLU CA . 34088 2
42 . 1 1 32 32 GLU CB C 13 29.108 0.095 . 1 . . 651 . A 32 GLU CB . 34088 2
43 . 1 1 32 32 GLU CG C 13 32.404 0.027 . 1 . . 650 . A 32 GLU CG . 34088 2
44 . 1 1 33 33 PRO C C 13 175.844 0.067 . 1 . . 625 . A 33 PRO C . 34088 2
45 . 1 1 33 33 PRO CA C 13 62.497 0.064 . 1 . . 48 . A 33 PRO CA . 34088 2
46 . 1 1 33 33 PRO CB C 13 33.603 0.22 . 1 . . 46 . A 33 PRO CB . 34088 2
47 . 1 1 33 33 PRO CG C 13 27.141 0.104 . 1 . . 485 . A 33 PRO CG . 34088 2
48 . 1 1 33 33 PRO CD C 13 49.464 0.071 . 1 . . 47 . A 33 PRO CD . 34088 2
49 . 1 1 33 33 PRO N N 15 141.111 0.245 . 1 . . 501 . A 33 PRO N . 34088 2
50 . 1 1 34 34 SER C C 13 173.665 0.161 . 1 . . 626 . A 34 SER C . 34088 2
51 . 1 1 34 34 SER CA C 13 58.834 0.122 . 1 . . 417 . A 34 SER CA . 34088 2
52 . 1 1 34 34 SER CB C 13 67.396 0.15 . 1 . . 416 . A 34 SER CB . 34088 2
53 . 1 1 34 34 SER N N 15 110.293 0.23 . 1 . . 418 . A 34 SER N . 34088 2
54 . 1 1 35 35 VAL CA C 13 59.548 0.238 . 1 . . 628 . A 35 VAL CA . 34088 2
55 . 1 1 35 35 VAL CB C 13 36.169 0.148 . 1 . . 629 . A 35 VAL CB . 34088 2
56 . 1 1 35 35 VAL CG1 C 13 21.301 0.107 . 1 . . 630 . A 35 VAL CG1 . 34088 2
57 . 1 1 35 35 VAL N N 15 111.352 0.211 . 1 . . 627 . A 35 VAL N . 34088 2
58 . 1 1 36 36 TYR CA C 13 57.059 0.139 . 1 . . 312 . A 36 TYR CA . 34088 2
59 . 1 1 36 36 TYR CB C 13 42.373 0.116 . 1 . . 311 . A 36 TYR CB . 34088 2
60 . 1 1 36 36 TYR CG C 13 130.696 0.082 . 1 . . 314 . A 36 TYR CG . 34088 2
61 . 1 1 36 36 TYR N N 15 118.563 0.267 . 1 . . 313 . A 36 TYR N . 34088 2
62 . 1 1 37 37 PHE CA C 13 56.476 0.124 . 1 . . 307 . A 37 PHE CA . 34088 2
63 . 1 1 37 37 PHE CB C 13 45.307 0.06 . 1 . . 306 . A 37 PHE CB . 34088 2
64 . 1 1 37 37 PHE CG C 13 139.459 0.01 . 1 . . 1228 . A 37 PHE CG . 34088 2
65 . 1 1 37 37 PHE N N 15 118.554 . . 1 . . 308 . A 37 PHE N . 34088 2
66 . 1 1 38 38 ASN C C 13 172.085 0.094 . 1 . . 545 . A 38 ASN C . 34088 2
67 . 1 1 38 38 ASN CA C 13 53.131 0.093 . 1 . . 862 . A 38 ASN CA . 34088 2
68 . 1 1 38 38 ASN CB C 13 42.729 0.099 . 1 . . 546 . A 38 ASN CB . 34088 2
69 . 1 1 38 38 ASN N N 15 121.480 0.06 . 1 . . 1267 . A 38 ASN N . 34088 2
70 . 1 1 39 39 ALA C C 13 175.306 0.124 . 1 . . 270 . A 39 ALA C . 34088 2
71 . 1 1 39 39 ALA CA C 13 51.079 0.08 . 1 . . 257 . A 39 ALA CA . 34088 2
72 . 1 1 39 39 ALA CB C 13 25.184 0.082 . 1 . . 256 . A 39 ALA CB . 34088 2
73 . 1 1 39 39 ALA N N 15 119.926 0.291 . 1 . . 259 . A 39 ALA N . 34088 2
74 . 1 1 40 40 ALA C C 13 175.939 0.033 . 1 . . 573 . A 40 ALA C . 34088 2
75 . 1 1 40 40 ALA CA C 13 51.262 0.16 . 1 . . 266 . A 40 ALA CA . 34088 2
76 . 1 1 40 40 ALA CB C 13 24.057 0.119 . 1 . . 265 . A 40 ALA CB . 34088 2
77 . 1 1 40 40 ALA N N 15 123.233 0.296 . 1 . . 267 . A 40 ALA N . 34088 2
78 . 1 1 41 41 ASN C C 13 175.447 0.089 . 1 . . 1266 . A 41 ASN C . 34088 2
79 . 1 1 41 41 ASN CA C 13 53.253 0.168 . 1 . . 727 . A 41 ASN CA . 34088 2
80 . 1 1 41 41 ASN CB C 13 39.321 0.181 . 1 . . 824 . A 41 ASN CB . 34088 2
81 . 1 1 42 42 GLY C C 13 174.149 0.084 . 1 . . 384 . A 42 GLY C . 34088 2
82 . 1 1 42 42 GLY CA C 13 45.409 0.096 . 1 . . 385 . A 42 GLY CA . 34088 2
83 . 1 1 42 42 GLY N N 15 116.748 0.129 . 1 . . 386 . A 42 GLY N . 34088 2
84 . 1 1 43 43 PRO C C 13 176.409 0.108 . 1 . . 970 . A 43 PRO C . 34088 2
85 . 1 1 43 43 PRO CA C 13 63.657 0.119 . 1 . . 59 . A 43 PRO CA . 34088 2
86 . 1 1 43 43 PRO CB C 13 32.469 0.075 . 1 . . 57 . A 43 PRO CB . 34088 2
87 . 1 1 43 43 PRO CG C 13 26.623 0.036 . 1 . . 486 . A 43 PRO CG . 34088 2
88 . 1 1 43 43 PRO CD C 13 51.190 0.052 . 1 . . 58 . A 43 PRO CD . 34088 2
89 . 1 1 43 43 PRO N N 15 137.228 . . 1 . . 75 . A 43 PRO N . 34088 2
90 . 1 1 44 44 TRP C C 13 177.622 0.069 . 1 . . 190 . A 44 TRP C . 34088 2
91 . 1 1 44 44 TRP CA C 13 57.630 0.085 . 1 . . 149 . A 44 TRP CA . 34088 2
92 . 1 1 44 44 TRP CB C 13 33.430 0.111 . 1 . . 148 . A 44 TRP CB . 34088 2
93 . 1 1 44 44 TRP CG C 13 112.641 0.101 . 1 . . 152 . A 44 TRP CG . 34088 2
94 . 1 1 44 44 TRP CD2 C 13 131.133 0.069 . 1 . . 1235 . A 44 TRP CD2 . 34088 2
95 . 1 1 44 44 TRP CZ3 C 13 121.896 0.094 . 1 . . 1237 . A 44 TRP CZ3 . 34088 2
96 . 1 1 45 45 ARG C C 13 175.007 0.137 . 1 . . 764 . A 45 ARG C . 34088 2
97 . 1 1 45 45 ARG CA C 13 56.568 0.117 . 1 . . 815 . A 45 ARG CA . 34088 2
98 . 1 1 45 45 ARG CB C 13 34.876 0.087 . 1 . . 817 . A 45 ARG CB . 34088 2
99 . 1 1 45 45 ARG CG C 13 28.649 0.08 . 1 . . 440 . A 45 ARG CG . 34088 2
100 . 1 1 45 45 ARG CD C 13 44.038 0.11 . 1 . . 441 . A 45 ARG CD . 34088 2
101 . 1 1 45 45 ARG CZ C 13 159.581 0.057 . 1 . . 701 . A 45 ARG CZ . 34088 2
102 . 1 1 45 45 ARG N N 15 121.757 . . 1 . . 1254 . A 45 ARG N . 34088 2
103 . 1 1 46 46 ILE C C 13 173.574 0.13 . 1 . . 497 . A 46 ILE C . 34088 2
104 . 1 1 46 46 ILE CA C 13 60.922 0.109 . 1 . . 193 . A 46 ILE CA . 34088 2
105 . 1 1 46 46 ILE CB C 13 42.331 0.076 . 1 . . 192 . A 46 ILE CB . 34088 2
106 . 1 1 46 46 ILE CG1 C 13 29.517 0.07 . 1 . . 194 . A 46 ILE CG1 . 34088 2
107 . 1 1 46 46 ILE CG2 C 13 19.089 0.06 . 1 . . 195 . A 46 ILE CG2 . 34088 2
108 . 1 1 46 46 ILE CD1 C 13 15.533 0.081 . 1 . . 196 . A 46 ILE CD1 . 34088 2
109 . 1 1 46 46 ILE N N 15 126.953 0.469 . 1 . . 498 . A 46 ILE N . 34088 2
110 . 1 1 47 47 ALA C C 13 175.583 0.134 . 1 . . 505 . A 47 ALA C . 34088 2
111 . 1 1 47 47 ALA CA C 13 51.725 0.128 . 1 . . 278 . A 47 ALA CA . 34088 2
112 . 1 1 47 47 ALA CB C 13 24.090 0.092 . 1 . . 277 . A 47 ALA CB . 34088 2
113 . 1 1 47 47 ALA N N 15 129.250 0.403 . 1 . . 279 . A 47 ALA N . 34088 2
114 . 1 1 48 48 LEU C C 13 176.551 0.043 . 1 . . 84 . A 48 LEU C . 34088 2
115 . 1 1 48 48 LEU CA C 13 54.338 0.091 . 1 . . 126 . A 48 LEU CA . 34088 2
116 . 1 1 48 48 LEU CB C 13 47.176 0.072 . 1 . . 83 . A 48 LEU CB . 34088 2
117 . 1 1 48 48 LEU CG C 13 28.921 0.07 . 1 . . 82 . A 48 LEU CG . 34088 2
118 . 1 1 48 48 LEU CD1 C 13 25.978 . . 1 . . 1269 . A 48 LEU CD1 . 34088 2
119 . 1 1 48 48 LEU N N 15 122.381 0.262 . 1 . . 504 . A 48 LEU N . 34088 2
120 . 1 1 49 49 ALA C C 13 175.469 0.121 . 1 . . 286 . A 49 ALA C . 34088 2
121 . 1 1 49 49 ALA CA C 13 52.291 0.091 . 1 . . 809 . A 49 ALA CA . 34088 2
122 . 1 1 49 49 ALA CB C 13 24.520 0.105 . 1 . . 808 . A 49 ALA CB . 34088 2
123 . 1 1 49 49 ALA N N 15 122.463 0.095 . 1 . . 285 . A 49 ALA N . 34088 2
124 . 1 1 50 50 TYR CA C 13 60.067 0.041 . 1 . . 320 . A 50 TYR CA . 34088 2
125 . 1 1 50 50 TYR CB C 13 42.184 0.084 . 1 . . 319 . A 50 TYR CB . 34088 2
126 . 1 1 50 50 TYR CG C 13 129.073 0.141 . 1 . . 322 . A 50 TYR CG . 34088 2
127 . 1 1 50 50 TYR N N 15 118.271 0.079 . 1 . . 321 . A 50 TYR N . 34088 2
128 . 1 1 51 51 TYR CA C 13 55.394 0.145 . 1 . . 292 . A 51 TYR CA . 34088 2
129 . 1 1 51 51 TYR CB C 13 43.409 0.063 . 1 . . 291 . A 51 TYR CB . 34088 2
130 . 1 1 51 51 TYR CG C 13 128.422 0.163 . 1 . . 294 . A 51 TYR CG . 34088 2
131 . 1 1 51 51 TYR N N 15 128.214 0.146 . 1 . . 293 . A 51 TYR N . 34088 2
132 . 1 1 52 52 GLN CA C 13 54.910 . . 1 . . 1387 . A 52 GLN CA . 34088 2
133 . 1 1 52 52 GLN CB C 13 35.771 . . 1 . . 1386 . A 52 GLN CB . 34088 2
134 . 1 1 67 67 PHE CA C 13 56.328 0.052 . 1 . . 1176 . A 67 PHE CA . 34088 2
135 . 1 1 67 67 PHE CB C 13 42.116 0.0 . 1 . . 299 . A 67 PHE CB . 34088 2
136 . 1 1 67 67 PHE CG C 13 139.114 0.052 . 1 . . 301 . A 67 PHE CG . 34088 2
137 . 1 1 67 67 PHE N N 15 114.055 0.352 . 1 . . 300 . A 67 PHE N . 34088 2
138 . 1 1 68 68 ASP CA C 13 52.192 0.159 . 1 . . 1175 . A 68 ASP CA . 34088 2
139 . 1 1 68 68 ASP CB C 13 42.787 . . 1 . . 1202 . A 68 ASP CB . 34088 2
140 . 1 1 69 69 ARG C C 13 174.450 0.214 . 1 . . 549 . A 69 ARG C . 34088 2
141 . 1 1 69 69 ARG CA C 13 53.755 0.08 . 1 . . 427 . A 69 ARG CA . 34088 2
142 . 1 1 69 69 ARG CB C 13 36.482 0.119 . 1 . . 426 . A 69 ARG CB . 34088 2
143 . 1 1 69 69 ARG CG C 13 26.889 0.046 . 1 . . 429 . A 69 ARG CG . 34088 2
144 . 1 1 69 69 ARG CD C 13 44.810 0.09 . 1 . . 428 . A 69 ARG CD . 34088 2
145 . 1 1 69 69 ARG CZ C 13 159.360 0.435 . 1 . . 1257 . A 69 ARG CZ . 34088 2
146 . 1 1 69 69 ARG N N 15 118.320 . . 1 . . 1255 . A 69 ARG N . 34088 2
147 . 1 1 70 70 PRO C C 13 176.035 . . 1 . . 1179 . A 70 PRO C . 34088 2
148 . 1 1 70 70 PRO CA C 13 63.535 0.093 . 1 . . 53 . A 70 PRO CA . 34088 2
149 . 1 1 70 70 PRO CB C 13 33.794 0.1 . 1 . . 1177 . A 70 PRO CB . 34088 2
150 . 1 1 70 70 PRO CG C 13 28.492 0.092 . 1 . . 487 . A 70 PRO CG . 34088 2
151 . 1 1 70 70 PRO CD C 13 50.827 0.127 . 1 . . 52 . A 70 PRO CD . 34088 2
152 . 1 1 70 70 PRO N N 15 139.695 0.183 . 1 . . 74 . A 70 PRO N . 34088 2
153 . 1 1 71 71 GLU CA C 13 55.276 0.127 . 1 . . 907 . A 71 GLU CA . 34088 2
154 . 1 1 72 72 LEU C C 13 174.726 0.065 . 1 . . 1178 . A 72 LEU C . 34088 2
155 . 1 1 72 72 LEU CA C 13 54.662 0.065 . 1 . . 982 . A 72 LEU CA . 34088 2
156 . 1 1 72 72 LEU CB C 13 47.982 0.193 . 1 . . 119 . A 72 LEU CB . 34088 2
157 . 1 1 72 72 LEU CG C 13 28.431 0.094 . 1 . . 118 . A 72 LEU CG . 34088 2
158 . 1 1 72 72 LEU CD1 C 13 26.398 0.024 . 1 . . 513 . A 72 LEU CD1 . 34088 2
159 . 1 1 73 73 GLU CA C 13 55.864 0.128 . 1 . . 543 . A 73 GLU CA . 34088 2
160 . 1 1 73 73 GLU CG C 13 37.825 0.081 . 1 . . 542 . A 73 GLU CG . 34088 2
161 . 1 1 73 73 GLU N N 15 122.089 0.073 . 1 . . 544 . A 73 GLU N . 34088 2
162 . 1 1 74 74 VAL C C 13 173.634 . . 1 . . 765 . A 74 VAL C . 34088 2
163 . 1 1 74 74 VAL CA C 13 61.046 0.12 . 1 . . 689 . A 74 VAL CA . 34088 2
164 . 1 1 74 74 VAL CB C 13 36.019 0.104 . 1 . . 686 . A 74 VAL CB . 34088 2
165 . 1 1 74 74 VAL CG1 C 13 22.100 0.062 . 1 . . 687 . A 74 VAL CG1 . 34088 2
166 . 1 1 75 75 HIS C C 13 172.716 0.179 . 1 . . 187 . A 75 HIS C . 34088 2
167 . 1 1 75 75 HIS CA C 13 54.586 0.095 . 1 . . 172 . A 75 HIS CA . 34088 2
168 . 1 1 75 75 HIS CB C 13 32.578 0.17 . 1 . . 171 . A 75 HIS CB . 34088 2
169 . 1 1 75 75 HIS CG C 13 130.902 0.168 . 1 . . 173 . A 75 HIS CG . 34088 2
170 . 1 1 75 75 HIS CD2 C 13 122.136 0.129 . 1 . . 175 . A 75 HIS CD2 . 34088 2
171 . 1 1 75 75 HIS CE1 C 13 135.924 0.137 . 1 . . 174 . A 75 HIS CE1 . 34088 2
172 . 1 1 75 75 HIS N N 15 125.234 0.247 . 1 . . 352 . A 75 HIS N . 34088 2
173 . 1 1 75 75 HIS ND1 N 15 178.244 0.247 . 1 . . 356 . A 75 HIS ND1 . 34088 2
174 . 1 1 75 75 HIS NE2 N 15 178.370 . . 1 . . 571 . A 75 HIS NE2 . 34088 2
175 . 1 1 76 76 TYR CA C 13 57.031 0.228 . 1 . . 358 . A 76 TYR CA . 34088 2
176 . 1 1 76 76 TYR CB C 13 42.542 0.194 . 1 . . 357 . A 76 TYR CB . 34088 2
177 . 1 1 76 76 TYR CG C 13 129.788 . . 1 . . 360 . A 76 TYR CG . 34088 2
178 . 1 1 76 76 TYR N N 15 125.748 0.822 . 1 . . 359 . A 76 TYR N . 34088 2
179 . 1 1 77 77 GLN C C 13 173.787 0.05 . 1 . . 873 . A 77 GLN C . 34088 2
180 . 1 1 77 77 GLN CA C 13 54.089 0.075 . 1 . . 785 . A 77 GLN CA . 34088 2
181 . 1 1 77 77 GLN CB C 13 28.896 0.217 . 1 . . 799 . A 77 GLN CB . 34088 2
182 . 1 1 77 77 GLN CG C 13 33.498 0.096 . 1 . . 1103 . A 77 GLN CG . 34088 2
183 . 1 1 77 77 GLN CD C 13 179.656 0.014 . 1 . . 1246 . A 77 GLN CD . 34088 2
184 . 1 1 77 77 GLN N N 15 129.134 0.213 . 1 . . 784 . A 77 GLN N . 34088 2
185 . 1 1 78 78 PHE CA C 13 62.485 0.061 . 1 . . 1126 . A 78 PHE CA . 34088 2
186 . 1 1 78 78 PHE CB C 13 41.225 0.059 . 1 . . 344 . A 78 PHE CB . 34088 2
187 . 1 1 78 78 PHE CG C 13 140.427 0.157 . 1 . . 345 . A 78 PHE CG . 34088 2
188 . 1 1 78 78 PHE N N 15 125.826 0.059 . 1 . . 1127 . A 78 PHE N . 34088 2
189 . 1 1 85 85 SER CA C 13 58.004 0.147 . 1 . . 419 . A 85 SER CA . 34088 2
190 . 1 1 85 85 SER CB C 13 66.738 0.098 . 1 . . 1273 . A 85 SER CB . 34088 2
191 . 1 1 86 86 PHE CA C 13 58.656 0.136 . 1 . . 346 . A 86 PHE CA . 34088 2
192 . 1 1 86 86 PHE CB C 13 45.017 0.051 . 1 . . 1287 . A 86 PHE CB . 34088 2
193 . 1 1 86 86 PHE CG C 13 139.320 0.134 . 1 . . 688 . A 86 PHE CG . 34088 2
194 . 1 1 86 86 PHE CE1 C 13 129.913 0.048 . 1 . . 348 . A 86 PHE CE1 . 34088 2
195 . 1 1 86 86 PHE CE2 C 13 129.913 0.048 . 1 . . 348 . A 86 PHE CE2 . 34088 2
196 . 1 1 86 86 PHE N N 15 121.070 0.101 . 1 . . 347 . A 86 PHE N . 34088 2
197 . 1 1 87 87 GLY C C 13 170.194 0.133 . 1 . . 387 . A 87 GLY C . 34088 2
198 . 1 1 87 87 GLY CA C 13 45.422 0.105 . 1 . . 388 . A 87 GLY CA . 34088 2
199 . 1 1 87 87 GLY N N 15 117.857 . . 1 . . 1113 . A 87 GLY N . 34088 2
200 . 1 1 88 88 LEU C C 13 174.155 0.085 . 1 . . 78 . A 88 LEU C . 34088 2
201 . 1 1 88 88 LEU CA C 13 54.679 0.137 . 1 . . 87 . A 88 LEU CA . 34088 2
202 . 1 1 88 88 LEU CB C 13 49.473 0.079 . 1 . . 77 . A 88 LEU CB . 34088 2
203 . 1 1 88 88 LEU CG C 13 27.609 0.078 . 1 . . 76 . A 88 LEU CG . 34088 2
204 . 1 1 88 88 LEU CD1 C 13 24.086 0.064 . 1 . . 506 . A 88 LEU CD1 . 34088 2
205 . 1 1 88 88 LEU N N 15 116.788 0.146 . 1 . . 522 . A 88 LEU N . 34088 2
206 . 1 1 89 89 THR C C 13 174.559 0.126 . 1 . . 531 . A 89 THR C . 34088 2
207 . 1 1 89 89 THR CA C 13 62.265 0.071 . 1 . . 20 . A 89 THR CA . 34088 2
208 . 1 1 89 89 THR CB C 13 71.379 0.067 . 1 . . 21 . A 89 THR CB . 34088 2
209 . 1 1 89 89 THR CG2 C 13 22.697 0.149 . 1 . . 19 . A 89 THR CG2 . 34088 2
210 . 1 1 89 89 THR N N 15 121.916 0.177 . 1 . . 465 . A 89 THR N . 34088 2
211 . 1 1 90 90 GLY C C 13 172.949 0.107 . 1 . . 528 . A 90 GLY C . 34088 2
212 . 1 1 90 90 GLY CA C 13 44.661 0.111 . 1 . . 529 . A 90 GLY CA . 34088 2
213 . 1 1 90 90 GLY N N 15 113.158 0.044 . 1 . . 530 . A 90 GLY N . 34088 2
214 . 1 1 91 91 GLY C C 13 170.361 0.091 . 1 . . 367 . A 91 GLY C . 34088 2
215 . 1 1 91 91 GLY CA C 13 46.491 0.136 . 1 . . 368 . A 91 GLY CA . 34088 2
216 . 1 1 91 91 GLY N N 15 109.244 0.235 . 1 . . 369 . A 91 GLY N . 34088 2
217 . 1 1 92 92 PHE C C 13 173.190 0.006 . 1 . . 904 . A 92 PHE C . 34088 2
218 . 1 1 92 92 PHE CA C 13 57.247 0.074 . 1 . . 575 . A 92 PHE CA . 34088 2
219 . 1 1 92 92 PHE CB C 13 44.434 0.136 . 1 . . 574 . A 92 PHE CB . 34088 2
220 . 1 1 92 92 PHE CG C 13 138.569 0.112 . 1 . . 577 . A 92 PHE CG . 34088 2
221 . 1 1 92 92 PHE N N 15 120.502 0.161 . 1 . . 576 . A 92 PHE N . 34088 2
222 . 1 1 93 93 ARG C C 13 175.133 0.165 . 1 . . 551 . A 93 ARG C . 34088 2
223 . 1 1 93 93 ARG CA C 13 54.505 0.095 . 1 . . 435 . A 93 ARG CA . 34088 2
224 . 1 1 93 93 ARG CB C 13 37.322 0.101 . 1 . . 434 . A 93 ARG CB . 34088 2
225 . 1 1 93 93 ARG CG C 13 26.552 0.004 . 1 . . 437 . A 93 ARG CG . 34088 2
226 . 1 1 93 93 ARG CD C 13 44.115 0.105 . 1 . . 436 . A 93 ARG CD . 34088 2
227 . 1 1 93 93 ARG CZ C 13 159.214 0.038 . 1 . . 1259 . A 93 ARG CZ . 34088 2
228 . 1 1 93 93 ARG N N 15 123.133 0.314 . 1 . . 903 . A 93 ARG N . 34088 2
229 . 1 1 94 94 ASN N N 15 118.062 . . 1 . . 826 . A 94 ASN N . 34088 2
230 . 1 1 95 95 TYR CA C 13 56.913 0.134 . 1 . . 857 . A 95 TYR CA . 34088 2
231 . 1 1 95 95 TYR CB C 13 39.136 0.06 . 1 . . 309 . A 95 TYR CB . 34088 2
232 . 1 1 95 95 TYR CG C 13 133.594 0.112 . 1 . . 1247 . A 95 TYR CG . 34088 2
233 . 1 1 95 95 TYR N N 15 122.822 0.053 . 1 . . 310 . A 95 TYR N . 34088 2
234 . 1 1 96 96 GLY C C 13 172.045 0.066 . 1 . . 581 . A 96 GLY C . 34088 2
235 . 1 1 96 96 GLY CA C 13 46.062 0.095 . 1 . . 582 . A 96 GLY CA . 34088 2
236 . 1 1 96 96 GLY N N 15 112.291 0.258 . 1 . . 1116 . A 96 GLY N . 34088 2
237 . 1 1 97 97 TYR CA C 13 59.470 0.112 . 1 . . 327 . A 97 TYR CA . 34088 2
238 . 1 1 97 97 TYR CB C 13 42.455 0.105 . 1 . . 328 . A 97 TYR CB . 34088 2
239 . 1 1 97 97 TYR CG C 13 130.898 0.138 . 1 . . 329 . A 97 TYR CG . 34088 2
240 . 1 1 97 97 TYR N N 15 122.205 0.173 . 1 . . 1121 . A 97 TYR N . 34088 2
241 . 1 1 106 106 ASP CA C 13 56.317 0.208 . 1 . . 679 . A 106 ASP CA . 34088 2
242 . 1 1 106 106 ASP CB C 13 42.643 0.126 . 1 . . 675 . A 106 ASP CB . 34088 2
243 . 1 1 106 106 ASP CG C 13 180.426 0.165 . 1 . . 676 . A 106 ASP CG . 34088 2
244 . 1 1 107 107 THR C C 13 174.515 0.142 . 1 . . 479 . A 107 THR C . 34088 2
245 . 1 1 107 107 THR CA C 13 60.149 0.19 . 1 . . 43 . A 107 THR CA . 34088 2
246 . 1 1 107 107 THR CB C 13 73.594 0.09 . 1 . . 44 . A 107 THR CB . 34088 2
247 . 1 1 107 107 THR CG2 C 13 22.374 0.085 . 1 . . 45 . A 107 THR CG2 . 34088 2
248 . 1 1 108 108 ALA C C 13 175.771 0.207 . 1 . . 284 . A 108 ALA C . 34088 2
249 . 1 1 108 108 ALA CA C 13 52.187 0.167 . 1 . . 282 . A 108 ALA CA . 34088 2
250 . 1 1 108 108 ALA CB C 13 24.206 0.115 . 1 . . 281 . A 108 ALA CB . 34088 2
251 . 1 1 108 108 ALA N N 15 120.413 0.28 . 1 . . 283 . A 108 ALA N . 34088 2
252 . 1 1 109 109 ASN C C 13 171.965 0.139 . 1 . . 1136 . A 109 ASN C . 34088 2
253 . 1 1 109 109 ASN CA C 13 54.405 0.05 . 1 . . 841 . A 109 ASN CA . 34088 2
254 . 1 1 109 109 ASN CB C 13 42.669 0.14 . 1 . . 590 . A 109 ASN CB . 34088 2
255 . 1 1 109 109 ASN N N 15 121.072 . . 1 . . 840 . A 109 ASN N . 34088 2
256 . 1 1 110 110 MET C C 13 175.708 0.041 . 1 . . 1135 . A 110 MET C . 34088 2
257 . 1 1 110 110 MET CA C 13 53.531 0.101 . 1 . . 802 . A 110 MET CA . 34088 2
258 . 1 1 110 110 MET CB C 13 37.357 0.148 . 1 . . 804 . A 110 MET CB . 34088 2
259 . 1 1 110 110 MET CG C 13 31.379 0.065 . 1 . . 71 . A 110 MET CG . 34088 2
260 . 1 1 110 110 MET CE C 13 14.439 0.069 . 1 . . 72 . A 110 MET CE . 34088 2
261 . 1 1 110 110 MET N N 15 125.860 0.051 . 1 . . 547 . A 110 MET N . 34088 2
262 . 1 1 111 111 GLN CA C 13 56.869 0.092 . 1 . . 796 . A 111 GLN CA . 34088 2
263 . 1 1 111 111 GLN CB C 13 30.889 0.003 . 1 . . 798 . A 111 GLN CB . 34088 2
264 . 1 1 111 111 GLN CG C 13 36.838 . . 1 . . 661 . A 111 GLN CG . 34088 2
265 . 1 1 112 112 ARG C C 13 175.048 . . 1 . . 1141 . A 112 ARG C . 34088 2
266 . 1 1 112 112 ARG CA C 13 54.842 0.095 . 1 . . 1134 . A 112 ARG CA . 34088 2
267 . 1 1 112 112 ARG CB C 13 37.055 0.075 . 1 . . 1016 . A 112 ARG CB . 34088 2
268 . 1 1 112 112 ARG CG C 13 26.991 0.024 . 1 . . 439 . A 112 ARG CG . 34088 2
269 . 1 1 112 112 ARG CD C 13 44.764 0.034 . 1 . . 438 . A 112 ARG CD . 34088 2
270 . 1 1 112 112 ARG CZ C 13 159.766 . . 1 . . 1260 . A 112 ARG CZ . 34088 2
271 . 1 1 113 113 TRP C C 13 175.510 0.046 . 1 . . 189 . A 113 TRP C . 34088 2
272 . 1 1 113 113 TRP CA C 13 56.156 0.069 . 1 . . 143 . A 113 TRP CA . 34088 2
273 . 1 1 113 113 TRP CB C 13 32.222 0.071 . 1 . . 142 . A 113 TRP CB . 34088 2
274 . 1 1 113 113 TRP CG C 13 112.196 0.11 . 1 . . 144 . A 113 TRP CG . 34088 2
275 . 1 1 113 113 TRP CD2 C 13 130.165 0.101 . 1 . . 1108 . A 113 TRP CD2 . 34088 2
276 . 1 1 113 113 TRP CZ3 C 13 121.528 0.116 . 1 . . 1238 . A 113 TRP CZ3 . 34088 2
277 . 1 1 113 113 TRP N N 15 132.467 . . 1 . . 759 . A 113 TRP N . 34088 2
278 . 1 1 114 114 LYS CA C 13 55.310 0.143 . 1 . . 1142 . A 114 LYS CA . 34088 2
279 . 1 1 114 114 LYS CB C 13 40.266 0.056 . 1 . . 1054 . A 114 LYS CB . 34088 2
280 . 1 1 114 114 LYS CG C 13 25.922 0.039 . 1 . . 219 . A 114 LYS CG . 34088 2
281 . 1 1 114 114 LYS CD C 13 32.310 0.041 . 1 . . 241 . A 114 LYS CD . 34088 2
282 . 1 1 114 114 LYS CE C 13 42.486 0.08 . 1 . . 233 . A 114 LYS CE . 34088 2
283 . 1 1 115 115 ILE C C 13 174.835 0.215 . 1 . . 503 . A 115 ILE C . 34088 2
284 . 1 1 115 115 ILE CA C 13 59.808 0.216 . 1 . . 1051 . A 115 ILE CA . 34088 2
285 . 1 1 115 115 ILE CB C 13 42.383 0.087 . 1 . . 199 . A 115 ILE CB . 34088 2
286 . 1 1 115 115 ILE CG1 C 13 29.506 0.073 . 1 . . 198 . A 115 ILE CG1 . 34088 2
287 . 1 1 115 115 ILE CG2 C 13 18.417 0.129 . 1 . . 200 . A 115 ILE CG2 . 34088 2
288 . 1 1 115 115 ILE CD1 C 13 14.592 0.053 . 1 . . 197 . A 115 ILE CD1 . 34088 2
289 . 1 1 115 115 ILE N N 15 123.955 0.128 . 1 . . 632 . A 115 ILE N . 34088 2
290 . 1 1 116 116 ALA C C 13 176.798 0.109 . 1 . . 268 . A 116 ALA C . 34088 2
291 . 1 1 116 116 ALA CA C 13 50.437 0.067 . 1 . . 255 . A 116 ALA CA . 34088 2
292 . 1 1 116 116 ALA CB C 13 24.668 0.111 . 1 . . 254 . A 116 ALA CB . 34088 2
293 . 1 1 116 116 ALA N N 15 125.764 0.647 . 1 . . 264 . A 116 ALA N . 34088 2
294 . 1 1 117 117 PRO C C 13 176.394 0.134 . 1 . . 704 . A 117 PRO C . 34088 2
295 . 1 1 117 117 PRO CA C 13 62.831 0.06 . 1 . . 62 . A 117 PRO CA . 34088 2
296 . 1 1 117 117 PRO CB C 13 34.767 0.108 . 1 . . 60 . A 117 PRO CB . 34088 2
297 . 1 1 117 117 PRO CG C 13 28.246 0.035 . 1 . . 646 . A 117 PRO CG . 34088 2
298 . 1 1 117 117 PRO CD C 13 51.342 0.094 . 1 . . 61 . A 117 PRO CD . 34088 2
299 . 1 1 117 117 PRO N N 15 143.542 0.047 . 1 . . 502 . A 117 PRO N . 34088 2
300 . 1 1 118 118 ASP C C 13 173.926 0.104 . 1 . . 665 . A 118 ASP C . 34088 2
301 . 1 1 118 118 ASP CA C 13 54.050 0.063 . 1 . . 663 . A 118 ASP CA . 34088 2
302 . 1 1 118 118 ASP CB C 13 45.175 0.152 . 1 . . 662 . A 118 ASP CB . 34088 2
303 . 1 1 118 118 ASP CG C 13 180.788 0.138 . 1 . . 664 . A 118 ASP CG . 34088 2
304 . 1 1 118 118 ASP N N 15 116.662 0.198 . 1 . . 699 . A 118 ASP N . 34088 2
305 . 1 1 119 119 TRP C C 13 175.382 0.068 . 1 . . 191 . A 119 TRP C . 34088 2
306 . 1 1 119 119 TRP CA C 13 57.542 0.111 . 1 . . 151 . A 119 TRP CA . 34088 2
307 . 1 1 119 119 TRP CB C 13 33.712 0.093 . 1 . . 150 . A 119 TRP CB . 34088 2
308 . 1 1 119 119 TRP CG C 13 112.923 0.029 . 1 . . 153 . A 119 TRP CG . 34088 2
309 . 1 1 119 119 TRP CD1 C 13 124.867 0.069 . 1 . . 350 . A 119 TRP CD1 . 34088 2
310 . 1 1 119 119 TRP N N 15 114.813 . . 1 . . 929 . A 119 TRP N . 34088 2
311 . 1 1 120 120 ASP CA C 13 55.293 0.101 . 1 . . 1203 . A 120 ASP CA . 34088 2
312 . 1 1 120 120 ASP CB C 13 44.372 0.147 . 1 . . 1037 . A 120 ASP CB . 34088 2
313 . 1 1 121 121 VAL CA C 13 61.309 0.067 . 1 . . 1206 . A 121 VAL CA . 34088 2
314 . 1 1 121 121 VAL CB C 13 36.200 0.075 . 1 . . 1207 . A 121 VAL CB . 34088 2
315 . 1 1 122 122 LYS CA C 13 58.824 0.037 . 1 . . 782 . A 122 LYS CA . 34088 2
316 . 1 1 122 122 LYS CB C 13 34.785 0.093 . 1 . . 235 . A 122 LYS CB . 34088 2
317 . 1 1 122 122 LYS CG C 13 25.995 0.057 . 1 . . 224 . A 122 LYS CG . 34088 2
318 . 1 1 122 122 LYS CD C 13 30.158 0.066 . 1 . . 236 . A 122 LYS CD . 34088 2
319 . 1 1 122 122 LYS CE C 13 42.833 0.036 . 1 . . 234 . A 122 LYS CE . 34088 2
320 . 1 1 123 123 LEU C C 13 177.622 0.123 . 1 . . 93 . A 123 LEU C . 34088 2
321 . 1 1 123 123 LEU CA C 13 56.374 0.078 . 1 . . 98 . A 123 LEU CA . 34088 2
322 . 1 1 123 123 LEU CB C 13 42.267 0.083 . 1 . . 92 . A 123 LEU CB . 34088 2
323 . 1 1 123 123 LEU CG C 13 26.861 0.059 . 1 . . 91 . A 123 LEU CG . 34088 2
324 . 1 1 123 123 LEU CD1 C 13 21.174 0.069 . 1 . . 507 . A 123 LEU CD1 . 34088 2
325 . 1 1 123 123 LEU N N 15 124.874 0.151 . 1 . . 532 . A 123 LEU N . 34088 2
326 . 1 1 124 124 THR C C 13 172.874 0.143 . 1 . . 480 . A 124 THR C . 34088 2
327 . 1 1 124 124 THR CA C 13 59.745 0.143 . 1 . . 40 . A 124 THR CA . 34088 2
328 . 1 1 124 124 THR CB C 13 72.270 0.153 . 1 . . 41 . A 124 THR CB . 34088 2
329 . 1 1 124 124 THR CG2 C 13 22.556 0.15 . 1 . . 42 . A 124 THR CG2 . 34088 2
330 . 1 1 124 124 THR N N 15 109.059 0.471 . 1 . . 460 . A 124 THR N . 34088 2
331 . 1 1 125 125 ASP CA C 13 58.081 0.114 . 1 . . 695 . A 125 ASP CA . 34088 2
332 . 1 1 125 125 ASP CB C 13 41.184 0.146 . 1 . . 684 . A 125 ASP CB . 34088 2
333 . 1 1 125 125 ASP CG C 13 180.079 0.057 . 1 . . 1265 . A 125 ASP CG . 34088 2
334 . 1 1 126 126 ASP CA C 13 54.364 . . 1 . . 1279 . A 126 ASP CA . 34088 2
335 . 1 1 126 126 ASP CB C 13 44.114 . . 1 . . 1280 . A 126 ASP CB . 34088 2
336 . 1 1 127 127 LEU C C 13 175.167 0.109 . 1 . . 131 . A 127 LEU C . 34088 2
337 . 1 1 127 127 LEU CA C 13 54.401 0.082 . 1 . . 124 . A 127 LEU CA . 34088 2
338 . 1 1 127 127 LEU CB C 13 46.711 0.075 . 1 . . 111 . A 127 LEU CB . 34088 2
339 . 1 1 127 127 LEU CG C 13 27.864 0.066 . 1 . . 110 . A 127 LEU CG . 34088 2
340 . 1 1 127 127 LEU CD1 C 13 25.141 0.165 . 1 . . 510 . A 127 LEU CD1 . 34088 2
341 . 1 1 128 128 ARG C C 13 174.652 . . 1 . . 1256 . A 128 ARG C . 34088 2
342 . 1 1 128 128 ARG CA C 13 54.882 0.056 . 1 . . 932 . A 128 ARG CA . 34088 2
343 . 1 1 128 128 ARG CB C 13 34.773 0.183 . 1 . . 931 . A 128 ARG CB . 34088 2
344 . 1 1 128 128 ARG CZ C 13 159.795 . . 1 . . 1262 . A 128 ARG CZ . 34088 2
345 . 1 1 129 129 PHE C C 13 173.788 . . 1 . . 933 . A 129 PHE C . 34088 2
346 . 1 1 129 129 PHE CA C 13 54.599 0.101 . 1 . . 930 . A 129 PHE CA . 34088 2
347 . 1 1 129 129 PHE CB C 13 42.388 0.023 . 1 . . 288 . A 129 PHE CB . 34088 2
348 . 1 1 129 129 PHE CG C 13 139.309 0.053 . 1 . . 290 . A 129 PHE CG . 34088 2
349 . 1 1 129 129 PHE N N 15 121.568 0.269 . 1 . . 289 . A 129 PHE N . 34088 2
350 . 1 1 130 130 ASN C C 13 173.981 0.165 . 1 . . 877 . A 130 ASN C . 34088 2
351 . 1 1 130 130 ASN CA C 13 51.172 0.08 . 1 . . 878 . A 130 ASN CA . 34088 2
352 . 1 1 130 130 ASN CB C 13 42.575 0.115 . 1 . . 876 . A 130 ASN CB . 34088 2
353 . 1 1 131 131 GLY C C 13 169.120 0.134 . 1 . . 871 . A 131 GLY C . 34088 2
354 . 1 1 131 131 GLY CA C 13 45.771 0.162 . 1 . . 835 . A 131 GLY CA . 34088 2
355 . 1 1 132 132 TRP C C 13 175.163 0.043 . 1 . . 188 . A 132 TRP C . 34088 2
356 . 1 1 132 132 TRP CA C 13 55.054 0.064 . 1 . . 137 . A 132 TRP CA . 34088 2
357 . 1 1 132 132 TRP CB C 13 32.142 0.13 . 1 . . 136 . A 132 TRP CB . 34088 2
358 . 1 1 132 132 TRP CG C 13 110.770 0.089 . 1 . . 138 . A 132 TRP CG . 34088 2
359 . 1 1 132 132 TRP CD2 C 13 130.180 0.028 . 1 . . 1107 . A 132 TRP CD2 . 34088 2
360 . 1 1 132 132 TRP CE3 C 13 120.578 0.151 . 1 . . 1105 . A 132 TRP CE3 . 34088 2
361 . 1 1 132 132 TRP CZ3 C 13 121.412 0.116 . 1 . . 1239 . A 132 TRP CZ3 . 34088 2
362 . 1 1 132 132 TRP N N 15 113.331 . . 1 . . 745 . A 132 TRP N . 34088 2
363 . 1 1 133 133 LEU C C 13 173.558 0.071 . 1 . . 918 . A 133 LEU C . 34088 2
364 . 1 1 133 133 LEU CA C 13 55.372 0.021 . 1 . . 917 . A 133 LEU CA . 34088 2
365 . 1 1 133 133 LEU CB C 13 45.977 0.092 . 1 . . 915 . A 133 LEU CB . 34088 2
366 . 1 1 133 133 LEU CG C 13 28.414 0.089 . 1 . . 106 . A 133 LEU CG . 34088 2
367 . 1 1 133 133 LEU CD1 C 13 26.380 0.01 . 2 . . 508 . A 133 LEU CD1 . 34088 2
368 . 1 1 133 133 LEU CD2 C 13 26.583 0.111 . 2 . . 1104 . A 133 LEU CD2 . 34088 2
369 . 1 1 133 133 LEU N N 15 124.161 . . 1 . . 536 . A 133 LEU N . 34088 2
370 . 1 1 134 134 SER CA C 13 57.076 0.119 . 1 . . 414 . A 134 SER CA . 34088 2
371 . 1 1 134 134 SER CB C 13 67.626 0.163 . 1 . . 825 . A 134 SER CB . 34088 2
372 . 1 1 134 134 SER N N 15 119.105 . . 1 . . 415 . A 134 SER N . 34088 2
373 . 1 1 135 135 MET CA C 13 54.340 0.152 . 1 . . 1118 . A 135 MET CA . 34088 2
374 . 1 1 135 135 MET CG C 13 33.288 0.171 . 1 . . 1384 . A 135 MET CG . 34088 2
375 . 1 1 135 135 MET CE C 13 17.211 . . 1 . . 1383 . A 135 MET CE . 34088 2
376 . 1 1 136 136 TYR CA C 13 54.657 0.093 . 1 . . 1151 . A 136 TYR CA . 34088 2
377 . 1 1 136 136 TYR CB C 13 42.379 0.016 . 1 . . 1021 . A 136 TYR CB . 34088 2
378 . 1 1 136 136 TYR CG C 13 130.768 0.047 . 1 . . 287 . A 136 TYR CG . 34088 2
379 . 1 1 136 136 TYR N N 15 119.116 0.403 . 1 . . 1020 . A 136 TYR N . 34088 2
380 . 1 1 137 137 LYS CA C 13 53.081 0.123 . 1 . . 223 . A 137 LYS CA . 34088 2
381 . 1 1 137 137 LYS CB C 13 35.697 0.067 . 1 . . 237 . A 137 LYS CB . 34088 2
382 . 1 1 137 137 LYS CG C 13 24.581 0.078 . 1 . . 222 . A 137 LYS CG . 34088 2
383 . 1 1 137 137 LYS CD C 13 29.743 . . 1 . . 238 . A 137 LYS CD . 34088 2
384 . 1 1 137 137 LYS CE C 13 42.430 0.056 . 1 . . 229 . A 137 LYS CE . 34088 2
385 . 1 1 138 138 PHE CA C 13 57.037 0.048 . 1 . . 1152 . A 138 PHE CA . 34088 2
386 . 1 1 138 138 PHE CB C 13 43.010 0.043 . 1 . . 1143 . A 138 PHE CB . 34088 2
387 . 1 1 138 138 PHE CG C 13 141.859 0.117 . 1 . . 1229 . A 138 PHE CG . 34088 2
388 . 1 1 138 138 PHE N N 15 124.376 0.079 . 1 . . 1153 . A 138 PHE N . 34088 2
389 . 1 1 139 139 ALA C C 13 175.477 0.148 . 1 . . 1139 . A 139 ALA C . 34088 2
390 . 1 1 139 139 ALA CA C 13 52.340 0.188 . 1 . . 1137 . A 139 ALA CA . 34088 2
391 . 1 1 139 139 ALA CB C 13 24.250 0.096 . 1 . . 1138 . A 139 ALA CB . 34088 2
392 . 1 1 139 139 ALA N N 15 122.472 0.108 . 1 . . 1119 . A 139 ALA N . 34088 2
393 . 1 1 140 140 ASN C C 13 172.605 0.126 . 1 . . 1155 . A 140 ASN C . 34088 2
394 . 1 1 140 140 ASN CA C 13 57.562 0.134 . 1 . . 643 . A 140 ASN CA . 34088 2
395 . 1 1 140 140 ASN CB C 13 39.180 0.087 . 1 . . 642 . A 140 ASN CB . 34088 2
396 . 1 1 140 140 ASN CG C 13 179.155 0.083 . 1 . . 645 . A 140 ASN CG . 34088 2
397 . 1 1 140 140 ASN N N 15 111.346 0.302 . 1 . . 644 . A 140 ASN N . 34088 2
398 . 1 1 141 141 ASP C C 13 177.664 0.102 . 1 . . 770 . A 141 ASP C . 34088 2
399 . 1 1 141 141 ASP CA C 13 56.226 0.159 . 1 . . 888 . A 141 ASP CA . 34088 2
400 . 1 1 141 141 ASP CB C 13 39.528 0.209 . 1 . . 1234 . A 141 ASP CB . 34088 2
401 . 1 1 142 142 LEU C C 13 181.344 0.138 . 1 . . 90 . A 142 LEU C . 34088 2
402 . 1 1 142 142 LEU CA C 13 58.050 0.084 . 1 . . 97 . A 142 LEU CA . 34088 2
403 . 1 1 142 142 LEU CB C 13 40.533 0.054 . 1 . . 89 . A 142 LEU CB . 34088 2
404 . 1 1 142 142 LEU CG C 13 27.422 0.057 . 1 . . 88 . A 142 LEU CG . 34088 2
405 . 1 1 142 142 LEU CD1 C 13 26.246 0.097 . 2 . . 476 . A 142 LEU CD1 . 34088 2
406 . 1 1 142 142 LEU CD2 C 13 23.548 0.078 . 2 . . 477 . A 142 LEU CD2 . 34088 2
407 . 1 1 142 142 LEU N N 15 116.424 0.459 . 1 . . 478 . A 142 LEU N . 34088 2
408 . 1 1 143 143 ASN C C 13 177.101 0.144 . 1 . . 475 . A 143 ASN C . 34088 2
409 . 1 1 143 143 ASN CA C 13 55.730 0.084 . 1 . . 473 . A 143 ASN CA . 34088 2
410 . 1 1 143 143 ASN CB C 13 37.508 0.109 . 1 . . 472 . A 143 ASN CB . 34088 2
411 . 1 1 143 143 ASN N N 15 115.754 0.231 . 1 . . 474 . A 143 ASN N . 34088 2
412 . 1 1 144 144 THR C C 13 175.196 0.093 . 1 . . 471 . A 144 THR C . 34088 2
413 . 1 1 144 144 THR CA C 13 65.722 0.068 . 1 . . 1 . A 144 THR CA . 34088 2
414 . 1 1 144 144 THR CB C 13 69.243 0.075 . 1 . . 2 . A 144 THR CB . 34088 2
415 . 1 1 144 144 THR CG2 C 13 23.572 0.098 . 1 . . 3 . A 144 THR CG2 . 34088 2
416 . 1 1 144 144 THR N N 15 116.172 0.214 . 1 . . 463 . A 144 THR N . 34088 2
417 . 1 1 145 145 THR C C 13 177.402 0.203 . 1 . . 483 . A 145 THR C . 34088 2
418 . 1 1 145 145 THR CA C 13 62.889 0.088 . 1 . . 13 . A 145 THR CA . 34088 2
419 . 1 1 145 145 THR CB C 13 69.869 0.163 . 1 . . 14 . A 145 THR CB . 34088 2
420 . 1 1 145 145 THR CG2 C 13 22.838 0.176 . 1 . . 15 . A 145 THR CG2 . 34088 2
421 . 1 1 145 145 THR N N 15 109.986 0.231 . 1 . . 464 . A 145 THR N . 34088 2
422 . 1 1 146 146 GLY C C 13 174.118 0.214 . 1 . . 375 . A 146 GLY C . 34088 2
423 . 1 1 146 146 GLY CA C 13 46.179 0.101 . 1 . . 376 . A 146 GLY CA . 34088 2
424 . 1 1 146 146 GLY N N 15 108.629 0.457 . 1 . . 377 . A 146 GLY N . 34088 2
425 . 1 1 147 147 TYR CA C 13 58.401 0.097 . 1 . . 584 . A 147 TYR CA . 34088 2
426 . 1 1 147 147 TYR CB C 13 39.349 0.147 . 1 . . 583 . A 147 TYR CB . 34088 2
427 . 1 1 147 147 TYR CG C 13 130.745 0.086 . 1 . . 690 . A 147 TYR CG . 34088 2
428 . 1 1 147 147 TYR N N 15 120.466 0.105 . 1 . . 585 . A 147 TYR N . 34088 2
429 . 1 1 148 148 ALA C C 13 179.016 0.085 . 1 . . 280 . A 148 ALA C . 34088 2
430 . 1 1 148 148 ALA CA C 13 51.362 0.115 . 1 . . 247 . A 148 ALA CA . 34088 2
431 . 1 1 148 148 ALA CB C 13 18.389 0.112 . 1 . . 246 . A 148 ALA CB . 34088 2
432 . 1 1 148 148 ALA N N 15 122.945 0.567 . 1 . . 553 . A 148 ALA N . 34088 2
433 . 1 1 149 149 ASP C C 13 176.721 0.134 . 1 . . 767 . A 149 ASP C . 34088 2
434 . 1 1 149 149 ASP CA C 13 56.890 0.112 . 1 . . 555 . A 149 ASP CA . 34088 2
435 . 1 1 149 149 ASP CB C 13 42.220 0.191 . 1 . . 554 . A 149 ASP CB . 34088 2
436 . 1 1 149 149 ASP CG C 13 180.834 0.118 . 1 . . 691 . A 149 ASP CG . 34088 2
437 . 1 1 149 149 ASP N N 15 115.774 0.354 . 1 . . 556 . A 149 ASP N . 34088 2
438 . 1 1 150 150 THR C C 13 172.763 0.125 . 1 . . 603 . A 150 THR C . 34088 2
439 . 1 1 150 150 THR CA C 13 62.474 0.107 . 1 . . 22 . A 150 THR CA . 34088 2
440 . 1 1 150 150 THR CB C 13 71.420 0.098 . 1 . . 23 . A 150 THR CB . 34088 2
441 . 1 1 150 150 THR CG2 C 13 23.576 0.169 . 1 . . 24 . A 150 THR CG2 . 34088 2
442 . 1 1 150 150 THR N N 15 118.085 0.2 . 1 . . 461 . A 150 THR N . 34088 2
443 . 1 1 151 151 ARG C C 13 174.376 0.094 . 1 . . 552 . A 151 ARG C . 34088 2
444 . 1 1 151 151 ARG CA C 13 55.037 0.107 . 1 . . 812 . A 151 ARG CA . 34088 2
445 . 1 1 151 151 ARG CB C 13 32.080 0.2 . 1 . . 457 . A 151 ARG CB . 34088 2
446 . 1 1 151 151 ARG CG C 13 26.737 0.11 . 1 . . 459 . A 151 ARG CG . 34088 2
447 . 1 1 151 151 ARG CD C 13 44.040 0.139 . 1 . . 458 . A 151 ARG CD . 34088 2
448 . 1 1 151 151 ARG CZ C 13 159.736 0.008 . 1 . . 1261 . A 151 ARG CZ . 34088 2
449 . 1 1 151 151 ARG N N 15 124.033 . . 1 . . 811 . A 151 ARG N . 34088 2
450 . 1 1 152 152 VAL C C 13 173.189 . . 1 . . 964 . A 152 VAL C . 34088 2
451 . 1 1 152 152 VAL CA C 13 59.850 0.171 . 1 . . 1217 . A 152 VAL CA . 34088 2
452 . 1 1 152 152 VAL CB C 13 35.820 0.192 . 1 . . 977 . A 152 VAL CB . 34088 2
453 . 1 1 153 153 GLU C C 13 173.561 0.082 . 1 . . 775 . A 153 GLU C . 34088 2
454 . 1 1 153 153 GLU CA C 13 54.057 0.148 . 1 . . 666 . A 153 GLU CA . 34088 2
455 . 1 1 153 153 GLU CB C 13 36.297 0.224 . 1 . . 621 . A 153 GLU CB . 34088 2
456 . 1 1 153 153 GLU CG C 13 36.923 0.093 . 1 . . 677 . A 153 GLU CG . 34088 2
457 . 1 1 153 153 GLU CD C 13 183.768 0.045 . 1 . . 1240 . A 153 GLU CD . 34088 2
458 . 1 1 153 153 GLU N N 15 127.797 . . 1 . . 962 . A 153 GLU N . 34088 2
459 . 1 1 154 154 THR C C 13 169.317 0.118 . 1 . . 481 . A 154 THR C . 34088 2
460 . 1 1 154 154 THR CA C 13 60.055 0.097 . 1 . . 28 . A 154 THR CA . 34088 2
461 . 1 1 154 154 THR CB C 13 70.106 0.104 . 1 . . 29 . A 154 THR CB . 34088 2
462 . 1 1 154 154 THR CG2 C 13 19.090 0.155 . 1 . . 30 . A 154 THR CG2 . 34088 2
463 . 1 1 154 154 THR N N 15 122.217 0.206 . 1 . . 469 . A 154 THR N . 34088 2
464 . 1 1 155 155 GLU C C 13 176.169 0.228 . 1 . . 870 . A 155 GLU C . 34088 2
465 . 1 1 155 155 GLU CA C 13 56.159 0.12 . 1 . . 619 . A 155 GLU CA . 34088 2
466 . 1 1 155 155 GLU CB C 13 31.316 0.113 . 1 . . 678 . A 155 GLU CB . 34088 2
467 . 1 1 155 155 GLU CG C 13 37.020 0.133 . 1 . . 618 . A 155 GLU CG . 34088 2
468 . 1 1 155 155 GLU CD C 13 182.221 0.168 . 1 . . 698 . A 155 GLU CD . 34088 2
469 . 1 1 155 155 GLU N N 15 123.606 0.427 . 1 . . 620 . A 155 GLU N . 34088 2
470 . 1 1 156 156 THR C C 13 171.799 0.094 . 1 . . 482 . A 156 THR C . 34088 2
471 . 1 1 156 156 THR CA C 13 60.125 0.099 . 1 . . 33 . A 156 THR CA . 34088 2
472 . 1 1 156 156 THR CB C 13 70.830 0.161 . 1 . . 32 . A 156 THR CB . 34088 2
473 . 1 1 156 156 THR CG2 C 13 20.650 0.106 . 1 . . 31 . A 156 THR CG2 . 34088 2
474 . 1 1 156 156 THR N N 15 123.494 . . 1 . . 468 . A 156 THR N . 34088 2
475 . 1 1 157 157 GLY C C 13 172.063 0.108 . 1 . . 361 . A 157 GLY C . 34088 2
476 . 1 1 157 157 GLY CA C 13 48.051 0.096 . 1 . . 362 . A 157 GLY CA . 34088 2
477 . 1 1 157 157 GLY N N 15 113.547 0.142 . 1 . . 363 . A 157 GLY N . 34088 2
478 . 1 1 158 158 LEU C C 13 175.952 0.118 . 1 . . 134 . A 158 LEU C . 34088 2
479 . 1 1 158 158 LEU CA C 13 52.933 0.125 . 1 . . 125 . A 158 LEU CA . 34088 2
480 . 1 1 158 158 LEU CB C 13 46.853 0.134 . 1 . . 113 . A 158 LEU CB . 34088 2
481 . 1 1 158 158 LEU CG C 13 27.951 0.08 . 1 . . 112 . A 158 LEU CG . 34088 2
482 . 1 1 158 158 LEU CD1 C 13 24.326 0.09 . 1 . . 511 . A 158 LEU CD1 . 34088 2
483 . 1 1 158 158 LEU N N 15 117.779 0.394 . 1 . . 490 . A 158 LEU N . 34088 2
484 . 1 1 159 159 GLN C C 13 174.788 0.124 . 1 . . 772 . A 159 GLN C . 34088 2
485 . 1 1 159 159 GLN CA C 13 54.232 0.105 . 1 . . 652 . A 159 GLN CA . 34088 2
486 . 1 1 159 159 GLN CB C 13 33.370 0.145 . 1 . . 653 . A 159 GLN CB . 34088 2
487 . 1 1 160 160 TYR C C 13 174.472 . . 1 . . 909 . A 160 TYR C . 34088 2
488 . 1 1 160 160 TYR CA C 13 56.643 0.059 . 1 . . 339 . A 160 TYR CA . 34088 2
489 . 1 1 160 160 TYR CB C 13 42.428 0.111 . 1 . . 338 . A 160 TYR CB . 34088 2
490 . 1 1 160 160 TYR CG C 13 128.863 0.123 . 1 . . 341 . A 160 TYR CG . 34088 2
491 . 1 1 160 160 TYR CE1 C 13 118.273 0.095 . 1 . . 1241 . A 160 TYR CE1 . 34088 2
492 . 1 1 160 160 TYR CE2 C 13 118.273 0.095 . 1 . . 1241 . A 160 TYR CE2 . 34088 2
493 . 1 1 160 160 TYR N N 15 131.117 0.134 . 1 . . 340 . A 160 TYR N . 34088 2
494 . 1 1 161 161 THR C C 13 174.113 0.082 . 1 . . 570 . A 161 THR C . 34088 2
495 . 1 1 161 161 THR CA C 13 63.238 0.12 . 1 . . 11 . A 161 THR CA . 34088 2
496 . 1 1 161 161 THR CB C 13 70.091 0.082 . 1 . . 12 . A 161 THR CB . 34088 2
497 . 1 1 161 161 THR CG2 C 13 22.156 0.081 . 1 . . 10 . A 161 THR CG2 . 34088 2
498 . 1 1 161 161 THR N N 15 125.224 0.394 . 1 . . 462 . A 161 THR N . 34088 2
499 . 1 1 162 162 PHE C C 13 176.248 0.161 . 1 . . 616 . A 162 PHE C . 34088 2
500 . 1 1 162 162 PHE CA C 13 61.400 0.076 . 1 . . 335 . A 162 PHE CA . 34088 2
501 . 1 1 162 162 PHE CB C 13 39.550 0.229 . 1 . . 334 . A 162 PHE CB . 34088 2
502 . 1 1 162 162 PHE CG C 13 140.971 0.128 . 1 . . 337 . A 162 PHE CG . 34088 2
503 . 1 1 162 162 PHE N N 15 126.310 0.38 . 1 . . 336 . A 162 PHE N . 34088 2
504 . 1 1 163 163 ASN C C 13 173.808 0.064 . 1 . . 617 . A 163 ASN C . 34088 2
505 . 1 1 163 163 ASN CA C 13 52.753 0.094 . 1 . . 614 . A 163 ASN CA . 34088 2
506 . 1 1 163 163 ASN CB C 13 39.376 0.157 . 1 . . 613 . A 163 ASN CB . 34088 2
507 . 1 1 163 163 ASN N N 15 110.824 0.327 . 1 . . 615 . A 163 ASN N . 34088 2
508 . 1 1 164 164 GLU C C 13 176.583 0.141 . 1 . . 611 . A 164 GLU C . 34088 2
509 . 1 1 164 164 GLU CA C 13 59.342 0.101 . 1 . . 567 . A 164 GLU CA . 34088 2
510 . 1 1 164 164 GLU CB C 13 29.824 0.115 . 1 . . 569 . A 164 GLU CB . 34088 2
511 . 1 1 164 164 GLU CG C 13 36.984 0.13 . 1 . . 566 . A 164 GLU CG . 34088 2
512 . 1 1 164 164 GLU N N 15 114.477 0.319 . 1 . . 568 . A 164 GLU N . 34088 2
513 . 1 1 165 165 THR C C 13 173.962 0.084 . 1 . . 612 . A 165 THR C . 34088 2
514 . 1 1 165 165 THR CA C 13 64.572 0.099 . 1 . . 4 . A 165 THR CA . 34088 2
515 . 1 1 165 165 THR CB C 13 70.362 0.122 . 1 . . 5 . A 165 THR CB . 34088 2
516 . 1 1 165 165 THR CG2 C 13 22.800 0.071 . 1 . . 6 . A 165 THR CG2 . 34088 2
517 . 1 1 165 165 THR N N 15 115.757 0.482 . 1 . . 1212 . A 165 THR N . 34088 2
518 . 1 1 166 166 VAL C C 13 173.898 0.146 . 1 . . 563 . A 166 VAL C . 34088 2
519 . 1 1 166 166 VAL CA C 13 63.130 0.093 . 1 . . 1385 . A 166 VAL CA . 34088 2
520 . 1 1 166 166 VAL CB C 13 35.392 0.14 . 1 . . 560 . A 166 VAL CB . 34088 2
521 . 1 1 166 166 VAL CG1 C 13 21.227 0.12 . 1 . . 564 . A 166 VAL CG1 . 34088 2
522 . 1 1 166 166 VAL N N 15 120.180 0.393 . 1 . . 561 . A 166 VAL N . 34088 2
523 . 1 1 167 167 ALA C C 13 172.844 0.117 . 1 . . 269 . A 167 ALA C . 34088 2
524 . 1 1 167 167 ALA CA C 13 50.999 0.092 . 1 . . 253 . A 167 ALA CA . 34088 2
525 . 1 1 167 167 ALA CB C 13 23.457 0.107 . 1 . . 252 . A 167 ALA CB . 34088 2
526 . 1 1 167 167 ALA N N 15 128.306 0.144 . 1 . . 263 . A 167 ALA N . 34088 2
527 . 1 1 168 168 LEU C C 13 175.622 0.042 . 1 . . 133 . A 168 LEU C . 34088 2
528 . 1 1 168 168 LEU CA C 13 54.209 0.101 . 1 . . 122 . A 168 LEU CA . 34088 2
529 . 1 1 168 168 LEU CB C 13 48.282 0.11 . 1 . . 121 . A 168 LEU CB . 34088 2
530 . 1 1 168 168 LEU CG C 13 28.700 0.072 . 1 . . 120 . A 168 LEU CG . 34088 2
531 . 1 1 168 168 LEU CD1 C 13 23.955 0.091 . 2 . . 514 . A 168 LEU CD1 . 34088 2
532 . 1 1 168 168 LEU CD2 C 13 27.706 0.204 . 2 . . 586 . A 168 LEU CD2 . 34088 2
533 . 1 1 168 168 LEU N N 15 116.690 0.339 . 1 . . 587 . A 168 LEU N . 34088 2
534 . 1 1 169 169 ARG C C 13 175.719 0.096 . 1 . . 588 . A 169 ARG C . 34088 2
535 . 1 1 169 169 ARG CA C 13 54.867 0.094 . 1 . . 454 . A 169 ARG CA . 34088 2
536 . 1 1 169 169 ARG CB C 13 34.738 0.105 . 1 . . 456 . A 169 ARG CB . 34088 2
537 . 1 1 169 169 ARG CG C 13 27.756 0.12 . 1 . . 453 . A 169 ARG CG . 34088 2
538 . 1 1 169 169 ARG CD C 13 44.233 0.069 . 1 . . 455 . A 169 ARG CD . 34088 2
539 . 1 1 169 169 ARG CZ C 13 159.667 0.097 . 1 . . 700 . A 169 ARG CZ . 34088 2
540 . 1 1 169 169 ARG N N 15 125.004 0.279 . 1 . . 589 . A 169 ARG N . 34088 2
541 . 1 1 170 170 VAL C C 13 172.941 0.084 . 1 . . 562 . A 170 VAL C . 34088 2
542 . 1 1 170 170 VAL CA C 13 63.148 0.069 . 1 . . 558 . A 170 VAL CA . 34088 2
543 . 1 1 170 170 VAL CB C 13 34.697 0.072 . 1 . . 557 . A 170 VAL CB . 34088 2
544 . 1 1 170 170 VAL CG1 C 13 21.920 0.091 . 1 . . 565 . A 170 VAL CG1 . 34088 2
545 . 1 1 170 170 VAL N N 15 122.102 0.183 . 1 . . 559 . A 170 VAL N . 34088 2
546 . 1 1 171 171 ASN C C 13 175.204 . . 1 . . 1264 . A 171 ASN C . 34088 2
547 . 1 1 171 171 ASN CA C 13 51.217 0.058 . 1 . . 945 . A 171 ASN CA . 34088 2
548 . 1 1 171 171 ASN CB C 13 43.029 0.185 . 1 . . 943 . A 171 ASN CB . 34088 2
549 . 1 1 171 171 ASN N N 15 121.296 0.154 . 1 . . 944 . A 171 ASN N . 34088 2
550 . 1 1 172 172 TYR CA C 13 57.426 0.148 . 1 . . 861 . A 172 TYR CA . 34088 2
551 . 1 1 172 172 TYR CB C 13 42.073 0.216 . 1 . . 947 . A 172 TYR CB . 34088 2
552 . 1 1 172 172 TYR N N 15 121.857 . . 1 . . 1160 . A 172 TYR N . 34088 2
553 . 1 1 173 173 TYR C C 13 172.018 0.081 . 1 . . 939 . A 173 TYR C . 34088 2
554 . 1 1 173 173 TYR CA C 13 55.806 0.137 . 1 . . 937 . A 173 TYR CA . 34088 2
555 . 1 1 173 173 TYR CB C 13 42.710 0.163 . 1 . . 940 . A 173 TYR CB . 34088 2
556 . 1 1 173 173 TYR CD1 C 13 132.878 . . 1 . . 941 . A 173 TYR CD1 . 34088 2
557 . 1 1 173 173 TYR CD2 C 13 132.878 . . 1 . . 941 . A 173 TYR CD2 . 34088 2
558 . 1 1 174 174 LEU C C 13 173.916 0.104 . 1 . . 130 . A 174 LEU C . 34088 2
559 . 1 1 174 174 LEU CA C 13 52.662 0.1 . 1 . . 109 . A 174 LEU CA . 34088 2
560 . 1 1 174 174 LEU CB C 13 46.118 0.099 . 1 . . 108 . A 174 LEU CB . 34088 2
561 . 1 1 174 174 LEU CG C 13 28.473 0.055 . 1 . . 107 . A 174 LEU CG . 34088 2
562 . 1 1 174 174 LEU CD1 C 13 24.199 0.049 . 1 . . 509 . A 174 LEU CD1 . 34088 2
563 . 1 1 174 174 LEU N N 15 126.203 0.24 . 1 . . 491 . A 174 LEU N . 34088 2
564 . 1 1 194 194 ILE CA C 13 59.348 0.155 . 1 . . 1215 . A 194 ILE CA . 34088 2
565 . 1 1 194 194 ILE CB C 13 40.365 0.109 . 1 . . 959 . A 194 ILE CB . 34088 2
566 . 1 1 194 194 ILE CG1 C 13 27.593 0.079 . 1 . . 206 . A 194 ILE CG1 . 34088 2
567 . 1 1 194 194 ILE CG2 C 13 17.936 0.077 . 1 . . 208 . A 194 ILE CG2 . 34088 2
568 . 1 1 194 194 ILE CD1 C 13 13.343 0.08 . 1 . . 207 . A 194 ILE CD1 . 34088 2
569 . 1 1 195 195 ARG C C 13 173.457 0.095 . 1 . . 548 . A 195 ARG C . 34088 2
570 . 1 1 195 195 ARG CA C 13 55.101 0.073 . 1 . . 451 . A 195 ARG CA . 34088 2
571 . 1 1 195 195 ARG CB C 13 33.996 0.08 . 1 . . 452 . A 195 ARG CB . 34088 2
572 . 1 1 195 195 ARG CG C 13 28.617 0.064 . 1 . . 450 . A 195 ARG CG . 34088 2
573 . 1 1 195 195 ARG CD C 13 44.829 0.08 . 1 . . 1167 . A 195 ARG CD . 34088 2
574 . 1 1 195 195 ARG CZ C 13 159.720 . . 1 . . 1258 . A 195 ARG CZ . 34088 2
575 . 1 1 196 196 ALA C C 13 175.489 0.139 . 1 . . 272 . A 196 ALA C . 34088 2
576 . 1 1 196 196 ALA CA C 13 49.885 0.093 . 1 . . 245 . A 196 ALA CA . 34088 2
577 . 1 1 196 196 ALA CB C 13 22.196 0.087 . 1 . . 244 . A 196 ALA CB . 34088 2
578 . 1 1 196 196 ALA N N 15 124.169 0.361 . 1 . . 258 . A 196 ALA N . 34088 2
579 . 1 1 197 197 TYR C C 13 174.701 0.15 . 1 . . 496 . A 197 TYR C . 34088 2
580 . 1 1 197 197 TYR CA C 13 56.171 0.069 . 1 . . 296 . A 197 TYR CA . 34088 2
581 . 1 1 197 197 TYR CB C 13 43.341 0.103 . 1 . . 295 . A 197 TYR CB . 34088 2
582 . 1 1 197 197 TYR CG C 13 129.016 0.082 . 1 . . 298 . A 197 TYR CG . 34088 2
583 . 1 1 197 197 TYR CE1 C 13 119.609 0.153 . 1 . . 685 . A 197 TYR CE1 . 34088 2
584 . 1 1 197 197 TYR CE2 C 13 119.609 0.153 . 1 . . 685 . A 197 TYR CE2 . 34088 2
585 . 1 1 197 197 TYR N N 15 117.428 0.165 . 1 . . 297 . A 197 TYR N . 34088 2
586 . 1 1 198 198 LEU C C 13 171.113 0.084 . 1 . . 81 . A 198 LEU C . 34088 2
587 . 1 1 198 198 LEU CA C 13 51.718 0.08 . 1 . . 102 . A 198 LEU CA . 34088 2
588 . 1 1 198 198 LEU CB C 13 45.278 0.081 . 1 . . 80 . A 198 LEU CB . 34088 2
589 . 1 1 198 198 LEU CG C 13 27.939 0.069 . 1 . . 79 . A 198 LEU CG . 34088 2
590 . 1 1 198 198 LEU CD1 C 13 26.096 0.197 . 1 . . 495 . A 198 LEU CD1 . 34088 2
591 . 1 1 198 198 LEU N N 15 123.388 0.162 . 1 . . 494 . A 198 LEU N . 34088 2
592 . 1 1 199 199 PRO C C 13 177.551 0.105 . 1 . . 488 . A 199 PRO C . 34088 2
593 . 1 1 199 199 PRO CA C 13 64.538 0.09 . 1 . . 51 . A 199 PRO CA . 34088 2
594 . 1 1 199 199 PRO CB C 13 32.445 0.068 . 1 . . 49 . A 199 PRO CB . 34088 2
595 . 1 1 199 199 PRO CG C 13 28.467 0.064 . 1 . . 484 . A 199 PRO CG . 34088 2
596 . 1 1 199 199 PRO CD C 13 49.832 0.062 . 1 . . 50 . A 199 PRO CD . 34088 2
597 . 1 1 199 199 PRO N N 15 134.465 0.41 . 1 . . 73 . A 199 PRO N . 34088 2
598 . 1 1 200 200 LEU C C 13 179.143 0.092 . 1 . . 86 . A 200 LEU C . 34088 2
599 . 1 1 200 200 LEU CA C 13 53.277 0.072 . 1 . . 791 . A 200 LEU CA . 34088 2
600 . 1 1 200 200 LEU CB C 13 43.973 0.138 . 1 . . 789 . A 200 LEU CB . 34088 2
601 . 1 1 200 200 LEU CG C 13 26.733 0.067 . 1 . . 85 . A 200 LEU CG . 34088 2
602 . 1 1 200 200 LEU N N 15 126.143 0.563 . 1 . . 788 . A 200 LEU N . 34088 2
603 . 1 1 201 201 THR C C 13 174.021 0.075 . 1 . . 493 . A 201 THR C . 34088 2
604 . 1 1 201 201 THR CA C 13 61.943 0.089 . 1 . . 16 . A 201 THR CA . 34088 2
605 . 1 1 201 201 THR CB C 13 70.242 0.078 . 1 . . 17 . A 201 THR CB . 34088 2
606 . 1 1 201 201 THR CG2 C 13 21.991 0.057 . 1 . . 18 . A 201 THR CG2 . 34088 2
607 . 1 1 201 201 THR N N 15 122.151 0.152 . 1 . . 135 . A 201 THR N . 34088 2
608 . 1 1 202 202 LEU C C 13 176.405 0.089 . 1 . . 96 . A 202 LEU C . 34088 2
609 . 1 1 202 202 LEU CA C 13 52.375 0.067 . 1 . . 99 . A 202 LEU CA . 34088 2
610 . 1 1 202 202 LEU CB C 13 43.465 0.117 . 1 . . 95 . A 202 LEU CB . 34088 2
611 . 1 1 202 202 LEU CG C 13 26.844 0.075 . 1 . . 94 . A 202 LEU CG . 34088 2
612 . 1 1 202 202 LEU CD1 C 13 25.339 0.062 . 1 . . 492 . A 202 LEU CD1 . 34088 2
613 . 1 1 202 202 LEU N N 15 127.745 0.272 . 1 . . 489 . A 202 LEU N . 34088 2
614 . 1 1 203 203 GLY C C 13 176.036 0.215 . 1 . . 364 . A 203 GLY C . 34088 2
615 . 1 1 203 203 GLY CA C 13 47.591 0.081 . 1 . . 365 . A 203 GLY CA . 34088 2
616 . 1 1 203 203 GLY N N 15 111.900 0.105 . 1 . . 366 . A 203 GLY N . 34088 2
617 . 1 1 204 204 ASN C C 13 174.432 . . 1 . . 1251 . A 204 ASN C . 34088 2
618 . 1 1 204 204 ASN CA C 13 54.746 0.105 . 1 . . 703 . A 204 ASN CA . 34088 2
619 . 1 1 204 204 ASN CB C 13 39.282 0.102 . 1 . . 702 . A 204 ASN CB . 34088 2
620 . 1 1 204 204 ASN N N 15 126.158 0.206 . 1 . . 1174 . A 204 ASN N . 34088 2
621 . 1 1 205 205 HIS C C 13 176.140 0.164 . 1 . . 186 . A 205 HIS C . 34088 2
622 . 1 1 205 205 HIS CA C 13 55.828 0.072 . 1 . . 177 . A 205 HIS CA . 34088 2
623 . 1 1 205 205 HIS CB C 13 33.321 0.107 . 1 . . 176 . A 205 HIS CB . 34088 2
624 . 1 1 205 205 HIS CG C 13 137.334 0.124 . 1 . . 179 . A 205 HIS CG . 34088 2
625 . 1 1 205 205 HIS CD2 C 13 120.814 0.131 . 1 . . 178 . A 205 HIS CD2 . 34088 2
626 . 1 1 205 205 HIS CE1 C 13 137.723 0.272 . 1 . . 180 . A 205 HIS CE1 . 34088 2
627 . 1 1 205 205 HIS N N 15 121.348 0.399 . 1 . . 353 . A 205 HIS N . 34088 2
628 . 1 1 205 205 HIS ND1 N 15 166.717 0.323 . 1 . . 355 . A 205 HIS ND1 . 34088 2
629 . 1 1 206 206 SER C C 13 173.107 0.029 . 1 . . 972 . A 206 SER C . 34088 2
630 . 1 1 206 206 SER CA C 13 57.812 0.101 . 1 . . 412 . A 206 SER CA . 34088 2
631 . 1 1 206 206 SER CB C 13 64.962 0.084 . 1 . . 411 . A 206 SER CB . 34088 2
632 . 1 1 206 206 SER N N 15 121.059 0.338 . 1 . . 413 . A 206 SER N . 34088 2
633 . 1 1 207 207 VAL CA C 13 61.308 0.074 . 1 . . 743 . A 207 VAL CA . 34088 2
634 . 1 1 207 207 VAL CB C 13 35.868 0.077 . 1 . . 1218 . A 207 VAL CB . 34088 2
635 . 1 1 207 207 VAL N N 15 123.804 . . 1 . . 912 . A 207 VAL N . 34088 2
636 . 1 1 208 208 THR C C 13 173.576 0.089 . 1 . . 680 . A 208 THR C . 34088 2
637 . 1 1 208 208 THR CA C 13 59.431 0.103 . 1 . . 35 . A 208 THR CA . 34088 2
638 . 1 1 208 208 THR CB C 13 71.373 0.1 . 1 . . 36 . A 208 THR CB . 34088 2
639 . 1 1 208 208 THR CG2 C 13 23.911 0.084 . 1 . . 34 . A 208 THR CG2 . 34088 2
640 . 1 1 208 208 THR N N 15 121.679 0.14 . 1 . . 467 . A 208 THR N . 34088 2
641 . 1 1 209 209 PRO C C 13 175.955 0.084 . 1 . . 598 . A 209 PRO C . 34088 2
642 . 1 1 209 209 PRO CA C 13 62.405 0.133 . 1 . . 56 . A 209 PRO CA . 34088 2
643 . 1 1 209 209 PRO CB C 13 33.174 0.131 . 1 . . 54 . A 209 PRO CB . 34088 2
644 . 1 1 209 209 PRO CG C 13 28.284 0.091 . 1 . . 499 . A 209 PRO CG . 34088 2
645 . 1 1 209 209 PRO CD C 13 51.179 0.052 . 1 . . 55 . A 209 PRO CD . 34088 2
646 . 1 1 209 209 PRO N N 15 141.204 0.192 . 1 . . 500 . A 209 PRO N . 34088 2
647 . 1 1 210 210 TYR CA C 13 57.646 0.41 . 1 . . 595 . A 210 TYR CA . 34088 2
648 . 1 1 210 210 TYR CB C 13 42.673 0.166 . 1 . . 594 . A 210 TYR CB . 34088 2
649 . 1 1 210 210 TYR CG C 13 130.734 0.051 . 1 . . 597 . A 210 TYR CG . 34088 2
650 . 1 1 210 210 TYR N N 15 118.571 0.303 . 1 . . 596 . A 210 TYR N . 34088 2
651 . 1 1 211 211 THR CA C 13 59.393 0.118 . 1 . . 39 . A 211 THR CA . 34088 2
652 . 1 1 211 211 THR CB C 13 71.336 0.146 . 1 . . 38 . A 211 THR CB . 34088 2
653 . 1 1 211 211 THR CG2 C 13 19.649 0.163 . 1 . . 37 . A 211 THR CG2 . 34088 2
654 . 1 1 211 211 THR N N 15 111.777 0.06 . 1 . . 752 . A 211 THR N . 34088 2
655 . 1 1 237 237 VAL CA C 13 60.601 0.133 . 1 . . 1100 . A 237 VAL CA . 34088 2
656 . 1 1 238 238 GLY C C 13 170.511 0.002 . 1 . . 886 . A 238 GLY C . 34088 2
657 . 1 1 238 238 GLY CA C 13 46.122 0.008 . 1 . . 884 . A 238 GLY CA . 34088 2
658 . 1 1 238 238 GLY N N 15 110.004 0.746 . 1 . . 883 . A 238 GLY N . 34088 2
659 . 1 1 239 239 LEU C C 13 174.264 0.17 . 1 . . 537 . A 239 LEU C . 34088 2
660 . 1 1 239 239 LEU CA C 13 55.125 0.051 . 1 . . 127 . A 239 LEU CA . 34088 2
661 . 1 1 239 239 LEU CB C 13 47.107 0.069 . 1 . . 115 . A 239 LEU CB . 34088 2
662 . 1 1 239 239 LEU CG C 13 27.838 0.055 . 1 . . 114 . A 239 LEU CG . 34088 2
663 . 1 1 239 239 LEU CD1 C 13 26.725 0.066 . 1 . . 1270 . A 239 LEU CD1 . 34088 2
664 . 1 1 240 240 PHE CA C 13 57.101 0.134 . 1 . . 1231 . A 240 PHE CA . 34088 2
665 . 1 1 240 240 PHE CB C 13 42.627 . . 1 . . 1233 . A 240 PHE CB . 34088 2
666 . 1 1 240 240 PHE CG C 13 140.005 0.052 . 1 . . 1232 . A 240 PHE CG . 34088 2
667 . 1 1 240 240 PHE N N 15 123.519 . . 1 . . 1230 . A 240 PHE N . 34088 2
668 . 1 1 241 241 TYR CA C 13 56.784 0.044 . 1 . . 910 . A 241 TYR CA . 34088 2
669 . 1 1 241 241 TYR CB C 13 43.193 0.031 . 1 . . 911 . A 241 TYR CB . 34088 2
670 . 1 1 241 241 TYR CG C 13 128.367 0.214 . 1 . . 343 . A 241 TYR CG . 34088 2
671 . 1 1 241 241 TYR N N 15 130.400 0.242 . 1 . . 342 . A 241 TYR N . 34088 2
672 . 1 1 242 242 GLY C C 13 170.863 0.088 . 1 . . 869 . A 242 GLY C . 34088 2
673 . 1 1 242 242 GLY CA C 13 44.482 0.14 . 1 . . 389 . A 242 GLY CA . 34088 2
674 . 1 1 242 242 GLY N N 15 113.671 0.255 . 1 . . 390 . A 242 GLY N . 34088 2
675 . 1 1 243 243 TYR CA C 13 58.266 0.108 . 1 . . 600 . A 243 TYR CA . 34088 2
676 . 1 1 243 243 TYR CB C 13 42.488 0.093 . 1 . . 601 . A 243 TYR CB . 34088 2
677 . 1 1 243 243 TYR CG C 13 130.771 0.075 . 1 . . 602 . A 243 TYR CG . 34088 2
678 . 1 1 243 243 TYR CE1 C 13 117.783 0.08 . 1 . . 1242 . A 243 TYR CE1 . 34088 2
679 . 1 1 243 243 TYR CE2 C 13 117.783 0.08 . 1 . . 1242 . A 243 TYR CE2 . 34088 2
680 . 1 1 243 243 TYR N N 15 118.526 0.233 . 1 . . 599 . A 243 TYR N . 34088 2
681 . 1 1 244 244 ASP CA C 13 52.770 0.248 . 1 . . 814 . A 244 ASP CA . 34088 2
682 . 1 1 244 244 ASP CB C 13 42.859 0.139 . 1 . . 850 . A 244 ASP CB . 34088 2
683 . 1 1 245 245 PHE CA C 13 60.541 0.051 . 1 . . 324 . A 245 PHE CA . 34088 2
684 . 1 1 245 245 PHE CB C 13 39.228 0.075 . 1 . . 325 . A 245 PHE CB . 34088 2
685 . 1 1 245 245 PHE CG C 13 142.322 0.141 . 1 . . 326 . A 245 PHE CG . 34088 2
686 . 1 1 245 245 PHE CE1 C 13 131.577 0.14 . 1 . . 1285 . A 245 PHE CE1 . 34088 2
687 . 1 1 245 245 PHE CE2 C 13 131.577 0.14 . 1 . . 1285 . A 245 PHE CE2 . 34088 2
688 . 1 1 245 245 PHE N N 15 120.810 0.132 . 1 . . 323 . A 245 PHE N . 34088 2
689 . 1 1 249 249 LEU C C 13 175.752 0.243 . 1 . . 683 . A 249 LEU C . 34088 2
690 . 1 1 249 249 LEU CA C 13 55.178 0.016 . 1 . . 105 . A 249 LEU CA . 34088 2
691 . 1 1 249 249 LEU CB C 13 45.136 0.127 . 1 . . 104 . A 249 LEU CB . 34088 2
692 . 1 1 249 249 LEU CG C 13 28.058 0.002 . 1 . . 103 . A 249 LEU CG . 34088 2
693 . 1 1 249 249 LEU CD1 C 13 26.660 . . 1 . . 1272 . A 249 LEU CD1 . 34088 2
694 . 1 1 250 250 SER C C 13 173.035 0.157 . 1 . . 540 . A 250 SER C . 34088 2
695 . 1 1 250 250 SER CA C 13 57.269 0.314 . 1 . . 523 . A 250 SER CA . 34088 2
696 . 1 1 250 250 SER CB C 13 68.158 0.48 . 1 . . 524 . A 250 SER CB . 34088 2
697 . 1 1 251 251 VAL C C 13 175.345 0.166 . 1 . . 541 . A 251 VAL C . 34088 2
698 . 1 1 251 251 VAL CA C 13 59.227 0.053 . 1 . . 526 . A 251 VAL CA . 34088 2
699 . 1 1 251 251 VAL CB C 13 37.191 0.087 . 1 . . 525 . A 251 VAL CB . 34088 2
700 . 1 1 251 251 VAL CG1 C 13 20.154 . . 1 . . 708 . A 251 VAL CG1 . 34088 2
701 . 1 1 251 251 VAL N N 15 113.974 0.391 . 1 . . 527 . A 251 VAL N . 34088 2
702 . 1 1 252 252 SER C C 13 172.875 0.129 . 1 . . 538 . A 252 SER C . 34088 2
703 . 1 1 252 252 SER CA C 13 57.093 0.163 . 1 . . 409 . A 252 SER CA . 34088 2
704 . 1 1 252 252 SER CB C 13 67.671 0.294 . 1 . . 408 . A 252 SER CB . 34088 2
705 . 1 1 252 252 SER N N 15 119.401 0.239 . 1 . . 410 . A 252 SER N . 34088 2
706 . 1 1 253 253 LEU C C 13 175.713 0.088 . 1 . . 132 . A 253 LEU C . 34088 2
707 . 1 1 253 253 LEU CA C 13 54.556 0.16 . 1 . . 123 . A 253 LEU CA . 34088 2
708 . 1 1 253 253 LEU CB C 13 47.617 0.203 . 1 . . 117 . A 253 LEU CB . 34088 2
709 . 1 1 253 253 LEU CG C 13 28.540 0.117 . 1 . . 116 . A 253 LEU CG . 34088 2
710 . 1 1 253 253 LEU CD1 C 13 25.379 0.057 . 2 . . 512 . A 253 LEU CD1 . 34088 2
711 . 1 1 253 253 LEU CD2 C 13 27.090 . . 2 . . 1271 . A 253 LEU CD2 . 34088 2
712 . 1 1 253 253 LEU N N 15 121.373 0.217 . 1 . . 539 . A 253 LEU N . 34088 2
713 . 1 1 272 272 TYR C C 13 172.085 0.129 . 1 . . 634 . A 272 TYR C . 34088 2
714 . 1 1 272 272 TYR CB C 13 42.026 0.058 . 1 . . 633 . A 272 TYR CB . 34088 2
715 . 1 1 273 273 ALA C C 13 175.534 0.149 . 1 . . 631 . A 273 ALA C . 34088 2
716 . 1 1 273 273 ALA CA C 13 51.430 0.11 . 1 . . 275 . A 273 ALA CA . 34088 2
717 . 1 1 273 273 ALA CB C 13 24.185 0.154 . 1 . . 274 . A 273 ALA CB . 34088 2
718 . 1 1 273 273 ALA N N 15 127.632 0.101 . 1 . . 276 . A 273 ALA N . 34088 2
719 . 1 1 274 274 GLY C C 13 172.772 0.086 . 1 . . 378 . A 274 GLY C . 34088 2
720 . 1 1 274 274 GLY CA C 13 46.443 0.168 . 1 . . 379 . A 274 GLY CA . 34088 2
721 . 1 1 274 274 GLY N N 15 105.314 0.327 . 1 . . 380 . A 274 GLY N . 34088 2
722 . 1 1 275 275 VAL C C 13 173.528 . . 1 . . 637 . A 275 VAL C . 34088 2
723 . 1 1 275 275 VAL CA C 13 59.699 0.098 . 1 . . 636 . A 275 VAL CA . 34088 2
724 . 1 1 275 275 VAL CB C 13 36.094 0.079 . 1 . . 1132 . A 275 VAL CB . 34088 2
725 . 1 1 275 275 VAL CG1 C 13 21.893 0.148 . 1 . . 638 . A 275 VAL CG1 . 34088 2
726 . 1 1 275 275 VAL N N 15 119.266 0.016 . 1 . . 635 . A 275 VAL N . 34088 2
727 . 1 1 276 276 GLY C C 13 171.990 0.064 . 1 . . 1159 . A 276 GLY C . 34088 2
728 . 1 1 276 276 GLY CA C 13 46.144 0.115 . 1 . . 370 . A 276 GLY CA . 34088 2
729 . 1 1 276 276 GLY N N 15 111.759 0.14 . 1 . . 371 . A 276 GLY N . 34088 2
730 . 1 1 277 277 VAL CA C 13 60.033 0.063 . 1 . . 1208 . A 277 VAL CA . 34088 2
731 . 1 1 277 277 VAL CB C 13 36.286 0.066 . 1 . . 1209 . A 277 VAL CB . 34088 2
732 . 1 1 278 278 ASN C C 13 172.954 . . 1 . . 1150 . A 278 ASN C . 34088 2
733 . 1 1 278 278 ASN CA C 13 53.385 0.115 . 1 . . 1200 . A 278 ASN CA . 34088 2
734 . 1 1 278 278 ASN CB C 13 44.925 0.177 . 1 . . 1201 . A 278 ASN CB . 34088 2
735 . 1 1 278 278 ASN CG C 13 178.105 . . 1 . . 1283 . A 278 ASN CG . 34088 2
736 . 1 1 279 279 TYR CA C 13 57.010 0.206 . 1 . . 1210 . A 279 TYR CA . 34088 2
737 . 1 1 279 279 TYR CB C 13 42.201 0.022 . 1 . . 1211 . A 279 TYR CB . 34088 2
738 . 1 1 280 280 SER C C 13 173.890 . . 1 . . 1221 . A 280 SER C . 34088 2
739 . 1 1 280 280 SER CA C 13 56.492 0.127 . 1 . . 407 . A 280 SER CA . 34088 2
740 . 1 1 280 280 SER CB C 13 66.275 0.094 . 1 . . 406 . A 280 SER CB . 34088 2
741 . 1 1 280 280 SER N N 15 123.984 0.478 . 1 . . 1223 . A 280 SER N . 34088 2
742 . 1 1 281 281 PHE CA C 13 58.571 0.162 . 1 . . 1248 . A 281 PHE CA . 34088 2
743 . 1 1 281 281 PHE CG C 13 141.025 0.097 . 1 . . 1249 . A 281 PHE CG . 34088 2
744 . 1 1 281 281 PHE N N 15 127.445 . . 1 . . 1250 . A 281 PHE N . 34088 2
stop_
save_
###################################
# 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_3
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_3
_Assigned_chem_shift_list.Entry_ID 34088
_Assigned_chem_shift_list.ID 3
_Assigned_chem_shift_list.Sample_condition_list_ID 3
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_3
_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
;
Shift list corresponding to the shifts found doing a back-bone walk.
List includes H, N, CA, CB and CO chemical shifts. As indicated,
the sample used was deuterated and back-exchanged.
Therefore an isotope shift is present compared to the shifts in shift list 2.
This isotope shift is most pronounced in the CB chemical shifts.
;
_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 '3D (H)N(HH)NH RFDR 2ms' . . . 34088 3
2 '3D (H)NHH RFDR 2ms' . . . 34088 3
3 '2D 13C-13C DARR 200ms' . . . 34088 3
4 '2D 13C-13C DARR 400ms' . . . 34088 3
5 '2D 13C-13C DARR 200ms' . . . 34088 3
6 '2D 13C-13C DARR 400ms' . . . 34088 3
7 '2D 13C-13C DARR 400ms' . . . 34088 3
8 '2D 13C-13C DARR 150ms' . . . 34088 3
9 '2D 13C-13C DARR 150ms' . . . 34088 3
10 '2D 13C-13C DARR 400ms' . . . 34088 3
11 '2D 13C-13C DARR 150ms' . . . 34088 3
12 '2D 13C-13C DARR 400ms' . . . 34088 3
13 '2D 13C-13C DARR 500ms' . . . 34088 3
14 '3D (H)CANH' . . . 34088 3
15 '3D (H)CANH' . . . 34088 3
16 '3D (HCO)CA(CO)NH' . . . 34088 3
17 '3D (HCA)CB(CA)NH' . . . 34088 3
18 '3D (HCA)CBCA(CO)NH' . . . 34088 3
19 '3D (H)CONH' . . . 34088 3
20 '3D (H)CO(CA)NH' . . . 34088 3
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.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 8 8 HIS H H 1 8.790 . . 1 . . 1220 . A 8 HIS H . 34088 3
2 . 1 1 8 8 HIS C C 13 174.505 . . 1 . . 1253 . A 8 HIS C . 34088 3
3 . 1 1 8 8 HIS CA C 13 55.008 0.197 . 1 . . 168 . A 8 HIS CA . 34088 3
4 . 1 1 8 8 HIS N N 15 118.559 0.05 . 1 . . 1219 . A 8 HIS N . 34088 3
5 . 1 1 9 9 PHE H H 1 9.295 0.033 . 1 . . 860 . A 9 PHE H . 34088 3
6 . 1 1 9 9 PHE C C 13 174.384 0.067 . 1 . . 1252 . A 9 PHE C . 34088 3
7 . 1 1 9 9 PHE CA C 13 57.316 0.081 . 1 . . 1204 . A 9 PHE CA . 34088 3
8 . 1 1 9 9 PHE CB C 13 43.018 . . 1 . . 1205 . A 9 PHE CB . 34088 3
9 . 1 1 9 9 PHE N N 15 123.478 0.106 . 1 . . 1227 . A 9 PHE N . 34088 3
10 . 1 1 10 10 ASN H H 1 8.687 0.025 . 1 . . 1008 . A 10 ASN H . 34088 3
11 . 1 1 10 10 ASN HD21 H 1 6.706 0.004 . 1 . . 1276 . A 10 ASN HD21 . 34088 3
12 . 1 1 10 10 ASN C C 13 173.704 . . 1 . . 1263 . A 10 ASN C . 34088 3
13 . 1 1 10 10 ASN CA C 13 54.235 0.104 . 1 . . 1199 . A 10 ASN CA . 34088 3
14 . 1 1 10 10 ASN CB C 13 43.787 0.081 . 1 . . 1198 . A 10 ASN CB . 34088 3
15 . 1 1 10 10 ASN CG C 13 178.495 . . 1 . . 1278 . A 10 ASN CG . 34088 3
16 . 1 1 10 10 ASN N N 15 116.655 0.174 . 1 . . 1007 . A 10 ASN N . 34088 3
17 . 1 1 10 10 ASN ND2 N 15 115.800 0.017 . 1 . . 1277 . A 10 ASN ND2 . 34088 3
18 . 1 1 11 11 ILE H H 1 9.457 0.003 . 1 . . 1193 . A 11 ILE H . 34088 3
19 . 1 1 11 11 ILE C C 13 175.427 . . 1 . . 1268 . A 11 ILE C . 34088 3
20 . 1 1 11 11 ILE CA C 13 59.448 0.246 . 1 . . 215 . A 11 ILE CA . 34088 3
21 . 1 1 11 11 ILE CB C 13 43.002 0.224 . 1 . . 214 . A 11 ILE CB . 34088 3
22 . 1 1 11 11 ILE N N 15 116.613 0.011 . 1 . . 1192 . A 11 ILE N . 34088 3
23 . 1 1 12 12 GLY H H 1 7.830 0.028 . 1 . . 882 . A 12 GLY H . 34088 3
24 . 1 1 12 12 GLY C C 13 170.440 0.068 . 1 . . 766 . A 12 GLY C . 34088 3
25 . 1 1 12 12 GLY CA C 13 46.932 0.071 . 1 . . 725 . A 12 GLY CA . 34088 3
26 . 1 1 12 12 GLY N N 15 110.642 0.344 . 1 . . 604 . A 12 GLY N . 34088 3
27 . 1 1 13 13 ALA H H 1 8.562 0.082 . 1 . . 724 . A 13 ALA H . 34088 3
28 . 1 1 13 13 ALA C C 13 175.962 0.103 . 1 . . 271 . A 13 ALA C . 34088 3
29 . 1 1 13 13 ALA CA C 13 51.082 0.068 . 1 . . 261 . A 13 ALA CA . 34088 3
30 . 1 1 13 13 ALA CB C 13 23.732 0.076 . 1 . . 260 . A 13 ALA CB . 34088 3
31 . 1 1 13 13 ALA N N 15 116.639 0.184 . 1 . . 262 . A 13 ALA N . 34088 3
32 . 1 1 14 14 MET H H 1 9.389 0.028 . 1 . . 1145 . A 14 MET H . 34088 3
33 . 1 1 14 14 MET CA C 13 55.050 0.039 . 1 . . 1144 . A 14 MET CA . 34088 3
34 . 1 1 14 14 MET CB C 13 37.344 . . 1 . . 682 . A 14 MET CB . 34088 3
35 . 1 1 14 14 MET N N 15 120.008 0.324 . 1 . . 1168 . A 14 MET N . 34088 3
36 . 1 1 15 15 TYR H H 1 9.297 0.028 . 1 . . 859 . A 15 TYR H . 34088 3
37 . 1 1 15 15 TYR CA C 13 59.541 0.064 . 1 . . 331 . A 15 TYR CA . 34088 3
38 . 1 1 15 15 TYR N N 15 122.415 0.271 . 1 . . 330 . A 15 TYR N . 34088 3
39 . 1 1 16 16 GLU H H 1 7.482 0.017 . 1 . . 1172 . A 16 GLU H . 34088 3
40 . 1 1 16 16 GLU CA C 13 54.236 . . 1 . . 1171 . A 16 GLU CA . 34088 3
41 . 1 1 16 16 GLU N N 15 126.092 0.066 . 1 . . 1170 . A 16 GLU N . 34088 3
42 . 1 1 31 31 ALA C C 13 178.968 . . 1 . . 1194 . A 31 ALA C . 34088 3
43 . 1 1 31 31 ALA CA C 13 51.816 . . 1 . . 249 . A 31 ALA CA . 34088 3
44 . 1 1 32 32 GLU H H 1 8.759 0.023 . 1 . . 1122 . A 32 GLU H . 34088 3
45 . 1 1 32 32 GLU CA C 13 52.419 0.001 . 1 . . 1123 . A 32 GLU CA . 34088 3
46 . 1 1 32 32 GLU N N 15 121.470 0.061 . 1 . . 707 . A 32 GLU N . 34088 3
47 . 1 1 33 33 PRO C C 13 176.010 . . 1 . . 625 . A 33 PRO C . 34088 3
48 . 1 1 33 33 PRO CA C 13 62.446 0.247 . 1 . . 48 . A 33 PRO CA . 34088 3
49 . 1 1 34 34 SER H H 1 9.452 0.037 . 1 . . 771 . A 34 SER H . 34088 3
50 . 1 1 34 34 SER C C 13 172.750 . . 1 . . 626 . A 34 SER C . 34088 3
51 . 1 1 34 34 SER CA C 13 58.975 0.04 . 1 . . 417 . A 34 SER CA . 34088 3
52 . 1 1 34 34 SER N N 15 110.558 0.413 . 1 . . 418 . A 34 SER N . 34088 3
53 . 1 1 35 35 VAL H H 1 9.050 0.044 . 1 . . 879 . A 35 VAL H . 34088 3
54 . 1 1 35 35 VAL CA C 13 59.479 0.044 . 1 . . 628 . A 35 VAL CA . 34088 3
55 . 1 1 35 35 VAL CB C 13 36.212 . . 1 . . 629 . A 35 VAL CB . 34088 3
56 . 1 1 35 35 VAL N N 15 111.504 0.218 . 1 . . 627 . A 35 VAL N . 34088 3
57 . 1 1 36 36 TYR CA C 13 57.834 0.406 . 1 . . 312 . A 36 TYR CA . 34088 3
58 . 1 1 36 36 TYR CB C 13 41.696 . . 1 . . 311 . A 36 TYR CB . 34088 3
59 . 1 1 37 37 PHE H H 1 9.228 0.035 . 1 . . 949 . A 37 PHE H . 34088 3
60 . 1 1 37 37 PHE C C 13 174.496 0.052 . 1 . . 950 . A 37 PHE C . 34088 3
61 . 1 1 37 37 PHE CA C 13 56.473 0.109 . 1 . . 307 . A 37 PHE CA . 34088 3
62 . 1 1 37 37 PHE CB C 13 44.809 0.043 . 1 . . 306 . A 37 PHE CB . 34088 3
63 . 1 1 37 37 PHE N N 15 118.645 0.225 . 1 . . 308 . A 37 PHE N . 34088 3
64 . 1 1 38 38 ASN H H 1 9.347 0.027 . 1 . . 951 . A 38 ASN H . 34088 3
65 . 1 1 38 38 ASN HD21 H 1 5.744 0.038 . 1 . . 922 . A 38 ASN HD21 . 34088 3
66 . 1 1 38 38 ASN C C 13 172.184 0.059 . 1 . . 545 . A 38 ASN C . 34088 3
67 . 1 1 38 38 ASN CA C 13 53.109 0.048 . 1 . . 862 . A 38 ASN CA . 34088 3
68 . 1 1 38 38 ASN CB C 13 42.695 0.113 . 1 . . 546 . A 38 ASN CB . 34088 3
69 . 1 1 38 38 ASN CG C 13 175.246 . . 1 . . 923 . A 38 ASN CG . 34088 3
70 . 1 1 38 38 ASN N N 15 122.089 0.181 . 1 . . 1267 . A 38 ASN N . 34088 3
71 . 1 1 38 38 ASN ND2 N 15 109.181 0.312 . 1 . . 921 . A 38 ASN ND2 . 34088 3
72 . 1 1 39 39 ALA H H 1 9.126 0.043 . 1 . . 730 . A 39 ALA H . 34088 3
73 . 1 1 39 39 ALA C C 13 175.330 0.044 . 1 . . 270 . A 39 ALA C . 34088 3
74 . 1 1 39 39 ALA CA C 13 51.067 0.08 . 1 . . 257 . A 39 ALA CA . 34088 3
75 . 1 1 39 39 ALA CB C 13 24.484 0.158 . 1 . . 256 . A 39 ALA CB . 34088 3
76 . 1 1 39 39 ALA N N 15 120.451 0.268 . 1 . . 259 . A 39 ALA N . 34088 3
77 . 1 1 40 40 ALA H H 1 9.006 0.049 . 1 . . 747 . A 40 ALA H . 34088 3
78 . 1 1 40 40 ALA C C 13 176.046 0.088 . 1 . . 573 . A 40 ALA C . 34088 3
79 . 1 1 40 40 ALA CA C 13 51.172 0.084 . 1 . . 266 . A 40 ALA CA . 34088 3
80 . 1 1 40 40 ALA CB C 13 23.548 0.079 . 1 . . 265 . A 40 ALA CB . 34088 3
81 . 1 1 40 40 ALA N N 15 123.634 0.22 . 1 . . 267 . A 40 ALA N . 34088 3
82 . 1 1 41 41 ASN H H 1 8.095 0.037 . 1 . . 728 . A 41 ASN H . 34088 3
83 . 1 1 41 41 ASN C C 13 175.587 0.046 . 1 . . 1266 . A 41 ASN C . 34088 3
84 . 1 1 41 41 ASN CA C 13 53.195 0.253 . 1 . . 727 . A 41 ASN CA . 34088 3
85 . 1 1 41 41 ASN CB C 13 38.881 0.162 . 1 . . 824 . A 41 ASN CB . 34088 3
86 . 1 1 41 41 ASN N N 15 118.359 0.117 . 1 . . 726 . A 41 ASN N . 34088 3
87 . 1 1 42 42 GLY H H 1 8.939 0.036 . 1 . . 935 . A 42 GLY H . 34088 3
88 . 1 1 42 42 GLY C C 13 174.033 . . 1 . . 384 . A 42 GLY C . 34088 3
89 . 1 1 42 42 GLY CA C 13 45.290 0.037 . 1 . . 385 . A 42 GLY CA . 34088 3
90 . 1 1 42 42 GLY N N 15 116.959 0.17 . 1 . . 386 . A 42 GLY N . 34088 3
91 . 1 1 43 43 PRO C C 13 176.432 . . 1 . . 970 . A 43 PRO C . 34088 3
92 . 1 1 43 43 PRO CA C 13 63.678 0.107 . 1 . . 59 . A 43 PRO CA . 34088 3
93 . 1 1 43 43 PRO CB C 13 31.921 0.023 . 1 . . 57 . A 43 PRO CB . 34088 3
94 . 1 1 44 44 TRP H H 1 8.063 0.054 . 1 . . 762 . A 44 TRP H . 34088 3
95 . 1 1 44 44 TRP C C 13 177.612 . . 1 . . 190 . A 44 TRP C . 34088 3
96 . 1 1 44 44 TRP CA C 13 57.739 0.089 . 1 . . 149 . A 44 TRP CA . 34088 3
97 . 1 1 44 44 TRP CB C 13 33.266 0.138 . 1 . . 148 . A 44 TRP CB . 34088 3
98 . 1 1 44 44 TRP N N 15 122.578 0.148 . 1 . . 761 . A 44 TRP N . 34088 3
99 . 1 1 45 45 ARG H H 1 9.232 0.032 . 1 . . 816 . A 45 ARG H . 34088 3
100 . 1 1 45 45 ARG C C 13 174.978 . . 1 . . 764 . A 45 ARG C . 34088 3
101 . 1 1 45 45 ARG CA C 13 56.541 0.146 . 1 . . 815 . A 45 ARG CA . 34088 3
102 . 1 1 45 45 ARG CB C 13 34.068 0.157 . 1 . . 817 . A 45 ARG CB . 34088 3
103 . 1 1 45 45 ARG N N 15 121.660 0.149 . 1 . . 1254 . A 45 ARG N . 34088 3
104 . 1 1 46 46 ILE H H 1 9.775 0.02 . 1 . . 712 . A 46 ILE H . 34088 3
105 . 1 1 46 46 ILE C C 13 173.856 . . 1 . . 497 . A 46 ILE C . 34088 3
106 . 1 1 46 46 ILE CA C 13 60.880 0.088 . 1 . . 193 . A 46 ILE CA . 34088 3
107 . 1 1 46 46 ILE CB C 13 41.460 0.092 . 1 . . 192 . A 46 ILE CB . 34088 3
108 . 1 1 46 46 ILE N N 15 126.908 0.253 . 1 . . 498 . A 46 ILE N . 34088 3
109 . 1 1 47 47 ALA H H 1 9.599 0.029 . 1 . . 714 . A 47 ALA H . 34088 3
110 . 1 1 47 47 ALA C C 13 175.450 0.092 . 1 . . 505 . A 47 ALA C . 34088 3
111 . 1 1 47 47 ALA CA C 13 51.619 0.222 . 1 . . 278 . A 47 ALA CA . 34088 3
112 . 1 1 47 47 ALA CB C 13 23.459 0.09 . 1 . . 277 . A 47 ALA CB . 34088 3
113 . 1 1 47 47 ALA N N 15 128.890 0.162 . 1 . . 279 . A 47 ALA N . 34088 3
114 . 1 1 48 48 LEU H H 1 9.617 0.045 . 1 . . 734 . A 48 LEU H . 34088 3
115 . 1 1 48 48 LEU C C 13 176.528 0.095 . 1 . . 84 . A 48 LEU C . 34088 3
116 . 1 1 48 48 LEU CA C 13 54.266 0.058 . 1 . . 126 . A 48 LEU CA . 34088 3
117 . 1 1 48 48 LEU CB C 13 46.281 0.17 . 1 . . 83 . A 48 LEU CB . 34088 3
118 . 1 1 48 48 LEU N N 15 123.034 0.289 . 1 . . 504 . A 48 LEU N . 34088 3
119 . 1 1 49 49 ALA H H 1 9.199 0.099 . 1 . . 952 . A 49 ALA H . 34088 3
120 . 1 1 49 49 ALA C C 13 175.425 . . 1 . . 286 . A 49 ALA C . 34088 3
121 . 1 1 49 49 ALA CA C 13 52.282 0.071 . 1 . . 809 . A 49 ALA CA . 34088 3
122 . 1 1 49 49 ALA CB C 13 23.929 0.232 . 1 . . 808 . A 49 ALA CB . 34088 3
123 . 1 1 49 49 ALA N N 15 122.721 0.478 . 1 . . 285 . A 49 ALA N . 34088 3
124 . 1 1 50 50 TYR H H 1 9.090 0.072 . 1 . . 953 . A 50 TYR H . 34088 3
125 . 1 1 50 50 TYR C C 13 172.070 . . 1 . . 974 . A 50 TYR C . 34088 3
126 . 1 1 50 50 TYR CA C 13 60.071 0.113 . 1 . . 320 . A 50 TYR CA . 34088 3
127 . 1 1 50 50 TYR CB C 13 42.094 0.154 . 1 . . 319 . A 50 TYR CB . 34088 3
128 . 1 1 50 50 TYR N N 15 118.407 0.213 . 1 . . 321 . A 50 TYR N . 34088 3
129 . 1 1 51 51 TYR H H 1 6.144 0.046 . 1 . . 669 . A 51 TYR H . 34088 3
130 . 1 1 51 51 TYR C C 13 171.796 . . 1 . . 1163 . A 51 TYR C . 34088 3
131 . 1 1 51 51 TYR CA C 13 55.499 0.007 . 1 . . 292 . A 51 TYR CA . 34088 3
132 . 1 1 51 51 TYR CB C 13 43.312 0.213 . 1 . . 291 . A 51 TYR CB . 34088 3
133 . 1 1 51 51 TYR N N 15 128.302 0.247 . 1 . . 293 . A 51 TYR N . 34088 3
134 . 1 1 52 52 GLN H H 1 7.431 0.028 . 1 . . 801 . A 52 GLN H . 34088 3
135 . 1 1 52 52 GLN CA C 13 54.546 0.065 . 1 . . 1387 . A 52 GLN CA . 34088 3
136 . 1 1 52 52 GLN CB C 13 34.856 . . 1 . . 1386 . A 52 GLN CB . 34088 3
137 . 1 1 52 52 GLN N N 15 126.655 0.204 . 1 . . 800 . A 52 GLN N . 34088 3
138 . 1 1 67 67 PHE H H 1 8.775 0.003 . 1 . . 969 . A 67 PHE H . 34088 3
139 . 1 1 67 67 PHE C C 13 173.781 . . 1 . . 1286 . A 67 PHE C . 34088 3
140 . 1 1 67 67 PHE CA C 13 56.306 0.132 . 1 . . 1176 . A 67 PHE CA . 34088 3
141 . 1 1 67 67 PHE CB C 13 42.199 . . 1 . . 299 . A 67 PHE CB . 34088 3
142 . 1 1 67 67 PHE N N 15 114.625 0.111 . 1 . . 300 . A 67 PHE N . 34088 3
143 . 1 1 68 68 ASP H H 1 9.034 0.015 . 1 . . 1089 . A 68 ASP H . 34088 3
144 . 1 1 68 68 ASP CA C 13 52.308 0.057 . 1 . . 1175 . A 68 ASP CA . 34088 3
145 . 1 1 68 68 ASP CB C 13 42.349 . . 1 . . 1202 . A 68 ASP CB . 34088 3
146 . 1 1 68 68 ASP N N 15 118.602 0.093 . 1 . . 1088 . A 68 ASP N . 34088 3
147 . 1 1 69 69 ARG H H 1 8.284 0.018 . 1 . . 1115 . A 69 ARG H . 34088 3
148 . 1 1 69 69 ARG CA C 13 53.796 0.003 . 1 . . 427 . A 69 ARG CA . 34088 3
149 . 1 1 69 69 ARG N N 15 118.601 0.004 . 1 . . 1255 . A 69 ARG N . 34088 3
150 . 1 1 70 70 PRO C C 13 176.085 . . 1 . . 1179 . A 70 PRO C . 34088 3
151 . 1 1 70 70 PRO CA C 13 63.736 . . 1 . . 53 . A 70 PRO CA . 34088 3
152 . 1 1 70 70 PRO CB C 13 32.891 . . 1 . . 1177 . A 70 PRO CB . 34088 3
153 . 1 1 71 71 GLU H H 1 8.962 0.041 . 1 . . 905 . A 71 GLU H . 34088 3
154 . 1 1 71 71 GLU CA C 13 55.390 0.045 . 1 . . 907 . A 71 GLU CA . 34088 3
155 . 1 1 71 71 GLU CB C 13 35.675 0.158 . 1 . . 908 . A 71 GLU CB . 34088 3
156 . 1 1 71 71 GLU N N 15 119.632 0.209 . 1 . . 906 . A 71 GLU N . 34088 3
157 . 1 1 72 72 LEU H H 1 8.963 0.029 . 1 . . 983 . A 72 LEU H . 34088 3
158 . 1 1 72 72 LEU CA C 13 54.707 0.208 . 1 . . 982 . A 72 LEU CA . 34088 3
159 . 1 1 72 72 LEU CB C 13 46.893 0.128 . 1 . . 119 . A 72 LEU CB . 34088 3
160 . 1 1 72 72 LEU N N 15 125.080 0.08 . 1 . . 981 . A 72 LEU N . 34088 3
161 . 1 1 73 73 GLU H H 1 9.738 0.022 . 1 . . 973 . A 73 GLU H . 34088 3
162 . 1 1 73 73 GLU CA C 13 55.969 0.041 . 1 . . 543 . A 73 GLU CA . 34088 3
163 . 1 1 73 73 GLU CB C 13 34.711 0.069 . 1 . . 1188 . A 73 GLU CB . 34088 3
164 . 1 1 73 73 GLU N N 15 121.954 0.199 . 1 . . 544 . A 73 GLU N . 34088 3
165 . 1 1 74 74 VAL H H 1 9.403 0.023 . 1 . . 954 . A 74 VAL H . 34088 3
166 . 1 1 74 74 VAL C C 13 173.592 . . 1 . . 765 . A 74 VAL C . 34088 3
167 . 1 1 74 74 VAL CA C 13 60.921 0.075 . 1 . . 689 . A 74 VAL CA . 34088 3
168 . 1 1 74 74 VAL CB C 13 35.393 0.064 . 1 . . 686 . A 74 VAL CB . 34088 3
169 . 1 1 74 74 VAL N N 15 120.099 0.17 . 1 . . 934 . A 74 VAL N . 34088 3
170 . 1 1 75 75 HIS H H 1 9.784 0.021 . 1 . . 721 . A 75 HIS H . 34088 3
171 . 1 1 75 75 HIS C C 13 172.555 0.063 . 1 . . 187 . A 75 HIS C . 34088 3
172 . 1 1 75 75 HIS CA C 13 54.708 0.049 . 1 . . 172 . A 75 HIS CA . 34088 3
173 . 1 1 75 75 HIS CB C 13 32.706 0.176 . 1 . . 171 . A 75 HIS CB . 34088 3
174 . 1 1 75 75 HIS N N 15 125.173 0.229 . 1 . . 352 . A 75 HIS N . 34088 3
175 . 1 1 76 76 TYR H H 1 8.306 0.028 . 1 . . 927 . A 76 TYR H . 34088 3
176 . 1 1 76 76 TYR C C 13 173.420 0.1 . 1 . . 872 . A 76 TYR C . 34088 3
177 . 1 1 76 76 TYR CA C 13 56.631 0.118 . 1 . . 358 . A 76 TYR CA . 34088 3
178 . 1 1 76 76 TYR CB C 13 42.696 0.185 . 1 . . 357 . A 76 TYR CB . 34088 3
179 . 1 1 76 76 TYR N N 15 125.203 0.188 . 1 . . 359 . A 76 TYR N . 34088 3
180 . 1 1 77 77 GLN H H 1 7.880 0.054 . 1 . . 786 . A 77 GLN H . 34088 3
181 . 1 1 77 77 GLN C C 13 173.672 0.117 . 1 . . 873 . A 77 GLN C . 34088 3
182 . 1 1 77 77 GLN CA C 13 54.045 0.091 . 1 . . 785 . A 77 GLN CA . 34088 3
183 . 1 1 77 77 GLN CB C 13 28.210 0.152 . 1 . . 799 . A 77 GLN CB . 34088 3
184 . 1 1 77 77 GLN N N 15 129.042 0.274 . 1 . . 784 . A 77 GLN N . 34088 3
185 . 1 1 78 78 PHE H H 1 8.218 0.032 . 1 . . 1128 . A 78 PHE H . 34088 3
186 . 1 1 78 78 PHE CA C 13 62.517 0.001 . 1 . . 1126 . A 78 PHE CA . 34088 3
187 . 1 1 78 78 PHE N N 15 125.752 0.213 . 1 . . 1127 . A 78 PHE N . 34088 3
188 . 1 1 85 85 SER CA C 13 57.830 . . 1 . . 419 . A 85 SER CA . 34088 3
189 . 1 1 85 85 SER CB C 13 67.028 . . 1 . . 1273 . A 85 SER CB . 34088 3
190 . 1 1 86 86 PHE H H 1 8.672 0.037 . 1 . . 1112 . A 86 PHE H . 34088 3
191 . 1 1 86 86 PHE CA C 13 58.827 0.013 . 1 . . 346 . A 86 PHE CA . 34088 3
192 . 1 1 86 86 PHE CB C 13 44.681 . . 1 . . 1287 . A 86 PHE CB . 34088 3
193 . 1 1 86 86 PHE N N 15 121.766 0.147 . 1 . . 347 . A 86 PHE N . 34088 3
194 . 1 1 87 87 GLY H H 1 8.800 0.065 . 1 . . 1114 . A 87 GLY H . 34088 3
195 . 1 1 87 87 GLY C C 13 170.426 . . 1 . . 387 . A 87 GLY C . 34088 3
196 . 1 1 87 87 GLY CA C 13 45.235 0.133 . 1 . . 388 . A 87 GLY CA . 34088 3
197 . 1 1 87 87 GLY N N 15 118.463 0.071 . 1 . . 1113 . A 87 GLY N . 34088 3
198 . 1 1 88 88 LEU H H 1 7.951 0.04 . 1 . . 717 . A 88 LEU H . 34088 3
199 . 1 1 88 88 LEU C C 13 174.248 0.123 . 1 . . 78 . A 88 LEU C . 34088 3
200 . 1 1 88 88 LEU CA C 13 54.782 0.116 . 1 . . 87 . A 88 LEU CA . 34088 3
201 . 1 1 88 88 LEU CB C 13 48.721 0.187 . 1 . . 77 . A 88 LEU CB . 34088 3
202 . 1 1 88 88 LEU N N 15 117.112 0.128 . 1 . . 522 . A 88 LEU N . 34088 3
203 . 1 1 89 89 THR H H 1 8.536 0.029 . 1 . . 733 . A 89 THR H . 34088 3
204 . 1 1 89 89 THR C C 13 174.717 . . 1 . . 531 . A 89 THR C . 34088 3
205 . 1 1 89 89 THR CA C 13 62.192 0.121 . 1 . . 20 . A 89 THR CA . 34088 3
206 . 1 1 89 89 THR CB C 13 71.353 0.08 . 1 . . 21 . A 89 THR CB . 34088 3
207 . 1 1 89 89 THR N N 15 121.846 0.349 . 1 . . 465 . A 89 THR N . 34088 3
208 . 1 1 90 90 GLY H H 1 9.600 0.028 . 1 . . 735 . A 90 GLY H . 34088 3
209 . 1 1 90 90 GLY C C 13 172.835 0.09 . 1 . . 528 . A 90 GLY C . 34088 3
210 . 1 1 90 90 GLY CA C 13 44.576 0.125 . 1 . . 529 . A 90 GLY CA . 34088 3
211 . 1 1 90 90 GLY N N 15 113.639 0.096 . 1 . . 530 . A 90 GLY N . 34088 3
212 . 1 1 91 91 GLY H H 1 9.435 0.042 . 1 . . 668 . A 91 GLY H . 34088 3
213 . 1 1 91 91 GLY C C 13 170.333 0.083 . 1 . . 367 . A 91 GLY C . 34088 3
214 . 1 1 91 91 GLY CA C 13 46.398 0.113 . 1 . . 368 . A 91 GLY CA . 34088 3
215 . 1 1 91 91 GLY N N 15 109.198 0.1 . 1 . . 369 . A 91 GLY N . 34088 3
216 . 1 1 92 92 PHE H H 1 9.227 0.027 . 1 . . 720 . A 92 PHE H . 34088 3
217 . 1 1 92 92 PHE C C 13 173.312 . . 1 . . 904 . A 92 PHE C . 34088 3
218 . 1 1 92 92 PHE CA C 13 57.355 0.093 . 1 . . 575 . A 92 PHE CA . 34088 3
219 . 1 1 92 92 PHE CB C 13 43.749 0.138 . 1 . . 574 . A 92 PHE CB . 34088 3
220 . 1 1 92 92 PHE N N 15 120.609 0.121 . 1 . . 576 . A 92 PHE N . 34088 3
221 . 1 1 93 93 ARG H H 1 7.650 0.024 . 1 . . 902 . A 93 ARG H . 34088 3
222 . 1 1 93 93 ARG C C 13 174.995 . . 1 . . 551 . A 93 ARG C . 34088 3
223 . 1 1 93 93 ARG CA C 13 54.342 0.092 . 1 . . 435 . A 93 ARG CA . 34088 3
224 . 1 1 93 93 ARG CB C 13 36.815 0.049 . 1 . . 434 . A 93 ARG CB . 34088 3
225 . 1 1 93 93 ARG N N 15 124.041 0.264 . 1 . . 903 . A 93 ARG N . 34088 3
226 . 1 1 94 94 ASN H H 1 7.654 0.043 . 1 . . 828 . A 94 ASN H . 34088 3
227 . 1 1 94 94 ASN CA C 13 53.460 0.083 . 1 . . 827 . A 94 ASN CA . 34088 3
228 . 1 1 94 94 ASN N N 15 117.282 0.258 . 1 . . 826 . A 94 ASN N . 34088 3
229 . 1 1 95 95 TYR H H 1 9.527 0.034 . 1 . . 858 . A 95 TYR H . 34088 3
230 . 1 1 95 95 TYR C C 13 175.208 . . 1 . . 1180 . A 95 TYR C . 34088 3
231 . 1 1 95 95 TYR CA C 13 56.915 0.02 . 1 . . 857 . A 95 TYR CA . 34088 3
232 . 1 1 95 95 TYR N N 15 122.931 0.11 . 1 . . 310 . A 95 TYR N . 34088 3
233 . 1 1 96 96 GLY H H 1 9.262 0.042 . 1 . . 1117 . A 96 GLY H . 34088 3
234 . 1 1 96 96 GLY C C 13 171.937 . . 1 . . 581 . A 96 GLY C . 34088 3
235 . 1 1 96 96 GLY CA C 13 45.952 0.098 . 1 . . 582 . A 96 GLY CA . 34088 3
236 . 1 1 96 96 GLY N N 15 112.425 0.453 . 1 . . 1116 . A 96 GLY N . 34088 3
237 . 1 1 97 97 TYR H H 1 8.554 0.055 . 1 . . 763 . A 97 TYR H . 34088 3
238 . 1 1 97 97 TYR CA C 13 59.642 0.1 . 1 . . 327 . A 97 TYR CA . 34088 3
239 . 1 1 97 97 TYR N N 15 122.857 0.28 . 1 . . 1121 . A 97 TYR N . 34088 3
240 . 1 1 107 107 THR CA C 13 60.249 0.185 . 1 . . 43 . A 107 THR CA . 34088 3
241 . 1 1 108 108 ALA H H 1 8.122 0.018 . 1 . . 731 . A 108 ALA H . 34088 3
242 . 1 1 108 108 ALA C C 13 176.165 0.092 . 1 . . 284 . A 108 ALA C . 34088 3
243 . 1 1 108 108 ALA CA C 13 52.263 0.051 . 1 . . 282 . A 108 ALA CA . 34088 3
244 . 1 1 108 108 ALA N N 15 120.759 0.29 . 1 . . 283 . A 108 ALA N . 34088 3
245 . 1 1 109 109 ASN H H 1 10.058 0.106 . 1 . . 842 . A 109 ASN H . 34088 3
246 . 1 1 109 109 ASN C C 13 172.101 0.025 . 1 . . 1136 . A 109 ASN C . 34088 3
247 . 1 1 109 109 ASN CA C 13 54.550 0.072 . 1 . . 841 . A 109 ASN CA . 34088 3
248 . 1 1 109 109 ASN CB C 13 43.175 . . 1 . . 590 . A 109 ASN CB . 34088 3
249 . 1 1 109 109 ASN N N 15 121.401 0.23 . 1 . . 840 . A 109 ASN N . 34088 3
250 . 1 1 110 110 MET H H 1 8.606 0.031 . 1 . . 803 . A 110 MET H . 34088 3
251 . 1 1 110 110 MET C C 13 175.521 0.167 . 1 . . 1135 . A 110 MET C . 34088 3
252 . 1 1 110 110 MET CA C 13 53.697 0.056 . 1 . . 802 . A 110 MET CA . 34088 3
253 . 1 1 110 110 MET CB C 13 36.923 0.073 . 1 . . 804 . A 110 MET CB . 34088 3
254 . 1 1 110 110 MET N N 15 126.242 0.181 . 1 . . 547 . A 110 MET N . 34088 3
255 . 1 1 111 111 GLN H H 1 9.682 0.043 . 1 . . 797 . A 111 GLN H . 34088 3
256 . 1 1 111 111 GLN C C 13 175.184 0.052 . 1 . . 1140 . A 111 GLN C . 34088 3
257 . 1 1 111 111 GLN CA C 13 56.819 0.132 . 1 . . 796 . A 111 GLN CA . 34088 3
258 . 1 1 111 111 GLN CB C 13 30.837 0.08 . 1 . . 798 . A 111 GLN CB . 34088 3
259 . 1 1 111 111 GLN N N 15 124.661 0.113 . 1 . . 795 . A 111 GLN N . 34088 3
260 . 1 1 112 112 ARG H H 1 8.522 0.032 . 1 . . 1087 . A 112 ARG H . 34088 3
261 . 1 1 112 112 ARG C C 13 175.199 0.047 . 1 . . 1141 . A 112 ARG C . 34088 3
262 . 1 1 112 112 ARG CA C 13 54.692 0.036 . 1 . . 1134 . A 112 ARG CA . 34088 3
263 . 1 1 112 112 ARG CB C 13 36.165 0.046 . 1 . . 1016 . A 112 ARG CB . 34088 3
264 . 1 1 112 112 ARG N N 15 118.356 0.165 . 1 . . 1086 . A 112 ARG N . 34088 3
265 . 1 1 113 113 TRP H H 1 9.678 0.029 . 1 . . 758 . A 113 TRP H . 34088 3
266 . 1 1 113 113 TRP C C 13 175.358 0.051 . 1 . . 189 . A 113 TRP C . 34088 3
267 . 1 1 113 113 TRP CA C 13 56.234 0.07 . 1 . . 143 . A 113 TRP CA . 34088 3
268 . 1 1 113 113 TRP CB C 13 31.863 0.211 . 1 . . 142 . A 113 TRP CB . 34088 3
269 . 1 1 113 113 TRP N N 15 132.863 0.151 . 1 . . 759 . A 113 TRP N . 34088 3
270 . 1 1 114 114 LYS H H 1 9.170 0.054 . 1 . . 1055 . A 114 LYS H . 34088 3
271 . 1 1 114 114 LYS C C 13 175.154 . . 1 . . 1181 . A 114 LYS C . 34088 3
272 . 1 1 114 114 LYS CA C 13 55.401 0.005 . 1 . . 1142 . A 114 LYS CA . 34088 3
273 . 1 1 114 114 LYS CB C 13 39.334 0.076 . 1 . . 1054 . A 114 LYS CB . 34088 3
274 . 1 1 114 114 LYS N N 15 124.432 0.253 . 1 . . 1053 . A 114 LYS N . 34088 3
275 . 1 1 115 115 ILE H H 1 8.680 0.01 . 1 . . 1052 . A 115 ILE H . 34088 3
276 . 1 1 115 115 ILE C C 13 175.269 . . 1 . . 503 . A 115 ILE C . 34088 3
277 . 1 1 115 115 ILE CA C 13 60.077 0.056 . 1 . . 1051 . A 115 ILE CA . 34088 3
278 . 1 1 115 115 ILE CB C 13 41.682 0.131 . 1 . . 199 . A 115 ILE CB . 34088 3
279 . 1 1 115 115 ILE N N 15 123.647 0.02 . 1 . . 632 . A 115 ILE N . 34088 3
280 . 1 1 116 116 ALA H H 1 9.096 0.039 . 1 . . 729 . A 116 ALA H . 34088 3
281 . 1 1 116 116 ALA C C 13 176.561 . . 1 . . 268 . A 116 ALA C . 34088 3
282 . 1 1 116 116 ALA CA C 13 50.378 0.061 . 1 . . 255 . A 116 ALA CA . 34088 3
283 . 1 1 116 116 ALA CB C 13 23.835 0.349 . 1 . . 254 . A 116 ALA CB . 34088 3
284 . 1 1 116 116 ALA N N 15 125.711 0.136 . 1 . . 264 . A 116 ALA N . 34088 3
285 . 1 1 117 117 PRO C C 13 176.076 . . 1 . . 704 . A 117 PRO C . 34088 3
286 . 1 1 117 117 PRO CA C 13 62.811 0.046 . 1 . . 62 . A 117 PRO CA . 34088 3
287 . 1 1 117 117 PRO CB C 13 34.289 0.074 . 1 . . 60 . A 117 PRO CB . 34088 3
288 . 1 1 118 118 ASP H H 1 8.805 0.079 . 1 . . 774 . A 118 ASP H . 34088 3
289 . 1 1 118 118 ASP C C 13 173.902 0.071 . 1 . . 665 . A 118 ASP C . 34088 3
290 . 1 1 118 118 ASP CA C 13 54.198 0.065 . 1 . . 663 . A 118 ASP CA . 34088 3
291 . 1 1 118 118 ASP CB C 13 45.055 . . 1 . . 662 . A 118 ASP CB . 34088 3
292 . 1 1 118 118 ASP N N 15 116.828 0.229 . 1 . . 699 . A 118 ASP N . 34088 3
293 . 1 1 119 119 TRP H H 1 8.251 0.035 . 1 . . 928 . A 119 TRP H . 34088 3
294 . 1 1 119 119 TRP C C 13 175.507 . . 1 . . 191 . A 119 TRP C . 34088 3
295 . 1 1 119 119 TRP CA C 13 57.441 0.118 . 1 . . 151 . A 119 TRP CA . 34088 3
296 . 1 1 119 119 TRP CB C 13 33.164 0.08 . 1 . . 150 . A 119 TRP CB . 34088 3
297 . 1 1 119 119 TRP N N 15 115.279 0.207 . 1 . . 929 . A 119 TRP N . 34088 3
298 . 1 1 120 120 ASP H H 1 8.367 0.067 . 1 . . 1038 . A 120 ASP H . 34088 3
299 . 1 1 120 120 ASP C C 13 174.970 . . 1 . . 1149 . A 120 ASP C . 34088 3
300 . 1 1 120 120 ASP CA C 13 55.554 0.08 . 1 . . 1203 . A 120 ASP CA . 34088 3
301 . 1 1 120 120 ASP CB C 13 43.979 0.121 . 1 . . 1037 . A 120 ASP CB . 34088 3
302 . 1 1 120 120 ASP N N 15 119.570 0.22 . 1 . . 1036 . A 120 ASP N . 34088 3
303 . 1 1 121 121 VAL H H 1 9.790 0.068 . 1 . . 997 . A 121 VAL H . 34088 3
304 . 1 1 121 121 VAL CA C 13 61.210 0.279 . 1 . . 1206 . A 121 VAL CA . 34088 3
305 . 1 1 121 121 VAL CB C 13 35.809 0.001 . 1 . . 1207 . A 121 VAL CB . 34088 3
306 . 1 1 121 121 VAL N N 15 126.806 0.274 . 1 . . 996 . A 121 VAL N . 34088 3
307 . 1 1 122 122 LYS H H 1 8.636 0.043 . 1 . . 783 . A 122 LYS H . 34088 3
308 . 1 1 122 122 LYS CA C 13 58.666 0.112 . 1 . . 782 . A 122 LYS CA . 34088 3
309 . 1 1 122 122 LYS CB C 13 33.819 0.058 . 1 . . 235 . A 122 LYS CB . 34088 3
310 . 1 1 122 122 LYS N N 15 128.383 0.206 . 1 . . 781 . A 122 LYS N . 34088 3
311 . 1 1 123 123 LEU C C 13 177.658 . . 1 . . 93 . A 123 LEU C . 34088 3
312 . 1 1 123 123 LEU CA C 13 56.358 0.215 . 1 . . 98 . A 123 LEU CA . 34088 3
313 . 1 1 123 123 LEU CB C 13 42.675 0.009 . 1 . . 92 . A 123 LEU CB . 34088 3
314 . 1 1 124 124 THR H H 1 8.683 0.037 . 1 . . 710 . A 124 THR H . 34088 3
315 . 1 1 124 124 THR CA C 13 59.976 0.101 . 1 . . 40 . A 124 THR CA . 34088 3
316 . 1 1 124 124 THR CB C 13 72.675 0.033 . 1 . . 41 . A 124 THR CB . 34088 3
317 . 1 1 124 124 THR N N 15 109.374 0.313 . 1 . . 460 . A 124 THR N . 34088 3
318 . 1 1 126 126 ASP C C 13 173.973 . . 1 . . 1281 . A 126 ASP C . 34088 3
319 . 1 1 126 126 ASP CA C 13 54.411 . . 1 . . 1279 . A 126 ASP CA . 34088 3
320 . 1 1 126 126 ASP CB C 13 44.041 . . 1 . . 1280 . A 126 ASP CB . 34088 3
321 . 1 1 127 127 LEU H H 1 7.718 0.035 . 1 . . 810 . A 127 LEU H . 34088 3
322 . 1 1 127 127 LEU C C 13 175.154 0.026 . 1 . . 131 . A 127 LEU C . 34088 3
323 . 1 1 127 127 LEU CA C 13 54.520 0.116 . 1 . . 124 . A 127 LEU CA . 34088 3
324 . 1 1 127 127 LEU CB C 13 46.006 0.035 . 1 . . 111 . A 127 LEU CB . 34088 3
325 . 1 1 127 127 LEU N N 15 122.794 0.28 . 1 . . 706 . A 127 LEU N . 34088 3
326 . 1 1 128 128 ARG H H 1 9.243 0.047 . 1 . . 1147 . A 128 ARG H . 34088 3
327 . 1 1 128 128 ARG C C 13 174.444 0.096 . 1 . . 1148 . A 128 ARG C . 34088 3
328 . 1 1 128 128 ARG CA C 13 54.975 0.065 . 1 . . 932 . A 128 ARG CA . 34088 3
329 . 1 1 128 128 ARG CB C 13 34.541 0.019 . 1 . . 931 . A 128 ARG CB . 34088 3
330 . 1 1 128 128 ARG N N 15 124.159 0.161 . 1 . . 1146 . A 128 ARG N . 34088 3
331 . 1 1 129 129 PHE H H 1 9.346 0.073 . 1 . . 955 . A 129 PHE H . 34088 3
332 . 1 1 129 129 PHE C C 13 173.613 0.054 . 1 . . 933 . A 129 PHE C . 34088 3
333 . 1 1 129 129 PHE CA C 13 54.900 0.257 . 1 . . 930 . A 129 PHE CA . 34088 3
334 . 1 1 129 129 PHE CB C 13 42.342 0.065 . 1 . . 288 . A 129 PHE CB . 34088 3
335 . 1 1 129 129 PHE N N 15 122.054 0.181 . 1 . . 289 . A 129 PHE N . 34088 3
336 . 1 1 130 130 ASN H H 1 8.996 0.094 . 1 . . 956 . A 130 ASN H . 34088 3
337 . 1 1 130 130 ASN C C 13 173.990 0.11 . 1 . . 877 . A 130 ASN C . 34088 3
338 . 1 1 130 130 ASN CA C 13 51.153 0.052 . 1 . . 878 . A 130 ASN CA . 34088 3
339 . 1 1 130 130 ASN CB C 13 42.378 0.035 . 1 . . 876 . A 130 ASN CB . 34088 3
340 . 1 1 130 130 ASN N N 15 123.787 0.278 . 1 . . 875 . A 130 ASN N . 34088 3
341 . 1 1 131 131 GLY H H 1 7.131 0.062 . 1 . . 836 . A 131 GLY H . 34088 3
342 . 1 1 131 131 GLY C C 13 169.144 0.052 . 1 . . 871 . A 131 GLY C . 34088 3
343 . 1 1 131 131 GLY CA C 13 45.711 0.127 . 1 . . 835 . A 131 GLY CA . 34088 3
344 . 1 1 131 131 GLY N N 15 104.690 0.425 . 1 . . 834 . A 131 GLY N . 34088 3
345 . 1 1 132 132 TRP H H 1 6.905 0.055 . 1 . . 746 . A 132 TRP H . 34088 3
346 . 1 1 132 132 TRP C C 13 174.854 0.068 . 1 . . 188 . A 132 TRP C . 34088 3
347 . 1 1 132 132 TRP CA C 13 55.165 0.076 . 1 . . 137 . A 132 TRP CA . 34088 3
348 . 1 1 132 132 TRP CB C 13 31.854 0.165 . 1 . . 136 . A 132 TRP CB . 34088 3
349 . 1 1 132 132 TRP N N 15 113.240 0.133 . 1 . . 745 . A 132 TRP N . 34088 3
350 . 1 1 133 133 LEU H H 1 8.714 0.051 . 1 . . 916 . A 133 LEU H . 34088 3
351 . 1 1 133 133 LEU C C 13 173.667 . . 1 . . 918 . A 133 LEU C . 34088 3
352 . 1 1 133 133 LEU CA C 13 55.491 0.235 . 1 . . 917 . A 133 LEU CA . 34088 3
353 . 1 1 133 133 LEU CB C 13 45.434 0.045 . 1 . . 915 . A 133 LEU CB . 34088 3
354 . 1 1 133 133 LEU N N 15 124.688 0.255 . 1 . . 536 . A 133 LEU N . 34088 3
355 . 1 1 134 134 SER H H 1 10.277 0.04 . 1 . . 670 . A 134 SER H . 34088 3
356 . 1 1 134 134 SER C C 13 172.918 . . 1 . . 874 . A 134 SER C . 34088 3
357 . 1 1 134 134 SER CA C 13 57.291 0.241 . 1 . . 414 . A 134 SER CA . 34088 3
358 . 1 1 134 134 SER CB C 13 67.632 0.118 . 1 . . 825 . A 134 SER CB . 34088 3
359 . 1 1 134 134 SER N N 15 119.152 0.268 . 1 . . 415 . A 134 SER N . 34088 3
360 . 1 1 135 135 MET H H 1 8.798 0.034 . 1 . . 960 . A 135 MET H . 34088 3
361 . 1 1 135 135 MET CA C 13 54.411 0.044 . 1 . . 1118 . A 135 MET CA . 34088 3
362 . 1 1 135 135 MET N N 15 123.950 0.469 . 1 . . 961 . A 135 MET N . 34088 3
363 . 1 1 136 136 TYR H H 1 9.359 0.042 . 1 . . 1022 . A 136 TYR H . 34088 3
364 . 1 1 136 136 TYR CA C 13 54.796 0.165 . 1 . . 1151 . A 136 TYR CA . 34088 3
365 . 1 1 136 136 TYR CB C 13 42.271 0.122 . 1 . . 1021 . A 136 TYR CB . 34088 3
366 . 1 1 136 136 TYR N N 15 119.566 0.262 . 1 . . 1020 . A 136 TYR N . 34088 3
367 . 1 1 137 137 LYS H H 1 8.934 0.05 . 1 . . 1125 . A 137 LYS H . 34088 3
368 . 1 1 137 137 LYS CA C 13 53.168 0.037 . 1 . . 223 . A 137 LYS CA . 34088 3
369 . 1 1 137 137 LYS CB C 13 34.797 . . 1 . . 237 . A 137 LYS CB . 34088 3
370 . 1 1 137 137 LYS N N 15 119.891 0.134 . 1 . . 1124 . A 137 LYS N . 34088 3
371 . 1 1 138 138 PHE H H 1 9.102 0.027 . 1 . . 1154 . A 138 PHE H . 34088 3
372 . 1 1 138 138 PHE CA C 13 57.243 0.037 . 1 . . 1152 . A 138 PHE CA . 34088 3
373 . 1 1 138 138 PHE CB C 13 41.776 0.123 . 1 . . 1143 . A 138 PHE CB . 34088 3
374 . 1 1 138 138 PHE N N 15 124.901 0.271 . 1 . . 1153 . A 138 PHE N . 34088 3
375 . 1 1 139 139 ALA H H 1 9.223 0.018 . 1 . . 1120 . A 139 ALA H . 34088 3
376 . 1 1 139 139 ALA C C 13 175.584 0.066 . 1 . . 1139 . A 139 ALA C . 34088 3
377 . 1 1 139 139 ALA CA C 13 52.374 0.063 . 1 . . 1137 . A 139 ALA CA . 34088 3
378 . 1 1 139 139 ALA CB C 13 24.041 0.036 . 1 . . 1138 . A 139 ALA CB . 34088 3
379 . 1 1 139 139 ALA N N 15 123.330 0.067 . 1 . . 1119 . A 139 ALA N . 34088 3
380 . 1 1 140 140 ASN H H 1 8.592 0.048 . 1 . . 716 . A 140 ASN H . 34088 3
381 . 1 1 140 140 ASN C C 13 172.446 . . 1 . . 1155 . A 140 ASN C . 34088 3
382 . 1 1 140 140 ASN CA C 13 57.567 0.081 . 1 . . 643 . A 140 ASN CA . 34088 3
383 . 1 1 140 140 ASN CB C 13 38.435 0.112 . 1 . . 642 . A 140 ASN CB . 34088 3
384 . 1 1 140 140 ASN N N 15 111.278 0.335 . 1 . . 644 . A 140 ASN N . 34088 3
385 . 1 1 141 141 ASP H H 1 8.386 0.056 . 1 . . 889 . A 141 ASP H . 34088 3
386 . 1 1 141 141 ASP C C 13 177.802 . . 1 . . 770 . A 141 ASP C . 34088 3
387 . 1 1 141 141 ASP CA C 13 56.279 0.079 . 1 . . 888 . A 141 ASP CA . 34088 3
388 . 1 1 141 141 ASP N N 15 112.204 0.299 . 1 . . 887 . A 141 ASP N . 34088 3
389 . 1 1 142 142 LEU H H 1 8.290 0.047 . 1 . . 757 . A 142 LEU H . 34088 3
390 . 1 1 142 142 LEU C C 13 181.379 . . 1 . . 90 . A 142 LEU C . 34088 3
391 . 1 1 142 142 LEU CA C 13 58.094 0.092 . 1 . . 97 . A 142 LEU CA . 34088 3
392 . 1 1 142 142 LEU CB C 13 39.789 0.059 . 1 . . 89 . A 142 LEU CB . 34088 3
393 . 1 1 142 142 LEU N N 15 116.591 0.164 . 1 . . 478 . A 142 LEU N . 34088 3
394 . 1 1 143 143 ASN H H 1 8.937 0.033 . 1 . . 722 . A 143 ASN H . 34088 3
395 . 1 1 143 143 ASN C C 13 177.084 . . 1 . . 475 . A 143 ASN C . 34088 3
396 . 1 1 143 143 ASN CA C 13 55.798 0.151 . 1 . . 473 . A 143 ASN CA . 34088 3
397 . 1 1 143 143 ASN CB C 13 37.415 0.376 . 1 . . 472 . A 143 ASN CB . 34088 3
398 . 1 1 143 143 ASN N N 15 115.878 0.335 . 1 . . 474 . A 143 ASN N . 34088 3
399 . 1 1 144 144 THR H H 1 7.621 0.031 . 1 . . 736 . A 144 THR H . 34088 3
400 . 1 1 144 144 THR C C 13 175.421 . . 1 . . 471 . A 144 THR C . 34088 3
401 . 1 1 144 144 THR CA C 13 65.632 0.163 . 1 . . 1 . A 144 THR CA . 34088 3
402 . 1 1 144 144 THR CB C 13 69.337 0.03 . 1 . . 2 . A 144 THR CB . 34088 3
403 . 1 1 144 144 THR N N 15 116.189 0.105 . 1 . . 463 . A 144 THR N . 34088 3
404 . 1 1 145 145 THR H H 1 8.599 0.069 . 1 . . 748 . A 145 THR H . 34088 3
405 . 1 1 145 145 THR C C 13 177.406 . . 1 . . 483 . A 145 THR C . 34088 3
406 . 1 1 145 145 THR CA C 13 63.031 0.047 . 1 . . 13 . A 145 THR CA . 34088 3
407 . 1 1 145 145 THR CB C 13 69.965 0.071 . 1 . . 14 . A 145 THR CB . 34088 3
408 . 1 1 145 145 THR N N 15 110.152 0.314 . 1 . . 464 . A 145 THR N . 34088 3
409 . 1 1 146 146 GLY H H 1 8.272 0.04 . 1 . . 744 . A 146 GLY H . 34088 3
410 . 1 1 146 146 GLY C C 13 174.108 0.187 . 1 . . 375 . A 146 GLY C . 34088 3
411 . 1 1 146 146 GLY CA C 13 46.111 0.153 . 1 . . 376 . A 146 GLY CA . 34088 3
412 . 1 1 146 146 GLY N N 15 109.146 0.199 . 1 . . 377 . A 146 GLY N . 34088 3
413 . 1 1 147 147 TYR H H 1 7.090 0.034 . 1 . . 719 . A 147 TYR H . 34088 3
414 . 1 1 147 147 TYR CA C 13 58.575 0.06 . 1 . . 584 . A 147 TYR CA . 34088 3
415 . 1 1 147 147 TYR CB C 13 39.192 0.006 . 1 . . 583 . A 147 TYR CB . 34088 3
416 . 1 1 147 147 TYR N N 15 120.290 0.233 . 1 . . 585 . A 147 TYR N . 34088 3
417 . 1 1 148 148 ALA H H 1 8.186 0.019 . 1 . . 919 . A 148 ALA H . 34088 3
418 . 1 1 148 148 ALA C C 13 178.941 0.011 . 1 . . 280 . A 148 ALA C . 34088 3
419 . 1 1 148 148 ALA CA C 13 51.354 0.093 . 1 . . 247 . A 148 ALA CA . 34088 3
420 . 1 1 148 148 ALA CB C 13 18.071 0.022 . 1 . . 246 . A 148 ALA CB . 34088 3
421 . 1 1 148 148 ALA N N 15 122.780 0.235 . 1 . . 553 . A 148 ALA N . 34088 3
422 . 1 1 149 149 ASP H H 1 8.260 0.042 . 1 . . 749 . A 149 ASP H . 34088 3
423 . 1 1 149 149 ASP C C 13 176.823 . . 1 . . 767 . A 149 ASP C . 34088 3
424 . 1 1 149 149 ASP CA C 13 56.910 0.244 . 1 . . 555 . A 149 ASP CA . 34088 3
425 . 1 1 149 149 ASP CB C 13 41.713 0.174 . 1 . . 554 . A 149 ASP CB . 34088 3
426 . 1 1 149 149 ASP N N 15 115.492 0.187 . 1 . . 556 . A 149 ASP N . 34088 3
427 . 1 1 150 150 THR H H 1 8.440 0.037 . 1 . . 711 . A 150 THR H . 34088 3
428 . 1 1 150 150 THR C C 13 173.373 . . 1 . . 603 . A 150 THR C . 34088 3
429 . 1 1 150 150 THR CA C 13 62.437 0.065 . 1 . . 22 . A 150 THR CA . 34088 3
430 . 1 1 150 150 THR CB C 13 71.321 0.02 . 1 . . 23 . A 150 THR CB . 34088 3
431 . 1 1 150 150 THR N N 15 118.110 0.252 . 1 . . 461 . A 150 THR N . 34088 3
432 . 1 1 151 151 ARG H H 1 8.939 0.027 . 1 . . 813 . A 151 ARG H . 34088 3
433 . 1 1 151 151 ARG C C 13 173.799 . . 1 . . 552 . A 151 ARG C . 34088 3
434 . 1 1 151 151 ARG CA C 13 54.908 0.156 . 1 . . 812 . A 151 ARG CA . 34088 3
435 . 1 1 151 151 ARG CB C 13 31.402 0.007 . 1 . . 457 . A 151 ARG CB . 34088 3
436 . 1 1 151 151 ARG N N 15 124.849 0.193 . 1 . . 811 . A 151 ARG N . 34088 3
437 . 1 1 152 152 VAL C C 13 173.566 . . 1 . . 964 . A 152 VAL C . 34088 3
438 . 1 1 152 152 VAL CA C 13 59.958 0.034 . 1 . . 1217 . A 152 VAL CA . 34088 3
439 . 1 1 152 152 VAL CB C 13 35.676 . . 1 . . 977 . A 152 VAL CB . 34088 3
440 . 1 1 153 153 GLU H H 1 9.113 0.045 . 1 . . 963 . A 153 GLU H . 34088 3
441 . 1 1 153 153 GLU C C 13 173.673 0.073 . 1 . . 775 . A 153 GLU C . 34088 3
442 . 1 1 153 153 GLU CA C 13 54.102 0.151 . 1 . . 666 . A 153 GLU CA . 34088 3
443 . 1 1 153 153 GLU CB C 13 36.252 0.123 . 1 . . 621 . A 153 GLU CB . 34088 3
444 . 1 1 153 153 GLU N N 15 127.780 0.262 . 1 . . 962 . A 153 GLU N . 34088 3
445 . 1 1 154 154 THR H H 1 9.017 0.033 . 1 . . 737 . A 154 THR H . 34088 3
446 . 1 1 154 154 THR C C 13 169.434 0.101 . 1 . . 481 . A 154 THR C . 34088 3
447 . 1 1 154 154 THR CA C 13 59.985 0.151 . 1 . . 28 . A 154 THR CA . 34088 3
448 . 1 1 154 154 THR CB C 13 70.206 0.02 . 1 . . 29 . A 154 THR CB . 34088 3
449 . 1 1 154 154 THR N N 15 122.099 0.196 . 1 . . 469 . A 154 THR N . 34088 3
450 . 1 1 155 155 GLU H H 1 5.427 0.09 . 1 . . 738 . A 155 GLU H . 34088 3
451 . 1 1 155 155 GLU C C 13 175.891 0.02 . 1 . . 870 . A 155 GLU C . 34088 3
452 . 1 1 155 155 GLU CA C 13 56.231 0.166 . 1 . . 619 . A 155 GLU CA . 34088 3
453 . 1 1 155 155 GLU CB C 13 31.004 0.058 . 1 . . 678 . A 155 GLU CB . 34088 3
454 . 1 1 155 155 GLU N N 15 123.928 0.127 . 1 . . 620 . A 155 GLU N . 34088 3
455 . 1 1 156 156 THR H H 1 8.938 0.081 . 1 . . 976 . A 156 THR H . 34088 3
456 . 1 1 156 156 THR C C 13 171.855 0.12 . 1 . . 482 . A 156 THR C . 34088 3
457 . 1 1 156 156 THR CA C 13 60.247 0.109 . 1 . . 33 . A 156 THR CA . 34088 3
458 . 1 1 156 156 THR CB C 13 70.938 0.037 . 1 . . 32 . A 156 THR CB . 34088 3
459 . 1 1 156 156 THR N N 15 122.628 0.443 . 1 . . 468 . A 156 THR N . 34088 3
460 . 1 1 157 157 GLY H H 1 8.728 0.037 . 1 . . 751 . A 157 GLY H . 34088 3
461 . 1 1 157 157 GLY C C 13 172.017 0.095 . 1 . . 361 . A 157 GLY C . 34088 3
462 . 1 1 157 157 GLY CA C 13 47.902 0.083 . 1 . . 362 . A 157 GLY CA . 34088 3
463 . 1 1 157 157 GLY N N 15 113.814 0.166 . 1 . . 363 . A 157 GLY N . 34088 3
464 . 1 1 158 158 LEU H H 1 8.533 0.03 . 1 . . 732 . A 158 LEU H . 34088 3
465 . 1 1 158 158 LEU C C 13 176.077 0.052 . 1 . . 134 . A 158 LEU C . 34088 3
466 . 1 1 158 158 LEU CA C 13 53.091 0.106 . 1 . . 125 . A 158 LEU CA . 34088 3
467 . 1 1 158 158 LEU CB C 13 46.114 0.064 . 1 . . 113 . A 158 LEU CB . 34088 3
468 . 1 1 158 158 LEU N N 15 118.442 0.109 . 1 . . 490 . A 158 LEU N . 34088 3
469 . 1 1 159 159 GLN H H 1 9.100 0.053 . 1 . . 822 . A 159 GLN H . 34088 3
470 . 1 1 159 159 GLN C C 13 174.775 0.107 . 1 . . 772 . A 159 GLN C . 34088 3
471 . 1 1 159 159 GLN CA C 13 54.016 0.054 . 1 . . 652 . A 159 GLN CA . 34088 3
472 . 1 1 159 159 GLN CB C 13 32.698 0.146 . 1 . . 653 . A 159 GLN CB . 34088 3
473 . 1 1 159 159 GLN N N 15 120.294 0.202 . 1 . . 821 . A 159 GLN N . 34088 3
474 . 1 1 160 160 TYR H H 1 9.924 0.079 . 1 . . 1169 . A 160 TYR H . 34088 3
475 . 1 1 160 160 TYR C C 13 174.700 0.027 . 1 . . 909 . A 160 TYR C . 34088 3
476 . 1 1 160 160 TYR CA C 13 56.592 0.189 . 1 . . 339 . A 160 TYR CA . 34088 3
477 . 1 1 160 160 TYR CB C 13 42.223 0.239 . 1 . . 338 . A 160 TYR CB . 34088 3
478 . 1 1 160 160 TYR N N 15 130.769 0.166 . 1 . . 340 . A 160 TYR N . 34088 3
479 . 1 1 161 161 THR H H 1 8.329 0.019 . 1 . . 900 . A 161 THR H . 34088 3
480 . 1 1 161 161 THR C C 13 173.817 0.238 . 1 . . 570 . A 161 THR C . 34088 3
481 . 1 1 161 161 THR CA C 13 63.058 0.273 . 1 . . 11 . A 161 THR CA . 34088 3
482 . 1 1 161 161 THR CB C 13 70.046 0.076 . 1 . . 12 . A 161 THR CB . 34088 3
483 . 1 1 161 161 THR N N 15 124.297 0.556 . 1 . . 462 . A 161 THR N . 34088 3
484 . 1 1 162 162 PHE H H 1 8.416 0.095 . 1 . . 924 . A 162 PHE H . 34088 3
485 . 1 1 162 162 PHE C C 13 176.535 . . 1 . . 616 . A 162 PHE C . 34088 3
486 . 1 1 162 162 PHE CA C 13 61.362 0.121 . 1 . . 335 . A 162 PHE CA . 34088 3
487 . 1 1 162 162 PHE CB C 13 39.714 0.001 . 1 . . 334 . A 162 PHE CB . 34088 3
488 . 1 1 162 162 PHE N N 15 125.662 0.49 . 1 . . 336 . A 162 PHE N . 34088 3
489 . 1 1 163 163 ASN H H 1 8.240 0.052 . 1 . . 739 . A 163 ASN H . 34088 3
490 . 1 1 163 163 ASN C C 13 174.168 . . 1 . . 617 . A 163 ASN C . 34088 3
491 . 1 1 163 163 ASN CA C 13 52.962 0.095 . 1 . . 614 . A 163 ASN CA . 34088 3
492 . 1 1 163 163 ASN CB C 13 38.496 . . 1 . . 613 . A 163 ASN CB . 34088 3
493 . 1 1 163 163 ASN N N 15 111.279 0.26 . 1 . . 615 . A 163 ASN N . 34088 3
494 . 1 1 164 164 GLU H H 1 8.931 0.059 . 1 . . 750 . A 164 GLU H . 34088 3
495 . 1 1 164 164 GLU C C 13 176.562 . . 1 . . 611 . A 164 GLU C . 34088 3
496 . 1 1 164 164 GLU CA C 13 59.434 0.082 . 1 . . 567 . A 164 GLU CA . 34088 3
497 . 1 1 164 164 GLU CB C 13 29.117 0.086 . 1 . . 569 . A 164 GLU CB . 34088 3
498 . 1 1 164 164 GLU N N 15 114.643 0.185 . 1 . . 568 . A 164 GLU N . 34088 3
499 . 1 1 165 165 THR H H 1 8.759 0.039 . 1 . . 1213 . A 165 THR H . 34088 3
500 . 1 1 165 165 THR C C 13 173.906 0.075 . 1 . . 612 . A 165 THR C . 34088 3
501 . 1 1 165 165 THR CA C 13 64.578 0.238 . 1 . . 4 . A 165 THR CA . 34088 3
502 . 1 1 165 165 THR CB C 13 70.375 0.066 . 1 . . 5 . A 165 THR CB . 34088 3
503 . 1 1 165 165 THR N N 15 115.985 0.452 . 1 . . 1212 . A 165 THR N . 34088 3
504 . 1 1 166 166 VAL H H 1 7.965 0.046 . 1 . . 920 . A 166 VAL H . 34088 3
505 . 1 1 166 166 VAL C C 13 174.166 . . 1 . . 563 . A 166 VAL C . 34088 3
506 . 1 1 166 166 VAL CA C 13 63.169 0.0 . 1 . . 1385 . A 166 VAL CA . 34088 3
507 . 1 1 166 166 VAL CB C 13 35.006 0.051 . 1 . . 560 . A 166 VAL CB . 34088 3
508 . 1 1 166 166 VAL N N 15 118.966 0.117 . 1 . . 561 . A 166 VAL N . 34088 3
509 . 1 1 167 167 ALA H H 1 8.185 0.032 . 1 . . 672 . A 167 ALA H . 34088 3
510 . 1 1 167 167 ALA C C 13 172.971 0.169 . 1 . . 269 . A 167 ALA C . 34088 3
511 . 1 1 167 167 ALA CA C 13 50.858 0.077 . 1 . . 253 . A 167 ALA CA . 34088 3
512 . 1 1 167 167 ALA CB C 13 23.231 0.125 . 1 . . 252 . A 167 ALA CB . 34088 3
513 . 1 1 167 167 ALA N N 15 128.798 0.237 . 1 . . 263 . A 167 ALA N . 34088 3
514 . 1 1 168 168 LEU H H 1 9.051 0.078 . 1 . . 742 . A 168 LEU H . 34088 3
515 . 1 1 168 168 LEU C C 13 175.678 0.037 . 1 . . 133 . A 168 LEU C . 34088 3
516 . 1 1 168 168 LEU CA C 13 54.262 0.076 . 1 . . 122 . A 168 LEU CA . 34088 3
517 . 1 1 168 168 LEU CB C 13 47.703 0.037 . 1 . . 121 . A 168 LEU CB . 34088 3
518 . 1 1 168 168 LEU N N 15 116.784 0.233 . 1 . . 587 . A 168 LEU N . 34088 3
519 . 1 1 169 169 ARG H H 1 9.418 0.058 . 1 . . 773 . A 169 ARG H . 34088 3
520 . 1 1 169 169 ARG HE H 1 7.140 . . 1 . . 914 . A 169 ARG HE . 34088 3
521 . 1 1 169 169 ARG C C 13 175.680 0.165 . 1 . . 588 . A 169 ARG C . 34088 3
522 . 1 1 169 169 ARG CA C 13 54.829 0.112 . 1 . . 454 . A 169 ARG CA . 34088 3
523 . 1 1 169 169 ARG CB C 13 34.189 0.046 . 1 . . 456 . A 169 ARG CB . 34088 3
524 . 1 1 169 169 ARG CG C 13 27.731 . . 1 . . 453 . A 169 ARG CG . 34088 3
525 . 1 1 169 169 ARG N N 15 124.624 0.236 . 1 . . 589 . A 169 ARG N . 34088 3
526 . 1 1 170 170 VAL H H 1 8.941 0.04 . 1 . . 713 . A 170 VAL H . 34088 3
527 . 1 1 170 170 VAL C C 13 172.992 . . 1 . . 562 . A 170 VAL C . 34088 3
528 . 1 1 170 170 VAL CA C 13 63.064 0.131 . 1 . . 558 . A 170 VAL CA . 34088 3
529 . 1 1 170 170 VAL CB C 13 33.999 0.119 . 1 . . 557 . A 170 VAL CB . 34088 3
530 . 1 1 170 170 VAL N N 15 122.650 0.26 . 1 . . 559 . A 170 VAL N . 34088 3
531 . 1 1 171 171 ASN H H 1 9.640 0.011 . 1 . . 942 . A 171 ASN H . 34088 3
532 . 1 1 171 171 ASN C C 13 174.717 0.018 . 1 . . 1264 . A 171 ASN C . 34088 3
533 . 1 1 171 171 ASN CA C 13 51.333 0.094 . 1 . . 945 . A 171 ASN CA . 34088 3
534 . 1 1 171 171 ASN CB C 13 42.890 0.226 . 1 . . 943 . A 171 ASN CB . 34088 3
535 . 1 1 171 171 ASN N N 15 121.895 0.125 . 1 . . 944 . A 171 ASN N . 34088 3
536 . 1 1 172 172 TYR H H 1 9.686 0.034 . 1 . . 948 . A 172 TYR H . 34088 3
537 . 1 1 172 172 TYR C C 13 173.081 0.117 . 1 . . 946 . A 172 TYR C . 34088 3
538 . 1 1 172 172 TYR CA C 13 57.510 0.103 . 1 . . 861 . A 172 TYR CA . 34088 3
539 . 1 1 172 172 TYR CB C 13 41.857 0.007 . 1 . . 947 . A 172 TYR CB . 34088 3
540 . 1 1 172 172 TYR N N 15 122.296 0.133 . 1 . . 1160 . A 172 TYR N . 34088 3
541 . 1 1 173 173 TYR H H 1 8.486 0.038 . 1 . . 938 . A 173 TYR H . 34088 3
542 . 1 1 173 173 TYR C C 13 172.100 0.051 . 1 . . 939 . A 173 TYR C . 34088 3
543 . 1 1 173 173 TYR CA C 13 56.134 0.114 . 1 . . 937 . A 173 TYR CA . 34088 3
544 . 1 1 173 173 TYR CB C 13 43.142 0.063 . 1 . . 940 . A 173 TYR CB . 34088 3
545 . 1 1 173 173 TYR N N 15 127.923 0.21 . 1 . . 936 . A 173 TYR N . 34088 3
546 . 1 1 174 174 LEU H H 1 7.563 0.051 . 1 . . 756 . A 174 LEU H . 34088 3
547 . 1 1 174 174 LEU C C 13 174.168 0.054 . 1 . . 130 . A 174 LEU C . 34088 3
548 . 1 1 174 174 LEU CA C 13 52.987 0.107 . 1 . . 109 . A 174 LEU CA . 34088 3
549 . 1 1 174 174 LEU CB C 13 45.817 0.086 . 1 . . 108 . A 174 LEU CB . 34088 3
550 . 1 1 174 174 LEU N N 15 126.579 0.133 . 1 . . 491 . A 174 LEU N . 34088 3
551 . 1 1 175 175 GLU H H 1 8.756 0.014 . 1 . . 965 . A 175 GLU H . 34088 3
552 . 1 1 175 175 GLU CA C 13 55.081 0.125 . 1 . . 966 . A 175 GLU CA . 34088 3
553 . 1 1 175 175 GLU CB C 13 32.826 0.002 . 1 . . 968 . A 175 GLU CB . 34088 3
554 . 1 1 175 175 GLU N N 15 124.205 0.131 . 1 . . 967 . A 175 GLU N . 34088 3
555 . 1 1 194 194 ILE H H 1 8.841 0.031 . 1 . . 1216 . A 194 ILE H . 34088 3
556 . 1 1 194 194 ILE C C 13 175.447 . . 1 . . 971 . A 194 ILE C . 34088 3
557 . 1 1 194 194 ILE CA C 13 59.583 0.066 . 1 . . 1215 . A 194 ILE CA . 34088 3
558 . 1 1 194 194 ILE CB C 13 39.175 0.061 . 1 . . 959 . A 194 ILE CB . 34088 3
559 . 1 1 194 194 ILE N N 15 117.563 0.078 . 1 . . 1214 . A 194 ILE N . 34088 3
560 . 1 1 195 195 ARG H H 1 9.480 0.028 . 1 . . 846 . A 195 ARG H . 34088 3
561 . 1 1 195 195 ARG C C 13 173.609 0.092 . 1 . . 548 . A 195 ARG C . 34088 3
562 . 1 1 195 195 ARG CA C 13 55.127 0.085 . 1 . . 451 . A 195 ARG CA . 34088 3
563 . 1 1 195 195 ARG CB C 13 33.356 0.107 . 1 . . 452 . A 195 ARG CB . 34088 3
564 . 1 1 195 195 ARG N N 15 126.346 0.227 . 1 . . 845 . A 195 ARG N . 34088 3
565 . 1 1 196 196 ALA H H 1 8.567 0.037 . 1 . . 715 . A 196 ALA H . 34088 3
566 . 1 1 196 196 ALA C C 13 175.421 0.103 . 1 . . 272 . A 196 ALA C . 34088 3
567 . 1 1 196 196 ALA CA C 13 49.907 0.045 . 1 . . 245 . A 196 ALA CA . 34088 3
568 . 1 1 196 196 ALA CB C 13 22.106 0.128 . 1 . . 244 . A 196 ALA CB . 34088 3
569 . 1 1 196 196 ALA N N 15 124.497 0.239 . 1 . . 258 . A 196 ALA N . 34088 3
570 . 1 1 197 197 TYR H H 1 9.637 0.062 . 1 . . 671 . A 197 TYR H . 34088 3
571 . 1 1 197 197 TYR C C 13 174.554 0.074 . 1 . . 496 . A 197 TYR C . 34088 3
572 . 1 1 197 197 TYR CA C 13 56.272 0.057 . 1 . . 296 . A 197 TYR CA . 34088 3
573 . 1 1 197 197 TYR CB C 13 42.687 0.066 . 1 . . 295 . A 197 TYR CB . 34088 3
574 . 1 1 197 197 TYR N N 15 117.497 0.222 . 1 . . 297 . A 197 TYR N . 34088 3
575 . 1 1 198 198 LEU H H 1 8.349 0.039 . 1 . . 723 . A 198 LEU H . 34088 3
576 . 1 1 198 198 LEU CA C 13 51.747 0.12 . 1 . . 102 . A 198 LEU CA . 34088 3
577 . 1 1 198 198 LEU CB C 13 44.599 0.046 . 1 . . 80 . A 198 LEU CB . 34088 3
578 . 1 1 198 198 LEU N N 15 123.729 0.182 . 1 . . 494 . A 198 LEU N . 34088 3
579 . 1 1 199 199 PRO C C 13 177.671 . . 1 . . 488 . A 199 PRO C . 34088 3
580 . 1 1 199 199 PRO CA C 13 64.443 0.195 . 1 . . 51 . A 199 PRO CA . 34088 3
581 . 1 1 199 199 PRO CB C 13 31.999 0.025 . 1 . . 49 . A 199 PRO CB . 34088 3
582 . 1 1 200 200 LEU H H 1 9.513 0.044 . 1 . . 790 . A 200 LEU H . 34088 3
583 . 1 1 200 200 LEU C C 13 178.940 0.087 . 1 . . 86 . A 200 LEU C . 34088 3
584 . 1 1 200 200 LEU CA C 13 53.551 0.131 . 1 . . 791 . A 200 LEU CA . 34088 3
585 . 1 1 200 200 LEU CB C 13 43.297 0.097 . 1 . . 789 . A 200 LEU CB . 34088 3
586 . 1 1 200 200 LEU N N 15 127.164 0.494 . 1 . . 788 . A 200 LEU N . 34088 3
587 . 1 1 201 201 THR H H 1 9.599 0.068 . 1 . . 769 . A 201 THR H . 34088 3
588 . 1 1 201 201 THR C C 13 174.113 . . 1 . . 493 . A 201 THR C . 34088 3
589 . 1 1 201 201 THR CA C 13 61.913 0.101 . 1 . . 16 . A 201 THR CA . 34088 3
590 . 1 1 201 201 THR CB C 13 70.291 0.106 . 1 . . 17 . A 201 THR CB . 34088 3
591 . 1 1 201 201 THR N N 15 122.027 0.35 . 1 . . 135 . A 201 THR N . 34088 3
592 . 1 1 202 202 LEU H H 1 8.459 0.039 . 1 . . 760 . A 202 LEU H . 34088 3
593 . 1 1 202 202 LEU C C 13 176.493 0.032 . 1 . . 96 . A 202 LEU C . 34088 3
594 . 1 1 202 202 LEU CA C 13 52.413 0.068 . 1 . . 99 . A 202 LEU CA . 34088 3
595 . 1 1 202 202 LEU CB C 13 42.902 0.192 . 1 . . 95 . A 202 LEU CB . 34088 3
596 . 1 1 202 202 LEU N N 15 128.363 0.311 . 1 . . 489 . A 202 LEU N . 34088 3
597 . 1 1 203 203 GLY H H 1 8.567 0.068 . 1 . . 740 . A 203 GLY H . 34088 3
598 . 1 1 203 203 GLY C C 13 175.996 0.122 . 1 . . 364 . A 203 GLY C . 34088 3
599 . 1 1 203 203 GLY CA C 13 47.531 0.075 . 1 . . 365 . A 203 GLY CA . 34088 3
600 . 1 1 203 203 GLY N N 15 111.679 0.243 . 1 . . 366 . A 203 GLY N . 34088 3
601 . 1 1 204 204 ASN H H 1 9.375 0.056 . 1 . . 1173 . A 204 ASN H . 34088 3
602 . 1 1 204 204 ASN C C 13 174.414 0.147 . 1 . . 1251 . A 204 ASN C . 34088 3
603 . 1 1 204 204 ASN CA C 13 54.735 0.139 . 1 . . 703 . A 204 ASN CA . 34088 3
604 . 1 1 204 204 ASN CB C 13 38.939 0.09 . 1 . . 702 . A 204 ASN CB . 34088 3
605 . 1 1 204 204 ASN N N 15 126.723 0.143 . 1 . . 1174 . A 204 ASN N . 34088 3
606 . 1 1 205 205 HIS H H 1 8.530 0.107 . 1 . . 957 . A 205 HIS H . 34088 3
607 . 1 1 205 205 HIS C C 13 176.159 . . 1 . . 186 . A 205 HIS C . 34088 3
608 . 1 1 205 205 HIS CA C 13 55.894 0.161 . 1 . . 177 . A 205 HIS CA . 34088 3
609 . 1 1 205 205 HIS CB C 13 32.996 0.04 . 1 . . 176 . A 205 HIS CB . 34088 3
610 . 1 1 205 205 HIS N N 15 121.163 0.214 . 1 . . 353 . A 205 HIS N . 34088 3
611 . 1 1 206 206 SER H H 1 9.399 0.036 . 1 . . 823 . A 206 SER H . 34088 3
612 . 1 1 206 206 SER C C 13 173.062 0.019 . 1 . . 972 . A 206 SER C . 34088 3
613 . 1 1 206 206 SER CA C 13 57.956 0.07 . 1 . . 412 . A 206 SER CA . 34088 3
614 . 1 1 206 206 SER CB C 13 65.228 0.041 . 1 . . 411 . A 206 SER CB . 34088 3
615 . 1 1 206 206 SER N N 15 120.258 0.202 . 1 . . 413 . A 206 SER N . 34088 3
616 . 1 1 207 207 VAL H H 1 8.734 0.092 . 1 . . 958 . A 207 VAL H . 34088 3
617 . 1 1 207 207 VAL C C 13 175.207 . . 1 . . 768 . A 207 VAL C . 34088 3
618 . 1 1 207 207 VAL CA C 13 61.296 0.049 . 1 . . 743 . A 207 VAL CA . 34088 3
619 . 1 1 207 207 VAL CB C 13 35.054 0.073 . 1 . . 1218 . A 207 VAL CB . 34088 3
620 . 1 1 207 207 VAL N N 15 124.315 0.251 . 1 . . 912 . A 207 VAL N . 34088 3
621 . 1 1 208 208 THR H H 1 9.985 0.059 . 1 . . 709 . A 208 THR H . 34088 3
622 . 1 1 208 208 THR CA C 13 59.382 0.029 . 1 . . 35 . A 208 THR CA . 34088 3
623 . 1 1 208 208 THR CB C 13 71.266 0.002 . 1 . . 36 . A 208 THR CB . 34088 3
624 . 1 1 208 208 THR N N 15 121.837 0.179 . 1 . . 467 . A 208 THR N . 34088 3
625 . 1 1 209 209 PRO C C 13 176.111 . . 1 . . 598 . A 209 PRO C . 34088 3
626 . 1 1 209 209 PRO CA C 13 62.397 0.087 . 1 . . 56 . A 209 PRO CA . 34088 3
627 . 1 1 209 209 PRO CB C 13 32.717 0.006 . 1 . . 54 . A 209 PRO CB . 34088 3
628 . 1 1 210 210 TYR H H 1 9.024 0.074 . 1 . . 901 . A 210 TYR H . 34088 3
629 . 1 1 210 210 TYR C C 13 172.953 0.016 . 1 . . 1133 . A 210 TYR C . 34088 3
630 . 1 1 210 210 TYR CA C 13 57.127 0.085 . 1 . . 595 . A 210 TYR CA . 34088 3
631 . 1 1 210 210 TYR CB C 13 42.557 0.126 . 1 . . 594 . A 210 TYR CB . 34088 3
632 . 1 1 210 210 TYR N N 15 118.758 0.282 . 1 . . 596 . A 210 TYR N . 34088 3
633 . 1 1 211 211 THR H H 1 9.010 0.044 . 1 . . 753 . A 211 THR H . 34088 3
634 . 1 1 211 211 THR CA C 13 59.473 0.046 . 1 . . 39 . A 211 THR CA . 34088 3
635 . 1 1 211 211 THR CB C 13 71.335 0.054 . 1 . . 38 . A 211 THR CB . 34088 3
636 . 1 1 211 211 THR N N 15 111.453 0.121 . 1 . . 752 . A 211 THR N . 34088 3
637 . 1 1 237 237 VAL C C 13 173.453 . . 1 . . 1101 . A 237 VAL C . 34088 3
638 . 1 1 237 237 VAL CA C 13 61.087 0.127 . 1 . . 1100 . A 237 VAL CA . 34088 3
639 . 1 1 238 238 GLY H H 1 8.257 0.02 . 1 . . 885 . A 238 GLY H . 34088 3
640 . 1 1 238 238 GLY C C 13 170.438 0.019 . 1 . . 886 . A 238 GLY C . 34088 3
641 . 1 1 238 238 GLY CA C 13 45.855 0.145 . 1 . . 884 . A 238 GLY CA . 34088 3
642 . 1 1 238 238 GLY N N 15 110.275 0.336 . 1 . . 883 . A 238 GLY N . 34088 3
643 . 1 1 239 239 LEU H H 1 9.218 0.029 . 1 . . 776 . A 239 LEU H . 34088 3
644 . 1 1 239 239 LEU C C 13 174.471 . . 1 . . 537 . A 239 LEU C . 34088 3
645 . 1 1 239 239 LEU CA C 13 55.178 0.084 . 1 . . 127 . A 239 LEU CA . 34088 3
646 . 1 1 239 239 LEU CB C 13 46.505 0.081 . 1 . . 115 . A 239 LEU CB . 34088 3
647 . 1 1 239 239 LEU N N 15 117.915 0.144 . 1 . . 535 . A 239 LEU N . 34088 3
648 . 1 1 240 240 PHE H H 1 8.262 0.029 . 1 . . 985 . A 240 PHE H . 34088 3
649 . 1 1 240 240 PHE C C 13 173.557 0.022 . 1 . . 1157 . A 240 PHE C . 34088 3
650 . 1 1 240 240 PHE CA C 13 57.111 0.089 . 1 . . 1156 . A 240 PHE CA . 34088 3
651 . 1 1 240 240 PHE CB C 13 42.491 0.028 . 1 . . 1233 . A 240 PHE CB . 34088 3
652 . 1 1 240 240 PHE N N 15 124.232 0.175 . 1 . . 984 . A 240 PHE N . 34088 3
653 . 1 1 241 241 TYR H H 1 9.423 0.075 . 1 . . 787 . A 241 TYR H . 34088 3
654 . 1 1 241 241 TYR C C 13 173.446 0.138 . 1 . . 926 . A 241 TYR C . 34088 3
655 . 1 1 241 241 TYR CA C 13 56.832 0.123 . 1 . . 910 . A 241 TYR CA . 34088 3
656 . 1 1 241 241 TYR CB C 13 42.698 0.235 . 1 . . 911 . A 241 TYR CB . 34088 3
657 . 1 1 241 241 TYR N N 15 130.017 0.316 . 1 . . 342 . A 241 TYR N . 34088 3
658 . 1 1 242 242 GLY H H 1 8.661 0.04 . 1 . . 830 . A 242 GLY H . 34088 3
659 . 1 1 242 242 GLY C C 13 170.737 0.086 . 1 . . 869 . A 242 GLY C . 34088 3
660 . 1 1 242 242 GLY CA C 13 44.462 0.133 . 1 . . 389 . A 242 GLY CA . 34088 3
661 . 1 1 242 242 GLY N N 15 113.974 0.324 . 1 . . 390 . A 242 GLY N . 34088 3
662 . 1 1 243 243 TYR H H 1 8.183 0.054 . 1 . . 718 . A 243 TYR H . 34088 3
663 . 1 1 243 243 TYR C C 13 173.760 . . 1 . . 1158 . A 243 TYR C . 34088 3
664 . 1 1 243 243 TYR CA C 13 58.452 0.038 . 1 . . 600 . A 243 TYR CA . 34088 3
665 . 1 1 243 243 TYR CB C 13 42.101 0.011 . 1 . . 601 . A 243 TYR CB . 34088 3
666 . 1 1 243 243 TYR N N 15 118.942 0.199 . 1 . . 599 . A 243 TYR N . 34088 3
667 . 1 1 244 244 ASP H H 1 6.578 0.043 . 1 . . 1057 . A 244 ASP H . 34088 3
668 . 1 1 244 244 ASP CA C 13 52.752 0.07 . 1 . . 814 . A 244 ASP CA . 34088 3
669 . 1 1 244 244 ASP CB C 13 42.882 0.169 . 1 . . 850 . A 244 ASP CB . 34088 3
670 . 1 1 244 244 ASP N N 15 125.923 0.174 . 1 . . 1056 . A 244 ASP N . 34088 3
671 . 1 1 245 245 PHE H H 1 8.672 0.028 . 1 . . 1106 . A 245 PHE H . 34088 3
672 . 1 1 245 245 PHE CA C 13 60.487 0.127 . 1 . . 324 . A 245 PHE CA . 34088 3
673 . 1 1 245 245 PHE N N 15 121.073 0.086 . 1 . . 323 . A 245 PHE N . 34088 3
674 . 1 1 249 249 LEU C C 13 176.046 0.16 . 1 . . 683 . A 249 LEU C . 34088 3
675 . 1 1 249 249 LEU CA C 13 55.279 . . 1 . . 105 . A 249 LEU CA . 34088 3
676 . 1 1 249 249 LEU CB C 13 44.386 . . 1 . . 104 . A 249 LEU CB . 34088 3
677 . 1 1 250 250 SER H H 1 9.778 0.029 . 1 . . 881 . A 250 SER H . 34088 3
678 . 1 1 250 250 SER C C 13 172.088 . . 1 . . 540 . A 250 SER C . 34088 3
679 . 1 1 250 250 SER CA C 13 58.257 0.073 . 1 . . 523 . A 250 SER CA . 34088 3
680 . 1 1 250 250 SER CB C 13 66.825 0.306 . 1 . . 524 . A 250 SER CB . 34088 3
681 . 1 1 250 250 SER N N 15 119.501 0.388 . 1 . . 880 . A 250 SER N . 34088 3
682 . 1 1 251 251 VAL H H 1 8.950 0.027 . 1 . . 978 . A 251 VAL H . 34088 3
683 . 1 1 251 251 VAL C C 13 175.429 0.02 . 1 . . 541 . A 251 VAL C . 34088 3
684 . 1 1 251 251 VAL CA C 13 59.383 0.088 . 1 . . 526 . A 251 VAL CA . 34088 3
685 . 1 1 251 251 VAL CB C 13 36.639 0.26 . 1 . . 525 . A 251 VAL CB . 34088 3
686 . 1 1 251 251 VAL N N 15 115.107 0.739 . 1 . . 527 . A 251 VAL N . 34088 3
687 . 1 1 252 252 SER H H 1 9.462 0.026 . 1 . . 741 . A 252 SER H . 34088 3
688 . 1 1 252 252 SER C C 13 172.824 0.159 . 1 . . 538 . A 252 SER C . 34088 3
689 . 1 1 252 252 SER CA C 13 57.402 0.13 . 1 . . 409 . A 252 SER CA . 34088 3
690 . 1 1 252 252 SER CB C 13 68.039 0.147 . 1 . . 408 . A 252 SER CB . 34088 3
691 . 1 1 252 252 SER N N 15 119.442 0.197 . 1 . . 410 . A 252 SER N . 34088 3
692 . 1 1 253 253 LEU H H 1 9.675 0.025 . 1 . . 925 . A 253 LEU H . 34088 3
693 . 1 1 253 253 LEU C C 13 175.191 . . 1 . . 132 . A 253 LEU C . 34088 3
694 . 1 1 253 253 LEU CA C 13 54.768 0.242 . 1 . . 123 . A 253 LEU CA . 34088 3
695 . 1 1 253 253 LEU CB C 13 47.086 0.061 . 1 . . 117 . A 253 LEU CB . 34088 3
696 . 1 1 253 253 LEU N N 15 121.809 0.229 . 1 . . 539 . A 253 LEU N . 34088 3
697 . 1 1 254 254 GLU H H 1 9.220 0.0 . 1 . . 1191 . A 254 GLU H . 34088 3
698 . 1 1 254 254 GLU CA C 13 55.430 0.024 . 1 . . 1189 . A 254 GLU CA . 34088 3
699 . 1 1 254 254 GLU N N 15 122.308 0.016 . 1 . . 1190 . A 254 GLU N . 34088 3
700 . 1 1 255 255 TYR H H 1 8.534 0.012 . 1 . . 1085 . A 255 TYR H . 34088 3
701 . 1 1 255 255 TYR CA C 13 57.065 0.099 . 1 . . 1084 . A 255 TYR CA . 34088 3
702 . 1 1 255 255 TYR N N 15 123.708 0.157 . 1 . . 1083 . A 255 TYR N . 34088 3
703 . 1 1 273 273 ALA C C 13 175.886 . . 1 . . 631 . A 273 ALA C . 34088 3
704 . 1 1 273 273 ALA CA C 13 51.258 0.184 . 1 . . 275 . A 273 ALA CA . 34088 3
705 . 1 1 274 274 GLY H H 1 8.929 0.033 . 1 . . 667 . A 274 GLY H . 34088 3
706 . 1 1 274 274 GLY C C 13 172.310 . . 1 . . 378 . A 274 GLY C . 34088 3
707 . 1 1 274 274 GLY CA C 13 46.371 0.054 . 1 . . 379 . A 274 GLY CA . 34088 3
708 . 1 1 274 274 GLY N N 15 105.184 0.265 . 1 . . 380 . A 274 GLY N . 34088 3
709 . 1 1 275 275 VAL H H 1 8.939 0.024 . 1 . . 1162 . A 275 VAL H . 34088 3
710 . 1 1 275 275 VAL C C 13 173.777 . . 1 . . 637 . A 275 VAL C . 34088 3
711 . 1 1 275 275 VAL CA C 13 59.717 0.028 . 1 . . 636 . A 275 VAL CA . 34088 3
712 . 1 1 275 275 VAL CB C 13 35.594 0.054 . 1 . . 1132 . A 275 VAL CB . 34088 3
713 . 1 1 275 275 VAL N N 15 119.842 0.314 . 1 . . 635 . A 275 VAL N . 34088 3
714 . 1 1 276 276 GLY H H 1 9.232 0.048 . 1 . . 975 . A 276 GLY H . 34088 3
715 . 1 1 276 276 GLY C C 13 172.012 0.075 . 1 . . 1159 . A 276 GLY C . 34088 3
716 . 1 1 276 276 GLY CA C 13 45.920 0.063 . 1 . . 370 . A 276 GLY CA . 34088 3
717 . 1 1 276 276 GLY N N 15 112.001 0.259 . 1 . . 371 . A 276 GLY N . 34088 3
718 . 1 1 277 277 VAL H H 1 8.884 0.02 . 1 . . 1129 . A 277 VAL H . 34088 3
719 . 1 1 277 277 VAL CA C 13 60.176 0.054 . 1 . . 1208 . A 277 VAL CA . 34088 3
720 . 1 1 277 277 VAL CB C 13 35.867 0.155 . 1 . . 1209 . A 277 VAL CB . 34088 3
721 . 1 1 277 277 VAL N N 15 115.955 0.274 . 1 . . 998 . A 277 VAL N . 34088 3
722 . 1 1 278 278 ASN H H 1 9.052 0.032 . 1 . . 1131 . A 278 ASN H . 34088 3
723 . 1 1 278 278 ASN HD21 H 1 7.247 . . 1 . . 1275 . A 278 ASN HD21 . 34088 3
724 . 1 1 278 278 ASN C C 13 172.885 0.093 . 1 . . 1150 . A 278 ASN C . 34088 3
725 . 1 1 278 278 ASN CA C 13 53.499 0.019 . 1 . . 1200 . A 278 ASN CA . 34088 3
726 . 1 1 278 278 ASN CB C 13 44.680 0.168 . 1 . . 1201 . A 278 ASN CB . 34088 3
727 . 1 1 278 278 ASN N N 15 123.379 0.267 . 1 . . 1130 . A 278 ASN N . 34088 3
728 . 1 1 278 278 ASN ND2 N 15 114.717 . . 1 . . 1274 . A 278 ASN ND2 . 34088 3
729 . 1 1 279 279 TYR H H 1 10.088 0.049 . 1 . . 980 . A 279 TYR H . 34088 3
730 . 1 1 279 279 TYR C C 13 173.687 0.063 . 1 . . 1102 . A 279 TYR C . 34088 3
731 . 1 1 279 279 TYR CA C 13 57.299 0.033 . 1 . . 1210 . A 279 TYR CA . 34088 3
732 . 1 1 279 279 TYR CB C 13 41.944 . . 1 . . 1211 . A 279 TYR CB . 34088 3
733 . 1 1 279 279 TYR N N 15 126.780 0.166 . 1 . . 979 . A 279 TYR N . 34088 3
734 . 1 1 280 280 SER H H 1 8.330 0.024 . 1 . . 986 . A 280 SER H . 34088 3
735 . 1 1 280 280 SER C C 13 173.647 0.068 . 1 . . 1221 . A 280 SER C . 34088 3
736 . 1 1 280 280 SER CA C 13 56.442 . . 1 . . 407 . A 280 SER CA . 34088 3
737 . 1 1 280 280 SER CB C 13 66.361 0.04 . 1 . . 406 . A 280 SER CB . 34088 3
738 . 1 1 280 280 SER N N 15 123.965 0.106 . 1 . . 1223 . A 280 SER N . 34088 3
739 . 1 1 281 281 PHE H H 1 8.694 0.082 . 1 . . 1222 . A 281 PHE H . 34088 3
740 . 1 1 281 281 PHE CA C 13 58.776 0.005 . 1 . . 1248 . A 281 PHE CA . 34088 3
741 . 1 1 281 281 PHE N N 15 127.113 0.063 . 1 . . 1250 . A 281 PHE N . 34088 3
stop_
save_