Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
632886 | 6e5c RC | 30495 | cing | 1-original | 1 | STAR | chemical shift |
# Restraints file 1: 3NIK__ac18evG.str
data_nef_csrosetta_test_1
#######################
# Entry information #
#######################
save_nef_nmr_meta_data
_Entry.Sf_category entry_information
_Entry.Sf_framecode nef_nmr_meta_data
_Entry.NMR_STAR_version 3.2.0.4
_Entry.Source_data_format nmr_exchange_format
_Entry.Source_data_format_version 1.1
_Entry.Generated_software_name CS-Rosetta
_Entry.Generated_software_version 3.4
_Entry.Generated_date 2018-06-26
_Entry.UUID CS-Rosetta_Tue_Jun_26_16:55:22_PDT_427a88c0-39c0-472b-899c-e9b719a58977
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_nef_molecular_system
_Assembly.Sf_category assembly
_Assembly.Sf_framecode nef_molecular_system
loop_
_Chem_comp_assembly.Entity_assembly_ID
_Chem_comp_assembly.Comp_index_ID
_Chem_comp_assembly.Comp_ID
_Chem_comp_assembly.Auth_asym_ID
_Chem_comp_assembly.Auth_seq_ID
_Chem_comp_assembly.Auth_comp_ID
_Chem_comp_assembly.Auth_variant_ID
_Chem_comp_assembly.Sequence_linking
_Chem_comp_assembly.NEF_index
1 1 THR A 1 THR . start 1
1 2 ARG A 2 ARG . middle 2
1 3 GLU A 3 GLU . middle 3
1 4 THR A 4 THR . middle 4
1 5 LYS A 5 LYS . middle 5
1 6 VAL A 6 VAL . middle 6
1 7 THR A 7 THR . middle 7
1 8 VAL A 8 VAL . middle 8
1 9 ASN A 9 ASN . middle 9
1 10 PRO A 10 PRO . middle 10
1 11 GLY A 11 GLY . middle 11
1 12 GLU A 12 GLU . middle 12
1 13 GLU A 13 GLU . middle 13
1 14 TYR A 14 TYR . middle 14
1 15 GLU A 15 GLU . middle 15
1 16 VAL A 16 VAL . middle 16
1 17 LYS A 17 LYS . middle 17
1 18 VAL A 18 VAL . middle 18
1 19 ASN A 19 ASN . middle 19
1 20 PRO A 20 PRO . middle 20
1 21 GLY A 21 GLY . middle 21
1 22 THR A 22 THR . middle 22
1 23 ARG A 23 ARG . middle 23
1 24 VAL A 24 VAL . middle 24
1 25 GLU A 25 GLU . middle 25
1 26 ILE A 26 ILE . middle 26
1 27 GLN A 27 GLN . middle 27
1 28 ALA A 28 ALA . middle 28
1 29 LYS A 29 LYS . middle 29
1 30 GLY A 30 GLY . middle 30
1 31 PRO A 31 PRO . middle 31
1 32 ALA A 32 ALA . middle 32
1 33 GLU A 33 GLU . middle 33
1 34 PHE A 34 PHE . middle 34
1 35 GLU A 35 GLU . middle 35
1 36 GLY A 36 GLY . middle 36
1 37 GLY A 37 GLY . middle 37
1 38 GLY A 38 GLY . middle 38
1 39 THR A 39 THR . middle 39
1 40 ARG A 40 ARG . middle 40
1 41 THR A 41 THR . middle 41
1 42 ARG A 42 ARG . middle 42
1 43 LEU A 43 LEU . middle 43
1 44 ASN A 44 ASN . middle 44
1 45 PRO A 45 PRO . middle 45
1 46 GLY A 46 GLY . middle 46
1 47 GLU A 47 GLU . middle 47
1 48 SER A 48 SER . middle 48
1 49 TYR A 49 TYR . middle 49
1 50 LYS A 50 LYS . middle 50
1 51 PHE A 51 PHE . middle 51
1 52 GLU A 52 GLU . middle 52
1 53 ASN A 53 ASN . middle 53
1 54 LEU A 54 LEU . middle 54
1 55 THR A 55 THR . middle 55
1 56 SER A 56 SER . middle 56
1 57 GLN A 57 GLN . middle 57
1 58 PRO A 58 PRO . middle 58
1 59 LEU A 59 LEU . middle 59
1 60 ARG A 60 ARG . middle 60
1 61 ILE A 61 ILE . middle 61
1 62 ARG A 62 ARG . middle 62
1 63 LEU A 63 LEU . middle 63
1 64 ARG A 64 ARG . middle 64
1 65 ASN A 65 ASN . middle 65
1 66 LEU A 66 LEU . middle 66
1 67 SER A 67 SER . middle 67
1 68 ASP A 68 ASP . middle 68
1 69 THR A 69 THR . middle 69
1 70 PRO A 70 PRO . middle 70
1 71 ILE A 71 ILE . middle 71
1 72 GLU A 72 GLU . middle 72
1 73 PHE A 73 PHE . middle 73
1 74 ARG A 74 ARG . middle 74
1 75 ILE A 75 ILE . middle 75
1 76 ARG A 76 ARG . middle 76
1 77 GLU A 77 GLU . middle 77
1 78 GLU A 78 GLU . end 78
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_nef_chemical_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode nef_chemical_shift_list_1
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Ambiguity_code
_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.Assigned_chem_shift_list_ID
1 1 1 THR CA 62.260 0.200 1 A 1 THR CA 1
2 1 1 THR CB 70.239 0.039 1 A 1 THR CB 1
3 1 1 THR CG2 21.833 0.038 1 A 1 THR CG2 1
4 1 1 THR HA 4.587 0.020 1 A 1 THR HA 1
5 1 1 THR HB 4.099 0.020 1 A 1 THR HB 1
6 1 1 THR HG21 1.171 0.020 1 A 1 THR HG21 1
7 1 1 THR HG22 1.171 0.020 1 A 1 THR HG22 1
8 1 1 THR HG23 1.171 0.020 1 A 1 THR HG23 1
9 1 2 ARG CB 32.622 0.060 1 A 2 ARG CB 1
10 1 2 ARG H 8.589 0.006 1 A 2 ARG H 1
11 1 2 ARG HB2 1.900 0.020 1 A 2 ARG HB2 1
12 1 2 ARG HB3 1.786 0.020 1 A 2 ARG HB3 1
13 1 2 ARG N 124.335 0.014 1 A 2 ARG N 1
14 1 4 THR CB 3.970 0.200 1 A 4 THR CB 1
15 1 4 THR CG2 21.238 0.056 1 A 4 THR CG2 1
16 1 4 THR HB 71.587 0.020 1 A 4 THR HB 1
17 1 4 THR HG21 1.168 0.003 1 A 4 THR HG21 1
18 1 4 THR HG22 1.168 0.003 1 A 4 THR HG22 1
19 1 4 THR HG23 1.168 0.003 1 A 4 THR HG23 1
20 1 5 LYS CA 55.176 0.071 1 A 5 LYS CA 1
21 1 5 LYS CB 34.637 0.038 1 A 5 LYS CB 1
22 1 5 LYS CD 29.358 0.200 1 A 5 LYS CD 1
23 1 5 LYS CG 25.114 0.056 1 A 5 LYS CG 1
24 1 5 LYS HA 5.415 0.020 1 A 5 LYS HA 1
25 1 5 LYS HG2 1.352 0.020 1 A 5 LYS HG2 1
26 1 5 LYS HG3 1.218 0.020 1 A 5 LYS HG3 1
27 1 5 LYS HB2 1.655 0.020 1 A 5 LYS HB2 1
28 1 5 LYS HB3 1.655 0.020 1 A 5 LYS HB3 1
29 1 5 LYS HD2 1.584 0.020 1 A 5 LYS HD2 1
30 1 5 LYS HD3 1.584 0.020 1 A 5 LYS HD3 1
31 1 6 VAL CA 59.880 0.023 1 A 6 VAL CA 1
32 1 6 VAL CB 35.489 0.033 1 A 6 VAL CB 1
33 1 6 VAL CG1 19.735 0.053 1 A 6 VAL CG1 1
34 1 6 VAL CG2 19.645 0.048 1 A 6 VAL CG2 1
35 1 6 VAL H 8.625 0.006 1 A 6 VAL H 1
36 1 6 VAL HA 4.492 0.003 1 A 6 VAL HA 1
37 1 6 VAL HB 1.512 0.003 1 A 6 VAL HB 1
38 1 6 VAL N 121.073 0.028 1 A 6 VAL N 1
39 1 6 VAL HG11 0.257 0.008 1 A 6 VAL HG11 1
40 1 6 VAL HG12 0.257 0.008 1 A 6 VAL HG12 1
41 1 6 VAL HG13 0.257 0.008 1 A 6 VAL HG13 1
42 1 6 VAL HG21 0.335 0.005 1 A 6 VAL HG21 1
43 1 6 VAL HG22 0.335 0.005 1 A 6 VAL HG22 1
44 1 6 VAL HG23 0.335 0.005 1 A 6 VAL HG23 1
45 1 7 THR CA 58.195 41.005 1 A 7 THR CA 1
46 1 7 THR CB 69.529 0.042 1 A 7 THR CB 1
47 1 7 THR CG2 21.907 0.048 1 A 7 THR CG2 1
48 1 7 THR H 8.459 0.003 1 A 7 THR H 1
49 1 7 THR HA 4.976 0.001 1 A 7 THR HA 1
50 1 7 THR HB 3.852 0.004 1 A 7 THR HB 1
51 1 7 THR N 122.614 0.013 1 A 7 THR N 1
52 1 7 THR HG21 0.927 0.003 1 A 7 THR HG21 1
53 1 7 THR HG22 0.927 0.003 1 A 7 THR HG22 1
54 1 7 THR HG23 0.927 0.003 1 A 7 THR HG23 1
55 1 8 VAL CA 60.824 0.041 1 A 8 VAL CA 1
56 1 8 VAL CB 35.172 0.107 1 A 8 VAL CB 1
57 1 8 VAL CG1 22.851 0.087 1 A 8 VAL CG1 1
58 1 8 VAL CG2 21.735 0.055 1 A 8 VAL CG2 1
59 1 8 VAL H 8.822 0.002 1 A 8 VAL H 1
60 1 8 VAL HA 4.293 0.001 1 A 8 VAL HA 1
61 1 8 VAL HB 1.861 0.020 1 A 8 VAL HB 1
62 1 8 VAL N 127.228 0.008 1 A 8 VAL N 1
63 1 8 VAL HG11 0.681 0.001 1 A 8 VAL HG11 1
64 1 8 VAL HG12 0.681 0.001 1 A 8 VAL HG12 1
65 1 8 VAL HG13 0.681 0.001 1 A 8 VAL HG13 1
66 1 8 VAL HG21 1.022 0.008 1 A 8 VAL HG21 1
67 1 8 VAL HG22 1.022 0.008 1 A 8 VAL HG22 1
68 1 8 VAL HG23 1.022 0.008 1 A 8 VAL HG23 1
69 1 9 ASN CA 52.977 0.200 1 A 9 ASN CA 1
70 1 9 ASN CB 36.630 0.038 1 A 9 ASN CB 1
71 1 9 ASN H 9.254 0.001 1 A 9 ASN H 1
72 1 9 ASN HA 4.636 0.020 1 A 9 ASN HA 1
73 1 9 ASN HB2 2.828 0.020 1 A 9 ASN HB2 1
74 1 9 ASN HB3 2.581 0.020 1 A 9 ASN HB3 1
75 1 9 ASN HD21 7.567 0.001 1 A 9 ASN HD21 1
76 1 9 ASN HD22 6.792 0.020 1 A 9 ASN HD22 1
77 1 9 ASN N 129.098 0.014 1 A 9 ASN N 1
78 1 9 ASN ND2 111.866 0.013 1 A 9 ASN ND2 1
79 1 10 PRO CA 64.873 0.062 1 A 10 PRO CA 1
80 1 10 PRO CB 31.790 0.044 1 A 10 PRO CB 1
81 1 10 PRO CD 50.416 0.037 1 A 10 PRO CD 1
82 1 10 PRO CG 27.461 0.055 1 A 10 PRO CG 1
83 1 10 PRO HA 4.000 0.020 1 A 10 PRO HA 1
84 1 10 PRO HB2 2.291 0.020 1 A 10 PRO HB2 1
85 1 10 PRO HB3 1.807 0.020 1 A 10 PRO HB3 1
86 1 10 PRO HD2 3.565 0.020 1 A 10 PRO HD2 1
87 1 10 PRO HD3 3.069 0.012 1 A 10 PRO HD3 1
88 1 10 PRO HG2 1.941 0.020 1 A 10 PRO HG2 1
89 1 10 PRO HG3 1.376 0.004 1 A 10 PRO HG3 1
90 1 11 GLY CA 46.109 0.032 1 A 11 GLY CA 1
91 1 11 GLY H 8.347 0.002 1 A 11 GLY H 1
92 1 11 GLY HA2 4.103 0.020 1 A 11 GLY HA2 1
93 1 11 GLY HA3 3.804 0.020 1 A 11 GLY HA3 1
94 1 11 GLY N 112.666 0.013 1 A 11 GLY N 1
95 1 12 GLU CA 55.560 0.200 1 A 12 GLU CA 1
96 1 12 GLU CB 31.453 0.006 1 A 12 GLU CB 1
97 1 12 GLU CG 37.040 0.005 1 A 12 GLU CG 1
98 1 12 GLU H 7.747 0.001 1 A 12 GLU H 1
99 1 12 GLU HA 4.558 0.020 1 A 12 GLU HA 1
100 1 12 GLU HB2 2.226 0.002 1 A 12 GLU HB2 1
101 1 12 GLU HB3 2.016 0.002 1 A 12 GLU HB3 1
102 1 12 GLU N 119.737 0.012 1 A 12 GLU N 1
103 1 12 GLU HG2 2.205 0.001 1 A 12 GLU HG2 1
104 1 12 GLU HG3 2.205 0.001 1 A 12 GLU HG3 1
105 1 13 GLU CA 53.973 0.200 1 A 13 GLU CA 1
106 1 13 GLU CB 33.923 0.200 1 A 13 GLU CB 1
107 1 13 GLU CG 36.293 0.200 1 A 13 GLU CG 1
108 1 13 GLU H 8.159 0.001 1 A 13 GLU H 1
109 1 13 GLU HA 5.413 0.020 1 A 13 GLU HA 1
110 1 13 GLU N 116.955 0.008 1 A 13 GLU N 1
111 1 13 GLU HB2 1.758 0.020 1 A 13 GLU HB2 1
112 1 13 GLU HB3 1.758 0.020 1 A 13 GLU HB3 1
113 1 13 GLU HG2 2.035 0.020 1 A 13 GLU HG2 1
114 1 13 GLU HG3 2.035 0.020 1 A 13 GLU HG3 1
115 1 14 TYR CA 57.405 0.200 1 A 14 TYR CA 1
116 1 14 TYR CB 42.965 0.011 1 A 14 TYR CB 1
117 1 14 TYR H 8.812 0.003 1 A 14 TYR H 1
118 1 14 TYR HA 4.635 0.020 1 A 14 TYR HA 1
119 1 14 TYR HB2 2.778 0.020 1 A 14 TYR HB2 1
120 1 14 TYR HB3 2.340 0.020 1 A 14 TYR HB3 1
121 1 14 TYR N 124.087 0.029 1 A 14 TYR N 1
122 1 15 GLU CA 54.741 0.200 1 A 15 GLU CA 1
123 1 15 GLU CB 32.786 0.200 1 A 15 GLU CB 1
124 1 15 GLU CG 37.572 0.074 1 A 15 GLU CG 1
125 1 15 GLU H 7.617 0.002 1 A 15 GLU H 1
126 1 15 GLU HA 5.028 0.020 1 A 15 GLU HA 1
127 1 15 GLU HG2 1.945 0.020 1 A 15 GLU HG2 1
128 1 15 GLU HG3 1.711 0.020 1 A 15 GLU HG3 1
129 1 15 GLU N 127.359 0.024 1 A 15 GLU N 1
130 1 15 GLU HB2 1.654 0.020 1 A 15 GLU HB2 1
131 1 15 GLU HB3 1.654 0.020 1 A 15 GLU HB3 1
132 1 16 VAL CA 60.455 0.030 1 A 16 VAL CA 1
133 1 16 VAL CB 34.768 0.120 1 A 16 VAL CB 1
134 1 16 VAL CG1 21.624 0.047 1 A 16 VAL CG1 1
135 1 16 VAL CG2 20.797 0.046 1 A 16 VAL CG2 1
136 1 16 VAL H 8.661 0.002 1 A 16 VAL H 1
137 1 16 VAL HA 4.098 0.020 1 A 16 VAL HA 1
138 1 16 VAL HB 1.754 0.005 1 A 16 VAL HB 1
139 1 16 VAL N 123.889 0.021 1 A 16 VAL N 1
140 1 16 VAL HG11 0.868 0.003 1 A 16 VAL HG11 1
141 1 16 VAL HG12 0.868 0.003 1 A 16 VAL HG12 1
142 1 16 VAL HG13 0.868 0.003 1 A 16 VAL HG13 1
143 1 16 VAL HG21 0.778 0.001 1 A 16 VAL HG21 1
144 1 16 VAL HG22 0.778 0.001 1 A 16 VAL HG22 1
145 1 16 VAL HG23 0.778 0.001 1 A 16 VAL HG23 1
146 1 17 LYS CA 55.752 0.057 1 A 17 LYS CA 1
147 1 17 LYS CB 33.104 0.037 1 A 17 LYS CB 1
148 1 17 LYS CD 29.454 0.039 1 A 17 LYS CD 1
149 1 17 LYS CE 41.687 0.200 1 A 17 LYS CE 1
150 1 17 LYS CG 25.163 0.081 1 A 17 LYS CG 1
151 1 17 LYS H 8.504 0.004 1 A 17 LYS H 1
152 1 17 LYS HA 4.635 0.001 1 A 17 LYS HA 1
153 1 17 LYS HB2 1.651 0.003 1 A 17 LYS HB2 1
154 1 17 LYS HB3 1.573 0.014 1 A 17 LYS HB3 1
155 1 17 LYS HG2 1.214 0.006 1 A 17 LYS HG2 1
156 1 17 LYS HG3 1.073 0.003 1 A 17 LYS HG3 1
157 1 17 LYS N 127.402 0.068 1 A 17 LYS N 1
158 1 17 LYS HD2 1.603 0.020 1 A 17 LYS HD2 1
159 1 17 LYS HD3 1.603 0.020 1 A 17 LYS HD3 1
160 1 17 LYS HE2 2.886 0.020 1 A 17 LYS HE2 1
161 1 17 LYS HE3 2.886 0.020 1 A 17 LYS HE3 1
162 1 18 VAL CA 61.024 0.038 1 A 18 VAL CA 1
163 1 18 VAL CB 32.705 0.102 1 A 18 VAL CB 1
164 1 18 VAL CG1 22.689 0.118 1 A 18 VAL CG1 1
165 1 18 VAL CG2 21.284 0.075 1 A 18 VAL CG2 1
166 1 18 VAL H 9.165 0.004 1 A 18 VAL H 1
167 1 18 VAL HA 4.290 0.005 1 A 18 VAL HA 1
168 1 18 VAL HB 2.096 0.002 1 A 18 VAL HB 1
169 1 18 VAL N 126.347 0.043 1 A 18 VAL N 1
170 1 18 VAL HG11 1.022 0.020 1 A 18 VAL HG11 1
171 1 18 VAL HG12 1.022 0.020 1 A 18 VAL HG12 1
172 1 18 VAL HG13 1.022 0.020 1 A 18 VAL HG13 1
173 1 18 VAL HG21 0.877 0.001 1 A 18 VAL HG21 1
174 1 18 VAL HG22 0.877 0.001 1 A 18 VAL HG22 1
175 1 18 VAL HG23 0.877 0.001 1 A 18 VAL HG23 1
176 1 19 ASN CA 53.035 0.200 1 A 19 ASN CA 1
177 1 19 ASN CB 37.029 0.080 1 A 19 ASN CB 1
178 1 19 ASN H 9.171 0.002 1 A 19 ASN H 1
179 1 19 ASN HA 4.729 0.020 1 A 19 ASN HA 1
180 1 19 ASN HB2 2.767 0.020 1 A 19 ASN HB2 1
181 1 19 ASN HB3 2.695 0.020 1 A 19 ASN HB3 1
182 1 19 ASN HD21 7.623 0.001 1 A 19 ASN HD21 1
183 1 19 ASN HD22 6.841 0.004 1 A 19 ASN HD22 1
184 1 19 ASN N 129.793 0.015 1 A 19 ASN N 1
185 1 19 ASN ND2 111.965 0.015 1 A 19 ASN ND2 1
186 1 20 PRO CA 64.817 0.064 1 A 20 PRO CA 1
187 1 20 PRO CB 31.982 0.131 1 A 20 PRO CB 1
188 1 20 PRO CG 27.397 0.065 1 A 20 PRO CG 1
189 1 20 PRO HA 4.000 0.020 1 A 20 PRO HA 1
190 1 20 PRO HB2 2.388 0.020 1 A 20 PRO HB2 1
191 1 20 PRO HB3 1.773 0.020 1 A 20 PRO HB3 1
192 1 20 PRO HG2 1.948 0.003 1 A 20 PRO HG2 1
193 1 20 PRO HG3 1.367 0.020 1 A 20 PRO HG3 1
194 1 21 GLY CA 46.094 0.026 1 A 21 GLY CA 1
195 1 21 GLY H 8.779 0.002 1 A 21 GLY H 1
196 1 21 GLY HA2 4.139 0.020 1 A 21 GLY HA2 1
197 1 21 GLY HA3 3.798 0.020 1 A 21 GLY HA3 1
198 1 21 GLY N 113.481 0.008 1 A 21 GLY N 1
199 1 22 THR CA 62.441 0.200 1 A 22 THR CA 1
200 1 22 THR CB 70.993 0.200 1 A 22 THR CB 1
201 1 22 THR CG2 21.971 0.200 1 A 22 THR CG2 1
202 1 22 THR H 7.679 0.002 1 A 22 THR H 1
203 1 22 THR HA 4.629 0.020 1 A 22 THR HA 1
204 1 22 THR HB 4.291 0.020 1 A 22 THR HB 1
205 1 22 THR N 114.153 0.008 1 A 22 THR N 1
206 1 22 THR HG21 1.219 0.020 1 A 22 THR HG21 1
207 1 22 THR HG22 1.219 0.020 1 A 22 THR HG22 1
208 1 22 THR HG23 1.219 0.020 1 A 22 THR HG23 1
209 1 23 ARG CA 54.609 0.064 1 A 23 ARG CA 1
210 1 23 ARG CB 33.101 0.045 1 A 23 ARG CB 1
211 1 23 ARG CD 43.664 0.029 1 A 23 ARG CD 1
212 1 23 ARG CG 27.305 0.070 1 A 23 ARG CG 1
213 1 23 ARG H 8.628 0.004 1 A 23 ARG H 1
214 1 23 ARG HA 5.074 0.002 1 A 23 ARG HA 1
215 1 23 ARG N 122.625 0.028 1 A 23 ARG N 1
216 1 23 ARG HB2 1.730 0.010 1 A 23 ARG HB2 1
217 1 23 ARG HB3 1.730 0.010 1 A 23 ARG HB3 1
218 1 23 ARG HD2 3.075 0.020 1 A 23 ARG HD2 1
219 1 23 ARG HD3 3.075 0.020 1 A 23 ARG HD3 1
220 1 23 ARG HG2 1.490 0.006 1 A 23 ARG HG2 1
221 1 23 ARG HG3 1.490 0.006 1 A 23 ARG HG3 1
222 1 24 VAL CA 58.935 0.031 1 A 24 VAL CA 1
223 1 24 VAL CB 35.827 0.098 1 A 24 VAL CB 1
224 1 24 VAL CG1 22.414 0.023 1 A 24 VAL CG1 1
225 1 24 VAL CG2 21.471 0.055 1 A 24 VAL CG2 1
226 1 24 VAL H 9.084 0.004 1 A 24 VAL H 1
227 1 24 VAL HA 5.471 0.003 1 A 24 VAL HA 1
228 1 24 VAL HB 1.946 0.008 1 A 24 VAL HB 1
229 1 24 VAL N 117.889 0.028 1 A 24 VAL N 1
230 1 24 VAL HG11 0.970 0.020 1 A 24 VAL HG11 1
231 1 24 VAL HG12 0.970 0.020 1 A 24 VAL HG12 1
232 1 24 VAL HG13 0.970 0.020 1 A 24 VAL HG13 1
233 1 24 VAL HG21 0.974 0.001 1 A 24 VAL HG21 1
234 1 24 VAL HG22 0.974 0.001 1 A 24 VAL HG22 1
235 1 24 VAL HG23 0.974 0.001 1 A 24 VAL HG23 1
236 1 25 GLU CA 54.878 0.058 1 A 25 GLU CA 1
237 1 25 GLU CB 33.008 0.085 1 A 25 GLU CB 1
238 1 25 GLU CG 37.040 0.046 1 A 25 GLU CG 1
239 1 25 GLU H 9.013 0.003 1 A 25 GLU H 1
240 1 25 GLU HA 5.277 0.001 1 A 25 GLU HA 1
241 1 25 GLU HB2 1.996 0.018 1 A 25 GLU HB2 1
242 1 25 GLU HB3 1.860 0.004 1 A 25 GLU HB3 1
243 1 25 GLU HG2 2.091 0.006 1 A 25 GLU HG2 1
244 1 25 GLU HG3 1.998 0.020 1 A 25 GLU HG3 1
245 1 25 GLU N 124.883 0.043 1 A 25 GLU N 1
246 1 26 ILE CA 60.008 0.012 1 A 26 ILE CA 1
247 1 26 ILE CB 41.733 0.107 1 A 26 ILE CB 1
248 1 26 ILE CD1 14.782 0.042 1 A 26 ILE CD1 1
249 1 26 ILE CG2 19.045 0.047 1 A 26 ILE CG2 1
250 1 26 ILE H 9.521 0.004 1 A 26 ILE H 1
251 1 26 ILE HA 5.267 0.006 1 A 26 ILE HA 1
252 1 26 ILE HB 1.900 0.020 1 A 26 ILE HB 1
253 1 26 ILE N 126.747 0.050 1 A 26 ILE N 1
254 1 26 ILE HD11 0.875 0.020 1 A 26 ILE HD11 1
255 1 26 ILE HD12 0.875 0.020 1 A 26 ILE HD12 1
256 1 26 ILE HD13 0.875 0.020 1 A 26 ILE HD13 1
257 1 26 ILE HG21 1.071 0.001 1 A 26 ILE HG21 1
258 1 26 ILE HG22 1.071 0.001 1 A 26 ILE HG22 1
259 1 26 ILE HG23 1.071 0.001 1 A 26 ILE HG23 1
260 1 27 GLN CA 54.917 0.045 1 A 27 GLN CA 1
261 1 27 GLN CB 33.111 0.033 1 A 27 GLN CB 1
262 1 27 GLN CG 34.178 0.023 1 A 27 GLN CG 1
263 1 27 GLN H 8.851 0.006 1 A 27 GLN H 1
264 1 27 GLN HA 4.931 0.001 1 A 27 GLN HA 1
265 1 27 GLN HB2 1.999 0.004 1 A 27 GLN HB2 1
266 1 27 GLN HB3 1.902 0.004 1 A 27 GLN HB3 1
267 1 27 GLN HE21 7.264 0.005 1 A 27 GLN HE21 1
268 1 27 GLN HE22 6.620 0.020 1 A 27 GLN HE22 1
269 1 27 GLN HG2 2.193 0.020 1 A 27 GLN HG2 1
270 1 27 GLN HG3 2.051 0.005 1 A 27 GLN HG3 1
271 1 27 GLN N 124.818 0.035 1 A 27 GLN N 1
272 1 27 GLN NE2 110.593 0.022 1 A 27 GLN NE2 1
273 1 28 ALA CA 50.633 0.200 1 A 28 ALA CA 1
274 1 28 ALA CB 22.922 0.200 1 A 28 ALA CB 1
275 1 28 ALA H 9.778 0.002 1 A 28 ALA H 1
276 1 28 ALA HA 4.831 0.020 1 A 28 ALA HA 1
277 1 28 ALA N 129.391 0.016 1 A 28 ALA N 1
278 1 28 ALA HB1 1.071 0.020 1 A 28 ALA HB1 1
279 1 28 ALA HB2 1.071 0.020 1 A 28 ALA HB2 1
280 1 28 ALA HB3 1.071 0.020 1 A 28 ALA HB3 1
281 1 29 LYS CA 55.550 0.001 1 A 29 LYS CA 1
282 1 29 LYS CB 31.794 0.049 1 A 29 LYS CB 1
283 1 29 LYS CD 28.945 0.200 1 A 29 LYS CD 1
284 1 29 LYS CE 42.210 0.068 1 A 29 LYS CE 1
285 1 29 LYS CG 25.473 0.006 1 A 29 LYS CG 1
286 1 29 LYS H 7.795 0.002 1 A 29 LYS H 1
287 1 29 LYS HA 4.434 0.020 1 A 29 LYS HA 1
288 1 29 LYS HB2 2.087 0.005 1 A 29 LYS HB2 1
289 1 29 LYS HB3 1.756 0.020 1 A 29 LYS HB3 1
290 1 29 LYS HG2 1.508 0.020 1 A 29 LYS HG2 1
291 1 29 LYS HG3 1.329 0.020 1 A 29 LYS HG3 1
292 1 29 LYS N 119.698 0.013 1 A 29 LYS N 1
293 1 29 LYS HD2 1.608 0.020 1 A 29 LYS HD2 1
294 1 29 LYS HD3 1.608 0.020 1 A 29 LYS HD3 1
295 1 29 LYS HE2 2.899 0.004 1 A 29 LYS HE2 1
296 1 29 LYS HE3 2.899 0.004 1 A 29 LYS HE3 1
297 1 30 GLY CA 44.560 0.016 1 A 30 GLY CA 1
298 1 30 GLY H 7.121 0.004 1 A 30 GLY H 1
299 1 30 GLY HA2 4.197 0.020 1 A 30 GLY HA2 1
300 1 30 GLY HA3 3.761 0.020 1 A 30 GLY HA3 1
301 1 30 GLY N 106.253 0.015 1 A 30 GLY N 1
302 1 31 PRO CA 63.726 0.200 1 A 31 PRO CA 1
303 1 31 PRO CB 31.818 0.012 1 A 31 PRO CB 1
304 1 31 PRO CD 49.081 0.200 1 A 31 PRO CD 1
305 1 31 PRO CG 27.306 0.200 1 A 31 PRO CG 1
306 1 31 PRO HA 4.442 0.020 1 A 31 PRO HA 1
307 1 31 PRO HB2 2.247 0.020 1 A 31 PRO HB2 1
308 1 31 PRO HB3 1.853 0.020 1 A 31 PRO HB3 1
309 1 31 PRO HD2 3.531 0.020 1 A 31 PRO HD2 1
310 1 31 PRO HD3 3.531 0.020 1 A 31 PRO HD3 1
311 1 31 PRO HG2 2.049 0.020 1 A 31 PRO HG2 1
312 1 31 PRO HG3 2.049 0.020 1 A 31 PRO HG3 1
313 1 32 ALA CA 51.166 0.200 1 A 32 ALA CA 1
314 1 32 ALA CB 24.717 0.200 1 A 32 ALA CB 1
315 1 32 ALA H 7.842 0.002 1 A 32 ALA H 1
316 1 32 ALA HA 5.177 0.020 1 A 32 ALA HA 1
317 1 32 ALA N 123.139 0.007 1 A 32 ALA N 1
318 1 32 ALA HB1 1.364 0.020 1 A 32 ALA HB1 1
319 1 32 ALA HB2 1.364 0.020 1 A 32 ALA HB2 1
320 1 32 ALA HB3 1.364 0.020 1 A 32 ALA HB3 1
321 1 33 GLU CA 54.678 0.028 1 A 33 GLU CA 1
322 1 33 GLU CB 34.900 0.028 1 A 33 GLU CB 1
323 1 33 GLU CG 37.732 0.038 1 A 33 GLU CG 1
324 1 33 GLU H 8.508 0.003 1 A 33 GLU H 1
325 1 33 GLU HA 5.123 0.020 1 A 33 GLU HA 1
326 1 33 GLU N 118.662 0.007 1 A 33 GLU N 1
327 1 33 GLU HB2 1.886 0.003 1 A 33 GLU HB2 1
328 1 33 GLU HB3 1.886 0.003 1 A 33 GLU HB3 1
329 1 33 GLU HG2 2.005 0.001 1 A 33 GLU HG2 1
330 1 33 GLU HG3 2.005 0.001 1 A 33 GLU HG3 1
331 1 34 PHE CA 55.794 0.061 1 A 34 PHE CA 1
332 1 34 PHE CB 42.353 0.038 1 A 34 PHE CB 1
333 1 34 PHE H 8.868 0.001 1 A 34 PHE H 1
334 1 34 PHE HA 5.123 0.020 1 A 34 PHE HA 1
335 1 34 PHE HB2 2.434 0.005 1 A 34 PHE HB2 1
336 1 34 PHE HB3 2.336 0.016 1 A 34 PHE HB3 1
337 1 34 PHE N 123.521 0.009 1 A 34 PHE N 1
338 1 35 GLU CA 54.831 0.031 1 A 35 GLU CA 1
339 1 35 GLU CB 32.950 0.074 1 A 35 GLU CB 1
340 1 35 GLU CG 36.248 0.092 1 A 35 GLU CG 1
341 1 35 GLU H 8.691 0.005 1 A 35 GLU H 1
342 1 35 GLU HA 5.123 0.004 1 A 35 GLU HA 1
343 1 35 GLU HB2 1.886 0.003 1 A 35 GLU HB2 1
344 1 35 GLU HB3 1.683 0.009 1 A 35 GLU HB3 1
345 1 35 GLU HG2 2.069 0.014 1 A 35 GLU HG2 1
346 1 35 GLU HG3 1.986 0.001 1 A 35 GLU HG3 1
347 1 35 GLU N 126.091 0.025 1 A 35 GLU N 1
348 1 36 GLY CA 45.829 0.027 1 A 36 GLY CA 1
349 1 36 GLY H 8.309 0.002 1 A 36 GLY H 1
350 1 36 GLY HA2 4.147 0.020 1 A 36 GLY HA2 1
351 1 36 GLY HA3 3.655 0.020 1 A 36 GLY HA3 1
352 1 36 GLY N 113.344 0.216 1 A 36 GLY N 1
353 1 37 GLY CA 47.160 0.050 1 A 37 GLY CA 1
354 1 37 GLY H 9.428 0.002 1 A 37 GLY H 1
355 1 37 GLY N 112.359 0.003 1 A 37 GLY N 1
356 1 37 GLY HA2 4.036 0.020 1 A 37 GLY HA2 1
357 1 37 GLY HA3 4.036 0.020 1 A 37 GLY HA3 1
358 1 38 GLY CA 45.111 0.016 1 A 38 GLY CA 1
359 1 38 GLY H 8.810 0.001 1 A 38 GLY H 1
360 1 38 GLY HA2 4.299 0.020 1 A 38 GLY HA2 1
361 1 38 GLY HA3 3.709 0.020 1 A 38 GLY HA3 1
362 1 38 GLY N 107.353 0.200 1 A 38 GLY N 1
363 1 39 THR CA 61.302 0.200 1 A 39 THR CA 1
364 1 39 THR CB 71.521 0.200 1 A 39 THR CB 1
365 1 39 THR CG2 21.279 0.200 1 A 39 THR CG2 1
366 1 39 THR H 7.780 0.020 1 A 39 THR H 1
367 1 39 THR HA 4.682 0.020 1 A 39 THR HA 1
368 1 39 THR HB 4.246 0.020 1 A 39 THR HB 1
369 1 39 THR N 115.713 0.007 1 A 39 THR N 1
370 1 39 THR HG21 1.267 0.020 1 A 39 THR HG21 1
371 1 39 THR HG22 1.267 0.020 1 A 39 THR HG22 1
372 1 39 THR HG23 1.267 0.020 1 A 39 THR HG23 1
373 1 40 ARG CA 55.342 0.019 1 A 40 ARG CA 1
374 1 40 ARG CB 32.879 0.065 1 A 40 ARG CB 1
375 1 40 ARG CD 43.585 0.014 1 A 40 ARG CD 1
376 1 40 ARG CG 27.372 0.063 1 A 40 ARG CG 1
377 1 40 ARG H 8.418 0.004 1 A 40 ARG H 1
378 1 40 ARG HA 5.316 0.020 1 A 40 ARG HA 1
379 1 40 ARG HG2 1.458 0.014 1 A 40 ARG HG2 1
380 1 40 ARG HG3 1.367 0.014 1 A 40 ARG HG3 1
381 1 40 ARG N 125.058 0.026 1 A 40 ARG N 1
382 1 40 ARG HB2 1.683 0.020 1 A 40 ARG HB2 1
383 1 40 ARG HB3 1.683 0.020 1 A 40 ARG HB3 1
384 1 40 ARG HD2 3.091 0.030 1 A 40 ARG HD2 1
385 1 40 ARG HD3 3.091 0.030 1 A 40 ARG HD3 1
386 1 41 THR CA 61.314 0.028 1 A 41 THR CA 1
387 1 41 THR CB 71.397 0.037 1 A 41 THR CB 1
388 1 41 THR CG2 20.455 0.032 1 A 41 THR CG2 1
389 1 41 THR H 9.003 0.003 1 A 41 THR H 1
390 1 41 THR HA 4.635 0.020 1 A 41 THR HA 1
391 1 41 THR HB 3.708 0.006 1 A 41 THR HB 1
392 1 41 THR N 120.829 0.037 1 A 41 THR N 1
393 1 41 THR HG21 0.973 0.020 1 A 41 THR HG21 1
394 1 41 THR HG22 0.973 0.020 1 A 41 THR HG22 1
395 1 41 THR HG23 0.973 0.020 1 A 41 THR HG23 1
396 1 42 ARG CA 55.878 0.042 1 A 42 ARG CA 1
397 1 42 ARG CB 31.203 0.027 1 A 42 ARG CB 1
398 1 42 ARG CD 43.297 0.030 1 A 42 ARG CD 1
399 1 42 ARG CG 27.974 0.040 1 A 42 ARG CG 1
400 1 42 ARG H 8.513 0.003 1 A 42 ARG H 1
401 1 42 ARG HA 4.868 0.002 1 A 42 ARG HA 1
402 1 42 ARG HG2 1.704 0.020 1 A 42 ARG HG2 1
403 1 42 ARG HG3 1.562 0.004 1 A 42 ARG HG3 1
404 1 42 ARG N 127.149 0.009 1 A 42 ARG N 1
405 1 42 ARG HB2 1.819 0.004 1 A 42 ARG HB2 1
406 1 42 ARG HB3 1.819 0.004 1 A 42 ARG HB3 1
407 1 42 ARG HD2 3.170 0.004 1 A 42 ARG HD2 1
408 1 42 ARG HD3 3.170 0.004 1 A 42 ARG HD3 1
409 1 43 LEU CA 53.644 0.055 1 A 43 LEU CA 1
410 1 43 LEU CB 43.881 0.076 1 A 43 LEU CB 1
411 1 43 LEU CD1 26.007 0.050 1 A 43 LEU CD1 1
412 1 43 LEU CD2 23.451 0.051 1 A 43 LEU CD2 1
413 1 43 LEU CG 27.222 0.090 1 A 43 LEU CG 1
414 1 43 LEU H 8.693 0.003 1 A 43 LEU H 1
415 1 43 LEU HA 4.657 0.017 1 A 43 LEU HA 1
416 1 43 LEU HB2 1.698 0.013 1 A 43 LEU HB2 1
417 1 43 LEU HB3 1.561 0.003 1 A 43 LEU HB3 1
418 1 43 LEU HG 1.506 0.010 1 A 43 LEU HG 1
419 1 43 LEU N 124.444 0.031 1 A 43 LEU N 1
420 1 43 LEU HD11 0.778 0.001 1 A 43 LEU HD11 1
421 1 43 LEU HD12 0.778 0.001 1 A 43 LEU HD12 1
422 1 43 LEU HD13 0.778 0.001 1 A 43 LEU HD13 1
423 1 43 LEU HD21 0.682 0.020 1 A 43 LEU HD21 1
424 1 43 LEU HD22 0.682 0.020 1 A 43 LEU HD22 1
425 1 43 LEU HD23 0.682 0.020 1 A 43 LEU HD23 1
426 1 44 ASN CA 50.948 0.024 1 A 44 ASN CA 1
427 1 44 ASN CB 38.342 0.024 1 A 44 ASN CB 1
428 1 44 ASN H 8.928 0.003 1 A 44 ASN H 1
429 1 44 ASN HA 5.026 0.020 1 A 44 ASN HA 1
430 1 44 ASN HB2 2.777 0.020 1 A 44 ASN HB2 1
431 1 44 ASN HB3 2.582 0.020 1 A 44 ASN HB3 1
432 1 44 ASN HD21 7.824 0.001 1 A 44 ASN HD21 1
433 1 44 ASN HD22 6.912 0.001 1 A 44 ASN HD22 1
434 1 44 ASN N 122.079 0.039 1 A 44 ASN N 1
435 1 44 ASN ND2 114.941 0.017 1 A 44 ASN ND2 1
436 1 45 PRO CA 63.895 0.041 1 A 45 PRO CA 1
437 1 45 PRO CB 31.377 0.039 1 A 45 PRO CB 1
438 1 45 PRO CD 50.323 0.074 1 A 45 PRO CD 1
439 1 45 PRO CG 27.796 0.038 1 A 45 PRO CG 1
440 1 45 PRO HA 4.147 0.020 1 A 45 PRO HA 1
441 1 45 PRO HD2 3.667 0.020 1 A 45 PRO HD2 1
442 1 45 PRO HD3 3.562 0.020 1 A 45 PRO HD3 1
443 1 45 PRO HG2 2.177 0.002 1 A 45 PRO HG2 1
444 1 45 PRO HG3 1.537 0.004 1 A 45 PRO HG3 1
445 1 45 PRO HB2 1.900 0.020 1 A 45 PRO HB2 1
446 1 45 PRO HB3 1.900 0.020 1 A 45 PRO HB3 1
447 1 46 GLY CA 45.603 0.013 1 A 46 GLY CA 1
448 1 46 GLY H 8.825 0.002 1 A 46 GLY H 1
449 1 46 GLY HA2 4.239 0.020 1 A 46 GLY HA2 1
450 1 46 GLY HA3 3.600 0.020 1 A 46 GLY HA3 1
451 1 46 GLY N 112.024 0.021 1 A 46 GLY N 1
452 1 47 GLU CA 55.855 0.200 1 A 47 GLU CA 1
453 1 47 GLU CB 31.709 0.200 1 A 47 GLU CB 1
454 1 47 GLU CG 36.846 0.200 1 A 47 GLU CG 1
455 1 47 GLU H 7.737 0.001 1 A 47 GLU H 1
456 1 47 GLU HA 4.494 0.020 1 A 47 GLU HA 1
457 1 47 GLU N 121.082 0.014 1 A 47 GLU N 1
458 1 47 GLU HB2 2.142 0.020 1 A 47 GLU HB2 1
459 1 47 GLU HB3 2.142 0.020 1 A 47 GLU HB3 1
460 1 47 GLU HG2 2.201 0.020 1 A 47 GLU HG2 1
461 1 47 GLU HG3 2.201 0.020 1 A 47 GLU HG3 1
462 1 48 SER CA 58.128 0.017 1 A 48 SER CA 1
463 1 48 SER CB 64.677 0.012 1 A 48 SER CB 1
464 1 48 SER H 8.581 0.001 1 A 48 SER H 1
465 1 48 SER HA 5.072 0.020 1 A 48 SER HA 1
466 1 48 SER HB2 3.697 0.011 1 A 48 SER HB2 1
467 1 48 SER HB3 3.614 0.003 1 A 48 SER HB3 1
468 1 48 SER N 118.362 0.007 1 A 48 SER N 1
469 1 49 TYR CA 57.621 0.200 1 A 49 TYR CA 1
470 1 49 TYR CB 41.597 0.200 1 A 49 TYR CB 1
471 1 49 TYR H 9.157 0.002 1 A 49 TYR H 1
472 1 49 TYR HA 4.529 0.020 1 A 49 TYR HA 1
473 1 49 TYR N 126.922 0.014 1 A 49 TYR N 1
474 1 49 TYR HB2 2.483 0.020 1 A 49 TYR HB2 1
475 1 49 TYR HB3 2.483 0.020 1 A 49 TYR HB3 1
476 1 50 LYS CA 54.927 0.200 1 A 50 LYS CA 1
477 1 50 LYS CB 34.692 0.001 1 A 50 LYS CB 1
478 1 50 LYS CD 29.389 0.200 1 A 50 LYS CD 1
479 1 50 LYS CE 41.933 0.009 1 A 50 LYS CE 1
480 1 50 LYS CG 25.364 0.047 1 A 50 LYS CG 1
481 1 50 LYS H 7.767 0.006 1 A 50 LYS H 1
482 1 50 LYS HA 5.122 0.020 1 A 50 LYS HA 1
483 1 50 LYS HB2 1.608 0.020 1 A 50 LYS HB2 1
484 1 50 LYS HB3 1.510 0.020 1 A 50 LYS HB3 1
485 1 50 LYS HG2 1.268 0.020 1 A 50 LYS HG2 1
486 1 50 LYS HG3 1.176 0.020 1 A 50 LYS HG3 1
487 1 50 LYS N 126.358 0.015 1 A 50 LYS N 1
488 1 50 LYS HD2 1.519 0.020 1 A 50 LYS HD2 1
489 1 50 LYS HD3 1.519 0.020 1 A 50 LYS HD3 1
490 1 50 LYS HE2 2.832 0.003 1 A 50 LYS HE2 1
491 1 50 LYS HE3 2.832 0.003 1 A 50 LYS HE3 1
492 1 51 PHE CA 57.370 0.200 1 A 51 PHE CA 1
493 1 51 PHE CB 43.050 0.040 1 A 51 PHE CB 1
494 1 51 PHE H 8.704 0.006 1 A 51 PHE H 1
495 1 51 PHE HA 4.550 0.020 1 A 51 PHE HA 1
496 1 51 PHE HB2 2.775 0.020 1 A 51 PHE HB2 1
497 1 51 PHE HB3 2.641 0.020 1 A 51 PHE HB3 1
498 1 51 PHE N 122.624 0.037 1 A 51 PHE N 1
499 1 52 GLU CA 54.100 0.014 1 A 52 GLU CA 1
500 1 52 GLU CB 32.888 0.008 1 A 52 GLU CB 1
501 1 52 GLU CG 35.817 0.010 1 A 52 GLU CG 1
502 1 52 GLU H 7.719 0.002 1 A 52 GLU H 1
503 1 52 GLU HA 4.826 0.001 1 A 52 GLU HA 1
504 1 52 GLU N 125.804 0.019 1 A 52 GLU N 1
505 1 52 GLU HB2 1.676 0.004 1 A 52 GLU HB2 1
506 1 52 GLU HB3 1.676 0.004 1 A 52 GLU HB3 1
507 1 52 GLU HG2 1.886 0.020 1 A 52 GLU HG2 1
508 1 52 GLU HG3 1.886 0.020 1 A 52 GLU HG3 1
509 1 53 ASN CA 51.074 0.200 1 A 53 ASN CA 1
510 1 53 ASN CB 38.485 0.046 1 A 53 ASN CB 1
511 1 53 ASN H 8.032 0.003 1 A 53 ASN H 1
512 1 53 ASN HA 4.784 0.020 1 A 53 ASN HA 1
513 1 53 ASN HB2 3.419 0.001 1 A 53 ASN HB2 1
514 1 53 ASN HB3 2.297 0.020 1 A 53 ASN HB3 1
515 1 53 ASN HD21 8.210 0.001 1 A 53 ASN HD21 1
516 1 53 ASN HD22 6.805 0.020 1 A 53 ASN HD22 1
517 1 53 ASN N 118.793 0.018 1 A 53 ASN N 1
518 1 53 ASN ND2 111.753 0.013 1 A 53 ASN ND2 1
519 1 54 LEU CA 54.097 0.027 1 A 54 LEU CA 1
520 1 54 LEU CB 40.833 0.200 1 A 54 LEU CB 1
521 1 54 LEU CD1 25.406 0.047 1 A 54 LEU CD1 1
522 1 54 LEU CD2 22.345 0.054 1 A 54 LEU CD2 1
523 1 54 LEU CG 27.079 0.006 1 A 54 LEU CG 1
524 1 54 LEU H 8.733 0.002 1 A 54 LEU H 1
525 1 54 LEU HA 4.634 0.020 1 A 54 LEU HA 1
526 1 54 LEU HB2 1.746 0.020 1 A 54 LEU HB2 1
527 1 54 LEU HB3 1.563 0.020 1 A 54 LEU HB3 1
528 1 54 LEU HG 1.381 0.020 1 A 54 LEU HG 1
529 1 54 LEU N 126.989 0.026 1 A 54 LEU N 1
530 1 54 LEU HD11 0.829 0.020 1 A 54 LEU HD11 1
531 1 54 LEU HD12 0.829 0.020 1 A 54 LEU HD12 1
532 1 54 LEU HD13 0.829 0.020 1 A 54 LEU HD13 1
533 1 54 LEU HD21 0.679 0.020 1 A 54 LEU HD21 1
534 1 54 LEU HD22 0.679 0.020 1 A 54 LEU HD22 1
535 1 54 LEU HD23 0.679 0.020 1 A 54 LEU HD23 1
536 1 55 THR CA 60.924 0.011 1 A 55 THR CA 1
537 1 55 THR CB 70.660 0.007 1 A 55 THR CB 1
538 1 55 THR CG2 21.260 0.011 1 A 55 THR CG2 1
539 1 55 THR H 8.206 0.001 1 A 55 THR H 1
540 1 55 THR HA 4.812 0.005 1 A 55 THR HA 1
541 1 55 THR HB 4.549 0.005 1 A 55 THR HB 1
542 1 55 THR N 112.440 0.037 1 A 55 THR N 1
543 1 55 THR HG21 1.318 0.020 1 A 55 THR HG21 1
544 1 55 THR HG22 1.318 0.020 1 A 55 THR HG22 1
545 1 55 THR HG23 1.318 0.020 1 A 55 THR HG23 1
546 1 56 SER CA 58.328 0.016 1 A 56 SER CA 1
547 1 56 SER CB 64.220 0.032 1 A 56 SER CB 1
548 1 56 SER H 8.208 0.002 1 A 56 SER H 1
549 1 56 SER HA 4.491 0.020 1 A 56 SER HA 1
550 1 56 SER HB2 4.086 0.010 1 A 56 SER HB2 1
551 1 56 SER HB3 3.929 0.029 1 A 56 SER HB3 1
552 1 56 SER N 110.220 0.009 1 A 56 SER N 1
553 1 57 GLN CA 52.857 0.200 1 A 57 GLN CA 1
554 1 57 GLN CB 30.953 0.001 1 A 57 GLN CB 1
555 1 57 GLN CG 33.257 0.010 1 A 57 GLN CG 1
556 1 57 GLN H 8.157 0.003 1 A 57 GLN H 1
557 1 57 GLN HA 4.977 0.020 1 A 57 GLN HA 1
558 1 57 GLN HB2 2.101 0.020 1 A 57 GLN HB2 1
559 1 57 GLN HB3 1.850 0.020 1 A 57 GLN HB3 1
560 1 57 GLN HE21 7.360 0.020 1 A 57 GLN HE21 1
561 1 57 GLN HE22 6.779 0.020 1 A 57 GLN HE22 1
562 1 57 GLN N 120.286 0.008 1 A 57 GLN N 1
563 1 57 GLN NE2 111.940 0.006 1 A 57 GLN NE2 1
564 1 57 GLN HG2 2.343 0.003 1 A 57 GLN HG2 1
565 1 57 GLN HG3 2.343 0.003 1 A 57 GLN HG3 1
566 1 58 PRO CA 63.132 0.200 1 A 58 PRO CA 1
567 1 58 PRO CB 31.963 0.010 1 A 58 PRO CB 1
568 1 58 PRO CD 50.712 0.061 1 A 58 PRO CD 1
569 1 58 PRO CG 27.871 0.018 1 A 58 PRO CG 1
570 1 58 PRO HA 4.394 0.020 1 A 58 PRO HA 1
571 1 58 PRO HB2 2.198 0.020 1 A 58 PRO HB2 1
572 1 58 PRO HB3 1.708 0.020 1 A 58 PRO HB3 1
573 1 58 PRO HD2 3.852 0.020 1 A 58 PRO HD2 1
574 1 58 PRO HD3 3.212 0.020 1 A 58 PRO HD3 1
575 1 58 PRO HG2 2.144 0.020 1 A 58 PRO HG2 1
576 1 58 PRO HG3 2.008 0.020 1 A 58 PRO HG3 1
577 1 59 LEU CA 53.310 0.200 1 A 59 LEU CA 1
578 1 59 LEU CB 46.004 0.200 1 A 59 LEU CB 1
579 1 59 LEU CD1 22.705 0.200 1 A 59 LEU CD1 1
580 1 59 LEU CD2 21.285 0.200 1 A 59 LEU CD2 1
581 1 59 LEU CG 26.183 0.200 1 A 59 LEU CG 1
582 1 59 LEU H 8.123 0.006 1 A 59 LEU H 1
583 1 59 LEU HA 4.737 0.020 1 A 59 LEU HA 1
584 1 59 LEU HG 0.968 0.020 1 A 59 LEU HG 1
585 1 59 LEU N 123.017 0.026 1 A 59 LEU N 1
586 1 59 LEU HB2 1.560 0.020 1 A 59 LEU HB2 1
587 1 59 LEU HB3 1.560 0.020 1 A 59 LEU HB3 1
588 1 59 LEU HD11 1.025 0.020 1 A 59 LEU HD11 1
589 1 59 LEU HD12 1.025 0.020 1 A 59 LEU HD12 1
590 1 59 LEU HD13 1.025 0.020 1 A 59 LEU HD13 1
591 1 59 LEU HD21 0.877 0.020 1 A 59 LEU HD21 1
592 1 59 LEU HD22 0.877 0.020 1 A 59 LEU HD22 1
593 1 59 LEU HD23 0.877 0.020 1 A 59 LEU HD23 1
594 1 60 ARG CA 55.059 0.018 1 A 60 ARG CA 1
595 1 60 ARG CB 31.645 0.040 1 A 60 ARG CB 1
596 1 60 ARG CD 43.316 0.085 1 A 60 ARG CD 1
597 1 60 ARG CG 27.647 0.066 1 A 60 ARG CG 1
598 1 60 ARG H 8.454 0.003 1 A 60 ARG H 1
599 1 60 ARG HA 4.973 0.020 1 A 60 ARG HA 1
600 1 60 ARG HB2 1.549 0.008 1 A 60 ARG HB2 1
601 1 60 ARG HB3 1.471 0.017 1 A 60 ARG HB3 1
602 1 60 ARG HG2 1.461 0.020 1 A 60 ARG HG2 1
603 1 60 ARG HG3 1.266 0.004 1 A 60 ARG HG3 1
604 1 60 ARG N 121.517 0.014 1 A 60 ARG N 1
605 1 60 ARG HD2 3.016 0.004 1 A 60 ARG HD2 1
606 1 60 ARG HD3 3.016 0.004 1 A 60 ARG HD3 1
607 1 61 ILE CA 58.653 0.047 1 A 61 ILE CA 1
608 1 61 ILE CB 39.974 0.053 1 A 61 ILE CB 1
609 1 61 ILE CD1 13.670 0.055 1 A 61 ILE CD1 1
610 1 61 ILE CG2 18.328 0.066 1 A 61 ILE CG2 1
611 1 61 ILE H 8.838 0.003 1 A 61 ILE H 1
612 1 61 ILE HA 4.585 0.001 1 A 61 ILE HA 1
613 1 61 ILE HB 1.425 0.005 1 A 61 ILE HB 1
614 1 61 ILE N 122.543 0.023 1 A 61 ILE N 1
615 1 61 ILE HD11 0.384 0.001 1 A 61 ILE HD11 1
616 1 61 ILE HD12 0.384 0.001 1 A 61 ILE HD12 1
617 1 61 ILE HD13 0.384 0.001 1 A 61 ILE HD13 1
618 1 61 ILE HG21 0.293 0.001 1 A 61 ILE HG21 1
619 1 61 ILE HG22 0.293 0.001 1 A 61 ILE HG22 1
620 1 61 ILE HG23 0.293 0.001 1 A 61 ILE HG23 1
621 1 62 ARG CA 54.883 0.042 1 A 62 ARG CA 1
622 1 62 ARG CB 33.080 0.056 1 A 62 ARG CB 1
623 1 62 ARG CD 43.344 0.034 1 A 62 ARG CD 1
624 1 62 ARG CG 27.839 0.054 1 A 62 ARG CG 1
625 1 62 ARG H 8.719 0.005 1 A 62 ARG H 1
626 1 62 ARG HA 4.873 0.005 1 A 62 ARG HA 1
627 1 62 ARG HG2 1.407 0.001 1 A 62 ARG HG2 1
628 1 62 ARG HG3 1.318 0.005 1 A 62 ARG HG3 1
629 1 62 ARG N 123.128 0.019 1 A 62 ARG N 1
630 1 62 ARG HB2 1.515 0.016 1 A 62 ARG HB2 1
631 1 62 ARG HB3 1.515 0.016 1 A 62 ARG HB3 1
632 1 62 ARG HD2 2.977 0.020 1 A 62 ARG HD2 1
633 1 62 ARG HD3 2.977 0.020 1 A 62 ARG HD3 1
634 1 63 LEU CA 52.820 0.032 1 A 63 LEU CA 1
635 1 63 LEU CB 42.840 0.044 1 A 63 LEU CB 1
636 1 63 LEU CD1 24.840 0.028 1 A 63 LEU CD1 1
637 1 63 LEU CD2 24.456 0.086 1 A 63 LEU CD2 1
638 1 63 LEU CG 26.519 0.030 1 A 63 LEU CG 1
639 1 63 LEU H 8.808 0.004 1 A 63 LEU H 1
640 1 63 LEU HA 4.821 0.020 1 A 63 LEU HA 1
641 1 63 LEU HB2 1.263 0.020 1 A 63 LEU HB2 1
642 1 63 LEU HB3 0.536 0.020 1 A 63 LEU HB3 1
643 1 63 LEU HG 1.412 0.020 1 A 63 LEU HG 1
644 1 63 LEU N 123.495 0.026 1 A 63 LEU N 1
645 1 63 LEU HD11 0.288 0.020 1 A 63 LEU HD11 1
646 1 63 LEU HD12 0.288 0.020 1 A 63 LEU HD12 1
647 1 63 LEU HD13 0.288 0.020 1 A 63 LEU HD13 1
648 1 63 LEU HD21 0.583 0.020 1 A 63 LEU HD21 1
649 1 63 LEU HD22 0.583 0.020 1 A 63 LEU HD22 1
650 1 63 LEU HD23 0.583 0.020 1 A 63 LEU HD23 1
651 1 64 ARG CA 54.816 0.200 1 A 64 ARG CA 1
652 1 64 ARG CB 34.047 0.040 1 A 64 ARG CB 1
653 1 64 ARG CD 43.160 0.200 1 A 64 ARG CD 1
654 1 64 ARG CG 28.225 0.026 1 A 64 ARG CG 1
655 1 64 ARG H 8.796 0.001 1 A 64 ARG H 1
656 1 64 ARG HA 5.010 0.020 1 A 64 ARG HA 1
657 1 64 ARG HB2 1.704 0.020 1 A 64 ARG HB2 1
658 1 64 ARG HB3 1.561 0.020 1 A 64 ARG HB3 1
659 1 64 ARG HG2 1.358 0.020 1 A 64 ARG HG2 1
660 1 64 ARG HG3 1.272 0.020 1 A 64 ARG HG3 1
661 1 64 ARG N 119.981 0.019 1 A 64 ARG N 1
662 1 64 ARG HD2 3.096 0.020 1 A 64 ARG HD2 1
663 1 64 ARG HD3 3.096 0.020 1 A 64 ARG HD3 1
664 1 65 ASN CA 52.656 0.033 1 A 65 ASN CA 1
665 1 65 ASN CB 39.299 0.028 1 A 65 ASN CB 1
666 1 65 ASN H 7.999 0.002 1 A 65 ASN H 1
667 1 65 ASN HA 4.736 0.020 1 A 65 ASN HA 1
668 1 65 ASN HB2 3.319 0.003 1 A 65 ASN HB2 1
669 1 65 ASN HB3 2.343 0.002 1 A 65 ASN HB3 1
670 1 65 ASN HD21 7.850 0.020 1 A 65 ASN HD21 1
671 1 65 ASN HD22 6.873 0.001 1 A 65 ASN HD22 1
672 1 65 ASN N 121.376 0.012 1 A 65 ASN N 1
673 1 65 ASN ND2 111.535 0.004 1 A 65 ASN ND2 1
674 1 66 LEU CA 54.437 0.200 1 A 66 LEU CA 1
675 1 66 LEU CB 41.808 0.008 1 A 66 LEU CB 1
676 1 66 LEU CD1 25.726 0.200 1 A 66 LEU CD1 1
677 1 66 LEU CD2 22.071 0.200 1 A 66 LEU CD2 1
678 1 66 LEU CG 27.204 0.200 1 A 66 LEU CG 1
679 1 66 LEU H 8.153 0.006 1 A 66 LEU H 1
680 1 66 LEU HA 4.585 0.020 1 A 66 LEU HA 1
681 1 66 LEU HB2 1.710 0.020 1 A 66 LEU HB2 1
682 1 66 LEU HB3 1.224 0.020 1 A 66 LEU HB3 1
683 1 66 LEU HG 1.425 0.020 1 A 66 LEU HG 1
684 1 66 LEU N 127.357 0.040 1 A 66 LEU N 1
685 1 66 LEU HD11 0.733 0.020 1 A 66 LEU HD11 1
686 1 66 LEU HD12 0.733 0.020 1 A 66 LEU HD12 1
687 1 66 LEU HD13 0.733 0.020 1 A 66 LEU HD13 1
688 1 66 LEU HD21 0.686 0.020 1 A 66 LEU HD21 1
689 1 66 LEU HD22 0.686 0.020 1 A 66 LEU HD22 1
690 1 66 LEU HD23 0.686 0.020 1 A 66 LEU HD23 1
691 1 67 SER CA 57.159 0.028 1 A 67 SER CA 1
692 1 67 SER CB 65.632 0.026 1 A 67 SER CB 1
693 1 67 SER H 8.881 0.001 1 A 67 SER H 1
694 1 67 SER HA 4.640 0.001 1 A 67 SER HA 1
695 1 67 SER HB2 4.194 0.001 1 A 67 SER HB2 1
696 1 67 SER HB3 4.050 0.001 1 A 67 SER HB3 1
697 1 67 SER N 118.483 0.022 1 A 67 SER N 1
698 1 68 ASP CA 53.830 0.200 1 A 68 ASP CA 1
699 1 68 ASP CB 40.942 0.018 1 A 68 ASP CB 1
700 1 68 ASP H 8.323 0.002 1 A 68 ASP H 1
701 1 68 ASP HA 4.641 0.020 1 A 68 ASP HA 1
702 1 68 ASP HB2 2.828 0.020 1 A 68 ASP HB2 1
703 1 68 ASP HB3 2.684 0.020 1 A 68 ASP HB3 1
704 1 68 ASP N 116.914 0.007 1 A 68 ASP N 1
705 1 69 THR CA 58.872 0.200 1 A 69 THR CA 1
706 1 69 THR CB 70.749 0.200 1 A 69 THR CB 1
707 1 69 THR CG2 20.958 0.200 1 A 69 THR CG2 1
708 1 69 THR H 7.885 0.002 1 A 69 THR H 1
709 1 69 THR HA 4.863 0.020 1 A 69 THR HA 1
710 1 69 THR HB 4.239 0.020 1 A 69 THR HB 1
711 1 69 THR N 112.909 0.012 1 A 69 THR N 1
712 1 69 THR HG21 1.171 0.020 1 A 69 THR HG21 1
713 1 69 THR HG22 1.171 0.020 1 A 69 THR HG22 1
714 1 69 THR HG23 1.171 0.020 1 A 69 THR HG23 1
715 1 70 PRO CA 63.906 0.200 1 A 70 PRO CA 1
716 1 70 PRO CB 31.679 0.046 1 A 70 PRO CB 1
717 1 70 PRO CD 51.051 0.042 1 A 70 PRO CD 1
718 1 70 PRO CG 28.354 0.200 1 A 70 PRO CG 1
719 1 70 PRO HA 4.398 0.020 1 A 70 PRO HA 1
720 1 70 PRO HB2 2.193 0.020 1 A 70 PRO HB2 1
721 1 70 PRO HB3 1.702 0.020 1 A 70 PRO HB3 1
722 1 70 PRO HD2 3.819 0.001 1 A 70 PRO HD2 1
723 1 70 PRO HD3 3.669 0.004 1 A 70 PRO HD3 1
724 1 70 PRO HG2 2.118 0.020 1 A 70 PRO HG2 1
725 1 70 PRO HG3 1.976 0.001 1 A 70 PRO HG3 1
726 1 71 ILE CA 58.799 0.023 1 A 71 ILE CA 1
727 1 71 ILE CB 43.145 0.200 1 A 71 ILE CB 1
728 1 71 ILE CD1 14.318 0.200 1 A 71 ILE CD1 1
729 1 71 ILE CG2 17.597 0.200 1 A 71 ILE CG2 1
730 1 71 ILE H 7.841 0.003 1 A 71 ILE H 1
731 1 71 ILE HA 4.737 0.004 1 A 71 ILE HA 1
732 1 71 ILE HB 1.365 0.020 1 A 71 ILE HB 1
733 1 71 ILE N 117.666 0.014 1 A 71 ILE N 1
734 1 71 ILE HD11 0.389 0.020 1 A 71 ILE HD11 1
735 1 71 ILE HD12 0.389 0.020 1 A 71 ILE HD12 1
736 1 71 ILE HD13 0.389 0.020 1 A 71 ILE HD13 1
737 1 71 ILE HG21 0.636 0.020 1 A 71 ILE HG21 1
738 1 71 ILE HG22 0.636 0.020 1 A 71 ILE HG22 1
739 1 71 ILE HG23 0.636 0.020 1 A 71 ILE HG23 1
740 1 72 GLU CA 54.992 0.200 1 A 72 GLU CA 1
741 1 72 GLU CB 32.877 0.200 1 A 72 GLU CB 1
742 1 72 GLU CG 37.686 0.017 1 A 72 GLU CG 1
743 1 72 GLU H 7.712 0.002 1 A 72 GLU H 1
744 1 72 GLU HA 5.025 0.020 1 A 72 GLU HA 1
745 1 72 GLU HG2 2.047 0.020 1 A 72 GLU HG2 1
746 1 72 GLU HG3 1.856 0.020 1 A 72 GLU HG3 1
747 1 72 GLU N 122.715 0.015 1 A 72 GLU N 1
748 1 72 GLU HB2 1.785 0.020 1 A 72 GLU HB2 1
749 1 72 GLU HB3 1.785 0.020 1 A 72 GLU HB3 1
750 1 73 PHE CA 56.711 0.006 1 A 73 PHE CA 1
751 1 73 PHE CB 41.985 0.055 1 A 73 PHE CB 1
752 1 73 PHE H 9.251 0.003 1 A 73 PHE H 1
753 1 73 PHE HA 5.127 0.001 1 A 73 PHE HA 1
754 1 73 PHE HB2 2.733 0.002 1 A 73 PHE HB2 1
755 1 73 PHE HB3 2.519 0.010 1 A 73 PHE HB3 1
756 1 73 PHE N 122.799 0.035 1 A 73 PHE N 1
757 1 74 ARG CA 55.025 0.048 1 A 74 ARG CA 1
758 1 74 ARG CB 32.713 0.129 1 A 74 ARG CB 1
759 1 74 ARG CD 43.618 0.049 1 A 74 ARG CD 1
760 1 74 ARG CG 27.387 0.114 1 A 74 ARG CG 1
761 1 74 ARG H 8.953 0.002 1 A 74 ARG H 1
762 1 74 ARG HA 5.072 0.005 1 A 74 ARG HA 1
763 1 74 ARG HB2 1.902 0.001 1 A 74 ARG HB2 1
764 1 74 ARG HB3 1.744 0.009 1 A 74 ARG HB3 1
765 1 74 ARG HG2 1.562 0.005 1 A 74 ARG HG2 1
766 1 74 ARG HG3 1.365 0.001 1 A 74 ARG HG3 1
767 1 74 ARG N 121.608 0.021 1 A 74 ARG N 1
768 1 74 ARG HD2 3.104 0.020 1 A 74 ARG HD2 1
769 1 74 ARG HD3 3.104 0.020 1 A 74 ARG HD3 1
770 1 75 ILE CA 60.950 0.200 1 A 75 ILE CA 1
771 1 75 ILE CB 40.523 0.015 1 A 75 ILE CB 1
772 1 75 ILE CD1 15.281 0.050 1 A 75 ILE CD1 1
773 1 75 ILE CG2 18.279 0.078 1 A 75 ILE CG2 1
774 1 75 ILE H 9.243 0.008 1 A 75 ILE H 1
775 1 75 ILE HA 4.825 0.020 1 A 75 ILE HA 1
776 1 75 ILE HB 1.901 0.020 1 A 75 ILE HB 1
777 1 75 ILE N 126.931 0.044 1 A 75 ILE N 1
778 1 75 ILE HD11 0.729 0.020 1 A 75 ILE HD11 1
779 1 75 ILE HD12 0.729 0.020 1 A 75 ILE HD12 1
780 1 75 ILE HD13 0.729 0.020 1 A 75 ILE HD13 1
781 1 75 ILE HG21 0.825 0.005 1 A 75 ILE HG21 1
782 1 75 ILE HG22 0.825 0.005 1 A 75 ILE HG22 1
783 1 75 ILE HG23 0.825 0.005 1 A 75 ILE HG23 1
784 1 76 ARG CA 55.187 0.057 1 A 76 ARG CA 1
785 1 76 ARG CB 33.276 0.024 1 A 76 ARG CB 1
786 1 76 ARG CD 43.543 0.200 1 A 76 ARG CD 1
787 1 76 ARG CG 28.364 0.219 1 A 76 ARG CG 1
788 1 76 ARG H 9.339 0.005 1 A 76 ARG H 1
789 1 76 ARG HA 5.314 0.004 1 A 76 ARG HA 1
790 1 76 ARG HB2 1.896 0.020 1 A 76 ARG HB2 1
791 1 76 ARG HB3 1.805 0.020 1 A 76 ARG HB3 1
792 1 76 ARG HG2 1.610 0.020 1 A 76 ARG HG2 1
793 1 76 ARG HG3 1.513 0.020 1 A 76 ARG HG3 1
794 1 76 ARG N 129.118 0.031 1 A 76 ARG N 1
795 1 76 ARG HD2 3.144 0.020 1 A 76 ARG HD2 1
796 1 76 ARG HD3 3.144 0.020 1 A 76 ARG HD3 1
797 1 77 GLU CA 55.382 0.083 1 A 77 GLU CA 1
798 1 77 GLU CB 33.346 0.043 1 A 77 GLU CB 1
799 1 77 GLU CG 37.060 0.143 1 A 77 GLU CG 1
800 1 77 GLU H 8.877 0.012 1 A 77 GLU H 1
801 1 77 GLU HA 5.121 0.005 1 A 77 GLU HA 1
802 1 77 GLU HB2 2.144 0.020 1 A 77 GLU HB2 1
803 1 77 GLU HB3 1.944 0.005 1 A 77 GLU HB3 1
804 1 77 GLU N 125.236 0.023 1 A 77 GLU N 1
805 1 77 GLU HG2 2.189 0.005 1 A 77 GLU HG2 1
806 1 77 GLU HG3 2.189 0.005 1 A 77 GLU HG3 1
807 1 78 GLU CA 57.947 0.005 1 A 78 GLU CA 1
808 1 78 GLU CB 32.639 0.015 1 A 78 GLU CB 1
809 1 78 GLU CG 36.821 0.023 1 A 78 GLU CG 1
810 1 78 GLU H 8.682 0.003 1 A 78 GLU H 1
811 1 78 GLU HA 4.390 0.020 1 A 78 GLU HA 1
812 1 78 GLU HB2 2.090 0.020 1 A 78 GLU HB2 1
813 1 78 GLU HB3 1.904 0.020 1 A 78 GLU HB3 1
814 1 78 GLU N 127.995 0.010 1 A 78 GLU N 1
815 1 78 GLU HG2 2.155 0.020 1 A 78 GLU HG2 1
816 1 78 GLU HG3 2.155 0.020 1 A 78 GLU HG3 1
stop_
save_