###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 25979
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
2 '3D HNCACB' 1 $sample_1 isotropic 25979 1
3 '3D CBCA(CO)NH' 1 $sample_1 isotropic 25979 1
4 '3D HNCO' 1 $sample_1 isotropic 25979 1
5 '3D 1H-15N NOESY' 1 $sample_1 isotropic 25979 1
6 '3D 1H-13C NOESY aliphatic' 2 $sample_2 isotropic 25979 1
9 '3D HN(CA)CO' 1 $sample_1 isotropic 25979 1
10 '3D half-filtered NOESY' 2 $sample_2 isotropic 25979 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $XEASY . . 25979 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 1 1 ASN HA H 1 4.509 0.012 . 1 . . . . A 20 ASN HA . 25979 1
2 . 1 1 1 1 ASN HB2 H 1 2.498 0.008 . 2 . . . . A 20 ASN HB2 . 25979 1
3 . 1 1 1 1 ASN HD21 H 1 6.800 0.002 . 2 . . . . A 20 ASN HD21 . 25979 1
4 . 1 1 1 1 ASN HD22 H 1 7.399 0.003 . 2 . . . . A 20 ASN HD22 . 25979 1
5 . 1 1 1 1 ASN C C 13 174.264 0.000 . 1 . . . . A 20 ASN C . 25979 1
6 . 1 1 1 1 ASN CA C 13 52.908 0.000 . 1 . . . . A 20 ASN CA . 25979 1
7 . 1 1 1 1 ASN CB C 13 38.679 0.000 . 1 . . . . A 20 ASN CB . 25979 1
8 . 1 1 1 1 ASN N N 15 120.374 0.000 . 1 . . . . A 20 ASN N . 25979 1
9 . 1 1 1 1 ASN ND2 N 15 112.514 0.000 . 1 . . . . A 20 ASN ND2 . 25979 1
10 . 1 1 2 2 LYS H H 1 7.970 0.000 . 1 . . . . A 21 LYS H . 25979 1
11 . 1 1 2 2 LYS HA H 1 4.042 0.006 . 1 . . . . A 21 LYS HA . 25979 1
12 . 1 1 2 2 LYS HB2 H 1 1.586 0.007 . 2 . . . . A 21 LYS HB2 . 25979 1
13 . 1 1 2 2 LYS HB3 H 1 1.480 0.003 . 2 . . . . A 21 LYS HB3 . 25979 1
14 . 1 1 2 2 LYS HG2 H 1 1.15 0.007 . 2 . . . . A 21 LYS HG2 . 25979 1
15 . 1 1 2 2 LYS HD2 H 1 1.504 0.004 . 2 . . . . A 21 LYS HD2 . 25979 1
16 . 1 1 2 2 LYS HE2 H 1 2.842 0.009 . 2 . . . . A 21 LYS HE2 . 25979 1
17 . 1 1 2 2 LYS C C 13 175.817 0.000 . 1 . . . . A 21 LYS C . 25979 1
18 . 1 1 2 2 LYS CA C 13 55.848 0.000 . 1 . . . . A 21 LYS CA . 25979 1
19 . 1 1 2 2 LYS CB C 13 32.784 0.000 . 1 . . . . A 21 LYS CB . 25979 1
20 . 1 1 2 2 LYS CG C 13 24.191 0.000 . 1 . . . . A 21 LYS CG . 25979 1
21 . 1 1 2 2 LYS CD C 13 28.865 0.000 . 1 . . . . A 21 LYS CD . 25979 1
22 . 1 1 2 2 LYS CE C 13 41.575 0.000 . 1 . . . . A 21 LYS CE . 25979 1
23 . 1 1 2 2 LYS N N 15 120.843 0.000 . 1 . . . . A 21 LYS N . 25979 1
24 . 1 1 3 3 TYR H H 1 8.145 0.000 . 1 . . . . A 22 TYR H . 25979 1
25 . 1 1 3 3 TYR HA H 1 4.917 0.007 . 1 . . . . A 22 TYR HA . 25979 1
26 . 1 1 3 3 TYR HB2 H 1 3.104 0.007 . 2 . . . . A 22 TYR HB2 . 25979 1
27 . 1 1 3 3 TYR HB3 H 1 2.624 0.005 . 2 . . . . A 22 TYR HB3 . 25979 1
28 . 1 1 3 3 TYR HD1 H 1 6.637 0.004 . 3 . . . . A 22 TYR HD1 . 25979 1
29 . 1 1 3 3 TYR HE1 H 1 6.015 0.002 . 3 . . . . A 22 TYR HE1 . 25979 1
30 . 1 1 3 3 TYR C C 13 176.354 0.000 . 1 . . . . A 22 TYR C . 25979 1
31 . 1 1 3 3 TYR CA C 13 54.831 0.000 . 1 . . . . A 22 TYR CA . 25979 1
32 . 1 1 3 3 TYR CB C 13 37.546 0.000 . 1 . . . . A 22 TYR CB . 25979 1
33 . 1 1 3 3 TYR CD1 C 13 131.381 0.000 . 3 . . . . A 22 TYR CD1 . 25979 1
34 . 1 1 3 3 TYR CE1 C 13 117.389 0.000 . 3 . . . . A 22 TYR CE1 . 25979 1
35 . 1 1 3 3 TYR N N 15 122.249 0.000 . 1 . . . . A 22 TYR N . 25979 1
36 . 1 1 4 4 LEU H H 1 8.61 0.000 . 1 . . . . A 23 LEU H . 25979 1
37 . 1 1 4 4 LEU HA H 1 3.927 0.005 . 1 . . . . A 23 LEU HA . 25979 1
38 . 1 1 4 4 LEU HB2 H 1 1.016 0.004 . 2 . . . . A 23 LEU HB2 . 25979 1
39 . 1 1 4 4 LEU HB3 H 1 0.497 0.006 . 2 . . . . A 23 LEU HB3 . 25979 1
40 . 1 1 4 4 LEU HG H 1 1.576 0.000 . 1 . . . . A 23 LEU HG . 25979 1
41 . 1 1 4 4 LEU HD11 H 1 0.509 0.008 . 2 . . . . A 23 LEU HD11 . 25979 1
42 . 1 1 4 4 LEU HD12 H 1 0.509 0.008 . 2 . . . . A 23 LEU HD12 . 25979 1
43 . 1 1 4 4 LEU HD13 H 1 0.509 0.008 . 2 . . . . A 23 LEU HD13 . 25979 1
44 . 1 1 4 4 LEU HD21 H 1 0.588 0.009 . 2 . . . . A 23 LEU HD21 . 25979 1
45 . 1 1 4 4 LEU HD22 H 1 0.588 0.009 . 2 . . . . A 23 LEU HD22 . 25979 1
46 . 1 1 4 4 LEU HD23 H 1 0.588 0.009 . 2 . . . . A 23 LEU HD23 . 25979 1
47 . 1 1 4 4 LEU C C 13 176.957 0.000 . 1 . . . . A 23 LEU C . 25979 1
48 . 1 1 4 4 LEU CA C 13 57.099 0.000 . 1 . . . . A 23 LEU CA . 25979 1
49 . 1 1 4 4 LEU CB C 13 41.378 0.000 . 1 . . . . A 23 LEU CB . 25979 1
50 . 1 1 4 4 LEU CG C 13 26.487 0.000 . 1 . . . . A 23 LEU CG . 25979 1
51 . 1 1 4 4 LEU CD1 C 13 25.608 0.037 . 2 . . . . A 23 LEU CD1 . 25979 1
52 . 1 1 4 4 LEU CD2 C 13 22.034 0.018 . 2 . . . . A 23 LEU CD2 . 25979 1
53 . 1 1 4 4 LEU N N 15 123.177 0.000 . 1 . . . . A 23 LEU N . 25979 1
54 . 1 1 5 5 VAL H H 1 7.073 0.000 . 1 . . . . A 24 VAL H . 25979 1
55 . 1 1 5 5 VAL HA H 1 4.390 0.000 . 1 . . . . A 24 VAL HA . 25979 1
56 . 1 1 5 5 VAL HB H 1 2.148 0.001 . 1 . . . . A 24 VAL HB . 25979 1
57 . 1 1 5 5 VAL HG11 H 1 1.131 0.007 . 2 . . . . A 24 VAL HG11 . 25979 1
58 . 1 1 5 5 VAL HG12 H 1 1.131 0.007 . 2 . . . . A 24 VAL HG12 . 25979 1
59 . 1 1 5 5 VAL HG13 H 1 1.131 0.007 . 2 . . . . A 24 VAL HG13 . 25979 1
60 . 1 1 5 5 VAL HG21 H 1 0.865 0.000 . 2 . . . . A 24 VAL HG21 . 25979 1
61 . 1 1 5 5 VAL HG22 H 1 0.865 0.000 . 2 . . . . A 24 VAL HG22 . 25979 1
62 . 1 1 5 5 VAL HG23 H 1 0.865 0.000 . 2 . . . . A 24 VAL HG23 . 25979 1
63 . 1 1 5 5 VAL C C 13 171.829 0.000 . 1 . . . . A 24 VAL C . 25979 1
64 . 1 1 5 5 VAL CA C 13 60.327 0.000 . 1 . . . . A 24 VAL CA . 25979 1
65 . 1 1 5 5 VAL CB C 13 34.573 0.000 . 1 . . . . A 24 VAL CB . 25979 1
66 . 1 1 5 5 VAL CG1 C 13 22.551 0.000 . 2 . . . . A 24 VAL CG1 . 25979 1
67 . 1 1 5 5 VAL CG2 C 13 20.236 0.000 . 2 . . . . A 24 VAL CG2 . 25979 1
68 . 1 1 5 5 VAL N N 15 112.163 0.000 . 1 . . . . A 24 VAL N . 25979 1
69 . 1 1 6 6 GLU H H 1 8.092 0.000 . 1 . . . . A 25 GLU H . 25979 1
70 . 1 1 6 6 GLU HA H 1 5.272 0.007 . 1 . . . . A 25 GLU HA . 25979 1
71 . 1 1 6 6 GLU HB2 H 1 1.916 0.000 . 2 . . . . A 25 GLU HB2 . 25979 1
72 . 1 1 6 6 GLU HB3 H 1 1.798 0.000 . 2 . . . . A 25 GLU HB3 . 25979 1
73 . 1 1 6 6 GLU HG2 H 1 2.007 0.007 . 2 . . . . A 25 GLU HG2 . 25979 1
74 . 1 1 6 6 GLU HG3 H 1 1.913 0.000 . 2 . . . . A 25 GLU HG3 . 25979 1
75 . 1 1 6 6 GLU C C 13 174.085 0.000 . 1 . . . . A 25 GLU C . 25979 1
76 . 1 1 6 6 GLU CA C 13 54.748 0.000 . 1 . . . . A 25 GLU CA . 25979 1
77 . 1 1 6 6 GLU CB C 13 33.318 0.000 . 1 . . . . A 25 GLU CB . 25979 1
78 . 1 1 6 6 GLU CG C 13 35.507 0.000 . 1 . . . . A 25 GLU CG . 25979 1
79 . 1 1 6 6 GLU N N 15 123.421 0.000 . 1 . . . . A 25 GLU N . 25979 1
80 . 1 1 7 7 PHE H H 1 8.269 0.000 . 1 . . . . A 26 PHE H . 25979 1
81 . 1 1 7 7 PHE HA H 1 4.532 0.000 . 1 . . . . A 26 PHE HA . 25979 1
82 . 1 1 7 7 PHE HB2 H 1 2.495 0.000 . 2 . . . . A 26 PHE HB2 . 25979 1
83 . 1 1 7 7 PHE HB3 H 1 2.315 0.000 . 2 . . . . A 26 PHE HB3 . 25979 1
84 . 1 1 7 7 PHE HD1 H 1 6.524 0.002 . 3 . . . . A 26 PHE HD1 . 25979 1
85 . 1 1 7 7 PHE HE1 H 1 6.600 0.002 . 3 . . . . A 26 PHE HE1 . 25979 1
86 . 1 1 7 7 PHE HZ H 1 6.918 0.000 . 1 . . . . A 26 PHE HZ . 25979 1
87 . 1 1 7 7 PHE C C 13 173.199 0.000 . 1 . . . . A 26 PHE C . 25979 1
88 . 1 1 7 7 PHE CA C 13 56.173 0.000 . 1 . . . . A 26 PHE CA . 25979 1
89 . 1 1 7 7 PHE CB C 13 38.648 0.000 . 1 . . . . A 26 PHE CB . 25979 1
90 . 1 1 7 7 PHE CD1 C 13 127.653 0.000 . 3 . . . . A 26 PHE CD1 . 25979 1
91 . 1 1 7 7 PHE CE1 C 13 128.970 0.000 . 3 . . . . A 26 PHE CE1 . 25979 1
92 . 1 1 7 7 PHE N N 15 115.209 0.000 . 1 . . . . A 26 PHE N . 25979 1
93 . 1 1 8 8 ARG H H 1 9.997 0.000 . 1 . . . . A 27 ARG H . 25979 1
94 . 1 1 8 8 ARG HA H 1 4.515 0.004 . 1 . . . . A 27 ARG HA . 25979 1
95 . 1 1 8 8 ARG HB2 H 1 1.819 0.011 . 2 . . . . A 27 ARG HB2 . 25979 1
96 . 1 1 8 8 ARG HB3 H 1 1.544 0.006 . 2 . . . . A 27 ARG HB3 . 25979 1
97 . 1 1 8 8 ARG HG2 H 1 1.823 0.004 . 2 . . . . A 27 ARG HG2 . 25979 1
98 . 1 1 8 8 ARG HG3 H 1 1.353 0.009 . 2 . . . . A 27 ARG HG3 . 25979 1
99 . 1 1 8 8 ARG HD2 H 1 3.175 0.008 . 2 . . . . A 27 ARG HD2 . 25979 1
100 . 1 1 8 8 ARG HD3 H 1 2.938 0.005 . 2 . . . . A 27 ARG HD3 . 25979 1
101 . 1 1 8 8 ARG C C 13 176.124 0.000 . 1 . . . . A 27 ARG C . 25979 1
102 . 1 1 8 8 ARG CA C 13 56.742 0.000 . 1 . . . . A 27 ARG CA . 25979 1
103 . 1 1 8 8 ARG CB C 13 31.210 0.000 . 1 . . . . A 27 ARG CB . 25979 1
104 . 1 1 8 8 ARG CG C 13 27.635 0.000 . 1 . . . . A 27 ARG CG . 25979 1
105 . 1 1 8 8 ARG CD C 13 43.871 0.000 . 1 . . . . A 27 ARG CD . 25979 1
106 . 1 1 8 8 ARG N N 15 121.068 0.000 . 1 . . . . A 27 ARG N . 25979 1
107 . 1 1 9 9 ALA H H 1 7.994 0.000 . 1 . . . . A 28 ALA H . 25979 1
108 . 1 1 9 9 ALA HA H 1 4.673 0.000 . 1 . . . . A 28 ALA HA . 25979 1
109 . 1 1 9 9 ALA HB1 H 1 1.597 0.000 . 1 . . . . A 28 ALA HB1 . 25979 1
110 . 1 1 9 9 ALA HB2 H 1 1.597 0.000 . 1 . . . . A 28 ALA HB2 . 25979 1
111 . 1 1 9 9 ALA HB3 H 1 1.597 0.000 . 1 . . . . A 28 ALA HB3 . 25979 1
112 . 1 1 9 9 ALA C C 13 176.046 0.000 . 1 . . . . A 28 ALA C . 25979 1
113 . 1 1 9 9 ALA CA C 13 52.719 0.000 . 1 . . . . A 28 ALA CA . 25979 1
114 . 1 1 9 9 ALA CB C 13 22.050 0.000 . 1 . . . . A 28 ALA CB . 25979 1
115 . 1 1 9 9 ALA N N 15 125.989 0.000 . 1 . . . . A 28 ALA N . 25979 1
116 . 1 1 10 10 GLY H H 1 8.704 0.000 . 1 . . . . A 29 GLY H . 25979 1
117 . 1 1 10 10 GLY HA2 H 1 4.521 0.000 . 2 . . . . A 29 GLY HA2 . 25979 1
118 . 1 1 10 10 GLY HA3 H 1 2.822 0.007 . 2 . . . . A 29 GLY HA3 . 25979 1
119 . 1 1 10 10 GLY C C 13 173.573 0.000 . 1 . . . . A 29 GLY C . 25979 1
120 . 1 1 10 10 GLY CA C 13 42.887 0.000 . 1 . . . . A 29 GLY CA . 25979 1
121 . 1 1 10 10 GLY N N 15 108.882 0.000 . 1 . . . . A 29 GLY N . 25979 1
122 . 1 1 11 11 LYS H H 1 9.442 0.000 . 1 . . . . A 30 LYS H . 25979 1
123 . 1 1 11 11 LYS HA H 1 4.835 0.004 . 1 . . . . A 30 LYS HA . 25979 1
124 . 1 1 11 11 LYS HB2 H 1 1.113 0.009 . 2 . . . . A 30 LYS HB2 . 25979 1
125 . 1 1 11 11 LYS HG2 H 1 0.525 0.010 . 2 . . . . A 30 LYS HG2 . 25979 1
126 . 1 1 11 11 LYS HG3 H 1 -0.065 0.015 . 2 . . . . A 30 LYS HG3 . 25979 1
127 . 1 1 11 11 LYS HD2 H 1 0.777 0.034 . 2 . . . . A 30 LYS HD2 . 25979 1
128 . 1 1 11 11 LYS HD3 H 1 0.678 0.010 . 2 . . . . A 30 LYS HD3 . 25979 1
129 . 1 1 11 11 LYS HE2 H 1 1.603 0.000 . 2 . . . . A 30 LYS HE2 . 25979 1
130 . 1 1 11 11 LYS HE3 H 1 2.106 0.000 . 2 . . . . A 30 LYS HE3 . 25979 1
131 . 1 1 11 11 LYS C C 13 176.700 0.000 . 1 . . . . A 30 LYS C . 25979 1
132 . 1 1 11 11 LYS CA C 13 55.848 0.000 . 1 . . . . A 30 LYS CA . 25979 1
133 . 1 1 11 11 LYS CB C 13 34.495 0.000 . 1 . . . . A 30 LYS CB . 25979 1
134 . 1 1 11 11 LYS CG C 13 24.519 0.000 . 1 . . . . A 30 LYS CG . 25979 1
135 . 1 1 11 11 LYS CD C 13 28.966 0.010 . 1 . . . . A 30 LYS CD . 25979 1
136 . 1 1 11 11 LYS CE C 13 39.766 0.061 . 1 . . . . A 30 LYS CE . 25979 1
137 . 1 1 11 11 LYS N N 15 118.724 0.000 . 1 . . . . A 30 LYS N . 25979 1
138 . 1 1 12 12 MET H H 1 7.307 0.000 . 1 . . . . A 31 MET H . 25979 1
139 . 1 1 12 12 MET HA H 1 4.776 0.000 . 1 . . . . A 31 MET HA . 25979 1
140 . 1 1 12 12 MET HB2 H 1 1.814 0.006 . 2 . . . . A 31 MET HB2 . 25979 1
141 . 1 1 12 12 MET HB3 H 1 1.373 0.009 . 2 . . . . A 31 MET HB3 . 25979 1
142 . 1 1 12 12 MET HG2 H 1 2.442 0.006 . 2 . . . . A 31 MET HG2 . 25979 1
143 . 1 1 12 12 MET HG3 H 1 2.375 0.019 . 2 . . . . A 31 MET HG3 . 25979 1
144 . 1 1 12 12 MET HE1 H 1 1.671 0.007 . 1 . . . . A 31 MET HE1 . 25979 1
145 . 1 1 12 12 MET HE2 H 1 1.671 0.007 . 1 . . . . A 31 MET HE2 . 25979 1
146 . 1 1 12 12 MET HE3 H 1 1.671 0.007 . 1 . . . . A 31 MET HE3 . 25979 1
147 . 1 1 12 12 MET C C 13 173.863 0.000 . 1 . . . . A 31 MET C . 25979 1
148 . 1 1 12 12 MET CA C 13 54.127 0.000 . 1 . . . . A 31 MET CA . 25979 1
149 . 1 1 12 12 MET CB C 13 36.089 0.000 . 1 . . . . A 31 MET CB . 25979 1
150 . 1 1 12 12 MET CG C 13 33.539 0.000 . 1 . . . . A 31 MET CG . 25979 1
151 . 1 1 12 12 MET CE C 13 18.283 0.000 . 1 . . . . A 31 MET CE . 25979 1
152 . 1 1 12 12 MET N N 15 114.037 0.000 . 1 . . . . A 31 MET N . 25979 1
153 . 1 1 13 13 SER H H 1 8.760 0.000 . 1 . . . . A 32 SER H . 25979 1
154 . 1 1 13 13 SER HA H 1 4.764 0.000 . 1 . . . . A 32 SER HA . 25979 1
155 . 1 1 13 13 SER HB2 H 1 3.687 0.002 . 2 . . . . A 32 SER HB2 . 25979 1
156 . 1 1 13 13 SER HB3 H 1 3.647 0.002 . 2 . . . . A 32 SER HB3 . 25979 1
157 . 1 1 13 13 SER C C 13 171.650 0.000 . 1 . . . . A 32 SER C . 25979 1
158 . 1 1 13 13 SER CA C 13 56.873 0.000 . 1 . . . . A 32 SER CA . 25979 1
159 . 1 1 13 13 SER CB C 13 64.760 0.000 . 1 . . . . A 32 SER CB . 25979 1
160 . 1 1 13 13 SER N N 15 115.443 0.000 . 1 . . . . A 32 SER N . 25979 1
161 . 1 1 14 14 LEU H H 1 8.574 0.000 . 1 . . . . A 33 LEU H . 25979 1
162 . 1 1 14 14 LEU HA H 1 4.629 0.000 . 1 . . . . A 33 LEU HA . 25979 1
163 . 1 1 14 14 LEU HB2 H 1 1.823 0.000 . 2 . . . . A 33 LEU HB2 . 25979 1
164 . 1 1 14 14 LEU HB3 H 1 1.136 0.000 . 2 . . . . A 33 LEU HB3 . 25979 1
165 . 1 1 14 14 LEU HG H 1 1.228 0.000 . 1 . . . . A 33 LEU HG . 25979 1
166 . 1 1 14 14 LEU HD11 H 1 0.942 0.006 . 2 . . . . A 33 LEU HD11 . 25979 1
167 . 1 1 14 14 LEU HD12 H 1 0.942 0.006 . 2 . . . . A 33 LEU HD12 . 25979 1
168 . 1 1 14 14 LEU HD13 H 1 0.942 0.006 . 2 . . . . A 33 LEU HD13 . 25979 1
169 . 1 1 14 14 LEU HD21 H 1 0.542 0.000 . 2 . . . . A 33 LEU HD21 . 25979 1
170 . 1 1 14 14 LEU HD22 H 1 0.542 0.000 . 2 . . . . A 33 LEU HD22 . 25979 1
171 . 1 1 14 14 LEU HD23 H 1 0.542 0.000 . 2 . . . . A 33 LEU HD23 . 25979 1
172 . 1 1 14 14 LEU C C 13 175.682 0.000 . 1 . . . . A 33 LEU C . 25979 1
173 . 1 1 14 14 LEU CA C 13 53.971 0.000 . 1 . . . . A 33 LEU CA . 25979 1
174 . 1 1 14 14 LEU CB C 13 43.935 0.000 . 1 . . . . A 33 LEU CB . 25979 1
175 . 1 1 14 14 LEU CG C 13 27.650 0.000 . 1 . . . . A 33 LEU CG . 25979 1
176 . 1 1 14 14 LEU CD1 C 13 26.082 0.000 . 2 . . . . A 33 LEU CD1 . 25979 1
177 . 1 1 14 14 LEU CD2 C 13 23.704 0.000 . 2 . . . . A 33 LEU CD2 . 25979 1
178 . 1 1 14 14 LEU N N 15 125.989 0.000 . 1 . . . . A 33 LEU N . 25979 1
179 . 1 1 15 15 LYS H H 1 8.593 0.000 . 1 . . . . A 34 LYS H . 25979 1
180 . 1 1 15 15 LYS HA H 1 4.440 0.000 . 1 . . . . A 34 LYS HA . 25979 1
181 . 1 1 15 15 LYS HB2 H 1 1.775 0.000 . 2 . . . . A 34 LYS HB2 . 25979 1
182 . 1 1 15 15 LYS HB3 H 1 1.628 0.000 . 2 . . . . A 34 LYS HB3 . 25979 1
183 . 1 1 15 15 LYS HG2 H 1 1.343 0.003 . 2 . . . . A 34 LYS HG2 . 25979 1
184 . 1 1 15 15 LYS HG3 H 1 1.259 0.007 . 2 . . . . A 34 LYS HG3 . 25979 1
185 . 1 1 15 15 LYS HD2 H 1 1.652 0.002 . 2 . . . . A 34 LYS HD2 . 25979 1
186 . 1 1 15 15 LYS HE2 H 1 2.926 0.000 . 2 . . . . A 34 LYS HE2 . 25979 1
187 . 1 1 15 15 LYS C C 13 176.114 0.000 . 1 . . . . A 34 LYS C . 25979 1
188 . 1 1 15 15 LYS CA C 13 55.853 0.000 . 1 . . . . A 34 LYS CA . 25979 1
189 . 1 1 15 15 LYS CB C 13 33.635 0.000 . 1 . . . . A 34 LYS CB . 25979 1
190 . 1 1 15 15 LYS CG C 13 24.619 0.000 . 1 . . . . A 34 LYS CG . 25979 1
191 . 1 1 15 15 LYS CD C 13 28.865 0.000 . 1 . . . . A 34 LYS CD . 25979 1
192 . 1 1 15 15 LYS CE C 13 41.821 0.000 . 1 . . . . A 34 LYS CE . 25979 1
193 . 1 1 15 15 LYS N N 15 129.738 0.000 . 1 . . . . A 34 LYS N . 25979 1
194 . 1 1 16 16 GLY H H 1 8.992 0.000 . 1 . . . . A 35 GLY H . 25979 1
195 . 1 1 16 16 GLY HA2 H 1 4.184 0.000 . 2 . . . . A 35 GLY HA2 . 25979 1
196 . 1 1 16 16 GLY HA3 H 1 3.606 0.000 . 2 . . . . A 35 GLY HA3 . 25979 1
197 . 1 1 16 16 GLY C C 13 174.026 0.000 . 1 . . . . A 35 GLY C . 25979 1
198 . 1 1 16 16 GLY CA C 13 46.646 0.000 . 1 . . . . A 35 GLY CA . 25979 1
199 . 1 1 16 16 GLY N N 15 117.552 0.000 . 1 . . . . A 35 GLY N . 25979 1
200 . 1 1 17 17 THR H H 1 8.775 0.000 . 1 . . . . A 36 THR H . 25979 1
201 . 1 1 17 17 THR HA H 1 4.455 0.000 . 1 . . . . A 36 THR HA . 25979 1
202 . 1 1 17 17 THR HB H 1 4.637 0.000 . 1 . . . . A 36 THR HB . 25979 1
203 . 1 1 17 17 THR HG21 H 1 1.153 0.000 . 1 . . . . A 36 THR HG21 . 25979 1
204 . 1 1 17 17 THR HG22 H 1 1.153 0.000 . 1 . . . . A 36 THR HG22 . 25979 1
205 . 1 1 17 17 THR HG23 H 1 1.153 0.000 . 1 . . . . A 36 THR HG23 . 25979 1
206 . 1 1 17 17 THR C C 13 173.018 0.000 . 1 . . . . A 36 THR C . 25979 1
207 . 1 1 17 17 THR CA C 13 61.501 0.000 . 1 . . . . A 36 THR CA . 25979 1
208 . 1 1 17 17 THR CB C 13 69.035 0.000 . 1 . . . . A 36 THR CB . 25979 1
209 . 1 1 17 17 THR CG2 C 13 21.432 0.000 . 1 . . . . A 36 THR CG2 . 25979 1
210 . 1 1 17 17 THR N N 15 118.490 0.000 . 1 . . . . A 36 THR N . 25979 1
211 . 1 1 18 18 THR H H 1 8.047 0.000 . 1 . . . . A 37 THR H . 25979 1
212 . 1 1 18 18 THR HA H 1 4.446 0.005 . 1 . . . . A 37 THR HA . 25979 1
213 . 1 1 18 18 THR HB H 1 3.891 0.004 . 1 . . . . A 37 THR HB . 25979 1
214 . 1 1 18 18 THR HG21 H 1 0.923 0.007 . 1 . . . . A 37 THR HG21 . 25979 1
215 . 1 1 18 18 THR HG22 H 1 0.923 0.007 . 1 . . . . A 37 THR HG22 . 25979 1
216 . 1 1 18 18 THR HG23 H 1 0.923 0.007 . 1 . . . . A 37 THR HG23 . 25979 1
217 . 1 1 18 18 THR C C 13 173.594 0.000 . 1 . . . . A 37 THR C . 25979 1
218 . 1 1 18 18 THR CA C 13 62.697 0.000 . 1 . . . . A 37 THR CA . 25979 1
219 . 1 1 18 18 THR CB C 13 69.926 0.000 . 1 . . . . A 37 THR CB . 25979 1
220 . 1 1 18 18 THR CG2 C 13 21.649 0.000 . 1 . . . . A 37 THR CG2 . 25979 1
221 . 1 1 18 18 THR N N 15 119.896 0.000 . 1 . . . . A 37 THR N . 25979 1
222 . 1 1 19 19 VAL H H 1 8.908 0.000 . 1 . . . . A 38 VAL H . 25979 1
223 . 1 1 19 19 VAL HA H 1 4.228 0.000 . 1 . . . . A 38 VAL HA . 25979 1
224 . 1 1 19 19 VAL HB H 1 0.103 0.006 . 1 . . . . A 38 VAL HB . 25979 1
225 . 1 1 19 19 VAL HG11 H 1 -0.169 0.000 . 2 . . . . A 38 VAL HG11 . 25979 1
226 . 1 1 19 19 VAL HG12 H 1 -0.169 0.000 . 2 . . . . A 38 VAL HG12 . 25979 1
227 . 1 1 19 19 VAL HG13 H 1 -0.169 0.000 . 2 . . . . A 38 VAL HG13 . 25979 1
228 . 1 1 19 19 VAL HG21 H 1 -0.432 0.000 . 2 . . . . A 38 VAL HG21 . 25979 1
229 . 1 1 19 19 VAL HG22 H 1 -0.432 0.000 . 2 . . . . A 38 VAL HG22 . 25979 1
230 . 1 1 19 19 VAL HG23 H 1 -0.432 0.000 . 2 . . . . A 38 VAL HG23 . 25979 1
231 . 1 1 19 19 VAL C C 13 174.948 0.000 . 1 . . . . A 38 VAL C . 25979 1
232 . 1 1 19 19 VAL CA C 13 60.554 0.000 . 1 . . . . A 38 VAL CA . 25979 1
233 . 1 1 19 19 VAL CB C 13 30.182 0.000 . 1 . . . . A 38 VAL CB . 25979 1
234 . 1 1 19 19 VAL CG1 C 13 23.402 0.000 . 2 . . . . A 38 VAL CG1 . 25979 1
235 . 1 1 19 19 VAL CG2 C 13 22.257 0.000 . 2 . . . . A 38 VAL CG2 . 25979 1
236 . 1 1 19 19 VAL N N 15 132.082 0.000 . 1 . . . . A 38 VAL N . 25979 1
237 . 1 1 20 20 THR H H 1 8.483 0.000 . 1 . . . . A 39 THR H . 25979 1
238 . 1 1 20 20 THR HA H 1 4.556 0.000 . 1 . . . . A 39 THR HA . 25979 1
239 . 1 1 20 20 THR HB H 1 3.830 0.000 . 1 . . . . A 39 THR HB . 25979 1
240 . 1 1 20 20 THR HG21 H 1 1.174 0.000 . 1 . . . . A 39 THR HG21 . 25979 1
241 . 1 1 20 20 THR HG22 H 1 1.174 0.000 . 1 . . . . A 39 THR HG22 . 25979 1
242 . 1 1 20 20 THR HG23 H 1 1.174 0.000 . 1 . . . . A 39 THR HG23 . 25979 1
243 . 1 1 20 20 THR C C 13 173.522 0.000 . 1 . . . . A 39 THR C . 25979 1
244 . 1 1 20 20 THR CA C 13 58.641 0.000 . 1 . . . . A 39 THR CA . 25979 1
245 . 1 1 20 20 THR CB C 13 70.638 0.000 . 1 . . . . A 39 THR CB . 25979 1
246 . 1 1 20 20 THR CG2 C 13 20.751 0.000 . 1 . . . . A 39 THR CG2 . 25979 1
247 . 1 1 20 20 THR N N 15 119.761 0.000 . 1 . . . . A 39 THR N . 25979 1
248 . 1 1 21 21 PRO HA H 1 4.311 0.000 . 1 . . . . A 40 PRO HA . 25979 1
249 . 1 1 21 21 PRO HB2 H 1 1.416 0.000 . 2 . . . . A 40 PRO HB2 . 25979 1
250 . 1 1 21 21 PRO HB3 H 1 1.329 0.004 . 2 . . . . A 40 PRO HB3 . 25979 1
251 . 1 1 21 21 PRO HG2 H 1 2.247 0.000 . 2 . . . . A 40 PRO HG2 . 25979 1
252 . 1 1 21 21 PRO HG3 H 1 1.941 0.000 . 2 . . . . A 40 PRO HG3 . 25979 1
253 . 1 1 21 21 PRO HD2 H 1 3.822 0.000 . 2 . . . . A 40 PRO HD2 . 25979 1
254 . 1 1 21 21 PRO HD3 H 1 3.140 0.000 . 2 . . . . A 40 PRO HD3 . 25979 1
255 . 1 1 21 21 PRO C C 13 174.741 0.000 . 1 . . . . A 40 PRO C . 25979 1
256 . 1 1 21 21 PRO CA C 13 63.649 0.000 . 1 . . . . A 40 PRO CA . 25979 1
257 . 1 1 21 21 PRO CB C 13 31.755 0.000 . 1 . . . . A 40 PRO CB . 25979 1
258 . 1 1 21 21 PRO CG C 13 26.323 0.000 . 1 . . . . A 40 PRO CG . 25979 1
259 . 1 1 21 21 PRO CD C 13 50.741 0.000 . 1 . . . . A 40 PRO CD . 25979 1
260 . 1 1 22 22 ASP H H 1 8.727 0.000 . 1 . . . . A 41 ASP H . 25979 1
261 . 1 1 22 22 ASP HA H 1 4.855 0.000 . 1 . . . . A 41 ASP HA . 25979 1
262 . 1 1 22 22 ASP HB2 H 1 3.001 0.000 . 2 . . . . A 41 ASP HB2 . 25979 1
263 . 1 1 22 22 ASP HB3 H 1 2.330 0.000 . 2 . . . . A 41 ASP HB3 . 25979 1
264 . 1 1 22 22 ASP C C 13 177.425 0.000 . 1 . . . . A 41 ASP C . 25979 1
265 . 1 1 22 22 ASP CA C 13 53.110 0.000 . 1 . . . . A 41 ASP CA . 25979 1
266 . 1 1 22 22 ASP CB C 13 42.555 0.000 . 1 . . . . A 41 ASP CB . 25979 1
267 . 1 1 22 22 ASP N N 15 123.890 0.000 . 1 . . . . A 41 ASP N . 25979 1
268 . 1 1 23 23 LYS H H 1 8.888 0.000 . 1 . . . . A 42 LYS H . 25979 1
269 . 1 1 23 23 LYS HA H 1 4.472 0.003 . 1 . . . . A 42 LYS HA . 25979 1
270 . 1 1 23 23 LYS HB2 H 1 2.134 0.003 . 2 . . . . A 42 LYS HB2 . 25979 1
271 . 1 1 23 23 LYS HB3 H 1 1.923 0.009 . 2 . . . . A 42 LYS HB3 . 25979 1
272 . 1 1 23 23 LYS HG2 H 1 1.559 0.000 . 2 . . . . A 42 LYS HG2 . 25979 1
273 . 1 1 23 23 LYS HG3 H 1 1.380 0.003 . 2 . . . . A 42 LYS HG3 . 25979 1
274 . 1 1 23 23 LYS HD2 H 1 1.754 0.000 . 2 . . . . A 42 LYS HD2 . 25979 1
275 . 1 1 23 23 LYS HE2 H 1 3.005 0.000 . 2 . . . . A 42 LYS HE2 . 25979 1
276 . 1 1 23 23 LYS HE3 H 1 2.976 0.001 . 2 . . . . A 42 LYS HE3 . 25979 1
277 . 1 1 23 23 LYS C C 13 176.877 0.000 . 1 . . . . A 42 LYS C . 25979 1
278 . 1 1 23 23 LYS CA C 13 58.567 0.000 . 1 . . . . A 42 LYS CA . 25979 1
279 . 1 1 23 23 LYS CB C 13 32.696 0.000 . 1 . . . . A 42 LYS CB . 25979 1
280 . 1 1 23 23 LYS CG C 13 25.667 0.000 . 1 . . . . A 42 LYS CG . 25979 1
281 . 1 1 23 23 LYS CD C 13 29.275 0.000 . 1 . . . . A 42 LYS CD . 25979 1
282 . 1 1 23 23 LYS CE C 13 41.656 0.000 . 1 . . . . A 42 LYS CE . 25979 1
283 . 1 1 23 23 LYS N N 15 124.583 0.000 . 1 . . . . A 42 LYS N . 25979 1
284 . 1 1 24 24 ARG H H 1 8.375 0.000 . 1 . . . . A 43 ARG H . 25979 1
285 . 1 1 24 24 ARG HA H 1 4.292 0.005 . 1 . . . . A 43 ARG HA . 25979 1
286 . 1 1 24 24 ARG HB2 H 1 2.301 0.005 . 2 . . . . A 43 ARG HB2 . 25979 1
287 . 1 1 24 24 ARG HB3 H 1 1.973 0.012 . 2 . . . . A 43 ARG HB3 . 25979 1
288 . 1 1 24 24 ARG HG2 H 1 2.124 0.002 . 2 . . . . A 43 ARG HG2 . 25979 1
289 . 1 1 24 24 ARG HG3 H 1 2.078 0.002 . 2 . . . . A 43 ARG HG3 . 25979 1
290 . 1 1 24 24 ARG HD2 H 1 3.579 0.005 . 2 . . . . A 43 ARG HD2 . 25979 1
291 . 1 1 24 24 ARG HD3 H 1 3.482 0.009 . 2 . . . . A 43 ARG HD3 . 25979 1
292 . 1 1 24 24 ARG HE H 1 8.100 0.008 . 1 . . . . A 43 ARG HE . 25979 1
293 . 1 1 24 24 ARG C C 13 178.908 0.000 . 1 . . . . A 43 ARG C . 25979 1
294 . 1 1 24 24 ARG CA C 13 57.960 0.000 . 1 . . . . A 43 ARG CA . 25979 1
295 . 1 1 24 24 ARG CB C 13 30.910 0.000 . 1 . . . . A 43 ARG CB . 25979 1
296 . 1 1 24 24 ARG CG C 13 26.897 0.000 . 1 . . . . A 43 ARG CG . 25979 1
297 . 1 1 24 24 ARG CD C 13 43.707 0.000 . 1 . . . . A 43 ARG CD . 25979 1
298 . 1 1 24 24 ARG N N 15 118.256 0.000 . 1 . . . . A 43 ARG N . 25979 1
299 . 1 1 24 24 ARG NE N 15 83.062 0.000 . 1 . . . . A 43 ARG NE . 25979 1
300 . 1 1 25 25 LYS H H 1 8.712 0.000 . 1 . . . . A 44 LYS H . 25979 1
301 . 1 1 25 25 LYS HA H 1 4.315 0.000 . 1 . . . . A 44 LYS HA . 25979 1
302 . 1 1 25 25 LYS HB2 H 1 1.736 0.000 . 2 . . . . A 44 LYS HB2 . 25979 1
303 . 1 1 25 25 LYS HB3 H 1 1.414 0.000 . 2 . . . . A 44 LYS HB3 . 25979 1
304 . 1 1 25 25 LYS HG2 H 1 1.698 0.006 . 2 . . . . A 44 LYS HG2 . 25979 1
305 . 1 1 25 25 LYS HG3 H 1 1.516 0.003 . 2 . . . . A 44 LYS HG3 . 25979 1
306 . 1 1 25 25 LYS HD2 H 1 1.619 0.004 . 2 . . . . A 44 LYS HD2 . 25979 1
307 . 1 1 25 25 LYS HE2 H 1 2.990 0.003 . 2 . . . . A 44 LYS HE2 . 25979 1
308 . 1 1 25 25 LYS C C 13 176.964 0.000 . 1 . . . . A 44 LYS C . 25979 1
309 . 1 1 25 25 LYS CA C 13 56.473 0.000 . 1 . . . . A 44 LYS CA . 25979 1
310 . 1 1 25 25 LYS CB C 13 32.832 0.000 . 1 . . . . A 44 LYS CB . 25979 1
311 . 1 1 25 25 LYS CG C 13 25.257 0.000 . 1 . . . . A 44 LYS CG . 25979 1
312 . 1 1 25 25 LYS CD C 13 29.193 0.000 . 1 . . . . A 44 LYS CD . 25979 1
313 . 1 1 25 25 LYS CE C 13 41.840 0.000 . 1 . . . . A 44 LYS CE . 25979 1
314 . 1 1 25 25 LYS N N 15 122.708 0.000 . 1 . . . . A 44 LYS N . 25979 1
315 . 1 1 26 26 GLY H H 1 9.366 0.000 . 1 . . . . A 45 GLY H . 25979 1
316 . 1 1 26 26 GLY HA2 H 1 4.866 0.000 . 2 . . . . A 45 GLY HA2 . 25979 1
317 . 1 1 26 26 GLY HA3 H 1 4.165 0.000 . 2 . . . . A 45 GLY HA3 . 25979 1
318 . 1 1 26 26 GLY C C 13 174.357 0.000 . 1 . . . . A 45 GLY C . 25979 1
319 . 1 1 26 26 GLY CA C 13 45.482 0.000 . 1 . . . . A 45 GLY CA . 25979 1
320 . 1 1 26 26 GLY N N 15 113.100 0.000 . 1 . . . . A 45 GLY N . 25979 1
321 . 1 1 27 27 LEU H H 1 8.092 0.000 . 1 . . . . A 46 LEU H . 25979 1
322 . 1 1 27 27 LEU HA H 1 4.644 0.000 . 1 . . . . A 46 LEU HA . 25979 1
323 . 1 1 27 27 LEU HB2 H 1 1.431 0.000 . 2 . . . . A 46 LEU HB2 . 25979 1
324 . 1 1 27 27 LEU HB3 H 1 0.779 0.000 . 2 . . . . A 46 LEU HB3 . 25979 1
325 . 1 1 27 27 LEU HG H 1 1.128 0.000 . 1 . . . . A 46 LEU HG . 25979 1
326 . 1 1 27 27 LEU HD11 H 1 0.573 0.008 . 2 . . . . A 46 LEU HD11 . 25979 1
327 . 1 1 27 27 LEU HD12 H 1 0.573 0.008 . 2 . . . . A 46 LEU HD12 . 25979 1
328 . 1 1 27 27 LEU HD13 H 1 0.573 0.008 . 2 . . . . A 46 LEU HD13 . 25979 1
329 . 1 1 27 27 LEU HD21 H 1 0.616 0.010 . 2 . . . . A 46 LEU HD21 . 25979 1
330 . 1 1 27 27 LEU HD22 H 1 0.616 0.010 . 2 . . . . A 46 LEU HD22 . 25979 1
331 . 1 1 27 27 LEU HD23 H 1 0.616 0.010 . 2 . . . . A 46 LEU HD23 . 25979 1
332 . 1 1 27 27 LEU C C 13 174.255 0.000 . 1 . . . . A 46 LEU C . 25979 1
333 . 1 1 27 27 LEU CA C 13 54.362 0.000 . 1 . . . . A 46 LEU CA . 25979 1
334 . 1 1 27 27 LEU CB C 13 47.635 0.000 . 1 . . . . A 46 LEU CB . 25979 1
335 . 1 1 27 27 LEU CG C 13 26.323 0.000 . 1 . . . . A 46 LEU CG . 25979 1
336 . 1 1 27 27 LEU CD1 C 13 25.831 0.000 . 2 . . . . A 46 LEU CD1 . 25979 1
337 . 1 1 27 27 LEU CD2 C 13 24.191 0.000 . 2 . . . . A 46 LEU CD2 . 25979 1
338 . 1 1 27 27 LEU N N 15 125.754 0.000 . 1 . . . . A 46 LEU N . 25979 1
339 . 1 1 28 28 VAL H H 1 8.451 0.000 . 1 . . . . A 47 VAL H . 25979 1
340 . 1 1 28 28 VAL HA H 1 4.378 0.005 . 1 . . . . A 47 VAL HA . 25979 1
341 . 1 1 28 28 VAL HB H 1 0.068 0.000 . 1 . . . . A 47 VAL HB . 25979 1
342 . 1 1 28 28 VAL HG11 H 1 0.323 0.007 . 2 . . . . A 47 VAL HG11 . 25979 1
343 . 1 1 28 28 VAL HG12 H 1 0.323 0.007 . 2 . . . . A 47 VAL HG12 . 25979 1
344 . 1 1 28 28 VAL HG13 H 1 0.323 0.007 . 2 . . . . A 47 VAL HG13 . 25979 1
345 . 1 1 28 28 VAL HG21 H 1 -0.521 0.000 . 2 . . . . A 47 VAL HG21 . 25979 1
346 . 1 1 28 28 VAL HG22 H 1 -0.521 0.000 . 2 . . . . A 47 VAL HG22 . 25979 1
347 . 1 1 28 28 VAL HG23 H 1 -0.521 0.000 . 2 . . . . A 47 VAL HG23 . 25979 1
348 . 1 1 28 28 VAL C C 13 174.516 0.000 . 1 . . . . A 47 VAL C . 25979 1
349 . 1 1 28 28 VAL CA C 13 59.511 0.000 . 1 . . . . A 47 VAL CA . 25979 1
350 . 1 1 28 28 VAL CB C 13 31.914 0.000 . 1 . . . . A 47 VAL CB . 25979 1
351 . 1 1 28 28 VAL CG1 C 13 24.367 0.000 . 2 . . . . A 47 VAL CG1 . 25979 1
352 . 1 1 28 28 VAL CG2 C 13 21.735 0.000 . 2 . . . . A 47 VAL CG2 . 25979 1
353 . 1 1 28 28 VAL N N 15 126.223 0.000 . 1 . . . . A 47 VAL N . 25979 1
354 . 1 1 29 29 TYR H H 1 7.647 0.000 . 1 . . . . A 48 TYR H . 25979 1
355 . 1 1 29 29 TYR HA H 1 4.731 0.007 . 1 . . . . A 48 TYR HA . 25979 1
356 . 1 1 29 29 TYR HB2 H 1 2.351 0.008 . 2 . . . . A 48 TYR HB2 . 25979 1
357 . 1 1 29 29 TYR HB3 H 1 2.190 0.009 . 2 . . . . A 48 TYR HB3 . 25979 1
358 . 1 1 29 29 TYR HD2 H 1 5.820 0.000 . 3 . . . . A 48 TYR HD2 . 25979 1
359 . 1 1 29 29 TYR HE2 H 1 6.108 0.000 . 3 . . . . A 48 TYR HE2 . 25979 1
360 . 1 1 29 29 TYR C C 13 172.039 0.000 . 1 . . . . A 48 TYR C . 25979 1
361 . 1 1 29 29 TYR CA C 13 55.259 0.000 . 1 . . . . A 48 TYR CA . 25979 1
362 . 1 1 29 29 TYR CB C 13 40.283 0.000 . 1 . . . . A 48 TYR CB . 25979 1
363 . 1 1 29 29 TYR CD2 C 13 132.585 0.000 . 3 . . . . A 48 TYR CD2 . 25979 1
364 . 1 1 29 29 TYR CE2 C 13 116.957 0.000 . 3 . . . . A 48 TYR CE2 . 25979 1
365 . 1 1 29 29 TYR N N 15 118.490 0.000 . 1 . . . . A 48 TYR N . 25979 1
366 . 1 1 30 30 ILE H H 1 7.536 0.000 . 1 . . . . A 49 ILE H . 25979 1
367 . 1 1 30 30 ILE HA H 1 5.138 0.000 . 1 . . . . A 49 ILE HA . 25979 1
368 . 1 1 30 30 ILE HB H 1 1.407 0.000 . 1 . . . . A 49 ILE HB . 25979 1
369 . 1 1 30 30 ILE HG12 H 1 1.218 0.006 . 2 . . . . A 49 ILE HG12 . 25979 1
370 . 1 1 30 30 ILE HG13 H 1 0.958 0.005 . 2 . . . . A 49 ILE HG13 . 25979 1
371 . 1 1 30 30 ILE HG21 H 1 0.771 0.000 . 1 . . . . A 49 ILE HG21 . 25979 1
372 . 1 1 30 30 ILE HG22 H 1 0.771 0.000 . 1 . . . . A 49 ILE HG22 . 25979 1
373 . 1 1 30 30 ILE HG23 H 1 0.771 0.000 . 1 . . . . A 49 ILE HG23 . 25979 1
374 . 1 1 30 30 ILE HD11 H 1 0.805 0.007 . 1 . . . . A 49 ILE HD11 . 25979 1
375 . 1 1 30 30 ILE HD12 H 1 0.805 0.007 . 1 . . . . A 49 ILE HD12 . 25979 1
376 . 1 1 30 30 ILE HD13 H 1 0.805 0.007 . 1 . . . . A 49 ILE HD13 . 25979 1
377 . 1 1 30 30 ILE C C 13 174.746 0.000 . 1 . . . . A 49 ILE C . 25979 1
378 . 1 1 30 30 ILE CA C 13 58.116 0.000 . 1 . . . . A 49 ILE CA . 25979 1
379 . 1 1 30 30 ILE CB C 13 39.736 0.000 . 1 . . . . A 49 ILE CB . 25979 1
380 . 1 1 30 30 ILE CG1 C 13 28.127 0.000 . 1 . . . . A 49 ILE CG1 . 25979 1
381 . 1 1 30 30 ILE CG2 C 13 18.050 0.000 . 1 . . . . A 49 ILE CG2 . 25979 1
382 . 1 1 30 30 ILE CD1 C 13 14.915 0.000 . 1 . . . . A 49 ILE CD1 . 25979 1
383 . 1 1 30 30 ILE N N 15 116.146 0.000 . 1 . . . . A 49 ILE N . 25979 1
384 . 1 1 31 31 GLN H H 1 9.021 0.000 . 1 . . . . A 50 GLN H . 25979 1
385 . 1 1 31 31 GLN HA H 1 5.024 0.000 . 1 . . . . A 50 GLN HA . 25979 1
386 . 1 1 31 31 GLN HB2 H 1 2.314 0.000 . 2 . . . . A 50 GLN HB2 . 25979 1
387 . 1 1 31 31 GLN HB3 H 1 1.908 0.000 . 2 . . . . A 50 GLN HB3 . 25979 1
388 . 1 1 31 31 GLN HE21 H 1 6.742 0.003 . 2 . . . . A 50 GLN HE21 . 25979 1
389 . 1 1 31 31 GLN HE22 H 1 7.222 0.001 . 2 . . . . A 50 GLN HE22 . 25979 1
390 . 1 1 31 31 GLN C C 13 173.032 0.000 . 1 . . . . A 50 GLN C . 25979 1
391 . 1 1 31 31 GLN CA C 13 53.267 0.000 . 1 . . . . A 50 GLN CA . 25979 1
392 . 1 1 31 31 GLN CB C 13 33.478 0.000 . 1 . . . . A 50 GLN CB . 25979 1
393 . 1 1 31 31 GLN CG C 13 33.211 0.000 . 1 . . . . A 50 GLN CG . 25979 1
394 . 1 1 31 31 GLN N N 15 127.640 0.000 . 1 . . . . A 50 GLN N . 25979 1
395 . 1 1 31 31 GLN NE2 N 15 110.281 0.000 . 1 . . . . A 50 GLN NE2 . 25979 1
396 . 1 1 32 32 GLN H H 1 9.136 0.000 . 1 . . . . A 51 GLN H . 25979 1
397 . 1 1 32 32 GLN HA H 1 5.732 0.000 . 1 . . . . A 51 GLN HA . 25979 1
398 . 1 1 32 32 GLN HB2 H 1 2.192 0.000 . 2 . . . . A 51 GLN HB2 . 25979 1
399 . 1 1 32 32 GLN HB3 H 1 1.502 0.000 . 2 . . . . A 51 GLN HB3 . 25979 1
400 . 1 1 32 32 GLN HG2 H 1 2.347 0.007 . 2 . . . . A 51 GLN HG2 . 25979 1
401 . 1 1 32 32 GLN HG3 H 1 2.086 0.009 . 2 . . . . A 51 GLN HG3 . 25979 1
402 . 1 1 32 32 GLN HE21 H 1 7.082 0.003 . 2 . . . . A 51 GLN HE21 . 25979 1
403 . 1 1 32 32 GLN HE22 H 1 7.364 0.003 . 2 . . . . A 51 GLN HE22 . 25979 1
404 . 1 1 32 32 GLN C C 13 176.748 0.000 . 1 . . . . A 51 GLN C . 25979 1
405 . 1 1 32 32 GLN CA C 13 53.561 0.000 . 1 . . . . A 51 GLN CA . 25979 1
406 . 1 1 32 32 GLN CB C 13 30.633 0.000 . 1 . . . . A 51 GLN CB . 25979 1
407 . 1 1 32 32 GLN CG C 13 33.375 0.000 . 1 . . . . A 51 GLN CG . 25979 1
408 . 1 1 32 32 GLN N N 15 127.875 0.000 . 1 . . . . A 51 GLN N . 25979 1
409 . 1 1 32 32 GLN NE2 N 15 109.970 0.000 . 1 . . . . A 51 GLN NE2 . 25979 1
410 . 1 1 33 33 THR H H 1 9.051 0.000 . 1 . . . . A 52 THR H . 25979 1
411 . 1 1 33 33 THR HA H 1 4.427 0.000 . 1 . . . . A 52 THR HA . 25979 1
412 . 1 1 33 33 THR HB H 1 4.574 0.000 . 1 . . . . A 52 THR HB . 25979 1
413 . 1 1 33 33 THR HG21 H 1 0.813 0.000 . 1 . . . . A 52 THR HG21 . 25979 1
414 . 1 1 33 33 THR HG22 H 1 0.813 0.000 . 1 . . . . A 52 THR HG22 . 25979 1
415 . 1 1 33 33 THR HG23 H 1 0.813 0.000 . 1 . . . . A 52 THR HG23 . 25979 1
416 . 1 1 33 33 THR C C 13 177.108 0.000 . 1 . . . . A 52 THR C . 25979 1
417 . 1 1 33 33 THR CA C 13 61.557 0.000 . 1 . . . . A 52 THR CA . 25979 1
418 . 1 1 33 33 THR CB C 13 69.457 0.000 . 1 . . . . A 52 THR CB . 25979 1
419 . 1 1 33 33 THR CG2 C 13 23.371 0.000 . 1 . . . . A 52 THR CG2 . 25979 1
420 . 1 1 33 33 THR N N 15 118.483 0.000 . 1 . . . . A 52 THR N . 25979 1
421 . 1 1 34 34 ASP H H 1 8.806 0.000 . 1 . . . . A 53 ASP H . 25979 1
422 . 1 1 34 34 ASP HA H 1 4.325 0.006 . 1 . . . . A 53 ASP HA . 25979 1
423 . 1 1 34 34 ASP HB2 H 1 2.698 0.000 . 2 . . . . A 53 ASP HB2 . 25979 1
424 . 1 1 34 34 ASP C C 13 175.754 0.000 . 1 . . . . A 53 ASP C . 25979 1
425 . 1 1 34 34 ASP CA C 13 57.334 0.000 . 1 . . . . A 53 ASP CA . 25979 1
426 . 1 1 34 34 ASP CB C 13 39.397 0.000 . 1 . . . . A 53 ASP CB . 25979 1
427 . 1 1 34 34 ASP N N 15 120.599 0.000 . 1 . . . . A 53 ASP N . 25979 1
428 . 1 1 35 35 ASP H H 1 7.878 0.000 . 1 . . . . A 54 ASP H . 25979 1
429 . 1 1 35 35 ASP HA H 1 4.486 0.007 . 1 . . . . A 54 ASP HA . 25979 1
430 . 1 1 35 35 ASP HB2 H 1 3.072 0.000 . 2 . . . . A 54 ASP HB2 . 25979 1
431 . 1 1 35 35 ASP HB3 H 1 2.651 0.000 . 2 . . . . A 54 ASP HB3 . 25979 1
432 . 1 1 35 35 ASP C C 13 176.402 0.000 . 1 . . . . A 54 ASP C . 25979 1
433 . 1 1 35 35 ASP CA C 13 53.580 0.000 . 1 . . . . A 54 ASP CA . 25979 1
434 . 1 1 35 35 ASP CB C 13 39.899 0.000 . 1 . . . . A 54 ASP CB . 25979 1
435 . 1 1 35 35 ASP N N 15 118.256 0.000 . 1 . . . . A 54 ASP N . 25979 1
436 . 1 1 36 36 SER H H 1 8.467 0.000 . 1 . . . . A 55 SER H . 25979 1
437 . 1 1 36 36 SER HA H 1 4.004 0.000 . 1 . . . . A 55 SER HA . 25979 1
438 . 1 1 36 36 SER HB2 H 1 4.320 0.006 . 2 . . . . A 55 SER HB2 . 25979 1
439 . 1 1 36 36 SER HB3 H 1 4.040 0.006 . 2 . . . . A 55 SER HB3 . 25979 1
440 . 1 1 36 36 SER C C 13 173.680 0.000 . 1 . . . . A 55 SER C . 25979 1
441 . 1 1 36 36 SER CA C 13 61.545 0.000 . 1 . . . . A 55 SER CA . 25979 1
442 . 1 1 36 36 SER CB C 13 62.875 0.000 . 1 . . . . A 55 SER CB . 25979 1
443 . 1 1 36 36 SER N N 15 112.163 0.000 . 1 . . . . A 55 SER N . 25979 1
444 . 1 1 37 37 LEU H H 1 7.948 0.000 . 1 . . . . A 56 LEU H . 25979 1
445 . 1 1 37 37 LEU HA H 1 4.164 0.008 . 1 . . . . A 56 LEU HA . 25979 1
446 . 1 1 37 37 LEU HB2 H 1 1.815 0.006 . 2 . . . . A 56 LEU HB2 . 25979 1
447 . 1 1 37 37 LEU HB3 H 1 0.984 0.013 . 2 . . . . A 56 LEU HB3 . 25979 1
448 . 1 1 37 37 LEU HG H 1 1.410 0.000 . 1 . . . . A 56 LEU HG . 25979 1
449 . 1 1 37 37 LEU HD11 H 1 0.891 0.009 . 2 . . . . A 56 LEU HD11 . 25979 1
450 . 1 1 37 37 LEU HD12 H 1 0.891 0.009 . 2 . . . . A 56 LEU HD12 . 25979 1
451 . 1 1 37 37 LEU HD13 H 1 0.891 0.009 . 2 . . . . A 56 LEU HD13 . 25979 1
452 . 1 1 37 37 LEU HD21 H 1 0.863 0.002 . 2 . . . . A 56 LEU HD21 . 25979 1
453 . 1 1 37 37 LEU HD22 H 1 0.863 0.002 . 2 . . . . A 56 LEU HD22 . 25979 1
454 . 1 1 37 37 LEU HD23 H 1 0.863 0.002 . 2 . . . . A 56 LEU HD23 . 25979 1
455 . 1 1 37 37 LEU C C 13 174.818 0.000 . 1 . . . . A 56 LEU C . 25979 1
456 . 1 1 37 37 LEU CA C 13 55.378 0.000 . 1 . . . . A 56 LEU CA . 25979 1
457 . 1 1 37 37 LEU CB C 13 40.987 0.000 . 1 . . . . A 56 LEU CB . 25979 1
458 . 1 1 37 37 LEU CG C 13 27.143 0.000 . 1 . . . . A 56 LEU CG . 25979 1
459 . 1 1 37 37 LEU CD1 C 13 25.257 0.000 . 2 . . . . A 56 LEU CD1 . 25979 1
460 . 1 1 37 37 LEU CD2 C 13 22.305 0.000 . 2 . . . . A 56 LEU CD2 . 25979 1
461 . 1 1 37 37 LEU N N 15 123.656 0.000 . 1 . . . . A 56 LEU N . 25979 1
462 . 1 1 38 38 ILE H H 1 8.346 0.000 . 1 . . . . A 57 ILE H . 25979 1
463 . 1 1 38 38 ILE HA H 1 4.541 0.011 . 1 . . . . A 57 ILE HA . 25979 1
464 . 1 1 38 38 ILE HB H 1 2.207 0.007 . 1 . . . . A 57 ILE HB . 25979 1
465 . 1 1 38 38 ILE HG12 H 1 1.722 0.005 . 2 . . . . A 57 ILE HG12 . 25979 1
466 . 1 1 38 38 ILE HG13 H 1 1.581 0.006 . 2 . . . . A 57 ILE HG13 . 25979 1
467 . 1 1 38 38 ILE HG21 H 1 0.694 0.000 . 1 . . . . A 57 ILE HG21 . 25979 1
468 . 1 1 38 38 ILE HG22 H 1 0.694 0.000 . 1 . . . . A 57 ILE HG22 . 25979 1
469 . 1 1 38 38 ILE HG23 H 1 0.694 0.000 . 1 . . . . A 57 ILE HG23 . 25979 1
470 . 1 1 38 38 ILE HD11 H 1 0.654 0.000 . 1 . . . . A 57 ILE HD11 . 25979 1
471 . 1 1 38 38 ILE HD12 H 1 0.654 0.000 . 1 . . . . A 57 ILE HD12 . 25979 1
472 . 1 1 38 38 ILE HD13 H 1 0.654 0.000 . 1 . . . . A 57 ILE HD13 . 25979 1
473 . 1 1 38 38 ILE C C 13 174.329 0.000 . 1 . . . . A 57 ILE C . 25979 1
474 . 1 1 38 38 ILE CA C 13 57.870 0.000 . 1 . . . . A 57 ILE CA . 25979 1
475 . 1 1 38 38 ILE CB C 13 36.189 0.000 . 1 . . . . A 57 ILE CB . 25979 1
476 . 1 1 38 38 ILE CG1 C 13 25.585 0.000 . 1 . . . . A 57 ILE CG1 . 25979 1
477 . 1 1 38 38 ILE CG2 C 13 17.386 0.000 . 1 . . . . A 57 ILE CG2 . 25979 1
478 . 1 1 38 38 ILE CD1 C 13 9.696 0.000 . 1 . . . . A 57 ILE CD1 . 25979 1
479 . 1 1 38 38 ILE N N 15 121.536 0.000 . 1 . . . . A 57 ILE N . 25979 1
480 . 1 1 39 39 HIS H H 1 8.948 0.000 . 1 . . . . A 58 HIS H . 25979 1
481 . 1 1 39 39 HIS HA H 1 5.262 0.000 . 1 . . . . A 58 HIS HA . 25979 1
482 . 1 1 39 39 HIS HB2 H 1 2.874 0.004 . 2 . . . . A 58 HIS HB2 . 25979 1
483 . 1 1 39 39 HIS HB3 H 1 2.905 0.001 . 2 . . . . A 58 HIS HB3 . 25979 1
484 . 1 1 39 39 HIS HD2 H 1 7.186 0.002 . 1 . . . . A 58 HIS HD2 . 25979 1
485 . 1 1 39 39 HIS HE1 H 1 8.345 0.003 . 1 . . . . A 58 HIS HE1 . 25979 1
486 . 1 1 39 39 HIS C C 13 173.565 0.000 . 1 . . . . A 58 HIS C . 25979 1
487 . 1 1 39 39 HIS CA C 13 52.794 0.000 . 1 . . . . A 58 HIS CA . 25979 1
488 . 1 1 39 39 HIS CB C 13 29.904 0.000 . 1 . . . . A 58 HIS CB . 25979 1
489 . 1 1 39 39 HIS CD2 C 13 119.360 0.000 . 1 . . . . A 58 HIS CD2 . 25979 1
490 . 1 1 39 39 HIS CE1 C 13 133.887 0.000 . 1 . . . . A 58 HIS CE1 . 25979 1
491 . 1 1 39 39 HIS N N 15 123.421 0.000 . 1 . . . . A 58 HIS N . 25979 1
492 . 1 1 40 40 PHE H H 1 9.652 0.000 . 1 . . . . A 59 PHE H . 25979 1
493 . 1 1 40 40 PHE HA H 1 4.517 0.000 . 1 . . . . A 59 PHE HA . 25979 1
494 . 1 1 40 40 PHE HB2 H 1 3.194 0.010 . 2 . . . . A 59 PHE HB2 . 25979 1
495 . 1 1 40 40 PHE HB3 H 1 2.395 0.006 . 2 . . . . A 59 PHE HB3 . 25979 1
496 . 1 1 40 40 PHE HD1 H 1 6.757 0.004 . 3 . . . . A 59 PHE HD1 . 25979 1
497 . 1 1 40 40 PHE HE1 H 1 6.559 0.080 . 3 . . . . A 59 PHE HE1 . 25979 1
498 . 1 1 40 40 PHE HZ H 1 6.182 0.006 . 1 . . . . A 59 PHE HZ . 25979 1
499 . 1 1 40 40 PHE C C 13 174.473 0.000 . 1 . . . . A 59 PHE C . 25979 1
500 . 1 1 40 40 PHE CA C 13 57.412 0.000 . 1 . . . . A 59 PHE CA . 25979 1
501 . 1 1 40 40 PHE CB C 13 41.847 0.000 . 1 . . . . A 59 PHE CB . 25979 1
502 . 1 1 40 40 PHE CD1 C 13 130.948 0.000 . 3 . . . . A 59 PHE CD1 . 25979 1
503 . 1 1 40 40 PHE CE1 C 13 130.126 0.000 . 3 . . . . A 59 PHE CE1 . 25979 1
504 . 1 1 40 40 PHE CZ C 13 129.472 0.000 . 1 . . . . A 59 PHE CZ . 25979 1
505 . 1 1 40 40 PHE N N 15 127.160 0.000 . 1 . . . . A 59 PHE N . 25979 1
506 . 1 1 41 41 CYS H H 1 8.141 0.000 . 1 . . . . A 60 CYS H . 25979 1
507 . 1 1 41 41 CYS HA H 1 5.201 0.000 . 1 . . . . A 60 CYS HA . 25979 1
508 . 1 1 41 41 CYS HB2 H 1 2.070 0.000 . 2 . . . . A 60 CYS HB2 . 25979 1
509 . 1 1 41 41 CYS HB3 H 1 0.412 0.000 . 2 . . . . A 60 CYS HB3 . 25979 1
510 . 1 1 41 41 CYS C C 13 172.212 0.000 . 1 . . . . A 60 CYS C . 25979 1
511 . 1 1 41 41 CYS CA C 13 55.413 0.000 . 1 . . . . A 60 CYS CA . 25979 1
512 . 1 1 41 41 CYS CB C 13 31.523 0.000 . 1 . . . . A 60 CYS CB . 25979 1
513 . 1 1 41 41 CYS N N 15 125.051 0.000 . 1 . . . . A 60 CYS N . 25979 1
514 . 1 1 42 42 TRP H H 1 8.267 0.000 . 1 . . . . A 61 TRP H . 25979 1
515 . 1 1 42 42 TRP HA H 1 5.213 0.000 . 1 . . . . A 61 TRP HA . 25979 1
516 . 1 1 42 42 TRP HB2 H 1 3.912 0.006 . 2 . . . . A 61 TRP HB2 . 25979 1
517 . 1 1 42 42 TRP HB3 H 1 2.754 0.008 . 2 . . . . A 61 TRP HB3 . 25979 1
518 . 1 1 42 42 TRP HD1 H 1 6.975 0.001 . 1 . . . . A 61 TRP HD1 . 25979 1
519 . 1 1 42 42 TRP HE1 H 1 10.164 0.000 . 1 . . . . A 61 TRP HE1 . 25979 1
520 . 1 1 42 42 TRP HE3 H 1 7.558 0.002 . 1 . . . . A 61 TRP HE3 . 25979 1
521 . 1 1 42 42 TRP HZ2 H 1 7.238 0.007 . 1 . . . . A 61 TRP HZ2 . 25979 1
522 . 1 1 42 42 TRP HZ3 H 1 6.870 0.002 . 1 . . . . A 61 TRP HZ3 . 25979 1
523 . 1 1 42 42 TRP HH2 H 1 6.784 0.002 . 1 . . . . A 61 TRP HH2 . 25979 1
524 . 1 1 42 42 TRP C C 13 174.833 0.000 . 1 . . . . A 61 TRP C . 25979 1
525 . 1 1 42 42 TRP CA C 13 57.537 0.000 . 1 . . . . A 61 TRP CA . 25979 1
526 . 1 1 42 42 TRP CB C 13 32.116 0.000 . 1 . . . . A 61 TRP CB . 25979 1
527 . 1 1 42 42 TRP CD1 C 13 126.903 0.000 . 1 . . . . A 61 TRP CD1 . 25979 1
528 . 1 1 42 42 TRP CE3 C 13 120.582 0.000 . 1 . . . . A 61 TRP CE3 . 25979 1
529 . 1 1 42 42 TRP CZ2 C 13 114.733 0.000 . 1 . . . . A 61 TRP CZ2 . 25979 1
530 . 1 1 42 42 TRP CZ3 C 13 121.102 0.000 . 1 . . . . A 61 TRP CZ3 . 25979 1
531 . 1 1 42 42 TRP CH2 C 13 122.381 0.000 . 1 . . . . A 61 TRP CH2 . 25979 1
532 . 1 1 42 42 TRP N N 15 118.302 0.000 . 1 . . . . A 61 TRP N . 25979 1
533 . 1 1 42 42 TRP NE1 N 15 127.136 0.000 . 1 . . . . A 61 TRP NE1 . 25979 1
534 . 1 1 43 43 LYS H H 1 8.386 0.000 . 1 . . . . A 62 LYS H . 25979 1
535 . 1 1 43 43 LYS HA H 1 4.810 0.000 . 1 . . . . A 62 LYS HA . 25979 1
536 . 1 1 43 43 LYS HB2 H 1 1.414 0.000 . 2 . . . . A 62 LYS HB2 . 25979 1
537 . 1 1 43 43 LYS HG2 H 1 0.833 0.002 . 2 . . . . A 62 LYS HG2 . 25979 1
538 . 1 1 43 43 LYS HG3 H 1 0.782 0.003 . 2 . . . . A 62 LYS HG3 . 25979 1
539 . 1 1 43 43 LYS HD2 H 1 1.354 0.002 . 2 . . . . A 62 LYS HD2 . 25979 1
540 . 1 1 43 43 LYS HE2 H 1 2.576 0.003 . 2 . . . . A 62 LYS HE2 . 25979 1
541 . 1 1 43 43 LYS HE3 H 1 2.545 0.004 . 2 . . . . A 62 LYS HE3 . 25979 1
542 . 1 1 43 43 LYS C C 13 171.808 0.000 . 1 . . . . A 62 LYS C . 25979 1
543 . 1 1 43 43 LYS CA C 13 52.455 0.000 . 1 . . . . A 62 LYS CA . 25979 1
544 . 1 1 43 43 LYS CB C 13 37.816 0.000 . 1 . . . . A 62 LYS CB . 25979 1
545 . 1 1 43 43 LYS CG C 13 23.945 0.000 . 1 . . . . A 62 LYS CG . 25979 1
546 . 1 1 43 43 LYS CD C 13 29.275 0.000 . 1 . . . . A 62 LYS CD . 25979 1
547 . 1 1 43 43 LYS CE C 13 41.496 0.000 . 1 . . . . A 62 LYS CE . 25979 1
548 . 1 1 43 43 LYS N N 15 126.926 0.000 . 1 . . . . A 62 LYS N . 25979 1
549 . 1 1 44 44 ASP H H 1 7.735 0.000 . 1 . . . . A 63 ASP H . 25979 1
550 . 1 1 44 44 ASP HA H 1 4.000 0.004 . 1 . . . . A 63 ASP HA . 25979 1
551 . 1 1 44 44 ASP HB2 H 1 3.077 0.000 . 2 . . . . A 63 ASP HB2 . 25979 1
552 . 1 1 44 44 ASP HB3 H 1 2.533 0.000 . 2 . . . . A 63 ASP HB3 . 25979 1
553 . 1 1 44 44 ASP C C 13 177.597 0.000 . 1 . . . . A 63 ASP C . 25979 1
554 . 1 1 44 44 ASP CA C 13 52.956 0.000 . 1 . . . . A 63 ASP CA . 25979 1
555 . 1 1 44 44 ASP CB C 13 42.238 0.000 . 1 . . . . A 63 ASP CB . 25979 1
556 . 1 1 44 44 ASP N N 15 123.411 0.000 . 1 . . . . A 63 ASP N . 25979 1
557 . 1 1 45 45 ARG H H 1 8.637 0.000 . 1 . . . . A 64 ARG H . 25979 1
558 . 1 1 45 45 ARG HA H 1 3.787 0.005 . 1 . . . . A 64 ARG HA . 25979 1
559 . 1 1 45 45 ARG HB2 H 1 1.688 0.008 . 2 . . . . A 64 ARG HB2 . 25979 1
560 . 1 1 45 45 ARG HB3 H 1 1.401 0.009 . 2 . . . . A 64 ARG HB3 . 25979 1
561 . 1 1 45 45 ARG HG2 H 1 1.496 0.000 . 2 . . . . A 64 ARG HG2 . 25979 1
562 . 1 1 45 45 ARG HG3 H 1 1.045 0.000 . 2 . . . . A 64 ARG HG3 . 25979 1
563 . 1 1 45 45 ARG HD2 H 1 3.141 0.069 . 2 . . . . A 64 ARG HD2 . 25979 1
564 . 1 1 45 45 ARG HD3 H 1 3.023 0.095 . 2 . . . . A 64 ARG HD3 . 25979 1
565 . 1 1 45 45 ARG C C 13 177.525 0.000 . 1 . . . . A 64 ARG C . 25979 1
566 . 1 1 45 45 ARG CA C 13 59.055 0.000 . 1 . . . . A 64 ARG CA . 25979 1
567 . 1 1 45 45 ARG CB C 13 31.445 0.000 . 1 . . . . A 64 ARG CB . 25979 1
568 . 1 1 45 45 ARG CG C 13 30.177 0.000 . 1 . . . . A 64 ARG CG . 25979 1
569 . 1 1 45 45 ARG CD C 13 43.943 0.000 . 1 . . . . A 64 ARG CD . 25979 1
570 . 1 1 45 45 ARG N N 15 125.520 0.000 . 1 . . . . A 64 ARG N . 25979 1
571 . 1 1 46 46 THR H H 1 8.963 0.000 . 1 . . . . A 65 THR H . 25979 1
572 . 1 1 46 46 THR HA H 1 4.111 0.000 . 1 . . . . A 65 THR HA . 25979 1
573 . 1 1 46 46 THR HB H 1 4.361 0.000 . 1 . . . . A 65 THR HB . 25979 1
574 . 1 1 46 46 THR HG21 H 1 1.259 0.000 . 1 . . . . A 65 THR HG21 . 25979 1
575 . 1 1 46 46 THR HG22 H 1 1.259 0.000 . 1 . . . . A 65 THR HG22 . 25979 1
576 . 1 1 46 46 THR HG23 H 1 1.259 0.000 . 1 . . . . A 65 THR HG23 . 25979 1
577 . 1 1 46 46 THR C C 13 175.394 0.000 . 1 . . . . A 65 THR C . 25979 1
578 . 1 1 46 46 THR CA C 13 65.390 0.000 . 1 . . . . A 65 THR CA . 25979 1
579 . 1 1 46 46 THR CB C 13 67.971 0.000 . 1 . . . . A 65 THR CB . 25979 1
580 . 1 1 46 46 THR CG2 C 13 21.321 0.000 . 1 . . . . A 65 THR CG2 . 25979 1
581 . 1 1 46 46 THR N N 15 116.615 0.000 . 1 . . . . A 65 THR N . 25979 1
582 . 1 1 47 47 SER H H 1 7.955 0.000 . 1 . . . . A 66 SER H . 25979 1
583 . 1 1 47 47 SER HA H 1 4.401 0.000 . 1 . . . . A 66 SER HA . 25979 1
584 . 1 1 47 47 SER HB2 H 1 3.813 0.003 . 2 . . . . A 66 SER HB2 . 25979 1
585 . 1 1 47 47 SER HB3 H 1 3.970 0.004 . 2 . . . . A 66 SER HB3 . 25979 1
586 . 1 1 47 47 SER C C 13 175.783 0.000 . 1 . . . . A 66 SER C . 25979 1
587 . 1 1 47 47 SER CA C 13 58.507 0.000 . 1 . . . . A 66 SER CA . 25979 1
588 . 1 1 47 47 SER CB C 13 64.921 0.000 . 1 . . . . A 66 SER CB . 25979 1
589 . 1 1 47 47 SER N N 15 115.209 0.000 . 1 . . . . A 66 SER N . 25979 1
590 . 1 1 48 48 GLY H H 1 8.070 0.000 . 1 . . . . A 67 GLY H . 25979 1
591 . 1 1 48 48 GLY HA2 H 1 4.156 0.004 . 2 . . . . A 67 GLY HA2 . 25979 1
592 . 1 1 48 48 GLY HA3 H 1 3.525 0.010 . 2 . . . . A 67 GLY HA3 . 25979 1
593 . 1 1 48 48 GLY C C 13 173.536 0.000 . 1 . . . . A 67 GLY C . 25979 1
594 . 1 1 48 48 GLY CA C 13 45.525 0.000 . 1 . . . . A 67 GLY CA . 25979 1
595 . 1 1 48 48 GLY N N 15 111.766 0.000 . 1 . . . . A 67 GLY N . 25979 1
596 . 1 1 49 49 ASN H H 1 7.913 0.000 . 1 . . . . A 68 ASN H . 25979 1
597 . 1 1 49 49 ASN HA H 1 4.570 0.000 . 1 . . . . A 68 ASN HA . 25979 1
598 . 1 1 49 49 ASN HB2 H 1 2.698 0.000 . 2 . . . . A 68 ASN HB2 . 25979 1
599 . 1 1 49 49 ASN HD21 H 1 7.010 0.004 . 2 . . . . A 68 ASN HD21 . 25979 1
600 . 1 1 49 49 ASN HD22 H 1 7.608 0.011 . 2 . . . . A 68 ASN HD22 . 25979 1
601 . 1 1 49 49 ASN C C 13 174.905 0.000 . 1 . . . . A 68 ASN C . 25979 1
602 . 1 1 49 49 ASN CA C 13 53.814 0.000 . 1 . . . . A 68 ASN CA . 25979 1
603 . 1 1 49 49 ASN CB C 13 38.941 0.000 . 1 . . . . A 68 ASN CB . 25979 1
604 . 1 1 49 49 ASN N N 15 118.234 0.000 . 1 . . . . A 68 ASN N . 25979 1
605 . 1 1 49 49 ASN ND2 N 15 112.108 0.000 . 1 . . . . A 68 ASN ND2 . 25979 1
606 . 1 1 50 50 VAL H H 1 8.786 0.000 . 1 . . . . A 69 VAL H . 25979 1
607 . 1 1 50 50 VAL HA H 1 4.016 0.000 . 1 . . . . A 69 VAL HA . 25979 1
608 . 1 1 50 50 VAL HB H 1 2.091 0.000 . 1 . . . . A 69 VAL HB . 25979 1
609 . 1 1 50 50 VAL HG11 H 1 1.033 0.000 . 2 . . . . A 69 VAL HG11 . 25979 1
610 . 1 1 50 50 VAL HG12 H 1 1.033 0.000 . 2 . . . . A 69 VAL HG12 . 25979 1
611 . 1 1 50 50 VAL HG13 H 1 1.033 0.000 . 2 . . . . A 69 VAL HG13 . 25979 1
612 . 1 1 50 50 VAL HG21 H 1 0.888 0.000 . 2 . . . . A 69 VAL HG21 . 25979 1
613 . 1 1 50 50 VAL HG22 H 1 0.888 0.000 . 2 . . . . A 69 VAL HG22 . 25979 1
614 . 1 1 50 50 VAL HG23 H 1 0.888 0.000 . 2 . . . . A 69 VAL HG23 . 25979 1
615 . 1 1 50 50 VAL C C 13 175.481 0.000 . 1 . . . . A 69 VAL C . 25979 1
616 . 1 1 50 50 VAL CA C 13 63.356 0.000 . 1 . . . . A 69 VAL CA . 25979 1
617 . 1 1 50 50 VAL CB C 13 30.792 0.000 . 1 . . . . A 69 VAL CB . 25979 1
618 . 1 1 50 50 VAL CG1 C 13 21.649 0.000 . 2 . . . . A 69 VAL CG1 . 25979 1
619 . 1 1 50 50 VAL CG2 C 13 21.239 0.000 . 2 . . . . A 69 VAL CG2 . 25979 1
620 . 1 1 50 50 VAL N N 15 126.692 0.000 . 1 . . . . A 69 VAL N . 25979 1
621 . 1 1 51 51 GLU H H 1 8.202 0.000 . 1 . . . . A 70 GLU H . 25979 1
622 . 1 1 51 51 GLU HA H 1 4.457 0.000 . 1 . . . . A 70 GLU HA . 25979 1
623 . 1 1 51 51 GLU HB2 H 1 2.452 0.000 . 2 . . . . A 70 GLU HB2 . 25979 1
624 . 1 1 51 51 GLU HB3 H 1 2.318 0.000 . 2 . . . . A 70 GLU HB3 . 25979 1
625 . 1 1 51 51 GLU HG2 H 1 2.498 0.000 . 2 . . . . A 70 GLU HG2 . 25979 1
626 . 1 1 51 51 GLU HG3 H 1 2.335 0.000 . 2 . . . . A 70 GLU HG3 . 25979 1
627 . 1 1 51 51 GLU C C 13 175.178 0.000 . 1 . . . . A 70 GLU C . 25979 1
628 . 1 1 51 51 GLU CA C 13 57.952 0.000 . 1 . . . . A 70 GLU CA . 25979 1
629 . 1 1 51 51 GLU CB C 13 32.696 0.000 . 1 . . . . A 70 GLU CB . 25979 1
630 . 1 1 51 51 GLU CG C 13 37.786 0.000 . 1 . . . . A 70 GLU CG . 25979 1
631 . 1 1 51 51 GLU N N 15 129.504 0.000 . 1 . . . . A 70 GLU N . 25979 1
632 . 1 1 52 52 ASP H H 1 8.030 0.000 . 1 . . . . A 71 ASP H . 25979 1
633 . 1 1 52 52 ASP HA H 1 5.112 0.000 . 1 . . . . A 71 ASP HA . 25979 1
634 . 1 1 52 52 ASP HB2 H 1 2.739 0.000 . 2 . . . . A 71 ASP HB2 . 25979 1
635 . 1 1 52 52 ASP HB3 H 1 2.492 0.000 . 2 . . . . A 71 ASP HB3 . 25979 1
636 . 1 1 52 52 ASP C C 13 173.608 0.000 . 1 . . . . A 71 ASP C . 25979 1
637 . 1 1 52 52 ASP CA C 13 53.312 0.000 . 1 . . . . A 71 ASP CA . 25979 1
638 . 1 1 52 52 ASP CB C 13 43.887 0.000 . 1 . . . . A 71 ASP CB . 25979 1
639 . 1 1 52 52 ASP N N 15 116.849 0.000 . 1 . . . . A 71 ASP N . 25979 1
640 . 1 1 53 53 ASP H H 1 8.442 0.000 . 1 . . . . A 72 ASP H . 25979 1
641 . 1 1 53 53 ASP HA H 1 4.985 0.000 . 1 . . . . A 72 ASP HA . 25979 1
642 . 1 1 53 53 ASP HB2 H 1 2.732 0.000 . 2 . . . . A 72 ASP HB2 . 25979 1
643 . 1 1 53 53 ASP HB3 H 1 2.425 0.000 . 2 . . . . A 72 ASP HB3 . 25979 1
644 . 1 1 53 53 ASP C C 13 174.789 0.000 . 1 . . . . A 72 ASP C . 25979 1
645 . 1 1 53 53 ASP CA C 13 54.015 0.000 . 1 . . . . A 72 ASP CA . 25979 1
646 . 1 1 53 53 ASP CB C 13 41.030 0.000 . 1 . . . . A 72 ASP CB . 25979 1
647 . 1 1 53 53 ASP N N 15 121.302 0.000 . 1 . . . . A 72 ASP N . 25979 1
648 . 1 1 54 54 LEU H H 1 9.150 0.000 . 1 . . . . A 73 LEU H . 25979 1
649 . 1 1 54 54 LEU HA H 1 4.730 0.005 . 1 . . . . A 73 LEU HA . 25979 1
650 . 1 1 54 54 LEU HB2 H 1 2.003 0.005 . 2 . . . . A 73 LEU HB2 . 25979 1
651 . 1 1 54 54 LEU HB3 H 1 1.548 0.003 . 2 . . . . A 73 LEU HB3 . 25979 1
652 . 1 1 54 54 LEU HG H 1 1.838 0.000 . 1 . . . . A 73 LEU HG . 25979 1
653 . 1 1 54 54 LEU HD11 H 1 0.976 0.003 . 2 . . . . A 73 LEU HD11 . 25979 1
654 . 1 1 54 54 LEU HD12 H 1 0.976 0.003 . 2 . . . . A 73 LEU HD12 . 25979 1
655 . 1 1 54 54 LEU HD13 H 1 0.976 0.003 . 2 . . . . A 73 LEU HD13 . 25979 1
656 . 1 1 54 54 LEU HD21 H 1 1.007 0.008 . 2 . . . . A 73 LEU HD21 . 25979 1
657 . 1 1 54 54 LEU HD22 H 1 1.007 0.008 . 2 . . . . A 73 LEU HD22 . 25979 1
658 . 1 1 54 54 LEU HD23 H 1 1.007 0.008 . 2 . . . . A 73 LEU HD23 . 25979 1
659 . 1 1 54 54 LEU C C 13 175.653 0.000 . 1 . . . . A 73 LEU C . 25979 1
660 . 1 1 54 54 LEU CA C 13 53.736 0.000 . 1 . . . . A 73 LEU CA . 25979 1
661 . 1 1 54 54 LEU CB C 13 44.272 0.000 . 1 . . . . A 73 LEU CB . 25979 1
662 . 1 1 54 54 LEU CG C 13 27.713 0.000 . 1 . . . . A 73 LEU CG . 25979 1
663 . 1 1 54 54 LEU CD1 C 13 24.601 0.000 . 2 . . . . A 73 LEU CD1 . 25979 1
664 . 1 1 54 54 LEU CD2 C 13 26.241 0.000 . 2 . . . . A 73 LEU CD2 . 25979 1
665 . 1 1 54 54 LEU N N 15 126.565 0.000 . 1 . . . . A 73 LEU N . 25979 1
666 . 1 1 55 55 ILE H H 1 8.267 0.000 . 1 . . . . A 74 ILE H . 25979 1
667 . 1 1 55 55 ILE HA H 1 4.357 0.000 . 1 . . . . A 74 ILE HA . 25979 1
668 . 1 1 55 55 ILE HB H 1 1.560 0.000 . 1 . . . . A 74 ILE HB . 25979 1
669 . 1 1 55 55 ILE HG12 H 1 -0.034 0.000 . 2 . . . . A 74 ILE HG12 . 25979 1
670 . 1 1 55 55 ILE HG13 H 1 1.221 0.006 . 2 . . . . A 74 ILE HG13 . 25979 1
671 . 1 1 55 55 ILE HG21 H 1 0.493 0.000 . 1 . . . . A 74 ILE HG21 . 25979 1
672 . 1 1 55 55 ILE HG22 H 1 0.493 0.000 . 1 . . . . A 74 ILE HG22 . 25979 1
673 . 1 1 55 55 ILE HG23 H 1 0.493 0.000 . 1 . . . . A 74 ILE HG23 . 25979 1
674 . 1 1 55 55 ILE HD11 H 1 0.643 0.000 . 1 . . . . A 74 ILE HD11 . 25979 1
675 . 1 1 55 55 ILE HD12 H 1 0.643 0.000 . 1 . . . . A 74 ILE HD12 . 25979 1
676 . 1 1 55 55 ILE HD13 H 1 0.643 0.000 . 1 . . . . A 74 ILE HD13 . 25979 1
677 . 1 1 55 55 ILE C C 13 176.157 0.000 . 1 . . . . A 74 ILE C . 25979 1
678 . 1 1 55 55 ILE CA C 13 61.118 0.000 . 1 . . . . A 74 ILE CA . 25979 1
679 . 1 1 55 55 ILE CB C 13 37.169 0.000 . 1 . . . . A 74 ILE CB . 25979 1
680 . 1 1 55 55 ILE CG1 C 13 27.553 0.000 . 1 . . . . A 74 ILE CG1 . 25979 1
681 . 1 1 55 55 ILE CG2 C 13 18.806 0.000 . 1 . . . . A 74 ILE CG2 . 25979 1
682 . 1 1 55 55 ILE CD1 C 13 13.063 0.000 . 1 . . . . A 74 ILE CD1 . 25979 1
683 . 1 1 55 55 ILE N N 15 123.880 0.000 . 1 . . . . A 74 ILE N . 25979 1
684 . 1 1 56 56 ILE H H 1 8.003 0.000 . 1 . . . . A 75 ILE H . 25979 1
685 . 1 1 56 56 ILE HA H 1 4.328 0.000 . 1 . . . . A 75 ILE HA . 25979 1
686 . 1 1 56 56 ILE HB H 1 1.514 0.000 . 1 . . . . A 75 ILE HB . 25979 1
687 . 1 1 56 56 ILE HG12 H 1 1.324 0.000 . 2 . . . . A 75 ILE HG12 . 25979 1
688 . 1 1 56 56 ILE HG13 H 1 1.408 0.002 . 2 . . . . A 75 ILE HG13 . 25979 1
689 . 1 1 56 56 ILE HG21 H 1 0.965 0.000 . 1 . . . . A 75 ILE HG21 . 25979 1
690 . 1 1 56 56 ILE HG22 H 1 0.965 0.000 . 1 . . . . A 75 ILE HG22 . 25979 1
691 . 1 1 56 56 ILE HG23 H 1 0.965 0.000 . 1 . . . . A 75 ILE HG23 . 25979 1
692 . 1 1 56 56 ILE HD11 H 1 0.771 0.000 . 1 . . . . A 75 ILE HD11 . 25979 1
693 . 1 1 56 56 ILE HD12 H 1 0.771 0.000 . 1 . . . . A 75 ILE HD12 . 25979 1
694 . 1 1 56 56 ILE HD13 H 1 0.771 0.000 . 1 . . . . A 75 ILE HD13 . 25979 1
695 . 1 1 56 56 ILE C C 13 175.322 0.000 . 1 . . . . A 75 ILE C . 25979 1
696 . 1 1 56 56 ILE CA C 13 59.446 0.000 . 1 . . . . A 75 ILE CA . 25979 1
697 . 1 1 56 56 ILE CB C 13 40.283 0.000 . 1 . . . . A 75 ILE CB . 25979 1
698 . 1 1 56 56 ILE CG1 C 13 27.127 0.000 . 1 . . . . A 75 ILE CG1 . 25979 1
699 . 1 1 56 56 ILE CG2 C 13 20.304 0.000 . 1 . . . . A 75 ILE CG2 . 25979 1
700 . 1 1 56 56 ILE CD1 C 13 12.794 0.000 . 1 . . . . A 75 ILE CD1 . 25979 1
701 . 1 1 56 56 ILE N N 15 129.035 0.000 . 1 . . . . A 75 ILE N . 25979 1
702 . 1 1 57 57 PHE H H 1 9.155 0.000 . 1 . . . . A 76 PHE H . 25979 1
703 . 1 1 57 57 PHE HA H 1 4.945 0.000 . 1 . . . . A 76 PHE HA . 25979 1
704 . 1 1 57 57 PHE HB2 H 1 3.181 0.000 . 2 . . . . A 76 PHE HB2 . 25979 1
705 . 1 1 57 57 PHE HB3 H 1 3.014 0.003 . 2 . . . . A 76 PHE HB3 . 25979 1
706 . 1 1 57 57 PHE HD2 H 1 7.445 0.004 . 3 . . . . A 76 PHE HD2 . 25979 1
707 . 1 1 57 57 PHE HE2 H 1 7.341 0.006 . 3 . . . . A 76 PHE HE2 . 25979 1
708 . 1 1 57 57 PHE HZ H 1 7.261 0.002 . 1 . . . . A 76 PHE HZ . 25979 1
709 . 1 1 57 57 PHE C C 13 173.450 0.000 . 1 . . . . A 76 PHE C . 25979 1
710 . 1 1 57 57 PHE CA C 13 56.734 0.000 . 1 . . . . A 76 PHE CA . 25979 1
711 . 1 1 57 57 PHE CB C 13 37.859 0.000 . 1 . . . . A 76 PHE CB . 25979 1
712 . 1 1 57 57 PHE CD2 C 13 132.053 0.000 . 3 . . . . A 76 PHE CD2 . 25979 1
713 . 1 1 57 57 PHE CZ C 13 129.574 0.000 . 1 . . . . A 76 PHE CZ . 25979 1
714 . 1 1 57 57 PHE N N 15 129.738 0.000 . 1 . . . . A 76 PHE N . 25979 1
715 . 1 1 58 58 PRO HA H 1 4.485 0.000 . 1 . . . . A 77 PRO HA . 25979 1
716 . 1 1 58 58 PRO HB2 H 1 2.576 0.007 . 2 . . . . A 77 PRO HB2 . 25979 1
717 . 1 1 58 58 PRO HB3 H 1 1.943 0.008 . 2 . . . . A 77 PRO HB3 . 25979 1
718 . 1 1 58 58 PRO HG2 H 1 2.247 0.007 . 2 . . . . A 77 PRO HG2 . 25979 1
719 . 1 1 58 58 PRO HG3 H 1 1.890 0.007 . 2 . . . . A 77 PRO HG3 . 25979 1
720 . 1 1 58 58 PRO HD2 H 1 4.264 0.005 . 2 . . . . A 77 PRO HD2 . 25979 1
721 . 1 1 58 58 PRO HD3 H 1 3.832 0.004 . 2 . . . . A 77 PRO HD3 . 25979 1
722 . 1 1 58 58 PRO C C 13 177.007 0.000 . 1 . . . . A 77 PRO C . 25979 1
723 . 1 1 58 58 PRO CA C 13 64.754 0.000 . 1 . . . . A 77 PRO CA . 25979 1
724 . 1 1 58 58 PRO CB C 13 31.597 0.000 . 1 . . . . A 77 PRO CB . 25979 1
725 . 1 1 58 58 PRO CG C 13 28.209 0.000 . 1 . . . . A 77 PRO CG . 25979 1
726 . 1 1 58 58 PRO CD C 13 50.144 0.000 . 1 . . . . A 77 PRO CD . 25979 1
727 . 1 1 59 59 ASP H H 1 9.078 0.000 . 1 . . . . A 78 ASP H . 25979 1
728 . 1 1 59 59 ASP HA H 1 4.333 0.000 . 1 . . . . A 78 ASP HA . 25979 1
729 . 1 1 59 59 ASP HB2 H 1 2.982 0.000 . 2 . . . . A 78 ASP HB2 . 25979 1
730 . 1 1 59 59 ASP HB3 H 1 2.932 0.000 . 2 . . . . A 78 ASP HB3 . 25979 1
731 . 1 1 59 59 ASP C C 13 175.697 0.000 . 1 . . . . A 78 ASP C . 25979 1
732 . 1 1 59 59 ASP CA C 13 56.808 0.000 . 1 . . . . A 78 ASP CA . 25979 1
733 . 1 1 59 59 ASP CB C 13 40.478 0.000 . 1 . . . . A 78 ASP CB . 25979 1
734 . 1 1 59 59 ASP N N 15 119.069 0.000 . 1 . . . . A 78 ASP N . 25979 1
735 . 1 1 60 60 ASP H H 1 8.189 0.000 . 1 . . . . A 79 ASP H . 25979 1
736 . 1 1 60 60 ASP HA H 1 4.637 0.000 . 1 . . . . A 79 ASP HA . 25979 1
737 . 1 1 60 60 ASP HB2 H 1 3.178 0.000 . 2 . . . . A 79 ASP HB2 . 25979 1
738 . 1 1 60 60 ASP HB3 H 1 2.840 0.000 . 2 . . . . A 79 ASP HB3 . 25979 1
739 . 1 1 60 60 ASP C C 13 179.239 0.000 . 1 . . . . A 79 ASP C . 25979 1
740 . 1 1 60 60 ASP CA C 13 57.533 0.000 . 1 . . . . A 79 ASP CA . 25979 1
741 . 1 1 60 60 ASP CB C 13 42.584 0.000 . 1 . . . . A 79 ASP CB . 25979 1
742 . 1 1 60 60 ASP N N 15 120.140 0.000 . 1 . . . . A 79 ASP N . 25979 1
743 . 1 1 61 61 CYS H H 1 9.222 0.000 . 1 . . . . A 80 CYS H . 25979 1
744 . 1 1 61 61 CYS HA H 1 5.317 0.006 . 1 . . . . A 80 CYS HA . 25979 1
745 . 1 1 61 61 CYS HB2 H 1 2.103 0.006 . 2 . . . . A 80 CYS HB2 . 25979 1
746 . 1 1 61 61 CYS HB3 H 1 1.922 0.007 . 2 . . . . A 80 CYS HB3 . 25979 1
747 . 1 1 61 61 CYS C C 13 173.191 0.000 . 1 . . . . A 80 CYS C . 25979 1
748 . 1 1 61 61 CYS CA C 13 57.188 0.000 . 1 . . . . A 80 CYS CA . 25979 1
749 . 1 1 61 61 CYS CB C 13 32.986 0.000 . 1 . . . . A 80 CYS CB . 25979 1
750 . 1 1 61 61 CYS N N 15 115.687 0.000 . 1 . . . . A 80 CYS N . 25979 1
751 . 1 1 62 62 GLU H H 1 8.024 0.000 . 1 . . . . A 81 GLU H . 25979 1
752 . 1 1 62 62 GLU HA H 1 4.510 0.000 . 1 . . . . A 81 GLU HA . 25979 1
753 . 1 1 62 62 GLU HB2 H 1 1.889 0.003 . 2 . . . . A 81 GLU HB2 . 25979 1
754 . 1 1 62 62 GLU HG2 H 1 2.085 0.000 . 2 . . . . A 81 GLU HG2 . 25979 1
755 . 1 1 62 62 GLU C C 13 172.816 0.000 . 1 . . . . A 81 GLU C . 25979 1
756 . 1 1 62 62 GLU CA C 13 54.771 0.000 . 1 . . . . A 81 GLU CA . 25979 1
757 . 1 1 62 62 GLU CB C 13 33.951 0.000 . 1 . . . . A 81 GLU CB . 25979 1
758 . 1 1 62 62 GLU CG C 13 35.742 0.000 . 1 . . . . A 81 GLU CG . 25979 1
759 . 1 1 62 62 GLU N N 15 117.084 0.000 . 1 . . . . A 81 GLU N . 25979 1
760 . 1 1 63 63 PHE H H 1 9.468 0.000 . 1 . . . . A 82 PHE H . 25979 1
761 . 1 1 63 63 PHE HA H 1 6.124 0.005 . 1 . . . . A 82 PHE HA . 25979 1
762 . 1 1 63 63 PHE HB2 H 1 3.139 0.005 . 2 . . . . A 82 PHE HB2 . 25979 1
763 . 1 1 63 63 PHE HB3 H 1 2.579 0.010 . 2 . . . . A 82 PHE HB3 . 25979 1
764 . 1 1 63 63 PHE HD1 H 1 7.338 0.004 . 3 . . . . A 82 PHE HD1 . 25979 1
765 . 1 1 63 63 PHE HE1 H 1 6.919 0.002 . 3 . . . . A 82 PHE HE1 . 25979 1
766 . 1 1 63 63 PHE HZ H 1 6.584 0.002 . 1 . . . . A 82 PHE HZ . 25979 1
767 . 1 1 63 63 PHE C C 13 175.437 0.000 . 1 . . . . A 82 PHE C . 25979 1
768 . 1 1 63 63 PHE CA C 13 55.245 0.000 . 1 . . . . A 82 PHE CA . 25979 1
769 . 1 1 63 63 PHE CB C 13 42.169 0.000 . 1 . . . . A 82 PHE CB . 25979 1
770 . 1 1 63 63 PHE N N 15 128.098 0.000 . 1 . . . . A 82 PHE N . 25979 1
771 . 1 1 64 64 LYS H H 1 8.957 0.000 . 1 . . . . A 83 LYS H . 25979 1
772 . 1 1 64 64 LYS HA H 1 4.855 0.000 . 1 . . . . A 83 LYS HA . 25979 1
773 . 1 1 64 64 LYS HB2 H 1 1.691 0.000 . 2 . . . . A 83 LYS HB2 . 25979 1
774 . 1 1 64 64 LYS HB3 H 1 1.796 0.000 . 2 . . . . A 83 LYS HB3 . 25979 1
775 . 1 1 64 64 LYS HG2 H 1 1.281 0.000 . 2 . . . . A 83 LYS HG2 . 25979 1
776 . 1 1 64 64 LYS HD2 H 1 1.610 0.004 . 2 . . . . A 83 LYS HD2 . 25979 1
777 . 1 1 64 64 LYS HD3 H 1 1.555 0.004 . 2 . . . . A 83 LYS HD3 . 25979 1
778 . 1 1 64 64 LYS HE2 H 1 2.925 0.005 . 2 . . . . A 83 LYS HE2 . 25979 1
779 . 1 1 64 64 LYS HE3 H 1 2.819 0.007 . 2 . . . . A 83 LYS HE3 . 25979 1
780 . 1 1 64 64 LYS C C 13 173.680 0.000 . 1 . . . . A 83 LYS C . 25979 1
781 . 1 1 64 64 LYS CA C 13 54.736 0.000 . 1 . . . . A 83 LYS CA . 25979 1
782 . 1 1 64 64 LYS CB C 13 36.304 0.000 . 1 . . . . A 83 LYS CB . 25979 1
783 . 1 1 64 64 LYS CG C 13 23.621 0.000 . 1 . . . . A 83 LYS CG . 25979 1
784 . 1 1 64 64 LYS CD C 13 29.521 0.000 . 1 . . . . A 83 LYS CD . 25979 1
785 . 1 1 64 64 LYS CE C 13 41.739 0.000 . 1 . . . . A 83 LYS CE . 25979 1
786 . 1 1 64 64 LYS N N 15 124.583 0.000 . 1 . . . . A 83 LYS N . 25979 1
787 . 1 1 65 65 ARG H H 1 8.745 0.000 . 1 . . . . A 84 ARG H . 25979 1
788 . 1 1 65 65 ARG HA H 1 3.262 0.006 . 1 . . . . A 84 ARG HA . 25979 1
789 . 1 1 65 65 ARG HB2 H 1 1.598 0.003 . 2 . . . . A 84 ARG HB2 . 25979 1
790 . 1 1 65 65 ARG HB3 H 1 1.470 0.002 . 2 . . . . A 84 ARG HB3 . 25979 1
791 . 1 1 65 65 ARG HG2 H 1 1.322 0.002 . 2 . . . . A 84 ARG HG2 . 25979 1
792 . 1 1 65 65 ARG HG3 H 1 0.980 0.000 . 2 . . . . A 84 ARG HG3 . 25979 1
793 . 1 1 65 65 ARG HD2 H 1 3.007 0.005 . 2 . . . . A 84 ARG HD2 . 25979 1
794 . 1 1 65 65 ARG HD3 H 1 2.816 0.000 . 2 . . . . A 84 ARG HD3 . 25979 1
795 . 1 1 65 65 ARG C C 13 175.956 0.000 . 1 . . . . A 84 ARG C . 25979 1
796 . 1 1 65 65 ARG CA C 13 55.718 0.000 . 1 . . . . A 84 ARG CA . 25979 1
797 . 1 1 65 65 ARG CB C 13 30.572 0.000 . 1 . . . . A 84 ARG CB . 25979 1
798 . 1 1 65 65 ARG N N 15 123.880 0.000 . 1 . . . . A 84 ARG N . 25979 1
799 . 1 1 66 66 VAL H H 1 8.529 0.000 . 1 . . . . A 85 VAL H . 25979 1
800 . 1 1 66 66 VAL HA H 1 4.447 0.004 . 1 . . . . A 85 VAL HA . 25979 1
801 . 1 1 66 66 VAL HB H 1 1.926 0.000 . 1 . . . . A 85 VAL HB . 25979 1
802 . 1 1 66 66 VAL HG11 H 1 1.080 0.000 . 2 . . . . A 85 VAL HG11 . 25979 1
803 . 1 1 66 66 VAL HG12 H 1 1.080 0.000 . 2 . . . . A 85 VAL HG12 . 25979 1
804 . 1 1 66 66 VAL HG13 H 1 1.080 0.000 . 2 . . . . A 85 VAL HG13 . 25979 1
805 . 1 1 66 66 VAL HG21 H 1 1.172 0.023 . 2 . . . . A 85 VAL HG21 . 25979 1
806 . 1 1 66 66 VAL HG22 H 1 1.172 0.023 . 2 . . . . A 85 VAL HG22 . 25979 1
807 . 1 1 66 66 VAL HG23 H 1 1.172 0.023 . 2 . . . . A 85 VAL HG23 . 25979 1
808 . 1 1 66 66 VAL C C 13 174.991 0.000 . 1 . . . . A 85 VAL C . 25979 1
809 . 1 1 66 66 VAL CA C 13 59.707 0.000 . 1 . . . . A 85 VAL CA . 25979 1
810 . 1 1 66 66 VAL CB C 13 31.780 0.000 . 1 . . . . A 85 VAL CB . 25979 1
811 . 1 1 66 66 VAL CG1 C 13 22.715 0.000 . 2 . . . . A 85 VAL CG1 . 25979 1
812 . 1 1 66 66 VAL CG2 C 13 22.305 0.000 . 2 . . . . A 85 VAL CG2 . 25979 1
813 . 1 1 66 66 VAL N N 15 127.395 0.000 . 1 . . . . A 85 VAL N . 25979 1
814 . 1 1 67 67 PRO HA H 1 4.281 0.004 . 1 . . . . A 86 PRO HA . 25979 1
815 . 1 1 67 67 PRO HB2 H 1 2.220 0.006 . 2 . . . . A 86 PRO HB2 . 25979 1
816 . 1 1 67 67 PRO HB3 H 1 1.916 0.004 . 2 . . . . A 86 PRO HB3 . 25979 1
817 . 1 1 67 67 PRO HD2 H 1 4.099 0.002 . 2 . . . . A 86 PRO HD2 . 25979 1
818 . 1 1 67 67 PRO HD3 H 1 4.027 0.006 . 2 . . . . A 86 PRO HD3 . 25979 1
819 . 1 1 67 67 PRO C C 13 173.170 0.000 . 1 . . . . A 86 PRO C . 25979 1
820 . 1 1 67 67 PRO CA C 13 61.816 0.000 . 1 . . . . A 86 PRO CA . 25979 1
821 . 1 1 67 67 PRO CB C 13 31.825 0.000 . 1 . . . . A 86 PRO CB . 25979 1
822 . 1 1 67 67 PRO CG C 13 27.307 0.000 . 1 . . . . A 86 PRO CG . 25979 1
823 . 1 1 67 67 PRO CD C 13 50.939 0.000 . 1 . . . . A 86 PRO CD . 25979 1
824 . 1 1 68 68 GLN H H 1 8.246 0.000 . 1 . . . . A 87 GLN H . 25979 1
825 . 1 1 68 68 GLN HA H 1 4.078 0.006 . 1 . . . . A 87 GLN HA . 25979 1
826 . 1 1 68 68 GLN HB2 H 1 2.334 0.000 . 2 . . . . A 87 GLN HB2 . 25979 1
827 . 1 1 68 68 GLN HB3 H 1 1.964 0.003 . 2 . . . . A 87 GLN HB3 . 25979 1
828 . 1 1 68 68 GLN HG2 H 1 2.636 0.002 . 2 . . . . A 87 GLN HG2 . 25979 1
829 . 1 1 68 68 GLN HG3 H 1 2.520 0.002 . 2 . . . . A 87 GLN HG2 . 25979 1
830 . 1 1 68 68 GLN HE21 H 1 6.993 0.002 . 2 . . . . A 87 GLN HE21 . 25979 1
831 . 1 1 68 68 GLN HE22 H 1 7.768 0.002 . 2 . . . . A 87 GLN HE22 . 25979 1
832 . 1 1 68 68 GLN C C 13 174.113 0.000 . 1 . . . . A 87 GLN C . 25979 1
833 . 1 1 68 68 GLN CA C 13 58.074 0.000 . 1 . . . . A 87 GLN CA . 25979 1
834 . 1 1 68 68 GLN CB C 13 27.826 0.000 . 1 . . . . A 87 GLN CB . 25979 1
835 . 1 1 68 68 GLN N N 15 116.368 0.000 . 1 . . . . A 87 GLN N . 25979 1
836 . 1 1 68 68 GLN NE2 N 15 111.904 0.000 . 1 . . . . A 87 GLN NE2 . 25979 1
837 . 1 1 69 69 CYS H H 1 6.678 0.000 . 1 . . . . A 88 CYS H . 25979 1
838 . 1 1 69 69 CYS HA H 1 4.874 0.000 . 1 . . . . A 88 CYS HA . 25979 1
839 . 1 1 69 69 CYS HB2 H 1 2.166 0.000 . 2 . . . . A 88 CYS HB2 . 25979 1
840 . 1 1 69 69 CYS C C 13 173.709 0.000 . 1 . . . . A 88 CYS C . 25979 1
841 . 1 1 69 69 CYS CA C 13 55.478 0.000 . 1 . . . . A 88 CYS CA . 25979 1
842 . 1 1 69 69 CYS CB C 13 26.412 0.000 . 1 . . . . A 88 CYS CB . 25979 1
843 . 1 1 69 69 CYS N N 15 117.552 0.000 . 1 . . . . A 88 CYS N . 25979 1
844 . 1 1 70 70 PRO HD2 H 1 3.892 0.000 . 2 . . . . A 89 PRO HD2 . 25979 1
845 . 1 1 70 70 PRO HD3 H 1 3.803 0.000 . 2 . . . . A 89 PRO HD3 . 25979 1
846 . 1 1 70 70 PRO C C 13 175.740 0.000 . 1 . . . . A 89 PRO C . 25979 1
847 . 1 1 70 70 PRO CA C 13 62.706 0.000 . 1 . . . . A 89 PRO CA . 25979 1
848 . 1 1 70 70 PRO CB C 13 33.870 0.000 . 1 . . . . A 89 PRO CB . 25979 1
849 . 1 1 72 72 GLY H H 1 7.548 0.000 . 1 . . . . A 91 GLY H . 25979 1
850 . 1 1 72 72 GLY HA2 H 1 4.197 0.000 . 2 . . . . A 91 GLY HA2 . 25979 1
851 . 1 1 72 72 GLY HA3 H 1 3.741 0.000 . 2 . . . . A 91 GLY HA3 . 25979 1
852 . 1 1 72 72 GLY C C 13 172.082 0.000 . 1 . . . . A 91 GLY C . 25979 1
853 . 1 1 72 72 GLY CA C 13 45.211 0.000 . 1 . . . . A 91 GLY CA . 25979 1
854 . 1 1 72 72 GLY N N 15 108.648 0.000 . 1 . . . . A 91 GLY N . 25979 1
855 . 1 1 73 73 ARG HD2 H 1 3.298 0.005 . 2 . . . . A 92 ARG HD2 . 25979 1
856 . 1 1 73 73 ARG HD3 H 1 3.249 0.000 . 2 . . . . A 92 ARG HD3 . 25979 1
857 . 1 1 73 73 ARG HE H 1 9.919 0.003 . 1 . . . . A 92 ARG HE . 25979 1
858 . 1 1 73 73 ARG NE N 15 87.327 0.000 . 1 . . . . A 92 ARG NE . 25979 1
859 . 1 1 74 74 VAL HA H 1 5.316 0.005 . 1 . . . . A 93 VAL HA . 25979 1
860 . 1 1 74 74 VAL HB H 1 1.838 0.002 . 1 . . . . A 93 VAL HB . 25979 1
861 . 1 1 74 74 VAL HG21 H 1 1.246 0.004 . 2 . . . . A 93 VAL HG21 . 25979 1
862 . 1 1 74 74 VAL HG22 H 1 1.246 0.004 . 2 . . . . A 93 VAL HG22 . 25979 1
863 . 1 1 74 74 VAL HG23 H 1 1.246 0.004 . 2 . . . . A 93 VAL HG23 . 25979 1
864 . 1 1 74 74 VAL C C 13 174.061 0.000 . 1 . . . . A 93 VAL C . 25979 1
865 . 1 1 74 74 VAL CA C 13 61.401 0.000 . 1 . . . . A 93 VAL CA . 25979 1
866 . 1 1 74 74 VAL CB C 13 33.635 0.000 . 1 . . . . A 93 VAL CB . 25979 1
867 . 1 1 74 74 VAL CG2 C 13 21.895 0.000 . 2 . . . . A 93 VAL CG2 . 25979 1
868 . 1 1 75 75 TYR H H 1 9.448 0.000 . 1 . . . . A 94 TYR H . 25979 1
869 . 1 1 75 75 TYR HA H 1 4.814 0.003 . 1 . . . . A 94 TYR HA . 25979 1
870 . 1 1 75 75 TYR HB2 H 1 2.313 0.008 . 2 . . . . A 94 TYR HB2 . 25979 1
871 . 1 1 75 75 TYR HD2 H 1 6.567 0.002 . 3 . . . . A 94 TYR HD2 . 25979 1
872 . 1 1 75 75 TYR HE2 H 1 6.619 0.002 . 3 . . . . A 94 TYR HE2 . 25979 1
873 . 1 1 75 75 TYR C C 13 173.176 0.000 . 1 . . . . A 94 TYR C . 25979 1
874 . 1 1 75 75 TYR CA C 13 56.415 0.000 . 1 . . . . A 94 TYR CA . 25979 1
875 . 1 1 75 75 TYR CB C 13 44.350 0.000 . 1 . . . . A 94 TYR CB . 25979 1
876 . 1 1 75 75 TYR CD2 C 13 132.794 0.000 . 3 . . . . A 94 TYR CD2 . 25979 1
877 . 1 1 75 75 TYR CE2 C 13 117.022 0.000 . 3 . . . . A 94 TYR CE2 . 25979 1
878 . 1 1 75 75 TYR N N 15 126.692 0.000 . 1 . . . . A 94 TYR N . 25979 1
879 . 1 1 76 76 VAL H H 1 9.205 0.000 . 1 . . . . A 95 VAL H . 25979 1
880 . 1 1 76 76 VAL HA H 1 5.062 0.008 . 1 . . . . A 95 VAL HA . 25979 1
881 . 1 1 76 76 VAL HB H 1 1.384 0.004 . 1 . . . . A 95 VAL HB . 25979 1
882 . 1 1 76 76 VAL HG11 H 1 0.833 0.005 . 2 . . . . A 95 VAL HG11 . 25979 1
883 . 1 1 76 76 VAL HG12 H 1 0.833 0.005 . 2 . . . . A 95 VAL HG12 . 25979 1
884 . 1 1 76 76 VAL HG13 H 1 0.833 0.005 . 2 . . . . A 95 VAL HG13 . 25979 1
885 . 1 1 76 76 VAL HG21 H 1 -0.161 0.000 . 2 . . . . A 95 VAL HG21 . 25979 1
886 . 1 1 76 76 VAL HG22 H 1 -0.161 0.000 . 2 . . . . A 95 VAL HG22 . 25979 1
887 . 1 1 76 76 VAL HG23 H 1 -0.161 0.000 . 2 . . . . A 95 VAL HG23 . 25979 1
888 . 1 1 76 76 VAL C C 13 172.240 0.000 . 1 . . . . A 95 VAL C . 25979 1
889 . 1 1 76 76 VAL CA C 13 56.765 0.000 . 1 . . . . A 95 VAL CA . 25979 1
890 . 1 1 76 76 VAL CB C 13 35.981 0.000 . 1 . . . . A 95 VAL CB . 25979 1
891 . 1 1 76 76 VAL CG1 C 13 19.435 0.000 . 2 . . . . A 95 VAL CG1 . 25979 1
892 . 1 1 76 76 VAL CG2 C 13 21.752 0.000 . 2 . . . . A 95 VAL CG2 . 25979 1
893 . 1 1 76 76 VAL N N 15 119.427 0.000 . 1 . . . . A 95 VAL N . 25979 1
894 . 1 1 77 77 LEU H H 1 9.474 0.000 . 1 . . . . A 96 LEU H . 25979 1
895 . 1 1 77 77 LEU HA H 1 4.942 0.000 . 1 . . . . A 96 LEU HA . 25979 1
896 . 1 1 77 77 LEU HB2 H 1 1.101 0.000 . 2 . . . . A 96 LEU HB2 . 25979 1
897 . 1 1 77 77 LEU HB3 H 1 2.174 0.008 . 2 . . . . A 96 LEU HB3 . 25979 1
898 . 1 1 77 77 LEU HG H 1 0.820 0.000 . 1 . . . . A 96 LEU HG . 25979 1
899 . 1 1 77 77 LEU HD11 H 1 0.326 0.000 . 2 . . . . A 96 LEU HD11 . 25979 1
900 . 1 1 77 77 LEU HD12 H 1 0.326 0.000 . 2 . . . . A 96 LEU HD12 . 25979 1
901 . 1 1 77 77 LEU HD13 H 1 0.326 0.000 . 2 . . . . A 96 LEU HD13 . 25979 1
902 . 1 1 77 77 LEU HD21 H 1 -0.044 0.000 . 2 . . . . A 96 LEU HD21 . 25979 1
903 . 1 1 77 77 LEU HD22 H 1 -0.044 0.000 . 2 . . . . A 96 LEU HD22 . 25979 1
904 . 1 1 77 77 LEU HD23 H 1 -0.044 0.000 . 2 . . . . A 96 LEU HD23 . 25979 1
905 . 1 1 77 77 LEU C C 13 174.055 0.000 . 1 . . . . A 96 LEU C . 25979 1
906 . 1 1 77 77 LEU CA C 13 53.501 0.000 . 1 . . . . A 96 LEU CA . 25979 1
907 . 1 1 77 77 LEU CB C 13 43.333 0.000 . 1 . . . . A 96 LEU CB . 25979 1
908 . 1 1 77 77 LEU CG C 13 26.979 0.000 . 1 . . . . A 96 LEU CG . 25979 1
909 . 1 1 77 77 LEU CD1 C 13 23.048 0.000 . 2 . . . . A 96 LEU CD1 . 25979 1
910 . 1 1 77 77 LEU CD2 C 13 24.714 0.000 . 2 . . . . A 96 LEU CD2 . 25979 1
911 . 1 1 77 77 LEU N N 15 128.567 0.000 . 1 . . . . A 96 LEU N . 25979 1
912 . 1 1 78 78 LYS H H 1 9.060 0.000 . 1 . . . . A 97 LYS H . 25979 1
913 . 1 1 78 78 LYS HA H 1 4.576 0.000 . 1 . . . . A 97 LYS HA . 25979 1
914 . 1 1 78 78 LYS HB2 H 1 1.877 0.000 . 2 . . . . A 97 LYS HB2 . 25979 1
915 . 1 1 78 78 LYS HB3 H 1 1.566 0.000 . 2 . . . . A 97 LYS HB3 . 25979 1
916 . 1 1 78 78 LYS HG2 H 1 1.250 0.000 . 2 . . . . A 97 LYS HG2 . 25979 1
917 . 1 1 78 78 LYS HG3 H 1 1.060 0.000 . 2 . . . . A 97 LYS HG3 . 25979 1
918 . 1 1 78 78 LYS HD2 H 1 1.645 0.009 . 2 . . . . A 97 LYS HD2 . 25979 1
919 . 1 1 78 78 LYS HD3 H 1 1.609 0.006 . 2 . . . . A 97 LYS HD3 . 25979 1
920 . 1 1 78 78 LYS HE3 H 1 2.887 0.000 . 2 . . . . A 97 LYS HE3 . 25979 1
921 . 1 1 78 78 LYS C C 13 175.538 0.000 . 1 . . . . A 97 LYS C . 25979 1
922 . 1 1 78 78 LYS CA C 13 55.222 0.000 . 1 . . . . A 97 LYS CA . 25979 1
923 . 1 1 78 78 LYS CB C 13 34.886 0.000 . 1 . . . . A 97 LYS CB . 25979 1
924 . 1 1 78 78 LYS CG C 13 25.448 0.000 . 1 . . . . A 97 LYS CG . 25979 1
925 . 1 1 78 78 LYS CD C 13 29.849 0.000 . 1 . . . . A 97 LYS CD . 25979 1
926 . 1 1 78 78 LYS CE C 13 41.739 0.000 . 1 . . . . A 97 LYS CE . 25979 1
927 . 1 1 78 78 LYS N N 15 126.926 0.000 . 1 . . . . A 97 LYS N . 25979 1
928 . 1 1 79 79 PHE H H 1 7.713 0.000 . 1 . . . . A 98 PHE H . 25979 1
929 . 1 1 79 79 PHE HA H 1 4.763 0.000 . 1 . . . . A 98 PHE HA . 25979 1
930 . 1 1 79 79 PHE HB2 H 1 3.247 0.004 . 2 . . . . A 98 PHE HB2 . 25979 1
931 . 1 1 79 79 PHE HB3 H 1 3.082 0.000 . 2 . . . . A 98 PHE HB3 . 25979 1
932 . 1 1 79 79 PHE HD1 H 1 7.210 0.006 . 3 . . . . A 98 PHE HD1 . 25979 1
933 . 1 1 79 79 PHE HE1 H 1 7.096 0.021 . 3 . . . . A 98 PHE HE1 . 25979 1
934 . 1 1 79 79 PHE HZ H 1 6.966 0.002 . 1 . . . . A 98 PHE HZ . 25979 1
935 . 1 1 79 79 PHE C C 13 175.869 0.000 . 1 . . . . A 98 PHE C . 25979 1
936 . 1 1 79 79 PHE CA C 13 57.848 0.000 . 1 . . . . A 98 PHE CA . 25979 1
937 . 1 1 79 79 PHE CB C 13 38.103 0.000 . 1 . . . . A 98 PHE CB . 25979 1
938 . 1 1 79 79 PHE CD1 C 13 132.181 0.000 . 3 . . . . A 98 PHE CD1 . 25979 1
939 . 1 1 79 79 PHE CE1 C 13 130.865 0.000 . 3 . . . . A 98 PHE CE1 . 25979 1
940 . 1 1 79 79 PHE CZ C 13 129.582 0.000 . 1 . . . . A 98 PHE CZ . 25979 1
941 . 1 1 79 79 PHE N N 15 126.692 0.000 . 1 . . . . A 98 PHE N . 25979 1
942 . 1 1 80 80 LYS H H 1 8.332 0.000 . 1 . . . . A 99 LYS H . 25979 1
943 . 1 1 80 80 LYS HA H 1 3.964 0.000 . 1 . . . . A 99 LYS HA . 25979 1
944 . 1 1 80 80 LYS HB2 H 1 1.902 0.000 . 2 . . . . A 99 LYS HB2 . 25979 1
945 . 1 1 80 80 LYS HB3 H 1 1.796 0.005 . 2 . . . . A 99 LYS HB3 . 25979 1
946 . 1 1 80 80 LYS HG2 H 1 1.381 0.000 . 2 . . . . A 99 LYS HG2 . 25979 1
947 . 1 1 80 80 LYS HD2 H 1 1.624 0.000 . 2 . . . . A 99 LYS HD2 . 25979 1
948 . 1 1 80 80 LYS HD3 H 1 1.677 0.001 . 2 . . . . A 99 LYS HD3 . 25979 1
949 . 1 1 80 80 LYS HE2 H 1 2.814 0.003 . 2 . . . . A 99 LYS HE2 . 25979 1
950 . 1 1 80 80 LYS HE3 H 1 2.830 0.000 . 2 . . . . A 99 LYS HE3 . 25979 1
951 . 1 1 80 80 LYS C C 13 177.036 0.000 . 1 . . . . A 99 LYS C . 25979 1
952 . 1 1 80 80 LYS CA C 13 59.158 0.000 . 1 . . . . A 99 LYS CA . 25979 1
953 . 1 1 80 80 LYS CB C 13 32.255 0.000 . 1 . . . . A 99 LYS CB . 25979 1
954 . 1 1 80 80 LYS CG C 13 25.609 0.000 . 1 . . . . A 99 LYS CG . 25979 1
955 . 1 1 80 80 LYS CD C 13 28.816 0.040 . 1 . . . . A 99 LYS CD . 25979 1
956 . 1 1 80 80 LYS CE C 13 41.411 0.000 . 1 . . . . A 99 LYS CE . 25979 1
957 . 1 1 80 80 LYS N N 15 123.177 0.000 . 1 . . . . A 99 LYS N . 25979 1
958 . 1 1 81 81 ALA H H 1 8.990 0.000 . 1 . . . . A 100 ALA H . 25979 1
959 . 1 1 81 81 ALA HA H 1 4.597 0.000 . 1 . . . . A 100 ALA HA . 25979 1
960 . 1 1 81 81 ALA HB1 H 1 1.455 0.000 . 1 . . . . A 100 ALA HB1 . 25979 1
961 . 1 1 81 81 ALA HB2 H 1 1.455 0.000 . 1 . . . . A 100 ALA HB2 . 25979 1
962 . 1 1 81 81 ALA HB3 H 1 1.455 0.000 . 1 . . . . A 100 ALA HB3 . 25979 1
963 . 1 1 81 81 ALA C C 13 177.525 0.000 . 1 . . . . A 100 ALA C . 25979 1
964 . 1 1 81 81 ALA CA C 13 51.614 0.000 . 1 . . . . A 100 ALA CA . 25979 1
965 . 1 1 81 81 ALA CB C 13 18.967 0.000 . 1 . . . . A 100 ALA CB . 25979 1
966 . 1 1 81 81 ALA N N 15 121.536 0.000 . 1 . . . . A 100 ALA N . 25979 1
967 . 1 1 82 82 GLY H H 1 8.000 0.000 . 1 . . . . A 101 GLY H . 25979 1
968 . 1 1 82 82 GLY HA2 H 1 4.133 0.001 . 2 . . . . A 101 GLY HA2 . 25979 1
969 . 1 1 82 82 GLY HA3 H 1 4.035 0.001 . 2 . . . . A 101 GLY HA3 . 25979 1
970 . 1 1 82 82 GLY C C 13 173.695 0.000 . 1 . . . . A 101 GLY C . 25979 1
971 . 1 1 82 82 GLY CA C 13 45.473 0.000 . 1 . . . . A 101 GLY CA . 25979 1
972 . 1 1 82 82 GLY N N 15 108.016 0.000 . 1 . . . . A 101 GLY N . 25979 1
973 . 1 1 83 83 SER H H 1 8.125 0.000 . 1 . . . . A 102 SER H . 25979 1
974 . 1 1 83 83 SER HA H 1 4.417 0.000 . 1 . . . . A 102 SER HA . 25979 1
975 . 1 1 83 83 SER HB2 H 1 3.984 0.000 . 2 . . . . A 102 SER HB2 . 25979 1
976 . 1 1 83 83 SER HB3 H 1 3.866 0.000 . 2 . . . . A 102 SER HB3 . 25979 1
977 . 1 1 83 83 SER C C 13 174.950 0.000 . 1 . . . . A 102 SER C . 25979 1
978 . 1 1 83 83 SER CA C 13 57.996 0.000 . 1 . . . . A 102 SER CA . 25979 1
979 . 1 1 83 83 SER CB C 13 63.982 0.000 . 1 . . . . A 102 SER CB . 25979 1
980 . 1 1 83 83 SER N N 15 115.451 0.000 . 1 . . . . A 102 SER N . 25979 1
981 . 1 1 84 84 LYS H H 1 7.958 0.000 . 1 . . . . A 103 LYS H . 25979 1
982 . 1 1 84 84 LYS HA H 1 4.221 0.000 . 1 . . . . A 103 LYS HA . 25979 1
983 . 1 1 84 84 LYS HB2 H 1 1.478 0.000 . 2 . . . . A 103 LYS HB2 . 25979 1
984 . 1 1 84 84 LYS HB3 H 1 1.351 0.000 . 2 . . . . A 103 LYS HB3 . 25979 1
985 . 1 1 84 84 LYS HG2 H 1 1.262 0.000 . 2 . . . . A 103 LYS HG2 . 25979 1
986 . 1 1 84 84 LYS HD2 H 1 1.011 0.002 . 2 . . . . A 103 LYS HD2 . 25979 1
987 . 1 1 84 84 LYS HD3 H 1 0.973 0.011 . 2 . . . . A 103 LYS HD3 . 25979 1
988 . 1 1 84 84 LYS HE2 H 1 2.445 0.005 . 2 . . . . A 103 LYS HE2 . 25979 1
989 . 1 1 84 84 LYS HE3 H 1 2.430 0.005 . 2 . . . . A 103 LYS HE3 . 25979 1
990 . 1 1 84 84 LYS C C 13 177.065 0.000 . 1 . . . . A 103 LYS C . 25979 1
991 . 1 1 84 84 LYS CA C 13 54.909 0.000 . 1 . . . . A 103 LYS CA . 25979 1
992 . 1 1 84 84 LYS CB C 13 32.019 0.000 . 1 . . . . A 103 LYS CB . 25979 1
993 . 1 1 84 84 LYS CG C 13 24.683 0.000 . 1 . . . . A 103 LYS CG . 25979 1
994 . 1 1 84 84 LYS CD C 13 28.865 0.000 . 1 . . . . A 103 LYS CD . 25979 1
995 . 1 1 84 84 LYS CE C 13 41.008 0.000 . 1 . . . . A 103 LYS CE . 25979 1
996 . 1 1 84 84 LYS N N 15 123.187 0.000 . 1 . . . . A 103 LYS N . 25979 1
997 . 1 1 85 85 ARG H H 1 8.428 0.000 . 1 . . . . A 104 ARG H . 25979 1
998 . 1 1 85 85 ARG HA H 1 5.029 0.000 . 1 . . . . A 104 ARG HA . 25979 1
999 . 1 1 85 85 ARG HB2 H 1 1.653 0.005 . 2 . . . . A 104 ARG HB2 . 25979 1
1000 . 1 1 85 85 ARG HB3 H 1 1.653 0.005 . 2 . . . . A 104 ARG HB3 . 25979 1
1001 . 1 1 85 85 ARG HG2 H 1 1.766 0.007 . 2 . . . . A 104 ARG HG2 . 25979 1
1002 . 1 1 85 85 ARG HG3 H 1 1.705 0.025 . 2 . . . . A 104 ARG HG3 . 25979 1
1003 . 1 1 85 85 ARG HD2 H 1 3.245 0.000 . 2 . . . . A 104 ARG HD2 . 25979 1
1004 . 1 1 85 85 ARG HD3 H 1 3.046 0.000 . 2 . . . . A 104 ARG HD3 . 25979 1
1005 . 1 1 85 85 ARG C C 13 173.837 0.000 . 1 . . . . A 104 ARG C . 25979 1
1006 . 1 1 85 85 ARG CA C 13 54.840 0.000 . 1 . . . . A 104 ARG CA . 25979 1
1007 . 1 1 85 85 ARG CB C 13 33.099 0.000 . 1 . . . . A 104 ARG CB . 25979 1
1008 . 1 1 85 85 ARG CG C 13 27.881 0.000 . 1 . . . . A 104 ARG CG . 25979 1
1009 . 1 1 85 85 ARG CD C 13 43.215 0.000 . 1 . . . . A 104 ARG CD . 25979 1
1010 . 1 1 85 85 ARG N N 15 128.098 0.000 . 1 . . . . A 104 ARG N . 25979 1
1011 . 1 1 86 86 LEU H H 1 8.15 0.000 . 1 . . . . A 105 LEU H . 25979 1
1012 . 1 1 86 86 LEU HA H 1 4.769 0.007 . 1 . . . . A 105 LEU HA . 25979 1
1013 . 1 1 86 86 LEU HB2 H 1 1.755 0.003 . 2 . . . . A 105 LEU HB2 . 25979 1
1014 . 1 1 86 86 LEU HB3 H 1 1.621 0.006 . 2 . . . . A 105 LEU HB3 . 25979 1
1015 . 1 1 86 86 LEU HG H 1 1.677 0.002 . 1 . . . . A 105 LEU HG . 25979 1
1016 . 1 1 86 86 LEU HD11 H 1 0.977 0.000 . 2 . . . . A 105 LEU HD11 . 25979 1
1017 . 1 1 86 86 LEU HD12 H 1 0.977 0.000 . 2 . . . . A 105 LEU HD12 . 25979 1
1018 . 1 1 86 86 LEU HD13 H 1 0.977 0.000 . 2 . . . . A 105 LEU HD13 . 25979 1
1019 . 1 1 86 86 LEU HD21 H 1 1.025 0.008 . 2 . . . . A 105 LEU HD21 . 25979 1
1020 . 1 1 86 86 LEU HD22 H 1 1.025 0.008 . 2 . . . . A 105 LEU HD22 . 25979 1
1021 . 1 1 86 86 LEU HD23 H 1 1.025 0.008 . 2 . . . . A 105 LEU HD23 . 25979 1
1022 . 1 1 86 86 LEU C C 13 174.026 0.000 . 1 . . . . A 105 LEU C . 25979 1
1023 . 1 1 86 86 LEU CA C 13 53.814 0.000 . 1 . . . . A 105 LEU CA . 25979 1
1024 . 1 1 86 86 LEU CB C 13 44.564 0.000 . 1 . . . . A 105 LEU CB . 25979 1
1025 . 1 1 86 86 LEU CG C 13 28.209 0.000 . 1 . . . . A 105 LEU CG . 25979 1
1026 . 1 1 86 86 LEU CD1 C 13 24.273 0.000 . 2 . . . . A 105 LEU CD1 . 25979 1
1027 . 1 1 86 86 LEU CD2 C 13 25.585 0.000 . 2 . . . . A 105 LEU CD2 . 25979 1
1028 . 1 1 86 86 LEU N N 15 122.005 0.000 . 1 . . . . A 105 LEU N . 25979 1
1029 . 1 1 87 87 PHE H H 1 8.094 0.000 . 1 . . . . A 106 PHE H . 25979 1
1030 . 1 1 87 87 PHE HA H 1 5.137 0.000 . 1 . . . . A 106 PHE HA . 25979 1
1031 . 1 1 87 87 PHE HB2 H 1 2.714 0.009 . 2 . . . . A 106 PHE HB2 . 25979 1
1032 . 1 1 87 87 PHE HB3 H 1 2.507 0.007 . 2 . . . . A 106 PHE HB3 . 25979 1
1033 . 1 1 87 87 PHE HD1 H 1 6.886 0.002 . 3 . . . . A 106 PHE HD1 . 25979 1
1034 . 1 1 87 87 PHE HE1 H 1 6.682 0.003 . 3 . . . . A 106 PHE HE1 . 25979 1
1035 . 1 1 87 87 PHE HZ H 1 5.547 0.008 . 1 . . . . A 106 PHE HZ . 25979 1
1036 . 1 1 87 87 PHE C C 13 174.962 0.000 . 1 . . . . A 106 PHE C . 25979 1
1037 . 1 1 87 87 PHE CA C 13 57.350 0.000 . 1 . . . . A 106 PHE CA . 25979 1
1038 . 1 1 87 87 PHE CB C 13 43.733 0.000 . 1 . . . . A 106 PHE CB . 25979 1
1039 . 1 1 87 87 PHE CD1 C 13 130.619 0.000 . 3 . . . . A 106 PHE CD1 . 25979 1
1040 . 1 1 87 87 PHE CZ C 13 128.977 0.000 . 1 . . . . A 106 PHE CZ . 25979 1
1041 . 1 1 87 87 PHE N N 15 119.662 0.000 . 1 . . . . A 106 PHE N . 25979 1
1042 . 1 1 88 88 PHE H H 1 9.358 0.000 . 1 . . . . A 107 PHE H . 25979 1
1043 . 1 1 88 88 PHE HA H 1 5.854 0.000 . 1 . . . . A 107 PHE HA . 25979 1
1044 . 1 1 88 88 PHE HB2 H 1 3.362 0.000 . 2 . . . . A 107 PHE HB2 . 25979 1
1045 . 1 1 88 88 PHE HB3 H 1 2.739 0.000 . 2 . . . . A 107 PHE HB3 . 25979 1
1046 . 1 1 88 88 PHE HD1 H 1 7.185 0.003 . 3 . . . . A 107 PHE HD1 . 25979 1
1047 . 1 1 88 88 PHE HE1 H 1 7.072 0.004 . 3 . . . . A 107 PHE HE1 . 25979 1
1048 . 1 1 88 88 PHE HZ H 1 7.244 0.002 . 1 . . . . A 107 PHE HZ . 25979 1
1049 . 1 1 88 88 PHE C C 13 174.170 0.000 . 1 . . . . A 107 PHE C . 25979 1
1050 . 1 1 88 88 PHE CA C 13 56.493 0.000 . 1 . . . . A 107 PHE CA . 25979 1
1051 . 1 1 88 88 PHE CB C 13 44.180 0.000 . 1 . . . . A 107 PHE CB . 25979 1
1052 . 1 1 88 88 PHE N N 15 117.084 0.000 . 1 . . . . A 107 PHE N . 25979 1
1053 . 1 1 89 89 TRP H H 1 9.090 0.000 . 1 . . . . A 108 TRP H . 25979 1
1054 . 1 1 89 89 TRP HA H 1 5.863 0.000 . 1 . . . . A 108 TRP HA . 25979 1
1055 . 1 1 89 89 TRP HB2 H 1 3.490 0.007 . 2 . . . . A 108 TRP HB2 . 25979 1
1056 . 1 1 89 89 TRP HB3 H 1 3.279 0.011 . 2 . . . . A 108 TRP HB3 . 25979 1
1057 . 1 1 89 89 TRP HD1 H 1 6.895 0.004 . 1 . . . . A 108 TRP HD1 . 25979 1
1058 . 1 1 89 89 TRP HE1 H 1 10.515 0.000 . 1 . . . . A 108 TRP HE1 . 25979 1
1059 . 1 1 89 89 TRP HE3 H 1 7.704 0.003 . 1 . . . . A 108 TRP HE3 . 25979 1
1060 . 1 1 89 89 TRP HZ2 H 1 7.760 0.002 . 1 . . . . A 108 TRP HZ2 . 25979 1
1061 . 1 1 89 89 TRP HZ3 H 1 7.036 0.002 . 1 . . . . A 108 TRP HZ3 . 25979 1
1062 . 1 1 89 89 TRP HH2 H 1 7.371 0.003 . 1 . . . . A 108 TRP HH2 . 25979 1
1063 . 1 1 89 89 TRP C C 13 175.524 0.000 . 1 . . . . A 108 TRP C . 25979 1
1064 . 1 1 89 89 TRP CA C 13 52.918 0.000 . 1 . . . . A 108 TRP CA . 25979 1
1065 . 1 1 89 89 TRP CB C 13 30.525 0.000 . 1 . . . . A 108 TRP CB . 25979 1
1066 . 1 1 89 89 TRP CD1 C 13 127.472 0.000 . 1 . . . . A 108 TRP CD1 . 25979 1
1067 . 1 1 89 89 TRP CE3 C 13 123.388 0.000 . 1 . . . . A 108 TRP CE3 . 25979 1
1068 . 1 1 89 89 TRP CZ2 C 13 114.142 0.000 . 1 . . . . A 108 TRP CZ2 . 25979 1
1069 . 1 1 89 89 TRP CH2 C 13 124.497 0.000 . 1 . . . . A 108 TRP CH2 . 25979 1
1070 . 1 1 89 89 TRP N N 15 118.256 0.000 . 1 . . . . A 108 TRP N . 25979 1
1071 . 1 1 89 89 TRP NE1 N 15 129.573 0.000 . 1 . . . . A 108 TRP NE1 . 25979 1
1072 . 1 1 90 90 MET H H 1 9.250 0.000 . 1 . . . . A 109 MET H . 25979 1
1073 . 1 1 90 90 MET HA H 1 4.530 0.000 . 1 . . . . A 109 MET HA . 25979 1
1074 . 1 1 90 90 MET HB2 H 1 2.331 0.000 . 2 . . . . A 109 MET HB2 . 25979 1
1075 . 1 1 90 90 MET HB3 H 1 2.143 0.002 . 2 . . . . A 109 MET HB3 . 25979 1
1076 . 1 1 90 90 MET HG2 H 1 2.796 0.000 . 2 . . . . A 109 MET HG2 . 25979 1
1077 . 1 1 90 90 MET HG3 H 1 2.599 0.000 . 2 . . . . A 109 MET HG3 . 25979 1
1078 . 1 1 90 90 MET HE1 H 1 1.390 0.000 . 1 . . . . A 109 MET HE1 . 25979 1
1079 . 1 1 90 90 MET HE2 H 1 1.390 0.000 . 1 . . . . A 109 MET HE2 . 25979 1
1080 . 1 1 90 90 MET HE3 H 1 1.390 0.000 . 1 . . . . A 109 MET HE3 . 25979 1
1081 . 1 1 90 90 MET C C 13 175.999 0.000 . 1 . . . . A 109 MET C . 25979 1
1082 . 1 1 90 90 MET CA C 13 56.493 0.000 . 1 . . . . A 109 MET CA . 25979 1
1083 . 1 1 90 90 MET CB C 13 32.611 0.000 . 1 . . . . A 109 MET CB . 25979 1
1084 . 1 1 90 90 MET CE C 13 16.852 0.000 . 1 . . . . A 109 MET CE . 25979 1
1085 . 1 1 90 90 MET N N 15 120.599 0.000 . 1 . . . . A 109 MET N . 25979 1
1086 . 1 1 91 91 GLN H H 1 8.447 0.000 . 1 . . . . A 110 GLN H . 25979 1
1087 . 1 1 91 91 GLN HA H 1 4.335 0.000 . 1 . . . . A 110 GLN HA . 25979 1
1088 . 1 1 91 91 GLN C C 13 174.775 0.000 . 1 . . . . A 110 GLN C . 25979 1
1089 . 1 1 91 91 GLN CA C 13 53.793 0.000 . 1 . . . . A 110 GLN CA . 25979 1
1090 . 1 1 91 91 GLN CB C 13 29.020 0.000 . 1 . . . . A 110 GLN CB . 25979 1
1091 . 1 1 91 91 GLN N N 15 117.318 0.000 . 1 . . . . A 110 GLN N . 25979 1
1092 . 1 1 92 92 GLU H H 1 6.702 0.000 . 1 . . . . A 111 GLU H . 25979 1
1093 . 1 1 92 92 GLU HA H 1 4.372 0.007 . 1 . . . . A 111 GLU HA . 25979 1
1094 . 1 1 92 92 GLU HB2 H 1 2.652 0.005 . 2 . . . . A 111 GLU HB2 . 25979 1
1095 . 1 1 92 92 GLU HB3 H 1 1.800 0.004 . 2 . . . . A 111 GLU HB3 . 25979 1
1096 . 1 1 92 92 GLU HG2 H 1 2.922 0.006 . 2 . . . . A 111 GLU HG2 . 25979 1
1097 . 1 1 92 92 GLU HG3 H 1 2.835 0.002 . 2 . . . . A 111 GLU HG3 . 25979 1
1098 . 1 1 92 92 GLU C C 13 175.927 0.000 . 1 . . . . A 111 GLU C . 25979 1
1099 . 1 1 92 92 GLU CA C 13 54.283 0.000 . 1 . . . . A 111 GLU CA . 25979 1
1100 . 1 1 92 92 GLU CB C 13 30.350 0.000 . 1 . . . . A 111 GLU CB . 25979 1
1101 . 1 1 92 92 GLU CG C 13 36.124 0.038 . 1 . . . . A 111 GLU CG . 25979 1
1102 . 1 1 92 92 GLU N N 15 119.896 0.000 . 1 . . . . A 111 GLU N . 25979 1
1103 . 1 1 93 93 PRO HA H 1 4.249 0.000 . 1 . . . . A 112 PRO HA . 25979 1
1104 . 1 1 93 93 PRO HB2 H 1 2.323 0.000 . 2 . . . . A 112 PRO HB2 . 25979 1
1105 . 1 1 93 93 PRO HB3 H 1 1.989 0.000 . 2 . . . . A 112 PRO HB3 . 25979 1
1106 . 1 1 93 93 PRO HG2 H 1 2.183 0.000 . 2 . . . . A 112 PRO HG2 . 25979 1
1107 . 1 1 93 93 PRO HG3 H 1 1.896 0.000 . 2 . . . . A 112 PRO HG3 . 25979 1
1108 . 1 1 93 93 PRO HD2 H 1 4.076 0.004 . 2 . . . . A 112 PRO HD2 . 25979 1
1109 . 1 1 93 93 PRO HD3 H 1 3.998 0.002 . 2 . . . . A 112 PRO HD3 . 25979 1
1110 . 1 1 93 93 PRO C C 13 177.295 0.000 . 1 . . . . A 112 PRO C . 25979 1
1111 . 1 1 93 93 PRO CA C 13 65.312 0.000 . 1 . . . . A 112 PRO CA . 25979 1
1112 . 1 1 93 93 PRO CB C 13 33.068 0.000 . 1 . . . . A 112 PRO CB . 25979 1
1113 . 1 1 93 93 PRO CG C 13 27.682 0.000 . 1 . . . . A 112 PRO CG . 25979 1
1114 . 1 1 93 93 PRO CD C 13 48.996 0.000 . 1 . . . . A 112 PRO CD . 25979 1
1115 . 1 1 94 94 LYS H H 1 8.040 0.000 . 1 . . . . A 113 LYS H . 25979 1
1116 . 1 1 94 94 LYS HA H 1 4.779 0.000 . 1 . . . . A 113 LYS HA . 25979 1
1117 . 1 1 94 94 LYS HB2 H 1 2.046 0.000 . 2 . . . . A 113 LYS HB2 . 25979 1
1118 . 1 1 94 94 LYS HB3 H 1 1.914 0.000 . 2 . . . . A 113 LYS HB3 . 25979 1
1119 . 1 1 94 94 LYS HG2 H 1 1.563 0.000 . 2 . . . . A 113 LYS HG2 . 25979 1
1120 . 1 1 94 94 LYS HG3 H 1 1.469 0.000 . 2 . . . . A 113 LYS HG3 . 25979 1
1121 . 1 1 94 94 LYS HD2 H 1 1.757 0.004 . 2 . . . . A 113 LYS HD2 . 25979 1
1122 . 1 1 94 94 LYS HE2 H 1 3.041 0.004 . 2 . . . . A 113 LYS HE2 . 25979 1
1123 . 1 1 94 94 LYS C C 13 177.754 0.000 . 1 . . . . A 113 LYS C . 25979 1
1124 . 1 1 94 94 LYS CA C 13 54.518 0.000 . 1 . . . . A 113 LYS CA . 25979 1
1125 . 1 1 94 94 LYS CB C 13 33.587 0.000 . 1 . . . . A 113 LYS CB . 25979 1
1126 . 1 1 94 94 LYS CG C 13 24.929 0.000 . 1 . . . . A 113 LYS CG . 25979 1
1127 . 1 1 94 94 LYS CD C 13 28.976 0.000 . 1 . . . . A 113 LYS CD . 25979 1
1128 . 1 1 94 94 LYS CE C 13 41.903 0.000 . 1 . . . . A 113 LYS CE . 25979 1
1129 . 1 1 94 94 LYS N N 15 114.272 0.000 . 1 . . . . A 113 LYS N . 25979 1
1130 . 1 1 95 95 THR H H 1 8.680 0.000 . 1 . . . . A 114 THR H . 25979 1
1131 . 1 1 95 95 THR HA H 1 4.331 0.005 . 1 . . . . A 114 THR HA . 25979 1
1132 . 1 1 95 95 THR HB H 1 4.489 0.005 . 1 . . . . A 114 THR HB . 25979 1
1133 . 1 1 95 95 THR HG21 H 1 1.233 0.003 . 1 . . . . A 114 THR HG21 . 25979 1
1134 . 1 1 95 95 THR HG22 H 1 1.233 0.003 . 1 . . . . A 114 THR HG22 . 25979 1
1135 . 1 1 95 95 THR HG23 H 1 1.233 0.003 . 1 . . . . A 114 THR HG23 . 25979 1
1136 . 1 1 95 95 THR C C 13 177.024 0.000 . 1 . . . . A 114 THR C . 25979 1
1137 . 1 1 95 95 THR CA C 13 62.464 0.000 . 1 . . . . A 114 THR CA . 25979 1
1138 . 1 1 95 95 THR CB C 13 69.539 0.000 . 1 . . . . A 114 THR CB . 25979 1
1139 . 1 1 95 95 THR CG2 C 13 20.751 0.000 . 1 . . . . A 114 THR CG2 . 25979 1
1140 . 1 1 95 95 THR N N 15 111.460 0.000 . 1 . . . . A 114 THR N . 25979 1
1141 . 1 1 96 96 ASP H H 1 8.251 0.000 . 1 . . . . A 115 ASP H . 25979 1
1142 . 1 1 96 96 ASP HA H 1 4.286 0.000 . 1 . . . . A 115 ASP HA . 25979 1
1143 . 1 1 96 96 ASP HB2 H 1 2.723 0.002 . 2 . . . . A 115 ASP HB2 . 25979 1
1144 . 1 1 96 96 ASP HB3 H 1 2.659 0.001 . 2 . . . . A 115 ASP HB3 . 25979 1
1145 . 1 1 96 96 ASP C C 13 176.733 0.000 . 1 . . . . A 115 ASP C . 25979 1
1146 . 1 1 96 96 ASP CA C 13 56.519 0.000 . 1 . . . . A 115 ASP CA . 25979 1
1147 . 1 1 96 96 ASP CB C 13 40.213 0.000 . 1 . . . . A 115 ASP CB . 25979 1
1148 . 1 1 96 96 ASP N N 15 119.662 0.000 . 1 . . . . A 115 ASP N . 25979 1
1149 . 1 1 97 97 GLN H H 1 8.231 0.000 . 1 . . . . A 116 GLN H . 25979 1
1150 . 1 1 97 97 GLN HA H 1 4.417 0.000 . 1 . . . . A 116 GLN HA . 25979 1
1151 . 1 1 97 97 GLN HB2 H 1 1.734 0.000 . 2 . . . . A 116 GLN HB2 . 25979 1
1152 . 1 1 97 97 GLN HB3 H 1 1.628 0.000 . 2 . . . . A 116 GLN HB3 . 25979 1
1153 . 1 1 97 97 GLN HG2 H 1 2.178 0.000 . 2 . . . . A 116 GLN HG2 . 25979 1
1154 . 1 1 97 97 GLN HG3 H 1 2.111 0.000 . 2 . . . . A 116 GLN HG3 . 25979 1
1155 . 1 1 97 97 GLN HE21 H 1 6.774 0.007 . 2 . . . . A 116 GLN HE21 . 25979 1
1156 . 1 1 97 97 GLN HE22 H 1 7.481 0.003 . 2 . . . . A 116 GLN HE22 . 25979 1
1157 . 1 1 97 97 GLN C C 13 175.153 0.000 . 1 . . . . A 116 GLN C . 25979 1
1158 . 1 1 97 97 GLN CA C 13 55.022 0.000 . 1 . . . . A 116 GLN CA . 25979 1
1159 . 1 1 97 97 GLN CB C 13 29.398 0.000 . 1 . . . . A 116 GLN CB . 25979 1
1160 . 1 1 97 97 GLN CG C 13 34.422 0.000 . 1 . . . . A 116 GLN CG . 25979 1
1161 . 1 1 97 97 GLN N N 15 115.209 0.000 . 1 . . . . A 116 GLN N . 25979 1
1162 . 1 1 97 97 GLN NE2 N 15 112.514 0.000 . 1 . . . . A 116 GLN NE2 . 25979 1
1163 . 1 1 98 98 ASP H H 1 7.638 0.002 . 1 . . . . A 117 ASP H . 25979 1
1164 . 1 1 98 98 ASP HA H 1 3.987 0.001 . 1 . . . . A 117 ASP HA . 25979 1
1165 . 1 1 98 98 ASP HB2 H 1 3.004 0.001 . 2 . . . . A 117 ASP HB2 . 25979 1
1166 . 1 1 98 98 ASP HB3 H 1 2.838 0.002 . 2 . . . . A 117 ASP HB3 . 25979 1
1167 . 1 1 98 98 ASP C C 13 177.381 0.000 . 1 . . . . A 117 ASP C . 25979 1
1168 . 1 1 98 98 ASP CA C 13 58.820 0.000 . 1 . . . . A 117 ASP CA . 25979 1
1169 . 1 1 98 98 ASP CB C 13 38.989 0.000 . 1 . . . . A 117 ASP CB . 25979 1
1170 . 1 1 98 98 ASP N N 15 122.471 0.009 . 1 . . . . A 117 ASP N . 25979 1
1171 . 1 1 99 99 GLU H H 1 8.329 0.000 . 1 . . . . A 118 GLU H . 25979 1
1172 . 1 1 99 99 GLU HA H 1 4.079 0.000 . 1 . . . . A 118 GLU HA . 25979 1
1173 . 1 1 99 99 GLU HB2 H 1 2.059 0.008 . 2 . . . . A 118 GLU HB2 . 25979 1
1174 . 1 1 99 99 GLU HG2 H 1 2.417 0.000 . 2 . . . . A 118 GLU HG2 . 25979 1
1175 . 1 1 99 99 GLU HG3 H 1 2.320 0.000 . 2 . . . . A 118 GLU HG3 . 25979 1
1176 . 1 1 99 99 GLU C C 13 179.239 0.000 . 1 . . . . A 118 GLU C . 25979 1
1177 . 1 1 99 99 GLU CA C 13 59.229 0.000 . 1 . . . . A 118 GLU CA . 25979 1
1178 . 1 1 99 99 GLU CB C 13 28.885 0.000 . 1 . . . . A 118 GLU CB . 25979 1
1179 . 1 1 99 99 GLU CG C 13 36.831 0.000 . 1 . . . . A 118 GLU CG . 25979 1
1180 . 1 1 99 99 GLU N N 15 116.849 0.000 . 1 . . . . A 118 GLU N . 25979 1
1181 . 1 1 100 100 GLU H H 1 7.932 0.000 . 1 . . . . A 119 GLU H . 25979 1
1182 . 1 1 100 100 GLU HA H 1 4.171 0.007 . 1 . . . . A 119 GLU HA . 25979 1
1183 . 1 1 100 100 GLU HB2 H 1 1.988 0.001 . 2 . . . . A 119 GLU HB2 . 25979 1
1184 . 1 1 100 100 GLU HB3 H 1 1.746 0.006 . 2 . . . . A 119 GLU HB3 . 25979 1
1185 . 1 1 100 100 GLU HG2 H 1 2.217 0.002 . 2 . . . . A 119 GLU HG2 . 25979 1
1186 . 1 1 100 100 GLU HG3 H 1 2.158 0.010 . 2 . . . . A 119 GLU HG3 . 25979 1
1187 . 1 1 100 100 GLU C C 13 178.332 0.000 . 1 . . . . A 119 GLU C . 25979 1
1188 . 1 1 100 100 GLU CA C 13 58.740 0.000 . 1 . . . . A 119 GLU CA . 25979 1
1189 . 1 1 100 100 GLU CB C 13 28.842 0.000 . 1 . . . . A 119 GLU CB . 25979 1
1190 . 1 1 100 100 GLU CG C 13 35.096 0.000 . 1 . . . . A 119 GLU CG . 25979 1
1191 . 1 1 100 100 GLU N N 15 122.942 0.000 . 1 . . . . A 119 GLU N . 25979 1
1192 . 1 1 101 101 HIS H H 1 8.594 0.000 . 1 . . . . A 120 HIS H . 25979 1
1193 . 1 1 101 101 HIS HA H 1 4.238 0.001 . 1 . . . . A 120 HIS HA . 25979 1
1194 . 1 1 101 101 HIS HD2 H 1 6.585 0.002 . 1 . . . . A 120 HIS HD2 . 25979 1
1195 . 1 1 101 101 HIS HE1 H 1 7.615 0.002 . 1 . . . . A 120 HIS HE1 . 25979 1
1196 . 1 1 101 101 HIS C C 13 176.575 0.000 . 1 . . . . A 120 HIS C . 25979 1
1197 . 1 1 101 101 HIS CA C 13 58.815 0.000 . 1 . . . . A 120 HIS CA . 25979 1
1198 . 1 1 101 101 HIS CB C 13 28.397 0.000 . 1 . . . . A 120 HIS CB . 25979 1
1199 . 1 1 101 101 HIS CD2 C 13 120.475 0.000 . 1 . . . . A 120 HIS CD2 . 25979 1
1200 . 1 1 101 101 HIS CE1 C 13 138.017 0.000 . 1 . . . . A 120 HIS CE1 . 25979 1
1201 . 1 1 101 101 HIS N N 15 118.734 0.000 . 1 . . . . A 120 HIS N . 25979 1
1202 . 1 1 102 102 CYS H H 1 7.936 0.000 . 1 . . . . A 121 CYS H . 25979 1
1203 . 1 1 102 102 CYS HA H 1 3.988 0.000 . 1 . . . . A 121 CYS HA . 25979 1
1204 . 1 1 102 102 CYS HB2 H 1 3.240 0.000 . 2 . . . . A 121 CYS HB2 . 25979 1
1205 . 1 1 102 102 CYS HB3 H 1 2.610 0.000 . 2 . . . . A 121 CYS HB3 . 25979 1
1206 . 1 1 102 102 CYS C C 13 176.503 0.000 . 1 . . . . A 121 CYS C . 25979 1
1207 . 1 1 102 102 CYS CA C 13 62.110 0.000 . 1 . . . . A 121 CYS CA . 25979 1
1208 . 1 1 102 102 CYS CB C 13 26.439 0.000 . 1 . . . . A 121 CYS CB . 25979 1
1209 . 1 1 102 102 CYS N N 15 117.562 0.000 . 1 . . . . A 121 CYS N . 25979 1
1210 . 1 1 103 103 ARG H H 1 8.482 0.000 . 1 . . . . A 122 ARG H . 25979 1
1211 . 1 1 103 103 ARG HA H 1 4.181 0.000 . 1 . . . . A 122 ARG HA . 25979 1
1212 . 1 1 103 103 ARG HE H 1 7.725 0.000 . 1 . . . . A 122 ARG HE . 25979 1
1213 . 1 1 103 103 ARG HB2 H 1 2.023 0.000 . 2 . . . . A 122 ARG HB2 . 25979 1
1214 . 1 1 103 103 ARG HG2 H 1 1.777 0.000 . 2 . . . . A 122 ARG HG2 . 25979 1
1215 . 1 1 103 103 ARG HG3 H 1 1.576 0.000 . 2 . . . . A 122 ARG HG3 . 25979 1
1216 . 1 1 103 103 ARG HD2 H 1 3.182 0.000 . 2 . . . . A 122 ARG HD2 . 25979 1
1217 . 1 1 103 103 ARG HD3 H 1 3.282 0.000 . 2 . . . . A 122 ARG HD3 . 25979 1
1218 . 1 1 103 103 ARG C C 13 179.642 0.000 . 1 . . . . A 122 ARG C . 25979 1
1219 . 1 1 103 103 ARG CA C 13 60.036 0.000 . 1 . . . . A 122 ARG CA . 25979 1
1220 . 1 1 103 103 ARG CB C 13 30.010 0.000 . 1 . . . . A 122 ARG CB . 25979 1
1221 . 1 1 103 103 ARG CG C 13 27.635 0.000 . 1 . . . . A 122 ARG CG . 25979 1
1222 . 1 1 103 103 ARG CD C 13 42.887 0.000 . 1 . . . . A 122 ARG CD . 25979 1
1223 . 1 1 103 103 ARG N N 15 120.609 0.000 . 1 . . . . A 122 ARG N . 25979 1
1224 . 1 1 103 103 ARG NE N 15 83.469 0.000 . 1 . . . . A 122 ARG NE . 25979 1
1225 . 1 1 104 104 LYS H H 1 8.643 0.000 . 1 . . . . A 123 LYS H . 25979 1
1226 . 1 1 104 104 LYS HA H 1 3.818 0.000 . 1 . . . . A 123 LYS HA . 25979 1
1227 . 1 1 104 104 LYS HB2 H 1 2.157 0.000 . 2 . . . . A 123 LYS HB2 . 25979 1
1228 . 1 1 104 104 LYS HB3 H 1 1.755 0.004 . 2 . . . . A 123 LYS HB3 . 25979 1
1229 . 1 1 104 104 LYS HG2 H 1 1.792 0.007 . 2 . . . . A 123 LYS HG2 . 25979 1
1230 . 1 1 104 104 LYS HG3 H 1 1.477 0.009 . 2 . . . . A 123 LYS HG3 . 25979 1
1231 . 1 1 104 104 LYS HD2 H 1 1.906 0.004 . 2 . . . . A 123 LYS HD2 . 25979 1
1232 . 1 1 104 104 LYS HD3 H 1 1.732 0.005 . 2 . . . . A 123 LYS HD3 . 25979 1
1233 . 1 1 104 104 LYS HE2 H 1 3.049 0.000 . 2 . . . . A 123 LYS HE2 . 25979 1
1234 . 1 1 104 104 LYS C C 13 178.015 0.000 . 1 . . . . A 123 LYS C . 25979 1
1235 . 1 1 104 104 LYS CA C 13 59.377 0.000 . 1 . . . . A 123 LYS CA . 25979 1
1236 . 1 1 104 104 LYS CB C 13 32.696 0.000 . 1 . . . . A 123 LYS CB . 25979 1
1237 . 1 1 104 104 LYS CG C 13 26.211 0.056 . 1 . . . . A 123 LYS CG . 25979 1
1238 . 1 1 104 104 LYS CD C 13 29.439 0.000 . 1 . . . . A 123 LYS CD . 25979 1
1239 . 1 1 104 104 LYS CE C 13 42.395 0.000 . 1 . . . . A 123 LYS CE . 25979 1
1240 . 1 1 104 104 LYS N N 15 118.959 0.000 . 1 . . . . A 123 LYS N . 25979 1
1241 . 1 1 105 105 VAL H H 1 8.167 0.000 . 1 . . . . A 124 VAL H . 25979 1
1242 . 1 1 105 105 VAL HA H 1 3.435 0.000 . 1 . . . . A 124 VAL HA . 25979 1
1243 . 1 1 105 105 VAL HB H 1 2.057 0.000 . 1 . . . . A 124 VAL HB . 25979 1
1244 . 1 1 105 105 VAL HG11 H 1 0.738 0.004 . 2 . . . . A 124 VAL HG11 . 25979 1
1245 . 1 1 105 105 VAL HG12 H 1 0.738 0.004 . 2 . . . . A 124 VAL HG12 . 25979 1
1246 . 1 1 105 105 VAL HG13 H 1 0.738 0.004 . 2 . . . . A 124 VAL HG13 . 25979 1
1247 . 1 1 105 105 VAL HG21 H 1 0.340 0.000 . 2 . . . . A 124 VAL HG21 . 25979 1
1248 . 1 1 105 105 VAL HG22 H 1 0.340 0.000 . 2 . . . . A 124 VAL HG22 . 25979 1
1249 . 1 1 105 105 VAL HG23 H 1 0.340 0.000 . 2 . . . . A 124 VAL HG23 . 25979 1
1250 . 1 1 105 105 VAL C C 13 176.834 0.000 . 1 . . . . A 124 VAL C . 25979 1
1251 . 1 1 105 105 VAL CA C 13 67.267 0.000 . 1 . . . . A 124 VAL CA . 25979 1
1252 . 1 1 105 105 VAL CB C 13 31.048 0.000 . 1 . . . . A 124 VAL CB . 25979 1
1253 . 1 1 105 105 VAL CG1 C 13 22.678 0.000 . 2 . . . . A 124 VAL CG1 . 25979 1
1254 . 1 1 105 105 VAL CG2 C 13 21.381 0.000 . 2 . . . . A 124 VAL CG2 . 25979 1
1255 . 1 1 105 105 VAL N N 15 118.021 0.000 . 1 . . . . A 124 VAL N . 25979 1
1256 . 1 1 106 106 ASN H H 1 7.511 0.000 . 1 . . . . A 125 ASN H . 25979 1
1257 . 1 1 106 106 ASN HA H 1 4.233 0.000 . 1 . . . . A 125 ASN HA . 25979 1
1258 . 1 1 106 106 ASN HB2 H 1 2.892 0.000 . 2 . . . . A 125 ASN HB2 . 25979 1
1259 . 1 1 106 106 ASN HB3 H 1 2.813 0.000 . 2 . . . . A 125 ASN HB3 . 25979 1
1260 . 1 1 106 106 ASN HD21 H 1 8.933 0.000 . 2 . . . . A 125 ASN HD21 . 25979 1
1261 . 1 1 106 106 ASN HD22 H 1 7.446 0.000 . 2 . . . . A 125 ASN HD22 . 25979 1
1262 . 1 1 106 106 ASN C C 13 177.122 0.000 . 1 . . . . A 125 ASN C . 25979 1
1263 . 1 1 106 106 ASN CA C 13 58.116 0.000 . 1 . . . . A 125 ASN CA . 25979 1
1264 . 1 1 106 106 ASN CB C 13 39.892 0.000 . 1 . . . . A 125 ASN CB . 25979 1
1265 . 1 1 106 106 ASN N N 15 113.569 0.000 . 1 . . . . A 125 ASN N . 25979 1
1266 . 1 1 106 106 ASN ND2 N 15 120.029 0.000 . 1 . . . . A 125 ASN ND2 . 25979 1
1267 . 1 1 107 107 GLU H H 1 8.431 0.000 . 1 . . . . A 126 GLU H . 25979 1
1268 . 1 1 107 107 GLU HA H 1 3.989 0.000 . 1 . . . . A 126 GLU HA . 25979 1
1269 . 1 1 107 107 GLU HB2 H 1 1.905 0.000 . 2 . . . . A 126 GLU HB2 . 25979 1
1270 . 1 1 107 107 GLU HB3 H 1 1.725 0.005 . 2 . . . . A 126 GLU HB3 . 25979 1
1271 . 1 1 107 107 GLU HG2 H 1 2.155 0.004 . 2 . . . . A 126 GLU HG2 . 25979 1
1272 . 1 1 107 107 GLU HG3 H 1 1.918 0.004 . 2 . . . . A 126 GLU HG3 . 25979 1
1273 . 1 1 107 107 GLU C C 13 178.346 0.000 . 1 . . . . A 126 GLU C . 25979 1
1274 . 1 1 107 107 GLU CA C 13 59.359 0.000 . 1 . . . . A 126 GLU CA . 25979 1
1275 . 1 1 107 107 GLU CB C 13 29.333 0.000 . 1 . . . . A 126 GLU CB . 25979 1
1276 . 1 1 107 107 GLU CG C 13 35.413 0.000 . 1 . . . . A 126 GLU CG . 25979 1
1277 . 1 1 107 107 GLU N N 15 119.662 0.000 . 1 . . . . A 126 GLU N . 25979 1
1278 . 1 1 108 108 TYR H H 1 8.262 0.000 . 1 . . . . A 127 TYR H . 25979 1
1279 . 1 1 108 108 TYR HA H 1 4.389 0.000 . 1 . . . . A 127 TYR HA . 25979 1
1280 . 1 1 108 108 TYR HB2 H 1 2.916 0.000 . 2 . . . . A 127 TYR HB2 . 25979 1
1281 . 1 1 108 108 TYR HB3 H 1 2.744 0.000 . 2 . . . . A 127 TYR HB3 . 25979 1
1282 . 1 1 108 108 TYR HD1 H 1 6.991 0.002 . 3 . . . . A 127 TYR HD1 . 25979 1
1283 . 1 1 108 108 TYR HE1 H 1 6.755 0.001 . 3 . . . . A 127 TYR HE1 . 25979 1
1284 . 1 1 108 108 TYR C C 13 176.244 0.000 . 1 . . . . A 127 TYR C . 25979 1
1285 . 1 1 108 108 TYR CA C 13 60.775 0.000 . 1 . . . . A 127 TYR CA . 25979 1
1286 . 1 1 108 108 TYR CB C 13 37.750 0.000 . 1 . . . . A 127 TYR CB . 25979 1
1287 . 1 1 108 108 TYR CD1 C 13 132.339 0.000 . 3 . . . . A 127 TYR CD1 . 25979 1
1288 . 1 1 108 108 TYR CE1 C 13 118.230 0.000 . 3 . . . . A 127 TYR CE1 . 25979 1
1289 . 1 1 108 108 TYR N N 15 115.912 0.000 . 1 . . . . A 127 TYR N . 25979 1
1290 . 1 1 109 109 LEU H H 1 7.810 0.000 . 1 . . . . A 128 LEU H . 25979 1
1291 . 1 1 109 109 LEU HA H 1 4.069 0.000 . 1 . . . . A 128 LEU HA . 25979 1
1292 . 1 1 109 109 LEU HB2 H 1 1.626 0.000 . 2 . . . . A 128 LEU HB2 . 25979 1
1293 . 1 1 109 109 LEU HB3 H 1 1.408 0.000 . 2 . . . . A 128 LEU HB3 . 25979 1
1294 . 1 1 109 109 LEU HG H 1 2.205 0.004 . 1 . . . . A 128 LEU HG . 25979 1
1295 . 1 1 109 109 LEU HD11 H 1 0.648 0.000 . 2 . . . . A 128 LEU HD11 . 25979 1
1296 . 1 1 109 109 LEU HD12 H 1 0.648 0.000 . 2 . . . . A 128 LEU HD12 . 25979 1
1297 . 1 1 109 109 LEU HD13 H 1 0.648 0.000 . 2 . . . . A 128 LEU HD13 . 25979 1
1298 . 1 1 109 109 LEU HD21 H 1 0.506 0.000 . 2 . . . . A 128 LEU HD21 . 25979 1
1299 . 1 1 109 109 LEU HD22 H 1 0.506 0.000 . 2 . . . . A 128 LEU HD22 . 25979 1
1300 . 1 1 109 109 LEU HD23 H 1 0.506 0.000 . 2 . . . . A 128 LEU HD23 . 25979 1
1301 . 1 1 109 109 LEU C C 13 178.822 0.000 . 1 . . . . A 128 LEU C . 25979 1
1302 . 1 1 109 109 LEU CA C 13 57.099 0.000 . 1 . . . . A 128 LEU CA . 25979 1
1303 . 1 1 109 109 LEU CB C 13 40.779 0.000 . 1 . . . . A 128 LEU CB . 25979 1
1304 . 1 1 109 109 LEU CG C 13 25.585 0.000 . 1 . . . . A 128 LEU CG . 25979 1
1305 . 1 1 109 109 LEU CD1 C 13 22.445 0.000 . 2 . . . . A 128 LEU CD1 . 25979 1
1306 . 1 1 109 109 LEU CD2 C 13 25.913 0.000 . 2 . . . . A 128 LEU CD2 . 25979 1
1307 . 1 1 109 109 LEU N N 15 111.225 0.000 . 1 . . . . A 128 LEU N . 25979 1
1308 . 1 1 110 110 ASN H H 1 7.426 0.000 . 1 . . . . A 129 ASN H . 25979 1
1309 . 1 1 110 110 ASN HA H 1 4.990 0.000 . 1 . . . . A 129 ASN HA . 25979 1
1310 . 1 1 110 110 ASN HB2 H 1 2.885 0.000 . 2 . . . . A 129 ASN HB2 . 25979 1
1311 . 1 1 110 110 ASN HD21 H 1 7.161 0.000 . 2 . . . . A 129 ASN HD21 . 25979 1
1312 . 1 1 110 110 ASN HD22 H 1 7.673 0.003 . 2 . . . . A 129 ASN HD22 . 25979 1
1313 . 1 1 110 110 ASN C C 13 174.617 0.000 . 1 . . . . A 129 ASN C . 25979 1
1314 . 1 1 110 110 ASN CA C 13 54.362 0.000 . 1 . . . . A 129 ASN CA . 25979 1
1315 . 1 1 110 110 ASN CB C 13 40.151 0.000 . 1 . . . . A 129 ASN CB . 25979 1
1316 . 1 1 110 110 ASN N N 15 110.757 0.000 . 1 . . . . A 129 ASN N . 25979 1
1317 . 1 1 110 110 ASN ND2 N 15 114.951 0.000 . 1 . . . . A 129 ASN ND2 . 25979 1
1318 . 1 1 111 111 ASN H H 1 8.374 0.000 . 1 . . . . A 130 ASN H . 25979 1
1319 . 1 1 111 111 ASN HA H 1 5.086 0.000 . 1 . . . . A 130 ASN HA . 25979 1
1320 . 1 1 111 111 ASN HB2 H 1 2.820 0.008 . 2 . . . . A 130 ASN HB2 . 25979 1
1321 . 1 1 111 111 ASN HB3 H 1 2.694 0.034 . 2 . . . . A 130 ASN HB3 . 25979 1
1322 . 1 1 111 111 ASN HD21 H 1 6.820 0.003 . 2 . . . . A 130 ASN HD21 . 25979 1
1323 . 1 1 111 111 ASN HD22 H 1 7.608 0.002 . 2 . . . . A 130 ASN HD22 . 25979 1
1324 . 1 1 111 111 ASN C C 13 170.484 0.000 . 1 . . . . A 130 ASN C . 25979 1
1325 . 1 1 111 111 ASN CA C 13 51.671 0.000 . 1 . . . . A 130 ASN CA . 25979 1
1326 . 1 1 111 111 ASN CB C 13 38.975 0.000 . 1 . . . . A 130 ASN CB . 25979 1
1327 . 1 1 111 111 ASN N N 15 119.896 0.000 . 1 . . . . A 130 ASN N . 25979 1
1328 . 1 1 111 111 ASN ND2 N 15 112.717 0.000 . 1 . . . . A 130 ASN ND2 . 25979 1
1329 . 1 1 112 112 PRO HA H 1 4.734 0.004 . 1 . . . . A 131 PRO HA . 25979 1
1330 . 1 1 112 112 PRO HB2 H 1 2.599 0.007 . 2 . . . . A 131 PRO HB2 . 25979 1
1331 . 1 1 112 112 PRO HB3 H 1 1.919 0.007 . 2 . . . . A 131 PRO HB3 . 25979 1
1332 . 1 1 112 112 PRO HG2 H 1 2.111 0.008 . 2 . . . . A 131 PRO HG2 . 25979 1
1333 . 1 1 112 112 PRO HG3 H 1 2.027 0.006 . 2 . . . . A 131 PRO HG3 . 25979 1
1334 . 1 1 112 112 PRO HD2 H 1 3.576 0.005 . 2 . . . . A 131 PRO HD2 . 25979 1
1335 . 1 1 112 112 PRO HD3 H 1 3.336 0.005 . 2 . . . . A 131 PRO HD3 . 25979 1
1336 . 1 1 112 112 PRO CA C 13 61.682 0.000 . 1 . . . . A 131 PRO CA . 25979 1
1337 . 1 1 112 112 PRO CB C 13 30.833 0.000 . 1 . . . . A 131 PRO CB . 25979 1
1338 . 1 1 112 112 PRO CG C 13 27.225 0.000 . 1 . . . . A 131 PRO CG . 25979 1
1339 . 1 1 112 112 PRO CD C 13 49.931 0.016 . 1 . . . . A 131 PRO CD . 25979 1
1340 . 1 1 113 113 PRO HA H 1 4.492 0.005 . 1 . . . . A 132 PRO HA . 25979 1
1341 . 1 1 113 113 PRO HB2 H 1 2.312 0.006 . 2 . . . . A 132 PRO HB2 . 25979 1
1342 . 1 1 113 113 PRO HB3 H 1 2.063 0.006 . 2 . . . . A 132 PRO HB3 . 25979 1
1343 . 1 1 113 113 PRO HG2 H 1 2.083 0.005 . 2 . . . . A 132 PRO HG2 . 25979 1
1344 . 1 1 113 113 PRO HG3 H 1 2.028 0.004 . 2 . . . . A 132 PRO HG3 . 25979 1
1345 . 1 1 113 113 PRO HD2 H 1 3.850 0.005 . 2 . . . . A 132 PRO HD2 . 25979 1
1346 . 1 1 113 113 PRO HD3 H 1 3.525 0.005 . 2 . . . . A 132 PRO HD3 . 25979 1
1347 . 1 1 113 113 PRO C C 13 176.532 0.000 . 1 . . . . A 132 PRO C . 25979 1
1348 . 1 1 113 113 PRO CA C 13 62.419 0.000 . 1 . . . . A 132 PRO CA . 25979 1
1349 . 1 1 113 113 PRO CB C 13 31.571 0.000 . 1 . . . . A 132 PRO CB . 25979 1
1350 . 1 1 113 113 PRO CG C 13 27.682 0.000 . 1 . . . . A 132 PRO CG . 25979 1
1351 . 1 1 113 113 PRO CD C 13 50.203 0.000 . 1 . . . . A 132 PRO CD . 25979 1
stop_
save_
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# Assigned chemical shift lists #
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# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2
_Assigned_chem_shift_list.Entry_ID 25979
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
2 '3D HNCACB' 1 $sample_1 isotropic 25979 2
3 '3D CBCA(CO)NH' 1 $sample_1 isotropic 25979 2
4 '3D HNCO' 1 $sample_1 isotropic 25979 2
5 '3D 1H-15N NOESY' 1 $sample_1 isotropic 25979 2
6 '3D 1H-13C NOESY aliphatic' 2 $sample_2 isotropic 25979 2
9 '3D HN(CA)CO' 1 $sample_1 isotropic 25979 2
10 '3D half-filtered NOESY' 2 $sample_2 isotropic 25979 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 . 2 2 1 1 GLN HA H 1 4.459 0.003 . 1 . . . . B 940 GLN HA . 25979 2
2 . 2 2 1 1 GLN HB2 H 1 2.200 0.006 . 2 . . . . B 940 GLN HB2 . 25979 2
3 . 2 2 1 1 GLN HB3 H 1 2.042 0.003 . 2 . . . . B 940 GLN HB3 . 25979 2
4 . 2 2 1 1 GLN HG2 H 1 2.429 0.008 . 2 . . . . B 940 GLN HG2 . 25979 2
5 . 2 2 1 1 GLN HE21 H 1 7.643 0.000 . 2 . . . . B 940 GLN HE21 . 25979 2
6 . 2 2 1 1 GLN HE22 H 1 6.894 0.000 . 2 . . . . B 940 GLN HE22 . 25979 2
7 . 2 2 1 1 GLN CA C 13 55.434 0.000 . 1 . . . . B 940 GLN CA . 25979 2
8 . 2 2 1 1 GLN CB C 13 29.708 0.000 . 1 . . . . B 940 GLN CB . 25979 2
9 . 2 2 1 1 GLN CG C 13 33.371 0.000 . 1 . . . . B 940 GLN CG . 25979 2
10 . 2 2 1 1 GLN N N 15 121.776 0.000 . 1 . . . . B 940 GLN N . 25979 2
11 . 2 2 1 1 GLN NE2 N 15 113.274 0.000 . 1 . . . . B 940 GLN NE2 . 25979 2
12 . 2 2 2 2 GLU H H 1 8.441 0.001 . 1 . . . . B 941 GLU H . 25979 2
13 . 2 2 2 2 GLU HA H 1 4.266 0.007 . 1 . . . . B 941 GLU HA . 25979 2
14 . 2 2 2 2 GLU HB2 H 1 2.225 0.008 . 2 . . . . B 941 GLU HB2 . 25979 2
15 . 2 2 2 2 GLU HB3 H 1 1.812 0.002 . 2 . . . . B 941 GLU HB3 . 25979 2
16 . 2 2 2 2 GLU HG2 H 1 2.568 0.004 . 2 . . . . B 941 GLU HG2 . 25979 2
17 . 2 2 2 2 GLU HG3 H 1 2.472 0.003 . 2 . . . . B 941 GLU HG3 . 25979 2
18 . 2 2 2 2 GLU CA C 13 55.317 0.000 . 1 . . . . B 941 GLU CA . 25979 2
19 . 2 2 2 2 GLU CB C 13 29.155 0.018 . 1 . . . . B 941 GLU CB . 25979 2
20 . 2 2 2 2 GLU CG C 13 36.462 0.000 . 1 . . . . B 941 GLU CG . 25979 2
21 . 2 2 2 2 GLU N N 15 121.990 0.000 . 1 . . . . B 941 GLU N . 25979 2
22 . 2 2 3 3 PRO HA H 1 4.574 0.000 . 1 . . . . B 942 PRO HA . 25979 2
23 . 2 2 3 3 PRO HB2 H 1 2.559 0.006 . 2 . . . . B 942 PRO HB2 . 25979 2
24 . 2 2 3 3 PRO HB3 H 1 2.328 0.005 . 2 . . . . B 942 PRO HB3 . 25979 2
25 . 2 2 3 3 PRO HG2 H 1 2.179 0.005 . 2 . . . . B 942 PRO HG2 . 25979 2
26 . 2 2 3 3 PRO HG3 H 1 2.101 0.001 . 2 . . . . B 942 PRO HG3 . 25979 2
27 . 2 2 3 3 PRO HD2 H 1 3.641 0.007 . 2 . . . . B 942 PRO HD2 . 25979 2
28 . 2 2 3 3 PRO HD3 H 1 3.545 0.006 . 2 . . . . B 942 PRO HD3 . 25979 2
29 . 2 2 3 3 PRO C C 13 176.045 0.000 . 1 . . . . B 942 PRO C . 25979 2
30 . 2 2 3 3 PRO CA C 13 62.888 0.000 . 1 . . . . B 942 PRO CA . 25979 2
31 . 2 2 3 3 PRO CB C 13 32.527 0.000 . 1 . . . . B 942 PRO CB . 25979 2
32 . 2 2 3 3 PRO CG C 13 28.030 0.000 . 1 . . . . B 942 PRO CG . 25979 2
33 . 2 2 3 3 PRO CD C 13 50.539 0.000 . 1 . . . . B 942 PRO CD . 25979 2
34 . 2 2 4 4 GLU H H 1 8.360 0.000 . 1 . . . . B 943 GLU H . 25979 2
35 . 2 2 4 4 GLU HA H 1 4.644 0.010 . 1 . . . . B 943 GLU HA . 25979 2
36 . 2 2 4 4 GLU HB2 H 1 2.120 0.004 . 2 . . . . B 943 GLU HB2 . 25979 2
37 . 2 2 4 4 GLU HB3 H 1 1.782 0.012 . 2 . . . . B 943 GLU HB3 . 25979 2
38 . 2 2 4 4 GLU HG2 H 1 2.454 0.003 . 2 . . . . B 943 GLU HG2 . 25979 2
39 . 2 2 4 4 GLU HG3 H 1 2.389 0.005 . 2 . . . . B 943 GLU HG3 . 25979 2
40 . 2 2 4 4 GLU C C 13 173.222 0.000 . 1 . . . . B 943 GLU C . 25979 2
41 . 2 2 4 4 GLU CA C 13 54.250 0.000 . 1 . . . . B 943 GLU CA . 25979 2
42 . 2 2 4 4 GLU CB C 13 28.874 0.000 . 1 . . . . B 943 GLU CB . 25979 2
43 . 2 2 4 4 GLU CG C 13 36.181 0.048 . 1 . . . . B 943 GLU CG . 25979 2
44 . 2 2 4 4 GLU N N 15 120.409 0.000 . 1 . . . . B 943 GLU N . 25979 2
45 . 2 2 5 5 PRO HA H 1 2.746 0.000 . 1 . . . . B 944 PRO HA . 25979 2
46 . 2 2 5 5 PRO HB2 H 1 1.374 0.004 . 2 . . . . B 944 PRO HB2 . 25979 2
47 . 2 2 5 5 PRO HB3 H 1 1.213 0.054 . 2 . . . . B 944 PRO HB3 . 25979 2
48 . 2 2 5 5 PRO HG2 H 1 2.075 0.000 . 2 . . . . B 944 PRO HG2 . 25979 2
49 . 2 2 5 5 PRO HG3 H 1 2.016 0.000 . 2 . . . . B 944 PRO HG3 . 25979 2
50 . 2 2 5 5 PRO HD2 H 1 3.969 0.003 . 2 . . . . B 944 PRO HD2 . 25979 2
51 . 2 2 5 5 PRO HD3 H 1 3.651 0.005 . 2 . . . . B 944 PRO HD3 . 25979 2
52 . 2 2 5 5 PRO CA C 13 60.624 0.000 . 1 . . . . B 944 PRO CA . 25979 2
53 . 2 2 5 5 PRO CB C 13 30.027 0.000 . 1 . . . . B 944 PRO CB . 25979 2
54 . 2 2 5 5 PRO CG C 13 27.187 0.000 . 1 . . . . B 944 PRO CG . 25979 2
55 . 2 2 5 5 PRO CD C 13 49.972 0.004 . 1 . . . . B 944 PRO CD . 25979 2
56 . 2 2 6 6 PRO HA H 1 4.256 0.006 . 1 . . . . B 945 PRO HA . 25979 2
57 . 2 2 6 6 PRO HB2 H 1 1.936 0.001 . 2 . . . . B 945 PRO HB2 . 25979 2
58 . 2 2 6 6 PRO HB3 H 1 1.655 0.009 . 2 . . . . B 945 PRO HB3 . 25979 2
59 . 2 2 6 6 PRO HG2 H 1 1.649 0.005 . 2 . . . . B 945 PRO HG2 . 25979 2
60 . 2 2 6 6 PRO HG3 H 1 1.359 0.000 . 2 . . . . B 945 PRO HG3 . 25979 2
61 . 2 2 6 6 PRO HD2 H 1 2.743 0.000 . 2 . . . . B 945 PRO HD2 . 25979 2
62 . 2 2 6 6 PRO HD3 H 1 1.768 0.000 . 2 . . . . B 945 PRO HD3 . 25979 2
63 . 2 2 6 6 PRO C C 13 175.464 0.000 . 1 . . . . B 945 PRO C . 25979 2
64 . 2 2 6 6 PRO CA C 13 61.220 0.000 . 1 . . . . B 945 PRO CA . 25979 2
65 . 2 2 6 6 PRO CB C 13 32.299 0.000 . 1 . . . . B 945 PRO CB . 25979 2
66 . 2 2 6 6 PRO CG C 13 30.037 0.009 . 1 . . . . B 945 PRO CG . 25979 2
67 . 2 2 6 6 PRO CD C 13 49.415 0.009 . 1 . . . . B 945 PRO CD . 25979 2
68 . 2 2 7 7 GLU H H 1 7.935 0.003 . 1 . . . . B 946 GLU H . 25979 2
69 . 2 2 7 7 GLU HA H 1 4.348 0.008 . 1 . . . . B 946 GLU HA . 25979 2
70 . 2 2 7 7 GLU HB2 H 1 2.094 0.000 . 2 . . . . B 946 GLU HB2 . 25979 2
71 . 2 2 7 7 GLU HB3 H 1 1.772 0.001 . 2 . . . . B 946 GLU HB3 . 25979 2
72 . 2 2 7 7 GLU HG2 H 1 2.376 0.001 . 2 . . . . B 946 GLU HG2 . 25979 2
73 . 2 2 7 7 GLU HG3 H 1 2.297 0.008 . 2 . . . . B 946 GLU HG3 . 25979 2
74 . 2 2 7 7 GLU C C 13 174.301 0.000 . 1 . . . . B 946 GLU C . 25979 2
75 . 2 2 7 7 GLU CA C 13 54.474 0.000 . 1 . . . . B 946 GLU CA . 25979 2
76 . 2 2 7 7 GLU CB C 13 28.592 0.000 . 1 . . . . B 946 GLU CB . 25979 2
77 . 2 2 7 7 GLU CG C 13 36.181 0.000 . 1 . . . . B 946 GLU CG . 25979 2
78 . 2 2 7 7 GLU N N 15 118.201 0.000 . 1 . . . . B 946 GLU N . 25979 2
79 . 2 2 8 8 PRO HA H 1 4.851 0.004 . 1 . . . . B 947 PRO HA . 25979 2
80 . 2 2 8 8 PRO HB2 H 1 1.719 0.005 . 2 . . . . B 947 PRO HB2 . 25979 2
81 . 2 2 8 8 PRO HB3 H 1 2.145 0.005 . 2 . . . . B 947 PRO HB3 . 25979 2
82 . 2 2 8 8 PRO HG2 H 1 2.103 0.000 . 2 . . . . B 947 PRO HG2 . 25979 2
83 . 2 2 8 8 PRO HG3 H 1 1.855 0.000 . 2 . . . . B 947 PRO HG3 . 25979 2
84 . 2 2 8 8 PRO HD2 H 1 3.750 0.007 . 2 . . . . B 947 PRO HD2 . 25979 2
85 . 2 2 8 8 PRO HD3 H 1 3.617 0.005 . 2 . . . . B 947 PRO HD3 . 25979 2
86 . 2 2 8 8 PRO C C 13 175.864 0.000 . 1 . . . . B 947 PRO C . 25979 2
87 . 2 2 8 8 PRO CA C 13 62.906 0.000 . 1 . . . . B 947 PRO CA . 25979 2
88 . 2 2 8 8 PRO CB C 13 32.233 0.000 . 1 . . . . B 947 PRO CB . 25979 2
89 . 2 2 8 8 PRO CG C 13 28.311 0.000 . 1 . . . . B 947 PRO CG . 25979 2
90 . 2 2 8 8 PRO CD C 13 50.187 0.005 . 1 . . . . B 947 PRO CD . 25979 2
91 . 2 2 9 9 PHE H H 1 7.869 0.000 . 1 . . . . B 948 PHE H . 25979 2
92 . 2 2 9 9 PHE HA H 1 5.070 0.002 . 1 . . . . B 948 PHE HA . 25979 2
93 . 2 2 9 9 PHE HB2 H 1 3.102 0.004 . 2 . . . . B 948 PHE HB2 . 25979 2
94 . 2 2 9 9 PHE HD1 H 1 7.217 0.001 . 3 . . . . B 948 PHE HD1 . 25979 2
95 . 2 2 9 9 PHE HE1 H 1 6.953 0.003 . 3 . . . . B 948 PHE HE1 . 25979 2
96 . 2 2 9 9 PHE HZ H 1 6.785 0.004 . 1 . . . . B 948 PHE HZ . 25979 2
97 . 2 2 9 9 PHE C C 13 171.805 0.005 . 1 . . . . B 948 PHE C . 25979 2
98 . 2 2 9 9 PHE CA C 13 55.036 0.000 . 1 . . . . B 948 PHE CA . 25979 2
99 . 2 2 9 9 PHE CB C 13 41.522 0.000 . 1 . . . . B 948 PHE CB . 25979 2
100 . 2 2 9 9 PHE CD1 C 13 132.939 0.000 . 3 . . . . B 948 PHE CD1 . 25979 2
101 . 2 2 9 9 PHE N N 15 116.599 0.000 . 1 . . . . B 948 PHE N . 25979 2
102 . 2 2 10 10 GLU H H 1 8.451 0.002 . 1 . . . . B 949 GLU H . 25979 2
103 . 2 2 10 10 GLU HA H 1 4.932 0.002 . 1 . . . . B 949 GLU HA . 25979 2
104 . 2 2 10 10 GLU HB3 H 1 1.919 0.004 . 2 . . . . B 949 GLU HB3 . 25979 2
105 . 2 2 10 10 GLU HG2 H 1 2.214 0.007 . 2 . . . . B 949 GLU HG2 . 25979 2
106 . 2 2 10 10 GLU HG3 H 1 2.098 0.004 . 2 . . . . B 949 GLU HG3 . 25979 2
107 . 2 2 10 10 GLU C C 13 175.891 0.000 . 1 . . . . B 949 GLU C . 25979 2
108 . 2 2 10 10 GLU CA C 13 54.266 0.000 . 1 . . . . B 949 GLU CA . 25979 2
109 . 2 2 10 10 GLU CB C 13 30.924 0.000 . 1 . . . . B 949 GLU CB . 25979 2
110 . 2 2 10 10 GLU CG C 13 36.204 0.000 . 1 . . . . B 949 GLU CG . 25979 2
111 . 2 2 10 10 GLU N N 15 119.256 0.000 . 1 . . . . B 949 GLU N . 25979 2
112 . 2 2 11 11 TYR H H 1 9.116 0.003 . 1 . . . . B 950 TYR H . 25979 2
113 . 2 2 11 11 TYR HA H 1 4.609 0.001 . 1 . . . . B 950 TYR HA . 25979 2
114 . 2 2 11 11 TYR HB2 H 1 2.512 0.011 . 2 . . . . B 950 TYR HB2 . 25979 2
115 . 2 2 11 11 TYR HB3 H 1 2.470 0.003 . 2 . . . . B 950 TYR HB3 . 25979 2
116 . 2 2 11 11 TYR HD1 H 1 7.040 0.033 . 3 . . . . B 950 TYR HD1 . 25979 2
117 . 2 2 11 11 TYR HE1 H 1 6.953 0.002 . 3 . . . . B 950 TYR HE1 . 25979 2
118 . 2 2 11 11 TYR HH H 1 7.050 0.000 . 1 . . . . B 950 TYR HH . 25979 2
119 . 2 2 11 11 TYR C C 13 173.463 0.000 . 1 . . . . B 950 TYR C . 25979 2
120 . 2 2 11 11 TYR CA C 13 57.347 0.000 . 1 . . . . B 950 TYR CA . 25979 2
121 . 2 2 11 11 TYR CB C 13 41.240 0.000 . 1 . . . . B 950 TYR CB . 25979 2
122 . 2 2 11 11 TYR CD1 C 13 132.658 0.000 . 3 . . . . B 950 TYR CD1 . 25979 2
123 . 2 2 11 11 TYR CE1 C 13 118.411 0.000 . 3 . . . . B 950 TYR CE1 . 25979 2
124 . 2 2 11 11 TYR N N 15 126.402 0.000 . 1 . . . . B 950 TYR N . 25979 2
125 . 2 2 12 12 ILE H H 1 7.585 0.005 . 1 . . . . B 951 ILE H . 25979 2
126 . 2 2 12 12 ILE HA H 1 3.949 0.004 . 1 . . . . B 951 ILE HA . 25979 2
127 . 2 2 12 12 ILE HB H 1 1.641 0.002 . 1 . . . . B 951 ILE HB . 25979 2
128 . 2 2 12 12 ILE HG12 H 1 1.343 0.004 . 2 . . . . B 951 ILE HG12 . 25979 2
129 . 2 2 12 12 ILE HG13 H 1 1.055 0.003 . 2 . . . . B 951 ILE HG13 . 25979 2
130 . 2 2 12 12 ILE HG21 H 1 0.789 0.006 . 1 . . . . B 951 ILE HG21 . 25979 2
131 . 2 2 12 12 ILE HG22 H 1 0.789 0.006 . 1 . . . . B 951 ILE HG22 . 25979 2
132 . 2 2 12 12 ILE HG23 H 1 0.789 0.006 . 1 . . . . B 951 ILE HG23 . 25979 2
133 . 2 2 12 12 ILE HD11 H 1 0.804 0.000 . 1 . . . . B 951 ILE HD11 . 25979 2
134 . 2 2 12 12 ILE HD12 H 1 0.804 0.000 . 1 . . . . B 951 ILE HD12 . 25979 2
135 . 2 2 12 12 ILE HD13 H 1 0.804 0.000 . 1 . . . . B 951 ILE HD13 . 25979 2
136 . 2 2 12 12 ILE C C 13 174.396 0.000 . 1 . . . . B 951 ILE C . 25979 2
137 . 2 2 12 12 ILE CA C 13 59.786 0.000 . 1 . . . . B 951 ILE CA . 25979 2
138 . 2 2 12 12 ILE CB C 13 39.273 0.000 . 1 . . . . B 951 ILE CB . 25979 2
139 . 2 2 12 12 ILE CG1 C 13 26.906 0.000 . 1 . . . . B 951 ILE CG1 . 25979 2
140 . 2 2 12 12 ILE CG2 C 13 17.338 0.000 . 1 . . . . B 951 ILE CG2 . 25979 2
141 . 2 2 12 12 ILE CD1 C 13 12.771 0.000 . 1 . . . . B 951 ILE CD1 . 25979 2
142 . 2 2 12 12 ILE N N 15 126.987 0.000 . 1 . . . . B 951 ILE N . 25979 2
143 . 2 2 13 13 ASP H H 1 7.941 0.000 . 1 . . . . B 952 ASP H . 25979 2
144 . 2 2 13 13 ASP HA H 1 4.308 0.005 . 1 . . . . B 952 ASP HA . 25979 2
145 . 2 2 13 13 ASP HB2 H 1 2.691 0.007 . 2 . . . . B 952 ASP HB2 . 25979 2
146 . 2 2 13 13 ASP HB3 H 1 2.451 0.003 . 2 . . . . B 952 ASP HB3 . 25979 2
147 . 2 2 13 13 ASP C C 13 174.519 0.000 . 1 . . . . B 952 ASP C . 25979 2
148 . 2 2 13 13 ASP CA C 13 53.912 0.000 . 1 . . . . B 952 ASP CA . 25979 2
149 . 2 2 13 13 ASP CB C 13 41.521 0.000 . 1 . . . . B 952 ASP CB . 25979 2
150 . 2 2 13 13 ASP N N 15 124.902 0.000 . 1 . . . . B 952 ASP N . 25979 2
151 . 2 2 14 14 ASP H H 1 7.839 0.000 . 1 . . . . B 953 ASP H . 25979 2
152 . 2 2 14 14 ASP HA H 1 4.305 0.000 . 1 . . . . B 953 ASP HA . 25979 2
153 . 2 2 14 14 ASP HB2 H 1 2.587 0.004 . 2 . . . . B 953 ASP HB2 . 25979 2
154 . 2 2 14 14 ASP HB3 H 1 2.533 0.003 . 2 . . . . B 953 ASP HB3 . 25979 2
155 . 2 2 14 14 ASP C C 13 180.939 0.000 . 1 . . . . B 953 ASP C . 25979 2
156 . 2 2 14 14 ASP CA C 13 55.036 0.000 . 1 . . . . B 953 ASP CA . 25979 2
157 . 2 2 14 14 ASP CB C 13 42.352 0.000 . 1 . . . . B 953 ASP CB . 25979 2
158 . 2 2 14 14 ASP N N 15 126.527 0.000 . 1 . . . . B 953 ASP N . 25979 2
stop_
save_