Content for NMR-STAR saveframe, "assigned_chemical_shifts_1"
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 30944
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err 0.025
_Assigned_chem_shift_list.Chem_shift_13C_err 0.3
_Assigned_chem_shift_list.Chem_shift_15N_err 0.2
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' . . . 30944 1
2 '2D 1H-13C HSQC' . . . 30944 1
3 '3D 1H-13C NOESY aliphatic' . . . 30944 1
4 '3D 1H-13C NOESY aromatic' . . . 30944 1
5 '3D 1H-15N NOESY' . . . 30944 1
6 '3D HNCO' . . . 30944 1
7 '3D HNCACB' . . . 30944 1
8 '3D HCACO' . . . 30944 1
9 '3D CBCA(CO)NH' . . . 30944 1
10 '3D HBHA(CO)NH' . . . 30944 1
11 '2D CB(CGCC-TOCSY)Haro' . . . 30944 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 1 1 SER HA H 1 4.134 0.009 . 1 . . . . A 1 SER HA . 30944 1
2 . 1 . 1 1 1 SER HB2 H 1 3.946 0.001 . 2 . . . . A 1 SER HB2 . 30944 1
3 . 1 . 1 1 1 SER HB3 H 1 3.988 0.002 . 2 . . . . A 1 SER HB3 . 30944 1
4 . 1 . 1 1 1 SER C C 13 170.427 0.000 . 1 . . . . A 1 SER C . 30944 1
5 . 1 . 1 1 1 SER CA C 13 57.430 0.030 . 1 . . . . A 1 SER CA . 30944 1
6 . 1 . 1 1 1 SER CB C 13 63.272 0.002 . 1 . . . . A 1 SER CB . 30944 1
7 . 1 . 1 2 2 ALA H H 1 8.677 0.002 . 1 . . . . A 2 ALA H . 30944 1
8 . 1 . 1 2 2 ALA HA H 1 4.401 0.008 . 1 . . . . A 2 ALA HA . 30944 1
9 . 1 . 1 2 2 ALA HB1 H 1 1.353 0.003 . 1 . . . . A 2 ALA HB1 . 30944 1
10 . 1 . 1 2 2 ALA HB2 H 1 1.353 0.003 . 1 . . . . A 2 ALA HB2 . 30944 1
11 . 1 . 1 2 2 ALA HB3 H 1 1.353 0.003 . 1 . . . . A 2 ALA HB3 . 30944 1
12 . 1 . 1 2 2 ALA C C 13 177.184 0.002 . 1 . . . . A 2 ALA C . 30944 1
13 . 1 . 1 2 2 ALA CA C 13 52.529 0.113 . 1 . . . . A 2 ALA CA . 30944 1
14 . 1 . 1 2 2 ALA CB C 13 19.588 0.148 . 1 . . . . A 2 ALA CB . 30944 1
15 . 1 . 1 2 2 ALA N N 15 124.903 0.009 . 1 . . . . A 2 ALA N . 30944 1
16 . 1 . 1 3 3 VAL H H 1 8.164 0.007 . 1 . . . . A 3 VAL H . 30944 1
17 . 1 . 1 3 3 VAL HA H 1 3.992 0.002 . 1 . . . . A 3 VAL HA . 30944 1
18 . 1 . 1 3 3 VAL HB H 1 1.885 0.005 . 1 . . . . A 3 VAL HB . 30944 1
19 . 1 . 1 3 3 VAL HG11 H 1 0.742 0.003 . 1 . . . . A 3 VAL HG11 . 30944 1
20 . 1 . 1 3 3 VAL HG12 H 1 0.742 0.003 . 1 . . . . A 3 VAL HG12 . 30944 1
21 . 1 . 1 3 3 VAL HG13 H 1 0.742 0.003 . 1 . . . . A 3 VAL HG13 . 30944 1
22 . 1 . 1 3 3 VAL HG21 H 1 0.844 0.004 . 1 . . . . A 3 VAL HG21 . 30944 1
23 . 1 . 1 3 3 VAL HG22 H 1 0.844 0.004 . 1 . . . . A 3 VAL HG22 . 30944 1
24 . 1 . 1 3 3 VAL HG23 H 1 0.844 0.004 . 1 . . . . A 3 VAL HG23 . 30944 1
25 . 1 . 1 3 3 VAL C C 13 175.901 0.009 . 1 . . . . A 3 VAL C . 30944 1
26 . 1 . 1 3 3 VAL CA C 13 62.328 0.030 . 1 . . . . A 3 VAL CA . 30944 1
27 . 1 . 1 3 3 VAL CB C 13 32.665 0.023 . 1 . . . . A 3 VAL CB . 30944 1
28 . 1 . 1 3 3 VAL CG1 C 13 21.051 0.050 . 1 . . . . A 3 VAL CG1 . 30944 1
29 . 1 . 1 3 3 VAL CG2 C 13 20.465 0.004 . 1 . . . . A 3 VAL CG2 . 30944 1
30 . 1 . 1 3 3 VAL N N 15 120.072 0.016 . 1 . . . . A 3 VAL N . 30944 1
31 . 1 . 1 4 4 LEU H H 1 8.220 0.003 . 1 . . . . A 4 LEU H . 30944 1
32 . 1 . 1 4 4 LEU HA H 1 4.352 0.003 . 1 . . . . A 4 LEU HA . 30944 1
33 . 1 . 1 4 4 LEU HB2 H 1 1.517 0.005 . 1 . . . . A 4 LEU HB2 . 30944 1
34 . 1 . 1 4 4 LEU HB3 H 1 1.435 0.004 . 1 . . . . A 4 LEU HB3 . 30944 1
35 . 1 . 1 4 4 LEU HG H 1 1.515 0.005 . 1 . . . . A 4 LEU HG . 30944 1
36 . 1 . 1 4 4 LEU HD11 H 1 0.794 0.002 . 1 . . . . A 4 LEU HD11 . 30944 1
37 . 1 . 1 4 4 LEU HD12 H 1 0.794 0.002 . 1 . . . . A 4 LEU HD12 . 30944 1
38 . 1 . 1 4 4 LEU HD13 H 1 0.794 0.002 . 1 . . . . A 4 LEU HD13 . 30944 1
39 . 1 . 1 4 4 LEU HD21 H 1 0.852 0.005 . 1 . . . . A 4 LEU HD21 . 30944 1
40 . 1 . 1 4 4 LEU HD22 H 1 0.852 0.005 . 1 . . . . A 4 LEU HD22 . 30944 1
41 . 1 . 1 4 4 LEU HD23 H 1 0.852 0.005 . 1 . . . . A 4 LEU HD23 . 30944 1
42 . 1 . 1 4 4 LEU C C 13 176.954 0.004 . 1 . . . . A 4 LEU C . 30944 1
43 . 1 . 1 4 4 LEU CA C 13 54.963 0.009 . 1 . . . . A 4 LEU CA . 30944 1
44 . 1 . 1 4 4 LEU CB C 13 42.322 0.017 . 1 . . . . A 4 LEU CB . 30944 1
45 . 1 . 1 4 4 LEU CG C 13 26.969 0.008 . 1 . . . . A 4 LEU CG . 30944 1
46 . 1 . 1 4 4 LEU CD1 C 13 23.472 0.000 . 1 . . . . A 4 LEU CD1 . 30944 1
47 . 1 . 1 4 4 LEU CD2 C 13 24.917 0.065 . 1 . . . . A 4 LEU CD2 . 30944 1
48 . 1 . 1 4 4 LEU N N 15 126.157 0.005 . 1 . . . . A 4 LEU N . 30944 1
49 . 1 . 1 5 5 TRP H H 1 8.094 0.004 . 1 . . . . A 5 TRP H . 30944 1
50 . 1 . 1 5 5 TRP HA H 1 4.597 0.015 . 1 . . . . A 5 TRP HA . 30944 1
51 . 1 . 1 5 5 TRP HB2 H 1 3.222 0.003 . 2 . . . . A 5 TRP HB2 . 30944 1
52 . 1 . 1 5 5 TRP HB3 H 1 3.222 0.003 . 2 . . . . A 5 TRP HB3 . 30944 1
53 . 1 . 1 5 5 TRP HD1 H 1 7.206 0.004 . 1 . . . . A 5 TRP HD1 . 30944 1
54 . 1 . 1 5 5 TRP HE1 H 1 10.123 0.001 . 1 . . . . A 5 TRP HE1 . 30944 1
55 . 1 . 1 5 5 TRP HE3 H 1 7.551 0.005 . 1 . . . . A 5 TRP HE3 . 30944 1
56 . 1 . 1 5 5 TRP HZ2 H 1 7.425 0.008 . 1 . . . . A 5 TRP HZ2 . 30944 1
57 . 1 . 1 5 5 TRP HZ3 H 1 7.096 0.000 . 1 . . . . A 5 TRP HZ3 . 30944 1
58 . 1 . 1 5 5 TRP HH2 H 1 7.184 0.005 . 1 . . . . A 5 TRP HH2 . 30944 1
59 . 1 . 1 5 5 TRP C C 13 175.784 0.000 . 1 . . . . A 5 TRP C . 30944 1
60 . 1 . 1 5 5 TRP CA C 13 57.372 0.000 . 1 . . . . A 5 TRP CA . 30944 1
61 . 1 . 1 5 5 TRP CB C 13 29.542 0.012 . 1 . . . . A 5 TRP CB . 30944 1
62 . 1 . 1 5 5 TRP CD1 C 13 127.237 0.066 . 1 . . . . A 5 TRP CD1 . 30944 1
63 . 1 . 1 5 5 TRP CE3 C 13 120.894 0.061 . 1 . . . . A 5 TRP CE3 . 30944 1
64 . 1 . 1 5 5 TRP CZ2 C 13 114.696 0.129 . 1 . . . . A 5 TRP CZ2 . 30944 1
65 . 1 . 1 5 5 TRP CZ3 C 13 122.037 0.000 . 1 . . . . A 5 TRP CZ3 . 30944 1
66 . 1 . 1 5 5 TRP CH2 C 13 124.606 0.025 . 1 . . . . A 5 TRP CH2 . 30944 1
67 . 1 . 1 5 5 TRP N N 15 121.967 0.005 . 1 . . . . A 5 TRP N . 30944 1
68 . 1 . 1 5 5 TRP NE1 N 15 129.561 0.024 . 1 . . . . A 5 TRP NE1 . 30944 1
69 . 1 . 1 6 6 ASN H H 1 8.081 0.005 . 1 . . . . A 6 ASN H . 30944 1
70 . 1 . 1 6 6 ASN HA H 1 4.495 0.002 . 1 . . . . A 6 ASN HA . 30944 1
71 . 1 . 1 6 6 ASN HB2 H 1 2.545 0.009 . 2 . . . . A 6 ASN HB2 . 30944 1
72 . 1 . 1 6 6 ASN HB3 H 1 2.506 0.010 . 2 . . . . A 6 ASN HB3 . 30944 1
73 . 1 . 1 6 6 ASN HD21 H 1 7.437 0.000 . 2 . . . . A 6 ASN HD21 . 30944 1
74 . 1 . 1 6 6 ASN HD22 H 1 6.779 0.000 . 2 . . . . A 6 ASN HD22 . 30944 1
75 . 1 . 1 6 6 ASN C C 13 174.848 0.004 . 1 . . . . A 6 ASN C . 30944 1
76 . 1 . 1 6 6 ASN CA C 13 52.970 0.015 . 1 . . . . A 6 ASN CA . 30944 1
77 . 1 . 1 6 6 ASN CB C 13 38.536 0.047 . 1 . . . . A 6 ASN CB . 30944 1
78 . 1 . 1 6 6 ASN N N 15 120.173 0.013 . 1 . . . . A 6 ASN N . 30944 1
79 . 1 . 1 6 6 ASN ND2 N 15 112.025 0.003 . 1 . . . . A 6 ASN ND2 . 30944 1
80 . 1 . 1 7 7 GLN H H 1 7.996 0.005 . 1 . . . . A 7 GLN H . 30944 1
81 . 1 . 1 7 7 GLN HA H 1 4.071 0.005 . 1 . . . . A 7 GLN HA . 30944 1
82 . 1 . 1 7 7 GLN HB2 H 1 1.983 0.003 . 2 . . . . A 7 GLN HB2 . 30944 1
83 . 1 . 1 7 7 GLN HB3 H 1 1.870 0.004 . 2 . . . . A 7 GLN HB3 . 30944 1
84 . 1 . 1 7 7 GLN HG2 H 1 2.192 0.008 . 2 . . . . A 7 GLN HG2 . 30944 1
85 . 1 . 1 7 7 GLN HG3 H 1 2.192 0.008 . 2 . . . . A 7 GLN HG3 . 30944 1
86 . 1 . 1 7 7 GLN HE21 H 1 6.818 0.006 . 2 . . . . A 7 GLN HE21 . 30944 1
87 . 1 . 1 7 7 GLN HE22 H 1 7.428 0.000 . 2 . . . . A 7 GLN HE22 . 30944 1
88 . 1 . 1 7 7 GLN C C 13 175.602 0.000 . 1 . . . . A 7 GLN C . 30944 1
89 . 1 . 1 7 7 GLN CA C 13 56.323 0.023 . 1 . . . . A 7 GLN CA . 30944 1
90 . 1 . 1 7 7 GLN CB C 13 29.145 0.019 . 1 . . . . A 7 GLN CB . 30944 1
91 . 1 . 1 7 7 GLN CG C 13 33.678 0.020 . 1 . . . . A 7 GLN CG . 30944 1
92 . 1 . 1 7 7 GLN N N 15 119.873 0.011 . 1 . . . . A 7 GLN N . 30944 1
93 . 1 . 1 7 7 GLN NE2 N 15 112.265 0.003 . 1 . . . . A 7 GLN NE2 . 30944 1
94 . 1 . 1 8 8 GLN H H 1 8.170 0.003 . 1 . . . . A 8 GLN H . 30944 1
95 . 1 . 1 8 8 GLN HA H 1 4.206 0.005 . 1 . . . . A 8 GLN HA . 30944 1
96 . 1 . 1 8 8 GLN HB2 H 1 1.934 0.004 . 2 . . . . A 8 GLN HB2 . 30944 1
97 . 1 . 1 8 8 GLN HB3 H 1 1.866 0.008 . 2 . . . . A 8 GLN HB3 . 30944 1
98 . 1 . 1 8 8 GLN HG2 H 1 2.181 0.007 . 2 . . . . A 8 GLN HG2 . 30944 1
99 . 1 . 1 8 8 GLN HG3 H 1 2.145 0.005 . 2 . . . . A 8 GLN HG3 . 30944 1
100 . 1 . 1 8 8 GLN HE21 H 1 6.768 0.001 . 2 . . . . A 8 GLN HE21 . 30944 1
101 . 1 . 1 8 8 GLN HE22 H 1 7.422 0.000 . 2 . . . . A 8 GLN HE22 . 30944 1
102 . 1 . 1 8 8 GLN C C 13 175.661 0.001 . 1 . . . . A 8 GLN C . 30944 1
103 . 1 . 1 8 8 GLN CA C 13 56.010 0.008 . 1 . . . . A 8 GLN CA . 30944 1
104 . 1 . 1 8 8 GLN CB C 13 29.299 0.095 . 1 . . . . A 8 GLN CB . 30944 1
105 . 1 . 1 8 8 GLN CG C 13 33.658 0.003 . 1 . . . . A 8 GLN CG . 30944 1
106 . 1 . 1 8 8 GLN N N 15 120.236 0.060 . 1 . . . . A 8 GLN N . 30944 1
107 . 1 . 1 8 8 GLN NE2 N 15 112.255 0.004 . 1 . . . . A 8 GLN NE2 . 30944 1
108 . 1 . 1 9 9 TYR H H 1 8.050 0.004 . 1 . . . . A 9 TYR H . 30944 1
109 . 1 . 1 9 9 TYR HA H 1 4.542 0.001 . 1 . . . . A 9 TYR HA . 30944 1
110 . 1 . 1 9 9 TYR HB2 H 1 3.071 0.007 . 2 . . . . A 9 TYR HB2 . 30944 1
111 . 1 . 1 9 9 TYR HB3 H 1 2.852 0.005 . 2 . . . . A 9 TYR HB3 . 30944 1
112 . 1 . 1 9 9 TYR HD1 H 1 7.060 0.008 . 1 . . . . A 9 TYR HD1 . 30944 1
113 . 1 . 1 9 9 TYR HD2 H 1 7.060 0.008 . 1 . . . . A 9 TYR HD2 . 30944 1
114 . 1 . 1 9 9 TYR HE1 H 1 6.773 0.005 . 1 . . . . A 9 TYR HE1 . 30944 1
115 . 1 . 1 9 9 TYR HE2 H 1 6.773 0.005 . 1 . . . . A 9 TYR HE2 . 30944 1
116 . 1 . 1 9 9 TYR C C 13 175.360 0.004 . 1 . . . . A 9 TYR C . 30944 1
117 . 1 . 1 9 9 TYR CA C 13 57.935 0.022 . 1 . . . . A 9 TYR CA . 30944 1
118 . 1 . 1 9 9 TYR CB C 13 38.803 0.034 . 1 . . . . A 9 TYR CB . 30944 1
119 . 1 . 1 9 9 TYR CD1 C 13 133.274 0.054 . 1 . . . . A 9 TYR CD1 . 30944 1
120 . 1 . 1 9 9 TYR CE1 C 13 118.418 0.046 . 1 . . . . A 9 TYR CE1 . 30944 1
121 . 1 . 1 9 9 TYR N N 15 120.450 0.007 . 1 . . . . A 9 TYR N . 30944 1
122 . 1 . 1 10 10 ASP H H 1 8.227 0.005 . 1 . . . . A 10 ASP H . 30944 1
123 . 1 . 1 10 10 ASP HA H 1 4.572 0.008 . 1 . . . . A 10 ASP HA . 30944 1
124 . 1 . 1 10 10 ASP HB2 H 1 2.704 0.002 . 2 . . . . A 10 ASP HB2 . 30944 1
125 . 1 . 1 10 10 ASP HB3 H 1 2.605 0.001 . 2 . . . . A 10 ASP HB3 . 30944 1
126 . 1 . 1 10 10 ASP C C 13 175.916 0.005 . 1 . . . . A 10 ASP C . 30944 1
127 . 1 . 1 10 10 ASP CA C 13 54.163 0.000 . 1 . . . . A 10 ASP CA . 30944 1
128 . 1 . 1 10 10 ASP CB C 13 41.096 0.024 . 1 . . . . A 10 ASP CB . 30944 1
129 . 1 . 1 10 10 ASP N N 15 121.462 0.016 . 1 . . . . A 10 ASP N . 30944 1
130 . 1 . 1 11 11 LYS H H 1 8.175 0.005 . 1 . . . . A 11 LYS H . 30944 1
131 . 1 . 1 11 11 LYS HA H 1 4.348 0.006 . 1 . . . . A 11 LYS HA . 30944 1
132 . 1 . 1 11 11 LYS HB2 H 1 1.748 0.029 . 1 . . . . A 11 LYS HB2 . 30944 1
133 . 1 . 1 11 11 LYS HB3 H 1 1.856 0.026 . 1 . . . . A 11 LYS HB3 . 30944 1
134 . 1 . 1 11 11 LYS HG2 H 1 1.393 0.003 . 2 . . . . A 11 LYS HG2 . 30944 1
135 . 1 . 1 11 11 LYS HG3 H 1 1.393 0.003 . 2 . . . . A 11 LYS HG3 . 30944 1
136 . 1 . 1 11 11 LYS HD2 H 1 1.652 0.000 . 2 . . . . A 11 LYS HD2 . 30944 1
137 . 1 . 1 11 11 LYS HD3 H 1 1.652 0.000 . 2 . . . . A 11 LYS HD3 . 30944 1
138 . 1 . 1 11 11 LYS HE2 H 1 2.962 0.000 . 2 . . . . A 11 LYS HE2 . 30944 1
139 . 1 . 1 11 11 LYS HE3 H 1 2.962 0.000 . 2 . . . . A 11 LYS HE3 . 30944 1
140 . 1 . 1 11 11 LYS C C 13 176.615 0.003 . 1 . . . . A 11 LYS C . 30944 1
141 . 1 . 1 11 11 LYS CA C 13 56.454 0.023 . 1 . . . . A 11 LYS CA . 30944 1
142 . 1 . 1 11 11 LYS CB C 13 32.774 0.084 . 1 . . . . A 11 LYS CB . 30944 1
143 . 1 . 1 11 11 LYS CG C 13 24.596 0.027 . 1 . . . . A 11 LYS CG . 30944 1
144 . 1 . 1 11 11 LYS CD C 13 29.115 0.060 . 1 . . . . A 11 LYS CD . 30944 1
145 . 1 . 1 11 11 LYS CE C 13 42.207 0.001 . 1 . . . . A 11 LYS CE . 30944 1
146 . 1 . 1 11 11 LYS N N 15 121.518 0.004 . 1 . . . . A 11 LYS N . 30944 1
147 . 1 . 1 12 12 THR H H 1 8.273 0.005 . 1 . . . . A 12 THR H . 30944 1
148 . 1 . 1 12 12 THR HA H 1 4.293 0.002 . 1 . . . . A 12 THR HA . 30944 1
149 . 1 . 1 12 12 THR HB H 1 4.185 0.004 . 1 . . . . A 12 THR HB . 30944 1
150 . 1 . 1 12 12 THR HG21 H 1 1.193 0.003 . 1 . . . . A 12 THR HG21 . 30944 1
151 . 1 . 1 12 12 THR HG22 H 1 1.193 0.003 . 1 . . . . A 12 THR HG22 . 30944 1
152 . 1 . 1 12 12 THR HG23 H 1 1.193 0.003 . 1 . . . . A 12 THR HG23 . 30944 1
153 . 1 . 1 12 12 THR C C 13 174.502 0.006 . 1 . . . . A 12 THR C . 30944 1
154 . 1 . 1 12 12 THR CA C 13 62.525 0.015 . 1 . . . . A 12 THR CA . 30944 1
155 . 1 . 1 12 12 THR CB C 13 69.770 0.007 . 1 . . . . A 12 THR CB . 30944 1
156 . 1 . 1 12 12 THR CG2 C 13 21.912 0.000 . 1 . . . . A 12 THR CG2 . 30944 1
157 . 1 . 1 12 12 THR N N 15 115.247 0.010 . 1 . . . . A 12 THR N . 30944 1
158 . 1 . 1 13 13 VAL H H 1 8.063 0.003 . 1 . . . . A 13 VAL H . 30944 1
159 . 1 . 1 13 13 VAL HA H 1 4.199 0.005 . 1 . . . . A 13 VAL HA . 30944 1
160 . 1 . 1 13 13 VAL HB H 1 2.070 0.005 . 1 . . . . A 13 VAL HB . 30944 1
161 . 1 . 1 13 13 VAL HG11 H 1 0.896 0.008 . 1 . . . . A 13 VAL HG11 . 30944 1
162 . 1 . 1 13 13 VAL HG12 H 1 0.896 0.008 . 1 . . . . A 13 VAL HG12 . 30944 1
163 . 1 . 1 13 13 VAL HG13 H 1 0.896 0.008 . 1 . . . . A 13 VAL HG13 . 30944 1
164 . 1 . 1 13 13 VAL HG21 H 1 0.903 0.009 . 1 . . . . A 13 VAL HG21 . 30944 1
165 . 1 . 1 13 13 VAL HG22 H 1 0.903 0.009 . 1 . . . . A 13 VAL HG22 . 30944 1
166 . 1 . 1 13 13 VAL HG23 H 1 0.903 0.009 . 1 . . . . A 13 VAL HG23 . 30944 1
167 . 1 . 1 13 13 VAL C C 13 174.598 0.006 . 1 . . . . A 13 VAL C . 30944 1
168 . 1 . 1 13 13 VAL CA C 13 62.148 0.049 . 1 . . . . A 13 VAL CA . 30944 1
169 . 1 . 1 13 13 VAL CB C 13 32.657 0.004 . 1 . . . . A 13 VAL CB . 30944 1
170 . 1 . 1 13 13 VAL CG1 C 13 21.226 0.000 . 1 . . . . A 13 VAL CG1 . 30944 1
171 . 1 . 1 13 13 VAL CG2 C 13 20.484 0.003 . 1 . . . . A 13 VAL CG2 . 30944 1
172 . 1 . 1 13 13 VAL N N 15 122.575 0.016 . 1 . . . . A 13 VAL N . 30944 1
173 . 1 . 1 14 14 CYS H H 1 8.013 0.004 . 1 . . . . A 14 CYS H . 30944 1
174 . 1 . 1 14 14 CYS HA H 1 4.836 0.006 . 1 . . . . A 14 CYS HA . 30944 1
175 . 1 . 1 14 14 CYS HB2 H 1 3.101 0.048 . 1 . . . . A 14 CYS HB2 . 30944 1
176 . 1 . 1 14 14 CYS HB3 H 1 2.836 0.057 . 1 . . . . A 14 CYS HB3 . 30944 1
177 . 1 . 1 14 14 CYS C C 13 172.102 0.005 . 1 . . . . A 14 CYS C . 30944 1
178 . 1 . 1 14 14 CYS CA C 13 53.901 0.000 . 1 . . . . A 14 CYS CA . 30944 1
179 . 1 . 1 14 14 CYS CB C 13 43.274 0.032 . 1 . . . . A 14 CYS CB . 30944 1
180 . 1 . 1 14 14 CYS N N 15 118.716 0.024 . 1 . . . . A 14 CYS N . 30944 1
181 . 1 . 1 15 15 ASN H H 1 8.782 0.006 . 1 . . . . A 15 ASN H . 30944 1
182 . 1 . 1 15 15 ASN HA H 1 5.128 0.006 . 1 . . . . A 15 ASN HA . 30944 1
183 . 1 . 1 15 15 ASN HB2 H 1 2.752 0.008 . 2 . . . . A 15 ASN HB2 . 30944 1
184 . 1 . 1 15 15 ASN HB3 H 1 2.496 0.007 . 2 . . . . A 15 ASN HB3 . 30944 1
185 . 1 . 1 15 15 ASN C C 13 173.441 0.003 . 1 . . . . A 15 ASN C . 30944 1
186 . 1 . 1 15 15 ASN CA C 13 51.951 0.033 . 1 . . . . A 15 ASN CA . 30944 1
187 . 1 . 1 15 15 ASN CB C 13 39.773 0.032 . 1 . . . . A 15 ASN CB . 30944 1
188 . 1 . 1 15 15 ASN N N 15 120.793 0.018 . 1 . . . . A 15 ASN N . 30944 1
189 . 1 . 1 16 16 GLN H H 1 8.479 0.004 . 1 . . . . A 16 GLN H . 30944 1
190 . 1 . 1 16 16 GLN HA H 1 4.117 0.008 . 1 . . . . A 16 GLN HA . 30944 1
191 . 1 . 1 16 16 GLN HB2 H 1 2.275 0.003 . 1 . . . . A 16 GLN HB2 . 30944 1
192 . 1 . 1 16 16 GLN HB3 H 1 1.704 0.004 . 1 . . . . A 16 GLN HB3 . 30944 1
193 . 1 . 1 16 16 GLN HG2 H 1 2.340 0.003 . 1 . . . . A 16 GLN HG2 . 30944 1
194 . 1 . 1 16 16 GLN HG3 H 1 2.479 0.006 . 1 . . . . A 16 GLN HG3 . 30944 1
195 . 1 . 1 16 16 GLN HE21 H 1 7.632 0.000 . 1 . . . . A 16 GLN HE21 . 30944 1
196 . 1 . 1 16 16 GLN HE22 H 1 6.778 0.000 . 1 . . . . A 16 GLN HE22 . 30944 1
197 . 1 . 1 16 16 GLN C C 13 174.744 0.000 . 1 . . . . A 16 GLN C . 30944 1
198 . 1 . 1 16 16 GLN CA C 13 54.287 0.113 . 1 . . . . A 16 GLN CA . 30944 1
199 . 1 . 1 16 16 GLN CB C 13 30.184 0.004 . 1 . . . . A 16 GLN CB . 30944 1
200 . 1 . 1 16 16 GLN CG C 13 34.050 0.068 . 1 . . . . A 16 GLN CG . 30944 1
201 . 1 . 1 16 16 GLN N N 15 120.034 0.031 . 1 . . . . A 16 GLN N . 30944 1
202 . 1 . 1 16 16 GLN NE2 N 15 112.779 0.004 . 1 . . . . A 16 GLN NE2 . 30944 1
203 . 1 . 1 17 17 GLU H H 1 8.385 0.006 . 1 . . . . A 17 GLU H . 30944 1
204 . 1 . 1 17 17 GLU HA H 1 3.497 0.004 . 1 . . . . A 17 GLU HA . 30944 1
205 . 1 . 1 17 17 GLU HB2 H 1 1.937 0.008 . 2 . . . . A 17 GLU HB2 . 30944 1
206 . 1 . 1 17 17 GLU HB3 H 1 1.937 0.008 . 2 . . . . A 17 GLU HB3 . 30944 1
207 . 1 . 1 17 17 GLU HG2 H 1 2.281 0.008 . 2 . . . . A 17 GLU HG2 . 30944 1
208 . 1 . 1 17 17 GLU HG3 H 1 2.220 0.007 . 2 . . . . A 17 GLU HG3 . 30944 1
209 . 1 . 1 17 17 GLU C C 13 177.186 0.003 . 1 . . . . A 17 GLU C . 30944 1
210 . 1 . 1 17 17 GLU CA C 13 58.610 0.030 . 1 . . . . A 17 GLU CA . 30944 1
211 . 1 . 1 17 17 GLU CB C 13 29.158 0.081 . 1 . . . . A 17 GLU CB . 30944 1
212 . 1 . 1 17 17 GLU CG C 13 35.751 0.087 . 1 . . . . A 17 GLU CG . 30944 1
213 . 1 . 1 17 17 GLU N N 15 119.651 0.008 . 1 . . . . A 17 GLU N . 30944 1
214 . 1 . 1 18 18 GLY H H 1 9.102 0.007 . 1 . . . . A 18 GLY H . 30944 1
215 . 1 . 1 18 18 GLY HA2 H 1 3.501 0.008 . 1 . . . . A 18 GLY HA2 . 30944 1
216 . 1 . 1 18 18 GLY HA3 H 1 4.308 0.010 . 1 . . . . A 18 GLY HA3 . 30944 1
217 . 1 . 1 18 18 GLY C C 13 173.857 0.000 . 1 . . . . A 18 GLY C . 30944 1
218 . 1 . 1 18 18 GLY CA C 13 45.300 0.021 . 1 . . . . A 18 GLY CA . 30944 1
219 . 1 . 1 18 18 GLY N N 15 113.373 0.037 . 1 . . . . A 18 GLY N . 30944 1
220 . 1 . 1 19 19 GLU H H 1 7.896 0.008 . 1 . . . . A 19 GLU H . 30944 1
221 . 1 . 1 19 19 GLU HA H 1 4.344 0.008 . 1 . . . . A 19 GLU HA . 30944 1
222 . 1 . 1 19 19 GLU HB2 H 1 2.049 0.011 . 2 . . . . A 19 GLU HB2 . 30944 1
223 . 1 . 1 19 19 GLU HB3 H 1 2.243 0.011 . 2 . . . . A 19 GLU HB3 . 30944 1
224 . 1 . 1 19 19 GLU HG2 H 1 2.132 0.010 . 2 . . . . A 19 GLU HG2 . 30944 1
225 . 1 . 1 19 19 GLU HG3 H 1 2.086 0.008 . 2 . . . . A 19 GLU HG3 . 30944 1
226 . 1 . 1 19 19 GLU C C 13 174.844 0.000 . 1 . . . . A 19 GLU C . 30944 1
227 . 1 . 1 19 19 GLU CA C 13 54.967 0.013 . 1 . . . . A 19 GLU CA . 30944 1
228 . 1 . 1 19 19 GLU CB C 13 30.585 0.013 . 1 . . . . A 19 GLU CB . 30944 1
229 . 1 . 1 19 19 GLU CG C 13 37.013 0.129 . 1 . . . . A 19 GLU CG . 30944 1
230 . 1 . 1 19 19 GLU N N 15 119.638 0.070 . 1 . . . . A 19 GLU N . 30944 1
231 . 1 . 1 20 20 PHE H H 1 8.113 0.007 . 1 . . . . A 20 PHE H . 30944 1
232 . 1 . 1 20 20 PHE HA H 1 4.908 0.008 . 1 . . . . A 20 PHE HA . 30944 1
233 . 1 . 1 20 20 PHE HB2 H 1 3.011 0.007 . 2 . . . . A 20 PHE HB2 . 30944 1
234 . 1 . 1 20 20 PHE HB3 H 1 3.011 0.007 . 2 . . . . A 20 PHE HB3 . 30944 1
235 . 1 . 1 20 20 PHE HD1 H 1 7.238 0.002 . 1 . . . . A 20 PHE HD1 . 30944 1
236 . 1 . 1 20 20 PHE HD2 H 1 7.238 0.002 . 1 . . . . A 20 PHE HD2 . 30944 1
237 . 1 . 1 20 20 PHE HE1 H 1 7.143 0.000 . 1 . . . . A 20 PHE HE1 . 30944 1
238 . 1 . 1 20 20 PHE HE2 H 1 7.143 0.000 . 1 . . . . A 20 PHE HE2 . 30944 1
239 . 1 . 1 20 20 PHE HZ H 1 7.001 0.011 . 1 . . . . A 20 PHE HZ . 30944 1
240 . 1 . 1 20 20 PHE CB C 13 40.122 0.006 . 1 . . . . A 20 PHE CB . 30944 1
241 . 1 . 1 20 20 PHE CD1 C 13 131.243 0.008 . 1 . . . . A 20 PHE CD1 . 30944 1
242 . 1 . 1 20 20 PHE CE1 C 13 131.671 0.006 . 1 . . . . A 20 PHE CE1 . 30944 1
243 . 1 . 1 20 20 PHE CZ C 13 129.723 0.038 . 1 . . . . A 20 PHE CZ . 30944 1
244 . 1 . 1 20 20 PHE N N 15 118.524 0.033 . 1 . . . . A 20 PHE N . 30944 1
245 . 1 . 1 21 21 CYS HA H 1 4.701 0.003 . 1 . . . . A 21 CYS HA . 30944 1
246 . 1 . 1 21 21 CYS HB2 H 1 3.252 0.010 . 2 . . . . A 21 CYS HB2 . 30944 1
247 . 1 . 1 21 21 CYS HB3 H 1 3.203 0.007 . 2 . . . . A 21 CYS HB3 . 30944 1
248 . 1 . 1 21 21 CYS CB C 13 47.436 0.099 . 1 . . . . A 21 CYS CB . 30944 1
249 . 1 . 1 22 22 SER H H 1 7.776 0.001 . 1 . . . . A 22 SER H . 30944 1
250 . 1 . 1 22 22 SER HA H 1 4.876 0.005 . 1 . . . . A 22 SER HA . 30944 1
251 . 1 . 1 22 22 SER HB2 H 1 3.945 0.003 . 2 . . . . A 22 SER HB2 . 30944 1
252 . 1 . 1 22 22 SER HB3 H 1 3.671 0.012 . 2 . . . . A 22 SER HB3 . 30944 1
253 . 1 . 1 22 22 SER CB C 13 65.841 0.045 . 1 . . . . A 22 SER CB . 30944 1
254 . 1 . 1 23 23 LYS H H 1 8.552 0.008 . 1 . . . . A 23 LYS H . 30944 1
255 . 1 . 1 23 23 LYS HA H 1 4.238 0.009 . 1 . . . . A 23 LYS HA . 30944 1
256 . 1 . 1 23 23 LYS HB2 H 1 1.847 0.007 . 2 . . . . A 23 LYS HB2 . 30944 1
257 . 1 . 1 23 23 LYS HB3 H 1 1.722 0.007 . 2 . . . . A 23 LYS HB3 . 30944 1
258 . 1 . 1 23 23 LYS HG2 H 1 1.376 0.012 . 2 . . . . A 23 LYS HG2 . 30944 1
259 . 1 . 1 23 23 LYS HG3 H 1 1.376 0.012 . 2 . . . . A 23 LYS HG3 . 30944 1
260 . 1 . 1 23 23 LYS HD2 H 1 1.533 0.003 . 2 . . . . A 23 LYS HD2 . 30944 1
261 . 1 . 1 23 23 LYS HD3 H 1 1.533 0.003 . 2 . . . . A 23 LYS HD3 . 30944 1
262 . 1 . 1 23 23 LYS CA C 13 57.802 0.079 . 1 . . . . A 23 LYS CA . 30944 1
263 . 1 . 1 23 23 LYS CB C 13 32.163 0.029 . 1 . . . . A 23 LYS CB . 30944 1
264 . 1 . 1 23 23 LYS CG C 13 24.695 0.079 . 1 . . . . A 23 LYS CG . 30944 1
265 . 1 . 1 23 23 LYS CD C 13 29.019 0.003 . 1 . . . . A 23 LYS CD . 30944 1
266 . 1 . 1 24 24 SER H H 1 8.190 0.007 . 1 . . . . A 24 SER H . 30944 1
267 . 1 . 1 24 24 SER HA H 1 4.513 0.002 . 1 . . . . A 24 SER HA . 30944 1
268 . 1 . 1 24 24 SER HB2 H 1 3.944 0.003 . 2 . . . . A 24 SER HB2 . 30944 1
269 . 1 . 1 24 24 SER HB3 H 1 3.866 0.002 . 2 . . . . A 24 SER HB3 . 30944 1
270 . 1 . 1 24 24 SER C C 13 174.334 0.000 . 1 . . . . A 24 SER C . 30944 1
271 . 1 . 1 24 24 SER CA C 13 58.089 0.001 . 1 . . . . A 24 SER CA . 30944 1
272 . 1 . 1 24 24 SER CB C 13 63.215 0.110 . 1 . . . . A 24 SER CB . 30944 1
273 . 1 . 1 24 24 SER N N 15 113.252 0.017 . 1 . . . . A 24 SER N . 30944 1
274 . 1 . 1 25 25 GLY H H 1 7.744 0.004 . 1 . . . . A 25 GLY H . 30944 1
275 . 1 . 1 25 25 GLY HA2 H 1 4.040 0.006 . 2 . . . . A 25 GLY HA2 . 30944 1
276 . 1 . 1 25 25 GLY HA3 H 1 3.945 0.002 . 2 . . . . A 25 GLY HA3 . 30944 1
277 . 1 . 1 25 25 GLY C C 13 173.486 0.000 . 1 . . . . A 25 GLY C . 30944 1
278 . 1 . 1 25 25 GLY CA C 13 45.356 0.047 . 1 . . . . A 25 GLY CA . 30944 1
279 . 1 . 1 25 25 GLY N N 15 110.061 0.051 . 1 . . . . A 25 GLY N . 30944 1
280 . 1 . 1 26 26 VAL H H 1 7.748 0.005 . 1 . . . . A 26 VAL H . 30944 1
281 . 1 . 1 26 26 VAL HA H 1 4.093 0.007 . 1 . . . . A 26 VAL HA . 30944 1
282 . 1 . 1 26 26 VAL HB H 1 1.970 0.004 . 1 . . . . A 26 VAL HB . 30944 1
283 . 1 . 1 26 26 VAL HG11 H 1 0.818 0.006 . 1 . . . . A 26 VAL HG11 . 30944 1
284 . 1 . 1 26 26 VAL HG12 H 1 0.818 0.006 . 1 . . . . A 26 VAL HG12 . 30944 1
285 . 1 . 1 26 26 VAL HG13 H 1 0.818 0.006 . 1 . . . . A 26 VAL HG13 . 30944 1
286 . 1 . 1 26 26 VAL HG21 H 1 0.857 0.006 . 1 . . . . A 26 VAL HG21 . 30944 1
287 . 1 . 1 26 26 VAL HG22 H 1 0.857 0.006 . 1 . . . . A 26 VAL HG22 . 30944 1
288 . 1 . 1 26 26 VAL HG23 H 1 0.857 0.006 . 1 . . . . A 26 VAL HG23 . 30944 1
289 . 1 . 1 26 26 VAL CA C 13 62.624 0.020 . 1 . . . . A 26 VAL CA . 30944 1
290 . 1 . 1 26 26 VAL CB C 13 32.094 0.006 . 1 . . . . A 26 VAL CB . 30944 1
291 . 1 . 1 26 26 VAL CG1 C 13 21.845 0.046 . 1 . . . . A 26 VAL CG1 . 30944 1
292 . 1 . 1 26 26 VAL CG2 C 13 20.735 0.090 . 1 . . . . A 26 VAL CG2 . 30944 1
293 . 1 . 1 26 26 VAL N N 15 122.080 0.034 . 1 . . . . A 26 VAL N . 30944 1
294 . 1 . 1 27 27 ASP H H 1 8.437 0.003 . 1 . . . . A 27 ASP H . 30944 1
295 . 1 . 1 27 27 ASP HA H 1 4.942 0.009 . 1 . . . . A 27 ASP HA . 30944 1
296 . 1 . 1 27 27 ASP HB2 H 1 2.835 0.001 . 2 . . . . A 27 ASP HB2 . 30944 1
297 . 1 . 1 27 27 ASP HB3 H 1 2.600 0.006 . 2 . . . . A 27 ASP HB3 . 30944 1
298 . 1 . 1 27 27 ASP C C 13 176.800 0.000 . 1 . . . . A 27 ASP C . 30944 1
299 . 1 . 1 27 27 ASP CA C 13 53.049 0.082 . 1 . . . . A 27 ASP CA . 30944 1
300 . 1 . 1 27 27 ASP CB C 13 42.836 0.022 . 1 . . . . A 27 ASP CB . 30944 1
301 . 1 . 1 27 27 ASP N N 15 124.864 0.011 . 1 . . . . A 27 ASP N . 30944 1
302 . 1 . 1 28 28 CYS H H 1 8.992 0.003 . 1 . . . . A 28 CYS H . 30944 1
303 . 1 . 1 28 28 CYS HA H 1 5.009 0.010 . 1 . . . . A 28 CYS HA . 30944 1
304 . 1 . 1 28 28 CYS HB2 H 1 2.482 0.089 . 1 . . . . A 28 CYS HB2 . 30944 1
305 . 1 . 1 28 28 CYS HB3 H 1 3.025 0.092 . 1 . . . . A 28 CYS HB3 . 30944 1
306 . 1 . 1 28 28 CYS C C 13 176.044 0.017 . 1 . . . . A 28 CYS C . 30944 1
307 . 1 . 1 28 28 CYS CA C 13 54.528 0.025 . 1 . . . . A 28 CYS CA . 30944 1
308 . 1 . 1 28 28 CYS CB C 13 40.059 0.122 . 1 . . . . A 28 CYS CB . 30944 1
309 . 1 . 1 28 28 CYS N N 15 118.103 0.019 . 1 . . . . A 28 CYS N . 30944 1
310 . 1 . 1 29 29 CYS H H 1 9.347 0.006 . 1 . . . . A 29 CYS H . 30944 1
311 . 1 . 1 29 29 CYS HA H 1 4.501 0.009 . 1 . . . . A 29 CYS HA . 30944 1
312 . 1 . 1 29 29 CYS HB2 H 1 2.463 0.007 . 1 . . . . A 29 CYS HB2 . 30944 1
313 . 1 . 1 29 29 CYS HB3 H 1 3.371 0.008 . 1 . . . . A 29 CYS HB3 . 30944 1
314 . 1 . 1 29 29 CYS C C 13 172.164 0.013 . 1 . . . . A 29 CYS C . 30944 1
315 . 1 . 1 29 29 CYS CA C 13 54.181 0.005 . 1 . . . . A 29 CYS CA . 30944 1
316 . 1 . 1 29 29 CYS CB C 13 40.186 0.081 . 1 . . . . A 29 CYS CB . 30944 1
317 . 1 . 1 29 29 CYS N N 15 121.928 0.011 . 1 . . . . A 29 CYS N . 30944 1
318 . 1 . 1 30 30 ALA H H 1 8.165 0.005 . 1 . . . . A 30 ALA H . 30944 1
319 . 1 . 1 30 30 ALA HA H 1 4.131 0.006 . 1 . . . . A 30 ALA HA . 30944 1
320 . 1 . 1 30 30 ALA HB1 H 1 1.352 0.006 . 1 . . . . A 30 ALA HB1 . 30944 1
321 . 1 . 1 30 30 ALA HB2 H 1 1.352 0.006 . 1 . . . . A 30 ALA HB2 . 30944 1
322 . 1 . 1 30 30 ALA HB3 H 1 1.352 0.006 . 1 . . . . A 30 ALA HB3 . 30944 1
323 . 1 . 1 30 30 ALA C C 13 178.104 0.004 . 1 . . . . A 30 ALA C . 30944 1
324 . 1 . 1 30 30 ALA CA C 13 53.951 0.017 . 1 . . . . A 30 ALA CA . 30944 1
325 . 1 . 1 30 30 ALA CB C 13 18.492 0.086 . 1 . . . . A 30 ALA CB . 30944 1
326 . 1 . 1 30 30 ALA N N 15 120.849 0.032 . 1 . . . . A 30 ALA N . 30944 1
327 . 1 . 1 31 31 GLY H H 1 8.745 0.006 . 1 . . . . A 31 GLY H . 30944 1
328 . 1 . 1 31 31 GLY HA2 H 1 4.263 0.008 . 2 . . . . A 31 GLY HA2 . 30944 1
329 . 1 . 1 31 31 GLY HA3 H 1 3.614 0.011 . 2 . . . . A 31 GLY HA3 . 30944 1
330 . 1 . 1 31 31 GLY C C 13 173.598 0.034 . 1 . . . . A 31 GLY C . 30944 1
331 . 1 . 1 31 31 GLY CA C 13 44.812 0.096 . 1 . . . . A 31 GLY CA . 30944 1
332 . 1 . 1 31 31 GLY N N 15 110.434 0.031 . 1 . . . . A 31 GLY N . 30944 1
333 . 1 . 1 32 32 LEU H H 1 7.868 0.007 . 1 . . . . A 32 LEU H . 30944 1
334 . 1 . 1 32 32 LEU HA H 1 4.905 0.009 . 1 . . . . A 32 LEU HA . 30944 1
335 . 1 . 1 32 32 LEU HB2 H 1 2.130 0.009 . 1 . . . . A 32 LEU HB2 . 30944 1
336 . 1 . 1 32 32 LEU HB3 H 1 1.070 0.008 . 1 . . . . A 32 LEU HB3 . 30944 1
337 . 1 . 1 32 32 LEU HG H 1 1.375 0.010 . 1 . . . . A 32 LEU HG . 30944 1
338 . 1 . 1 32 32 LEU HD11 H 1 0.793 0.011 . 1 . . . . A 32 LEU HD11 . 30944 1
339 . 1 . 1 32 32 LEU HD12 H 1 0.793 0.011 . 1 . . . . A 32 LEU HD12 . 30944 1
340 . 1 . 1 32 32 LEU HD13 H 1 0.793 0.011 . 1 . . . . A 32 LEU HD13 . 30944 1
341 . 1 . 1 32 32 LEU HD21 H 1 0.650 0.007 . 1 . . . . A 32 LEU HD21 . 30944 1
342 . 1 . 1 32 32 LEU HD22 H 1 0.650 0.007 . 1 . . . . A 32 LEU HD22 . 30944 1
343 . 1 . 1 32 32 LEU HD23 H 1 0.650 0.007 . 1 . . . . A 32 LEU HD23 . 30944 1
344 . 1 . 1 32 32 LEU C C 13 175.996 0.004 . 1 . . . . A 32 LEU C . 30944 1
345 . 1 . 1 32 32 LEU CA C 13 52.935 0.001 . 1 . . . . A 32 LEU CA . 30944 1
346 . 1 . 1 32 32 LEU CB C 13 44.768 0.058 . 1 . . . . A 32 LEU CB . 30944 1
347 . 1 . 1 32 32 LEU CG C 13 26.532 0.089 . 1 . . . . A 32 LEU CG . 30944 1
348 . 1 . 1 32 32 LEU CD1 C 13 26.968 0.063 . 1 . . . . A 32 LEU CD1 . 30944 1
349 . 1 . 1 32 32 LEU CD2 C 13 22.965 0.038 . 1 . . . . A 32 LEU CD2 . 30944 1
350 . 1 . 1 32 32 LEU N N 15 120.240 0.010 . 1 . . . . A 32 LEU N . 30944 1
351 . 1 . 1 33 33 SER H H 1 9.072 0.006 . 1 . . . . A 33 SER H . 30944 1
352 . 1 . 1 33 33 SER HA H 1 4.695 0.006 . 1 . . . . A 33 SER HA . 30944 1
353 . 1 . 1 33 33 SER HB2 H 1 3.711 0.004 . 2 . . . . A 33 SER HB2 . 30944 1
354 . 1 . 1 33 33 SER HB3 H 1 3.643 0.007 . 2 . . . . A 33 SER HB3 . 30944 1
355 . 1 . 1 33 33 SER C C 13 172.526 0.000 . 1 . . . . A 33 SER C . 30944 1
356 . 1 . 1 33 33 SER CA C 13 56.915 0.000 . 1 . . . . A 33 SER CA . 30944 1
357 . 1 . 1 33 33 SER CB C 13 66.076 0.023 . 1 . . . . A 33 SER CB . 30944 1
358 . 1 . 1 33 33 SER N N 15 114.463 0.023 . 1 . . . . A 33 SER N . 30944 1
359 . 1 . 1 34 34 CYS H H 1 8.976 0.007 . 1 . . . . A 34 CYS H . 30944 1
360 . 1 . 1 34 34 CYS HA H 1 5.094 0.007 . 1 . . . . A 34 CYS HA . 30944 1
361 . 1 . 1 34 34 CYS HB2 H 1 3.021 0.007 . 2 . . . . A 34 CYS HB2 . 30944 1
362 . 1 . 1 34 34 CYS HB3 H 1 3.021 0.007 . 2 . . . . A 34 CYS HB3 . 30944 1
363 . 1 . 1 34 34 CYS CA C 13 57.690 0.011 . 1 . . . . A 34 CYS CA . 30944 1
364 . 1 . 1 34 34 CYS CB C 13 39.937 0.176 . 1 . . . . A 34 CYS CB . 30944 1
365 . 1 . 1 34 34 CYS N N 15 124.917 0.007 . 1 . . . . A 34 CYS N . 30944 1
366 . 1 . 1 35 35 ARG H H 1 7.839 0.010 . 1 . . . . A 35 ARG H . 30944 1
367 . 1 . 1 35 35 ARG HA H 1 4.508 0.011 . 1 . . . . A 35 ARG HA . 30944 1
368 . 1 . 1 35 35 ARG HB2 H 1 1.726 0.002 . 2 . . . . A 35 ARG HB2 . 30944 1
369 . 1 . 1 35 35 ARG HB3 H 1 1.726 0.002 . 2 . . . . A 35 ARG HB3 . 30944 1
370 . 1 . 1 35 35 ARG HG2 H 1 1.565 0.002 . 2 . . . . A 35 ARG HG2 . 30944 1
371 . 1 . 1 35 35 ARG HG3 H 1 1.511 0.002 . 2 . . . . A 35 ARG HG3 . 30944 1
372 . 1 . 1 35 35 ARG HD2 H 1 3.132 0.007 . 2 . . . . A 35 ARG HD2 . 30944 1
373 . 1 . 1 35 35 ARG HD3 H 1 3.084 0.006 . 2 . . . . A 35 ARG HD3 . 30944 1
374 . 1 . 1 35 35 ARG CB C 13 30.710 0.103 . 1 . . . . A 35 ARG CB . 30944 1
375 . 1 . 1 35 35 ARG CG C 13 26.598 0.016 . 1 . . . . A 35 ARG CG . 30944 1
376 . 1 . 1 35 35 ARG CD C 13 43.262 0.006 . 1 . . . . A 35 ARG CD . 30944 1
377 . 1 . 1 35 35 ARG N N 15 116.007 0.019 . 1 . . . . A 35 ARG N . 30944 1
378 . 1 . 1 37 37 TYR HB2 H 1 2.829 0.007 . 2 . . . . A 37 TYR HB2 . 30944 1
379 . 1 . 1 37 37 TYR HB3 H 1 2.829 0.007 . 2 . . . . A 37 TYR HB3 . 30944 1
380 . 1 . 1 37 37 TYR HD1 H 1 6.928 0.003 . 1 . . . . A 37 TYR HD1 . 30944 1
381 . 1 . 1 37 37 TYR HD2 H 1 6.928 0.003 . 1 . . . . A 37 TYR HD2 . 30944 1
382 . 1 . 1 37 37 TYR HE1 H 1 6.672 0.004 . 1 . . . . A 37 TYR HE1 . 30944 1
383 . 1 . 1 37 37 TYR HE2 H 1 6.672 0.004 . 1 . . . . A 37 TYR HE2 . 30944 1
384 . 1 . 1 37 37 TYR CB C 13 39.243 0.014 . 1 . . . . A 37 TYR CB . 30944 1
385 . 1 . 1 37 37 TYR CD1 C 13 132.737 0.000 . 1 . . . . A 37 TYR CD1 . 30944 1
386 . 1 . 1 37 37 TYR CE1 C 13 118.553 0.094 . 1 . . . . A 37 TYR CE1 . 30944 1
387 . 1 . 1 39 39 LEU H H 1 8.335 0.006 . 1 . . . . A 39 LEU H . 30944 1
388 . 1 . 1 39 39 LEU HA H 1 4.119 0.005 . 1 . . . . A 39 LEU HA . 30944 1
389 . 1 . 1 39 39 LEU HB2 H 1 1.719 0.003 . 2 . . . . A 39 LEU HB2 . 30944 1
390 . 1 . 1 39 39 LEU HB3 H 1 1.598 0.004 . 2 . . . . A 39 LEU HB3 . 30944 1
391 . 1 . 1 39 39 LEU HG H 1 1.671 0.002 . 1 . . . . A 39 LEU HG . 30944 1
392 . 1 . 1 39 39 LEU HD11 H 1 0.916 0.002 . 2 . . . . A 39 LEU HD11 . 30944 1
393 . 1 . 1 39 39 LEU HD12 H 1 0.916 0.002 . 2 . . . . A 39 LEU HD12 . 30944 1
394 . 1 . 1 39 39 LEU HD13 H 1 0.916 0.002 . 2 . . . . A 39 LEU HD13 . 30944 1
395 . 1 . 1 39 39 LEU HD21 H 1 0.872 0.007 . 2 . . . . A 39 LEU HD21 . 30944 1
396 . 1 . 1 39 39 LEU HD22 H 1 0.872 0.007 . 2 . . . . A 39 LEU HD22 . 30944 1
397 . 1 . 1 39 39 LEU HD23 H 1 0.872 0.007 . 2 . . . . A 39 LEU HD23 . 30944 1
398 . 1 . 1 39 39 LEU C C 13 178.067 0.000 . 1 . . . . A 39 LEU C . 30944 1
399 . 1 . 1 39 39 LEU CA C 13 57.050 0.053 . 1 . . . . A 39 LEU CA . 30944 1
400 . 1 . 1 39 39 LEU CB C 13 41.591 0.073 . 1 . . . . A 39 LEU CB . 30944 1
401 . 1 . 1 39 39 LEU CG C 13 27.035 0.007 . 1 . . . . A 39 LEU CG . 30944 1
402 . 1 . 1 39 39 LEU CD1 C 13 24.985 0.005 . 1 . . . . A 39 LEU CD1 . 30944 1
403 . 1 . 1 39 39 LEU CD2 C 13 23.440 0.004 . 1 . . . . A 39 LEU CD2 . 30944 1
404 . 1 . 1 39 39 LEU N N 15 118.832 0.012 . 1 . . . . A 39 LEU N . 30944 1
405 . 1 . 1 40 40 MET H H 1 7.753 0.003 . 1 . . . . A 40 MET H . 30944 1
406 . 1 . 1 40 40 MET HA H 1 4.473 0.007 . 1 . . . . A 40 MET HA . 30944 1
407 . 1 . 1 40 40 MET HB2 H 1 2.553 0.005 . 1 . . . . A 40 MET HB2 . 30944 1
408 . 1 . 1 40 40 MET HB3 H 1 2.462 0.002 . 1 . . . . A 40 MET HB3 . 30944 1
409 . 1 . 1 40 40 MET HG2 H 1 2.073 0.005 . 2 . . . . A 40 MET HG2 . 30944 1
410 . 1 . 1 40 40 MET HG3 H 1 1.888 0.011 . 2 . . . . A 40 MET HG3 . 30944 1
411 . 1 . 1 40 40 MET HE1 H 1 2.060 0.013 . 1 . . . . A 40 MET HE1 . 30944 1
412 . 1 . 1 40 40 MET HE2 H 1 2.060 0.013 . 1 . . . . A 40 MET HE2 . 30944 1
413 . 1 . 1 40 40 MET HE3 H 1 2.060 0.013 . 1 . . . . A 40 MET HE3 . 30944 1
414 . 1 . 1 40 40 MET C C 13 176.374 0.008 . 1 . . . . A 40 MET C . 30944 1
415 . 1 . 1 40 40 MET CA C 13 55.263 0.000 . 1 . . . . A 40 MET CA . 30944 1
416 . 1 . 1 40 40 MET CB C 13 32.615 0.032 . 1 . . . . A 40 MET CB . 30944 1
417 . 1 . 1 40 40 MET CG C 13 32.461 0.120 . 1 . . . . A 40 MET CG . 30944 1
418 . 1 . 1 40 40 MET CE C 13 16.951 0.008 . 1 . . . . A 40 MET CE . 30944 1
419 . 1 . 1 40 40 MET N N 15 116.429 0.027 . 1 . . . . A 40 MET N . 30944 1
420 . 1 . 1 41 41 GLY H H 1 8.038 0.009 . 1 . . . . A 41 GLY H . 30944 1
421 . 1 . 1 41 41 GLY HA2 H 1 4.042 0.005 . 2 . . . . A 41 GLY HA2 . 30944 1
422 . 1 . 1 41 41 GLY HA3 H 1 3.617 0.003 . 2 . . . . A 41 GLY HA3 . 30944 1
423 . 1 . 1 41 41 GLY CA C 13 45.491 0.100 . 1 . . . . A 41 GLY CA . 30944 1
424 . 1 . 1 41 41 GLY N N 15 106.466 0.022 . 1 . . . . A 41 GLY N . 30944 1
425 . 1 . 1 42 42 TYR HB2 H 1 2.867 0.011 . 2 . . . . A 42 TYR HB2 . 30944 1
426 . 1 . 1 42 42 TYR HB3 H 1 3.069 0.002 . 2 . . . . A 42 TYR HB3 . 30944 1
427 . 1 . 1 42 42 TYR HD1 H 1 6.991 0.003 . 1 . . . . A 42 TYR HD1 . 30944 1
428 . 1 . 1 42 42 TYR HD2 H 1 6.991 0.003 . 1 . . . . A 42 TYR HD2 . 30944 1
429 . 1 . 1 42 42 TYR HE1 H 1 6.736 0.007 . 1 . . . . A 42 TYR HE1 . 30944 1
430 . 1 . 1 42 42 TYR HE2 H 1 6.736 0.007 . 1 . . . . A 42 TYR HE2 . 30944 1
431 . 1 . 1 42 42 TYR CD1 C 13 132.953 0.030 . 1 . . . . A 42 TYR CD1 . 30944 1
432 . 1 . 1 42 42 TYR CE1 C 13 118.186 0.037 . 1 . . . . A 42 TYR CE1 . 30944 1
433 . 1 . 1 44 44 VAL HA H 1 4.897 0.010 . 1 . . . . A 44 VAL HA . 30944 1
434 . 1 . 1 44 44 VAL HB H 1 1.715 0.004 . 1 . . . . A 44 VAL HB . 30944 1
435 . 1 . 1 44 44 VAL HG11 H 1 0.810 0.007 . 2 . . . . A 44 VAL HG11 . 30944 1
436 . 1 . 1 44 44 VAL HG12 H 1 0.810 0.007 . 2 . . . . A 44 VAL HG12 . 30944 1
437 . 1 . 1 44 44 VAL HG13 H 1 0.810 0.007 . 2 . . . . A 44 VAL HG13 . 30944 1
438 . 1 . 1 44 44 VAL HG21 H 1 0.802 0.009 . 2 . . . . A 44 VAL HG21 . 30944 1
439 . 1 . 1 44 44 VAL HG22 H 1 0.802 0.009 . 2 . . . . A 44 VAL HG22 . 30944 1
440 . 1 . 1 44 44 VAL HG23 H 1 0.802 0.009 . 2 . . . . A 44 VAL HG23 . 30944 1
441 . 1 . 1 44 44 VAL C C 13 176.019 0.000 . 1 . . . . A 44 VAL C . 30944 1
442 . 1 . 1 44 44 VAL CA C 13 59.600 0.018 . 1 . . . . A 44 VAL CA . 30944 1
443 . 1 . 1 44 44 VAL CB C 13 36.143 0.024 . 1 . . . . A 44 VAL CB . 30944 1
444 . 1 . 1 44 44 VAL CG1 C 13 20.420 0.022 . 1 . . . . A 44 VAL CG1 . 30944 1
445 . 1 . 1 44 44 VAL CG2 C 13 21.286 0.122 . 1 . . . . A 44 VAL CG2 . 30944 1
446 . 1 . 1 45 45 CYS H H 1 8.721 0.006 . 1 . . . . A 45 CYS H . 30944 1
447 . 1 . 1 45 45 CYS HA H 1 4.927 0.012 . 1 . . . . A 45 CYS HA . 30944 1
448 . 1 . 1 45 45 CYS HB2 H 1 3.116 0.096 . 1 . . . . A 45 CYS HB2 . 30944 1
449 . 1 . 1 45 45 CYS HB3 H 1 2.497 0.090 . 1 . . . . A 45 CYS HB3 . 30944 1
450 . 1 . 1 45 45 CYS C C 13 175.695 0.016 . 1 . . . . A 45 CYS C . 30944 1
451 . 1 . 1 45 45 CYS CA C 13 55.384 0.002 . 1 . . . . A 45 CYS CA . 30944 1
452 . 1 . 1 45 45 CYS CB C 13 40.101 0.106 . 1 . . . . A 45 CYS CB . 30944 1
453 . 1 . 1 45 45 CYS N N 15 123.217 0.018 . 1 . . . . A 45 CYS N . 30944 1
454 . 1 . 1 46 46 ALA H H 1 9.612 0.008 . 1 . . . . A 46 ALA H . 30944 1
455 . 1 . 1 46 46 ALA HA H 1 4.893 0.012 . 1 . . . . A 46 ALA HA . 30944 1
456 . 1 . 1 46 46 ALA HB1 H 1 1.459 0.006 . 1 . . . . A 46 ALA HB1 . 30944 1
457 . 1 . 1 46 46 ALA HB2 H 1 1.459 0.006 . 1 . . . . A 46 ALA HB2 . 30944 1
458 . 1 . 1 46 46 ALA HB3 H 1 1.459 0.006 . 1 . . . . A 46 ALA HB3 . 30944 1
459 . 1 . 1 46 46 ALA C C 13 175.769 0.002 . 1 . . . . A 46 ALA C . 30944 1
460 . 1 . 1 46 46 ALA CA C 13 51.249 0.003 . 1 . . . . A 46 ALA CA . 30944 1
461 . 1 . 1 46 46 ALA CB C 13 23.121 0.059 . 1 . . . . A 46 ALA CB . 30944 1
462 . 1 . 1 46 46 ALA N N 15 129.603 0.022 . 1 . . . . A 46 ALA N . 30944 1
463 . 1 . 1 47 47 ALA H H 1 8.867 0.003 . 1 . . . . A 47 ALA H . 30944 1
464 . 1 . 1 47 47 ALA HA H 1 4.424 0.009 . 1 . . . . A 47 ALA HA . 30944 1
465 . 1 . 1 47 47 ALA HB1 H 1 1.380 0.009 . 1 . . . . A 47 ALA HB1 . 30944 1
466 . 1 . 1 47 47 ALA HB2 H 1 1.380 0.009 . 1 . . . . A 47 ALA HB2 . 30944 1
467 . 1 . 1 47 47 ALA HB3 H 1 1.380 0.009 . 1 . . . . A 47 ALA HB3 . 30944 1
468 . 1 . 1 47 47 ALA C C 13 177.553 0.009 . 1 . . . . A 47 ALA C . 30944 1
469 . 1 . 1 47 47 ALA CA C 13 52.761 0.110 . 1 . . . . A 47 ALA CA . 30944 1
470 . 1 . 1 47 47 ALA CB C 13 18.875 0.019 . 1 . . . . A 47 ALA CB . 30944 1
471 . 1 . 1 47 47 ALA N N 15 124.451 0.015 . 1 . . . . A 47 ALA N . 30944 1
472 . 1 . 1 48 48 GLN H H 1 8.138 0.006 . 1 . . . . A 48 GLN H . 30944 1
473 . 1 . 1 48 48 GLN HA H 1 4.430 0.005 . 1 . . . . A 48 GLN HA . 30944 1
474 . 1 . 1 48 48 GLN HB2 H 1 1.972 0.023 . 1 . . . . A 48 GLN HB2 . 30944 1
475 . 1 . 1 48 48 GLN HB3 H 1 2.072 0.022 . 1 . . . . A 48 GLN HB3 . 30944 1
476 . 1 . 1 48 48 GLN HG2 H 1 2.339 0.009 . 2 . . . . A 48 GLN HG2 . 30944 1
477 . 1 . 1 48 48 GLN HG3 H 1 2.339 0.009 . 2 . . . . A 48 GLN HG3 . 30944 1
478 . 1 . 1 48 48 GLN HE21 H 1 7.478 0.000 . 2 . . . . A 48 GLN HE21 . 30944 1
479 . 1 . 1 48 48 GLN HE22 H 1 6.885 0.000 . 2 . . . . A 48 GLN HE22 . 30944 1
480 . 1 . 1 48 48 GLN C C 13 175.962 0.014 . 1 . . . . A 48 GLN C . 30944 1
481 . 1 . 1 48 48 GLN CA C 13 55.964 0.004 . 1 . . . . A 48 GLN CA . 30944 1
482 . 1 . 1 48 48 GLN CB C 13 29.614 0.049 . 1 . . . . A 48 GLN CB . 30944 1
483 . 1 . 1 48 48 GLN CG C 13 33.737 0.025 . 1 . . . . A 48 GLN CG . 30944 1
484 . 1 . 1 48 48 GLN N N 15 119.553 0.033 . 1 . . . . A 48 GLN N . 30944 1
485 . 1 . 1 48 48 GLN NE2 N 15 112.120 0.011 . 1 . . . . A 48 GLN NE2 . 30944 1
486 . 1 . 1 49 49 THR H H 1 8.345 0.005 . 1 . . . . A 49 THR H . 30944 1
487 . 1 . 1 49 49 THR HA H 1 4.394 0.001 . 1 . . . . A 49 THR HA . 30944 1
488 . 1 . 1 49 49 THR HB H 1 4.300 0.002 . 1 . . . . A 49 THR HB . 30944 1
489 . 1 . 1 49 49 THR HG21 H 1 1.184 0.004 . 1 . . . . A 49 THR HG21 . 30944 1
490 . 1 . 1 49 49 THR HG22 H 1 1.184 0.004 . 1 . . . . A 49 THR HG22 . 30944 1
491 . 1 . 1 49 49 THR HG23 H 1 1.184 0.004 . 1 . . . . A 49 THR HG23 . 30944 1
492 . 1 . 1 49 49 THR C C 13 173.644 0.013 . 1 . . . . A 49 THR C . 30944 1
493 . 1 . 1 49 49 THR CA C 13 61.576 0.056 . 1 . . . . A 49 THR CA . 30944 1
494 . 1 . 1 49 49 THR CB C 13 69.871 0.071 . 1 . . . . A 49 THR CB . 30944 1
495 . 1 . 1 49 49 THR CG2 C 13 21.493 0.004 . 1 . . . . A 49 THR CG2 . 30944 1
496 . 1 . 1 49 49 THR N N 15 114.751 0.009 . 1 . . . . A 49 THR N . 30944 1
497 . 1 . 1 50 50 CYS H H 1 8.029 0.006 . 1 . . . . A 50 CYS H . 30944 1
498 . 1 . 1 50 50 CYS HA H 1 4.862 0.003 . 1 . . . . A 50 CYS HA . 30944 1
499 . 1 . 1 50 50 CYS HB2 H 1 3.053 0.008 . 1 . . . . A 50 CYS HB2 . 30944 1
500 . 1 . 1 50 50 CYS HB3 H 1 3.250 0.006 . 1 . . . . A 50 CYS HB3 . 30944 1
501 . 1 . 1 50 50 CYS C C 13 173.092 0.013 . 1 . . . . A 50 CYS C . 30944 1
502 . 1 . 1 50 50 CYS CA C 13 54.438 0.000 . 1 . . . . A 50 CYS CA . 30944 1
503 . 1 . 1 50 50 CYS CB C 13 43.447 0.127 . 1 . . . . A 50 CYS CB . 30944 1
504 . 1 . 1 50 50 CYS N N 15 117.395 0.015 . 1 . . . . A 50 CYS N . 30944 1
505 . 1 . 1 51 51 SER H H 1 8.649 0.003 . 1 . . . . A 51 SER H . 30944 1
506 . 1 . 1 51 51 SER HA H 1 4.541 0.006 . 1 . . . . A 51 SER HA . 30944 1
507 . 1 . 1 51 51 SER HB2 H 1 3.688 0.057 . 1 . . . . A 51 SER HB2 . 30944 1
508 . 1 . 1 51 51 SER HB3 H 1 3.993 0.057 . 1 . . . . A 51 SER HB3 . 30944 1
509 . 1 . 1 51 51 SER C C 13 172.074 0.025 . 1 . . . . A 51 SER C . 30944 1
510 . 1 . 1 51 51 SER CA C 13 59.354 0.041 . 1 . . . . A 51 SER CA . 30944 1
511 . 1 . 1 51 51 SER CB C 13 64.107 0.064 . 1 . . . . A 51 SER CB . 30944 1
512 . 1 . 1 51 51 SER N N 15 117.941 0.005 . 1 . . . . A 51 SER N . 30944 1
513 . 1 . 1 52 52 GLU H H 1 8.527 0.004 . 1 . . . . A 52 GLU H . 30944 1
514 . 1 . 1 52 52 GLU HA H 1 4.075 0.008 . 1 . . . . A 52 GLU HA . 30944 1
515 . 1 . 1 52 52 GLU HB2 H 1 1.903 0.006 . 1 . . . . A 52 GLU HB2 . 30944 1
516 . 1 . 1 52 52 GLU HB3 H 1 2.217 0.004 . 1 . . . . A 52 GLU HB3 . 30944 1
517 . 1 . 1 52 52 GLU HG2 H 1 2.448 0.005 . 1 . . . . A 52 GLU HG2 . 30944 1
518 . 1 . 1 52 52 GLU HG3 H 1 2.336 0.007 . 1 . . . . A 52 GLU HG3 . 30944 1
519 . 1 . 1 52 52 GLU C C 13 176.047 0.007 . 1 . . . . A 52 GLU C . 30944 1
520 . 1 . 1 52 52 GLU CA C 13 55.395 0.014 . 1 . . . . A 52 GLU CA . 30944 1
521 . 1 . 1 52 52 GLU CB C 13 30.677 0.017 . 1 . . . . A 52 GLU CB . 30944 1
522 . 1 . 1 52 52 GLU CG C 13 36.087 0.043 . 1 . . . . A 52 GLU CG . 30944 1
523 . 1 . 1 52 52 GLU N N 15 124.256 0.019 . 1 . . . . A 52 GLU N . 30944 1
524 . 1 . 1 53 53 GLU H H 1 8.764 0.006 . 1 . . . . A 53 GLU H . 30944 1
525 . 1 . 1 53 53 GLU HA H 1 3.624 0.009 . 1 . . . . A 53 GLU HA . 30944 1
526 . 1 . 1 53 53 GLU HB2 H 1 1.940 0.010 . 2 . . . . A 53 GLU HB2 . 30944 1
527 . 1 . 1 53 53 GLU HB3 H 1 1.972 0.009 . 2 . . . . A 53 GLU HB3 . 30944 1
528 . 1 . 1 53 53 GLU HG2 H 1 2.304 0.013 . 2 . . . . A 53 GLU HG2 . 30944 1
529 . 1 . 1 53 53 GLU HG3 H 1 2.274 0.009 . 2 . . . . A 53 GLU HG3 . 30944 1
530 . 1 . 1 53 53 GLU C C 13 177.025 0.015 . 1 . . . . A 53 GLU C . 30944 1
531 . 1 . 1 53 53 GLU CA C 13 58.511 0.007 . 1 . . . . A 53 GLU CA . 30944 1
532 . 1 . 1 53 53 GLU CB C 13 29.520 0.093 . 1 . . . . A 53 GLU CB . 30944 1
533 . 1 . 1 53 53 GLU CG C 13 35.883 0.094 . 1 . . . . A 53 GLU CG . 30944 1
534 . 1 . 1 53 53 GLU N N 15 121.821 0.033 . 1 . . . . A 53 GLU N . 30944 1
535 . 1 . 1 54 54 GLY H H 1 9.392 0.007 . 1 . . . . A 54 GLY H . 30944 1
536 . 1 . 1 54 54 GLY HA2 H 1 3.862 0.011 . 1 . . . . A 54 GLY HA2 . 30944 1
537 . 1 . 1 54 54 GLY HA3 H 1 4.377 0.006 . 1 . . . . A 54 GLY HA3 . 30944 1
538 . 1 . 1 54 54 GLY C C 13 174.205 0.025 . 1 . . . . A 54 GLY C . 30944 1
539 . 1 . 1 54 54 GLY CA C 13 44.927 0.096 . 1 . . . . A 54 GLY CA . 30944 1
540 . 1 . 1 54 54 GLY N N 15 113.647 0.021 . 1 . . . . A 54 GLY N . 30944 1
541 . 1 . 1 55 55 THR H H 1 7.744 0.005 . 1 . . . . A 55 THR H . 30944 1
542 . 1 . 1 55 55 THR HA H 1 4.395 0.009 . 1 . . . . A 55 THR HA . 30944 1
543 . 1 . 1 55 55 THR HB H 1 4.250 0.008 . 1 . . . . A 55 THR HB . 30944 1
544 . 1 . 1 55 55 THR HG21 H 1 1.321 0.008 . 1 . . . . A 55 THR HG21 . 30944 1
545 . 1 . 1 55 55 THR HG22 H 1 1.321 0.008 . 1 . . . . A 55 THR HG22 . 30944 1
546 . 1 . 1 55 55 THR HG23 H 1 1.321 0.008 . 1 . . . . A 55 THR HG23 . 30944 1
547 . 1 . 1 55 55 THR C C 13 173.259 0.017 . 1 . . . . A 55 THR C . 30944 1
548 . 1 . 1 55 55 THR CA C 13 62.069 0.003 . 1 . . . . A 55 THR CA . 30944 1
549 . 1 . 1 55 55 THR CB C 13 70.553 0.027 . 1 . . . . A 55 THR CB . 30944 1
550 . 1 . 1 55 55 THR CG2 C 13 21.936 0.015 . 1 . . . . A 55 THR CG2 . 30944 1
551 . 1 . 1 55 55 THR N N 15 113.900 0.014 . 1 . . . . A 55 THR N . 30944 1
552 . 1 . 1 56 56 PHE H H 1 8.288 0.007 . 1 . . . . A 56 PHE H . 30944 1
553 . 1 . 1 56 56 PHE HA H 1 4.911 0.007 . 1 . . . . A 56 PHE HA . 30944 1
554 . 1 . 1 56 56 PHE HB2 H 1 3.077 0.008 . 1 . . . . A 56 PHE HB2 . 30944 1
555 . 1 . 1 56 56 PHE HB3 H 1 2.957 0.008 . 1 . . . . A 56 PHE HB3 . 30944 1
556 . 1 . 1 56 56 PHE HD1 H 1 7.096 0.011 . 1 . . . . A 56 PHE HD1 . 30944 1
557 . 1 . 1 56 56 PHE HD2 H 1 7.096 0.011 . 1 . . . . A 56 PHE HD2 . 30944 1
558 . 1 . 1 56 56 PHE HE1 H 1 7.103 0.008 . 1 . . . . A 56 PHE HE1 . 30944 1
559 . 1 . 1 56 56 PHE HE2 H 1 7.103 0.008 . 1 . . . . A 56 PHE HE2 . 30944 1
560 . 1 . 1 56 56 PHE HZ H 1 7.077 0.004 . 1 . . . . A 56 PHE HZ . 30944 1
561 . 1 . 1 56 56 PHE C C 13 174.257 0.012 . 1 . . . . A 56 PHE C . 30944 1
562 . 1 . 1 56 56 PHE CA C 13 58.438 0.000 . 1 . . . . A 56 PHE CA . 30944 1
563 . 1 . 1 56 56 PHE CB C 13 39.755 0.027 . 1 . . . . A 56 PHE CB . 30944 1
564 . 1 . 1 56 56 PHE CD1 C 13 131.701 0.007 . 1 . . . . A 56 PHE CD1 . 30944 1
565 . 1 . 1 56 56 PHE CE1 C 13 131.059 0.011 . 1 . . . . A 56 PHE CE1 . 30944 1
566 . 1 . 1 56 56 PHE CZ C 13 129.517 0.007 . 1 . . . . A 56 PHE CZ . 30944 1
567 . 1 . 1 56 56 PHE N N 15 122.524 0.019 . 1 . . . . A 56 PHE N . 30944 1
568 . 1 . 1 57 57 CYS H H 1 7.867 0.010 . 1 . . . . A 57 CYS H . 30944 1
569 . 1 . 1 57 57 CYS HA H 1 4.696 0.003 . 1 . . . . A 57 CYS HA . 30944 1
570 . 1 . 1 57 57 CYS HB2 H 1 2.964 0.008 . 1 . . . . A 57 CYS HB2 . 30944 1
571 . 1 . 1 57 57 CYS HB3 H 1 3.196 0.009 . 1 . . . . A 57 CYS HB3 . 30944 1
572 . 1 . 1 57 57 CYS C C 13 171.957 0.016 . 1 . . . . A 57 CYS C . 30944 1
573 . 1 . 1 57 57 CYS CA C 13 53.288 0.000 . 1 . . . . A 57 CYS CA . 30944 1
574 . 1 . 1 57 57 CYS CB C 13 47.816 0.042 . 1 . . . . A 57 CYS CB . 30944 1
575 . 1 . 1 57 57 CYS N N 15 119.238 0.063 . 1 . . . . A 57 CYS N . 30944 1
576 . 1 . 1 58 58 SER H H 1 8.709 0.006 . 1 . . . . A 58 SER H . 30944 1
577 . 1 . 1 58 58 SER HA H 1 4.489 0.008 . 1 . . . . A 58 SER HA . 30944 1
578 . 1 . 1 58 58 SER HB2 H 1 3.897 0.009 . 2 . . . . A 58 SER HB2 . 30944 1
579 . 1 . 1 58 58 SER HB3 H 1 3.771 0.011 . 2 . . . . A 58 SER HB3 . 30944 1
580 . 1 . 1 58 58 SER C C 13 174.966 0.014 . 1 . . . . A 58 SER C . 30944 1
581 . 1 . 1 58 58 SER CA C 13 56.309 0.059 . 1 . . . . A 58 SER CA . 30944 1
582 . 1 . 1 58 58 SER CB C 13 63.657 0.107 . 1 . . . . A 58 SER CB . 30944 1
583 . 1 . 1 58 58 SER N N 15 115.520 0.034 . 1 . . . . A 58 SER N . 30944 1
584 . 1 . 1 59 59 LEU H H 1 8.147 0.008 . 1 . . . . A 59 LEU H . 30944 1
585 . 1 . 1 59 59 LEU HA H 1 3.839 0.005 . 1 . . . . A 59 LEU HA . 30944 1
586 . 1 . 1 59 59 LEU HB2 H 1 1.590 0.007 . 1 . . . . A 59 LEU HB2 . 30944 1
587 . 1 . 1 59 59 LEU HB3 H 1 1.507 0.010 . 1 . . . . A 59 LEU HB3 . 30944 1
588 . 1 . 1 59 59 LEU HG H 1 1.400 0.008 . 1 . . . . A 59 LEU HG . 30944 1
589 . 1 . 1 59 59 LEU HD11 H 1 0.663 0.007 . 2 . . . . A 59 LEU HD11 . 30944 1
590 . 1 . 1 59 59 LEU HD12 H 1 0.663 0.007 . 2 . . . . A 59 LEU HD12 . 30944 1
591 . 1 . 1 59 59 LEU HD13 H 1 0.663 0.007 . 2 . . . . A 59 LEU HD13 . 30944 1
592 . 1 . 1 59 59 LEU HD21 H 1 0.818 0.008 . 2 . . . . A 59 LEU HD21 . 30944 1
593 . 1 . 1 59 59 LEU HD22 H 1 0.818 0.008 . 2 . . . . A 59 LEU HD22 . 30944 1
594 . 1 . 1 59 59 LEU HD23 H 1 0.818 0.008 . 2 . . . . A 59 LEU HD23 . 30944 1
595 . 1 . 1 59 59 LEU C C 13 178.100 0.008 . 1 . . . . A 59 LEU C . 30944 1
596 . 1 . 1 59 59 LEU CA C 13 57.219 0.090 . 1 . . . . A 59 LEU CA . 30944 1
597 . 1 . 1 59 59 LEU CB C 13 41.353 0.080 . 1 . . . . A 59 LEU CB . 30944 1
598 . 1 . 1 59 59 LEU CG C 13 27.554 0.013 . 1 . . . . A 59 LEU CG . 30944 1
599 . 1 . 1 59 59 LEU CD1 C 13 23.497 0.019 . 1 . . . . A 59 LEU CD1 . 30944 1
600 . 1 . 1 59 59 LEU CD2 C 13 25.500 0.023 . 1 . . . . A 59 LEU CD2 . 30944 1
601 . 1 . 1 59 59 LEU N N 15 125.135 0.016 . 1 . . . . A 59 LEU N . 30944 1
602 . 1 . 1 60 60 SER H H 1 7.930 0.006 . 1 . . . . A 60 SER H . 30944 1
603 . 1 . 1 60 60 SER HA H 1 4.419 0.006 . 1 . . . . A 60 SER HA . 30944 1
604 . 1 . 1 60 60 SER HB2 H 1 3.747 0.010 . 1 . . . . A 60 SER HB2 . 30944 1
605 . 1 . 1 60 60 SER HB3 H 1 3.848 0.006 . 1 . . . . A 60 SER HB3 . 30944 1
606 . 1 . 1 60 60 SER C C 13 174.200 0.000 . 1 . . . . A 60 SER C . 30944 1
607 . 1 . 1 60 60 SER CA C 13 58.619 0.032 . 1 . . . . A 60 SER CA . 30944 1
608 . 1 . 1 60 60 SER CB C 13 63.661 0.023 . 1 . . . . A 60 SER CB . 30944 1
609 . 1 . 1 60 60 SER N N 15 111.817 0.004 . 1 . . . . A 60 SER N . 30944 1
610 . 1 . 1 61 61 ASP H H 1 7.602 0.007 . 1 . . . . A 61 ASP H . 30944 1
611 . 1 . 1 61 61 ASP HA H 1 4.703 0.006 . 1 . . . . A 61 ASP HA . 30944 1
612 . 1 . 1 61 61 ASP HB2 H 1 2.550 0.031 . 2 . . . . A 61 ASP HB2 . 30944 1
613 . 1 . 1 61 61 ASP HB3 H 1 2.696 0.034 . 2 . . . . A 61 ASP HB3 . 30944 1
614 . 1 . 1 61 61 ASP C C 13 174.824 0.008 . 1 . . . . A 61 ASP C . 30944 1
615 . 1 . 1 61 61 ASP CA C 13 54.175 0.000 . 1 . . . . A 61 ASP CA . 30944 1
616 . 1 . 1 61 61 ASP CB C 13 40.828 0.060 . 1 . . . . A 61 ASP CB . 30944 1
617 . 1 . 1 61 61 ASP N N 15 122.889 0.031 . 1 . . . . A 61 ASP N . 30944 1
618 . 1 . 1 62 62 SER H H 1 8.377 0.008 . 1 . . . . A 62 SER H . 30944 1
619 . 1 . 1 62 62 SER HA H 1 4.533 0.007 . 1 . . . . A 62 SER HA . 30944 1
620 . 1 . 1 62 62 SER HB2 H 1 4.009 0.004 . 2 . . . . A 62 SER HB2 . 30944 1
621 . 1 . 1 62 62 SER HB3 H 1 3.905 0.010 . 2 . . . . A 62 SER HB3 . 30944 1
622 . 1 . 1 62 62 SER C C 13 175.441 0.006 . 1 . . . . A 62 SER C . 30944 1
623 . 1 . 1 62 62 SER CA C 13 58.887 0.000 . 1 . . . . A 62 SER CA . 30944 1
624 . 1 . 1 62 62 SER CB C 13 63.969 0.088 . 1 . . . . A 62 SER CB . 30944 1
625 . 1 . 1 62 62 SER N N 15 116.732 0.022 . 1 . . . . A 62 SER N . 30944 1
626 . 1 . 1 63 63 ASP H H 1 8.304 0.007 . 1 . . . . A 63 ASP H . 30944 1
627 . 1 . 1 63 63 ASP HA H 1 4.857 0.005 . 1 . . . . A 63 ASP HA . 30944 1
628 . 1 . 1 63 63 ASP HB2 H 1 2.732 0.030 . 2 . . . . A 63 ASP HB2 . 30944 1
629 . 1 . 1 63 63 ASP HB3 H 1 2.834 0.030 . 2 . . . . A 63 ASP HB3 . 30944 1
630 . 1 . 1 63 63 ASP C C 13 176.883 0.002 . 1 . . . . A 63 ASP C . 30944 1
631 . 1 . 1 63 63 ASP CA C 13 53.571 0.000 . 1 . . . . A 63 ASP CA . 30944 1
632 . 1 . 1 63 63 ASP CB C 13 40.777 0.041 . 1 . . . . A 63 ASP CB . 30944 1
633 . 1 . 1 63 63 ASP N N 15 123.386 0.027 . 1 . . . . A 63 ASP N . 30944 1
634 . 1 . 1 64 64 CYS H H 1 8.080 0.006 . 1 . . . . A 64 CYS H . 30944 1
635 . 1 . 1 64 64 CYS HA H 1 4.972 0.011 . 1 . . . . A 64 CYS HA . 30944 1
636 . 1 . 1 64 64 CYS HB2 H 1 2.538 0.062 . 1 . . . . A 64 CYS HB2 . 30944 1
637 . 1 . 1 64 64 CYS HB3 H 1 2.954 0.065 . 1 . . . . A 64 CYS HB3 . 30944 1
638 . 1 . 1 64 64 CYS C C 13 175.744 0.008 . 1 . . . . A 64 CYS C . 30944 1
639 . 1 . 1 64 64 CYS CA C 13 55.055 0.070 . 1 . . . . A 64 CYS CA . 30944 1
640 . 1 . 1 64 64 CYS CB C 13 38.363 0.100 . 1 . . . . A 64 CYS CB . 30944 1
641 . 1 . 1 64 64 CYS N N 15 117.777 0.013 . 1 . . . . A 64 CYS N . 30944 1
642 . 1 . 1 65 65 CYS H H 1 9.063 0.005 . 1 . . . . A 65 CYS H . 30944 1
643 . 1 . 1 65 65 CYS HA H 1 4.474 0.011 . 1 . . . . A 65 CYS HA . 30944 1
644 . 1 . 1 65 65 CYS HB2 H 1 3.373 0.009 . 2 . . . . A 65 CYS HB2 . 30944 1
645 . 1 . 1 65 65 CYS HB3 H 1 2.496 0.009 . 2 . . . . A 65 CYS HB3 . 30944 1
646 . 1 . 1 65 65 CYS C C 13 172.595 0.000 . 1 . . . . A 65 CYS C . 30944 1
647 . 1 . 1 65 65 CYS CA C 13 54.777 0.028 . 1 . . . . A 65 CYS CA . 30944 1
648 . 1 . 1 65 65 CYS CB C 13 41.207 0.021 . 1 . . . . A 65 CYS CB . 30944 1
649 . 1 . 1 65 65 CYS N N 15 121.220 0.026 . 1 . . . . A 65 CYS N . 30944 1
650 . 1 . 1 66 66 SER H H 1 8.291 0.004 . 1 . . . . A 66 SER H . 30944 1
651 . 1 . 1 66 66 SER HA H 1 4.156 0.003 . 1 . . . . A 66 SER HA . 30944 1
652 . 1 . 1 66 66 SER HB2 H 1 3.851 0.007 . 2 . . . . A 66 SER HB2 . 30944 1
653 . 1 . 1 66 66 SER HB3 H 1 3.828 0.011 . 2 . . . . A 66 SER HB3 . 30944 1
654 . 1 . 1 66 66 SER C C 13 175.098 0.025 . 1 . . . . A 66 SER C . 30944 1
655 . 1 . 1 66 66 SER CA C 13 60.174 0.031 . 1 . . . . A 66 SER CA . 30944 1
656 . 1 . 1 66 66 SER CB C 13 63.134 0.030 . 1 . . . . A 66 SER CB . 30944 1
657 . 1 . 1 66 66 SER N N 15 113.294 0.017 . 1 . . . . A 66 SER N . 30944 1
658 . 1 . 1 67 67 GLY H H 1 8.801 0.002 . 1 . . . . A 67 GLY H . 30944 1
659 . 1 . 1 67 67 GLY HA2 H 1 4.281 0.000 . 2 . . . . A 67 GLY HA2 . 30944 1
660 . 1 . 1 67 67 GLY HA3 H 1 3.633 0.000 . 2 . . . . A 67 GLY HA3 . 30944 1
661 . 1 . 1 67 67 GLY C C 13 173.792 0.000 . 1 . . . . A 67 GLY C . 30944 1
662 . 1 . 1 67 67 GLY CA C 13 44.943 0.010 . 1 . . . . A 67 GLY CA . 30944 1
663 . 1 . 1 67 67 GLY N N 15 114.130 0.030 . 1 . . . . A 67 GLY N . 30944 1
664 . 1 . 1 68 68 LEU H H 1 7.925 0.006 . 1 . . . . A 68 LEU H . 30944 1
665 . 1 . 1 68 68 LEU HA H 1 4.783 0.010 . 1 . . . . A 68 LEU HA . 30944 1
666 . 1 . 1 68 68 LEU HB2 H 1 2.065 0.010 . 1 . . . . A 68 LEU HB2 . 30944 1
667 . 1 . 1 68 68 LEU HB3 H 1 1.089 0.008 . 1 . . . . A 68 LEU HB3 . 30944 1
668 . 1 . 1 68 68 LEU HG H 1 1.368 0.009 . 1 . . . . A 68 LEU HG . 30944 1
669 . 1 . 1 68 68 LEU HD11 H 1 0.771 0.011 . 1 . . . . A 68 LEU HD11 . 30944 1
670 . 1 . 1 68 68 LEU HD12 H 1 0.771 0.011 . 1 . . . . A 68 LEU HD12 . 30944 1
671 . 1 . 1 68 68 LEU HD13 H 1 0.771 0.011 . 1 . . . . A 68 LEU HD13 . 30944 1
672 . 1 . 1 68 68 LEU HD21 H 1 0.644 0.009 . 1 . . . . A 68 LEU HD21 . 30944 1
673 . 1 . 1 68 68 LEU HD22 H 1 0.644 0.009 . 1 . . . . A 68 LEU HD22 . 30944 1
674 . 1 . 1 68 68 LEU HD23 H 1 0.644 0.009 . 1 . . . . A 68 LEU HD23 . 30944 1
675 . 1 . 1 68 68 LEU C C 13 175.881 0.002 . 1 . . . . A 68 LEU C . 30944 1
676 . 1 . 1 68 68 LEU CA C 13 52.926 0.000 . 1 . . . . A 68 LEU CA . 30944 1
677 . 1 . 1 68 68 LEU CB C 13 44.272 0.101 . 1 . . . . A 68 LEU CB . 30944 1
678 . 1 . 1 68 68 LEU CG C 13 26.501 0.090 . 1 . . . . A 68 LEU CG . 30944 1
679 . 1 . 1 68 68 LEU CD1 C 13 26.840 0.075 . 1 . . . . A 68 LEU CD1 . 30944 1
680 . 1 . 1 68 68 LEU CD2 C 13 23.026 0.085 . 1 . . . . A 68 LEU CD2 . 30944 1
681 . 1 . 1 68 68 LEU N N 15 119.889 0.043 . 1 . . . . A 68 LEU N . 30944 1
682 . 1 . 1 69 69 LYS H H 1 9.209 0.005 . 1 . . . . A 69 LYS H . 30944 1
683 . 1 . 1 69 69 LYS HA H 1 4.543 0.006 . 1 . . . . A 69 LYS HA . 30944 1
684 . 1 . 1 69 69 LYS HB2 H 1 1.707 0.033 . 1 . . . . A 69 LYS HB2 . 30944 1
685 . 1 . 1 69 69 LYS HB3 H 1 1.554 0.037 . 1 . . . . A 69 LYS HB3 . 30944 1
686 . 1 . 1 69 69 LYS HG2 H 1 1.344 0.012 . 1 . . . . A 69 LYS HG2 . 30944 1
687 . 1 . 1 69 69 LYS HG3 H 1 1.368 0.015 . 1 . . . . A 69 LYS HG3 . 30944 1
688 . 1 . 1 69 69 LYS HD2 H 1 1.593 0.007 . 2 . . . . A 69 LYS HD2 . 30944 1
689 . 1 . 1 69 69 LYS HD3 H 1 1.644 0.005 . 2 . . . . A 69 LYS HD3 . 30944 1
690 . 1 . 1 69 69 LYS HE2 H 1 2.929 0.016 . 2 . . . . A 69 LYS HE2 . 30944 1
691 . 1 . 1 69 69 LYS HE3 H 1 2.929 0.016 . 2 . . . . A 69 LYS HE3 . 30944 1
692 . 1 . 1 69 69 LYS C C 13 174.947 0.001 . 1 . . . . A 69 LYS C . 30944 1
693 . 1 . 1 69 69 LYS CA C 13 54.043 0.092 . 1 . . . . A 69 LYS CA . 30944 1
694 . 1 . 1 69 69 LYS CB C 13 35.872 0.120 . 1 . . . . A 69 LYS CB . 30944 1
695 . 1 . 1 69 69 LYS CG C 13 24.552 0.073 . 1 . . . . A 69 LYS CG . 30944 1
696 . 1 . 1 69 69 LYS CD C 13 29.203 0.113 . 1 . . . . A 69 LYS CD . 30944 1
697 . 1 . 1 69 69 LYS CE C 13 42.122 0.016 . 1 . . . . A 69 LYS CE . 30944 1
698 . 1 . 1 69 69 LYS N N 15 119.689 0.022 . 1 . . . . A 69 LYS N . 30944 1
699 . 1 . 1 70 70 CYS H H 1 8.996 0.009 . 1 . . . . A 70 CYS H . 30944 1
700 . 1 . 1 70 70 CYS HA H 1 4.640 0.012 . 1 . . . . A 70 CYS HA . 30944 1
701 . 1 . 1 70 70 CYS HB2 H 1 2.945 0.009 . 2 . . . . A 70 CYS HB2 . 30944 1
702 . 1 . 1 70 70 CYS HB3 H 1 2.945 0.009 . 2 . . . . A 70 CYS HB3 . 30944 1
703 . 1 . 1 70 70 CYS C C 13 173.248 0.012 . 1 . . . . A 70 CYS C . 30944 1
704 . 1 . 1 70 70 CYS CA C 13 55.786 0.000 . 1 . . . . A 70 CYS CA . 30944 1
705 . 1 . 1 70 70 CYS CB C 13 39.686 0.033 . 1 . . . . A 70 CYS CB . 30944 1
706 . 1 . 1 70 70 CYS N N 15 122.833 0.023 . 1 . . . . A 70 CYS N . 30944 1
707 . 1 . 1 71 71 LYS H H 1 8.367 0.007 . 1 . . . . A 71 LYS H . 30944 1
708 . 1 . 1 71 71 LYS HA H 1 4.463 0.009 . 1 . . . . A 71 LYS HA . 30944 1
709 . 1 . 1 71 71 LYS HB2 H 1 1.853 0.008 . 1 . . . . A 71 LYS HB2 . 30944 1
710 . 1 . 1 71 71 LYS HB3 H 1 1.669 0.007 . 1 . . . . A 71 LYS HB3 . 30944 1
711 . 1 . 1 71 71 LYS HG2 H 1 1.283 0.019 . 2 . . . . A 71 LYS HG2 . 30944 1
712 . 1 . 1 71 71 LYS HG3 H 1 1.383 0.019 . 2 . . . . A 71 LYS HG3 . 30944 1
713 . 1 . 1 71 71 LYS HD2 H 1 1.614 0.001 . 2 . . . . A 71 LYS HD2 . 30944 1
714 . 1 . 1 71 71 LYS HD3 H 1 1.660 0.010 . 2 . . . . A 71 LYS HD3 . 30944 1
715 . 1 . 1 71 71 LYS HE2 H 1 2.822 0.005 . 2 . . . . A 71 LYS HE2 . 30944 1
716 . 1 . 1 71 71 LYS HE3 H 1 2.915 0.007 . 2 . . . . A 71 LYS HE3 . 30944 1
717 . 1 . 1 71 71 LYS C C 13 175.614 0.017 . 1 . . . . A 71 LYS C . 30944 1
718 . 1 . 1 71 71 LYS CA C 13 55.475 0.029 . 1 . . . . A 71 LYS CA . 30944 1
719 . 1 . 1 71 71 LYS CB C 13 34.623 0.020 . 1 . . . . A 71 LYS CB . 30944 1
720 . 1 . 1 71 71 LYS CG C 13 25.443 0.064 . 1 . . . . A 71 LYS CG . 30944 1
721 . 1 . 1 71 71 LYS CD C 13 29.528 0.056 . 1 . . . . A 71 LYS CD . 30944 1
722 . 1 . 1 71 71 LYS CE C 13 42.115 0.006 . 1 . . . . A 71 LYS CE . 30944 1
723 . 1 . 1 71 71 LYS N N 15 130.576 0.027 . 1 . . . . A 71 LYS N . 30944 1
724 . 1 . 1 72 72 ARG H H 1 8.663 0.005 . 1 . . . . A 72 ARG H . 30944 1
725 . 1 . 1 72 72 ARG HA H 1 4.068 0.010 . 1 . . . . A 72 ARG HA . 30944 1
726 . 1 . 1 72 72 ARG HB2 H 1 1.723 0.010 . 2 . . . . A 72 ARG HB2 . 30944 1
727 . 1 . 1 72 72 ARG HB3 H 1 1.723 0.010 . 2 . . . . A 72 ARG HB3 . 30944 1
728 . 1 . 1 72 72 ARG HG2 H 1 1.454 0.027 . 1 . . . . A 72 ARG HG2 . 30944 1
729 . 1 . 1 72 72 ARG HG3 H 1 1.610 0.026 . 1 . . . . A 72 ARG HG3 . 30944 1
730 . 1 . 1 72 72 ARG HD2 H 1 3.117 0.003 . 2 . . . . A 72 ARG HD2 . 30944 1
731 . 1 . 1 72 72 ARG HD3 H 1 3.117 0.003 . 2 . . . . A 72 ARG HD3 . 30944 1
732 . 1 . 1 72 72 ARG C C 13 176.167 0.006 . 1 . . . . A 72 ARG C . 30944 1
733 . 1 . 1 72 72 ARG CA C 13 57.861 0.085 . 1 . . . . A 72 ARG CA . 30944 1
734 . 1 . 1 72 72 ARG CB C 13 30.611 0.017 . 1 . . . . A 72 ARG CB . 30944 1
735 . 1 . 1 72 72 ARG CG C 13 27.469 0.055 . 1 . . . . A 72 ARG CG . 30944 1
736 . 1 . 1 72 72 ARG CD C 13 43.331 0.024 . 1 . . . . A 72 ARG CD . 30944 1
737 . 1 . 1 72 72 ARG N N 15 124.406 0.019 . 1 . . . . A 72 ARG N . 30944 1
738 . 1 . 1 73 73 ARG H H 1 8.802 0.005 . 1 . . . . A 73 ARG H . 30944 1
739 . 1 . 1 73 73 ARG HA H 1 4.575 0.009 . 1 . . . . A 73 ARG HA . 30944 1
740 . 1 . 1 73 73 ARG HB2 H 1 1.881 0.006 . 1 . . . . A 73 ARG HB2 . 30944 1
741 . 1 . 1 73 73 ARG HB3 H 1 1.542 0.007 . 1 . . . . A 73 ARG HB3 . 30944 1
742 . 1 . 1 73 73 ARG HG2 H 1 1.632 0.011 . 2 . . . . A 73 ARG HG2 . 30944 1
743 . 1 . 1 73 73 ARG HG3 H 1 1.632 0.011 . 2 . . . . A 73 ARG HG3 . 30944 1
744 . 1 . 1 73 73 ARG HD2 H 1 3.204 0.014 . 2 . . . . A 73 ARG HD2 . 30944 1
745 . 1 . 1 73 73 ARG HD3 H 1 3.183 0.010 . 2 . . . . A 73 ARG HD3 . 30944 1
746 . 1 . 1 73 73 ARG C C 13 175.585 0.010 . 1 . . . . A 73 ARG C . 30944 1
747 . 1 . 1 73 73 ARG CA C 13 54.512 0.000 . 1 . . . . A 73 ARG CA . 30944 1
748 . 1 . 1 73 73 ARG CB C 13 31.697 0.082 . 1 . . . . A 73 ARG CB . 30944 1
749 . 1 . 1 73 73 ARG CG C 13 26.693 0.099 . 1 . . . . A 73 ARG CG . 30944 1
750 . 1 . 1 73 73 ARG CD C 13 42.915 0.069 . 1 . . . . A 73 ARG CD . 30944 1
751 . 1 . 1 73 73 ARG N N 15 125.572 0.027 . 1 . . . . A 73 ARG N . 30944 1
752 . 1 . 1 74 74 GLY H H 1 7.810 0.008 . 1 . . . . A 74 GLY H . 30944 1
753 . 1 . 1 74 74 GLY HA2 H 1 3.870 0.003 . 1 . . . . A 74 GLY HA2 . 30944 1
754 . 1 . 1 74 74 GLY HA3 H 1 3.750 0.007 . 1 . . . . A 74 GLY HA3 . 30944 1
755 . 1 . 1 74 74 GLY C C 13 173.414 0.004 . 1 . . . . A 74 GLY C . 30944 1
756 . 1 . 1 74 74 GLY CA C 13 45.301 0.006 . 1 . . . . A 74 GLY CA . 30944 1
757 . 1 . 1 74 74 GLY N N 15 108.675 0.021 . 1 . . . . A 74 GLY N . 30944 1
758 . 1 . 1 75 75 HIS H H 1 8.605 0.008 . 1 . . . . A 75 HIS H . 30944 1
759 . 1 . 1 75 75 HIS HA H 1 4.551 0.006 . 1 . . . . A 75 HIS HA . 30944 1
760 . 1 . 1 75 75 HIS HB2 H 1 3.246 0.006 . 2 . . . . A 75 HIS HB2 . 30944 1
761 . 1 . 1 75 75 HIS HB3 H 1 3.036 0.008 . 2 . . . . A 75 HIS HB3 . 30944 1
762 . 1 . 1 75 75 HIS HD2 H 1 7.264 0.009 . 1 . . . . A 75 HIS HD2 . 30944 1
763 . 1 . 1 75 75 HIS HE1 H 1 8.496 0.004 . 1 . . . . A 75 HIS HE1 . 30944 1
764 . 1 . 1 75 75 HIS CA C 13 56.351 0.002 . 1 . . . . A 75 HIS CA . 30944 1
765 . 1 . 1 75 75 HIS CB C 13 28.291 0.095 . 1 . . . . A 75 HIS CB . 30944 1
766 . 1 . 1 75 75 HIS CD2 C 13 119.918 0.084 . 1 . . . . A 75 HIS CD2 . 30944 1
767 . 1 . 1 75 75 HIS CE1 C 13 136.743 0.016 . 1 . . . . A 75 HIS CE1 . 30944 1
768 . 1 . 1 75 75 HIS N N 15 118.067 0.040 . 1 . . . . A 75 HIS N . 30944 1
769 . 1 . 1 76 76 GLY H H 1 8.492 0.004 . 1 . . . . A 76 GLY H . 30944 1
770 . 1 . 1 76 76 GLY HA2 H 1 3.803 0.062 . 2 . . . . A 76 GLY HA2 . 30944 1
771 . 1 . 1 76 76 GLY HA3 H 1 4.089 0.065 . 2 . . . . A 76 GLY HA3 . 30944 1
772 . 1 . 1 76 76 GLY C C 13 173.697 0.011 . 1 . . . . A 76 GLY C . 30944 1
773 . 1 . 1 76 76 GLY CA C 13 45.799 0.008 . 1 . . . . A 76 GLY CA . 30944 1
774 . 1 . 1 76 76 GLY N N 15 109.844 0.033 . 1 . . . . A 76 GLY N . 30944 1
775 . 1 . 1 77 77 TYR H H 1 7.498 0.006 . 1 . . . . A 77 TYR H . 30944 1
776 . 1 . 1 77 77 TYR HA H 1 5.014 0.006 . 1 . . . . A 77 TYR HA . 30944 1
777 . 1 . 1 77 77 TYR HB2 H 1 3.009 0.015 . 1 . . . . A 77 TYR HB2 . 30944 1
778 . 1 . 1 77 77 TYR HB3 H 1 3.059 0.015 . 1 . . . . A 77 TYR HB3 . 30944 1
779 . 1 . 1 77 77 TYR HD1 H 1 7.056 0.011 . 1 . . . . A 77 TYR HD1 . 30944 1
780 . 1 . 1 77 77 TYR HD2 H 1 7.056 0.011 . 1 . . . . A 77 TYR HD2 . 30944 1
781 . 1 . 1 77 77 TYR HE1 H 1 6.736 0.000 . 1 . . . . A 77 TYR HE1 . 30944 1
782 . 1 . 1 77 77 TYR HE2 H 1 6.736 0.000 . 1 . . . . A 77 TYR HE2 . 30944 1
783 . 1 . 1 77 77 TYR C C 13 174.344 0.005 . 1 . . . . A 77 TYR C . 30944 1
784 . 1 . 1 77 77 TYR CA C 13 56.330 0.002 . 1 . . . . A 77 TYR CA . 30944 1
785 . 1 . 1 77 77 TYR CB C 13 41.142 0.028 . 1 . . . . A 77 TYR CB . 30944 1
786 . 1 . 1 77 77 TYR CD1 C 13 133.729 0.147 . 1 . . . . A 77 TYR CD1 . 30944 1
787 . 1 . 1 77 77 TYR CE1 C 13 118.081 0.102 . 1 . . . . A 77 TYR CE1 . 30944 1
788 . 1 . 1 77 77 TYR N N 15 118.308 0.030 . 1 . . . . A 77 TYR N . 30944 1
789 . 1 . 1 78 78 GLY H H 1 8.658 0.004 . 1 . . . . A 78 GLY H . 30944 1
790 . 1 . 1 78 78 GLY HA2 H 1 4.314 0.007 . 1 . . . . A 78 GLY HA2 . 30944 1
791 . 1 . 1 78 78 GLY HA3 H 1 3.634 0.011 . 1 . . . . A 78 GLY HA3 . 30944 1
792 . 1 . 1 78 78 GLY C C 13 173.058 0.005 . 1 . . . . A 78 GLY C . 30944 1
793 . 1 . 1 78 78 GLY CA C 13 45.386 0.114 . 1 . . . . A 78 GLY CA . 30944 1
794 . 1 . 1 78 78 GLY N N 15 109.824 0.031 . 1 . . . . A 78 GLY N . 30944 1
795 . 1 . 1 79 79 GLU H H 1 8.532 0.007 . 1 . . . . A 79 GLU H . 30944 1
796 . 1 . 1 79 79 GLU HA H 1 5.180 0.005 . 1 . . . . A 79 GLU HA . 30944 1
797 . 1 . 1 79 79 GLU HB2 H 1 1.770 0.009 . 2 . . . . A 79 GLU HB2 . 30944 1
798 . 1 . 1 79 79 GLU HB3 H 1 1.770 0.009 . 2 . . . . A 79 GLU HB3 . 30944 1
799 . 1 . 1 79 79 GLU HG2 H 1 2.164 0.001 . 2 . . . . A 79 GLU HG2 . 30944 1
800 . 1 . 1 79 79 GLU HG3 H 1 2.082 0.005 . 2 . . . . A 79 GLU HG3 . 30944 1
801 . 1 . 1 79 79 GLU C C 13 177.391 0.008 . 1 . . . . A 79 GLU C . 30944 1
802 . 1 . 1 79 79 GLU CA C 13 54.370 0.014 . 1 . . . . A 79 GLU CA . 30944 1
803 . 1 . 1 79 79 GLU CB C 13 34.540 0.006 . 1 . . . . A 79 GLU CB . 30944 1
804 . 1 . 1 79 79 GLU CG C 13 36.042 0.009 . 1 . . . . A 79 GLU CG . 30944 1
805 . 1 . 1 79 79 GLU N N 15 119.968 0.028 . 1 . . . . A 79 GLU N . 30944 1
806 . 1 . 1 80 80 CYS H H 1 8.912 0.004 . 1 . . . . A 80 CYS H . 30944 1
807 . 1 . 1 80 80 CYS HA H 1 4.966 0.011 . 1 . . . . A 80 CYS HA . 30944 1
808 . 1 . 1 80 80 CYS HB2 H 1 2.961 0.007 . 1 . . . . A 80 CYS HB2 . 30944 1
809 . 1 . 1 80 80 CYS HB3 H 1 2.564 0.008 . 1 . . . . A 80 CYS HB3 . 30944 1
810 . 1 . 1 80 80 CYS C C 13 175.926 0.008 . 1 . . . . A 80 CYS C . 30944 1
811 . 1 . 1 80 80 CYS CA C 13 55.325 0.092 . 1 . . . . A 80 CYS CA . 30944 1
812 . 1 . 1 80 80 CYS CB C 13 38.189 0.023 . 1 . . . . A 80 CYS CB . 30944 1
813 . 1 . 1 80 80 CYS N N 15 124.467 0.016 . 1 . . . . A 80 CYS N . 30944 1
814 . 1 . 1 81 81 SER H H 1 9.769 0.008 . 1 . . . . A 81 SER H . 30944 1
815 . 1 . 1 81 81 SER HA H 1 5.020 0.007 . 1 . . . . A 81 SER HA . 30944 1
816 . 1 . 1 81 81 SER HB2 H 1 3.686 0.017 . 2 . . . . A 81 SER HB2 . 30944 1
817 . 1 . 1 81 81 SER HB3 H 1 3.779 0.019 . 2 . . . . A 81 SER HB3 . 30944 1
818 . 1 . 1 81 81 SER C C 13 173.002 0.003 . 1 . . . . A 81 SER C . 30944 1
819 . 1 . 1 81 81 SER CA C 13 57.847 0.071 . 1 . . . . A 81 SER CA . 30944 1
820 . 1 . 1 81 81 SER CB C 13 66.640 0.012 . 1 . . . . A 81 SER CB . 30944 1
821 . 1 . 1 81 81 SER N N 15 121.865 0.031 . 1 . . . . A 81 SER N . 30944 1
822 . 1 . 1 82 82 LYS H H 1 8.735 0.007 . 1 . . . . A 82 LYS H . 30944 1
823 . 1 . 1 82 82 LYS HA H 1 4.209 0.005 . 1 . . . . A 82 LYS HA . 30944 1
824 . 1 . 1 82 82 LYS HB2 H 1 1.686 0.008 . 1 . . . . A 82 LYS HB2 . 30944 1
825 . 1 . 1 82 82 LYS HB3 H 1 1.853 0.004 . 1 . . . . A 82 LYS HB3 . 30944 1
826 . 1 . 1 82 82 LYS HG2 H 1 1.346 0.004 . 1 . . . . A 82 LYS HG2 . 30944 1
827 . 1 . 1 82 82 LYS HG3 H 1 1.436 0.006 . 1 . . . . A 82 LYS HG3 . 30944 1
828 . 1 . 1 82 82 LYS HD2 H 1 1.649 0.002 . 2 . . . . A 82 LYS HD2 . 30944 1
829 . 1 . 1 82 82 LYS HD3 H 1 1.690 0.007 . 2 . . . . A 82 LYS HD3 . 30944 1
830 . 1 . 1 82 82 LYS HE2 H 1 2.970 0.007 . 2 . . . . A 82 LYS HE2 . 30944 1
831 . 1 . 1 82 82 LYS HE3 H 1 2.970 0.007 . 2 . . . . A 82 LYS HE3 . 30944 1
832 . 1 . 1 82 82 LYS C C 13 182.212 0.000 . 1 . . . . A 82 LYS C . 30944 1
833 . 1 . 1 82 82 LYS CA C 13 59.072 0.018 . 1 . . . . A 82 LYS CA . 30944 1
834 . 1 . 1 82 82 LYS CB C 13 33.111 0.034 . 1 . . . . A 82 LYS CB . 30944 1
835 . 1 . 1 82 82 LYS CG C 13 26.011 0.005 . 1 . . . . A 82 LYS CG . 30944 1
836 . 1 . 1 82 82 LYS CD C 13 29.419 0.156 . 1 . . . . A 82 LYS CD . 30944 1
837 . 1 . 1 82 82 LYS CE C 13 42.197 0.015 . 1 . . . . A 82 LYS CE . 30944 1
838 . 1 . 1 82 82 LYS N N 15 130.793 0.008 . 1 . . . . A 82 LYS N . 30944 1
stop_
save_