Content for NMR-STAR saveframe, Chemical_shifts_at_pH*_5.7
save_Chemical_shifts_at_pH*_5.7
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode Chemical_shifts_at_pH*_5.7
_Assigned_chem_shift_list.Entry_ID 17062
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $Structure_determination
_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
1 '2D 1H-15N HSQC' . . . 17062 1
2 '3D 1H-15N TOCSY' . . . 17062 1
3 '3D 1H-15N NOESY' . . . 17062 1
4 '3D HNHA' . . . 17062 1
6 '2D 1H-1H COSY' . . . 17062 1
7 '2D 1H-1H TOCSY' . . . 17062 1
8 '2D 1H-1H NOESY' . . . 17062 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.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 THR HA H 1 3.766 0.014 . 1 . . . . -3 THR HA . 17062 1
2 . 1 1 1 1 THR HB H 1 4.106 0.006 . 1 . . . . -3 THR HB . 17062 1
3 . 1 1 1 1 THR HG1 H 1 1.320 0.003 . 1 . . . . -3 THR HG1 . 17062 1
4 . 1 1 1 1 THR HG21 H 1 1.192 0.006 . 1 . . . . -3 THR HG21 . 17062 1
5 . 1 1 1 1 THR HG22 H 1 1.192 0.006 . 1 . . . . -3 THR HG22 . 17062 1
6 . 1 1 1 1 THR HG23 H 1 1.192 0.006 . 1 . . . . -3 THR HG23 . 17062 1
7 . 1 1 2 2 TYR H H 1 8.011 0.016 . 1 . . . . -2 TYR H . 17062 1
8 . 1 1 2 2 TYR HA H 1 4.224 0.000 . 1 . . . . -2 TYR HA . 17062 1
9 . 1 1 2 2 TYR N N 15 121.763 0.031 . 1 . . . . -2 TYR N . 17062 1
10 . 1 1 3 3 GLN H H 1 8.867 0.019 . 1 . . . . -1 GLN H . 17062 1
11 . 1 1 3 3 GLN HA H 1 4.372 0.012 . 1 . . . . -1 GLN HA . 17062 1
12 . 1 1 3 3 GLN HB2 H 1 1.878 0.009 . 2 . . . . -1 GLN HB2 . 17062 1
13 . 1 1 3 3 GLN HB3 H 1 2.238 0.005 . 2 . . . . -1 GLN HB3 . 17062 1
14 . 1 1 3 3 GLN HE21 H 1 7.311 0.010 . 1 . . . . -1 GLN HE21 . 17062 1
15 . 1 1 3 3 GLN HE22 H 1 6.699 0.020 . 1 . . . . -1 GLN HE22 . 17062 1
16 . 1 1 3 3 GLN HG2 H 1 2.574 0.017 . 1 . . . . -1 GLN HG2 . 17062 1
17 . 1 1 3 3 GLN N N 15 122.276 0.033 . 1 . . . . -1 GLN N . 17062 1
18 . 1 1 3 3 GLN NE2 N 15 112.244 0.028 . 1 . . . . -1 GLN NE2 . 17062 1
19 . 1 1 4 4 CYS H H 1 7.963 0.012 . 1 . . . . 1 CYS H . 17062 1
20 . 1 1 4 4 CYS HA H 1 4.971 0.008 . 1 . . . . 1 CYS HA . 17062 1
21 . 1 1 4 4 CYS HB2 H 1 3.065 0.014 . 2 . . . . 1 CYS HB2 . 17062 1
22 . 1 1 4 4 CYS HB3 H 1 3.335 0.008 . 2 . . . . 1 CYS HB3 . 17062 1
23 . 1 1 4 4 CYS N N 15 116.219 0.035 . 1 . . . . 1 CYS N . 17062 1
24 . 1 1 5 5 LEU H H 1 9.314 0.020 . 1 . . . . 2 LEU H . 17062 1
25 . 1 1 5 5 LEU HA H 1 4.321 0.012 . 1 . . . . 2 LEU HA . 17062 1
26 . 1 1 5 5 LEU HB2 H 1 1.030 0.012 . 2 . . . . 2 LEU HB2 . 17062 1
27 . 1 1 5 5 LEU HB3 H 1 1.662 0.013 . 2 . . . . 2 LEU HB3 . 17062 1
28 . 1 1 5 5 LEU HD11 H 1 0.658 0.013 . 2 . . . . 2 LEU HD11 . 17062 1
29 . 1 1 5 5 LEU HD12 H 1 0.658 0.013 . 2 . . . . 2 LEU HD12 . 17062 1
30 . 1 1 5 5 LEU HD13 H 1 0.658 0.013 . 2 . . . . 2 LEU HD13 . 17062 1
31 . 1 1 5 5 LEU HD21 H 1 0.852 0.004 . 2 . . . . 2 LEU HD21 . 17062 1
32 . 1 1 5 5 LEU HD22 H 1 0.852 0.004 . 2 . . . . 2 LEU HD22 . 17062 1
33 . 1 1 5 5 LEU HD23 H 1 0.852 0.004 . 2 . . . . 2 LEU HD23 . 17062 1
34 . 1 1 5 5 LEU HG H 1 1.328 0.012 . 1 . . . . 2 LEU HG . 17062 1
35 . 1 1 5 5 LEU N N 15 121.691 0.041 . 1 . . . . 2 LEU N . 17062 1
36 . 1 1 6 6 LYS H H 1 9.114 0.012 . 1 . . . . 3 LYS H . 17062 1
37 . 1 1 6 6 LYS HA H 1 4.597 0.014 . 1 . . . . 3 LYS HA . 17062 1
38 . 1 1 6 6 LYS HB2 H 1 1.584 0.018 . 2 . . . . 3 LYS HB2 . 17062 1
39 . 1 1 6 6 LYS HB3 H 1 1.805 0.010 . 2 . . . . 3 LYS HB3 . 17062 1
40 . 1 1 6 6 LYS HD2 H 1 1.565 0.013 . 2 . . . . 3 LYS HD2 . 17062 1
41 . 1 1 6 6 LYS HD3 H 1 2.186 0.010 . 2 . . . . 3 LYS HD3 . 17062 1
42 . 1 1 6 6 LYS HE2 H 1 2.870 0.008 . 1 . . . . 3 LYS HE2 . 17062 1
43 . 1 1 6 6 LYS HG2 H 1 1.324 0.010 . 1 . . . . 3 LYS HG2 . 17062 1
44 . 1 1 6 6 LYS N N 15 130.786 0.022 . 1 . . . . 3 LYS N . 17062 1
45 . 1 1 7 7 GLY H H 1 9.091 0.033 . 1 . . . . 4 GLY H . 17062 1
46 . 1 1 7 7 GLY HA2 H 1 3.799 0.012 . 2 . . . . 4 GLY HA2 . 17062 1
47 . 1 1 7 7 GLY HA3 H 1 4.124 0.013 . 2 . . . . 4 GLY HA3 . 17062 1
48 . 1 1 7 7 GLY N N 15 115.742 0.058 . 1 . . . . 4 GLY N . 17062 1
49 . 1 1 8 8 THR H H 1 8.768 0.013 . 1 . . . . 5 THR H . 17062 1
50 . 1 1 8 8 THR HA H 1 4.348 0.012 . 1 . . . . 5 THR HA . 17062 1
51 . 1 1 8 8 THR HB H 1 4.430 0.015 . 1 . . . . 5 THR HB . 17062 1
52 . 1 1 8 8 THR HG21 H 1 1.268 0.004 . 1 . . . . 5 THR HG21 . 17062 1
53 . 1 1 8 8 THR HG22 H 1 1.268 0.004 . 1 . . . . 5 THR HG22 . 17062 1
54 . 1 1 8 8 THR HG23 H 1 1.268 0.004 . 1 . . . . 5 THR HG23 . 17062 1
55 . 1 1 8 8 THR N N 15 115.710 0.027 . 1 . . . . 5 THR N . 17062 1
56 . 1 1 9 9 GLY H H 1 8.702 0.010 . 1 . . . . 6 GLY H . 17062 1
57 . 1 1 9 9 GLY HA2 H 1 3.844 0.017 . 2 . . . . 6 GLY HA2 . 17062 1
58 . 1 1 9 9 GLY HA3 H 1 4.241 0.015 . 2 . . . . 6 GLY HA3 . 17062 1
59 . 1 1 9 9 GLY N N 15 107.629 0.016 . 1 . . . . 6 GLY N . 17062 1
60 . 1 1 10 10 GLU H H 1 8.750 0.016 . 1 . . . . 7 GLU H . 17062 1
61 . 1 1 10 10 GLU HA H 1 4.210 0.010 . 1 . . . . 7 GLU HA . 17062 1
62 . 1 1 10 10 GLU HB2 H 1 2.084 0.010 . 1 . . . . 7 GLU HB2 . 17062 1
63 . 1 1 10 10 GLU HG2 H 1 2.329 0.012 . 2 . . . . 7 GLU HG2 . 17062 1
64 . 1 1 10 10 GLU HG3 H 1 2.394 0.019 . 2 . . . . 7 GLU HG3 . 17062 1
65 . 1 1 10 10 GLU N N 15 122.787 0.039 . 1 . . . . 7 GLU N . 17062 1
66 . 1 1 11 11 ASN H H 1 8.289 0.009 . 1 . . . . 8 ASN H . 17062 1
67 . 1 1 11 11 ASN HA H 1 4.852 0.018 . 1 . . . . 8 ASN HA . 17062 1
68 . 1 1 11 11 ASN HB2 H 1 2.906 0.022 . 1 . . . . 8 ASN HB2 . 17062 1
69 . 1 1 11 11 ASN HB3 H 1 2.876 0.018 . 1 . . . . 8 ASN HB3 . 17062 1
70 . 1 1 11 11 ASN HD21 H 1 7.629 0.009 . 1 . . . . 8 ASN HD21 . 17062 1
71 . 1 1 11 11 ASN HD22 H 1 6.493 0.013 . 1 . . . . 8 ASN HD22 . 17062 1
72 . 1 1 11 11 ASN N N 15 113.510 0.022 . 1 . . . . 8 ASN N . 17062 1
73 . 1 1 11 11 ASN ND2 N 15 111.920 0.056 . 1 . . . . 8 ASN ND2 . 17062 1
74 . 1 1 12 12 TYR H H 1 7.520 0.018 . 1 . . . . 9 TYR H . 17062 1
75 . 1 1 12 12 TYR HA H 1 4.389 0.013 . 1 . . . . 9 TYR HA . 17062 1
76 . 1 1 12 12 TYR HB2 H 1 3.056 0.018 . 2 . . . . 9 TYR HB2 . 17062 1
77 . 1 1 12 12 TYR HB3 H 1 3.332 0.015 . 2 . . . . 9 TYR HB3 . 17062 1
78 . 1 1 12 12 TYR HD1 H 1 7.155 0.008 . 3 . . . . 9 TYR HD1 . 17062 1
79 . 1 1 12 12 TYR HD2 H 1 7.155 0.008 . 3 . . . . 9 TYR HD2 . 17062 1
80 . 1 1 12 12 TYR HE1 H 1 6.838 0.011 . 3 . . . . 9 TYR HE1 . 17062 1
81 . 1 1 12 12 TYR HE2 H 1 6.838 0.011 . 3 . . . . 9 TYR HE2 . 17062 1
82 . 1 1 12 12 TYR N N 15 120.230 0.068 . 1 . . . . 9 TYR N . 17062 1
83 . 1 1 13 13 ARG H H 1 8.527 0.029 . 1 . . . . 10 ARG H . 17062 1
84 . 1 1 13 13 ARG HA H 1 4.242 0.012 . 1 . . . . 10 ARG HA . 17062 1
85 . 1 1 13 13 ARG HB2 H 1 1.549 0.011 . 2 . . . . 10 ARG HB2 . 17062 1
86 . 1 1 13 13 ARG HB3 H 1 1.983 0.012 . 2 . . . . 10 ARG HB3 . 17062 1
87 . 1 1 13 13 ARG HD2 H 1 3.003 0.017 . 2 . . . . 10 ARG HD2 . 17062 1
88 . 1 1 13 13 ARG HD3 H 1 3.214 0.016 . 2 . . . . 10 ARG HD3 . 17062 1
89 . 1 1 13 13 ARG HE H 1 7.681 0.003 . 1 . . . . 10 ARG HE . 17062 1
90 . 1 1 13 13 ARG HG2 H 1 1.317 0.012 . 1 . . . . 10 ARG HG2 . 17062 1
91 . 1 1 13 13 ARG N N 15 128.678 0.031 . 1 . . . . 10 ARG N . 17062 1
92 . 1 1 13 13 ARG NE N 15 115.603 0.017 . 1 . . . . 10 ARG NE . 17062 1
93 . 1 1 14 14 GLY H H 1 4.465 0.007 . 1 . . . . 11 GLY H . 17062 1
94 . 1 1 14 14 GLY HA2 H 1 3.475 0.013 . 2 . . . . 11 GLY HA2 . 17062 1
95 . 1 1 14 14 GLY HA3 H 1 4.226 0.025 . 2 . . . . 11 GLY HA3 . 17062 1
96 . 1 1 14 14 GLY N N 15 104.578 0.000 . 1 . . . . 11 GLY N . 17062 1
97 . 1 1 15 15 ASN H H 1 7.986 0.012 . 1 . . . . 12 ASN H . 17062 1
98 . 1 1 15 15 ASN HA H 1 3.866 0.010 . 1 . . . . 12 ASN HA . 17062 1
99 . 1 1 15 15 ASN HB2 H 1 2.547 0.013 . 1 . . . . 12 ASN HB2 . 17062 1
100 . 1 1 15 15 ASN HB3 H 1 2.350 0.015 . 1 . . . . 12 ASN HB3 . 17062 1
101 . 1 1 15 15 ASN HD21 H 1 7.828 0.007 . 1 . . . . 12 ASN HD21 . 17062 1
102 . 1 1 15 15 ASN HD22 H 1 7.090 0.022 . 1 . . . . 12 ASN HD22 . 17062 1
103 . 1 1 15 15 ASN N N 15 114.453 0.028 . 1 . . . . 12 ASN N . 17062 1
104 . 1 1 15 15 ASN ND2 N 15 111.056 0.045 . 1 . . . . 12 ASN ND2 . 17062 1
105 . 1 1 16 16 VAL H H 1 7.429 0.009 . 1 . . . . 13 VAL H . 17062 1
106 . 1 1 16 16 VAL HA H 1 3.788 0.006 . 1 . . . . 13 VAL HA . 17062 1
107 . 1 1 16 16 VAL HB H 1 2.071 0.007 . 1 . . . . 13 VAL HB . 17062 1
108 . 1 1 16 16 VAL HG11 H 1 1.154 0.006 . 2 . . . . 13 VAL HG11 . 17062 1
109 . 1 1 16 16 VAL HG12 H 1 1.154 0.006 . 2 . . . . 13 VAL HG12 . 17062 1
110 . 1 1 16 16 VAL HG13 H 1 1.154 0.006 . 2 . . . . 13 VAL HG13 . 17062 1
111 . 1 1 16 16 VAL HG21 H 1 1.337 0.008 . 2 . . . . 13 VAL HG21 . 17062 1
112 . 1 1 16 16 VAL HG22 H 1 1.337 0.008 . 2 . . . . 13 VAL HG22 . 17062 1
113 . 1 1 16 16 VAL HG23 H 1 1.337 0.008 . 2 . . . . 13 VAL HG23 . 17062 1
114 . 1 1 16 16 VAL N N 15 121.422 0.047 . 1 . . . . 13 VAL N . 17062 1
115 . 1 1 17 17 ALA H H 1 8.706 0.014 . 1 . . . . 14 ALA H . 17062 1
116 . 1 1 17 17 ALA HA H 1 5.117 0.012 . 1 . . . . 14 ALA HA . 17062 1
117 . 1 1 17 17 ALA HB1 H 1 1.385 0.011 . 1 . . . . 14 ALA HB1 . 17062 1
118 . 1 1 17 17 ALA HB2 H 1 1.385 0.011 . 1 . . . . 14 ALA HB2 . 17062 1
119 . 1 1 17 17 ALA HB3 H 1 1.385 0.011 . 1 . . . . 14 ALA HB3 . 17062 1
120 . 1 1 17 17 ALA N N 15 131.747 0.044 . 1 . . . . 14 ALA N . 17062 1
121 . 1 1 18 18 VAL H H 1 7.400 0.011 . 1 . . . . 15 VAL H . 17062 1
122 . 1 1 18 18 VAL HA H 1 5.289 0.012 . 1 . . . . 15 VAL HA . 17062 1
123 . 1 1 18 18 VAL HB H 1 1.890 0.010 . 1 . . . . 15 VAL HB . 17062 1
124 . 1 1 18 18 VAL HG11 H 1 0.922 0.015 . 2 . . . . 15 VAL HG11 . 17062 1
125 . 1 1 18 18 VAL HG12 H 1 0.922 0.015 . 2 . . . . 15 VAL HG12 . 17062 1
126 . 1 1 18 18 VAL HG13 H 1 0.922 0.015 . 2 . . . . 15 VAL HG13 . 17062 1
127 . 1 1 18 18 VAL HG21 H 1 0.956 0.016 . 2 . . . . 15 VAL HG21 . 17062 1
128 . 1 1 18 18 VAL HG22 H 1 0.956 0.016 . 2 . . . . 15 VAL HG22 . 17062 1
129 . 1 1 18 18 VAL HG23 H 1 0.956 0.016 . 2 . . . . 15 VAL HG23 . 17062 1
130 . 1 1 18 18 VAL N N 15 117.367 0.041 . 1 . . . . 15 VAL N . 17062 1
131 . 1 1 19 19 THR H H 1 8.893 0.023 . 1 . . . . 16 THR H . 17062 1
132 . 1 1 19 19 THR HA H 1 4.738 0.010 . 1 . . . . 16 THR HA . 17062 1
133 . 1 1 19 19 THR HB H 1 4.746 0.006 . 1 . . . . 16 THR HB . 17062 1
134 . 1 1 19 19 THR HG21 H 1 1.256 0.009 . 1 . . . . 16 THR HG21 . 17062 1
135 . 1 1 19 19 THR HG22 H 1 1.256 0.009 . 1 . . . . 16 THR HG22 . 17062 1
136 . 1 1 19 19 THR HG23 H 1 1.256 0.009 . 1 . . . . 16 THR HG23 . 17062 1
137 . 1 1 19 19 THR N N 15 113.667 0.028 . 1 . . . . 16 THR N . 17062 1
138 . 1 1 20 20 VAL H H 1 8.939 0.012 . 1 . . . . 17 VAL H . 17062 1
139 . 1 1 20 20 VAL HA H 1 3.893 0.008 . 1 . . . . 17 VAL HA . 17062 1
140 . 1 1 20 20 VAL HB H 1 2.000 0.011 . 1 . . . . 17 VAL HB . 17062 1
141 . 1 1 20 20 VAL HG11 H 1 0.956 0.012 . 2 . . . . 17 VAL HG11 . 17062 1
142 . 1 1 20 20 VAL HG12 H 1 0.956 0.012 . 2 . . . . 17 VAL HG12 . 17062 1
143 . 1 1 20 20 VAL HG13 H 1 0.956 0.012 . 2 . . . . 17 VAL HG13 . 17062 1
144 . 1 1 20 20 VAL HG21 H 1 0.971 0.013 . 2 . . . . 17 VAL HG21 . 17062 1
145 . 1 1 20 20 VAL HG22 H 1 0.971 0.013 . 2 . . . . 17 VAL HG22 . 17062 1
146 . 1 1 20 20 VAL HG23 H 1 0.971 0.013 . 2 . . . . 17 VAL HG23 . 17062 1
147 . 1 1 20 20 VAL N N 15 116.929 0.040 . 1 . . . . 17 VAL N . 17062 1
148 . 1 1 21 21 SER H H 1 7.750 0.047 . 1 . . . . 18 SER H . 17062 1
149 . 1 1 21 21 SER HA H 1 4.528 0.007 . 1 . . . . 18 SER HA . 17062 1
150 . 1 1 21 21 SER HB2 H 1 3.723 0.011 . 2 . . . . 18 SER HB2 . 17062 1
151 . 1 1 21 21 SER HB3 H 1 3.970 0.019 . 2 . . . . 18 SER HB3 . 17062 1
152 . 1 1 21 21 SER N N 15 113.560 0.038 . 1 . . . . 18 SER N . 17062 1
153 . 1 1 22 22 GLY H H 1 8.048 0.007 . 1 . . . . 19 GLY H . 17062 1
154 . 1 1 22 22 GLY HA2 H 1 3.466 0.012 . 2 . . . . 19 GLY HA2 . 17062 1
155 . 1 1 22 22 GLY HA3 H 1 4.052 0.011 . 2 . . . . 19 GLY HA3 . 17062 1
156 . 1 1 22 22 GLY N N 15 108.268 0.026 . 1 . . . . 19 GLY N . 17062 1
157 . 1 1 23 23 HIS H H 1 7.184 0.019 . 1 . . . . 20 HIS H . 17062 1
158 . 1 1 23 23 HIS HA H 1 4.742 0.014 . 1 . . . . 20 HIS HA . 17062 1
159 . 1 1 23 23 HIS HB2 H 1 3.146 0.023 . 2 . . . . 20 HIS HB2 . 17062 1
160 . 1 1 23 23 HIS HB3 H 1 3.225 0.017 . 2 . . . . 20 HIS HB3 . 17062 1
161 . 1 1 23 23 HIS HD1 H 1 6.601 0.010 . 1 . . . . 20 HIS HD1 . 17062 1
162 . 1 1 23 23 HIS HD2 H 1 7.148 0.009 . 1 . . . . 20 HIS HD2 . 17062 1
163 . 1 1 23 23 HIS HE1 H 1 7.867 0.002 . 1 . . . . 20 HIS HE1 . 17062 1
164 . 1 1 23 23 HIS N N 15 118.046 0.029 . 1 . . . . 20 HIS N . 17062 1
165 . 1 1 23 23 HIS ND1 N 15 131.269 0.014 . 1 . . . . 20 HIS ND1 . 17062 1
166 . 1 1 24 24 THR H H 1 9.277 0.027 . 1 . . . . 21 THR H . 17062 1
167 . 1 1 24 24 THR HA H 1 4.344 0.011 . 1 . . . . 21 THR HA . 17062 1
168 . 1 1 24 24 THR HB H 1 4.195 0.008 . 1 . . . . 21 THR HB . 17062 1
169 . 1 1 24 24 THR HG21 H 1 1.410 0.008 . 1 . . . . 21 THR HG21 . 17062 1
170 . 1 1 24 24 THR HG22 H 1 1.410 0.008 . 1 . . . . 21 THR HG22 . 17062 1
171 . 1 1 24 24 THR HG23 H 1 1.410 0.008 . 1 . . . . 21 THR HG23 . 17062 1
172 . 1 1 24 24 THR N N 15 119.926 0.024 . 1 . . . . 21 THR N . 17062 1
173 . 1 1 25 25 CYS H H 1 7.883 0.043 . 1 . . . . 22 CYS H . 17062 1
174 . 1 1 25 25 CYS HA H 1 4.878 0.031 . 1 . . . . 22 CYS HA . 17062 1
175 . 1 1 25 25 CYS HB2 H 1 2.694 0.010 . 2 . . . . 22 CYS HB2 . 17062 1
176 . 1 1 25 25 CYS HB3 H 1 2.992 0.019 . 2 . . . . 22 CYS HB3 . 17062 1
177 . 1 1 25 25 CYS N N 15 123.889 0.025 . 1 . . . . 22 CYS N . 17062 1
178 . 1 1 26 26 GLN H H 1 9.537 0.019 . 1 . . . . 23 GLN H . 17062 1
179 . 1 1 26 26 GLN HA H 1 4.054 0.008 . 1 . . . . 23 GLN HA . 17062 1
180 . 1 1 26 26 GLN HB2 H 1 1.103 0.016 . 2 . . . . 23 GLN HB2 . 17062 1
181 . 1 1 26 26 GLN HB3 H 1 1.760 0.011 . 2 . . . . 23 GLN HB3 . 17062 1
182 . 1 1 26 26 GLN HE21 H 1 5.948 0.006 . 1 . . . . 23 GLN HE21 . 17062 1
183 . 1 1 26 26 GLN HE22 H 1 7.580 0.017 . 1 . . . . 23 GLN HE22 . 17062 1
184 . 1 1 26 26 GLN HG2 H 1 2.543 0.015 . 1 . . . . 23 GLN HG2 . 17062 1
185 . 1 1 26 26 GLN N N 15 127.196 0.034 . 1 . . . . 23 GLN N . 17062 1
186 . 1 1 26 26 GLN NE2 N 15 108.927 0.042 . 1 . . . . 23 GLN NE2 . 17062 1
187 . 1 1 27 27 HIS H H 1 9.166 0.013 . 1 . . . . 24 HIS H . 17062 1
188 . 1 1 27 27 HIS HA H 1 3.970 0.011 . 1 . . . . 24 HIS HA . 17062 1
189 . 1 1 27 27 HIS HB2 H 1 2.968 0.019 . 2 . . . . 24 HIS HB2 . 17062 1
190 . 1 1 27 27 HIS HB3 H 1 3.052 0.015 . 2 . . . . 24 HIS HB3 . 17062 1
191 . 1 1 27 27 HIS HD1 H 1 7.882 0.017 . 1 . . . . 24 HIS HD1 . 17062 1
192 . 1 1 27 27 HIS HD2 H 1 7.493 0.017 . 1 . . . . 24 HIS HD2 . 17062 1
193 . 1 1 27 27 HIS HE2 H 1 7.044 0.019 . 1 . . . . 24 HIS HE2 . 17062 1
194 . 1 1 27 27 HIS N N 15 127.381 0.060 . 1 . . . . 24 HIS N . 17062 1
195 . 1 1 28 28 TRP H H 1 7.730 0.010 . 1 . . . . 25 TRP H . 17062 1
196 . 1 1 28 28 TRP HA H 1 4.324 0.018 . 1 . . . . 25 TRP HA . 17062 1
197 . 1 1 28 28 TRP HB2 H 1 3.147 0.016 . 2 . . . . 25 TRP HB2 . 17062 1
198 . 1 1 28 28 TRP HB3 H 1 3.856 0.014 . 2 . . . . 25 TRP HB3 . 17062 1
199 . 1 1 28 28 TRP HD1 H 1 7.013 0.010 . 1 . . . . 25 TRP HD1 . 17062 1
200 . 1 1 28 28 TRP HE1 H 1 11.556 0.004 . 1 . . . . 25 TRP HE1 . 17062 1
201 . 1 1 28 28 TRP HE3 H 1 8.306 0.015 . 1 . . . . 25 TRP HE3 . 17062 1
202 . 1 1 28 28 TRP HH2 H 1 4.895 0.004 . 1 . . . . 25 TRP HH2 . 17062 1
203 . 1 1 28 28 TRP HZ2 H 1 7.631 0.013 . 1 . . . . 25 TRP HZ2 . 17062 1
204 . 1 1 28 28 TRP HZ3 H 1 6.285 0.007 . 1 . . . . 25 TRP HZ3 . 17062 1
205 . 1 1 28 28 TRP N N 15 124.858 0.019 . 1 . . . . 25 TRP N . 17062 1
206 . 1 1 28 28 TRP NE1 N 15 132.206 0.007 . 1 . . . . 25 TRP NE1 . 17062 1
207 . 1 1 29 29 SER H H 1 8.636 0.006 . 1 . . . . 26 SER H . 17062 1
208 . 1 1 29 29 SER HA H 1 4.459 0.008 . 1 . . . . 26 SER HA . 17062 1
209 . 1 1 29 29 SER HB2 H 1 4.017 0.018 . 2 . . . . 26 SER HB2 . 17062 1
210 . 1 1 29 29 SER HB3 H 1 4.239 0.014 . 2 . . . . 26 SER HB3 . 17062 1
211 . 1 1 29 29 SER N N 15 107.681 0.101 . 1 . . . . 26 SER N . 17062 1
212 . 1 1 30 30 ALA H H 1 7.995 0.022 . 1 . . . . 27 ALA H . 17062 1
213 . 1 1 30 30 ALA HA H 1 4.727 0.011 . 1 . . . . 27 ALA HA . 17062 1
214 . 1 1 30 30 ALA HB1 H 1 1.684 0.012 . 1 . . . . 27 ALA HB1 . 17062 1
215 . 1 1 30 30 ALA HB2 H 1 1.684 0.012 . 1 . . . . 27 ALA HB2 . 17062 1
216 . 1 1 30 30 ALA HB3 H 1 1.684 0.012 . 1 . . . . 27 ALA HB3 . 17062 1
217 . 1 1 30 30 ALA N N 15 125.091 0.022 . 1 . . . . 27 ALA N . 17062 1
218 . 1 1 31 31 GLN H H 1 8.529 0.007 . 1 . . . . 28 GLN H . 17062 1
219 . 1 1 31 31 GLN HA H 1 4.499 0.015 . 1 . . . . 28 GLN HA . 17062 1
220 . 1 1 31 31 GLN HB2 H 1 1.410 0.015 . 2 . . . . 28 GLN HB2 . 17062 1
221 . 1 1 31 31 GLN HB3 H 1 2.716 0.010 . 2 . . . . 28 GLN HB3 . 17062 1
222 . 1 1 31 31 GLN HE21 H 1 7.399 0.010 . 1 . . . . 28 GLN HE21 . 17062 1
223 . 1 1 31 31 GLN HE22 H 1 5.879 0.007 . 1 . . . . 28 GLN HE22 . 17062 1
224 . 1 1 31 31 GLN HG2 H 1 2.115 0.012 . 1 . . . . 28 GLN HG2 . 17062 1
225 . 1 1 31 31 GLN N N 15 117.843 0.030 . 1 . . . . 28 GLN N . 17062 1
226 . 1 1 31 31 GLN NE2 N 15 112.764 0.054 . 1 . . . . 28 GLN NE2 . 17062 1
227 . 1 1 32 32 THR H H 1 6.822 0.012 . 1 . . . . 29 THR H . 17062 1
228 . 1 1 32 32 THR HA H 1 4.347 0.008 . 1 . . . . 29 THR HA . 17062 1
229 . 1 1 32 32 THR HB H 1 3.882 0.011 . 1 . . . . 29 THR HB . 17062 1
230 . 1 1 32 32 THR HG21 H 1 1.069 0.006 . 1 . . . . 29 THR HG21 . 17062 1
231 . 1 1 32 32 THR HG22 H 1 1.069 0.006 . 1 . . . . 29 THR HG22 . 17062 1
232 . 1 1 32 32 THR HG23 H 1 1.069 0.006 . 1 . . . . 29 THR HG23 . 17062 1
233 . 1 1 32 32 THR N N 15 111.895 0.070 . 1 . . . . 29 THR N . 17062 1
234 . 1 1 33 33 PRO HA H 1 4.600 0.003 . 1 . . . . 30 PRO HA . 17062 1
235 . 1 1 33 33 PRO HB2 H 1 2.119 0.006 . 1 . . . . 30 PRO HB2 . 17062 1
236 . 1 1 33 33 PRO HD2 H 1 3.245 0.009 . 2 . . . . 30 PRO HD2 . 17062 1
237 . 1 1 33 33 PRO HD3 H 1 3.952 0.009 . 2 . . . . 30 PRO HD3 . 17062 1
238 . 1 1 33 33 PRO HG2 H 1 1.406 0.013 . 2 . . . . 30 PRO HG2 . 17062 1
239 . 1 1 33 33 PRO HG3 H 1 1.519 0.005 . 2 . . . . 30 PRO HG3 . 17062 1
240 . 1 1 34 34 HIS H H 1 8.253 0.026 . 1 . . . . 31 HIS H . 17062 1
241 . 1 1 34 34 HIS HA H 1 5.001 0.004 . 1 . . . . 31 HIS HA . 17062 1
242 . 1 1 34 34 HIS HB2 H 1 2.841 0.025 . 2 . . . . 31 HIS HB2 . 17062 1
243 . 1 1 34 34 HIS HB3 H 1 2.914 0.017 . 2 . . . . 31 HIS HB3 . 17062 1
244 . 1 1 34 34 HIS HD2 H 1 7.171 0.010 . 1 . . . . 31 HIS HD2 . 17062 1
245 . 1 1 34 34 HIS HE1 H 1 8.059 0.007 . 1 . . . . 31 HIS HE1 . 17062 1
246 . 1 1 34 34 HIS N N 15 120.920 0.063 . 1 . . . . 31 HIS N . 17062 1
247 . 1 1 35 35 THR H H 1 8.662 0.011 . 1 . . . . 32 THR H . 17062 1
248 . 1 1 35 35 THR HA H 1 4.740 0.012 . 1 . . . . 32 THR HA . 17062 1
249 . 1 1 35 35 THR HB H 1 4.271 0.014 . 1 . . . . 32 THR HB . 17062 1
250 . 1 1 35 35 THR HG21 H 1 1.390 0.010 . 1 . . . . 32 THR HG21 . 17062 1
251 . 1 1 35 35 THR HG22 H 1 1.390 0.010 . 1 . . . . 32 THR HG22 . 17062 1
252 . 1 1 35 35 THR HG23 H 1 1.390 0.010 . 1 . . . . 32 THR HG23 . 17062 1
253 . 1 1 35 35 THR N N 15 117.521 0.012 . 1 . . . . 32 THR N . 17062 1
254 . 1 1 36 36 HIS H H 1 9.603 0.020 . 1 . . . . 33 HIS H . 17062 1
255 . 1 1 36 36 HIS HA H 1 4.818 0.028 . 1 . . . . 33 HIS HA . 17062 1
256 . 1 1 36 36 HIS HB2 H 1 2.699 0.017 . 2 . . . . 33 HIS HB2 . 17062 1
257 . 1 1 36 36 HIS HB3 H 1 3.145 0.018 . 2 . . . . 33 HIS HB3 . 17062 1
258 . 1 1 36 36 HIS HD2 H 1 6.843 0.007 . 1 . . . . 33 HIS HD2 . 17062 1
259 . 1 1 36 36 HIS HE1 H 1 8.282 0.014 . 1 . . . . 33 HIS HE1 . 17062 1
260 . 1 1 36 36 HIS N N 15 122.270 0.028 . 1 . . . . 33 HIS N . 17062 1
261 . 1 1 37 37 ASN H H 1 8.838 0.039 . 1 . . . . 34 ASN H . 17062 1
262 . 1 1 37 37 ASN HA H 1 5.002 0.005 . 1 . . . . 34 ASN HA . 17062 1
263 . 1 1 37 37 ASN HB2 H 1 2.796 0.018 . 2 . . . . 34 ASN HB2 . 17062 1
264 . 1 1 37 37 ASN HB3 H 1 3.238 0.018 . 2 . . . . 34 ASN HB3 . 17062 1
265 . 1 1 37 37 ASN HD21 H 1 7.076 0.006 . 1 . . . . 34 ASN HD21 . 17062 1
266 . 1 1 37 37 ASN HD22 H 1 7.173 0.016 . 1 . . . . 34 ASN HD22 . 17062 1
267 . 1 1 37 37 ASN N N 15 117.607 0.034 . 1 . . . . 34 ASN N . 17062 1
268 . 1 1 37 37 ASN ND2 N 15 112.414 0.010 . 1 . . . . 34 ASN ND2 . 17062 1
269 . 1 1 38 38 ARG H H 1 8.464 0.008 . 1 . . . . 35 ARG H . 17062 1
270 . 1 1 38 38 ARG HA H 1 4.194 0.016 . 1 . . . . 35 ARG HA . 17062 1
271 . 1 1 38 38 ARG HB2 H 1 1.892 0.017 . 2 . . . . 35 ARG HB2 . 17062 1
272 . 1 1 38 38 ARG HB3 H 1 2.240 0.009 . 2 . . . . 35 ARG HB3 . 17062 1
273 . 1 1 38 38 ARG HD2 H 1 2.326 0.017 . 2 . . . . 35 ARG HD2 . 17062 1
274 . 1 1 38 38 ARG HD3 H 1 3.407 0.012 . 2 . . . . 35 ARG HD3 . 17062 1
275 . 1 1 38 38 ARG HE H 1 7.290 0.012 . 1 . . . . 35 ARG HE . 17062 1
276 . 1 1 38 38 ARG HG2 H 1 1.411 0.011 . 2 . . . . 35 ARG HG2 . 17062 1
277 . 1 1 38 38 ARG HG3 H 1 1.982 0.011 . 2 . . . . 35 ARG HG3 . 17062 1
278 . 1 1 38 38 ARG N N 15 119.984 0.061 . 1 . . . . 35 ARG N . 17062 1
279 . 1 1 38 38 ARG NE N 15 115.603 0.032 . 1 . . . . 35 ARG NE . 17062 1
280 . 1 1 39 39 THR H H 1 7.344 0.008 . 1 . . . . 36 THR H . 17062 1
281 . 1 1 39 39 THR HA H 1 5.003 0.011 . 1 . . . . 36 THR HA . 17062 1
282 . 1 1 39 39 THR HB H 1 4.718 0.011 . 1 . . . . 36 THR HB . 17062 1
283 . 1 1 39 39 THR HG21 H 1 1.099 0.013 . 1 . . . . 36 THR HG21 . 17062 1
284 . 1 1 39 39 THR HG22 H 1 1.099 0.013 . 1 . . . . 36 THR HG22 . 17062 1
285 . 1 1 39 39 THR HG23 H 1 1.099 0.013 . 1 . . . . 36 THR HG23 . 17062 1
286 . 1 1 39 39 THR N N 15 104.936 0.055 . 1 . . . . 36 THR N . 17062 1
287 . 1 1 40 40 PRO HA H 1 4.293 0.011 . 1 . . . . 37 PRO HA . 17062 1
288 . 1 1 40 40 PRO HB2 H 1 1.905 0.016 . 2 . . . . 37 PRO HB2 . 17062 1
289 . 1 1 40 40 PRO HB3 H 1 2.464 0.011 . 2 . . . . 37 PRO HB3 . 17062 1
290 . 1 1 40 40 PRO HD2 H 1 3.781 0.002 . 2 . . . . 37 PRO HD2 . 17062 1
291 . 1 1 40 40 PRO HD3 H 1 3.974 0.011 . 2 . . . . 37 PRO HD3 . 17062 1
292 . 1 1 40 40 PRO HG2 H 1 2.254 0.010 . 2 . . . . 37 PRO HG2 . 17062 1
293 . 1 1 40 40 PRO HG3 H 1 3.242 0.015 . 2 . . . . 37 PRO HG3 . 17062 1
294 . 1 1 41 41 GLU H H 1 8.368 0.026 . 1 . . . . 38 GLU H . 17062 1
295 . 1 1 41 41 GLU HA H 1 3.971 0.007 . 1 . . . . 38 GLU HA . 17062 1
296 . 1 1 41 41 GLU HB2 H 1 1.895 0.013 . 2 . . . . 38 GLU HB2 . 17062 1
297 . 1 1 41 41 GLU HB3 H 1 1.975 0.028 . 2 . . . . 38 GLU HB3 . 17062 1
298 . 1 1 41 41 GLU HG2 H 1 2.213 0.012 . 2 . . . . 38 GLU HG2 . 17062 1
299 . 1 1 41 41 GLU HG3 H 1 2.387 0.011 . 2 . . . . 38 GLU HG3 . 17062 1
300 . 1 1 41 41 GLU N N 15 113.254 0.017 . 1 . . . . 38 GLU N . 17062 1
301 . 1 1 42 42 ASN H H 1 7.824 0.015 . 1 . . . . 39 ASN H . 17062 1
302 . 1 1 42 42 ASN HA H 1 4.837 0.016 . 1 . . . . 39 ASN HA . 17062 1
303 . 1 1 42 42 ASN HB2 H 1 2.694 0.013 . 2 . . . . 39 ASN HB2 . 17062 1
304 . 1 1 42 42 ASN HB3 H 1 2.830 0.009 . 2 . . . . 39 ASN HB3 . 17062 1
305 . 1 1 42 42 ASN HD21 H 1 6.980 0.010 . 1 . . . . 39 ASN HD21 . 17062 1
306 . 1 1 42 42 ASN HD22 H 1 7.662 0.003 . 1 . . . . 39 ASN HD22 . 17062 1
307 . 1 1 42 42 ASN N N 15 117.575 0.073 . 1 . . . . 39 ASN N . 17062 1
308 . 1 1 42 42 ASN ND2 N 15 110.986 0.102 . 1 . . . . 39 ASN ND2 . 17062 1
309 . 1 1 43 43 PHE H H 1 7.556 0.012 . 1 . . . . 40 PHE H . 17062 1
310 . 1 1 43 43 PHE HA H 1 4.587 0.010 . 1 . . . . 40 PHE HA . 17062 1
311 . 1 1 43 43 PHE HB2 H 1 2.584 0.013 . 2 . . . . 40 PHE HB2 . 17062 1
312 . 1 1 43 43 PHE HB3 H 1 2.975 0.017 . 2 . . . . 40 PHE HB3 . 17062 1
313 . 1 1 43 43 PHE HD1 H 1 7.341 0.008 . 3 . . . . 40 PHE HD1 . 17062 1
314 . 1 1 43 43 PHE HD2 H 1 7.341 0.008 . 3 . . . . 40 PHE HD2 . 17062 1
315 . 1 1 43 43 PHE HE1 H 1 7.567 0.006 . 3 . . . . 40 PHE HE1 . 17062 1
316 . 1 1 43 43 PHE HE2 H 1 7.567 0.006 . 3 . . . . 40 PHE HE2 . 17062 1
317 . 1 1 43 43 PHE HZ H 1 7.295 0.016 . 1 . . . . 40 PHE HZ . 17062 1
318 . 1 1 43 43 PHE N N 15 116.824 0.023 . 1 . . . . 40 PHE N . 17062 1
319 . 1 1 44 44 PRO HA H 1 4.578 0.013 . 1 . . . . 41 PRO HA . 17062 1
320 . 1 1 44 44 PRO HB2 H 1 2.124 0.009 . 2 . . . . 41 PRO HB2 . 17062 1
321 . 1 1 44 44 PRO HB3 H 1 2.327 0.013 . 2 . . . . 41 PRO HB3 . 17062 1
322 . 1 1 44 44 PRO HD2 H 1 3.297 0.005 . 2 . . . . 41 PRO HD2 . 17062 1
323 . 1 1 44 44 PRO HD3 H 1 3.479 0.003 . 2 . . . . 41 PRO HD3 . 17062 1
324 . 1 1 44 44 PRO HG2 H 1 1.963 0.012 . 2 . . . . 41 PRO HG2 . 17062 1
325 . 1 1 44 44 PRO HG3 H 1 2.026 0.010 . 2 . . . . 41 PRO HG3 . 17062 1
326 . 1 1 45 45 SER H H 1 8.339 0.015 . 1 . . . . 42 SER H . 17062 1
327 . 1 1 45 45 SER HA H 1 4.631 0.017 . 1 . . . . 42 SER HA . 17062 1
328 . 1 1 45 45 SER HB2 H 1 3.899 0.010 . 2 . . . . 42 SER HB2 . 17062 1
329 . 1 1 45 45 SER HB3 H 1 4.145 0.008 . 2 . . . . 42 SER HB3 . 17062 1
330 . 1 1 45 45 SER N N 15 112.310 0.026 . 1 . . . . 42 SER N . 17062 1
331 . 1 1 46 46 LYS H H 1 7.336 0.013 . 1 . . . . 43 LYS H . 17062 1
332 . 1 1 46 46 LYS HA H 1 4.451 0.012 . 1 . . . . 43 LYS HA . 17062 1
333 . 1 1 46 46 LYS HB2 H 1 1.689 0.018 . 2 . . . . 43 LYS HB2 . 17062 1
334 . 1 1 46 46 LYS HB3 H 1 1.929 0.011 . 2 . . . . 43 LYS HB3 . 17062 1
335 . 1 1 46 46 LYS HG2 H 1 1.891 0.008 . 1 . . . . 43 LYS HG2 . 17062 1
336 . 1 1 46 46 LYS N N 15 117.304 0.036 . 1 . . . . 43 LYS N . 17062 1
337 . 1 1 47 47 ASN H H 1 8.052 0.016 . 1 . . . . 44 ASN H . 17062 1
338 . 1 1 47 47 ASN HA H 1 4.156 0.007 . 1 . . . . 44 ASN HA . 17062 1
339 . 1 1 47 47 ASN HB2 H 1 2.705 0.014 . 2 . . . . 44 ASN HB2 . 17062 1
340 . 1 1 47 47 ASN HB3 H 1 2.957 0.013 . 2 . . . . 44 ASN HB3 . 17062 1
341 . 1 1 47 47 ASN HD21 H 1 6.833 0.009 . 1 . . . . 44 ASN HD21 . 17062 1
342 . 1 1 47 47 ASN HD22 H 1 7.884 0.019 . 1 . . . . 44 ASN HD22 . 17062 1
343 . 1 1 47 47 ASN N N 15 114.823 0.034 . 1 . . . . 44 ASN N . 17062 1
344 . 1 1 47 47 ASN ND2 N 15 112.589 0.025 . 1 . . . . 44 ASN ND2 . 17062 1
345 . 1 1 48 48 LEU H H 1 9.091 0.014 . 1 . . . . 45 LEU H . 17062 1
346 . 1 1 48 48 LEU HA H 1 3.478 0.012 . 1 . . . . 45 LEU HA . 17062 1
347 . 1 1 48 48 LEU HB2 H 1 0.476 0.014 . 2 . . . . 45 LEU HB2 . 17062 1
348 . 1 1 48 48 LEU HB3 H 1 1.462 0.015 . 2 . . . . 45 LEU HB3 . 17062 1
349 . 1 1 48 48 LEU HD11 H 1 -0.966 0.008 . 2 . . . . 45 LEU HD11 . 17062 1
350 . 1 1 48 48 LEU HD12 H 1 -0.966 0.008 . 2 . . . . 45 LEU HD12 . 17062 1
351 . 1 1 48 48 LEU HD13 H 1 -0.966 0.008 . 2 . . . . 45 LEU HD13 . 17062 1
352 . 1 1 48 48 LEU HD21 H 1 0.214 0.005 . 2 . . . . 45 LEU HD21 . 17062 1
353 . 1 1 48 48 LEU HD22 H 1 0.214 0.005 . 2 . . . . 45 LEU HD22 . 17062 1
354 . 1 1 48 48 LEU HD23 H 1 0.214 0.005 . 2 . . . . 45 LEU HD23 . 17062 1
355 . 1 1 48 48 LEU HG H 1 0.925 0.008 . 1 . . . . 45 LEU HG . 17062 1
356 . 1 1 48 48 LEU N N 15 122.527 0.017 . 1 . . . . 45 LEU N . 17062 1
357 . 1 1 49 49 ASP H H 1 7.561 0.009 . 1 . . . . 46 ASP H . 17062 1
358 . 1 1 49 49 ASP HA H 1 4.597 0.008 . 1 . . . . 46 ASP HA . 17062 1
359 . 1 1 49 49 ASP HB2 H 1 2.455 0.018 . 2 . . . . 46 ASP HB2 . 17062 1
360 . 1 1 49 49 ASP HB3 H 1 2.704 0.012 . 2 . . . . 46 ASP HB3 . 17062 1
361 . 1 1 49 49 ASP N N 15 123.183 0.026 . 1 . . . . 46 ASP N . 17062 1
362 . 1 1 50 50 GLU H H 1 8.844 0.019 . 1 . . . . 47 GLU H . 17062 1
363 . 1 1 50 50 GLU HA H 1 3.723 0.008 . 1 . . . . 47 GLU HA . 17062 1
364 . 1 1 50 50 GLU HB2 H 1 0.657 0.012 . 2 . . . . 47 GLU HB2 . 17062 1
365 . 1 1 50 50 GLU HB3 H 1 1.242 0.012 . 2 . . . . 47 GLU HB3 . 17062 1
366 . 1 1 50 50 GLU HG2 H 1 2.137 0.020 . 2 . . . . 47 GLU HG2 . 17062 1
367 . 1 1 50 50 GLU HG3 H 1 2.240 0.010 . 2 . . . . 47 GLU HG3 . 17062 1
368 . 1 1 50 50 GLU N N 15 115.419 0.015 . 1 . . . . 47 GLU N . 17062 1
369 . 1 1 51 51 ASN H H 1 7.395 0.006 . 1 . . . . 48 ASN H . 17062 1
370 . 1 1 51 51 ASN HA H 1 4.236 0.014 . 1 . . . . 48 ASN HA . 17062 1
371 . 1 1 51 51 ASN HB2 H 1 2.010 0.006 . 2 . . . . 48 ASN HB2 . 17062 1
372 . 1 1 51 51 ASN HB3 H 1 2.235 0.012 . 2 . . . . 48 ASN HB3 . 17062 1
373 . 1 1 51 51 ASN HD21 H 1 7.490 0.003 . 1 . . . . 48 ASN HD21 . 17062 1
374 . 1 1 51 51 ASN HD22 H 1 6.948 0.012 . 1 . . . . 48 ASN HD22 . 17062 1
375 . 1 1 51 51 ASN N N 15 122.626 0.042 . 1 . . . . 48 ASN N . 17062 1
376 . 1 1 51 51 ASN ND2 N 15 108.342 0.010 . 1 . . . . 48 ASN ND2 . 17062 1
377 . 1 1 52 52 TYR H H 1 7.562 0.016 . 1 . . . . 49 TYR H . 17062 1
378 . 1 1 52 52 TYR HA H 1 4.842 0.008 . 1 . . . . 49 TYR HA . 17062 1
379 . 1 1 52 52 TYR HB2 H 1 2.782 0.016 . 2 . . . . 49 TYR HB2 . 17062 1
380 . 1 1 52 52 TYR HB3 H 1 3.415 0.013 . 2 . . . . 49 TYR HB3 . 17062 1
381 . 1 1 52 52 TYR HD1 H 1 6.919 0.007 . 3 . . . . 49 TYR HD1 . 17062 1
382 . 1 1 52 52 TYR HD2 H 1 6.919 0.007 . 3 . . . . 49 TYR HD2 . 17062 1
383 . 1 1 52 52 TYR HE1 H 1 6.844 0.005 . 3 . . . . 49 TYR HE1 . 17062 1
384 . 1 1 52 52 TYR HE2 H 1 6.844 0.005 . 3 . . . . 49 TYR HE2 . 17062 1
385 . 1 1 52 52 TYR N N 15 114.499 0.016 . 1 . . . . 49 TYR N . 17062 1
386 . 1 1 53 53 CYS H H 1 9.356 0.011 . 1 . . . . 50 CYS H . 17062 1
387 . 1 1 53 53 CYS HA H 1 4.551 0.013 . 1 . . . . 50 CYS HA . 17062 1
388 . 1 1 53 53 CYS HB2 H 1 2.447 0.013 . 2 . . . . 50 CYS HB2 . 17062 1
389 . 1 1 53 53 CYS HB3 H 1 3.485 0.010 . 2 . . . . 50 CYS HB3 . 17062 1
390 . 1 1 53 53 CYS N N 15 118.738 0.040 . 1 . . . . 50 CYS N . 17062 1
391 . 1 1 54 54 ARG H H 1 9.161 0.010 . 1 . . . . 51 ARG H . 17062 1
392 . 1 1 54 54 ARG HA H 1 5.022 0.017 . 1 . . . . 51 ARG HA . 17062 1
393 . 1 1 54 54 ARG HB2 H 1 1.497 0.013 . 2 . . . . 51 ARG HB2 . 17062 1
394 . 1 1 54 54 ARG HB3 H 1 1.880 0.014 . 2 . . . . 51 ARG HB3 . 17062 1
395 . 1 1 54 54 ARG HD2 H 1 3.061 0.013 . 2 . . . . 51 ARG HD2 . 17062 1
396 . 1 1 54 54 ARG HD3 H 1 3.637 0.010 . 2 . . . . 51 ARG HD3 . 17062 1
397 . 1 1 54 54 ARG HE H 1 7.870 0.016 . 1 . . . . 51 ARG HE . 17062 1
398 . 1 1 54 54 ARG HG2 H 1 1.164 0.017 . 1 . . . . 51 ARG HG2 . 17062 1
399 . 1 1 54 54 ARG N N 15 123.892 0.024 . 1 . . . . 51 ARG N . 17062 1
400 . 1 1 54 54 ARG NE N 15 115.685 0.016 . 1 . . . . 51 ARG NE . 17062 1
401 . 1 1 55 55 ASN H H 1 8.613 0.012 . 1 . . . . 52 ASN H . 17062 1
402 . 1 1 55 55 ASN HA H 1 5.609 0.013 . 1 . . . . 52 ASN HA . 17062 1
403 . 1 1 55 55 ASN HB2 H 1 2.054 0.015 . 2 . . . . 52 ASN HB2 . 17062 1
404 . 1 1 55 55 ASN HB3 H 1 2.787 0.015 . 2 . . . . 52 ASN HB3 . 17062 1
405 . 1 1 55 55 ASN HD21 H 1 6.922 0.007 . 1 . . . . 52 ASN HD21 . 17062 1
406 . 1 1 55 55 ASN N N 15 112.798 0.017 . 1 . . . . 52 ASN N . 17062 1
407 . 1 1 55 55 ASN ND2 N 15 106.218 0.048 . 1 . . . . 52 ASN ND2 . 17062 1
408 . 1 1 56 56 PRO HA H 1 4.239 0.016 . 1 . . . . 53 PRO HA . 17062 1
409 . 1 1 56 56 PRO HD2 H 1 2.427 0.007 . 2 . . . . 53 PRO HD2 . 17062 1
410 . 1 1 56 56 PRO HD3 H 1 3.717 0.006 . 2 . . . . 53 PRO HD3 . 17062 1
411 . 1 1 56 56 PRO HG2 H 1 1.015 0.007 . 2 . . . . 53 PRO HG2 . 17062 1
412 . 1 1 56 56 PRO HG3 H 1 1.480 0.019 . 2 . . . . 53 PRO HG3 . 17062 1
413 . 1 1 57 57 ASP H H 1 9.042 0.028 . 1 . . . . 54 ASP H . 17062 1
414 . 1 1 57 57 ASP HA H 1 4.665 0.015 . 1 . . . . 54 ASP HA . 17062 1
415 . 1 1 57 57 ASP HB2 H 1 1.980 0.013 . 2 . . . . 54 ASP HB2 . 17062 1
416 . 1 1 57 57 ASP HB3 H 1 3.023 0.017 . 2 . . . . 54 ASP HB3 . 17062 1
417 . 1 1 57 57 ASP N N 15 116.160 0.047 . 1 . . . . 54 ASP N . 17062 1
418 . 1 1 58 58 GLY H H 1 8.021 0.034 . 1 . . . . 55 GLY H . 17062 1
419 . 1 1 58 58 GLY HA2 H 1 3.844 0.019 . 1 . . . . 55 GLY HA2 . 17062 1
420 . 1 1 58 58 GLY N N 15 109.034 0.012 . 1 . . . . 55 GLY N . 17062 1
421 . 1 1 59 59 LYS H H 1 8.776 0.013 . 1 . . . . 56 LYS H . 17062 1
422 . 1 1 59 59 LYS HA H 1 4.505 0.012 . 1 . . . . 56 LYS HA . 17062 1
423 . 1 1 59 59 LYS HB2 H 1 1.976 0.012 . 2 . . . . 56 LYS HB2 . 17062 1
424 . 1 1 59 59 LYS HB3 H 1 2.550 0.016 . 2 . . . . 56 LYS HB3 . 17062 1
425 . 1 1 59 59 LYS HG2 H 1 0.882 0.013 . 2 . . . . 56 LYS HG2 . 17062 1
426 . 1 1 59 59 LYS HG3 H 1 1.544 0.013 . 2 . . . . 56 LYS HG3 . 17062 1
427 . 1 1 59 59 LYS N N 15 119.384 0.031 . 1 . . . . 56 LYS N . 17062 1
428 . 1 1 60 60 ARG H H 1 8.004 0.008 . 1 . . . . 57 ARG H . 17062 1
429 . 1 1 60 60 ARG HA H 1 4.073 0.009 . 1 . . . . 57 ARG HA . 17062 1
430 . 1 1 60 60 ARG HB2 H 1 1.481 0.011 . 2 . . . . 57 ARG HB2 . 17062 1
431 . 1 1 60 60 ARG HB3 H 1 1.626 0.014 . 2 . . . . 57 ARG HB3 . 17062 1
432 . 1 1 60 60 ARG HD3 H 1 3.085 0.008 . 1 . . . . 57 ARG HD3 . 17062 1
433 . 1 1 60 60 ARG HE H 1 6.983 0.011 . 1 . . . . 57 ARG HE . 17062 1
434 . 1 1 60 60 ARG HG2 H 1 1.700 0.009 . 1 . . . . 57 ARG HG2 . 17062 1
435 . 1 1 60 60 ARG N N 15 116.393 0.042 . 1 . . . . 57 ARG N . 17062 1
436 . 1 1 60 60 ARG NE N 15 114.159 0.030 . 1 . . . . 57 ARG NE . 17062 1
437 . 1 1 61 61 ALA H H 1 7.699 0.012 . 1 . . . . 58 ALA H . 17062 1
438 . 1 1 61 61 ALA HA H 1 4.755 0.011 . 1 . . . . 58 ALA HA . 17062 1
439 . 1 1 61 61 ALA HB1 H 1 1.231 0.010 . 1 . . . . 58 ALA HB1 . 17062 1
440 . 1 1 61 61 ALA HB2 H 1 1.231 0.010 . 1 . . . . 58 ALA HB2 . 17062 1
441 . 1 1 61 61 ALA HB3 H 1 1.231 0.010 . 1 . . . . 58 ALA HB3 . 17062 1
442 . 1 1 61 61 ALA N N 15 118.493 0.023 . 1 . . . . 58 ALA N . 17062 1
443 . 1 1 62 62 PRO HA H 1 4.329 0.018 . 1 . . . . 59 PRO HA . 17062 1
444 . 1 1 62 62 PRO HB2 H 1 1.487 0.021 . 2 . . . . 59 PRO HB2 . 17062 1
445 . 1 1 62 62 PRO HB3 H 1 1.874 0.018 . 2 . . . . 59 PRO HB3 . 17062 1
446 . 1 1 62 62 PRO HD2 H 1 3.415 0.009 . 2 . . . . 59 PRO HD2 . 17062 1
447 . 1 1 62 62 PRO HD3 H 1 3.808 0.006 . 2 . . . . 59 PRO HD3 . 17062 1
448 . 1 1 62 62 PRO HG2 H 1 1.401 0.012 . 2 . . . . 59 PRO HG2 . 17062 1
449 . 1 1 62 62 PRO HG3 H 1 1.987 0.006 . 2 . . . . 59 PRO HG3 . 17062 1
450 . 1 1 63 63 TRP H H 1 9.207 0.016 . 1 . . . . 60 TRP H . 17062 1
451 . 1 1 63 63 TRP HA H 1 5.623 0.012 . 1 . . . . 60 TRP HA . 17062 1
452 . 1 1 63 63 TRP HB2 H 1 3.362 0.012 . 1 . . . . 60 TRP HB2 . 17062 1
453 . 1 1 63 63 TRP HB3 H 1 3.487 0.010 . 1 . . . . 60 TRP HB3 . 17062 1
454 . 1 1 63 63 TRP HD1 H 1 7.890 0.007 . 1 . . . . 60 TRP HD1 . 17062 1
455 . 1 1 63 63 TRP HE1 H 1 10.490 0.022 . 1 . . . . 60 TRP HE1 . 17062 1
456 . 1 1 63 63 TRP HE3 H 1 7.157 0.007 . 1 . . . . 60 TRP HE3 . 17062 1
457 . 1 1 63 63 TRP HH2 H 1 6.769 0.006 . 1 . . . . 60 TRP HH2 . 17062 1
458 . 1 1 63 63 TRP HZ2 H 1 7.375 0.011 . 1 . . . . 60 TRP HZ2 . 17062 1
459 . 1 1 63 63 TRP HZ3 H 1 5.234 0.004 . 1 . . . . 60 TRP HZ3 . 17062 1
460 . 1 1 63 63 TRP N N 15 121.705 0.039 . 1 . . . . 60 TRP N . 17062 1
461 . 1 1 63 63 TRP NE1 N 15 130.229 0.023 . 1 . . . . 60 TRP NE1 . 17062 1
462 . 1 1 64 64 CYS H H 1 8.569 0.010 . 1 . . . . 61 CYS H . 17062 1
463 . 1 1 64 64 CYS HA H 1 4.341 0.008 . 1 . . . . 61 CYS HA . 17062 1
464 . 1 1 64 64 CYS HB2 H 1 2.956 0.036 . 2 . . . . 61 CYS HB2 . 17062 1
465 . 1 1 64 64 CYS HB3 H 1 3.076 0.013 . 2 . . . . 61 CYS HB3 . 17062 1
466 . 1 1 64 64 CYS N N 15 108.801 0.019 . 1 . . . . 61 CYS N . 17062 1
467 . 1 1 65 65 HIS H H 1 7.499 0.014 . 1 . . . . 62 HIS H . 17062 1
468 . 1 1 65 65 HIS HA H 1 5.721 0.017 . 1 . . . . 62 HIS HA . 17062 1
469 . 1 1 65 65 HIS HB2 H 1 2.307 0.011 . 2 . . . . 62 HIS HB2 . 17062 1
470 . 1 1 65 65 HIS HB3 H 1 3.192 0.018 . 2 . . . . 62 HIS HB3 . 17062 1
471 . 1 1 65 65 HIS HD2 H 1 6.571 0.034 . 1 . . . . 62 HIS HD2 . 17062 1
472 . 1 1 65 65 HIS HE1 H 1 7.361 0.011 . 1 . . . . 62 HIS HE1 . 17062 1
473 . 1 1 65 65 HIS N N 15 119.207 0.027 . 1 . . . . 62 HIS N . 17062 1
474 . 1 1 66 66 THR H H 1 7.460 0.013 . 1 . . . . 63 THR H . 17062 1
475 . 1 1 66 66 THR HA H 1 5.614 0.014 . 1 . . . . 63 THR HA . 17062 1
476 . 1 1 66 66 THR HB H 1 4.345 0.010 . 1 . . . . 63 THR HB . 17062 1
477 . 1 1 66 66 THR HG1 H 1 1.260 0.014 . 1 . . . . 63 THR HG1 . 17062 1
478 . 1 1 66 66 THR HG21 H 1 1.020 0.003 . 1 . . . . 63 THR HG21 . 17062 1
479 . 1 1 66 66 THR HG22 H 1 1.020 0.003 . 1 . . . . 63 THR HG22 . 17062 1
480 . 1 1 66 66 THR HG23 H 1 1.020 0.003 . 1 . . . . 63 THR HG23 . 17062 1
481 . 1 1 66 66 THR N N 15 111.832 0.020 . 1 . . . . 63 THR N . 17062 1
482 . 1 1 67 67 THR H H 1 8.493 0.019 . 1 . . . . 64 THR H . 17062 1
483 . 1 1 67 67 THR HA H 1 4.062 0.009 . 1 . . . . 64 THR HA . 17062 1
484 . 1 1 67 67 THR HB H 1 4.628 0.015 . 1 . . . . 64 THR HB . 17062 1
485 . 1 1 67 67 THR HG1 H 1 5.556 0.000 . 1 . . . . 64 THR HG1 . 17062 1
486 . 1 1 67 67 THR HG21 H 1 1.119 0.008 . 1 . . . . 64 THR HG21 . 17062 1
487 . 1 1 67 67 THR HG22 H 1 1.119 0.008 . 1 . . . . 64 THR HG22 . 17062 1
488 . 1 1 67 67 THR HG23 H 1 1.119 0.008 . 1 . . . . 64 THR HG23 . 17062 1
489 . 1 1 67 67 THR N N 15 104.862 0.156 . 1 . . . . 64 THR N . 17062 1
490 . 1 1 68 68 ASN H H 1 8.857 0.031 . 1 . . . . 65 ASN H . 17062 1
491 . 1 1 68 68 ASN HA H 1 4.737 0.008 . 1 . . . . 65 ASN HA . 17062 1
492 . 1 1 68 68 ASN HB2 H 1 2.431 0.017 . 2 . . . . 65 ASN HB2 . 17062 1
493 . 1 1 68 68 ASN HB3 H 1 2.600 0.022 . 2 . . . . 65 ASN HB3 . 17062 1
494 . 1 1 68 68 ASN HD21 H 1 6.851 0.011 . 1 . . . . 65 ASN HD21 . 17062 1
495 . 1 1 68 68 ASN HD22 H 1 7.507 0.013 . 1 . . . . 65 ASN HD22 . 17062 1
496 . 1 1 68 68 ASN N N 15 123.463 0.027 . 1 . . . . 65 ASN N . 17062 1
497 . 1 1 68 68 ASN ND2 N 15 112.292 0.029 . 1 . . . . 65 ASN ND2 . 17062 1
498 . 1 1 69 69 SER H H 1 8.750 0.022 . 1 . . . . 66 SER H . 17062 1
499 . 1 1 69 69 SER HA H 1 4.740 0.007 . 1 . . . . 66 SER HA . 17062 1
500 . 1 1 69 69 SER HB2 H 1 3.719 0.017 . 2 . . . . 66 SER HB2 . 17062 1
501 . 1 1 69 69 SER HB3 H 1 3.989 0.009 . 2 . . . . 66 SER HB3 . 17062 1
502 . 1 1 69 69 SER N N 15 117.662 0.052 . 1 . . . . 66 SER N . 17062 1
503 . 1 1 70 70 GLN H H 1 8.457 0.016 . 1 . . . . 67 GLN H . 17062 1
504 . 1 1 70 70 GLN HA H 1 4.373 0.006 . 1 . . . . 67 GLN HA . 17062 1
505 . 1 1 70 70 GLN HB2 H 1 1.934 0.015 . 2 . . . . 67 GLN HB2 . 17062 1
506 . 1 1 70 70 GLN HB3 H 1 2.234 0.000 . 2 . . . . 67 GLN HB3 . 17062 1
507 . 1 1 70 70 GLN HE21 H 1 6.669 0.004 . 1 . . . . 67 GLN HE21 . 17062 1
508 . 1 1 70 70 GLN HE22 H 1 7.099 0.005 . 1 . . . . 67 GLN HE22 . 17062 1
509 . 1 1 70 70 GLN HG2 H 1 2.351 0.017 . 2 . . . . 67 GLN HG2 . 17062 1
510 . 1 1 70 70 GLN HG3 H 1 2.395 0.011 . 2 . . . . 67 GLN HG3 . 17062 1
511 . 1 1 70 70 GLN N N 15 117.474 0.026 . 1 . . . . 67 GLN N . 17062 1
512 . 1 1 70 70 GLN NE2 N 15 109.707 0.134 . 1 . . . . 67 GLN NE2 . 17062 1
513 . 1 1 71 71 VAL H H 1 7.436 0.028 . 1 . . . . 68 VAL H . 17062 1
514 . 1 1 71 71 VAL HA H 1 4.051 0.009 . 1 . . . . 68 VAL HA . 17062 1
515 . 1 1 71 71 VAL HB H 1 1.508 0.013 . 1 . . . . 68 VAL HB . 17062 1
516 . 1 1 71 71 VAL HG11 H 1 0.456 0.008 . 2 . . . . 68 VAL HG11 . 17062 1
517 . 1 1 71 71 VAL HG12 H 1 0.456 0.008 . 2 . . . . 68 VAL HG12 . 17062 1
518 . 1 1 71 71 VAL HG13 H 1 0.456 0.008 . 2 . . . . 68 VAL HG13 . 17062 1
519 . 1 1 71 71 VAL HG21 H 1 0.502 0.008 . 2 . . . . 68 VAL HG21 . 17062 1
520 . 1 1 71 71 VAL HG22 H 1 0.502 0.008 . 2 . . . . 68 VAL HG22 . 17062 1
521 . 1 1 71 71 VAL HG23 H 1 0.502 0.008 . 2 . . . . 68 VAL HG23 . 17062 1
522 . 1 1 71 71 VAL N N 15 120.461 0.035 . 1 . . . . 68 VAL N . 17062 1
523 . 1 1 72 72 ARG H H 1 8.615 0.014 . 1 . . . . 69 ARG H . 17062 1
524 . 1 1 72 72 ARG HA H 1 2.004 0.014 . 1 . . . . 69 ARG HA . 17062 1
525 . 1 1 72 72 ARG HB2 H 1 1.764 0.022 . 1 . . . . 69 ARG HB2 . 17062 1
526 . 1 1 72 72 ARG HD3 H 1 3.129 0.003 . 1 . . . . 69 ARG HD3 . 17062 1
527 . 1 1 72 72 ARG HE H 1 7.164 0.013 . 1 . . . . 69 ARG HE . 17062 1
528 . 1 1 72 72 ARG HG2 H 1 1.321 0.010 . 1 . . . . 69 ARG HG2 . 17062 1
529 . 1 1 72 72 ARG N N 15 128.301 0.035 . 1 . . . . 69 ARG N . 17062 1
530 . 1 1 72 72 ARG NE N 15 114.701 0.007 . 1 . . . . 69 ARG NE . 17062 1
531 . 1 1 73 73 TRP H H 1 7.359 0.013 . 1 . . . . 70 TRP H . 17062 1
532 . 1 1 73 73 TRP HA H 1 5.308 0.008 . 1 . . . . 70 TRP HA . 17062 1
533 . 1 1 73 73 TRP HB2 H 1 2.857 0.014 . 1 . . . . 70 TRP HB2 . 17062 1
534 . 1 1 73 73 TRP HB3 H 1 3.216 0.011 . 1 . . . . 70 TRP HB3 . 17062 1
535 . 1 1 73 73 TRP HD1 H 1 6.723 0.007 . 1 . . . . 70 TRP HD1 . 17062 1
536 . 1 1 73 73 TRP HE1 H 1 9.835 0.011 . 1 . . . . 70 TRP HE1 . 17062 1
537 . 1 1 73 73 TRP HE3 H 1 6.770 0.012 . 1 . . . . 70 TRP HE3 . 17062 1
538 . 1 1 73 73 TRP HH2 H 1 6.646 0.014 . 1 . . . . 70 TRP HH2 . 17062 1
539 . 1 1 73 73 TRP HZ2 H 1 7.174 0.013 . 1 . . . . 70 TRP HZ2 . 17062 1
540 . 1 1 73 73 TRP HZ3 H 1 5.078 0.004 . 1 . . . . 70 TRP HZ3 . 17062 1
541 . 1 1 73 73 TRP N N 15 108.809 0.027 . 1 . . . . 70 TRP N . 17062 1
542 . 1 1 73 73 TRP NE1 N 15 129.305 0.015 . 1 . . . . 70 TRP NE1 . 17062 1
543 . 1 1 74 74 GLU H H 1 8.576 0.016 . 1 . . . . 71 GLU H . 17062 1
544 . 1 1 74 74 GLU HA H 1 3.671 0.007 . 1 . . . . 71 GLU HA . 17062 1
545 . 1 1 74 74 GLU HB2 H 1 1.777 0.013 . 2 . . . . 71 GLU HB2 . 17062 1
546 . 1 1 74 74 GLU HB3 H 1 2.188 0.013 . 2 . . . . 71 GLU HB3 . 17062 1
547 . 1 1 74 74 GLU HG2 H 1 2.536 0.000 . 2 . . . . 71 GLU HG2 . 17062 1
548 . 1 1 74 74 GLU HG3 H 1 2.604 0.013 . 2 . . . . 71 GLU HG3 . 17062 1
549 . 1 1 74 74 GLU N N 15 117.752 0.025 . 1 . . . . 71 GLU N . 17062 1
550 . 1 1 75 75 TYR H H 1 7.798 0.031 . 1 . . . . 72 TYR H . 17062 1
551 . 1 1 75 75 TYR HA H 1 5.019 0.008 . 1 . . . . 72 TYR HA . 17062 1
552 . 1 1 75 75 TYR HB2 H 1 2.690 0.016 . 2 . . . . 72 TYR HB2 . 17062 1
553 . 1 1 75 75 TYR HB3 H 1 3.371 0.020 . 2 . . . . 72 TYR HB3 . 17062 1
554 . 1 1 75 75 TYR HD1 H 1 7.480 0.006 . 3 . . . . 72 TYR HD1 . 17062 1
555 . 1 1 75 75 TYR HD2 H 1 7.480 0.006 . 3 . . . . 72 TYR HD2 . 17062 1
556 . 1 1 75 75 TYR HE1 H 1 7.107 0.008 . 3 . . . . 72 TYR HE1 . 17062 1
557 . 1 1 75 75 TYR HE2 H 1 7.107 0.008 . 3 . . . . 72 TYR HE2 . 17062 1
558 . 1 1 75 75 TYR N N 15 117.897 0.152 . 1 . . . . 72 TYR N . 17062 1
559 . 1 1 76 76 CYS H H 1 8.726 0.012 . 1 . . . . 73 CYS H . 17062 1
560 . 1 1 76 76 CYS HA H 1 4.862 0.011 . 1 . . . . 73 CYS HA . 17062 1
561 . 1 1 76 76 CYS HB2 H 1 3.075 0.018 . 1 . . . . 73 CYS HB2 . 17062 1
562 . 1 1 76 76 CYS N N 15 116.608 0.014 . 1 . . . . 73 CYS N . 17062 1
563 . 1 1 77 77 LYS H H 1 9.595 0.020 . 1 . . . . 74 LYS H . 17062 1
564 . 1 1 77 77 LYS HA H 1 4.449 0.006 . 1 . . . . 74 LYS HA . 17062 1
565 . 1 1 77 77 LYS HB2 H 1 1.394 0.013 . 2 . . . . 74 LYS HB2 . 17062 1
566 . 1 1 77 77 LYS HB3 H 1 1.890 0.011 . 2 . . . . 74 LYS HB3 . 17062 1
567 . 1 1 77 77 LYS HD2 H 1 1.648 0.012 . 1 . . . . 74 LYS HD2 . 17062 1
568 . 1 1 77 77 LYS HE2 H 1 2.943 0.014 . 1 . . . . 74 LYS HE2 . 17062 1
569 . 1 1 77 77 LYS HG2 H 1 0.658 0.010 . 2 . . . . 74 LYS HG2 . 17062 1
570 . 1 1 77 77 LYS HG3 H 1 1.175 0.013 . 2 . . . . 74 LYS HG3 . 17062 1
571 . 1 1 77 77 LYS N N 15 126.306 0.071 . 1 . . . . 74 LYS N . 17062 1
572 . 1 1 78 78 ILE H H 1 8.339 0.006 . 1 . . . . 75 ILE H . 17062 1
573 . 1 1 78 78 ILE HA H 1 4.512 0.005 . 1 . . . . 75 ILE HA . 17062 1
574 . 1 1 78 78 ILE HB H 1 1.570 0.011 . 1 . . . . 75 ILE HB . 17062 1
575 . 1 1 78 78 ILE HD11 H 1 0.301 0.006 . 1 . . . . 75 ILE HD11 . 17062 1
576 . 1 1 78 78 ILE HD12 H 1 0.301 0.006 . 1 . . . . 75 ILE HD12 . 17062 1
577 . 1 1 78 78 ILE HD13 H 1 0.301 0.006 . 1 . . . . 75 ILE HD13 . 17062 1
578 . 1 1 78 78 ILE HG12 H 1 0.763 0.007 . 2 . . . . 75 ILE HG12 . 17062 1
579 . 1 1 78 78 ILE HG13 H 1 1.051 0.010 . 2 . . . . 75 ILE HG13 . 17062 1
580 . 1 1 78 78 ILE HG21 H 1 0.639 0.010 . 1 . . . . 75 ILE HG21 . 17062 1
581 . 1 1 78 78 ILE HG22 H 1 0.639 0.010 . 1 . . . . 75 ILE HG22 . 17062 1
582 . 1 1 78 78 ILE HG23 H 1 0.639 0.010 . 1 . . . . 75 ILE HG23 . 17062 1
583 . 1 1 78 78 ILE N N 15 128.691 0.040 . 1 . . . . 75 ILE N . 17062 1
584 . 1 1 79 79 PRO HA H 1 3.980 0.016 . 1 . . . . 76 PRO HA . 17062 1
585 . 1 1 79 79 PRO HB2 H 1 1.973 0.015 . 2 . . . . 76 PRO HB2 . 17062 1
586 . 1 1 79 79 PRO HB3 H 1 2.346 0.016 . 2 . . . . 76 PRO HB3 . 17062 1
587 . 1 1 79 79 PRO HD2 H 1 3.727 0.009 . 2 . . . . 76 PRO HD2 . 17062 1
588 . 1 1 79 79 PRO HD3 H 1 3.816 0.013 . 2 . . . . 76 PRO HD3 . 17062 1
589 . 1 1 79 79 PRO HG2 H 1 2.025 0.021 . 2 . . . . 76 PRO HG2 . 17062 1
590 . 1 1 79 79 PRO HG3 H 1 2.130 0.005 . 2 . . . . 76 PRO HG3 . 17062 1
591 . 1 1 80 80 SER H H 1 8.850 0.010 . 1 . . . . 77 SER H . 17062 1
592 . 1 1 80 80 SER HA H 1 4.718 0.013 . 1 . . . . 77 SER HA . 17062 1
593 . 1 1 80 80 SER HB2 H 1 2.679 0.014 . 2 . . . . 77 SER HB2 . 17062 1
594 . 1 1 80 80 SER HB3 H 1 3.387 0.017 . 2 . . . . 77 SER HB3 . 17062 1
595 . 1 1 80 80 SER N N 15 122.923 0.065 . 1 . . . . 77 SER N . 17062 1
596 . 1 1 81 81 CYS H H 1 8.670 0.014 . 1 . . . . 78 CYS H . 17062 1
597 . 1 1 81 81 CYS HA H 1 4.672 0.005 . 1 . . . . 78 CYS HA . 17062 1
598 . 1 1 81 81 CYS HB2 H 1 2.632 0.014 . 2 . . . . 78 CYS HB2 . 17062 1
599 . 1 1 81 81 CYS HB3 H 1 2.783 0.013 . 2 . . . . 78 CYS HB3 . 17062 1
600 . 1 1 81 81 CYS N N 15 121.128 0.087 . 1 . . . . 78 CYS N . 17062 1
601 . 1 1 82 82 ASP H H 1 7.803 0.015 . 1 . . . . 79 ASP H . 17062 1
602 . 1 1 82 82 ASP HA H 1 4.245 0.009 . 1 . . . . 79 ASP HA . 17062 1
603 . 1 1 82 82 ASP HB2 H 1 3.715 0.008 . 2 . . . . 79 ASP HB2 . 17062 1
604 . 1 1 82 82 ASP HB3 H 1 3.862 0.007 . 2 . . . . 79 ASP HB3 . 17062 1
605 . 1 1 82 82 ASP N N 15 120.307 0.138 . 1 . . . . 79 ASP N . 17062 1
stop_
save_