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 17063
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $Sequential_assignment
_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' . . . 17063 1
2 '3D 1H-15N TOCSY' . . . 17063 1
3 '3D 1H-15N NOESY' . . . 17063 1
4 '3D HNHA' . . . 17063 1
6 '2D 1H-1H TOCSY' . . . 17063 1
7 '2D 1H-1H NOESY' . . . 17063 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 2 2 TYR H H 1 8.187 0.007 . 1 . . . . -2 TYR H . 17063 1
2 . 1 1 2 2 TYR HA H 1 4.709 0.003 . 1 . . . . -2 TYR HA . 17063 1
3 . 1 1 2 2 TYR HB2 H 1 2.032 0.011 . 2 . . . . -2 TYR HB2 . 17063 1
4 . 1 1 2 2 TYR HB3 H 1 4.137 0.019 . 2 . . . . -2 TYR HB3 . 17063 1
5 . 1 1 2 2 TYR N N 15 121.889 0.024 . 1 . . . . -2 TYR N . 17063 1
6 . 1 1 3 3 GLN H H 1 8.836 0.015 . 1 . . . . -1 GLN H . 17063 1
7 . 1 1 3 3 GLN HA H 1 4.375 0.023 . 1 . . . . -1 GLN HA . 17063 1
8 . 1 1 3 3 GLN HB2 H 1 1.863 0.015 . 2 . . . . -1 GLN HB2 . 17063 1
9 . 1 1 3 3 GLN HB3 H 1 2.230 0.012 . 2 . . . . -1 GLN HB3 . 17063 1
10 . 1 1 3 3 GLN HE21 H 1 6.677 0.011 . 1 . . . . -1 GLN HE21 . 17063 1
11 . 1 1 3 3 GLN HE22 H 1 7.287 0.003 . 1 . . . . -1 GLN HE22 . 17063 1
12 . 1 1 3 3 GLN N N 15 122.311 0.045 . 1 . . . . -1 GLN N . 17063 1
13 . 1 1 3 3 GLN NE2 N 15 112.114 0.009 . 1 . . . . -1 GLN NE2 . 17063 1
14 . 1 1 4 4 CYS H H 1 7.951 0.010 . 1 . . . . 1 CYS H . 17063 1
15 . 1 1 4 4 CYS HA H 1 4.953 0.006 . 1 . . . . 1 CYS HA . 17063 1
16 . 1 1 4 4 CYS HB2 H 1 3.047 0.016 . 1 . . . . 1 CYS HB2 . 17063 1
17 . 1 1 4 4 CYS N N 15 116.271 0.021 . 1 . . . . 1 CYS N . 17063 1
18 . 1 1 5 5 LEU H H 1 9.294 0.004 . 1 . . . . 2 LEU H . 17063 1
19 . 1 1 5 5 LEU HA H 1 4.299 0.005 . 1 . . . . 2 LEU HA . 17063 1
20 . 1 1 5 5 LEU HB2 H 1 1.042 0.000 . 2 . . . . 2 LEU HB2 . 17063 1
21 . 1 1 5 5 LEU HB3 H 1 1.647 0.000 . 2 . . . . 2 LEU HB3 . 17063 1
22 . 1 1 5 5 LEU HD11 H 1 0.636 0.009 . 1 . . . . 2 LEU HD11 . 17063 1
23 . 1 1 5 5 LEU HD12 H 1 0.636 0.009 . 1 . . . . 2 LEU HD12 . 17063 1
24 . 1 1 5 5 LEU HD13 H 1 0.636 0.009 . 1 . . . . 2 LEU HD13 . 17063 1
25 . 1 1 5 5 LEU HG H 1 1.315 0.000 . 1 . . . . 2 LEU HG . 17063 1
26 . 1 1 5 5 LEU N N 15 121.768 0.030 . 1 . . . . 2 LEU N . 17063 1
27 . 1 1 6 6 LYS H H 1 9.097 0.005 . 1 . . . . 3 LYS H . 17063 1
28 . 1 1 6 6 LYS HA H 1 4.588 0.005 . 1 . . . . 3 LYS HA . 17063 1
29 . 1 1 6 6 LYS HB2 H 1 1.566 0.008 . 2 . . . . 3 LYS HB2 . 17063 1
30 . 1 1 6 6 LYS HB3 H 1 1.794 0.001 . 2 . . . . 3 LYS HB3 . 17063 1
31 . 1 1 6 6 LYS HG2 H 1 1.312 0.011 . 1 . . . . 3 LYS HG2 . 17063 1
32 . 1 1 6 6 LYS N N 15 130.807 0.012 . 1 . . . . 3 LYS N . 17063 1
33 . 1 1 7 7 GLY H H 1 9.087 0.003 . 1 . . . . 4 GLY H . 17063 1
34 . 1 1 7 7 GLY HA2 H 1 3.790 0.010 . 2 . . . . 4 GLY HA2 . 17063 1
35 . 1 1 7 7 GLY HA3 H 1 4.106 0.028 . 2 . . . . 4 GLY HA3 . 17063 1
36 . 1 1 7 7 GLY N N 15 116.180 0.043 . 1 . . . . 4 GLY N . 17063 1
37 . 1 1 8 8 THR H H 1 8.778 0.005 . 1 . . . . 5 THR H . 17063 1
38 . 1 1 8 8 THR HA H 1 4.266 0.001 . 1 . . . . 5 THR HA . 17063 1
39 . 1 1 8 8 THR HG21 H 1 1.290 0.014 . 1 . . . . 5 THR HG21 . 17063 1
40 . 1 1 8 8 THR HG22 H 1 1.290 0.014 . 1 . . . . 5 THR HG22 . 17063 1
41 . 1 1 8 8 THR HG23 H 1 1.290 0.014 . 1 . . . . 5 THR HG23 . 17063 1
42 . 1 1 8 8 THR N N 15 115.838 0.014 . 1 . . . . 5 THR N . 17063 1
43 . 1 1 9 9 GLY H H 1 8.674 0.002 . 1 . . . . 6 GLY H . 17063 1
44 . 1 1 9 9 GLY HA2 H 1 3.863 0.007 . 2 . . . . 6 GLY HA2 . 17063 1
45 . 1 1 9 9 GLY HA3 H 1 4.216 0.018 . 2 . . . . 6 GLY HA3 . 17063 1
46 . 1 1 9 9 GLY N N 15 107.604 0.048 . 1 . . . . 6 GLY N . 17063 1
47 . 1 1 10 10 GLU H H 1 8.669 0.005 . 1 . . . . 7 GLU H . 17063 1
48 . 1 1 10 10 GLU HA H 1 4.237 0.004 . 1 . . . . 7 GLU HA . 17063 1
49 . 1 1 10 10 GLU HB2 H 1 2.077 0.014 . 1 . . . . 7 GLU HB2 . 17063 1
50 . 1 1 10 10 GLU HG2 H 1 2.398 0.000 . 1 . . . . 7 GLU HG2 . 17063 1
51 . 1 1 10 10 GLU N N 15 123.004 0.027 . 1 . . . . 7 GLU N . 17063 1
52 . 1 1 11 11 ASN H H 1 8.259 0.012 . 1 . . . . 8 ASN H . 17063 1
53 . 1 1 11 11 ASN HA H 1 4.758 0.017 . 1 . . . . 8 ASN HA . 17063 1
54 . 1 1 11 11 ASN HB2 H 1 2.906 0.019 . 1 . . . . 8 ASN HB2 . 17063 1
55 . 1 1 11 11 ASN HD21 H 1 7.608 0.003 . 1 . . . . 8 ASN HD21 . 17063 1
56 . 1 1 11 11 ASN HD22 H 1 6.443 0.002 . 1 . . . . 8 ASN HD22 . 17063 1
57 . 1 1 11 11 ASN N N 15 113.404 0.027 . 1 . . . . 8 ASN N . 17063 1
58 . 1 1 11 11 ASN ND2 N 15 111.508 0.009 . 1 . . . . 8 ASN ND2 . 17063 1
59 . 1 1 12 12 TYR H H 1 7.539 0.006 . 1 . . . . 9 TYR H . 17063 1
60 . 1 1 12 12 TYR HA H 1 4.383 0.009 . 1 . . . . 9 TYR HA . 17063 1
61 . 1 1 12 12 TYR HB2 H 1 3.047 0.000 . 2 . . . . 9 TYR HB2 . 17063 1
62 . 1 1 12 12 TYR HB3 H 1 3.325 0.000 . 2 . . . . 9 TYR HB3 . 17063 1
63 . 1 1 12 12 TYR HD1 H 1 7.145 0.003 . 3 . . . . 9 TYR HD1 . 17063 1
64 . 1 1 12 12 TYR HD2 H 1 7.145 0.003 . 3 . . . . 9 TYR HD2 . 17063 1
65 . 1 1 12 12 TYR N N 15 120.064 0.041 . 1 . . . . 9 TYR N . 17063 1
66 . 1 1 13 13 ARG H H 1 8.527 0.005 . 1 . . . . 10 ARG H . 17063 1
67 . 1 1 13 13 ARG HA H 1 4.215 0.003 . 1 . . . . 10 ARG HA . 17063 1
68 . 1 1 13 13 ARG HB2 H 1 1.551 0.000 . 2 . . . . 10 ARG HB2 . 17063 1
69 . 1 1 13 13 ARG HB3 H 1 1.989 0.000 . 2 . . . . 10 ARG HB3 . 17063 1
70 . 1 1 13 13 ARG HE H 1 7.734 0.000 . 1 . . . . 10 ARG HE . 17063 1
71 . 1 1 13 13 ARG HG2 H 1 1.322 0.000 . 1 . . . . 10 ARG HG2 . 17063 1
72 . 1 1 13 13 ARG N N 15 128.911 0.016 . 1 . . . . 10 ARG N . 17063 1
73 . 1 1 13 13 ARG NE N 15 85.312 0.000 . 1 . . . . 10 ARG NE . 17063 1
74 . 1 1 14 14 GLY HA2 H 1 3.479 0.010 . 2 . . . . 11 GLY HA2 . 17063 1
75 . 1 1 14 14 GLY HA3 H 1 4.203 0.000 . 2 . . . . 11 GLY HA3 . 17063 1
76 . 1 1 15 15 ASN H H 1 7.913 0.008 . 1 . . . . 12 ASN H . 17063 1
77 . 1 1 15 15 ASN HA H 1 3.785 0.018 . 1 . . . . 12 ASN HA . 17063 1
78 . 1 1 15 15 ASN HB2 H 1 2.299 0.011 . 2 . . . . 12 ASN HB2 . 17063 1
79 . 1 1 15 15 ASN HB3 H 1 2.543 0.017 . 2 . . . . 12 ASN HB3 . 17063 1
80 . 1 1 15 15 ASN HD21 H 1 7.844 0.006 . 1 . . . . 12 ASN HD21 . 17063 1
81 . 1 1 15 15 ASN HD22 H 1 7.053 0.003 . 1 . . . . 12 ASN HD22 . 17063 1
82 . 1 1 15 15 ASN N N 15 114.433 0.015 . 1 . . . . 12 ASN N . 17063 1
83 . 1 1 15 15 ASN ND2 N 15 110.924 0.039 . 1 . . . . 12 ASN ND2 . 17063 1
84 . 1 1 16 16 VAL H H 1 7.452 0.002 . 1 . . . . 13 VAL H . 17063 1
85 . 1 1 16 16 VAL HA H 1 3.774 0.010 . 1 . . . . 13 VAL HA . 17063 1
86 . 1 1 16 16 VAL HB H 1 2.060 0.008 . 1 . . . . 13 VAL HB . 17063 1
87 . 1 1 16 16 VAL HG11 H 1 1.141 0.000 . 2 . . . . 13 VAL HG11 . 17063 1
88 . 1 1 16 16 VAL HG12 H 1 1.141 0.000 . 2 . . . . 13 VAL HG12 . 17063 1
89 . 1 1 16 16 VAL HG13 H 1 1.141 0.000 . 2 . . . . 13 VAL HG13 . 17063 1
90 . 1 1 16 16 VAL HG21 H 1 1.317 0.024 . 2 . . . . 13 VAL HG21 . 17063 1
91 . 1 1 16 16 VAL HG22 H 1 1.317 0.024 . 2 . . . . 13 VAL HG22 . 17063 1
92 . 1 1 16 16 VAL HG23 H 1 1.317 0.024 . 2 . . . . 13 VAL HG23 . 17063 1
93 . 1 1 16 16 VAL N N 15 121.272 0.031 . 1 . . . . 13 VAL N . 17063 1
94 . 1 1 17 17 ALA H H 1 8.670 0.003 . 1 . . . . 14 ALA H . 17063 1
95 . 1 1 17 17 ALA HA H 1 5.098 0.007 . 1 . . . . 14 ALA HA . 17063 1
96 . 1 1 17 17 ALA HB1 H 1 1.364 0.004 . 1 . . . . 14 ALA HB1 . 17063 1
97 . 1 1 17 17 ALA HB2 H 1 1.364 0.004 . 1 . . . . 14 ALA HB2 . 17063 1
98 . 1 1 17 17 ALA HB3 H 1 1.364 0.004 . 1 . . . . 14 ALA HB3 . 17063 1
99 . 1 1 17 17 ALA N N 15 131.983 0.006 . 1 . . . . 14 ALA N . 17063 1
100 . 1 1 18 18 VAL H H 1 7.365 0.003 . 1 . . . . 15 VAL H . 17063 1
101 . 1 1 18 18 VAL HA H 1 5.287 0.007 . 1 . . . . 15 VAL HA . 17063 1
102 . 1 1 18 18 VAL HB H 1 1.888 0.010 . 1 . . . . 15 VAL HB . 17063 1
103 . 1 1 18 18 VAL HG11 H 1 0.931 0.019 . 2 . . . . 15 VAL HG11 . 17063 1
104 . 1 1 18 18 VAL HG12 H 1 0.931 0.019 . 2 . . . . 15 VAL HG12 . 17063 1
105 . 1 1 18 18 VAL HG13 H 1 0.931 0.019 . 2 . . . . 15 VAL HG13 . 17063 1
106 . 1 1 18 18 VAL HG21 H 1 1.307 0.000 . 2 . . . . 15 VAL HG21 . 17063 1
107 . 1 1 18 18 VAL HG22 H 1 1.307 0.000 . 2 . . . . 15 VAL HG22 . 17063 1
108 . 1 1 18 18 VAL HG23 H 1 1.307 0.000 . 2 . . . . 15 VAL HG23 . 17063 1
109 . 1 1 18 18 VAL N N 15 116.860 0.034 . 1 . . . . 15 VAL N . 17063 1
110 . 1 1 19 19 THR H H 1 8.827 0.006 . 1 . . . . 16 THR H . 17063 1
111 . 1 1 19 19 THR HA H 1 4.701 0.009 . 1 . . . . 16 THR HA . 17063 1
112 . 1 1 19 19 THR HG21 H 1 1.210 0.021 . 1 . . . . 16 THR HG21 . 17063 1
113 . 1 1 19 19 THR HG22 H 1 1.210 0.021 . 1 . . . . 16 THR HG22 . 17063 1
114 . 1 1 19 19 THR HG23 H 1 1.210 0.021 . 1 . . . . 16 THR HG23 . 17063 1
115 . 1 1 19 19 THR N N 15 113.195 0.026 . 1 . . . . 16 THR N . 17063 1
116 . 1 1 20 20 VAL H H 1 8.895 0.004 . 1 . . . . 17 VAL H . 17063 1
117 . 1 1 20 20 VAL HA H 1 3.900 0.023 . 1 . . . . 17 VAL HA . 17063 1
118 . 1 1 20 20 VAL HB H 1 2.025 0.000 . 1 . . . . 17 VAL HB . 17063 1
119 . 1 1 20 20 VAL HG11 H 1 0.970 0.003 . 1 . . . . 17 VAL HG11 . 17063 1
120 . 1 1 20 20 VAL HG12 H 1 0.970 0.003 . 1 . . . . 17 VAL HG12 . 17063 1
121 . 1 1 20 20 VAL HG13 H 1 0.970 0.003 . 1 . . . . 17 VAL HG13 . 17063 1
122 . 1 1 20 20 VAL N N 15 116.341 0.048 . 1 . . . . 17 VAL N . 17063 1
123 . 1 1 21 21 SER H H 1 7.561 0.010 . 1 . . . . 18 SER H . 17063 1
124 . 1 1 21 21 SER HA H 1 4.611 0.015 . 1 . . . . 18 SER HA . 17063 1
125 . 1 1 21 21 SER HB2 H 1 3.813 0.011 . 2 . . . . 18 SER HB2 . 17063 1
126 . 1 1 21 21 SER HB3 H 1 4.074 0.015 . 2 . . . . 18 SER HB3 . 17063 1
127 . 1 1 21 21 SER N N 15 113.199 0.040 . 1 . . . . 18 SER N . 17063 1
128 . 1 1 22 22 GLY H H 1 8.052 0.004 . 1 . . . . 19 GLY H . 17063 1
129 . 1 1 22 22 GLY HA2 H 1 3.877 0.017 . 1 . . . . 19 GLY HA2 . 17063 1
130 . 1 1 22 22 GLY N N 15 108.244 0.020 . 1 . . . . 19 GLY N . 17063 1
131 . 1 1 23 23 HIS H H 1 7.337 0.000 . 1 . . . . 20 HIS H . 17063 1
132 . 1 1 23 23 HIS HA H 1 4.638 0.013 . 1 . . . . 20 HIS HA . 17063 1
133 . 1 1 23 23 HIS HB2 H 1 3.192 0.016 . 2 . . . . 20 HIS HB2 . 17063 1
134 . 1 1 23 23 HIS HB3 H 1 3.282 0.000 . 2 . . . . 20 HIS HB3 . 17063 1
135 . 1 1 23 23 HIS HD1 H 1 6.595 0.014 . 1 . . . . 20 HIS HD1 . 17063 1
136 . 1 1 23 23 HIS N N 15 116.752 0.000 . 1 . . . . 20 HIS N . 17063 1
137 . 1 1 23 23 HIS ND1 N 15 130.465 0.024 . 1 . . . . 20 HIS ND1 . 17063 1
138 . 1 1 24 24 THR H H 1 9.242 0.002 . 1 . . . . 21 THR H . 17063 1
139 . 1 1 24 24 THR HA H 1 4.361 0.010 . 1 . . . . 21 THR HA . 17063 1
140 . 1 1 24 24 THR HB H 1 4.169 0.009 . 1 . . . . 21 THR HB . 17063 1
141 . 1 1 24 24 THR HG21 H 1 1.392 0.011 . 1 . . . . 21 THR HG21 . 17063 1
142 . 1 1 24 24 THR HG22 H 1 1.392 0.011 . 1 . . . . 21 THR HG22 . 17063 1
143 . 1 1 24 24 THR HG23 H 1 1.392 0.011 . 1 . . . . 21 THR HG23 . 17063 1
144 . 1 1 24 24 THR N N 15 119.851 0.077 . 1 . . . . 21 THR N . 17063 1
145 . 1 1 25 25 CYS H H 1 7.904 0.002 . 1 . . . . 22 CYS H . 17063 1
146 . 1 1 25 25 CYS HA H 1 4.921 0.008 . 1 . . . . 22 CYS HA . 17063 1
147 . 1 1 25 25 CYS HB2 H 1 2.707 0.000 . 2 . . . . 22 CYS HB2 . 17063 1
148 . 1 1 25 25 CYS HB3 H 1 3.019 0.000 . 2 . . . . 22 CYS HB3 . 17063 1
149 . 1 1 25 25 CYS N N 15 123.770 0.008 . 1 . . . . 22 CYS N . 17063 1
150 . 1 1 26 26 GLN H H 1 9.501 0.004 . 1 . . . . 23 GLN H . 17063 1
151 . 1 1 26 26 GLN HA H 1 4.041 0.011 . 1 . . . . 23 GLN HA . 17063 1
152 . 1 1 26 26 GLN HB2 H 1 1.097 0.008 . 2 . . . . 23 GLN HB2 . 17063 1
153 . 1 1 26 26 GLN HB3 H 1 1.766 0.000 . 2 . . . . 23 GLN HB3 . 17063 1
154 . 1 1 26 26 GLN HE21 H 1 7.491 0.000 . 1 . . . . 23 GLN HE21 . 17063 1
155 . 1 1 26 26 GLN HG2 H 1 2.532 0.004 . 1 . . . . 23 GLN HG2 . 17063 1
156 . 1 1 26 26 GLN N N 15 127.193 0.034 . 1 . . . . 23 GLN N . 17063 1
157 . 1 1 27 27 HIS H H 1 9.152 0.009 . 1 . . . . 24 HIS H . 17063 1
158 . 1 1 27 27 HIS HA H 1 3.982 0.009 . 1 . . . . 24 HIS HA . 17063 1
159 . 1 1 27 27 HIS HB2 H 1 3.018 0.010 . 1 . . . . 24 HIS HB2 . 17063 1
160 . 1 1 27 27 HIS HD2 H 1 7.181 0.000 . 1 . . . . 24 HIS HD2 . 17063 1
161 . 1 1 27 27 HIS N N 15 127.298 0.017 . 1 . . . . 24 HIS N . 17063 1
162 . 1 1 28 28 TRP H H 1 7.753 0.008 . 1 . . . . 25 TRP H . 17063 1
163 . 1 1 28 28 TRP HB2 H 1 3.118 0.000 . 1 . . . . 25 TRP HB2 . 17063 1
164 . 1 1 28 28 TRP HD1 H 1 6.988 0.004 . 1 . . . . 25 TRP HD1 . 17063 1
165 . 1 1 28 28 TRP HE1 H 1 11.521 0.003 . 1 . . . . 25 TRP HE1 . 17063 1
166 . 1 1 28 28 TRP HZ2 H 1 7.586 0.000 . 1 . . . . 25 TRP HZ2 . 17063 1
167 . 1 1 28 28 TRP N N 15 124.928 0.019 . 1 . . . . 25 TRP N . 17063 1
168 . 1 1 28 28 TRP NE1 N 15 132.106 0.016 . 1 . . . . 25 TRP NE1 . 17063 1
169 . 1 1 29 29 SER H H 1 8.655 0.005 . 1 . . . . 26 SER H . 17063 1
170 . 1 1 29 29 SER HA H 1 4.441 0.016 . 1 . . . . 26 SER HA . 17063 1
171 . 1 1 29 29 SER HB2 H 1 3.994 0.000 . 2 . . . . 26 SER HB2 . 17063 1
172 . 1 1 29 29 SER HB3 H 1 4.243 0.027 . 2 . . . . 26 SER HB3 . 17063 1
173 . 1 1 29 29 SER N N 15 107.828 0.074 . 1 . . . . 26 SER N . 17063 1
174 . 1 1 30 30 ALA H H 1 7.975 0.011 . 1 . . . . 27 ALA H . 17063 1
175 . 1 1 30 30 ALA HA H 1 4.710 0.010 . 1 . . . . 27 ALA HA . 17063 1
176 . 1 1 30 30 ALA HB1 H 1 1.678 0.011 . 1 . . . . 27 ALA HB1 . 17063 1
177 . 1 1 30 30 ALA HB2 H 1 1.678 0.011 . 1 . . . . 27 ALA HB2 . 17063 1
178 . 1 1 30 30 ALA HB3 H 1 1.678 0.011 . 1 . . . . 27 ALA HB3 . 17063 1
179 . 1 1 30 30 ALA N N 15 125.106 0.029 . 1 . . . . 27 ALA N . 17063 1
180 . 1 1 31 31 GLN H H 1 8.517 0.007 . 1 . . . . 28 GLN H . 17063 1
181 . 1 1 31 31 GLN HA H 1 4.477 0.013 . 1 . . . . 28 GLN HA . 17063 1
182 . 1 1 31 31 GLN HB2 H 1 1.129 0.000 . 2 . . . . 28 GLN HB2 . 17063 1
183 . 1 1 31 31 GLN HB3 H 1 1.419 0.009 . 2 . . . . 28 GLN HB3 . 17063 1
184 . 1 1 31 31 GLN HE21 H 1 5.880 0.005 . 1 . . . . 28 GLN HE21 . 17063 1
185 . 1 1 31 31 GLN HE22 H 1 7.433 0.012 . 1 . . . . 28 GLN HE22 . 17063 1
186 . 1 1 31 31 GLN N N 15 117.914 0.015 . 1 . . . . 28 GLN N . 17063 1
187 . 1 1 31 31 GLN NE2 N 15 112.798 0.013 . 1 . . . . 28 GLN NE2 . 17063 1
188 . 1 1 32 32 THR H H 1 6.810 0.007 . 1 . . . . 29 THR H . 17063 1
189 . 1 1 32 32 THR HA H 1 4.342 0.008 . 1 . . . . 29 THR HA . 17063 1
190 . 1 1 32 32 THR HG21 H 1 1.054 0.009 . 1 . . . . 29 THR HG21 . 17063 1
191 . 1 1 32 32 THR HG22 H 1 1.054 0.009 . 1 . . . . 29 THR HG22 . 17063 1
192 . 1 1 32 32 THR HG23 H 1 1.054 0.009 . 1 . . . . 29 THR HG23 . 17063 1
193 . 1 1 32 32 THR N N 15 111.811 0.051 . 1 . . . . 29 THR N . 17063 1
194 . 1 1 33 33 PRO HD2 H 1 3.926 0.000 . 1 . . . . 30 PRO HD2 . 17063 1
195 . 1 1 34 34 HIS H H 1 8.218 0.004 . 1 . . . . 31 HIS H . 17063 1
196 . 1 1 34 34 HIS HA H 1 4.991 0.010 . 1 . . . . 31 HIS HA . 17063 1
197 . 1 1 34 34 HIS HB2 H 1 2.900 0.022 . 1 . . . . 31 HIS HB2 . 17063 1
198 . 1 1 34 34 HIS N N 15 120.911 0.048 . 1 . . . . 31 HIS N . 17063 1
199 . 1 1 35 35 THR H H 1 8.667 0.002 . 1 . . . . 32 THR H . 17063 1
200 . 1 1 35 35 THR HA H 1 4.742 0.018 . 1 . . . . 32 THR HA . 17063 1
201 . 1 1 35 35 THR HB H 1 4.277 0.000 . 1 . . . . 32 THR HB . 17063 1
202 . 1 1 35 35 THR HG21 H 1 1.387 0.001 . 1 . . . . 32 THR HG21 . 17063 1
203 . 1 1 35 35 THR HG22 H 1 1.387 0.001 . 1 . . . . 32 THR HG22 . 17063 1
204 . 1 1 35 35 THR HG23 H 1 1.387 0.001 . 1 . . . . 32 THR HG23 . 17063 1
205 . 1 1 35 35 THR N N 15 117.710 0.025 . 1 . . . . 32 THR N . 17063 1
206 . 1 1 36 36 HIS H H 1 9.589 0.005 . 1 . . . . 33 HIS H . 17063 1
207 . 1 1 36 36 HIS HA H 1 4.812 0.003 . 1 . . . . 33 HIS HA . 17063 1
208 . 1 1 36 36 HIS HB2 H 1 2.751 0.000 . 2 . . . . 33 HIS HB2 . 17063 1
209 . 1 1 36 36 HIS HB3 H 1 3.220 0.000 . 2 . . . . 33 HIS HB3 . 17063 1
210 . 1 1 36 36 HIS HD2 H 1 6.877 0.000 . 1 . . . . 33 HIS HD2 . 17063 1
211 . 1 1 36 36 HIS N N 15 122.301 0.034 . 1 . . . . 33 HIS N . 17063 1
212 . 1 1 37 37 ASN H H 1 8.987 0.008 . 1 . . . . 34 ASN H . 17063 1
213 . 1 1 37 37 ASN HA H 1 4.975 0.000 . 1 . . . . 34 ASN HA . 17063 1
214 . 1 1 37 37 ASN HB2 H 1 2.774 0.000 . 1 . . . . 34 ASN HB2 . 17063 1
215 . 1 1 37 37 ASN N N 15 117.456 0.023 . 1 . . . . 34 ASN N . 17063 1
216 . 1 1 38 38 ARG H H 1 8.460 0.005 . 1 . . . . 35 ARG H . 17063 1
217 . 1 1 38 38 ARG HA H 1 4.155 0.005 . 1 . . . . 35 ARG HA . 17063 1
218 . 1 1 38 38 ARG HB2 H 1 1.871 0.011 . 2 . . . . 35 ARG HB2 . 17063 1
219 . 1 1 38 38 ARG HB3 H 1 2.218 0.015 . 2 . . . . 35 ARG HB3 . 17063 1
220 . 1 1 38 38 ARG HE H 1 7.439 0.000 . 1 . . . . 35 ARG HE . 17063 1
221 . 1 1 38 38 ARG N N 15 120.003 0.020 . 1 . . . . 35 ARG N . 17063 1
222 . 1 1 38 38 ARG NE N 15 85.016 0.000 . 1 . . . . 35 ARG NE . 17063 1
223 . 1 1 39 39 THR H H 1 7.355 0.003 . 1 . . . . 36 THR H . 17063 1
224 . 1 1 39 39 THR HA H 1 4.986 0.011 . 1 . . . . 36 THR HA . 17063 1
225 . 1 1 39 39 THR HG21 H 1 1.081 0.000 . 1 . . . . 36 THR HG21 . 17063 1
226 . 1 1 39 39 THR HG22 H 1 1.081 0.000 . 1 . . . . 36 THR HG22 . 17063 1
227 . 1 1 39 39 THR HG23 H 1 1.081 0.000 . 1 . . . . 36 THR HG23 . 17063 1
228 . 1 1 39 39 THR N N 15 105.291 0.015 . 1 . . . . 36 THR N . 17063 1
229 . 1 1 40 40 PRO HD2 H 1 3.065 0.000 . 1 . . . . 37 PRO HD2 . 17063 1
230 . 1 1 40 40 PRO HG2 H 1 3.278 0.000 . 1 . . . . 37 PRO HG2 . 17063 1
231 . 1 1 41 41 GLU H H 1 8.341 0.003 . 1 . . . . 38 GLU H . 17063 1
232 . 1 1 41 41 GLU HA H 1 3.958 0.009 . 1 . . . . 38 GLU HA . 17063 1
233 . 1 1 41 41 GLU HB2 H 1 1.932 0.002 . 1 . . . . 38 GLU HB2 . 17063 1
234 . 1 1 41 41 GLU HG2 H 1 2.207 0.000 . 2 . . . . 38 GLU HG2 . 17063 1
235 . 1 1 41 41 GLU HG3 H 1 2.439 0.000 . 2 . . . . 38 GLU HG3 . 17063 1
236 . 1 1 41 41 GLU N N 15 113.293 0.018 . 1 . . . . 38 GLU N . 17063 1
237 . 1 1 42 42 ASN H H 1 7.792 0.003 . 1 . . . . 39 ASN H . 17063 1
238 . 1 1 42 42 ASN HA H 1 4.818 0.007 . 1 . . . . 39 ASN HA . 17063 1
239 . 1 1 42 42 ASN HB2 H 1 2.697 0.003 . 2 . . . . 39 ASN HB2 . 17063 1
240 . 1 1 42 42 ASN HB3 H 1 2.803 0.000 . 2 . . . . 39 ASN HB3 . 17063 1
241 . 1 1 42 42 ASN HD21 H 1 6.972 0.005 . 1 . . . . 39 ASN HD21 . 17063 1
242 . 1 1 42 42 ASN HD22 H 1 7.627 0.004 . 1 . . . . 39 ASN HD22 . 17063 1
243 . 1 1 42 42 ASN N N 15 117.447 0.020 . 1 . . . . 39 ASN N . 17063 1
244 . 1 1 42 42 ASN ND2 N 15 110.869 0.052 . 1 . . . . 39 ASN ND2 . 17063 1
245 . 1 1 43 43 PHE H H 1 7.557 0.006 . 1 . . . . 40 PHE H . 17063 1
246 . 1 1 43 43 PHE HA H 1 4.576 0.005 . 1 . . . . 40 PHE HA . 17063 1
247 . 1 1 43 43 PHE HB2 H 1 2.538 0.000 . 2 . . . . 40 PHE HB2 . 17063 1
248 . 1 1 43 43 PHE HB3 H 1 2.948 0.009 . 2 . . . . 40 PHE HB3 . 17063 1
249 . 1 1 43 43 PHE HZ H 1 7.314 0.000 . 1 . . . . 40 PHE HZ . 17063 1
250 . 1 1 43 43 PHE N N 15 116.868 0.057 . 1 . . . . 40 PHE N . 17063 1
251 . 1 1 44 44 PRO HG2 H 1 1.986 0.000 . 1 . . . . 41 PRO HG2 . 17063 1
252 . 1 1 45 45 SER H H 1 8.314 0.011 . 1 . . . . 42 SER H . 17063 1
253 . 1 1 45 45 SER HA H 1 4.610 0.009 . 1 . . . . 42 SER HA . 17063 1
254 . 1 1 45 45 SER HB2 H 1 3.890 0.015 . 2 . . . . 42 SER HB2 . 17063 1
255 . 1 1 45 45 SER HB3 H 1 4.134 0.003 . 2 . . . . 42 SER HB3 . 17063 1
256 . 1 1 45 45 SER N N 15 111.866 0.008 . 1 . . . . 42 SER N . 17063 1
257 . 1 1 46 46 LYS H H 1 7.331 0.005 . 1 . . . . 43 LYS H . 17063 1
258 . 1 1 46 46 LYS HA H 1 4.418 0.008 . 1 . . . . 43 LYS HA . 17063 1
259 . 1 1 46 46 LYS HB2 H 1 1.665 0.002 . 1 . . . . 43 LYS HB2 . 17063 1
260 . 1 1 46 46 LYS N N 15 117.397 0.047 . 1 . . . . 43 LYS N . 17063 1
261 . 1 1 47 47 ASN H H 1 8.023 0.006 . 1 . . . . 44 ASN H . 17063 1
262 . 1 1 47 47 ASN HA H 1 4.142 0.021 . 1 . . . . 44 ASN HA . 17063 1
263 . 1 1 47 47 ASN HB2 H 1 2.682 0.012 . 2 . . . . 44 ASN HB2 . 17063 1
264 . 1 1 47 47 ASN HB3 H 1 2.969 0.014 . 2 . . . . 44 ASN HB3 . 17063 1
265 . 1 1 47 47 ASN HD21 H 1 6.835 0.005 . 1 . . . . 44 ASN HD21 . 17063 1
266 . 1 1 47 47 ASN HD22 H 1 7.861 0.002 . 1 . . . . 44 ASN HD22 . 17063 1
267 . 1 1 47 47 ASN N N 15 114.870 0.019 . 1 . . . . 44 ASN N . 17063 1
268 . 1 1 47 47 ASN ND2 N 15 112.246 0.028 . 1 . . . . 44 ASN ND2 . 17063 1
269 . 1 1 48 48 LEU H H 1 9.096 0.009 . 1 . . . . 45 LEU H . 17063 1
270 . 1 1 48 48 LEU HA H 1 3.470 0.011 . 1 . . . . 45 LEU HA . 17063 1
271 . 1 1 48 48 LEU HB2 H 1 0.475 0.000 . 2 . . . . 45 LEU HB2 . 17063 1
272 . 1 1 48 48 LEU HB3 H 1 1.411 0.005 . 2 . . . . 45 LEU HB3 . 17063 1
273 . 1 1 48 48 LEU HD11 H 1 0.902 0.008 . 1 . . . . 45 LEU HD11 . 17063 1
274 . 1 1 48 48 LEU HD12 H 1 0.902 0.008 . 1 . . . . 45 LEU HD12 . 17063 1
275 . 1 1 48 48 LEU HD13 H 1 0.902 0.008 . 1 . . . . 45 LEU HD13 . 17063 1
276 . 1 1 48 48 LEU N N 15 123.073 0.021 . 1 . . . . 45 LEU N . 17063 1
277 . 1 1 49 49 ASP H H 1 7.523 0.003 . 1 . . . . 46 ASP H . 17063 1
278 . 1 1 49 49 ASP HA H 1 4.573 0.004 . 1 . . . . 46 ASP HA . 17063 1
279 . 1 1 49 49 ASP HB2 H 1 2.423 0.026 . 2 . . . . 46 ASP HB2 . 17063 1
280 . 1 1 49 49 ASP HB3 H 1 2.681 0.007 . 2 . . . . 46 ASP HB3 . 17063 1
281 . 1 1 49 49 ASP N N 15 122.934 0.025 . 1 . . . . 46 ASP N . 17063 1
282 . 1 1 50 50 GLU H H 1 8.803 0.003 . 1 . . . . 47 GLU H . 17063 1
283 . 1 1 50 50 GLU HA H 1 3.716 0.011 . 1 . . . . 47 GLU HA . 17063 1
284 . 1 1 50 50 GLU HB2 H 1 0.613 0.000 . 2 . . . . 47 GLU HB2 . 17063 1
285 . 1 1 50 50 GLU HB3 H 1 1.235 0.000 . 2 . . . . 47 GLU HB3 . 17063 1
286 . 1 1 50 50 GLU HG2 H 1 2.177 0.024 . 2 . . . . 47 GLU HG2 . 17063 1
287 . 1 1 50 50 GLU HG3 H 1 2.199 0.014 . 2 . . . . 47 GLU HG3 . 17063 1
288 . 1 1 50 50 GLU N N 15 115.395 0.016 . 1 . . . . 47 GLU N . 17063 1
289 . 1 1 51 51 ASN H H 1 7.399 0.010 . 1 . . . . 48 ASN H . 17063 1
290 . 1 1 51 51 ASN HA H 1 4.238 0.002 . 1 . . . . 48 ASN HA . 17063 1
291 . 1 1 51 51 ASN HD21 H 1 7.502 0.006 . 1 . . . . 48 ASN HD21 . 17063 1
292 . 1 1 51 51 ASN HD22 H 1 6.930 0.015 . 1 . . . . 48 ASN HD22 . 17063 1
293 . 1 1 51 51 ASN N N 15 122.594 0.015 . 1 . . . . 48 ASN N . 17063 1
294 . 1 1 51 51 ASN ND2 N 15 108.375 0.013 . 1 . . . . 48 ASN ND2 . 17063 1
295 . 1 1 52 52 TYR H H 1 7.548 0.006 . 1 . . . . 49 TYR H . 17063 1
296 . 1 1 52 52 TYR HA H 1 4.852 0.007 . 1 . . . . 49 TYR HA . 17063 1
297 . 1 1 52 52 TYR HB2 H 1 2.782 0.000 . 2 . . . . 49 TYR HB2 . 17063 1
298 . 1 1 52 52 TYR HB3 H 1 3.424 0.021 . 2 . . . . 49 TYR HB3 . 17063 1
299 . 1 1 52 52 TYR HD1 H 1 6.894 0.000 . 3 . . . . 49 TYR HD1 . 17063 1
300 . 1 1 52 52 TYR HD2 H 1 6.894 0.000 . 3 . . . . 49 TYR HD2 . 17063 1
301 . 1 1 52 52 TYR N N 15 114.499 0.041 . 1 . . . . 49 TYR N . 17063 1
302 . 1 1 53 53 CYS H H 1 9.315 0.004 . 1 . . . . 50 CYS H . 17063 1
303 . 1 1 53 53 CYS HA H 1 4.511 0.006 . 1 . . . . 50 CYS HA . 17063 1
304 . 1 1 53 53 CYS HB2 H 1 2.417 0.001 . 1 . . . . 50 CYS HB2 . 17063 1
305 . 1 1 53 53 CYS N N 15 118.751 0.038 . 1 . . . . 50 CYS N . 17063 1
306 . 1 1 54 54 ARG H H 1 9.068 0.007 . 1 . . . . 51 ARG H . 17063 1
307 . 1 1 54 54 ARG HA H 1 4.972 0.025 . 1 . . . . 51 ARG HA . 17063 1
308 . 1 1 54 54 ARG HB2 H 1 1.470 0.015 . 1 . . . . 51 ARG HB2 . 17063 1
309 . 1 1 54 54 ARG HE H 1 7.877 0.000 . 1 . . . . 51 ARG HE . 17063 1
310 . 1 1 54 54 ARG N N 15 123.103 0.037 . 1 . . . . 51 ARG N . 17063 1
311 . 1 1 54 54 ARG NE N 15 85.456 0.000 . 1 . . . . 51 ARG NE . 17063 1
312 . 1 1 55 55 ASN H H 1 8.637 0.007 . 1 . . . . 52 ASN H . 17063 1
313 . 1 1 55 55 ASN HA H 1 5.384 0.002 . 1 . . . . 52 ASN HA . 17063 1
314 . 1 1 55 55 ASN HB2 H 1 2.002 0.008 . 2 . . . . 52 ASN HB2 . 17063 1
315 . 1 1 55 55 ASN HB3 H 1 2.797 0.010 . 2 . . . . 52 ASN HB3 . 17063 1
316 . 1 1 55 55 ASN N N 15 113.303 0.018 . 1 . . . . 52 ASN N . 17063 1
317 . 1 1 57 57 ASP H H 1 8.761 0.004 . 1 . . . . 54 ASP H . 17063 1
318 . 1 1 57 57 ASP HA H 1 4.621 0.000 . 1 . . . . 54 ASP HA . 17063 1
319 . 1 1 57 57 ASP N N 15 117.122 0.056 . 1 . . . . 54 ASP N . 17063 1
320 . 1 1 58 58 GLY H H 1 8.102 0.009 . 1 . . . . 55 GLY H . 17063 1
321 . 1 1 58 58 GLY HA2 H 1 3.498 0.008 . 2 . . . . 55 GLY HA2 . 17063 1
322 . 1 1 58 58 GLY HA3 H 1 4.125 0.013 . 2 . . . . 55 GLY HA3 . 17063 1
323 . 1 1 58 58 GLY N N 15 109.049 0.010 . 1 . . . . 55 GLY N . 17063 1
324 . 1 1 59 59 ASP H H 1 8.792 0.009 . 1 . . . . 56 ASP H . 17063 1
325 . 1 1 59 59 ASP HA H 1 4.707 0.005 . 1 . . . . 56 ASP HA . 17063 1
326 . 1 1 59 59 ASP HB2 H 1 2.326 0.000 . 2 . . . . 56 ASP HB2 . 17063 1
327 . 1 1 59 59 ASP HB3 H 1 2.660 0.007 . 2 . . . . 56 ASP HB3 . 17063 1
328 . 1 1 59 59 ASP N N 15 124.889 0.036 . 1 . . . . 56 ASP N . 17063 1
329 . 1 1 60 60 ARG H H 1 8.028 0.010 . 1 . . . . 57 ARG H . 17063 1
330 . 1 1 60 60 ARG HA H 1 4.522 0.016 . 1 . . . . 57 ARG HA . 17063 1
331 . 1 1 60 60 ARG HB2 H 1 2.670 0.000 . 1 . . . . 57 ARG HB2 . 17063 1
332 . 1 1 60 60 ARG HD3 H 1 3.063 0.011 . 1 . . . . 57 ARG HD3 . 17063 1
333 . 1 1 60 60 ARG HE H 1 7.009 0.002 . 1 . . . . 57 ARG HE . 17063 1
334 . 1 1 60 60 ARG HG2 H 1 1.706 0.019 . 1 . . . . 57 ARG HG2 . 17063 1
335 . 1 1 60 60 ARG HG3 H 1 1.718 0.000 . 1 . . . . 57 ARG HG3 . 17063 1
336 . 1 1 60 60 ARG HH21 H 1 6.914 0.002 . 1 . . . . 57 ARG HH21 . 17063 1
337 . 1 1 60 60 ARG N N 15 117.096 0.033 . 1 . . . . 57 ARG N . 17063 1
338 . 1 1 60 60 ARG NE N 15 83.829 0.009 . 1 . . . . 57 ARG NE . 17063 1
339 . 1 1 61 61 ALA H H 1 7.709 0.006 . 1 . . . . 58 ALA H . 17063 1
340 . 1 1 61 61 ALA HA H 1 4.774 0.008 . 1 . . . . 58 ALA HA . 17063 1
341 . 1 1 61 61 ALA HB1 H 1 1.242 0.011 . 1 . . . . 58 ALA HB1 . 17063 1
342 . 1 1 61 61 ALA HB2 H 1 1.242 0.011 . 1 . . . . 58 ALA HB2 . 17063 1
343 . 1 1 61 61 ALA HB3 H 1 1.242 0.011 . 1 . . . . 58 ALA HB3 . 17063 1
344 . 1 1 61 61 ALA N N 15 118.869 0.012 . 1 . . . . 58 ALA N . 17063 1
345 . 1 1 62 62 PRO HA H 1 4.311 0.008 . 1 . . . . 59 PRO HA . 17063 1
346 . 1 1 62 62 PRO HB2 H 1 1.839 0.000 . 1 . . . . 59 PRO HB2 . 17063 1
347 . 1 1 63 63 TRP H H 1 9.023 0.005 . 1 . . . . 60 TRP H . 17063 1
348 . 1 1 63 63 TRP HA H 1 5.554 0.012 . 1 . . . . 60 TRP HA . 17063 1
349 . 1 1 63 63 TRP HB3 H 1 3.481 0.000 . 1 . . . . 60 TRP HB3 . 17063 1
350 . 1 1 63 63 TRP HD1 H 1 7.815 0.000 . 1 . . . . 60 TRP HD1 . 17063 1
351 . 1 1 63 63 TRP HE1 H 1 10.641 0.001 . 1 . . . . 60 TRP HE1 . 17063 1
352 . 1 1 63 63 TRP HE3 H 1 7.052 0.000 . 1 . . . . 60 TRP HE3 . 17063 1
353 . 1 1 63 63 TRP N N 15 121.494 0.018 . 1 . . . . 60 TRP N . 17063 1
354 . 1 1 63 63 TRP NE1 N 15 130.176 0.004 . 1 . . . . 60 TRP NE1 . 17063 1
355 . 1 1 64 64 CYS H H 1 8.599 0.003 . 1 . . . . 61 CYS H . 17063 1
356 . 1 1 64 64 CYS HA H 1 4.424 0.016 . 1 . . . . 61 CYS HA . 17063 1
357 . 1 1 64 64 CYS N N 15 108.754 0.016 . 1 . . . . 61 CYS N . 17063 1
358 . 1 1 65 65 HIS H H 1 7.537 0.004 . 1 . . . . 62 HIS H . 17063 1
359 . 1 1 65 65 HIS HA H 1 5.640 0.028 . 1 . . . . 62 HIS HA . 17063 1
360 . 1 1 65 65 HIS HB2 H 1 2.363 0.000 . 2 . . . . 62 HIS HB2 . 17063 1
361 . 1 1 65 65 HIS HB3 H 1 3.102 0.009 . 2 . . . . 62 HIS HB3 . 17063 1
362 . 1 1 65 65 HIS N N 15 119.053 0.058 . 1 . . . . 62 HIS N . 17063 1
363 . 1 1 66 66 THR H H 1 8.106 0.004 . 1 . . . . 63 THR H . 17063 1
364 . 1 1 66 66 THR HA H 1 5.607 0.002 . 1 . . . . 63 THR HA . 17063 1
365 . 1 1 66 66 THR HB H 1 4.347 0.015 . 1 . . . . 63 THR HB . 17063 1
366 . 1 1 66 66 THR HG21 H 1 1.163 0.017 . 1 . . . . 63 THR HG21 . 17063 1
367 . 1 1 66 66 THR HG22 H 1 1.163 0.017 . 1 . . . . 63 THR HG22 . 17063 1
368 . 1 1 66 66 THR HG23 H 1 1.163 0.017 . 1 . . . . 63 THR HG23 . 17063 1
369 . 1 1 66 66 THR N N 15 112.204 0.030 . 1 . . . . 63 THR N . 17063 1
370 . 1 1 67 67 THR H H 1 8.360 0.003 . 1 . . . . 64 THR H . 17063 1
371 . 1 1 67 67 THR HA H 1 4.019 0.015 . 1 . . . . 64 THR HA . 17063 1
372 . 1 1 67 67 THR HG21 H 1 1.119 0.000 . 1 . . . . 64 THR HG21 . 17063 1
373 . 1 1 67 67 THR HG22 H 1 1.119 0.000 . 1 . . . . 64 THR HG22 . 17063 1
374 . 1 1 67 67 THR HG23 H 1 1.119 0.000 . 1 . . . . 64 THR HG23 . 17063 1
375 . 1 1 67 67 THR N N 15 104.568 0.027 . 1 . . . . 64 THR N . 17063 1
376 . 1 1 68 68 ASN H H 1 9.107 0.010 . 1 . . . . 65 ASN H . 17063 1
377 . 1 1 68 68 ASN HB2 H 1 2.011 0.016 . 2 . . . . 65 ASN HB2 . 17063 1
378 . 1 1 68 68 ASN HB3 H 1 2.323 0.015 . 2 . . . . 65 ASN HB3 . 17063 1
379 . 1 1 68 68 ASN N N 15 123.985 0.021 . 1 . . . . 65 ASN N . 17063 1
380 . 1 1 69 69 SER H H 1 8.713 0.007 . 1 . . . . 66 SER H . 17063 1
381 . 1 1 69 69 SER HA H 1 4.743 0.012 . 1 . . . . 66 SER HA . 17063 1
382 . 1 1 69 69 SER HB2 H 1 3.979 0.004 . 1 . . . . 66 SER HB2 . 17063 1
383 . 1 1 69 69 SER N N 15 117.675 0.010 . 1 . . . . 66 SER N . 17063 1
384 . 1 1 70 70 GLN H H 1 8.882 0.010 . 1 . . . . 67 GLN H . 17063 1
385 . 1 1 70 70 GLN HA H 1 4.350 0.012 . 1 . . . . 67 GLN HA . 17063 1
386 . 1 1 70 70 GLN HB2 H 1 1.976 0.008 . 2 . . . . 67 GLN HB2 . 17063 1
387 . 1 1 70 70 GLN HB3 H 1 2.271 0.015 . 2 . . . . 67 GLN HB3 . 17063 1
388 . 1 1 70 70 GLN HE21 H 1 6.661 0.003 . 1 . . . . 67 GLN HE21 . 17063 1
389 . 1 1 70 70 GLN HE22 H 1 7.116 0.003 . 1 . . . . 67 GLN HE22 . 17063 1
390 . 1 1 70 70 GLN N N 15 118.159 0.015 . 1 . . . . 67 GLN N . 17063 1
391 . 1 1 70 70 GLN NE2 N 15 109.709 0.016 . 1 . . . . 67 GLN NE2 . 17063 1
392 . 1 1 71 71 VAL H H 1 7.578 0.007 . 1 . . . . 68 VAL H . 17063 1
393 . 1 1 71 71 VAL HA H 1 4.034 0.011 . 1 . . . . 68 VAL HA . 17063 1
394 . 1 1 71 71 VAL HG11 H 1 0.459 0.016 . 2 . . . . 68 VAL HG11 . 17063 1
395 . 1 1 71 71 VAL HG12 H 1 0.459 0.016 . 2 . . . . 68 VAL HG12 . 17063 1
396 . 1 1 71 71 VAL HG13 H 1 0.459 0.016 . 2 . . . . 68 VAL HG13 . 17063 1
397 . 1 1 71 71 VAL HG21 H 1 1.540 0.007 . 2 . . . . 68 VAL HG21 . 17063 1
398 . 1 1 71 71 VAL HG22 H 1 1.540 0.007 . 2 . . . . 68 VAL HG22 . 17063 1
399 . 1 1 71 71 VAL HG23 H 1 1.540 0.007 . 2 . . . . 68 VAL HG23 . 17063 1
400 . 1 1 71 71 VAL N N 15 120.523 0.013 . 1 . . . . 68 VAL N . 17063 1
401 . 1 1 72 72 ARG H H 1 8.594 0.001 . 1 . . . . 69 ARG H . 17063 1
402 . 1 1 72 72 ARG HD3 H 1 3.093 0.004 . 1 . . . . 69 ARG HD3 . 17063 1
403 . 1 1 72 72 ARG HE H 1 7.147 0.017 . 1 . . . . 69 ARG HE . 17063 1
404 . 1 1 72 72 ARG N N 15 128.233 0.019 . 1 . . . . 69 ARG N . 17063 1
405 . 1 1 72 72 ARG NE N 15 84.440 0.000 . 1 . . . . 69 ARG NE . 17063 1
406 . 1 1 73 73 TRP H H 1 7.337 0.017 . 1 . . . . 70 TRP H . 17063 1
407 . 1 1 73 73 TRP HA H 1 5.288 0.007 . 1 . . . . 70 TRP HA . 17063 1
408 . 1 1 73 73 TRP HB2 H 1 2.827 0.000 . 1 . . . . 70 TRP HB2 . 17063 1
409 . 1 1 73 73 TRP HB3 H 1 3.132 0.000 . 1 . . . . 70 TRP HB3 . 17063 1
410 . 1 1 73 73 TRP HD1 H 1 6.647 0.005 . 1 . . . . 70 TRP HD1 . 17063 1
411 . 1 1 73 73 TRP HE1 H 1 9.667 0.006 . 1 . . . . 70 TRP HE1 . 17063 1
412 . 1 1 73 73 TRP HE3 H 1 6.690 0.000 . 1 . . . . 70 TRP HE3 . 17063 1
413 . 1 1 73 73 TRP N N 15 109.592 0.057 . 1 . . . . 70 TRP N . 17063 1
414 . 1 1 73 73 TRP NE1 N 15 128.498 0.008 . 1 . . . . 70 TRP NE1 . 17063 1
415 . 1 1 74 74 GLU H H 1 8.504 0.003 . 1 . . . . 71 GLU H . 17063 1
416 . 1 1 74 74 GLU HA H 1 3.620 0.007 . 1 . . . . 71 GLU HA . 17063 1
417 . 1 1 74 74 GLU HB2 H 1 1.743 0.017 . 2 . . . . 71 GLU HB2 . 17063 1
418 . 1 1 74 74 GLU HB3 H 1 2.172 0.000 . 2 . . . . 71 GLU HB3 . 17063 1
419 . 1 1 74 74 GLU N N 15 117.394 0.034 . 1 . . . . 71 GLU N . 17063 1
420 . 1 1 75 75 TYR H H 1 7.761 0.005 . 1 . . . . 72 TYR H . 17063 1
421 . 1 1 75 75 TYR HA H 1 5.012 0.019 . 1 . . . . 72 TYR HA . 17063 1
422 . 1 1 75 75 TYR HB2 H 1 2.631 0.008 . 2 . . . . 72 TYR HB2 . 17063 1
423 . 1 1 75 75 TYR HB3 H 1 3.358 0.018 . 2 . . . . 72 TYR HB3 . 17063 1
424 . 1 1 75 75 TYR N N 15 116.990 0.018 . 1 . . . . 72 TYR N . 17063 1
425 . 1 1 76 76 CYS H H 1 8.642 0.006 . 1 . . . . 73 CYS H . 17063 1
426 . 1 1 76 76 CYS HA H 1 4.841 0.011 . 1 . . . . 73 CYS HA . 17063 1
427 . 1 1 76 76 CYS HB2 H 1 3.045 0.017 . 1 . . . . 73 CYS HB2 . 17063 1
428 . 1 1 76 76 CYS N N 15 116.490 0.012 . 1 . . . . 73 CYS N . 17063 1
429 . 1 1 77 77 LYS H H 1 9.484 0.003 . 1 . . . . 74 LYS H . 17063 1
430 . 1 1 77 77 LYS HA H 1 4.453 0.008 . 1 . . . . 74 LYS HA . 17063 1
431 . 1 1 77 77 LYS HB2 H 1 1.379 0.000 . 2 . . . . 74 LYS HB2 . 17063 1
432 . 1 1 77 77 LYS HB3 H 1 1.859 0.006 . 2 . . . . 74 LYS HB3 . 17063 1
433 . 1 1 77 77 LYS N N 15 126.319 0.010 . 1 . . . . 74 LYS N . 17063 1
434 . 1 1 78 78 ILE H H 1 8.356 0.006 . 1 . . . . 75 ILE H . 17063 1
435 . 1 1 78 78 ILE HA H 1 4.482 0.005 . 1 . . . . 75 ILE HA . 17063 1
436 . 1 1 78 78 ILE HB H 1 1.514 0.015 . 1 . . . . 75 ILE HB . 17063 1
437 . 1 1 78 78 ILE HG12 H 1 0.834 0.000 . 2 . . . . 75 ILE HG12 . 17063 1
438 . 1 1 78 78 ILE HG13 H 1 1.028 0.000 . 2 . . . . 75 ILE HG13 . 17063 1
439 . 1 1 78 78 ILE HG21 H 1 0.614 0.007 . 1 . . . . 75 ILE HG21 . 17063 1
440 . 1 1 78 78 ILE HG22 H 1 0.614 0.007 . 1 . . . . 75 ILE HG22 . 17063 1
441 . 1 1 78 78 ILE HG23 H 1 0.614 0.007 . 1 . . . . 75 ILE HG23 . 17063 1
442 . 1 1 78 78 ILE N N 15 128.890 0.007 . 1 . . . . 75 ILE N . 17063 1
443 . 1 1 79 79 PRO HA H 1 3.987 0.000 . 1 . . . . 76 PRO HA . 17063 1
444 . 1 1 80 80 SER H H 1 8.830 0.004 . 1 . . . . 77 SER H . 17063 1
445 . 1 1 80 80 SER HA H 1 4.710 0.022 . 1 . . . . 77 SER HA . 17063 1
446 . 1 1 80 80 SER HB2 H 1 2.659 0.004 . 2 . . . . 77 SER HB2 . 17063 1
447 . 1 1 80 80 SER HB3 H 1 3.374 0.000 . 2 . . . . 77 SER HB3 . 17063 1
448 . 1 1 80 80 SER N N 15 122.832 0.060 . 1 . . . . 77 SER N . 17063 1
449 . 1 1 81 81 CYS H H 1 8.647 0.005 . 1 . . . . 78 CYS H . 17063 1
450 . 1 1 81 81 CYS HA H 1 4.672 0.011 . 1 . . . . 78 CYS HA . 17063 1
451 . 1 1 81 81 CYS HB2 H 1 2.617 0.018 . 2 . . . . 78 CYS HB2 . 17063 1
452 . 1 1 81 81 CYS HB3 H 1 2.751 0.006 . 2 . . . . 78 CYS HB3 . 17063 1
453 . 1 1 81 81 CYS N N 15 121.149 0.011 . 1 . . . . 78 CYS N . 17063 1
454 . 1 1 82 82 ASP H H 1 7.774 0.007 . 1 . . . . 79 ASP H . 17063 1
455 . 1 1 82 82 ASP HA H 1 4.231 0.009 . 1 . . . . 79 ASP HA . 17063 1
456 . 1 1 82 82 ASP HB2 H 1 3.847 0.005 . 1 . . . . 79 ASP HB2 . 17063 1
457 . 1 1 82 82 ASP N N 15 120.217 0.030 . 1 . . . . 79 ASP N . 17063 1
stop_
save_