Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 25663
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' . . . 25663 1
2 '3D CBCA(CO)NH' . . . 25663 1
3 '3D HNCO' . . . 25663 1
4 '3D HNCACB' . . . 25663 1
5 '3D HCCH-TOCSY' . . . 25663 1
6 '3D 1H-15N NOESY' . . . 25663 1
7 '3D 1H-13C NOESY' . . . 25663 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $X-PLOR_NIH . . 25663 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 GLY HA2 H 1 3.531 0.003 . . . . . A 1 GLY HA2 . 25663 1
2 . 1 1 1 1 GLY HA3 H 1 3.823 0.007 . . . . . A 1 GLY HA3 . 25663 1
3 . 1 1 1 1 GLY C C 13 169.541 0.000 . . . . . A 1 GLY C . 25663 1
4 . 1 1 1 1 GLY CA C 13 43.388 0.044 . . . . . A 1 GLY CA . 25663 1
5 . 1 1 2 2 VAL H H 1 8.486 0.012 . . . . . A 2 VAL H . 25663 1
6 . 1 1 2 2 VAL HA H 1 5.257 0.017 . . . . . A 2 VAL HA . 25663 1
7 . 1 1 2 2 VAL HB H 1 1.323 0.025 . . . . . A 2 VAL HB . 25663 1
8 . 1 1 2 2 VAL HG11 H 1 0.853 0.013 . . . . . A 2 VAL HG11 . 25663 1
9 . 1 1 2 2 VAL HG12 H 1 0.853 0.013 . . . . . A 2 VAL HG12 . 25663 1
10 . 1 1 2 2 VAL HG13 H 1 0.853 0.013 . . . . . A 2 VAL HG13 . 25663 1
11 . 1 1 2 2 VAL HG21 H 1 0.800 0.013 . . . . . A 2 VAL HG21 . 25663 1
12 . 1 1 2 2 VAL HG22 H 1 0.800 0.013 . . . . . A 2 VAL HG22 . 25663 1
13 . 1 1 2 2 VAL HG23 H 1 0.800 0.013 . . . . . A 2 VAL HG23 . 25663 1
14 . 1 1 2 2 VAL C C 13 174.533 0.000 . . . . . A 2 VAL C . 25663 1
15 . 1 1 2 2 VAL CA C 13 60.536 0.041 . . . . . A 2 VAL CA . 25663 1
16 . 1 1 2 2 VAL CB C 13 33.278 0.060 . . . . . A 2 VAL CB . 25663 1
17 . 1 1 2 2 VAL CG1 C 13 23.814 0.104 . . . . . A 2 VAL CG1 . 25663 1
18 . 1 1 2 2 VAL CG2 C 13 23.109 0.088 . . . . . A 2 VAL CG2 . 25663 1
19 . 1 1 2 2 VAL N N 15 122.742 0.057 . . . . . A 2 VAL N . 25663 1
20 . 1 1 3 3 TYR H H 1 8.715 0.012 . . . . . A 3 TYR H . 25663 1
21 . 1 1 3 3 TYR HA H 1 4.964 0.010 . . . . . A 3 TYR HA . 25663 1
22 . 1 1 3 3 TYR HB2 H 1 3.029 0.030 . . . . . A 3 TYR HB2 . 25663 1
23 . 1 1 3 3 TYR HB3 H 1 2.938 0.010 . . . . . A 3 TYR HB3 . 25663 1
24 . 1 1 3 3 TYR HD1 H 1 6.743 0.022 . . . . . A 3 TYR HD1 . 25663 1
25 . 1 1 3 3 TYR HD2 H 1 6.743 0.022 . . . . . A 3 TYR HD2 . 25663 1
26 . 1 1 3 3 TYR HE1 H 1 6.589 0.000 . . . . . A 3 TYR HE1 . 25663 1
27 . 1 1 3 3 TYR HE2 H 1 6.589 0.000 . . . . . A 3 TYR HE2 . 25663 1
28 . 1 1 3 3 TYR C C 13 173.399 0.000 . . . . . A 3 TYR C . 25663 1
29 . 1 1 3 3 TYR CA C 13 56.073 0.084 . . . . . A 3 TYR CA . 25663 1
30 . 1 1 3 3 TYR CB C 13 40.278 0.106 . . . . . A 3 TYR CB . 25663 1
31 . 1 1 3 3 TYR N N 15 120.172 0.027 . . . . . A 3 TYR N . 25663 1
32 . 1 1 4 4 HIS H H 1 9.414 0.010 . . . . . A 4 HIS H . 25663 1
33 . 1 1 4 4 HIS HA H 1 4.929 0.008 . . . . . A 4 HIS HA . 25663 1
34 . 1 1 4 4 HIS HB2 H 1 3.396 0.014 . . . . . A 4 HIS HB2 . 25663 1
35 . 1 1 4 4 HIS HB3 H 1 3.350 0.008 . . . . . A 4 HIS HB3 . 25663 1
36 . 1 1 4 4 HIS HD2 H 1 6.373 0.000 . . . . . A 4 HIS HD2 . 25663 1
37 . 1 1 4 4 HIS HE1 H 1 8.173 0.000 . . . . . A 4 HIS HE1 . 25663 1
38 . 1 1 4 4 HIS C C 13 172.844 0.000 . . . . . A 4 HIS C . 25663 1
39 . 1 1 4 4 HIS CA C 13 54.154 0.113 . . . . . A 4 HIS CA . 25663 1
40 . 1 1 4 4 HIS CB C 13 30.961 0.075 . . . . . A 4 HIS CB . 25663 1
41 . 1 1 4 4 HIS N N 15 121.237 0.139 . . . . . A 4 HIS N . 25663 1
42 . 1 1 5 5 ARG H H 1 8.805 0.023 . . . . . A 5 ARG H . 25663 1
43 . 1 1 5 5 ARG HA H 1 4.619 0.007 . . . . . A 5 ARG HA . 25663 1
44 . 1 1 5 5 ARG HB2 H 1 1.466 0.013 . . . . . A 5 ARG HB2 . 25663 1
45 . 1 1 5 5 ARG HB3 H 1 1.466 0.013 . . . . . A 5 ARG HB3 . 25663 1
46 . 1 1 5 5 ARG HG2 H 1 1.426 0.010 . . . . . A 5 ARG HG2 . 25663 1
47 . 1 1 5 5 ARG HG3 H 1 1.426 0.010 . . . . . A 5 ARG HG3 . 25663 1
48 . 1 1 5 5 ARG HD2 H 1 3.464 0.013 . . . . . A 5 ARG HD2 . 25663 1
49 . 1 1 5 5 ARG HD3 H 1 3.237 0.022 . . . . . A 5 ARG HD3 . 25663 1
50 . 1 1 5 5 ARG HE H 1 8.755 0.006 . . . . . A 5 ARG HE . 25663 1
51 . 1 1 5 5 ARG C C 13 172.967 0.000 . . . . . A 5 ARG C . 25663 1
52 . 1 1 5 5 ARG CA C 13 53.177 0.066 . . . . . A 5 ARG CA . 25663 1
53 . 1 1 5 5 ARG CB C 13 33.832 0.169 . . . . . A 5 ARG CB . 25663 1
54 . 1 1 5 5 ARG CG C 13 27.896 0.138 . . . . . A 5 ARG CG . 25663 1
55 . 1 1 5 5 ARG CD C 13 41.705 0.045 . . . . . A 5 ARG CD . 25663 1
56 . 1 1 5 5 ARG N N 15 128.770 0.046 . . . . . A 5 ARG N . 25663 1
57 . 1 1 6 6 GLU H H 1 8.232 0.019 . . . . . A 6 GLU H . 25663 1
58 . 1 1 6 6 GLU HA H 1 4.490 0.006 . . . . . A 6 GLU HA . 25663 1
59 . 1 1 6 6 GLU HB2 H 1 1.899 0.012 . . . . . A 6 GLU HB2 . 25663 1
60 . 1 1 6 6 GLU HB3 H 1 1.752 0.012 . . . . . A 6 GLU HB3 . 25663 1
61 . 1 1 6 6 GLU HG2 H 1 2.237 0.006 . . . . . A 6 GLU HG2 . 25663 1
62 . 1 1 6 6 GLU HG3 H 1 1.963 0.010 . . . . . A 6 GLU HG3 . 25663 1
63 . 1 1 6 6 GLU C C 13 176.264 0.000 . . . . . A 6 GLU C . 25663 1
64 . 1 1 6 6 GLU CA C 13 53.336 0.071 . . . . . A 6 GLU CA . 25663 1
65 . 1 1 6 6 GLU CB C 13 33.133 0.073 . . . . . A 6 GLU CB . 25663 1
66 . 1 1 6 6 GLU CG C 13 34.976 0.082 . . . . . A 6 GLU CG . 25663 1
67 . 1 1 6 6 GLU N N 15 121.037 0.024 . . . . . A 6 GLU N . 25663 1
68 . 1 1 7 7 ALA H H 1 8.756 0.015 . . . . . A 7 ALA H . 25663 1
69 . 1 1 7 7 ALA HA H 1 4.215 0.004 . . . . . A 7 ALA HA . 25663 1
70 . 1 1 7 7 ALA HB1 H 1 1.500 0.009 . . . . . A 7 ALA HB1 . 25663 1
71 . 1 1 7 7 ALA HB2 H 1 1.500 0.009 . . . . . A 7 ALA HB2 . 25663 1
72 . 1 1 7 7 ALA HB3 H 1 1.500 0.009 . . . . . A 7 ALA HB3 . 25663 1
73 . 1 1 7 7 ALA C C 13 178.419 0.000 . . . . . A 7 ALA C . 25663 1
74 . 1 1 7 7 ALA CA C 13 52.182 0.048 . . . . . A 7 ALA CA . 25663 1
75 . 1 1 7 7 ALA CB C 13 20.128 0.083 . . . . . A 7 ALA CB . 25663 1
76 . 1 1 7 7 ALA N N 15 123.438 0.050 . . . . . A 7 ALA N . 25663 1
77 . 1 1 8 8 ARG H H 1 8.945 0.017 . . . . . A 8 ARG H . 25663 1
78 . 1 1 8 8 ARG HA H 1 3.998 0.006 . . . . . A 8 ARG HA . 25663 1
79 . 1 1 8 8 ARG HB2 H 1 1.791 0.011 . . . . . A 8 ARG HB2 . 25663 1
80 . 1 1 8 8 ARG HB3 H 1 1.803 0.000 . . . . . A 8 ARG HB3 . 25663 1
81 . 1 1 8 8 ARG HG2 H 1 1.695 0.004 . . . . . A 8 ARG HG2 . 25663 1
82 . 1 1 8 8 ARG HG3 H 1 1.650 0.002 . . . . . A 8 ARG HG3 . 25663 1
83 . 1 1 8 8 ARG HD2 H 1 3.165 0.003 . . . . . A 8 ARG HD2 . 25663 1
84 . 1 1 8 8 ARG HD3 H 1 3.168 0.000 . . . . . A 8 ARG HD3 . 25663 1
85 . 1 1 8 8 ARG HE H 1 7.153 0.000 . . . . . A 8 ARG HE . 25663 1
86 . 1 1 8 8 ARG C C 13 177.448 0.000 . . . . . A 8 ARG C . 25663 1
87 . 1 1 8 8 ARG CA C 13 58.660 0.046 . . . . . A 8 ARG CA . 25663 1
88 . 1 1 8 8 ARG CB C 13 29.406 0.050 . . . . . A 8 ARG CB . 25663 1
89 . 1 1 8 8 ARG CG C 13 27.239 0.087 . . . . . A 8 ARG CG . 25663 1
90 . 1 1 8 8 ARG CD C 13 43.016 0.063 . . . . . A 8 ARG CD . 25663 1
91 . 1 1 8 8 ARG N N 15 122.559 0.015 . . . . . A 8 ARG N . 25663 1
92 . 1 1 9 9 SER H H 1 7.445 0.008 . . . . . A 9 SER H . 25663 1
93 . 1 1 9 9 SER HA H 1 4.261 0.007 . . . . . A 9 SER HA . 25663 1
94 . 1 1 9 9 SER HB2 H 1 3.914 0.015 . . . . . A 9 SER HB2 . 25663 1
95 . 1 1 9 9 SER HB3 H 1 3.741 0.021 . . . . . A 9 SER HB3 . 25663 1
96 . 1 1 9 9 SER C C 13 174.411 0.000 . . . . . A 9 SER C . 25663 1
97 . 1 1 9 9 SER CA C 13 58.081 0.044 . . . . . A 9 SER CA . 25663 1
98 . 1 1 9 9 SER CB C 13 62.972 0.040 . . . . . A 9 SER CB . 25663 1
99 . 1 1 9 9 SER N N 15 107.309 0.014 . . . . . A 9 SER N . 25663 1
100 . 1 1 10 10 GLY H H 1 7.379 0.005 . . . . . A 10 GLY H . 25663 1
101 . 1 1 10 10 GLY HA2 H 1 3.615 0.003 . . . . . A 10 GLY HA2 . 25663 1
102 . 1 1 10 10 GLY HA3 H 1 4.513 0.003 . . . . . A 10 GLY HA3 . 25663 1
103 . 1 1 10 10 GLY C C 13 171.580 0.000 . . . . . A 10 GLY C . 25663 1
104 . 1 1 10 10 GLY CA C 13 44.036 0.070 . . . . . A 10 GLY CA . 25663 1
105 . 1 1 10 10 GLY N N 15 109.574 0.011 . . . . . A 10 GLY N . 25663 1
106 . 1 1 11 11 LYS H H 1 8.040 0.005 . . . . . A 11 LYS H . 25663 1
107 . 1 1 11 11 LYS HA H 1 3.993 0.006 . . . . . A 11 LYS HA . 25663 1
108 . 1 1 11 11 LYS HB2 H 1 1.548 0.008 . . . . . A 11 LYS HB2 . 25663 1
109 . 1 1 11 11 LYS HB3 H 1 1.381 0.020 . . . . . A 11 LYS HB3 . 25663 1
110 . 1 1 11 11 LYS HG2 H 1 1.047 0.008 . . . . . A 11 LYS HG2 . 25663 1
111 . 1 1 11 11 LYS HG3 H 1 0.155 0.008 . . . . . A 11 LYS HG3 . 25663 1
112 . 1 1 11 11 LYS HD2 H 1 1.298 0.039 . . . . . A 11 LYS HD2 . 25663 1
113 . 1 1 11 11 LYS HD3 H 1 1.200 0.004 . . . . . A 11 LYS HD3 . 25663 1
114 . 1 1 11 11 LYS HE2 H 1 2.136 0.005 . . . . . A 11 LYS HE2 . 25663 1
115 . 1 1 11 11 LYS HE3 H 1 2.136 0.005 . . . . . A 11 LYS HE3 . 25663 1
116 . 1 1 11 11 LYS C C 13 175.995 0.000 . . . . . A 11 LYS C . 25663 1
117 . 1 1 11 11 LYS CA C 13 57.374 0.031 . . . . . A 11 LYS CA . 25663 1
118 . 1 1 11 11 LYS CB C 13 34.009 0.103 . . . . . A 11 LYS CB . 25663 1
119 . 1 1 11 11 LYS CG C 13 24.904 0.071 . . . . . A 11 LYS CG . 25663 1
120 . 1 1 11 11 LYS CD C 13 30.399 0.067 . . . . . A 11 LYS CD . 25663 1
121 . 1 1 11 11 LYS CE C 13 41.779 0.024 . . . . . A 11 LYS CE . 25663 1
122 . 1 1 11 11 LYS N N 15 121.683 0.020 . . . . . A 11 LYS N . 25663 1
123 . 1 1 12 12 TYR H H 1 9.830 0.009 . . . . . A 12 TYR H . 25663 1
124 . 1 1 12 12 TYR HA H 1 3.990 0.004 . . . . . A 12 TYR HA . 25663 1
125 . 1 1 12 12 TYR HB2 H 1 3.273 0.012 . . . . . A 12 TYR HB2 . 25663 1
126 . 1 1 12 12 TYR HB3 H 1 3.100 0.011 . . . . . A 12 TYR HB3 . 25663 1
127 . 1 1 12 12 TYR HD1 H 1 7.233 0.018 . . . . . A 12 TYR HD1 . 25663 1
128 . 1 1 12 12 TYR HD2 H 1 7.233 0.018 . . . . . A 12 TYR HD2 . 25663 1
129 . 1 1 12 12 TYR HE1 H 1 7.352 0.000 . . . . . A 12 TYR HE1 . 25663 1
130 . 1 1 12 12 TYR HE2 H 1 7.352 0.000 . . . . . A 12 TYR HE2 . 25663 1
131 . 1 1 12 12 TYR C C 13 173.905 0.000 . . . . . A 12 TYR C . 25663 1
132 . 1 1 12 12 TYR CA C 13 54.397 0.029 . . . . . A 12 TYR CA . 25663 1
133 . 1 1 12 12 TYR CB C 13 32.105 0.047 . . . . . A 12 TYR CB . 25663 1
134 . 1 1 12 12 TYR N N 15 122.956 0.037 . . . . . A 12 TYR N . 25663 1
135 . 1 1 13 13 LYS H H 1 8.445 0.007 . . . . . A 13 LYS H . 25663 1
136 . 1 1 13 13 LYS HA H 1 4.577 0.018 . . . . . A 13 LYS HA . 25663 1
137 . 1 1 13 13 LYS HB2 H 1 1.875 0.013 . . . . . A 13 LYS HB2 . 25663 1
138 . 1 1 13 13 LYS HB3 H 1 1.449 0.016 . . . . . A 13 LYS HB3 . 25663 1
139 . 1 1 13 13 LYS HG2 H 1 1.013 0.011 . . . . . A 13 LYS HG2 . 25663 1
140 . 1 1 13 13 LYS HG3 H 1 0.968 0.013 . . . . . A 13 LYS HG3 . 25663 1
141 . 1 1 13 13 LYS HD2 H 1 1.494 0.009 . . . . . A 13 LYS HD2 . 25663 1
142 . 1 1 13 13 LYS HD3 H 1 1.247 0.013 . . . . . A 13 LYS HD3 . 25663 1
143 . 1 1 13 13 LYS HE2 H 1 2.873 0.050 . . . . . A 13 LYS HE2 . 25663 1
144 . 1 1 13 13 LYS HE3 H 1 2.811 0.010 . . . . . A 13 LYS HE3 . 25663 1
145 . 1 1 13 13 LYS C C 13 176.999 0.000 . . . . . A 13 LYS C . 25663 1
146 . 1 1 13 13 LYS CA C 13 55.014 0.083 . . . . . A 13 LYS CA . 25663 1
147 . 1 1 13 13 LYS CB C 13 35.021 0.061 . . . . . A 13 LYS CB . 25663 1
148 . 1 1 13 13 LYS CG C 13 24.014 0.073 . . . . . A 13 LYS CG . 25663 1
149 . 1 1 13 13 LYS CD C 13 28.187 0.079 . . . . . A 13 LYS CD . 25663 1
150 . 1 1 13 13 LYS CE C 13 42.486 0.041 . . . . . A 13 LYS CE . 25663 1
151 . 1 1 13 13 LYS N N 15 114.683 0.018 . . . . . A 13 LYS N . 25663 1
152 . 1 1 14 14 LEU H H 1 9.479 0.008 . . . . . A 14 LEU H . 25663 1
153 . 1 1 14 14 LEU HA H 1 5.122 0.007 . . . . . A 14 LEU HA . 25663 1
154 . 1 1 14 14 LEU HB2 H 1 2.612 0.009 . . . . . A 14 LEU HB2 . 25663 1
155 . 1 1 14 14 LEU HB3 H 1 1.403 0.010 . . . . . A 14 LEU HB3 . 25663 1
156 . 1 1 14 14 LEU HG H 1 1.977 0.008 . . . . . A 14 LEU HG . 25663 1
157 . 1 1 14 14 LEU HD11 H 1 0.777 0.011 . . . . . A 14 LEU HD11 . 25663 1
158 . 1 1 14 14 LEU HD12 H 1 0.777 0.011 . . . . . A 14 LEU HD12 . 25663 1
159 . 1 1 14 14 LEU HD13 H 1 0.777 0.011 . . . . . A 14 LEU HD13 . 25663 1
160 . 1 1 14 14 LEU HD21 H 1 0.755 0.003 . . . . . A 14 LEU HD21 . 25663 1
161 . 1 1 14 14 LEU HD22 H 1 0.755 0.003 . . . . . A 14 LEU HD22 . 25663 1
162 . 1 1 14 14 LEU HD23 H 1 0.755 0.003 . . . . . A 14 LEU HD23 . 25663 1
163 . 1 1 14 14 LEU C C 13 178.304 0.000 . . . . . A 14 LEU C . 25663 1
164 . 1 1 14 14 LEU CA C 13 54.800 0.036 . . . . . A 14 LEU CA . 25663 1
165 . 1 1 14 14 LEU CB C 13 43.528 0.055 . . . . . A 14 LEU CB . 25663 1
166 . 1 1 14 14 LEU CG C 13 25.898 0.070 . . . . . A 14 LEU CG . 25663 1
167 . 1 1 14 14 LEU CD1 C 13 24.621 0.102 . . . . . A 14 LEU CD1 . 25663 1
168 . 1 1 14 14 LEU CD2 C 13 26.963 0.077 . . . . . A 14 LEU CD2 . 25663 1
169 . 1 1 14 14 LEU N N 15 123.176 0.031 . . . . . A 14 LEU N . 25663 1
170 . 1 1 15 15 THR H H 1 8.792 0.015 . . . . . A 15 THR H . 25663 1
171 . 1 1 15 15 THR HA H 1 5.485 0.007 . . . . . A 15 THR HA . 25663 1
172 . 1 1 15 15 THR HB H 1 4.779 0.012 . . . . . A 15 THR HB . 25663 1
173 . 1 1 15 15 THR HG21 H 1 1.320 0.006 . . . . . A 15 THR HG21 . 25663 1
174 . 1 1 15 15 THR HG22 H 1 1.320 0.006 . . . . . A 15 THR HG22 . 25663 1
175 . 1 1 15 15 THR HG23 H 1 1.320 0.006 . . . . . A 15 THR HG23 . 25663 1
176 . 1 1 15 15 THR C C 13 174.697 0.000 . . . . . A 15 THR C . 25663 1
177 . 1 1 15 15 THR CA C 13 61.722 0.106 . . . . . A 15 THR CA . 25663 1
178 . 1 1 15 15 THR CB C 13 70.914 0.021 . . . . . A 15 THR CB . 25663 1
179 . 1 1 15 15 THR CG2 C 13 21.636 0.031 . . . . . A 15 THR CG2 . 25663 1
180 . 1 1 15 15 THR N N 15 116.144 0.033 . . . . . A 15 THR N . 25663 1
181 . 1 1 16 16 TYR H H 1 7.402 0.015 . . . . . A 16 TYR H . 25663 1
182 . 1 1 16 16 TYR HA H 1 2.375 0.010 . . . . . A 16 TYR HA . 25663 1
183 . 1 1 16 16 TYR HB2 H 1 2.195 0.006 . . . . . A 16 TYR HB2 . 25663 1
184 . 1 1 16 16 TYR HB3 H 1 0.834 0.009 . . . . . A 16 TYR HB3 . 25663 1
185 . 1 1 16 16 TYR HD1 H 1 6.753 0.009 . . . . . A 16 TYR HD1 . 25663 1
186 . 1 1 16 16 TYR HD2 H 1 6.753 0.009 . . . . . A 16 TYR HD2 . 25663 1
187 . 1 1 16 16 TYR C C 13 176.133 0.000 . . . . . A 16 TYR C . 25663 1
188 . 1 1 16 16 TYR CA C 13 61.408 0.050 . . . . . A 16 TYR CA . 25663 1
189 . 1 1 16 16 TYR CB C 13 36.889 0.051 . . . . . A 16 TYR CB . 25663 1
190 . 1 1 16 16 TYR N N 15 120.594 0.027 . . . . . A 16 TYR N . 25663 1
191 . 1 1 17 17 ALA H H 1 8.545 0.010 . . . . . A 17 ALA H . 25663 1
192 . 1 1 17 17 ALA HA H 1 3.509 0.013 . . . . . A 17 ALA HA . 25663 1
193 . 1 1 17 17 ALA HB1 H 1 1.267 0.013 . . . . . A 17 ALA HB1 . 25663 1
194 . 1 1 17 17 ALA HB2 H 1 1.267 0.013 . . . . . A 17 ALA HB2 . 25663 1
195 . 1 1 17 17 ALA HB3 H 1 1.267 0.013 . . . . . A 17 ALA HB3 . 25663 1
196 . 1 1 17 17 ALA C C 13 181.575 0.000 . . . . . A 17 ALA C . 25663 1
197 . 1 1 17 17 ALA CA C 13 54.732 0.041 . . . . . A 17 ALA CA . 25663 1
198 . 1 1 17 17 ALA CB C 13 18.124 0.095 . . . . . A 17 ALA CB . 25663 1
199 . 1 1 17 17 ALA N N 15 118.108 0.015 . . . . . A 17 ALA N . 25663 1
200 . 1 1 18 18 GLU H H 1 7.327 0.013 . . . . . A 18 GLU H . 25663 1
201 . 1 1 18 18 GLU HA H 1 3.879 0.007 . . . . . A 18 GLU HA . 25663 1
202 . 1 1 18 18 GLU HB2 H 1 2.148 0.014 . . . . . A 18 GLU HB2 . 25663 1
203 . 1 1 18 18 GLU HB3 H 1 1.971 0.008 . . . . . A 18 GLU HB3 . 25663 1
204 . 1 1 18 18 GLU HG2 H 1 2.258 0.004 . . . . . A 18 GLU HG2 . 25663 1
205 . 1 1 18 18 GLU HG3 H 1 2.170 0.010 . . . . . A 18 GLU HG3 . 25663 1
206 . 1 1 18 18 GLU C C 13 178.624 0.000 . . . . . A 18 GLU C . 25663 1
207 . 1 1 18 18 GLU CA C 13 58.432 0.065 . . . . . A 18 GLU CA . 25663 1
208 . 1 1 18 18 GLU CB C 13 30.814 0.047 . . . . . A 18 GLU CB . 25663 1
209 . 1 1 18 18 GLU CG C 13 37.274 0.064 . . . . . A 18 GLU CG . 25663 1
210 . 1 1 18 18 GLU N N 15 117.696 0.013 . . . . . A 18 GLU N . 25663 1
211 . 1 1 19 19 ALA H H 1 8.744 0.009 . . . . . A 19 ALA H . 25663 1
212 . 1 1 19 19 ALA HA H 1 3.871 0.004 . . . . . A 19 ALA HA . 25663 1
213 . 1 1 19 19 ALA HB1 H 1 1.522 0.011 . . . . . A 19 ALA HB1 . 25663 1
214 . 1 1 19 19 ALA HB2 H 1 1.522 0.011 . . . . . A 19 ALA HB2 . 25663 1
215 . 1 1 19 19 ALA HB3 H 1 1.522 0.011 . . . . . A 19 ALA HB3 . 25663 1
216 . 1 1 19 19 ALA C C 13 177.371 0.000 . . . . . A 19 ALA C . 25663 1
217 . 1 1 19 19 ALA CA C 13 54.955 0.049 . . . . . A 19 ALA CA . 25663 1
218 . 1 1 19 19 ALA CB C 13 19.893 0.075 . . . . . A 19 ALA CB . 25663 1
219 . 1 1 19 19 ALA N N 15 124.629 0.020 . . . . . A 19 ALA N . 25663 1
220 . 1 1 20 20 LYS H H 1 8.188 0.011 . . . . . A 20 LYS H . 25663 1
221 . 1 1 20 20 LYS HA H 1 3.435 0.013 . . . . . A 20 LYS HA . 25663 1
222 . 1 1 20 20 LYS HB2 H 1 1.458 0.018 . . . . . A 20 LYS HB2 . 25663 1
223 . 1 1 20 20 LYS HB3 H 1 1.106 0.012 . . . . . A 20 LYS HB3 . 25663 1
224 . 1 1 20 20 LYS HG2 H 1 1.259 0.003 . . . . . A 20 LYS HG2 . 25663 1
225 . 1 1 20 20 LYS HG3 H 1 1.155 0.014 . . . . . A 20 LYS HG3 . 25663 1
226 . 1 1 20 20 LYS HD2 H 1 1.467 0.013 . . . . . A 20 LYS HD2 . 25663 1
227 . 1 1 20 20 LYS HD3 H 1 1.467 0.013 . . . . . A 20 LYS HD3 . 25663 1
228 . 1 1 20 20 LYS HE2 H 1 2.935 0.009 . . . . . A 20 LYS HE2 . 25663 1
229 . 1 1 20 20 LYS HE3 H 1 2.911 0.013 . . . . . A 20 LYS HE3 . 25663 1
230 . 1 1 20 20 LYS C C 13 178.017 0.000 . . . . . A 20 LYS C . 25663 1
231 . 1 1 20 20 LYS CA C 13 60.086 0.035 . . . . . A 20 LYS CA . 25663 1
232 . 1 1 20 20 LYS CB C 13 33.186 0.056 . . . . . A 20 LYS CB . 25663 1
233 . 1 1 20 20 LYS CG C 13 24.713 0.063 . . . . . A 20 LYS CG . 25663 1
234 . 1 1 20 20 LYS CD C 13 30.073 0.000 . . . . . A 20 LYS CD . 25663 1
235 . 1 1 20 20 LYS CE C 13 42.036 0.016 . . . . . A 20 LYS CE . 25663 1
236 . 1 1 20 20 LYS N N 15 117.842 0.026 . . . . . A 20 LYS N . 25663 1
237 . 1 1 21 21 ALA H H 1 7.382 0.007 . . . . . A 21 ALA H . 25663 1
238 . 1 1 21 21 ALA HA H 1 4.040 0.004 . . . . . A 21 ALA HA . 25663 1
239 . 1 1 21 21 ALA HB1 H 1 1.388 0.013 . . . . . A 21 ALA HB1 . 25663 1
240 . 1 1 21 21 ALA HB2 H 1 1.388 0.013 . . . . . A 21 ALA HB2 . 25663 1
241 . 1 1 21 21 ALA HB3 H 1 1.388 0.013 . . . . . A 21 ALA HB3 . 25663 1
242 . 1 1 21 21 ALA C C 13 180.598 0.000 . . . . . A 21 ALA C . 25663 1
243 . 1 1 21 21 ALA CA C 13 54.991 0.042 . . . . . A 21 ALA CA . 25663 1
244 . 1 1 21 21 ALA CB C 13 18.071 0.031 . . . . . A 21 ALA CB . 25663 1
245 . 1 1 21 21 ALA N N 15 117.564 0.031 . . . . . A 21 ALA N . 25663 1
246 . 1 1 22 22 VAL H H 1 8.203 0.005 . . . . . A 22 VAL H . 25663 1
247 . 1 1 22 22 VAL HA H 1 3.883 0.009 . . . . . A 22 VAL HA . 25663 1
248 . 1 1 22 22 VAL HB H 1 2.108 0.016 . . . . . A 22 VAL HB . 25663 1
249 . 1 1 22 22 VAL HG11 H 1 0.980 0.012 . . . . . A 22 VAL HG11 . 25663 1
250 . 1 1 22 22 VAL HG12 H 1 0.980 0.012 . . . . . A 22 VAL HG12 . 25663 1
251 . 1 1 22 22 VAL HG13 H 1 0.980 0.012 . . . . . A 22 VAL HG13 . 25663 1
252 . 1 1 22 22 VAL HG21 H 1 0.861 0.025 . . . . . A 22 VAL HG21 . 25663 1
253 . 1 1 22 22 VAL HG22 H 1 0.861 0.025 . . . . . A 22 VAL HG22 . 25663 1
254 . 1 1 22 22 VAL HG23 H 1 0.861 0.025 . . . . . A 22 VAL HG23 . 25663 1
255 . 1 1 22 22 VAL C C 13 177.921 0.000 . . . . . A 22 VAL C . 25663 1
256 . 1 1 22 22 VAL CA C 13 66.242 0.042 . . . . . A 22 VAL CA . 25663 1
257 . 1 1 22 22 VAL CB C 13 31.136 0.051 . . . . . A 22 VAL CB . 25663 1
258 . 1 1 22 22 VAL CG1 C 13 23.386 0.080 . . . . . A 22 VAL CG1 . 25663 1
259 . 1 1 22 22 VAL CG2 C 13 20.840 0.078 . . . . . A 22 VAL CG2 . 25663 1
260 . 1 1 22 22 VAL N N 15 120.351 0.043 . . . . . A 22 VAL N . 25663 1
261 . 1 1 23 23 CYS H H 1 7.788 0.009 . . . . . A 23 CYS H . 25663 1
262 . 1 1 23 23 CYS HA H 1 4.352 0.014 . . . . . A 23 CYS HA . 25663 1
263 . 1 1 23 23 CYS HB2 H 1 2.551 0.016 . . . . . A 23 CYS HB2 . 25663 1
264 . 1 1 23 23 CYS HB3 H 1 2.389 0.010 . . . . . A 23 CYS HB3 . 25663 1
265 . 1 1 23 23 CYS C C 13 178.687 0.000 . . . . . A 23 CYS C . 25663 1
266 . 1 1 23 23 CYS CA C 13 55.224 0.042 . . . . . A 23 CYS CA . 25663 1
267 . 1 1 23 23 CYS CB C 13 33.542 0.062 . . . . . A 23 CYS CB . 25663 1
268 . 1 1 23 23 CYS N N 15 116.368 0.029 . . . . . A 23 CYS N . 25663 1
269 . 1 1 24 24 GLU H H 1 8.196 0.005 . . . . . A 24 GLU H . 25663 1
270 . 1 1 24 24 GLU HA H 1 4.259 0.006 . . . . . A 24 GLU HA . 25663 1
271 . 1 1 24 24 GLU HB2 H 1 1.995 0.006 . . . . . A 24 GLU HB2 . 25663 1
272 . 1 1 24 24 GLU HB3 H 1 1.954 0.013 . . . . . A 24 GLU HB3 . 25663 1
273 . 1 1 24 24 GLU HG2 H 1 2.584 0.007 . . . . . A 24 GLU HG2 . 25663 1
274 . 1 1 24 24 GLU HG3 H 1 2.398 0.010 . . . . . A 24 GLU HG3 . 25663 1
275 . 1 1 24 24 GLU C C 13 180.516 0.000 . . . . . A 24 GLU C . 25663 1
276 . 1 1 24 24 GLU CA C 13 58.412 0.044 . . . . . A 24 GLU CA . 25663 1
277 . 1 1 24 24 GLU CB C 13 28.855 0.070 . . . . . A 24 GLU CB . 25663 1
278 . 1 1 24 24 GLU CG C 13 36.871 0.068 . . . . . A 24 GLU CG . 25663 1
279 . 1 1 24 24 GLU N N 15 120.341 0.031 . . . . . A 24 GLU N . 25663 1
280 . 1 1 25 25 PHE H H 1 8.946 0.014 . . . . . A 25 PHE H . 25663 1
281 . 1 1 25 25 PHE HA H 1 4.267 0.003 . . . . . A 25 PHE HA . 25663 1
282 . 1 1 25 25 PHE HB2 H 1 3.406 0.007 . . . . . A 25 PHE HB2 . 25663 1
283 . 1 1 25 25 PHE HB3 H 1 3.177 0.006 . . . . . A 25 PHE HB3 . 25663 1
284 . 1 1 25 25 PHE HD1 H 1 7.255 0.008 . . . . . A 25 PHE HD1 . 25663 1
285 . 1 1 25 25 PHE HD2 H 1 7.255 0.008 . . . . . A 25 PHE HD2 . 25663 1
286 . 1 1 25 25 PHE HE1 H 1 7.313 0.001 . . . . . A 25 PHE HE1 . 25663 1
287 . 1 1 25 25 PHE HE2 H 1 7.313 0.001 . . . . . A 25 PHE HE2 . 25663 1
288 . 1 1 25 25 PHE C C 13 177.593 0.000 . . . . . A 25 PHE C . 25663 1
289 . 1 1 25 25 PHE CA C 13 60.845 0.057 . . . . . A 25 PHE CA . 25663 1
290 . 1 1 25 25 PHE CB C 13 39.035 0.065 . . . . . A 25 PHE CB . 25663 1
291 . 1 1 25 25 PHE N N 15 124.937 0.031 . . . . . A 25 PHE N . 25663 1
292 . 1 1 26 26 GLU H H 1 7.359 0.008 . . . . . A 26 GLU H . 25663 1
293 . 1 1 26 26 GLU HA H 1 4.090 0.012 . . . . . A 26 GLU HA . 25663 1
294 . 1 1 26 26 GLU HB2 H 1 2.320 0.013 . . . . . A 26 GLU HB2 . 25663 1
295 . 1 1 26 26 GLU HB3 H 1 1.851 0.010 . . . . . A 26 GLU HB3 . 25663 1
296 . 1 1 26 26 GLU HG2 H 1 2.812 0.010 . . . . . A 26 GLU HG2 . 25663 1
297 . 1 1 26 26 GLU HG3 H 1 2.297 0.008 . . . . . A 26 GLU HG3 . 25663 1
298 . 1 1 26 26 GLU C C 13 175.712 0.000 . . . . . A 26 GLU C . 25663 1
299 . 1 1 26 26 GLU CA C 13 56.249 0.052 . . . . . A 26 GLU CA . 25663 1
300 . 1 1 26 26 GLU CB C 13 29.418 0.040 . . . . . A 26 GLU CB . 25663 1
301 . 1 1 26 26 GLU CG C 13 37.137 0.066 . . . . . A 26 GLU CG . 25663 1
302 . 1 1 26 26 GLU N N 15 114.486 0.038 . . . . . A 26 GLU N . 25663 1
303 . 1 1 27 27 GLY H H 1 7.695 0.004 . . . . . A 27 GLY H . 25663 1
304 . 1 1 27 27 GLY HA2 H 1 3.697 0.004 . . . . . A 27 GLY HA2 . 25663 1
305 . 1 1 27 27 GLY HA3 H 1 4.219 0.004 . . . . . A 27 GLY HA3 . 25663 1
306 . 1 1 27 27 GLY C C 13 174.107 0.000 . . . . . A 27 GLY C . 25663 1
307 . 1 1 27 27 GLY CA C 13 45.426 0.067 . . . . . A 27 GLY CA . 25663 1
308 . 1 1 27 27 GLY N N 15 106.503 0.039 . . . . . A 27 GLY N . 25663 1
309 . 1 1 28 28 GLY H H 1 7.745 0.005 . . . . . A 28 GLY H . 25663 1
310 . 1 1 28 28 GLY HA2 H 1 3.933 0.010 . . . . . A 28 GLY HA2 . 25663 1
311 . 1 1 28 28 GLY HA3 H 1 4.489 0.004 . . . . . A 28 GLY HA3 . 25663 1
312 . 1 1 28 28 GLY C C 13 172.079 0.000 . . . . . A 28 GLY C . 25663 1
313 . 1 1 28 28 GLY CA C 13 43.788 0.051 . . . . . A 28 GLY CA . 25663 1
314 . 1 1 28 28 GLY N N 15 109.515 0.051 . . . . . A 28 GLY N . 25663 1
315 . 1 1 29 29 HIS H H 1 8.412 0.010 . . . . . A 29 HIS H . 25663 1
316 . 1 1 29 29 HIS HA H 1 4.865 0.012 . . . . . A 29 HIS HA . 25663 1
317 . 1 1 29 29 HIS HB2 H 1 3.607 0.007 . . . . . A 29 HIS HB2 . 25663 1
318 . 1 1 29 29 HIS HB3 H 1 2.996 0.009 . . . . . A 29 HIS HB3 . 25663 1
319 . 1 1 29 29 HIS HD2 H 1 7.344 0.011 . . . . . A 29 HIS HD2 . 25663 1
320 . 1 1 29 29 HIS HE1 H 1 8.388 0.000 . . . . . A 29 HIS HE1 . 25663 1
321 . 1 1 29 29 HIS C C 13 174.118 0.000 . . . . . A 29 HIS C . 25663 1
322 . 1 1 29 29 HIS CA C 13 54.169 0.062 . . . . . A 29 HIS CA . 25663 1
323 . 1 1 29 29 HIS CB C 13 33.436 0.077 . . . . . A 29 HIS CB . 25663 1
324 . 1 1 29 29 HIS N N 15 116.220 0.027 . . . . . A 29 HIS N . 25663 1
325 . 1 1 30 30 LEU H H 1 9.399 0.009 . . . . . A 30 LEU H . 25663 1
326 . 1 1 30 30 LEU HA H 1 4.912 0.006 . . . . . A 30 LEU HA . 25663 1
327 . 1 1 30 30 LEU HB2 H 1 1.731 0.007 . . . . . A 30 LEU HB2 . 25663 1
328 . 1 1 30 30 LEU HB3 H 1 1.416 0.006 . . . . . A 30 LEU HB3 . 25663 1
329 . 1 1 30 30 LEU HG H 1 1.503 0.017 . . . . . A 30 LEU HG . 25663 1
330 . 1 1 30 30 LEU HD11 H 1 0.791 0.024 . . . . . A 30 LEU HD11 . 25663 1
331 . 1 1 30 30 LEU HD12 H 1 0.791 0.024 . . . . . A 30 LEU HD12 . 25663 1
332 . 1 1 30 30 LEU HD13 H 1 0.791 0.024 . . . . . A 30 LEU HD13 . 25663 1
333 . 1 1 30 30 LEU HD21 H 1 0.869 0.017 . . . . . A 30 LEU HD21 . 25663 1
334 . 1 1 30 30 LEU HD22 H 1 0.869 0.017 . . . . . A 30 LEU HD22 . 25663 1
335 . 1 1 30 30 LEU HD23 H 1 0.869 0.017 . . . . . A 30 LEU HD23 . 25663 1
336 . 1 1 30 30 LEU C C 13 178.158 0.000 . . . . . A 30 LEU C . 25663 1
337 . 1 1 30 30 LEU CA C 13 56.817 0.035 . . . . . A 30 LEU CA . 25663 1
338 . 1 1 30 30 LEU CB C 13 42.534 0.047 . . . . . A 30 LEU CB . 25663 1
339 . 1 1 30 30 LEU CG C 13 27.956 0.087 . . . . . A 30 LEU CG . 25663 1
340 . 1 1 30 30 LEU CD1 C 13 27.142 0.141 . . . . . A 30 LEU CD1 . 25663 1
341 . 1 1 30 30 LEU CD2 C 13 23.979 0.025 . . . . . A 30 LEU CD2 . 25663 1
342 . 1 1 30 30 LEU N N 15 124.046 0.018 . . . . . A 30 LEU N . 25663 1
343 . 1 1 31 31 ALA H H 1 9.331 0.012 . . . . . A 31 ALA H . 25663 1
344 . 1 1 31 31 ALA HA H 1 4.403 0.012 . . . . . A 31 ALA HA . 25663 1
345 . 1 1 31 31 ALA HB1 H 1 1.243 0.014 . . . . . A 31 ALA HB1 . 25663 1
346 . 1 1 31 31 ALA HB2 H 1 1.243 0.014 . . . . . A 31 ALA HB2 . 25663 1
347 . 1 1 31 31 ALA HB3 H 1 1.243 0.014 . . . . . A 31 ALA HB3 . 25663 1
348 . 1 1 31 31 ALA C C 13 176.879 0.000 . . . . . A 31 ALA C . 25663 1
349 . 1 1 31 31 ALA CA C 13 52.006 0.086 . . . . . A 31 ALA CA . 25663 1
350 . 1 1 31 31 ALA CB C 13 19.593 0.066 . . . . . A 31 ALA CB . 25663 1
351 . 1 1 31 31 ALA N N 15 126.730 0.032 . . . . . A 31 ALA N . 25663 1
352 . 1 1 32 32 THR H H 1 8.511 0.006 . . . . . A 32 THR H . 25663 1
353 . 1 1 32 32 THR HA H 1 4.528 0.005 . . . . . A 32 THR HA . 25663 1
354 . 1 1 32 32 THR HB H 1 4.744 0.032 . . . . . A 32 THR HB . 25663 1
355 . 1 1 32 32 THR HG1 H 1 5.475 0.000 . . . . . A 32 THR HG1 . 25663 1
356 . 1 1 32 32 THR HG21 H 1 1.137 0.008 . . . . . A 32 THR HG21 . 25663 1
357 . 1 1 32 32 THR HG22 H 1 1.137 0.008 . . . . . A 32 THR HG22 . 25663 1
358 . 1 1 32 32 THR HG23 H 1 1.137 0.008 . . . . . A 32 THR HG23 . 25663 1
359 . 1 1 32 32 THR C C 13 174.899 0.000 . . . . . A 32 THR C . 25663 1
360 . 1 1 32 32 THR CA C 13 59.818 0.054 . . . . . A 32 THR CA . 25663 1
361 . 1 1 32 32 THR CB C 13 70.949 0.041 . . . . . A 32 THR CB . 25663 1
362 . 1 1 32 32 THR CG2 C 13 21.697 0.008 . . . . . A 32 THR CG2 . 25663 1
363 . 1 1 32 32 THR N N 15 111.206 0.023 . . . . . A 32 THR N . 25663 1
364 . 1 1 33 33 TYR H H 1 8.623 0.013 . . . . . A 33 TYR H . 25663 1
365 . 1 1 33 33 TYR HA H 1 3.745 0.006 . . . . . A 33 TYR HA . 25663 1
366 . 1 1 33 33 TYR HB2 H 1 3.037 0.009 . . . . . A 33 TYR HB2 . 25663 1
367 . 1 1 33 33 TYR HB3 H 1 2.721 0.004 . . . . . A 33 TYR HB3 . 25663 1
368 . 1 1 33 33 TYR HD1 H 1 6.650 0.019 . . . . . A 33 TYR HD1 . 25663 1
369 . 1 1 33 33 TYR HD2 H 1 6.650 0.019 . . . . . A 33 TYR HD2 . 25663 1
370 . 1 1 33 33 TYR HE1 H 1 6.568 0.005 . . . . . A 33 TYR HE1 . 25663 1
371 . 1 1 33 33 TYR HE2 H 1 6.568 0.005 . . . . . A 33 TYR HE2 . 25663 1
372 . 1 1 33 33 TYR C C 13 176.176 0.000 . . . . . A 33 TYR C . 25663 1
373 . 1 1 33 33 TYR CA C 13 62.320 0.064 . . . . . A 33 TYR CA . 25663 1
374 . 1 1 33 33 TYR CB C 13 38.737 0.061 . . . . . A 33 TYR CB . 25663 1
375 . 1 1 33 33 TYR N N 15 121.971 0.017 . . . . . A 33 TYR N . 25663 1
376 . 1 1 34 34 LYS H H 1 8.284 0.011 . . . . . A 34 LYS H . 25663 1
377 . 1 1 34 34 LYS HA H 1 3.905 0.007 . . . . . A 34 LYS HA . 25663 1
378 . 1 1 34 34 LYS HB2 H 1 1.736 0.033 . . . . . A 34 LYS HB2 . 25663 1
379 . 1 1 34 34 LYS HB3 H 1 1.677 0.017 . . . . . A 34 LYS HB3 . 25663 1
380 . 1 1 34 34 LYS HG2 H 1 1.574 0.003 . . . . . A 34 LYS HG2 . 25663 1
381 . 1 1 34 34 LYS HG3 H 1 1.389 0.009 . . . . . A 34 LYS HG3 . 25663 1
382 . 1 1 34 34 LYS HD2 H 1 1.652 0.002 . . . . . A 34 LYS HD2 . 25663 1
383 . 1 1 34 34 LYS HD3 H 1 1.651 0.001 . . . . . A 34 LYS HD3 . 25663 1
384 . 1 1 34 34 LYS HE2 H 1 2.956 0.006 . . . . . A 34 LYS HE2 . 25663 1
385 . 1 1 34 34 LYS HE3 H 1 2.956 0.006 . . . . . A 34 LYS HE3 . 25663 1
386 . 1 1 34 34 LYS C C 13 180.207 0.000 . . . . . A 34 LYS C . 25663 1
387 . 1 1 34 34 LYS CA C 13 59.854 0.085 . . . . . A 34 LYS CA . 25663 1
388 . 1 1 34 34 LYS CB C 13 32.743 0.072 . . . . . A 34 LYS CB . 25663 1
389 . 1 1 34 34 LYS CG C 13 25.838 0.065 . . . . . A 34 LYS CG . 25663 1
390 . 1 1 34 34 LYS CD C 13 29.256 0.037 . . . . . A 34 LYS CD . 25663 1
391 . 1 1 34 34 LYS N N 15 116.509 0.030 . . . . . A 34 LYS N . 25663 1
392 . 1 1 35 35 GLN H H 1 7.747 0.009 . . . . . A 35 GLN H . 25663 1
393 . 1 1 35 35 GLN HA H 1 3.822 0.009 . . . . . A 35 GLN HA . 25663 1
394 . 1 1 35 35 GLN HB2 H 1 2.173 0.008 . . . . . A 35 GLN HB2 . 25663 1
395 . 1 1 35 35 GLN HB3 H 1 1.419 0.006 . . . . . A 35 GLN HB3 . 25663 1
396 . 1 1 35 35 GLN HG2 H 1 1.954 0.026 . . . . . A 35 GLN HG2 . 25663 1
397 . 1 1 35 35 GLN HG3 H 1 1.875 0.014 . . . . . A 35 GLN HG3 . 25663 1
398 . 1 1 35 35 GLN HE21 H 1 6.697 0.026 . . . . . A 35 GLN HE21 . 25663 1
399 . 1 1 35 35 GLN HE22 H 1 5.303 0.013 . . . . . A 35 GLN HE22 . 25663 1
400 . 1 1 35 35 GLN C C 13 179.050 0.000 . . . . . A 35 GLN C . 25663 1
401 . 1 1 35 35 GLN CA C 13 58.402 0.049 . . . . . A 35 GLN CA . 25663 1
402 . 1 1 35 35 GLN CB C 13 26.715 0.074 . . . . . A 35 GLN CB . 25663 1
403 . 1 1 35 35 GLN CG C 13 33.446 0.068 . . . . . A 35 GLN CG . 25663 1
404 . 1 1 35 35 GLN N N 15 119.270 0.014 . . . . . A 35 GLN N . 25663 1
405 . 1 1 35 35 GLN NE2 N 15 107.221 0.049 . . . . . A 35 GLN NE2 . 25663 1
406 . 1 1 36 36 LEU H H 1 8.473 0.009 . . . . . A 36 LEU H . 25663 1
407 . 1 1 36 36 LEU HA H 1 3.891 0.008 . . . . . A 36 LEU HA . 25663 1
408 . 1 1 36 36 LEU HB2 H 1 1.666 0.009 . . . . . A 36 LEU HB2 . 25663 1
409 . 1 1 36 36 LEU HB3 H 1 1.131 0.014 . . . . . A 36 LEU HB3 . 25663 1
410 . 1 1 36 36 LEU HG H 1 1.177 0.013 . . . . . A 36 LEU HG . 25663 1
411 . 1 1 36 36 LEU HD11 H 1 0.221 0.009 . . . . . A 36 LEU HD11 . 25663 1
412 . 1 1 36 36 LEU HD12 H 1 0.221 0.009 . . . . . A 36 LEU HD12 . 25663 1
413 . 1 1 36 36 LEU HD13 H 1 0.221 0.009 . . . . . A 36 LEU HD13 . 25663 1
414 . 1 1 36 36 LEU HD21 H 1 0.597 0.016 . . . . . A 36 LEU HD21 . 25663 1
415 . 1 1 36 36 LEU HD22 H 1 0.597 0.016 . . . . . A 36 LEU HD22 . 25663 1
416 . 1 1 36 36 LEU HD23 H 1 0.597 0.016 . . . . . A 36 LEU HD23 . 25663 1
417 . 1 1 36 36 LEU C C 13 177.812 0.000 . . . . . A 36 LEU C . 25663 1
418 . 1 1 36 36 LEU CA C 13 58.166 0.064 . . . . . A 36 LEU CA . 25663 1
419 . 1 1 36 36 LEU CB C 13 41.981 0.055 . . . . . A 36 LEU CB . 25663 1
420 . 1 1 36 36 LEU CG C 13 27.125 0.024 . . . . . A 36 LEU CG . 25663 1
421 . 1 1 36 36 LEU CD1 C 13 25.959 0.046 . . . . . A 36 LEU CD1 . 25663 1
422 . 1 1 36 36 LEU CD2 C 13 24.982 0.067 . . . . . A 36 LEU CD2 . 25663 1
423 . 1 1 36 36 LEU N N 15 122.992 0.014 . . . . . A 36 LEU N . 25663 1
424 . 1 1 37 37 GLU H H 1 8.526 0.014 . . . . . A 37 GLU H . 25663 1
425 . 1 1 37 37 GLU HA H 1 4.244 0.011 . . . . . A 37 GLU HA . 25663 1
426 . 1 1 37 37 GLU HB2 H 1 1.787 0.006 . . . . . A 37 GLU HB2 . 25663 1
427 . 1 1 37 37 GLU HB3 H 1 1.660 0.016 . . . . . A 37 GLU HB3 . 25663 1
428 . 1 1 37 37 GLU HG2 H 1 2.279 0.018 . . . . . A 37 GLU HG2 . 25663 1
429 . 1 1 37 37 GLU HG3 H 1 1.984 0.014 . . . . . A 37 GLU HG3 . 25663 1
430 . 1 1 37 37 GLU C C 13 177.984 0.000 . . . . . A 37 GLU C . 25663 1
431 . 1 1 37 37 GLU CA C 13 58.018 0.118 . . . . . A 37 GLU CA . 25663 1
432 . 1 1 37 37 GLU CB C 13 28.236 0.083 . . . . . A 37 GLU CB . 25663 1
433 . 1 1 37 37 GLU CG C 13 34.913 0.102 . . . . . A 37 GLU CG . 25663 1
434 . 1 1 37 37 GLU N N 15 120.512 0.043 . . . . . A 37 GLU N . 25663 1
435 . 1 1 38 38 ALA H H 1 7.806 0.008 . . . . . A 38 ALA H . 25663 1
436 . 1 1 38 38 ALA HA H 1 3.995 0.009 . . . . . A 38 ALA HA . 25663 1
437 . 1 1 38 38 ALA HB1 H 1 1.418 0.005 . . . . . A 38 ALA HB1 . 25663 1
438 . 1 1 38 38 ALA HB2 H 1 1.418 0.005 . . . . . A 38 ALA HB2 . 25663 1
439 . 1 1 38 38 ALA HB3 H 1 1.418 0.005 . . . . . A 38 ALA HB3 . 25663 1
440 . 1 1 38 38 ALA C C 13 180.513 0.000 . . . . . A 38 ALA C . 25663 1
441 . 1 1 38 38 ALA CA C 13 54.968 0.033 . . . . . A 38 ALA CA . 25663 1
442 . 1 1 38 38 ALA CB C 13 17.792 0.058 . . . . . A 38 ALA CB . 25663 1
443 . 1 1 38 38 ALA N N 15 121.256 0.016 . . . . . A 38 ALA N . 25663 1
444 . 1 1 39 39 ALA H H 1 7.495 0.011 . . . . . A 39 ALA H . 25663 1
445 . 1 1 39 39 ALA HA H 1 4.164 0.016 . . . . . A 39 ALA HA . 25663 1
446 . 1 1 39 39 ALA HB1 H 1 1.336 0.018 . . . . . A 39 ALA HB1 . 25663 1
447 . 1 1 39 39 ALA HB2 H 1 1.336 0.018 . . . . . A 39 ALA HB2 . 25663 1
448 . 1 1 39 39 ALA HB3 H 1 1.336 0.018 . . . . . A 39 ALA HB3 . 25663 1
449 . 1 1 39 39 ALA C C 13 180.063 0.000 . . . . . A 39 ALA C . 25663 1
450 . 1 1 39 39 ALA CA C 13 54.064 0.057 . . . . . A 39 ALA CA . 25663 1
451 . 1 1 39 39 ALA CB C 13 17.883 0.055 . . . . . A 39 ALA CB . 25663 1
452 . 1 1 39 39 ALA N N 15 120.185 0.014 . . . . . A 39 ALA N . 25663 1
453 . 1 1 40 40 ARG H H 1 8.789 0.007 . . . . . A 40 ARG H . 25663 1
454 . 1 1 40 40 ARG HA H 1 4.658 0.008 . . . . . A 40 ARG HA . 25663 1
455 . 1 1 40 40 ARG HB2 H 1 2.036 0.024 . . . . . A 40 ARG HB2 . 25663 1
456 . 1 1 40 40 ARG HB3 H 1 1.669 0.011 . . . . . A 40 ARG HB3 . 25663 1
457 . 1 1 40 40 ARG HG2 H 1 1.647 0.008 . . . . . A 40 ARG HG2 . 25663 1
458 . 1 1 40 40 ARG HG3 H 1 1.424 0.000 . . . . . A 40 ARG HG3 . 25663 1
459 . 1 1 40 40 ARG HD2 H 1 3.418 0.006 . . . . . A 40 ARG HD2 . 25663 1
460 . 1 1 40 40 ARG HD3 H 1 2.334 0.010 . . . . . A 40 ARG HD3 . 25663 1
461 . 1 1 40 40 ARG HE H 1 9.454 0.009 . . . . . A 40 ARG HE . 25663 1
462 . 1 1 40 40 ARG C C 13 180.610 0.000 . . . . . A 40 ARG C . 25663 1
463 . 1 1 40 40 ARG CA C 13 58.559 0.083 . . . . . A 40 ARG CA . 25663 1
464 . 1 1 40 40 ARG CB C 13 30.707 0.112 . . . . . A 40 ARG CB . 25663 1
465 . 1 1 40 40 ARG CD C 13 42.270 0.065 . . . . . A 40 ARG CD . 25663 1
466 . 1 1 40 40 ARG N N 15 124.604 0.026 . . . . . A 40 ARG N . 25663 1
467 . 1 1 41 41 LYS H H 1 8.267 0.006 . . . . . A 41 LYS H . 25663 1
468 . 1 1 41 41 LYS HA H 1 3.925 0.017 . . . . . A 41 LYS HA . 25663 1
469 . 1 1 41 41 LYS HB2 H 1 1.937 0.020 . . . . . A 41 LYS HB2 . 25663 1
470 . 1 1 41 41 LYS HB3 H 1 1.872 0.009 . . . . . A 41 LYS HB3 . 25663 1
471 . 1 1 41 41 LYS HG2 H 1 1.729 0.009 . . . . . A 41 LYS HG2 . 25663 1
472 . 1 1 41 41 LYS HG3 H 1 1.388 0.011 . . . . . A 41 LYS HG3 . 25663 1
473 . 1 1 41 41 LYS HD2 H 1 1.665 0.005 . . . . . A 41 LYS HD2 . 25663 1
474 . 1 1 41 41 LYS HD3 H 1 1.662 0.000 . . . . . A 41 LYS HD3 . 25663 1
475 . 1 1 41 41 LYS HE2 H 1 2.948 0.018 . . . . . A 41 LYS HE2 . 25663 1
476 . 1 1 41 41 LYS HE3 H 1 2.948 0.018 . . . . . A 41 LYS HE3 . 25663 1
477 . 1 1 41 41 LYS C C 13 178.134 0.000 . . . . . A 41 LYS C . 25663 1
478 . 1 1 41 41 LYS CA C 13 59.409 0.074 . . . . . A 41 LYS CA . 25663 1
479 . 1 1 41 41 LYS CB C 13 32.786 0.079 . . . . . A 41 LYS CB . 25663 1
480 . 1 1 41 41 LYS CG C 13 26.082 0.060 . . . . . A 41 LYS CG . 25663 1
481 . 1 1 41 41 LYS CD C 13 29.856 0.000 . . . . . A 41 LYS CD . 25663 1
482 . 1 1 41 41 LYS CE C 13 41.996 0.000 . . . . . A 41 LYS CE . 25663 1
483 . 1 1 41 41 LYS N N 15 117.810 0.024 . . . . . A 41 LYS N . 25663 1
484 . 1 1 42 42 ILE H H 1 7.263 0.005 . . . . . A 42 ILE H . 25663 1
485 . 1 1 42 42 ILE HA H 1 4.581 0.008 . . . . . A 42 ILE HA . 25663 1
486 . 1 1 42 42 ILE HB H 1 2.280 0.015 . . . . . A 42 ILE HB . 25663 1
487 . 1 1 42 42 ILE HG12 H 1 1.584 0.012 . . . . . A 42 ILE HG12 . 25663 1
488 . 1 1 42 42 ILE HG13 H 1 1.406 0.015 . . . . . A 42 ILE HG13 . 25663 1
489 . 1 1 42 42 ILE HG21 H 1 0.927 0.007 . . . . . A 42 ILE HG21 . 25663 1
490 . 1 1 42 42 ILE HG22 H 1 0.927 0.007 . . . . . A 42 ILE HG22 . 25663 1
491 . 1 1 42 42 ILE HG23 H 1 0.927 0.007 . . . . . A 42 ILE HG23 . 25663 1
492 . 1 1 42 42 ILE HD11 H 1 0.896 0.011 . . . . . A 42 ILE HD11 . 25663 1
493 . 1 1 42 42 ILE HD12 H 1 0.896 0.011 . . . . . A 42 ILE HD12 . 25663 1
494 . 1 1 42 42 ILE HD13 H 1 0.896 0.011 . . . . . A 42 ILE HD13 . 25663 1
495 . 1 1 42 42 ILE C C 13 176.527 0.000 . . . . . A 42 ILE C . 25663 1
496 . 1 1 42 42 ILE CA C 13 60.751 0.070 . . . . . A 42 ILE CA . 25663 1
497 . 1 1 42 42 ILE CB C 13 37.739 0.043 . . . . . A 42 ILE CB . 25663 1
498 . 1 1 42 42 ILE CG1 C 13 27.270 0.063 . . . . . A 42 ILE CG1 . 25663 1
499 . 1 1 42 42 ILE CG2 C 13 18.548 0.067 . . . . . A 42 ILE CG2 . 25663 1
500 . 1 1 42 42 ILE CD1 C 13 14.393 0.035 . . . . . A 42 ILE CD1 . 25663 1
501 . 1 1 42 42 ILE N N 15 110.889 0.016 . . . . . A 42 ILE N . 25663 1
502 . 1 1 43 43 GLY H H 1 7.816 0.006 . . . . . A 43 GLY H . 25663 1
503 . 1 1 43 43 GLY HA2 H 1 3.544 0.007 . . . . . A 43 GLY HA2 . 25663 1
504 . 1 1 43 43 GLY HA3 H 1 4.565 0.009 . . . . . A 43 GLY HA3 . 25663 1
505 . 1 1 43 43 GLY C C 13 173.880 0.000 . . . . . A 43 GLY C . 25663 1
506 . 1 1 43 43 GLY CA C 13 45.585 0.035 . . . . . A 43 GLY CA . 25663 1
507 . 1 1 43 43 GLY N N 15 108.366 0.011 . . . . . A 43 GLY N . 25663 1
508 . 1 1 44 44 PHE H H 1 8.003 0.015 . . . . . A 44 PHE H . 25663 1
509 . 1 1 44 44 PHE HA H 1 4.510 0.008 . . . . . A 44 PHE HA . 25663 1
510 . 1 1 44 44 PHE HB2 H 1 2.974 0.010 . . . . . A 44 PHE HB2 . 25663 1
511 . 1 1 44 44 PHE HB3 H 1 2.384 0.006 . . . . . A 44 PHE HB3 . 25663 1
512 . 1 1 44 44 PHE HD1 H 1 7.090 0.015 . . . . . A 44 PHE HD1 . 25663 1
513 . 1 1 44 44 PHE HD2 H 1 7.090 0.015 . . . . . A 44 PHE HD2 . 25663 1
514 . 1 1 44 44 PHE HE1 H 1 7.311 0.006 . . . . . A 44 PHE HE1 . 25663 1
515 . 1 1 44 44 PHE HE2 H 1 7.311 0.006 . . . . . A 44 PHE HE2 . 25663 1
516 . 1 1 44 44 PHE HZ H 1 7.354 0.000 . . . . . A 44 PHE HZ . 25663 1
517 . 1 1 44 44 PHE C C 13 171.183 0.000 . . . . . A 44 PHE C . 25663 1
518 . 1 1 44 44 PHE CA C 13 59.012 0.046 . . . . . A 44 PHE CA . 25663 1
519 . 1 1 44 44 PHE CB C 13 39.986 0.116 . . . . . A 44 PHE CB . 25663 1
520 . 1 1 44 44 PHE N N 15 125.650 0.033 . . . . . A 44 PHE N . 25663 1
521 . 1 1 45 45 HIS H H 1 7.326 0.012 . . . . . A 45 HIS H . 25663 1
522 . 1 1 45 45 HIS HA H 1 4.728 0.002 . . . . . A 45 HIS HA . 25663 1
523 . 1 1 45 45 HIS HB2 H 1 2.956 0.009 . . . . . A 45 HIS HB2 . 25663 1
524 . 1 1 45 45 HIS HB3 H 1 2.707 0.020 . . . . . A 45 HIS HB3 . 25663 1
525 . 1 1 45 45 HIS HD2 H 1 6.844 0.002 . . . . . A 45 HIS HD2 . 25663 1
526 . 1 1 45 45 HIS HE1 H 1 8.104 0.019 . . . . . A 45 HIS HE1 . 25663 1
527 . 1 1 45 45 HIS C C 13 175.134 0.000 . . . . . A 45 HIS C . 25663 1
528 . 1 1 45 45 HIS CA C 13 55.539 0.262 . . . . . A 45 HIS CA . 25663 1
529 . 1 1 45 45 HIS CB C 13 34.586 0.081 . . . . . A 45 HIS CB . 25663 1
530 . 1 1 45 45 HIS N N 15 126.999 0.062 . . . . . A 45 HIS N . 25663 1
531 . 1 1 46 46 VAL H H 1 8.147 0.012 . . . . . A 46 VAL H . 25663 1
532 . 1 1 46 46 VAL HA H 1 3.665 0.005 . . . . . A 46 VAL HA . 25663 1
533 . 1 1 46 46 VAL HB H 1 2.312 0.008 . . . . . A 46 VAL HB . 25663 1
534 . 1 1 46 46 VAL HG11 H 1 0.309 0.015 . . . . . A 46 VAL HG11 . 25663 1
535 . 1 1 46 46 VAL HG12 H 1 0.309 0.015 . . . . . A 46 VAL HG12 . 25663 1
536 . 1 1 46 46 VAL HG13 H 1 0.309 0.015 . . . . . A 46 VAL HG13 . 25663 1
537 . 1 1 46 46 VAL HG21 H 1 0.165 0.013 . . . . . A 46 VAL HG21 . 25663 1
538 . 1 1 46 46 VAL HG22 H 1 0.165 0.013 . . . . . A 46 VAL HG22 . 25663 1
539 . 1 1 46 46 VAL HG23 H 1 0.165 0.013 . . . . . A 46 VAL HG23 . 25663 1
540 . 1 1 46 46 VAL CA C 13 61.647 0.019 . . . . . A 46 VAL CA . 25663 1
541 . 1 1 46 46 VAL CB C 13 35.141 0.057 . . . . . A 46 VAL CB . 25663 1
542 . 1 1 46 46 VAL CG1 C 13 22.170 0.087 . . . . . A 46 VAL CG1 . 25663 1
543 . 1 1 46 46 VAL CG2 C 13 21.577 0.049 . . . . . A 46 VAL CG2 . 25663 1
544 . 1 1 46 46 VAL N N 15 126.425 0.072 . . . . . A 46 VAL N . 25663 1
545 . 1 1 47 47 CYS H H 1 8.675 0.024 . . . . . A 47 CYS H . 25663 1
546 . 1 1 47 47 CYS HA H 1 4.470 0.008 . . . . . A 47 CYS HA . 25663 1
547 . 1 1 47 47 CYS HB2 H 1 3.557 0.018 . . . . . A 47 CYS HB2 . 25663 1
548 . 1 1 47 47 CYS HB3 H 1 2.217 0.003 . . . . . A 47 CYS HB3 . 25663 1
549 . 1 1 47 47 CYS C C 13 172.533 0.000 . . . . . A 47 CYS C . 25663 1
550 . 1 1 47 47 CYS CA C 13 55.259 0.075 . . . . . A 47 CYS CA . 25663 1
551 . 1 1 47 47 CYS CB C 13 44.867 0.132 . . . . . A 47 CYS CB . 25663 1
552 . 1 1 47 47 CYS N N 15 127.308 0.065 . . . . . A 47 CYS N . 25663 1
553 . 1 1 48 48 ALA H H 1 6.500 0.015 . . . . . A 48 ALA H . 25663 1
554 . 1 1 48 48 ALA HA H 1 4.278 0.004 . . . . . A 48 ALA HA . 25663 1
555 . 1 1 48 48 ALA HB1 H 1 1.000 0.009 . . . . . A 48 ALA HB1 . 25663 1
556 . 1 1 48 48 ALA HB2 H 1 1.000 0.009 . . . . . A 48 ALA HB2 . 25663 1
557 . 1 1 48 48 ALA HB3 H 1 1.000 0.009 . . . . . A 48 ALA HB3 . 25663 1
558 . 1 1 48 48 ALA C C 13 173.936 0.000 . . . . . A 48 ALA C . 25663 1
559 . 1 1 48 48 ALA CA C 13 51.286 0.037 . . . . . A 48 ALA CA . 25663 1
560 . 1 1 48 48 ALA CB C 13 19.831 0.063 . . . . . A 48 ALA CB . 25663 1
561 . 1 1 48 48 ALA N N 15 120.376 0.040 . . . . . A 48 ALA N . 25663 1
562 . 1 1 49 49 ALA H H 1 8.424 0.019 . . . . . A 49 ALA H . 25663 1
563 . 1 1 49 49 ALA HA H 1 3.834 0.011 . . . . . A 49 ALA HA . 25663 1
564 . 1 1 49 49 ALA HB1 H 1 0.576 0.018 . . . . . A 49 ALA HB1 . 25663 1
565 . 1 1 49 49 ALA HB2 H 1 0.576 0.018 . . . . . A 49 ALA HB2 . 25663 1
566 . 1 1 49 49 ALA HB3 H 1 0.576 0.018 . . . . . A 49 ALA HB3 . 25663 1
567 . 1 1 49 49 ALA C C 13 176.061 0.000 . . . . . A 49 ALA C . 25663 1
568 . 1 1 49 49 ALA CA C 13 53.466 0.023 . . . . . A 49 ALA CA . 25663 1
569 . 1 1 49 49 ALA CB C 13 18.332 0.082 . . . . . A 49 ALA CB . 25663 1
570 . 1 1 49 49 ALA N N 15 130.715 0.033 . . . . . A 49 ALA N . 25663 1
571 . 1 1 50 50 GLY H H 1 8.746 0.011 . . . . . A 50 GLY H . 25663 1
572 . 1 1 50 50 GLY HA2 H 1 3.456 0.017 . . . . . A 50 GLY HA2 . 25663 1
573 . 1 1 50 50 GLY HA3 H 1 4.517 0.006 . . . . . A 50 GLY HA3 . 25663 1
574 . 1 1 50 50 GLY C C 13 170.793 0.000 . . . . . A 50 GLY C . 25663 1
575 . 1 1 50 50 GLY CA C 13 43.792 0.037 . . . . . A 50 GLY CA . 25663 1
576 . 1 1 50 50 GLY N N 15 107.085 0.020 . . . . . A 50 GLY N . 25663 1
577 . 1 1 51 51 TRP H H 1 8.596 0.005 . . . . . A 51 TRP H . 25663 1
578 . 1 1 51 51 TRP HA H 1 4.960 0.005 . . . . . A 51 TRP HA . 25663 1
579 . 1 1 51 51 TRP HB2 H 1 3.519 0.006 . . . . . A 51 TRP HB2 . 25663 1
580 . 1 1 51 51 TRP HB3 H 1 3.047 0.011 . . . . . A 51 TRP HB3 . 25663 1
581 . 1 1 51 51 TRP HD1 H 1 7.365 0.006 . . . . . A 51 TRP HD1 . 25663 1
582 . 1 1 51 51 TRP HE1 H 1 10.287 0.009 . . . . . A 51 TRP HE1 . 25663 1
583 . 1 1 51 51 TRP HE3 H 1 7.662 0.009 . . . . . A 51 TRP HE3 . 25663 1
584 . 1 1 51 51 TRP HZ2 H 1 8.139 0.011 . . . . . A 51 TRP HZ2 . 25663 1
585 . 1 1 51 51 TRP HH2 H 1 7.394 0.000 . . . . . A 51 TRP HH2 . 25663 1
586 . 1 1 51 51 TRP C C 13 174.095 0.000 . . . . . A 51 TRP C . 25663 1
587 . 1 1 51 51 TRP CA C 13 58.852 0.058 . . . . . A 51 TRP CA . 25663 1
588 . 1 1 51 51 TRP CB C 13 32.034 0.039 . . . . . A 51 TRP CB . 25663 1
589 . 1 1 51 51 TRP N N 15 121.565 0.026 . . . . . A 51 TRP N . 25663 1
590 . 1 1 51 51 TRP NE1 N 15 131.345 0.023 . . . . . A 51 TRP NE1 . 25663 1
591 . 1 1 52 52 MET H H 1 9.116 0.007 . . . . . A 52 MET H . 25663 1
592 . 1 1 52 52 MET HA H 1 4.945 0.004 . . . . . A 52 MET HA . 25663 1
593 . 1 1 52 52 MET HB2 H 1 2.584 0.024 . . . . . A 52 MET HB2 . 25663 1
594 . 1 1 52 52 MET HB3 H 1 1.985 0.009 . . . . . A 52 MET HB3 . 25663 1
595 . 1 1 52 52 MET HG2 H 1 2.647 0.001 . . . . . A 52 MET HG2 . 25663 1
596 . 1 1 52 52 MET HG3 H 1 2.363 0.008 . . . . . A 52 MET HG3 . 25663 1
597 . 1 1 52 52 MET HE1 H 1 1.604 0.001 . . . . . A 52 MET HE1 . 25663 1
598 . 1 1 52 52 MET HE2 H 1 1.604 0.001 . . . . . A 52 MET HE2 . 25663 1
599 . 1 1 52 52 MET HE3 H 1 1.604 0.001 . . . . . A 52 MET HE3 . 25663 1
600 . 1 1 52 52 MET C C 13 174.575 0.000 . . . . . A 52 MET C . 25663 1
601 . 1 1 52 52 MET CA C 13 54.277 0.071 . . . . . A 52 MET CA . 25663 1
602 . 1 1 52 52 MET CB C 13 39.146 0.062 . . . . . A 52 MET CB . 25663 1
603 . 1 1 52 52 MET CG C 13 32.343 0.078 . . . . . A 52 MET CG . 25663 1
604 . 1 1 52 52 MET CE C 13 16.935 0.012 . . . . . A 52 MET CE . 25663 1
605 . 1 1 52 52 MET N N 15 118.713 0.016 . . . . . A 52 MET N . 25663 1
606 . 1 1 53 53 ALA H H 1 8.517 0.014 . . . . . A 53 ALA H . 25663 1
607 . 1 1 53 53 ALA HA H 1 4.186 0.010 . . . . . A 53 ALA HA . 25663 1
608 . 1 1 53 53 ALA HB1 H 1 1.349 0.011 . . . . . A 53 ALA HB1 . 25663 1
609 . 1 1 53 53 ALA HB2 H 1 1.349 0.011 . . . . . A 53 ALA HB2 . 25663 1
610 . 1 1 53 53 ALA HB3 H 1 1.349 0.011 . . . . . A 53 ALA HB3 . 25663 1
611 . 1 1 53 53 ALA C C 13 178.250 0.000 . . . . . A 53 ALA C . 25663 1
612 . 1 1 53 53 ALA CA C 13 53.791 0.063 . . . . . A 53 ALA CA . 25663 1
613 . 1 1 53 53 ALA CB C 13 19.462 0.068 . . . . . A 53 ALA CB . 25663 1
614 . 1 1 53 53 ALA N N 15 120.116 0.035 . . . . . A 53 ALA N . 25663 1
615 . 1 1 54 54 LYS H H 1 8.866 0.013 . . . . . A 54 LYS H . 25663 1
616 . 1 1 54 54 LYS HA H 1 3.857 0.009 . . . . . A 54 LYS HA . 25663 1
617 . 1 1 54 54 LYS HB2 H 1 2.275 0.009 . . . . . A 54 LYS HB2 . 25663 1
618 . 1 1 54 54 LYS HB3 H 1 1.992 0.012 . . . . . A 54 LYS HB3 . 25663 1
619 . 1 1 54 54 LYS HG2 H 1 1.449 0.009 . . . . . A 54 LYS HG2 . 25663 1
620 . 1 1 54 54 LYS HG3 H 1 1.409 0.013 . . . . . A 54 LYS HG3 . 25663 1
621 . 1 1 54 54 LYS HD2 H 1 1.696 0.008 . . . . . A 54 LYS HD2 . 25663 1
622 . 1 1 54 54 LYS HD3 H 1 1.701 0.000 . . . . . A 54 LYS HD3 . 25663 1
623 . 1 1 54 54 LYS HE2 H 1 2.987 0.012 . . . . . A 54 LYS HE2 . 25663 1
624 . 1 1 54 54 LYS HE3 H 1 2.987 0.012 . . . . . A 54 LYS HE3 . 25663 1
625 . 1 1 54 54 LYS C C 13 175.913 0.000 . . . . . A 54 LYS C . 25663 1
626 . 1 1 54 54 LYS CA C 13 57.608 0.036 . . . . . A 54 LYS CA . 25663 1
627 . 1 1 54 54 LYS CB C 13 29.796 0.081 . . . . . A 54 LYS CB . 25663 1
628 . 1 1 54 54 LYS CG C 13 25.527 0.033 . . . . . A 54 LYS CG . 25663 1
629 . 1 1 54 54 LYS CD C 13 29.096 0.057 . . . . . A 54 LYS CD . 25663 1
630 . 1 1 54 54 LYS CE C 13 42.088 0.000 . . . . . A 54 LYS CE . 25663 1
631 . 1 1 54 54 LYS N N 15 112.641 0.032 . . . . . A 54 LYS N . 25663 1
632 . 1 1 55 55 GLY H H 1 8.239 0.010 . . . . . A 55 GLY H . 25663 1
633 . 1 1 55 55 GLY HA2 H 1 3.684 0.004 . . . . . A 55 GLY HA2 . 25663 1
634 . 1 1 55 55 GLY HA3 H 1 3.939 0.012 . . . . . A 55 GLY HA3 . 25663 1
635 . 1 1 55 55 GLY C C 13 173.820 0.000 . . . . . A 55 GLY C . 25663 1
636 . 1 1 55 55 GLY CA C 13 45.933 0.061 . . . . . A 55 GLY CA . 25663 1
637 . 1 1 55 55 GLY N N 15 104.227 0.024 . . . . . A 55 GLY N . 25663 1
638 . 1 1 56 56 ARG H H 1 6.825 0.019 . . . . . A 56 ARG H . 25663 1
639 . 1 1 56 56 ARG HA H 1 4.771 0.009 . . . . . A 56 ARG HA . 25663 1
640 . 1 1 56 56 ARG HB2 H 1 1.697 0.006 . . . . . A 56 ARG HB2 . 25663 1
641 . 1 1 56 56 ARG HB3 H 1 1.635 0.011 . . . . . A 56 ARG HB3 . 25663 1
642 . 1 1 56 56 ARG HD2 H 1 3.245 0.008 . . . . . A 56 ARG HD2 . 25663 1
643 . 1 1 56 56 ARG HD3 H 1 3.032 0.009 . . . . . A 56 ARG HD3 . 25663 1
644 . 1 1 56 56 ARG HE H 1 7.835 0.014 . . . . . A 56 ARG HE . 25663 1
645 . 1 1 56 56 ARG C C 13 173.828 0.000 . . . . . A 56 ARG C . 25663 1
646 . 1 1 56 56 ARG CA C 13 55.010 0.088 . . . . . A 56 ARG CA . 25663 1
647 . 1 1 56 56 ARG CB C 13 31.939 0.093 . . . . . A 56 ARG CB . 25663 1
648 . 1 1 56 56 ARG CD C 13 43.469 0.066 . . . . . A 56 ARG CD . 25663 1
649 . 1 1 56 56 ARG N N 15 122.045 0.017 . . . . . A 56 ARG N . 25663 1
650 . 1 1 57 57 VAL H H 1 7.084 0.012 . . . . . A 57 VAL H . 25663 1
651 . 1 1 57 57 VAL HA H 1 4.632 0.007 . . . . . A 57 VAL HA . 25663 1
652 . 1 1 57 57 VAL HB H 1 0.822 0.010 . . . . . A 57 VAL HB . 25663 1
653 . 1 1 57 57 VAL HG11 H 1 -0.334 0.013 . . . . . A 57 VAL HG11 . 25663 1
654 . 1 1 57 57 VAL HG12 H 1 -0.334 0.013 . . . . . A 57 VAL HG12 . 25663 1
655 . 1 1 57 57 VAL HG13 H 1 -0.334 0.013 . . . . . A 57 VAL HG13 . 25663 1
656 . 1 1 57 57 VAL HG21 H 1 -0.938 0.012 . . . . . A 57 VAL HG21 . 25663 1
657 . 1 1 57 57 VAL HG22 H 1 -0.938 0.012 . . . . . A 57 VAL HG22 . 25663 1
658 . 1 1 57 57 VAL HG23 H 1 -0.938 0.012 . . . . . A 57 VAL HG23 . 25663 1
659 . 1 1 57 57 VAL C C 13 173.775 0.000 . . . . . A 57 VAL C . 25663 1
660 . 1 1 57 57 VAL CA C 13 59.946 0.024 . . . . . A 57 VAL CA . 25663 1
661 . 1 1 57 57 VAL CB C 13 35.191 0.064 . . . . . A 57 VAL CB . 25663 1
662 . 1 1 57 57 VAL CG1 C 13 24.297 0.067 . . . . . A 57 VAL CG1 . 25663 1
663 . 1 1 57 57 VAL CG2 C 13 21.299 0.055 . . . . . A 57 VAL CG2 . 25663 1
664 . 1 1 57 57 VAL N N 15 122.581 0.019 . . . . . A 57 VAL N . 25663 1
665 . 1 1 58 58 GLY H H 1 8.112 0.009 . . . . . A 58 GLY H . 25663 1
666 . 1 1 58 58 GLY HA2 H 1 3.633 0.004 . . . . . A 58 GLY HA2 . 25663 1
667 . 1 1 58 58 GLY HA3 H 1 3.855 0.006 . . . . . A 58 GLY HA3 . 25663 1
668 . 1 1 58 58 GLY C C 13 171.431 0.000 . . . . . A 58 GLY C . 25663 1
669 . 1 1 58 58 GLY CA C 13 46.285 0.088 . . . . . A 58 GLY CA . 25663 1
670 . 1 1 58 58 GLY N N 15 112.994 0.026 . . . . . A 58 GLY N . 25663 1
671 . 1 1 59 59 TYR H H 1 7.796 0.007 . . . . . A 59 TYR H . 25663 1
672 . 1 1 59 59 TYR HA H 1 4.337 0.017 . . . . . A 59 TYR HA . 25663 1
673 . 1 1 59 59 TYR HB2 H 1 3.647 0.007 . . . . . A 59 TYR HB2 . 25663 1
674 . 1 1 59 59 TYR HB3 H 1 3.148 0.008 . . . . . A 59 TYR HB3 . 25663 1
675 . 1 1 59 59 TYR HD1 H 1 6.466 0.000 . . . . . A 59 TYR HD1 . 25663 1
676 . 1 1 59 59 TYR HD2 H 1 6.466 0.000 . . . . . A 59 TYR HD2 . 25663 1
677 . 1 1 59 59 TYR HE1 H 1 6.626 0.000 . . . . . A 59 TYR HE1 . 25663 1
678 . 1 1 59 59 TYR HE2 H 1 6.626 0.000 . . . . . A 59 TYR HE2 . 25663 1
679 . 1 1 59 59 TYR CA C 13 55.972 0.000 . . . . . A 59 TYR CA . 25663 1
680 . 1 1 59 59 TYR CB C 13 34.363 0.051 . . . . . A 59 TYR CB . 25663 1
681 . 1 1 59 59 TYR N N 15 111.540 0.046 . . . . . A 59 TYR N . 25663 1
682 . 1 1 60 60 PRO HA H 1 4.497 0.009 . . . . . A 60 PRO HA . 25663 1
683 . 1 1 60 60 PRO HB2 H 1 1.834 0.007 . . . . . A 60 PRO HB2 . 25663 1
684 . 1 1 60 60 PRO HB3 H 1 1.600 0.007 . . . . . A 60 PRO HB3 . 25663 1
685 . 1 1 60 60 PRO HG2 H 1 1.795 0.011 . . . . . A 60 PRO HG2 . 25663 1
686 . 1 1 60 60 PRO HG3 H 1 1.795 0.011 . . . . . A 60 PRO HG3 . 25663 1
687 . 1 1 60 60 PRO HD2 H 1 3.704 0.000 . . . . . A 60 PRO HD2 . 25663 1
688 . 1 1 60 60 PRO HD3 H 1 3.655 0.009 . . . . . A 60 PRO HD3 . 25663 1
689 . 1 1 60 60 PRO CA C 13 62.231 0.016 . . . . . A 60 PRO CA . 25663 1
690 . 1 1 60 60 PRO CB C 13 33.314 0.061 . . . . . A 60 PRO CB . 25663 1
691 . 1 1 60 60 PRO CG C 13 26.678 0.080 . . . . . A 60 PRO CG . 25663 1
692 . 1 1 60 60 PRO CD C 13 50.569 0.065 . . . . . A 60 PRO CD . 25663 1
693 . 1 1 61 61 ILE HA H 1 4.444 0.014 . . . . . A 61 ILE HA . 25663 1
694 . 1 1 61 61 ILE HB H 1 2.023 0.013 . . . . . A 61 ILE HB . 25663 1
695 . 1 1 61 61 ILE HG12 H 1 1.331 0.010 . . . . . A 61 ILE HG12 . 25663 1
696 . 1 1 61 61 ILE HG13 H 1 1.331 0.010 . . . . . A 61 ILE HG13 . 25663 1
697 . 1 1 61 61 ILE HG21 H 1 0.969 0.006 . . . . . A 61 ILE HG21 . 25663 1
698 . 1 1 61 61 ILE HG22 H 1 0.969 0.006 . . . . . A 61 ILE HG22 . 25663 1
699 . 1 1 61 61 ILE HG23 H 1 0.969 0.006 . . . . . A 61 ILE HG23 . 25663 1
700 . 1 1 61 61 ILE HD11 H 1 0.533 0.005 . . . . . A 61 ILE HD11 . 25663 1
701 . 1 1 61 61 ILE HD12 H 1 0.533 0.005 . . . . . A 61 ILE HD12 . 25663 1
702 . 1 1 61 61 ILE HD13 H 1 0.533 0.005 . . . . . A 61 ILE HD13 . 25663 1
703 . 1 1 61 61 ILE CA C 13 56.601 0.128 . . . . . A 61 ILE CA . 25663 1
704 . 1 1 61 61 ILE CB C 13 38.417 0.083 . . . . . A 61 ILE CB . 25663 1
705 . 1 1 61 61 ILE CG2 C 13 18.341 0.053 . . . . . A 61 ILE CG2 . 25663 1
706 . 1 1 61 61 ILE CD1 C 13 9.658 0.084 . . . . . A 61 ILE CD1 . 25663 1
707 . 1 1 62 62 VAL H H 1 11.229 0.019 . . . . . A 62 VAL H . 25663 1
708 . 1 1 62 62 VAL HA H 1 3.935 0.006 . . . . . A 62 VAL HA . 25663 1
709 . 1 1 62 62 VAL HB H 1 2.055 0.012 . . . . . A 62 VAL HB . 25663 1
710 . 1 1 62 62 VAL HG11 H 1 0.924 0.003 . . . . . A 62 VAL HG11 . 25663 1
711 . 1 1 62 62 VAL HG12 H 1 0.924 0.003 . . . . . A 62 VAL HG12 . 25663 1
712 . 1 1 62 62 VAL HG13 H 1 0.924 0.003 . . . . . A 62 VAL HG13 . 25663 1
713 . 1 1 62 62 VAL HG21 H 1 0.919 0.006 . . . . . A 62 VAL HG21 . 25663 1
714 . 1 1 62 62 VAL HG22 H 1 0.919 0.006 . . . . . A 62 VAL HG22 . 25663 1
715 . 1 1 62 62 VAL HG23 H 1 0.919 0.006 . . . . . A 62 VAL HG23 . 25663 1
716 . 1 1 62 62 VAL CA C 13 64.377 0.053 . . . . . A 62 VAL CA . 25663 1
717 . 1 1 62 62 VAL CB C 13 34.087 0.025 . . . . . A 62 VAL CB . 25663 1
718 . 1 1 62 62 VAL CG1 C 13 22.984 0.058 . . . . . A 62 VAL CG1 . 25663 1
719 . 1 1 62 62 VAL CG2 C 13 21.299 0.125 . . . . . A 62 VAL CG2 . 25663 1
720 . 1 1 63 63 LYS H H 1 7.501 0.016 . . . . . A 63 LYS H . 25663 1
721 . 1 1 63 63 LYS HA H 1 4.753 0.006 . . . . . A 63 LYS HA . 25663 1
722 . 1 1 63 63 LYS HB2 H 1 1.572 0.014 . . . . . A 63 LYS HB2 . 25663 1
723 . 1 1 63 63 LYS HB3 H 1 1.405 0.003 . . . . . A 63 LYS HB3 . 25663 1
724 . 1 1 63 63 LYS HG2 H 1 1.206 0.009 . . . . . A 63 LYS HG2 . 25663 1
725 . 1 1 63 63 LYS HG3 H 1 1.206 0.009 . . . . . A 63 LYS HG3 . 25663 1
726 . 1 1 63 63 LYS HD2 H 1 1.429 0.015 . . . . . A 63 LYS HD2 . 25663 1
727 . 1 1 63 63 LYS HD3 H 1 1.429 0.015 . . . . . A 63 LYS HD3 . 25663 1
728 . 1 1 63 63 LYS HE2 H 1 2.962 0.011 . . . . . A 63 LYS HE2 . 25663 1
729 . 1 1 63 63 LYS HE3 H 1 2.721 0.018 . . . . . A 63 LYS HE3 . 25663 1
730 . 1 1 63 63 LYS CA C 13 52.473 0.014 . . . . . A 63 LYS CA . 25663 1
731 . 1 1 63 63 LYS CB C 13 32.983 0.087 . . . . . A 63 LYS CB . 25663 1
732 . 1 1 63 63 LYS CG C 13 24.409 0.082 . . . . . A 63 LYS CG . 25663 1
733 . 1 1 63 63 LYS CD C 13 29.814 0.000 . . . . . A 63 LYS CD . 25663 1
734 . 1 1 63 63 LYS CE C 13 41.992 0.105 . . . . . A 63 LYS CE . 25663 1
735 . 1 1 63 63 LYS N N 15 122.578 0.035 . . . . . A 63 LYS N . 25663 1
736 . 1 1 64 64 PRO HA H 1 4.362 0.004 . . . . . A 64 PRO HA . 25663 1
737 . 1 1 64 64 PRO HB2 H 1 2.190 0.031 . . . . . A 64 PRO HB2 . 25663 1
738 . 1 1 64 64 PRO HB3 H 1 1.870 0.016 . . . . . A 64 PRO HB3 . 25663 1
739 . 1 1 64 64 PRO HG2 H 1 1.954 0.000 . . . . . A 64 PRO HG2 . 25663 1
740 . 1 1 64 64 PRO HG3 H 1 1.857 0.030 . . . . . A 64 PRO HG3 . 25663 1
741 . 1 1 64 64 PRO HD2 H 1 3.699 0.002 . . . . . A 64 PRO HD2 . 25663 1
742 . 1 1 64 64 PRO HD3 H 1 3.635 0.003 . . . . . A 64 PRO HD3 . 25663 1
743 . 1 1 64 64 PRO CA C 13 63.124 0.039 . . . . . A 64 PRO CA . 25663 1
744 . 1 1 64 64 PRO CB C 13 32.121 0.000 . . . . . A 64 PRO CB . 25663 1
745 . 1 1 64 64 PRO CG C 13 27.291 0.021 . . . . . A 64 PRO CG . 25663 1
746 . 1 1 64 64 PRO CD C 13 50.565 0.076 . . . . . A 64 PRO CD . 25663 1
747 . 1 1 65 65 GLY H H 1 8.377 0.000 . . . . . A 65 GLY H . 25663 1
748 . 1 1 65 65 GLY HA2 H 1 3.756 0.009 . . . . . A 65 GLY HA2 . 25663 1
749 . 1 1 65 65 GLY HA3 H 1 4.361 0.012 . . . . . A 65 GLY HA3 . 25663 1
750 . 1 1 65 65 GLY CA C 13 45.512 0.025 . . . . . A 65 GLY CA . 25663 1
751 . 1 1 66 66 PRO HA H 1 4.010 0.011 . . . . . A 66 PRO HA . 25663 1
752 . 1 1 66 66 PRO HB2 H 1 2.242 0.013 . . . . . A 66 PRO HB2 . 25663 1
753 . 1 1 66 66 PRO HB3 H 1 1.871 0.013 . . . . . A 66 PRO HB3 . 25663 1
754 . 1 1 66 66 PRO HG2 H 1 1.958 0.000 . . . . . A 66 PRO HG2 . 25663 1
755 . 1 1 66 66 PRO HG3 H 1 1.916 0.020 . . . . . A 66 PRO HG3 . 25663 1
756 . 1 1 66 66 PRO HD2 H 1 3.624 0.008 . . . . . A 66 PRO HD2 . 25663 1
757 . 1 1 66 66 PRO HD3 H 1 3.532 0.023 . . . . . A 66 PRO HD3 . 25663 1
758 . 1 1 66 66 PRO C C 13 177.072 0.000 . . . . . A 66 PRO C . 25663 1
759 . 1 1 66 66 PRO CA C 13 64.765 0.082 . . . . . A 66 PRO CA . 25663 1
760 . 1 1 66 66 PRO CB C 13 32.121 0.081 . . . . . A 66 PRO CB . 25663 1
761 . 1 1 66 66 PRO CG C 13 27.108 0.088 . . . . . A 66 PRO CG . 25663 1
762 . 1 1 66 66 PRO CD C 13 50.153 0.109 . . . . . A 66 PRO CD . 25663 1
763 . 1 1 67 67 ASN H H 1 8.330 0.014 . . . . . A 67 ASN H . 25663 1
764 . 1 1 67 67 ASN HA H 1 4.995 0.014 . . . . . A 67 ASN HA . 25663 1
765 . 1 1 67 67 ASN HB2 H 1 2.850 0.022 . . . . . A 67 ASN HB2 . 25663 1
766 . 1 1 67 67 ASN HB3 H 1 2.627 0.013 . . . . . A 67 ASN HB3 . 25663 1
767 . 1 1 67 67 ASN HD21 H 1 7.361 0.007 . . . . . A 67 ASN HD21 . 25663 1
768 . 1 1 67 67 ASN HD22 H 1 6.913 0.037 . . . . . A 67 ASN HD22 . 25663 1
769 . 1 1 67 67 ASN C C 13 173.872 0.000 . . . . . A 67 ASN C . 25663 1
770 . 1 1 67 67 ASN CA C 13 52.349 0.071 . . . . . A 67 ASN CA . 25663 1
771 . 1 1 67 67 ASN CB C 13 38.955 0.092 . . . . . A 67 ASN CB . 25663 1
772 . 1 1 67 67 ASN N N 15 114.419 0.024 . . . . . A 67 ASN N . 25663 1
773 . 1 1 67 67 ASN ND2 N 15 113.511 0.078 . . . . . A 67 ASN ND2 . 25663 1
774 . 1 1 68 68 CYS H H 1 7.327 0.005 . . . . . A 68 CYS H . 25663 1
775 . 1 1 68 68 CYS HA H 1 5.034 0.013 . . . . . A 68 CYS HA . 25663 1
776 . 1 1 68 68 CYS HB2 H 1 3.226 0.011 . . . . . A 68 CYS HB2 . 25663 1
777 . 1 1 68 68 CYS HB3 H 1 2.942 0.009 . . . . . A 68 CYS HB3 . 25663 1
778 . 1 1 68 68 CYS CA C 13 54.247 0.022 . . . . . A 68 CYS CA . 25663 1
779 . 1 1 68 68 CYS CB C 13 44.260 0.087 . . . . . A 68 CYS CB . 25663 1
780 . 1 1 68 68 CYS N N 15 118.995 0.071 . . . . . A 68 CYS N . 25663 1
781 . 1 1 70 70 PHE HA H 1 4.305 0.006 . . . . . A 70 PHE HA . 25663 1
782 . 1 1 70 70 PHE HB2 H 1 3.314 0.004 . . . . . A 70 PHE HB2 . 25663 1
783 . 1 1 70 70 PHE HB3 H 1 3.027 0.008 . . . . . A 70 PHE HB3 . 25663 1
784 . 1 1 70 70 PHE HD1 H 1 7.207 0.001 . . . . . A 70 PHE HD1 . 25663 1
785 . 1 1 70 70 PHE HD2 H 1 7.207 0.001 . . . . . A 70 PHE HD2 . 25663 1
786 . 1 1 70 70 PHE CA C 13 58.889 0.034 . . . . . A 70 PHE CA . 25663 1
787 . 1 1 70 70 PHE CB C 13 36.557 0.094 . . . . . A 70 PHE CB . 25663 1
788 . 1 1 71 71 GLY H H 1 7.339 0.010 . . . . . A 71 GLY H . 25663 1
789 . 1 1 71 71 GLY HA2 H 1 3.473 0.004 . . . . . A 71 GLY HA2 . 25663 1
790 . 1 1 71 71 GLY HA3 H 1 3.939 0.007 . . . . . A 71 GLY HA3 . 25663 1
791 . 1 1 71 71 GLY CA C 13 46.043 0.050 . . . . . A 71 GLY CA . 25663 1
792 . 1 1 71 71 GLY N N 15 105.368 0.054 . . . . . A 71 GLY N . 25663 1
793 . 1 1 72 72 LYS H H 1 6.946 0.017 . . . . . A 72 LYS H . 25663 1
794 . 1 1 72 72 LYS HA H 1 4.264 0.004 . . . . . A 72 LYS HA . 25663 1
795 . 1 1 72 72 LYS HB2 H 1 1.684 0.007 . . . . . A 72 LYS HB2 . 25663 1
796 . 1 1 72 72 LYS HB3 H 1 1.684 0.007 . . . . . A 72 LYS HB3 . 25663 1
797 . 1 1 72 72 LYS HG2 H 1 1.339 0.007 . . . . . A 72 LYS HG2 . 25663 1
798 . 1 1 72 72 LYS HG3 H 1 1.339 0.007 . . . . . A 72 LYS HG3 . 25663 1
799 . 1 1 72 72 LYS HD2 H 1 1.592 0.009 . . . . . A 72 LYS HD2 . 25663 1
800 . 1 1 72 72 LYS HD3 H 1 1.592 0.009 . . . . . A 72 LYS HD3 . 25663 1
801 . 1 1 72 72 LYS HE2 H 1 2.920 0.008 . . . . . A 72 LYS HE2 . 25663 1
802 . 1 1 72 72 LYS HE3 H 1 2.920 0.008 . . . . . A 72 LYS HE3 . 25663 1
803 . 1 1 72 72 LYS C C 13 175.440 0.000 . . . . . A 72 LYS C . 25663 1
804 . 1 1 72 72 LYS CA C 13 56.413 0.073 . . . . . A 72 LYS CA . 25663 1
805 . 1 1 72 72 LYS CB C 13 33.686 0.132 . . . . . A 72 LYS CB . 25663 1
806 . 1 1 72 72 LYS CG C 13 25.324 0.000 . . . . . A 72 LYS CG . 25663 1
807 . 1 1 72 72 LYS CD C 13 29.069 0.064 . . . . . A 72 LYS CD . 25663 1
808 . 1 1 72 72 LYS CE C 13 42.073 0.003 . . . . . A 72 LYS CE . 25663 1
809 . 1 1 72 72 LYS N N 15 120.404 0.067 . . . . . A 72 LYS N . 25663 1
810 . 1 1 73 73 THR H H 1 7.911 0.008 . . . . . A 73 THR H . 25663 1
811 . 1 1 73 73 THR HA H 1 4.233 0.010 . . . . . A 73 THR HA . 25663 1
812 . 1 1 73 73 THR HB H 1 3.996 0.006 . . . . . A 73 THR HB . 25663 1
813 . 1 1 73 73 THR HG21 H 1 1.025 0.012 . . . . . A 73 THR HG21 . 25663 1
814 . 1 1 73 73 THR HG22 H 1 1.025 0.012 . . . . . A 73 THR HG22 . 25663 1
815 . 1 1 73 73 THR HG23 H 1 1.025 0.012 . . . . . A 73 THR HG23 . 25663 1
816 . 1 1 73 73 THR C C 13 173.774 0.000 . . . . . A 73 THR C . 25663 1
817 . 1 1 73 73 THR CA C 13 60.879 0.061 . . . . . A 73 THR CA . 25663 1
818 . 1 1 73 73 THR CB C 13 70.841 0.046 . . . . . A 73 THR CB . 25663 1
819 . 1 1 73 73 THR CG2 C 13 21.963 0.012 . . . . . A 73 THR CG2 . 25663 1
820 . 1 1 73 73 THR N N 15 110.334 0.032 . . . . . A 73 THR N . 25663 1
821 . 1 1 74 74 GLY H H 1 7.904 0.010 . . . . . A 74 GLY H . 25663 1
822 . 1 1 74 74 GLY HA2 H 1 3.347 0.005 . . . . . A 74 GLY HA2 . 25663 1
823 . 1 1 74 74 GLY HA3 H 1 4.431 0.023 . . . . . A 74 GLY HA3 . 25663 1
824 . 1 1 74 74 GLY C C 13 172.715 0.000 . . . . . A 74 GLY C . 25663 1
825 . 1 1 74 74 GLY CA C 13 43.404 0.036 . . . . . A 74 GLY CA . 25663 1
826 . 1 1 74 74 GLY N N 15 109.589 0.058 . . . . . A 74 GLY N . 25663 1
827 . 1 1 75 75 ILE H H 1 8.265 0.006 . . . . . A 75 ILE H . 25663 1
828 . 1 1 75 75 ILE HA H 1 4.221 0.011 . . . . . A 75 ILE HA . 25663 1
829 . 1 1 75 75 ILE HB H 1 1.603 0.011 . . . . . A 75 ILE HB . 25663 1
830 . 1 1 75 75 ILE HG12 H 1 0.905 0.011 . . . . . A 75 ILE HG12 . 25663 1
831 . 1 1 75 75 ILE HG13 H 1 0.752 0.022 . . . . . A 75 ILE HG13 . 25663 1
832 . 1 1 75 75 ILE HG21 H 1 0.197 0.009 . . . . . A 75 ILE HG21 . 25663 1
833 . 1 1 75 75 ILE HG22 H 1 0.197 0.009 . . . . . A 75 ILE HG22 . 25663 1
834 . 1 1 75 75 ILE HG23 H 1 0.197 0.009 . . . . . A 75 ILE HG23 . 25663 1
835 . 1 1 75 75 ILE HD11 H 1 0.058 0.005 . . . . . A 75 ILE HD11 . 25663 1
836 . 1 1 75 75 ILE HD12 H 1 0.058 0.005 . . . . . A 75 ILE HD12 . 25663 1
837 . 1 1 75 75 ILE HD13 H 1 0.058 0.005 . . . . . A 75 ILE HD13 . 25663 1
838 . 1 1 75 75 ILE C C 13 176.249 0.000 . . . . . A 75 ILE C . 25663 1
839 . 1 1 75 75 ILE CA C 13 59.422 0.063 . . . . . A 75 ILE CA . 25663 1
840 . 1 1 75 75 ILE CB C 13 36.008 0.098 . . . . . A 75 ILE CB . 25663 1
841 . 1 1 75 75 ILE CG1 C 13 27.408 0.099 . . . . . A 75 ILE CG1 . 25663 1
842 . 1 1 75 75 ILE CG2 C 13 16.577 0.023 . . . . . A 75 ILE CG2 . 25663 1
843 . 1 1 75 75 ILE CD1 C 13 11.740 0.021 . . . . . A 75 ILE CD1 . 25663 1
844 . 1 1 75 75 ILE N N 15 120.787 0.028 . . . . . A 75 ILE N . 25663 1
845 . 1 1 76 76 ILE H H 1 8.660 0.012 . . . . . A 76 ILE H . 25663 1
846 . 1 1 76 76 ILE HA H 1 3.587 0.010 . . . . . A 76 ILE HA . 25663 1
847 . 1 1 76 76 ILE HB H 1 0.190 0.003 . . . . . A 76 ILE HB . 25663 1
848 . 1 1 76 76 ILE HG12 H 1 0.912 0.011 . . . . . A 76 ILE HG12 . 25663 1
849 . 1 1 76 76 ILE HG13 H 1 0.689 0.025 . . . . . A 76 ILE HG13 . 25663 1
850 . 1 1 76 76 ILE HG21 H 1 0.598 0.010 . . . . . A 76 ILE HG21 . 25663 1
851 . 1 1 76 76 ILE HG22 H 1 0.598 0.010 . . . . . A 76 ILE HG22 . 25663 1
852 . 1 1 76 76 ILE HG23 H 1 0.598 0.010 . . . . . A 76 ILE HG23 . 25663 1
853 . 1 1 76 76 ILE HD11 H 1 0.265 0.020 . . . . . A 76 ILE HD11 . 25663 1
854 . 1 1 76 76 ILE HD12 H 1 0.265 0.020 . . . . . A 76 ILE HD12 . 25663 1
855 . 1 1 76 76 ILE HD13 H 1 0.265 0.020 . . . . . A 76 ILE HD13 . 25663 1
856 . 1 1 76 76 ILE C C 13 173.769 0.000 . . . . . A 76 ILE C . 25663 1
857 . 1 1 76 76 ILE CA C 13 59.599 0.051 . . . . . A 76 ILE CA . 25663 1
858 . 1 1 76 76 ILE CB C 13 33.139 0.101 . . . . . A 76 ILE CB . 25663 1
859 . 1 1 76 76 ILE CG1 C 13 27.596 0.047 . . . . . A 76 ILE CG1 . 25663 1
860 . 1 1 76 76 ILE CG2 C 13 17.725 0.054 . . . . . A 76 ILE CG2 . 25663 1
861 . 1 1 76 76 ILE CD1 C 13 9.828 0.043 . . . . . A 76 ILE CD1 . 25663 1
862 . 1 1 76 76 ILE N N 15 134.542 0.036 . . . . . A 76 ILE N . 25663 1
863 . 1 1 77 77 ASP H H 1 7.925 0.006 . . . . . A 77 ASP H . 25663 1
864 . 1 1 77 77 ASP HA H 1 4.790 0.004 . . . . . A 77 ASP HA . 25663 1
865 . 1 1 77 77 ASP HB2 H 1 2.864 0.004 . . . . . A 77 ASP HB2 . 25663 1
866 . 1 1 77 77 ASP HB3 H 1 2.375 0.004 . . . . . A 77 ASP HB3 . 25663 1
867 . 1 1 77 77 ASP C C 13 176.390 0.000 . . . . . A 77 ASP C . 25663 1
868 . 1 1 77 77 ASP CA C 13 52.927 0.040 . . . . . A 77 ASP CA . 25663 1
869 . 1 1 77 77 ASP CB C 13 44.224 0.085 . . . . . A 77 ASP CB . 25663 1
870 . 1 1 77 77 ASP N N 15 126.213 0.037 . . . . . A 77 ASP N . 25663 1
871 . 1 1 78 78 TYR H H 1 9.313 0.016 . . . . . A 78 TYR H . 25663 1
872 . 1 1 78 78 TYR HA H 1 4.780 0.010 . . . . . A 78 TYR HA . 25663 1
873 . 1 1 78 78 TYR HB2 H 1 3.093 0.005 . . . . . A 78 TYR HB2 . 25663 1
874 . 1 1 78 78 TYR HB3 H 1 2.742 0.015 . . . . . A 78 TYR HB3 . 25663 1
875 . 1 1 78 78 TYR HD1 H 1 6.656 0.041 . . . . . A 78 TYR HD1 . 25663 1
876 . 1 1 78 78 TYR HD2 H 1 6.656 0.041 . . . . . A 78 TYR HD2 . 25663 1
877 . 1 1 78 78 TYR HE1 H 1 6.507 0.000 . . . . . A 78 TYR HE1 . 25663 1
878 . 1 1 78 78 TYR HE2 H 1 6.507 0.000 . . . . . A 78 TYR HE2 . 25663 1
879 . 1 1 78 78 TYR C C 13 177.025 0.000 . . . . . A 78 TYR C . 25663 1
880 . 1 1 78 78 TYR CA C 13 54.257 0.000 . . . . . A 78 TYR CA . 25663 1
881 . 1 1 78 78 TYR CB C 13 36.513 0.093 . . . . . A 78 TYR CB . 25663 1
882 . 1 1 78 78 TYR N N 15 126.424 0.043 . . . . . A 78 TYR N . 25663 1
883 . 1 1 79 79 GLY H H 1 8.880 0.009 . . . . . A 79 GLY H . 25663 1
884 . 1 1 79 79 GLY HA2 H 1 3.680 0.002 . . . . . A 79 GLY HA2 . 25663 1
885 . 1 1 79 79 GLY HA3 H 1 4.081 0.004 . . . . . A 79 GLY HA3 . 25663 1
886 . 1 1 79 79 GLY C C 13 172.389 0.000 . . . . . A 79 GLY C . 25663 1
887 . 1 1 79 79 GLY CA C 13 44.317 0.070 . . . . . A 79 GLY CA . 25663 1
888 . 1 1 79 79 GLY N N 15 110.776 0.029 . . . . . A 79 GLY N . 25663 1
889 . 1 1 80 80 ILE H H 1 8.189 0.006 . . . . . A 80 ILE H . 25663 1
890 . 1 1 80 80 ILE HA H 1 3.897 0.007 . . . . . A 80 ILE HA . 25663 1
891 . 1 1 80 80 ILE HB H 1 1.754 0.011 . . . . . A 80 ILE HB . 25663 1
892 . 1 1 80 80 ILE HG12 H 1 1.480 0.009 . . . . . A 80 ILE HG12 . 25663 1
893 . 1 1 80 80 ILE HG13 H 1 1.132 0.006 . . . . . A 80 ILE HG13 . 25663 1
894 . 1 1 80 80 ILE HG21 H 1 0.813 0.006 . . . . . A 80 ILE HG21 . 25663 1
895 . 1 1 80 80 ILE HG22 H 1 0.813 0.006 . . . . . A 80 ILE HG22 . 25663 1
896 . 1 1 80 80 ILE HG23 H 1 0.813 0.006 . . . . . A 80 ILE HG23 . 25663 1
897 . 1 1 80 80 ILE HD11 H 1 0.769 0.015 . . . . . A 80 ILE HD11 . 25663 1
898 . 1 1 80 80 ILE HD12 H 1 0.769 0.015 . . . . . A 80 ILE HD12 . 25663 1
899 . 1 1 80 80 ILE HD13 H 1 0.769 0.015 . . . . . A 80 ILE HD13 . 25663 1
900 . 1 1 80 80 ILE C C 13 177.495 0.000 . . . . . A 80 ILE C . 25663 1
901 . 1 1 80 80 ILE CA C 13 61.293 0.043 . . . . . A 80 ILE CA . 25663 1
902 . 1 1 80 80 ILE CB C 13 36.412 0.051 . . . . . A 80 ILE CB . 25663 1
903 . 1 1 80 80 ILE CG1 C 13 27.553 0.068 . . . . . A 80 ILE CG1 . 25663 1
904 . 1 1 80 80 ILE CG2 C 13 17.476 0.047 . . . . . A 80 ILE CG2 . 25663 1
905 . 1 1 80 80 ILE CD1 C 13 11.722 0.050 . . . . . A 80 ILE CD1 . 25663 1
906 . 1 1 80 80 ILE N N 15 117.437 0.039 . . . . . A 80 ILE N . 25663 1
907 . 1 1 81 81 ARG H H 1 8.367 0.009 . . . . . A 81 ARG H . 25663 1
908 . 1 1 81 81 ARG HA H 1 4.367 0.009 . . . . . A 81 ARG HA . 25663 1
909 . 1 1 81 81 ARG HB2 H 1 2.111 0.015 . . . . . A 81 ARG HB2 . 25663 1
910 . 1 1 81 81 ARG HB3 H 1 2.111 0.015 . . . . . A 81 ARG HB3 . 25663 1
911 . 1 1 81 81 ARG HG2 H 1 1.892 0.007 . . . . . A 81 ARG HG2 . 25663 1
912 . 1 1 81 81 ARG HG3 H 1 1.563 0.011 . . . . . A 81 ARG HG3 . 25663 1
913 . 1 1 81 81 ARG HD2 H 1 2.771 0.010 . . . . . A 81 ARG HD2 . 25663 1
914 . 1 1 81 81 ARG HD3 H 1 2.773 0.010 . . . . . A 81 ARG HD3 . 25663 1
915 . 1 1 81 81 ARG HE H 1 9.812 0.026 . . . . . A 81 ARG HE . 25663 1
916 . 1 1 81 81 ARG CA C 13 52.745 0.033 . . . . . A 81 ARG CA . 25663 1
917 . 1 1 81 81 ARG CB C 13 27.133 0.116 . . . . . A 81 ARG CB . 25663 1
918 . 1 1 81 81 ARG CG C 13 25.428 0.051 . . . . . A 81 ARG CG . 25663 1
919 . 1 1 81 81 ARG CD C 13 40.524 0.114 . . . . . A 81 ARG CD . 25663 1
920 . 1 1 81 81 ARG N N 15 128.585 0.029 . . . . . A 81 ARG N . 25663 1
921 . 1 1 82 82 LEU H H 1 8.226 0.007 . . . . . A 82 LEU H . 25663 1
922 . 1 1 82 82 LEU HA H 1 4.145 0.005 . . . . . A 82 LEU HA . 25663 1
923 . 1 1 82 82 LEU HB2 H 1 1.647 0.011 . . . . . A 82 LEU HB2 . 25663 1
924 . 1 1 82 82 LEU HB3 H 1 1.558 0.028 . . . . . A 82 LEU HB3 . 25663 1
925 . 1 1 82 82 LEU HG H 1 1.685 0.005 . . . . . A 82 LEU HG . 25663 1
926 . 1 1 82 82 LEU HD11 H 1 0.885 0.013 . . . . . A 82 LEU HD11 . 25663 1
927 . 1 1 82 82 LEU HD12 H 1 0.885 0.013 . . . . . A 82 LEU HD12 . 25663 1
928 . 1 1 82 82 LEU HD13 H 1 0.885 0.013 . . . . . A 82 LEU HD13 . 25663 1
929 . 1 1 82 82 LEU HD21 H 1 0.829 0.019 . . . . . A 82 LEU HD21 . 25663 1
930 . 1 1 82 82 LEU HD22 H 1 0.829 0.019 . . . . . A 82 LEU HD22 . 25663 1
931 . 1 1 82 82 LEU HD23 H 1 0.829 0.019 . . . . . A 82 LEU HD23 . 25663 1
932 . 1 1 82 82 LEU C C 13 177.546 0.000 . . . . . A 82 LEU C . 25663 1
933 . 1 1 82 82 LEU CA C 13 56.857 0.041 . . . . . A 82 LEU CA . 25663 1
934 . 1 1 82 82 LEU CB C 13 42.266 0.066 . . . . . A 82 LEU CB . 25663 1
935 . 1 1 82 82 LEU CG C 13 27.198 0.061 . . . . . A 82 LEU CG . 25663 1
936 . 1 1 82 82 LEU CD1 C 13 24.620 0.056 . . . . . A 82 LEU CD1 . 25663 1
937 . 1 1 82 82 LEU CD2 C 13 23.482 0.082 . . . . . A 82 LEU CD2 . 25663 1
938 . 1 1 83 83 ASN H H 1 8.628 0.006 . . . . . A 83 ASN H . 25663 1
939 . 1 1 83 83 ASN HA H 1 4.913 0.009 . . . . . A 83 ASN HA . 25663 1
940 . 1 1 83 83 ASN HB2 H 1 3.302 0.006 . . . . . A 83 ASN HB2 . 25663 1
941 . 1 1 83 83 ASN HB3 H 1 2.792 0.006 . . . . . A 83 ASN HB3 . 25663 1
942 . 1 1 83 83 ASN HD21 H 1 7.942 0.006 . . . . . A 83 ASN HD21 . 25663 1
943 . 1 1 83 83 ASN HD22 H 1 7.048 0.013 . . . . . A 83 ASN HD22 . 25663 1
944 . 1 1 83 83 ASN C C 13 175.764 0.000 . . . . . A 83 ASN C . 25663 1
945 . 1 1 83 83 ASN CA C 13 51.627 0.050 . . . . . A 83 ASN CA . 25663 1
946 . 1 1 83 83 ASN CB C 13 37.505 0.049 . . . . . A 83 ASN CB . 25663 1
947 . 1 1 83 83 ASN N N 15 115.779 0.015 . . . . . A 83 ASN N . 25663 1
948 . 1 1 83 83 ASN ND2 N 15 111.949 0.021 . . . . . A 83 ASN ND2 . 25663 1
949 . 1 1 84 84 ARG H H 1 8.593 0.007 . . . . . A 84 ARG H . 25663 1
950 . 1 1 84 84 ARG HA H 1 4.637 0.007 . . . . . A 84 ARG HA . 25663 1
951 . 1 1 84 84 ARG HB2 H 1 2.005 0.009 . . . . . A 84 ARG HB2 . 25663 1
952 . 1 1 84 84 ARG HB3 H 1 1.849 0.009 . . . . . A 84 ARG HB3 . 25663 1
953 . 1 1 84 84 ARG HG2 H 1 1.815 0.014 . . . . . A 84 ARG HG2 . 25663 1
954 . 1 1 84 84 ARG HG3 H 1 1.815 0.014 . . . . . A 84 ARG HG3 . 25663 1
955 . 1 1 84 84 ARG HD2 H 1 2.845 0.007 . . . . . A 84 ARG HD2 . 25663 1
956 . 1 1 84 84 ARG HD3 H 1 2.681 0.019 . . . . . A 84 ARG HD3 . 25663 1
957 . 1 1 84 84 ARG HE H 1 7.413 0.003 . . . . . A 84 ARG HE . 25663 1
958 . 1 1 84 84 ARG C C 13 177.197 0.000 . . . . . A 84 ARG C . 25663 1
959 . 1 1 84 84 ARG CA C 13 56.695 0.071 . . . . . A 84 ARG CA . 25663 1
960 . 1 1 84 84 ARG CB C 13 29.361 0.060 . . . . . A 84 ARG CB . 25663 1
961 . 1 1 84 84 ARG CG C 13 27.948 0.065 . . . . . A 84 ARG CG . 25663 1
962 . 1 1 84 84 ARG CD C 13 42.919 0.054 . . . . . A 84 ARG CD . 25663 1
963 . 1 1 84 84 ARG N N 15 121.554 0.055 . . . . . A 84 ARG N . 25663 1
964 . 1 1 85 85 SER H H 1 8.567 0.006 . . . . . A 85 SER H . 25663 1
965 . 1 1 85 85 SER HA H 1 4.628 0.009 . . . . . A 85 SER HA . 25663 1
966 . 1 1 85 85 SER HB2 H 1 4.065 0.004 . . . . . A 85 SER HB2 . 25663 1
967 . 1 1 85 85 SER HB3 H 1 4.065 0.004 . . . . . A 85 SER HB3 . 25663 1
968 . 1 1 85 85 SER C C 13 174.403 0.000 . . . . . A 85 SER C . 25663 1
969 . 1 1 85 85 SER CA C 13 58.827 0.029 . . . . . A 85 SER CA . 25663 1
970 . 1 1 85 85 SER CB C 13 62.996 0.048 . . . . . A 85 SER CB . 25663 1
971 . 1 1 85 85 SER N N 15 116.623 0.026 . . . . . A 85 SER N . 25663 1
972 . 1 1 86 86 GLU H H 1 7.219 0.016 . . . . . A 86 GLU H . 25663 1
973 . 1 1 86 86 GLU HA H 1 3.864 0.027 . . . . . A 86 GLU HA . 25663 1
974 . 1 1 86 86 GLU HB2 H 1 2.307 0.010 . . . . . A 86 GLU HB2 . 25663 1
975 . 1 1 86 86 GLU HB3 H 1 1.744 0.010 . . . . . A 86 GLU HB3 . 25663 1
976 . 1 1 86 86 GLU HG2 H 1 2.816 0.007 . . . . . A 86 GLU HG2 . 25663 1
977 . 1 1 86 86 GLU HG3 H 1 2.816 0.007 . . . . . A 86 GLU HG3 . 25663 1
978 . 1 1 86 86 GLU C C 13 174.422 0.000 . . . . . A 86 GLU C . 25663 1
979 . 1 1 86 86 GLU CA C 13 57.520 0.023 . . . . . A 86 GLU CA . 25663 1
980 . 1 1 86 86 GLU CB C 13 31.292 0.057 . . . . . A 86 GLU CB . 25663 1
981 . 1 1 86 86 GLU CG C 13 37.042 0.000 . . . . . A 86 GLU CG . 25663 1
982 . 1 1 86 86 GLU N N 15 121.171 0.043 . . . . . A 86 GLU N . 25663 1
983 . 1 1 87 87 ARG H H 1 7.263 0.006 . . . . . A 87 ARG H . 25663 1
984 . 1 1 87 87 ARG HA H 1 4.687 0.012 . . . . . A 87 ARG HA . 25663 1
985 . 1 1 87 87 ARG HB2 H 1 1.272 0.014 . . . . . A 87 ARG HB2 . 25663 1
986 . 1 1 87 87 ARG HB3 H 1 1.097 0.010 . . . . . A 87 ARG HB3 . 25663 1
987 . 1 1 87 87 ARG HG2 H 1 1.542 0.007 . . . . . A 87 ARG HG2 . 25663 1
988 . 1 1 87 87 ARG HG3 H 1 1.542 0.007 . . . . . A 87 ARG HG3 . 25663 1
989 . 1 1 87 87 ARG HD2 H 1 3.042 0.006 . . . . . A 87 ARG HD2 . 25663 1
990 . 1 1 87 87 ARG HD3 H 1 2.991 0.016 . . . . . A 87 ARG HD3 . 25663 1
991 . 1 1 87 87 ARG HE H 1 7.163 0.009 . . . . . A 87 ARG HE . 25663 1
992 . 1 1 87 87 ARG C C 13 173.408 0.000 . . . . . A 87 ARG C . 25663 1
993 . 1 1 87 87 ARG CA C 13 54.387 0.022 . . . . . A 87 ARG CA . 25663 1
994 . 1 1 87 87 ARG CB C 13 31.544 0.086 . . . . . A 87 ARG CB . 25663 1
995 . 1 1 87 87 ARG CG C 13 28.408 0.111 . . . . . A 87 ARG CG . 25663 1
996 . 1 1 87 87 ARG CD C 13 43.632 0.051 . . . . . A 87 ARG CD . 25663 1
997 . 1 1 87 87 ARG N N 15 118.124 0.018 . . . . . A 87 ARG N . 25663 1
998 . 1 1 88 88 TRP H H 1 8.811 0.004 . . . . . A 88 TRP H . 25663 1
999 . 1 1 88 88 TRP HA H 1 4.899 0.007 . . . . . A 88 TRP HA . 25663 1
1000 . 1 1 88 88 TRP HB2 H 1 2.977 0.012 . . . . . A 88 TRP HB2 . 25663 1
1001 . 1 1 88 88 TRP HB3 H 1 2.283 0.009 . . . . . A 88 TRP HB3 . 25663 1
1002 . 1 1 88 88 TRP HD1 H 1 5.568 0.021 . . . . . A 88 TRP HD1 . 25663 1
1003 . 1 1 88 88 TRP HE1 H 1 10.326 0.069 . . . . . A 88 TRP HE1 . 25663 1
1004 . 1 1 88 88 TRP HE3 H 1 6.151 0.015 . . . . . A 88 TRP HE3 . 25663 1
1005 . 1 1 88 88 TRP HZ2 H 1 7.353 0.000 . . . . . A 88 TRP HZ2 . 25663 1
1006 . 1 1 88 88 TRP CA C 13 54.508 0.054 . . . . . A 88 TRP CA . 25663 1
1007 . 1 1 88 88 TRP CB C 13 33.610 0.046 . . . . . A 88 TRP CB . 25663 1
1008 . 1 1 88 88 TRP N N 15 121.383 0.039 . . . . . A 88 TRP N . 25663 1
1009 . 1 1 88 88 TRP NE1 N 15 128.681 0.055 . . . . . A 88 TRP NE1 . 25663 1
1010 . 1 1 89 89 ASP H H 1 8.552 0.009 . . . . . A 89 ASP H . 25663 1
1011 . 1 1 89 89 ASP HA H 1 5.602 0.008 . . . . . A 89 ASP HA . 25663 1
1012 . 1 1 89 89 ASP HB2 H 1 3.169 0.007 . . . . . A 89 ASP HB2 . 25663 1
1013 . 1 1 89 89 ASP HB3 H 1 2.928 0.007 . . . . . A 89 ASP HB3 . 25663 1
1014 . 1 1 89 89 ASP C C 13 173.648 0.000 . . . . . A 89 ASP C . 25663 1
1015 . 1 1 89 89 ASP CA C 13 54.558 0.043 . . . . . A 89 ASP CA . 25663 1
1016 . 1 1 89 89 ASP CB C 13 40.438 0.046 . . . . . A 89 ASP CB . 25663 1
1017 . 1 1 89 89 ASP N N 15 119.285 0.069 . . . . . A 89 ASP N . 25663 1
1018 . 1 1 90 90 ALA H H 1 8.449 0.012 . . . . . A 90 ALA H . 25663 1
1019 . 1 1 90 90 ALA HA H 1 5.095 0.013 . . . . . A 90 ALA HA . 25663 1
1020 . 1 1 90 90 ALA HB1 H 1 1.198 0.010 . . . . . A 90 ALA HB1 . 25663 1
1021 . 1 1 90 90 ALA HB2 H 1 1.198 0.010 . . . . . A 90 ALA HB2 . 25663 1
1022 . 1 1 90 90 ALA HB3 H 1 1.198 0.010 . . . . . A 90 ALA HB3 . 25663 1
1023 . 1 1 90 90 ALA C C 13 175.076 0.000 . . . . . A 90 ALA C . 25663 1
1024 . 1 1 90 90 ALA CA C 13 52.089 0.030 . . . . . A 90 ALA CA . 25663 1
1025 . 1 1 90 90 ALA CB C 13 23.118 0.051 . . . . . A 90 ALA CB . 25663 1
1026 . 1 1 90 90 ALA N N 15 121.014 0.035 . . . . . A 90 ALA N . 25663 1
1027 . 1 1 91 91 TYR H H 1 8.421 0.007 . . . . . A 91 TYR H . 25663 1
1028 . 1 1 91 91 TYR HA H 1 5.072 0.011 . . . . . A 91 TYR HA . 25663 1
1029 . 1 1 91 91 TYR HB2 H 1 2.802 0.009 . . . . . A 91 TYR HB2 . 25663 1
1030 . 1 1 91 91 TYR HB3 H 1 2.565 0.008 . . . . . A 91 TYR HB3 . 25663 1
1031 . 1 1 91 91 TYR HD1 H 1 6.936 0.022 . . . . . A 91 TYR HD1 . 25663 1
1032 . 1 1 91 91 TYR HD2 H 1 6.936 0.022 . . . . . A 91 TYR HD2 . 25663 1
1033 . 1 1 91 91 TYR HE1 H 1 7.083 0.003 . . . . . A 91 TYR HE1 . 25663 1
1034 . 1 1 91 91 TYR HE2 H 1 7.083 0.003 . . . . . A 91 TYR HE2 . 25663 1
1035 . 1 1 91 91 TYR C C 13 174.671 0.000 . . . . . A 91 TYR C . 25663 1
1036 . 1 1 91 91 TYR CA C 13 58.787 0.067 . . . . . A 91 TYR CA . 25663 1
1037 . 1 1 91 91 TYR CB C 13 40.686 0.092 . . . . . A 91 TYR CB . 25663 1
1038 . 1 1 91 91 TYR N N 15 118.243 0.023 . . . . . A 91 TYR N . 25663 1
1039 . 1 1 92 92 CYS H H 1 8.459 0.009 . . . . . A 92 CYS H . 25663 1
1040 . 1 1 92 92 CYS HA H 1 5.263 0.006 . . . . . A 92 CYS HA . 25663 1
1041 . 1 1 92 92 CYS HB2 H 1 2.891 0.013 . . . . . A 92 CYS HB2 . 25663 1
1042 . 1 1 92 92 CYS HB3 H 1 0.945 0.019 . . . . . A 92 CYS HB3 . 25663 1
1043 . 1 1 92 92 CYS C C 13 172.698 0.000 . . . . . A 92 CYS C . 25663 1
1044 . 1 1 92 92 CYS CA C 13 50.601 0.058 . . . . . A 92 CYS CA . 25663 1
1045 . 1 1 92 92 CYS CB C 13 37.818 0.079 . . . . . A 92 CYS CB . 25663 1
1046 . 1 1 92 92 CYS N N 15 119.931 0.046 . . . . . A 92 CYS N . 25663 1
1047 . 1 1 93 93 TYR H H 1 9.410 0.010 . . . . . A 93 TYR H . 25663 1
1048 . 1 1 93 93 TYR HA H 1 4.903 0.013 . . . . . A 93 TYR HA . 25663 1
1049 . 1 1 93 93 TYR HB2 H 1 2.765 0.017 . . . . . A 93 TYR HB2 . 25663 1
1050 . 1 1 93 93 TYR HB3 H 1 2.575 0.007 . . . . . A 93 TYR HB3 . 25663 1
1051 . 1 1 93 93 TYR HD1 H 1 6.818 0.019 . . . . . A 93 TYR HD1 . 25663 1
1052 . 1 1 93 93 TYR HD2 H 1 6.818 0.019 . . . . . A 93 TYR HD2 . 25663 1
1053 . 1 1 93 93 TYR HE1 H 1 6.747 0.024 . . . . . A 93 TYR HE1 . 25663 1
1054 . 1 1 93 93 TYR HE2 H 1 6.747 0.024 . . . . . A 93 TYR HE2 . 25663 1
1055 . 1 1 93 93 TYR C C 13 173.902 0.000 . . . . . A 93 TYR C . 25663 1
1056 . 1 1 93 93 TYR CA C 13 57.096 0.130 . . . . . A 93 TYR CA . 25663 1
1057 . 1 1 93 93 TYR CB C 13 41.665 0.092 . . . . . A 93 TYR CB . 25663 1
1058 . 1 1 93 93 TYR N N 15 120.805 0.073 . . . . . A 93 TYR N . 25663 1
1059 . 1 1 94 94 ASN H H 1 7.832 0.003 . . . . . A 94 ASN H . 25663 1
1060 . 1 1 94 94 ASN HA H 1 4.774 0.013 . . . . . A 94 ASN HA . 25663 1
1061 . 1 1 94 94 ASN HB2 H 1 2.802 0.009 . . . . . A 94 ASN HB2 . 25663 1
1062 . 1 1 94 94 ASN HB3 H 1 2.802 0.009 . . . . . A 94 ASN HB3 . 25663 1
1063 . 1 1 94 94 ASN HD21 H 1 7.549 0.002 . . . . . A 94 ASN HD21 . 25663 1
1064 . 1 1 94 94 ASN HD22 H 1 6.886 0.007 . . . . . A 94 ASN HD22 . 25663 1
1065 . 1 1 94 94 ASN CA C 13 49.599 0.009 . . . . . A 94 ASN CA . 25663 1
1066 . 1 1 94 94 ASN CB C 13 41.642 0.013 . . . . . A 94 ASN CB . 25663 1
1067 . 1 1 94 94 ASN N N 15 124.511 0.040 . . . . . A 94 ASN N . 25663 1
1068 . 1 1 94 94 ASN ND2 N 15 112.953 0.042 . . . . . A 94 ASN ND2 . 25663 1
1069 . 1 1 95 95 PRO HA H 1 4.141 0.004 . . . . . A 95 PRO HA . 25663 1
1070 . 1 1 95 95 PRO HB2 H 1 2.253 0.017 . . . . . A 95 PRO HB2 . 25663 1
1071 . 1 1 95 95 PRO HB3 H 1 1.732 0.005 . . . . . A 95 PRO HB3 . 25663 1
1072 . 1 1 95 95 PRO HG2 H 1 2.044 0.002 . . . . . A 95 PRO HG2 . 25663 1
1073 . 1 1 95 95 PRO HG3 H 1 1.528 0.004 . . . . . A 95 PRO HG3 . 25663 1
1074 . 1 1 95 95 PRO HD2 H 1 3.772 0.002 . . . . . A 95 PRO HD2 . 25663 1
1075 . 1 1 95 95 PRO HD3 H 1 3.446 0.007 . . . . . A 95 PRO HD3 . 25663 1
1076 . 1 1 95 95 PRO C C 13 176.345 0.000 . . . . . A 95 PRO C . 25663 1
1077 . 1 1 95 95 PRO CA C 13 63.800 0.056 . . . . . A 95 PRO CA . 25663 1
1078 . 1 1 95 95 PRO CB C 13 32.046 0.032 . . . . . A 95 PRO CB . 25663 1
1079 . 1 1 95 95 PRO CG C 13 26.490 0.036 . . . . . A 95 PRO CG . 25663 1
1080 . 1 1 95 95 PRO CD C 13 51.064 0.047 . . . . . A 95 PRO CD . 25663 1
1081 . 1 1 96 96 HIS H H 1 8.354 0.014 . . . . . A 96 HIS H . 25663 1
1082 . 1 1 96 96 HIS HA H 1 4.623 0.009 . . . . . A 96 HIS HA . 25663 1
1083 . 1 1 96 96 HIS HB2 H 1 3.259 0.010 . . . . . A 96 HIS HB2 . 25663 1
1084 . 1 1 96 96 HIS HB3 H 1 3.030 0.004 . . . . . A 96 HIS HB3 . 25663 1
1085 . 1 1 96 96 HIS HD2 H 1 7.326 0.006 . . . . . A 96 HIS HD2 . 25663 1
1086 . 1 1 96 96 HIS C C 13 173.999 0.000 . . . . . A 96 HIS C . 25663 1
1087 . 1 1 96 96 HIS CA C 13 55.046 0.061 . . . . . A 96 HIS CA . 25663 1
1088 . 1 1 96 96 HIS CB C 13 28.821 0.066 . . . . . A 96 HIS CB . 25663 1
1089 . 1 1 96 96 HIS N N 15 116.009 0.025 . . . . . A 96 HIS N . 25663 1
1090 . 1 1 97 97 ALA H H 1 7.387 0.009 . . . . . A 97 ALA H . 25663 1
1091 . 1 1 97 97 ALA HA H 1 4.269 0.005 . . . . . A 97 ALA HA . 25663 1
1092 . 1 1 97 97 ALA HB1 H 1 1.225 0.010 . . . . . A 97 ALA HB1 . 25663 1
1093 . 1 1 97 97 ALA HB2 H 1 1.225 0.010 . . . . . A 97 ALA HB2 . 25663 1
1094 . 1 1 97 97 ALA HB3 H 1 1.225 0.010 . . . . . A 97 ALA HB3 . 25663 1
1095 . 1 1 97 97 ALA C C 13 176.350 0.000 . . . . . A 97 ALA C . 25663 1
1096 . 1 1 97 97 ALA CA C 13 51.796 0.044 . . . . . A 97 ALA CA . 25663 1
1097 . 1 1 97 97 ALA CB C 13 19.648 0.025 . . . . . A 97 ALA CB . 25663 1
1098 . 1 1 97 97 ALA N N 15 123.775 0.018 . . . . . A 97 ALA N . 25663 1
1099 . 1 1 98 98 LYS H H 1 8.040 0.010 . . . . . A 98 LYS H . 25663 1
1100 . 1 1 98 98 LYS HA H 1 3.976 0.004 . . . . . A 98 LYS HA . 25663 1
1101 . 1 1 98 98 LYS HB2 H 1 1.695 0.012 . . . . . A 98 LYS HB2 . 25663 1
1102 . 1 1 98 98 LYS HB3 H 1 1.626 0.020 . . . . . A 98 LYS HB3 . 25663 1
1103 . 1 1 98 98 LYS HG2 H 1 1.345 0.015 . . . . . A 98 LYS HG2 . 25663 1
1104 . 1 1 98 98 LYS HG3 H 1 1.345 0.015 . . . . . A 98 LYS HG3 . 25663 1
1105 . 1 1 98 98 LYS HD2 H 1 1.655 0.000 . . . . . A 98 LYS HD2 . 25663 1
1106 . 1 1 98 98 LYS HD3 H 1 1.655 0.000 . . . . . A 98 LYS HD3 . 25663 1
1107 . 1 1 98 98 LYS HE2 H 1 2.947 0.019 . . . . . A 98 LYS HE2 . 25663 1
1108 . 1 1 98 98 LYS HE3 H 1 2.947 0.019 . . . . . A 98 LYS HE3 . 25663 1
1109 . 1 1 98 98 LYS CA C 13 58.042 0.117 . . . . . A 98 LYS CA . 25663 1
1110 . 1 1 98 98 LYS CB C 13 33.273 0.062 . . . . . A 98 LYS CB . 25663 1
1111 . 1 1 98 98 LYS CG C 13 24.800 0.000 . . . . . A 98 LYS CG . 25663 1
1112 . 1 1 98 98 LYS CD C 13 29.203 0.000 . . . . . A 98 LYS CD . 25663 1
1113 . 1 1 98 98 LYS CE C 13 42.092 0.003 . . . . . A 98 LYS CE . 25663 1
1114 . 1 1 98 98 LYS N N 15 127.551 0.010 . . . . . A 98 LYS N . 25663 1
stop_
save_