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 16149
_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-1H TOCSY' . . . 16149 1
2 '2D 1H-1H COSY' . . . 16149 1
3 '2D 1H-1H NOESY' . . . 16149 1
4 '2D DQF-COSY' . . . 16149 1
5 '2D 1H-15N HSQC' . . . 16149 1
6 '2D 1H-13C HSQC' . . . 16149 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
3 $SPARKY . . 16149 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 ARG HA H 1 4.121 0.006 . 1 . . . . 1 R HA . 16149 1
2 . 1 1 1 1 ARG HB2 H 1 1.978 0.019 . 2 . . . . 1 R QB . 16149 1
3 . 1 1 1 1 ARG HB3 H 1 1.978 0.019 . 2 . . . . 1 R QB . 16149 1
4 . 1 1 1 1 ARG HD2 H 1 3.267 0.009 . 2 . . . . 1 R QD . 16149 1
5 . 1 1 1 1 ARG HD3 H 1 3.267 0.009 . 2 . . . . 1 R QD . 16149 1
6 . 1 1 1 1 ARG HE H 1 7.273 0.000 . 1 . . . . 1 R HE . 16149 1
7 . 1 1 1 1 ARG HG2 H 1 1.747 0.005 . 2 . . . . 1 R QG . 16149 1
8 . 1 1 1 1 ARG HG3 H 1 1.747 0.005 . 2 . . . . 1 R QG . 16149 1
9 . 1 1 1 1 ARG C C 13 172.199 0.035 . 1 . . . . 1 R C . 16149 1
10 . 1 1 1 1 ARG CA C 13 55.630 0.000 . 1 . . . . 1 R CA . 16149 1
11 . 1 1 1 1 ARG CB C 13 30.914 0.030 . 1 . . . . 1 R CB . 16149 1
12 . 1 1 1 1 ARG CD C 13 43.202 0.000 . 1 . . . . 1 R CD . 16149 1
13 . 1 1 1 1 ARG CG C 13 26.245 0.005 . 1 . . . . 1 R CG . 16149 1
14 . 1 1 2 2 ARG H H 1 8.775 0.002 . 1 . . . . 2 R H . 16149 1
15 . 1 1 2 2 ARG HA H 1 4.494 0.006 . 1 . . . . 2 R HA . 16149 1
16 . 1 1 2 2 ARG HB2 H 1 1.837 0.002 . 2 . . . . 2 R HB2 . 16149 1
17 . 1 1 2 2 ARG HB3 H 1 1.916 0.003 . 2 . . . . 2 R HB3 . 16149 1
18 . 1 1 2 2 ARG HD2 H 1 3.248 0.000 . 2 . . . . 2 R QD . 16149 1
19 . 1 1 2 2 ARG HD3 H 1 3.248 0.000 . 2 . . . . 2 R QD . 16149 1
20 . 1 1 2 2 ARG HE H 1 7.198 0.000 . 1 . . . . 2 R HE . 16149 1
21 . 1 1 2 2 ARG HG2 H 1 1.734 0.008 . 2 . . . . 2 R QG . 16149 1
22 . 1 1 2 2 ARG HG3 H 1 1.734 0.008 . 2 . . . . 2 R QG . 16149 1
23 . 1 1 2 2 ARG C C 13 175.506 0.006 . 1 . . . . 2 R C . 16149 1
24 . 1 1 2 2 ARG CA C 13 56.406 0.000 . 1 . . . . 2 R CA . 16149 1
25 . 1 1 2 2 ARG CD C 13 43.493 0.000 . 1 . . . . 2 R CD . 16149 1
26 . 1 1 2 2 ARG CG C 13 27.161 0.000 . 1 . . . . 2 R CG . 16149 1
27 . 1 1 2 2 ARG N N 15 123.489 0.000 . 1 . . . . 2 R N . 16149 1
28 . 1 1 3 3 SER H H 1 8.406 0.003 . 1 . . . . 3 S H . 16149 1
29 . 1 1 3 3 SER HA H 1 4.600 0.004 . 1 . . . . 3 S HA . 16149 1
30 . 1 1 3 3 SER HB2 H 1 3.881 0.004 . 2 . . . . 3 S HB2 . 16149 1
31 . 1 1 3 3 SER HB3 H 1 3.990 0.006 . 2 . . . . 3 S HB3 . 16149 1
32 . 1 1 3 3 SER C C 13 174.478 0.023 . 1 . . . . 3 S C . 16149 1
33 . 1 1 3 3 SER CA C 13 57.797 0.000 . 1 . . . . 3 S CA . 16149 1
34 . 1 1 3 3 SER CB C 13 64.546 0.024 . 1 . . . . 3 S CB . 16149 1
35 . 1 1 3 3 SER N N 15 117.028 0.000 . 1 . . . . 3 S N . 16149 1
36 . 1 1 4 4 ARG H H 1 8.508 0.003 . 1 . . . . 4 R H . 16149 1
37 . 1 1 4 4 ARG HA H 1 4.400 0.001 . 1 . . . . 4 R HA . 16149 1
38 . 1 1 4 4 ARG HB2 H 1 1.837 0.003 . 2 . . . . 4 R HB2 . 16149 1
39 . 1 1 4 4 ARG HB3 H 1 1.935 0.013 . 2 . . . . 4 R HB3 . 16149 1
40 . 1 1 4 4 ARG HD2 H 1 3.240 0.003 . 2 . . . . 4 R QD . 16149 1
41 . 1 1 4 4 ARG HD3 H 1 3.240 0.003 . 2 . . . . 4 R QD . 16149 1
42 . 1 1 4 4 ARG HE H 1 7.249 0.000 . 1 . . . . 4 R HE . 16149 1
43 . 1 1 4 4 ARG HG2 H 1 1.701 0.017 . 2 . . . . 4 R QG . 16149 1
44 . 1 1 4 4 ARG HG3 H 1 1.701 0.017 . 2 . . . . 4 R QG . 16149 1
45 . 1 1 4 4 ARG CA C 13 56.661 0.000 . 1 . . . . 4 R CA . 16149 1
46 . 1 1 4 4 ARG CB C 13 30.943 0.039 . 1 . . . . 4 R CB . 16149 1
47 . 1 1 4 4 ARG CD C 13 43.266 0.000 . 1 . . . . 4 R CD . 16149 1
48 . 1 1 4 4 ARG CG C 13 27.130 0.040 . 1 . . . . 4 R CG . 16149 1
49 . 1 1 4 4 ARG N N 15 122.829 0.000 . 1 . . . . 4 R N . 16149 1
50 . 1 1 5 5 LYS H H 1 8.256 0.006 . 1 . . . . 5 K H . 16149 1
51 . 1 1 5 5 LYS HA H 1 4.290 0.002 . 1 . . . . 5 K HA . 16149 1
52 . 1 1 5 5 LYS HB2 H 1 1.840 0.004 . 2 . . . . 5 K HB2 . 16149 1
53 . 1 1 5 5 LYS HB3 H 1 1.755 0.015 . 2 . . . . 5 K HB3 . 16149 1
54 . 1 1 5 5 LYS HD2 H 1 1.715 0.000 . 2 . . . . 5 K QD . 16149 1
55 . 1 1 5 5 LYS HD3 H 1 1.715 0.000 . 2 . . . . 5 K QD . 16149 1
56 . 1 1 5 5 LYS HE2 H 1 3.009 0.000 . 2 . . . . 5 K QE . 16149 1
57 . 1 1 5 5 LYS HE3 H 1 3.009 0.000 . 2 . . . . 5 K QE . 16149 1
58 . 1 1 5 5 LYS HG2 H 1 1.438 0.000 . 2 . . . . 5 K HG2 . 16149 1
59 . 1 1 5 5 LYS HG3 H 1 1.489 0.000 . 2 . . . . 5 K HG3 . 16149 1
60 . 1 1 5 5 LYS CA C 13 56.843 0.000 . 1 . . . . 5 K CA . 16149 1
61 . 1 1 5 5 LYS CB C 13 32.969 0.000 . 1 . . . . 5 K CB . 16149 1
62 . 1 1 5 5 LYS CD C 13 29.157 0.000 . 1 . . . . 5 K CD . 16149 1
63 . 1 1 5 5 LYS CE C 13 42.094 0.000 . 1 . . . . 5 K CE . 16149 1
64 . 1 1 5 5 LYS CG C 13 24.754 0.000 . 1 . . . . 5 K CG . 16149 1
65 . 1 1 5 5 LYS N N 15 120.908 0.000 . 1 . . . . 5 K N . 16149 1
66 . 1 1 6 6 ASN H H 1 8.204 0.041 . 1 . . . . 6 N H . 16149 1
67 . 1 1 6 6 ASN HA H 1 4.757 0.003 . 1 . . . . 6 N HA . 16149 1
68 . 1 1 6 6 ASN HB2 H 1 2.855 0.005 . 2 . . . . 6 N QB . 16149 1
69 . 1 1 6 6 ASN HB3 H 1 2.855 0.005 . 2 . . . . 6 N QB . 16149 1
70 . 1 1 6 6 ASN HD21 H 1 7.483 0.002 . 2 . . . . 6 N HD21 . 16149 1
71 . 1 1 6 6 ASN HD22 H 1 6.725 0.004 . 2 . . . . 6 N HD22 . 16149 1
72 . 1 1 6 6 ASN C C 13 174.392 0.000 . 1 . . . . 6 N C . 16149 1
73 . 1 1 6 6 ASN CA C 13 53.146 0.000 . 1 . . . . 6 N CA . 16149 1
74 . 1 1 6 6 ASN CB C 13 38.927 0.000 . 1 . . . . 6 N CB . 16149 1
75 . 1 1 6 6 ASN CG C 13 176.757 0.042 . 1 . . . . 6 N CG . 16149 1
76 . 1 1 6 6 ASN N N 15 118.424 0.000 . 1 . . . . 6 N N . 16149 1
77 . 1 1 6 6 ASN ND2 N 15 110.791 0.006 . 1 . . . . 6 N ND2 . 16149 1
78 . 1 1 7 7 GLY H H 1 8.307 0.002 . 1 . . . . 7 G H . 16149 1
79 . 1 1 7 7 GLY HA2 H 1 4.059 0.007 . 2 . . . . 7 G HA2 . 16149 1
80 . 1 1 7 7 GLY HA3 H 1 4.094 0.011 . 2 . . . . 7 G HA3 . 16149 1
81 . 1 1 7 7 GLY CA C 13 45.902 0.068 . 1 . . . . 7 G CA . 16149 1
82 . 1 1 7 7 GLY N N 15 108.391 0.000 . 1 . . . . 7 G N . 16149 1
83 . 1 1 8 8 ILE H H 1 7.989 0.001 . 1 . . . . 8 I H . 16149 1
84 . 1 1 8 8 ILE HA H 1 4.126 0.020 . 1 . . . . 8 I HA . 16149 1
85 . 1 1 8 8 ILE HB H 1 1.930 0.025 . 1 . . . . 8 I HB . 16149 1
86 . 1 1 8 8 ILE HD11 H 1 0.943 0.008 . 1 . . . . 8 I QD1 . 16149 1
87 . 1 1 8 8 ILE HD12 H 1 0.943 0.008 . 1 . . . . 8 I QD1 . 16149 1
88 . 1 1 8 8 ILE HD13 H 1 0.943 0.008 . 1 . . . . 8 I QD1 . 16149 1
89 . 1 1 8 8 ILE HG12 H 1 1.293 0.002 . 2 . . . . 8 I HG12 . 16149 1
90 . 1 1 8 8 ILE HG13 H 1 1.589 0.008 . 2 . . . . 8 I HG13 . 16149 1
91 . 1 1 8 8 ILE HG21 H 1 0.977 0.003 . 1 . . . . 8 I QG2 . 16149 1
92 . 1 1 8 8 ILE HG22 H 1 0.977 0.003 . 1 . . . . 8 I QG2 . 16149 1
93 . 1 1 8 8 ILE HG23 H 1 0.977 0.003 . 1 . . . . 8 I QG2 . 16149 1
94 . 1 1 8 8 ILE C C 13 176.811 0.000 . 1 . . . . 8 I C . 16149 1
95 . 1 1 8 8 ILE CA C 13 63.018 0.000 . 1 . . . . 8 I CA . 16149 1
96 . 1 1 8 8 ILE CB C 13 38.402 0.000 . 1 . . . . 8 I CB . 16149 1
97 . 1 1 8 8 ILE CD1 C 13 12.402 0.000 . 1 . . . . 8 I CD1 . 16149 1
98 . 1 1 8 8 ILE CG1 C 13 28.027 0.026 . 1 . . . . 8 I CG1 . 16149 1
99 . 1 1 8 8 ILE CG2 C 13 16.937 0.000 . 1 . . . . 8 I CG2 . 16149 1
100 . 1 1 8 8 ILE N N 15 120.369 0.000 . 1 . . . . 8 I N . 16149 1
101 . 1 1 9 9 GLY H H 1 8.243 0.003 . 1 . . . . 9 G H . 16149 1
102 . 1 1 9 9 GLY HA2 H 1 3.844 0.008 . 2 . . . . 9 G QA . 16149 1
103 . 1 1 9 9 GLY HA3 H 1 3.844 0.008 . 2 . . . . 9 G QA . 16149 1
104 . 1 1 9 9 GLY CA C 13 46.491 0.000 . 1 . . . . 9 G CA . 16149 1
105 . 1 1 9 9 GLY N N 15 108.169 0.000 . 1 . . . . 9 G N . 16149 1
106 . 1 1 10 10 TYR H H 1 7.763 0.003 . 1 . . . . 10 Y H . 16149 1
107 . 1 1 10 10 TYR HA H 1 4.408 0.003 . 1 . . . . 10 Y HA . 16149 1
108 . 1 1 10 10 TYR HB2 H 1 3.077 0.006 . 2 . . . . 10 Y HB2 . 16149 1
109 . 1 1 10 10 TYR HB3 H 1 3.155 0.010 . 2 . . . . 10 Y HB3 . 16149 1
110 . 1 1 10 10 TYR HD1 H 1 7.159 0.004 . 3 . . . . 10 Y QD . 16149 1
111 . 1 1 10 10 TYR HD2 H 1 7.159 0.004 . 3 . . . . 10 Y QD . 16149 1
112 . 1 1 10 10 TYR HE1 H 1 6.867 0.010 . 3 . . . . 10 Y QE . 16149 1
113 . 1 1 10 10 TYR HE2 H 1 6.867 0.010 . 3 . . . . 10 Y QE . 16149 1
114 . 1 1 10 10 TYR CA C 13 59.789 0.000 . 1 . . . . 10 Y CA . 16149 1
115 . 1 1 10 10 TYR CB C 13 38.316 0.000 . 1 . . . . 10 Y CB . 16149 1
116 . 1 1 10 10 TYR CD1 C 13 133.017 0.000 . 3 . . . . 10 Y CD1 . 16149 1
117 . 1 1 10 10 TYR CE1 C 13 118.211 0.000 . 3 . . . . 10 Y CE1 . 16149 1
118 . 1 1 10 10 TYR CG C 13 130.508 0.000 . 1 . . . . 10 Y CG . 16149 1
119 . 1 1 10 10 TYR CZ C 13 157.527 0.000 . 1 . . . . 10 Y CZ . 16149 1
120 . 1 1 10 10 TYR N N 15 119.911 0.000 . 1 . . . . 10 Y N . 16149 1
121 . 1 1 11 11 ALA H H 1 7.899 0.004 . 1 . . . . 11 A H . 16149 1
122 . 1 1 11 11 ALA HA H 1 4.229 0.005 . 1 . . . . 11 A HA . 16149 1
123 . 1 1 11 11 ALA HB1 H 1 1.571 0.005 . 1 . . . . 11 A QB . 16149 1
124 . 1 1 11 11 ALA HB2 H 1 1.571 0.005 . 1 . . . . 11 A QB . 16149 1
125 . 1 1 11 11 ALA HB3 H 1 1.571 0.005 . 1 . . . . 11 A QB . 16149 1
126 . 1 1 11 11 ALA C C 13 179.361 0.000 . 1 . . . . 11 A C . 16149 1
127 . 1 1 11 11 ALA CA C 13 54.791 0.011 . 1 . . . . 11 A CA . 16149 1
128 . 1 1 11 11 ALA CB C 13 17.766 0.000 . 1 . . . . 11 A CB . 16149 1
129 . 1 1 11 11 ALA N N 15 122.809 0.000 . 1 . . . . 11 A N . 16149 1
130 . 1 1 12 12 ILE H H 1 8.091 0.002 . 1 . . . . 12 I H . 16149 1
131 . 1 1 12 12 ILE HA H 1 3.927 0.002 . 1 . . . . 12 I HA . 16149 1
132 . 1 1 12 12 ILE HB H 1 1.894 0.003 . 1 . . . . 12 I HB . 16149 1
133 . 1 1 12 12 ILE HD11 H 1 0.903 0.009 . 1 . . . . 12 I QD1 . 16149 1
134 . 1 1 12 12 ILE HD12 H 1 0.903 0.009 . 1 . . . . 12 I QD1 . 16149 1
135 . 1 1 12 12 ILE HD13 H 1 0.903 0.009 . 1 . . . . 12 I QD1 . 16149 1
136 . 1 1 12 12 ILE HG12 H 1 1.233 0.004 . 2 . . . . 12 I HG12 . 16149 1
137 . 1 1 12 12 ILE HG13 H 1 1.687 0.003 . 2 . . . . 12 I HG13 . 16149 1
138 . 1 1 12 12 ILE HG21 H 1 0.913 0.009 . 1 . . . . 12 I QG2 . 16149 1
139 . 1 1 12 12 ILE HG22 H 1 0.913 0.009 . 1 . . . . 12 I QG2 . 16149 1
140 . 1 1 12 12 ILE HG23 H 1 0.913 0.009 . 1 . . . . 12 I QG2 . 16149 1
141 . 1 1 12 12 ILE CA C 13 64.005 0.000 . 1 . . . . 12 I CA . 16149 1
142 . 1 1 12 12 ILE CB C 13 38.109 0.000 . 1 . . . . 12 I CB . 16149 1
143 . 1 1 12 12 ILE CD1 C 13 12.240 0.000 . 1 . . . . 12 I CD1 . 16149 1
144 . 1 1 12 12 ILE CG1 C 13 28.304 0.053 . 1 . . . . 12 I CG1 . 16149 1
145 . 1 1 12 12 ILE CG2 C 13 16.658 0.000 . 1 . . . . 12 I CG2 . 16149 1
146 . 1 1 12 12 ILE N N 15 117.663 0.000 . 1 . . . . 12 I N . 16149 1
147 . 1 1 13 13 GLY H H 1 8.014 0.017 . 1 . . . . 13 G H . 16149 1
148 . 1 1 13 13 GLY HA2 H 1 3.974 0.000 . 2 . . . . 13 G HA2 . 16149 1
149 . 1 1 13 13 GLY HA3 H 1 4.136 0.004 . 2 . . . . 13 G HA3 . 16149 1
150 . 1 1 13 13 GLY N N 15 108.042 0.000 . 1 . . . . 13 G N . 16149 1
151 . 1 1 14 14 TYR H H 1 8.158 0.003 . 1 . . . . 14 Y H . 16149 1
152 . 1 1 14 14 TYR HA H 1 4.310 0.001 . 1 . . . . 14 Y HA . 16149 1
153 . 1 1 14 14 TYR HB2 H 1 3.043 0.007 . 2 . . . . 14 Y HB2 . 16149 1
154 . 1 1 14 14 TYR HB3 H 1 3.171 0.008 . 2 . . . . 14 Y HB3 . 16149 1
155 . 1 1 14 14 TYR HD1 H 1 7.148 0.006 . 3 . . . . 14 Y QD . 16149 1
156 . 1 1 14 14 TYR HD2 H 1 7.148 0.006 . 3 . . . . 14 Y QD . 16149 1
157 . 1 1 14 14 TYR HE1 H 1 6.858 0.004 . 3 . . . . 14 Y QE . 16149 1
158 . 1 1 14 14 TYR HE2 H 1 6.858 0.004 . 3 . . . . 14 Y QE . 16149 1
159 . 1 1 14 14 TYR CA C 13 60.839 0.000 . 1 . . . . 14 Y CA . 16149 1
160 . 1 1 14 14 TYR CB C 13 38.340 0.033 . 1 . . . . 14 Y CB . 16149 1
161 . 1 1 14 14 TYR CD1 C 13 133.063 0.000 . 3 . . . . 14 Y CD1 . 16149 1
162 . 1 1 14 14 TYR CE1 C 13 118.101 0.000 . 3 . . . . 14 Y CE1 . 16149 1
163 . 1 1 14 14 TYR CG C 13 130.497 0.000 . 1 . . . . 14 Y CG . 16149 1
164 . 1 1 14 14 TYR CZ C 13 157.539 0.000 . 1 . . . . 14 Y CZ . 16149 1
165 . 1 1 14 14 TYR N N 15 121.815 0.000 . 1 . . . . 14 Y N . 16149 1
166 . 1 1 15 15 ALA H H 1 8.233 0.001 . 1 . . . . 15 A H . 16149 1
167 . 1 1 15 15 ALA HA H 1 4.162 0.011 . 1 . . . . 15 A HA . 16149 1
168 . 1 1 15 15 ALA HB1 H 1 1.553 0.006 . 1 . . . . 15 A QB . 16149 1
169 . 1 1 15 15 ALA HB2 H 1 1.553 0.006 . 1 . . . . 15 A QB . 16149 1
170 . 1 1 15 15 ALA HB3 H 1 1.553 0.006 . 1 . . . . 15 A QB . 16149 1
171 . 1 1 15 15 ALA C C 13 179.200 0.054 . 1 . . . . 15 A C . 16149 1
172 . 1 1 15 15 ALA CA C 13 55.091 0.054 . 1 . . . . 15 A CA . 16149 1
173 . 1 1 15 15 ALA CB C 13 17.743 0.000 . 1 . . . . 15 A CB . 16149 1
174 . 1 1 15 15 ALA N N 15 123.427 0.000 . 1 . . . . 15 A N . 16149 1
175 . 1 1 16 16 PHE H H 1 8.531 0.001 . 1 . . . . 16 F H . 16149 1
176 . 1 1 16 16 PHE HA H 1 4.363 0.009 . 1 . . . . 16 F HA . 16149 1
177 . 1 1 16 16 PHE HB2 H 1 3.189 0.016 . 2 . . . . 16 F HB2 . 16149 1
178 . 1 1 16 16 PHE HB3 H 1 3.210 0.032 . 2 . . . . 16 F HB3 . 16149 1
179 . 1 1 16 16 PHE HD1 H 1 7.247 0.009 . 3 . . . . 16 F QD . 16149 1
180 . 1 1 16 16 PHE HD2 H 1 7.247 0.009 . 3 . . . . 16 F QD . 16149 1
181 . 1 1 16 16 PHE HE1 H 1 7.286 0.004 . 3 . . . . 16 F QE . 16149 1
182 . 1 1 16 16 PHE HE2 H 1 7.286 0.004 . 3 . . . . 16 F QE . 16149 1
183 . 1 1 16 16 PHE HZ H 1 7.232 0.000 . 1 . . . . 16 F HZ . 16149 1
184 . 1 1 16 16 PHE CA C 13 60.569 0.000 . 1 . . . . 16 F CA . 16149 1
185 . 1 1 16 16 PHE CB C 13 43.263 0.032 . 1 . . . . 16 F CB . 16149 1
186 . 1 1 16 16 PHE CD1 C 13 131.196 0.000 . 3 . . . . 16 F CD1 . 16149 1
187 . 1 1 16 16 PHE CE1 C 13 130.978 0.000 . 3 . . . . 16 F CE1 . 16149 1
188 . 1 1 16 16 PHE CG C 13 139.105 0.011 . 1 . . . . 16 F CG . 16149 1
189 . 1 1 16 16 PHE CZ C 13 129.360 0.000 . 1 . . . . 16 F CZ . 16149 1
190 . 1 1 16 16 PHE N N 15 116.921 0.000 . 1 . . . . 16 F N . 16149 1
191 . 1 1 17 17 GLY H H 1 8.095 0.003 . 1 . . . . 17 G H . 16149 1
192 . 1 1 17 17 GLY HA2 H 1 3.893 0.003 . 2 . . . . 17 G QA . 16149 1
193 . 1 1 17 17 GLY HA3 H 1 3.893 0.003 . 2 . . . . 17 G QA . 16149 1
194 . 1 1 17 17 GLY CA C 13 46.840 0.000 . 1 . . . . 17 G CA . 16149 1
195 . 1 1 17 17 GLY N N 15 105.887 0.000 . 1 . . . . 17 G N . 16149 1
196 . 1 1 18 18 ALA H H 1 7.858 0.010 . 1 . . . . 18 A H . 16149 1
197 . 1 1 18 18 ALA HA H 1 4.088 0.006 . 1 . . . . 18 A HA . 16149 1
198 . 1 1 18 18 ALA HB1 H 1 1.501 0.003 . 1 . . . . 18 A QB . 16149 1
199 . 1 1 18 18 ALA HB2 H 1 1.501 0.003 . 1 . . . . 18 A QB . 16149 1
200 . 1 1 18 18 ALA HB3 H 1 1.501 0.003 . 1 . . . . 18 A QB . 16149 1
201 . 1 1 18 18 ALA C C 13 180.375 0.047 . 1 . . . . 18 A C . 16149 1
202 . 1 1 18 18 ALA CA C 13 55.324 0.000 . 1 . . . . 18 A CA . 16149 1
203 . 1 1 18 18 ALA CB C 13 17.605 0.000 . 1 . . . . 18 A CB . 16149 1
204 . 1 1 18 18 ALA N N 15 123.999 0.000 . 1 . . . . 18 A N . 16149 1
205 . 1 1 19 19 VAL H H 1 7.970 0.018 . 1 . . . . 19 V H . 16149 1
206 . 1 1 19 19 VAL HA H 1 3.669 0.002 . 1 . . . . 19 V HA . 16149 1
207 . 1 1 19 19 VAL HB H 1 2.152 0.006 . 1 . . . . 19 V HB . 16149 1
208 . 1 1 19 19 VAL HG11 H 1 0.936 0.013 . 1 . . . . 19 V QG1 . 16149 1
209 . 1 1 19 19 VAL HG12 H 1 0.936 0.013 . 1 . . . . 19 V QG1 . 16149 1
210 . 1 1 19 19 VAL HG13 H 1 0.936 0.013 . 1 . . . . 19 V QG1 . 16149 1
211 . 1 1 19 19 VAL HG21 H 1 1.072 0.001 . 1 . . . . 19 V QG2 . 16149 1
212 . 1 1 19 19 VAL HG22 H 1 1.072 0.001 . 1 . . . . 19 V QG2 . 16149 1
213 . 1 1 19 19 VAL HG23 H 1 1.072 0.001 . 1 . . . . 19 V QG2 . 16149 1
214 . 1 1 19 19 VAL CA C 13 66.502 0.000 . 1 . . . . 19 V CA . 16149 1
215 . 1 1 19 19 VAL CB C 13 31.765 0.000 . 1 . . . . 19 V CB . 16149 1
216 . 1 1 19 19 VAL CG1 C 13 20.389 0.000 . 2 . . . . 19 V CG1 . 16149 1
217 . 1 1 19 19 VAL CG2 C 13 21.819 0.000 . 2 . . . . 19 V CG2 . 16149 1
218 . 1 1 19 19 VAL N N 15 119.834 0.000 . 1 . . . . 19 V N . 16149 1
219 . 1 1 20 20 GLU H H 1 8.263 0.006 . 1 . . . . 20 E H . 16149 1
220 . 1 1 20 20 GLU HA H 1 3.866 0.007 . 1 . . . . 20 E HA . 16149 1
221 . 1 1 20 20 GLU HB2 H 1 2.032 0.006 . 2 . . . . 20 E HB2 . 16149 1
222 . 1 1 20 20 GLU HB3 H 1 2.124 0.009 . 2 . . . . 20 E HB3 . 16149 1
223 . 1 1 20 20 GLU HG2 H 1 2.280 0.003 . 2 . . . . 20 E HG2 . 16149 1
224 . 1 1 20 20 GLU HG3 H 1 2.406 0.003 . 2 . . . . 20 E HG3 . 16149 1
225 . 1 1 20 20 GLU CA C 13 59.604 0.000 . 1 . . . . 20 E CA . 16149 1
226 . 1 1 20 20 GLU CB C 13 27.822 0.050 . 1 . . . . 20 E CB . 16149 1
227 . 1 1 20 20 GLU CD C 13 178.980 0.024 . 1 . . . . 20 E CD . 16149 1
228 . 1 1 20 20 GLU CG C 13 32.875 0.003 . 1 . . . . 20 E CG . 16149 1
229 . 1 1 20 20 GLU N N 15 118.154 0.000 . 1 . . . . 20 E N . 16149 1
230 . 1 1 21 21 ARG H H 1 8.007 0.016 . 1 . . . . 21 R H . 16149 1
231 . 1 1 21 21 ARG HA H 1 3.974 0.001 . 1 . . . . 21 R HA . 16149 1
232 . 1 1 21 21 ARG HB2 H 1 1.908 0.002 . 2 . . . . 21 R HB2 . 16149 1
233 . 1 1 21 21 ARG HB3 H 1 1.940 0.011 . 2 . . . . 21 R HB3 . 16149 1
234 . 1 1 21 21 ARG HD2 H 1 3.222 0.000 . 2 . . . . 21 R QD . 16149 1
235 . 1 1 21 21 ARG HD3 H 1 3.222 0.000 . 2 . . . . 21 R QD . 16149 1
236 . 1 1 21 21 ARG HG2 H 1 1.609 0.014 . 2 . . . . 21 R QG . 16149 1
237 . 1 1 21 21 ARG HG3 H 1 1.609 0.014 . 2 . . . . 21 R QG . 16149 1
238 . 1 1 21 21 ARG CA C 13 59.705 0.000 . 1 . . . . 21 R CA . 16149 1
239 . 1 1 21 21 ARG CB C 13 30.141 0.089 . 1 . . . . 21 R CB . 16149 1
240 . 1 1 21 21 ARG CG C 13 28.086 0.000 . 1 . . . . 21 R CG . 16149 1
241 . 1 1 22 22 ALA H H 1 7.930 0.003 . 1 . . . . 22 A H . 16149 1
242 . 1 1 22 22 ALA HA H 1 4.201 0.006 . 1 . . . . 22 A HA . 16149 1
243 . 1 1 22 22 ALA HB1 H 1 1.605 0.008 . 1 . . . . 22 A QB . 16149 1
244 . 1 1 22 22 ALA HB2 H 1 1.605 0.008 . 1 . . . . 22 A QB . 16149 1
245 . 1 1 22 22 ALA HB3 H 1 1.605 0.008 . 1 . . . . 22 A QB . 16149 1
246 . 1 1 22 22 ALA C C 13 180.595 0.006 . 1 . . . . 22 A C . 16149 1
247 . 1 1 22 22 ALA CA C 13 55.046 0.046 . 1 . . . . 22 A CA . 16149 1
248 . 1 1 22 22 ALA CB C 13 17.756 0.000 . 1 . . . . 22 A CB . 16149 1
249 . 1 1 22 22 ALA N N 15 122.985 0.000 . 1 . . . . 22 A N . 16149 1
250 . 1 1 23 23 VAL H H 1 8.512 0.002 . 1 . . . . 23 V H . 16149 1
251 . 1 1 23 23 VAL HA H 1 3.778 0.001 . 1 . . . . 23 V HA . 16149 1
252 . 1 1 23 23 VAL HB H 1 2.184 0.001 . 1 . . . . 23 V HB . 16149 1
253 . 1 1 23 23 VAL HG11 H 1 1.075 0.001 . 1 . . . . 23 V QG1 . 16149 1
254 . 1 1 23 23 VAL HG12 H 1 1.075 0.001 . 1 . . . . 23 V QG1 . 16149 1
255 . 1 1 23 23 VAL HG13 H 1 1.075 0.001 . 1 . . . . 23 V QG1 . 16149 1
256 . 1 1 23 23 VAL HG21 H 1 0.970 0.002 . 1 . . . . 23 V QG2 . 16149 1
257 . 1 1 23 23 VAL HG22 H 1 0.970 0.002 . 1 . . . . 23 V QG2 . 16149 1
258 . 1 1 23 23 VAL HG23 H 1 0.970 0.002 . 1 . . . . 23 V QG2 . 16149 1
259 . 1 1 23 23 VAL CA C 13 66.053 0.000 . 1 . . . . 23 V CA . 16149 1
260 . 1 1 23 23 VAL CB C 13 32.037 0.000 . 1 . . . . 23 V CB . 16149 1
261 . 1 1 23 23 VAL CG1 C 13 21.570 0.000 . 2 . . . . 23 V CG1 . 16149 1
262 . 1 1 23 23 VAL CG2 C 13 20.498 0.000 . 2 . . . . 23 V CG2 . 16149 1
263 . 1 1 23 23 VAL N N 15 119.108 0.000 . 1 . . . . 23 V N . 16149 1
264 . 1 1 24 24 LEU H H 1 8.480 0.005 . 1 . . . . 24 L H . 16149 1
265 . 1 1 24 24 LEU HA H 1 4.235 0.005 . 1 . . . . 24 L HA . 16149 1
266 . 1 1 24 24 LEU HB2 H 1 1.574 0.004 . 2 . . . . 24 L HB2 . 16149 1
267 . 1 1 24 24 LEU HB3 H 1 1.902 0.008 . 2 . . . . 24 L HB3 . 16149 1
268 . 1 1 24 24 LEU HD11 H 1 0.917 0.005 . 1 . . . . 24 L QQD . 16149 1
269 . 1 1 24 24 LEU HD12 H 1 0.917 0.005 . 1 . . . . 24 L QQD . 16149 1
270 . 1 1 24 24 LEU HD13 H 1 0.917 0.005 . 1 . . . . 24 L QQD . 16149 1
271 . 1 1 24 24 LEU HD21 H 1 0.917 0.005 . 1 . . . . 24 L QQD . 16149 1
272 . 1 1 24 24 LEU HD22 H 1 0.917 0.005 . 1 . . . . 24 L QQD . 16149 1
273 . 1 1 24 24 LEU HD23 H 1 0.917 0.005 . 1 . . . . 24 L QQD . 16149 1
274 . 1 1 24 24 LEU HG H 1 1.834 0.000 . 1 . . . . 24 L HG . 16149 1
275 . 1 1 24 24 LEU CA C 13 57.204 0.000 . 1 . . . . 24 L CA . 16149 1
276 . 1 1 24 24 LEU CB C 13 41.761 0.007 . 1 . . . . 24 L CB . 16149 1
277 . 1 1 24 24 LEU CD1 C 13 24.471 0.000 . 2 . . . . 24 L CD1 . 16149 1
278 . 1 1 24 24 LEU CG C 13 26.992 0.000 . 1 . . . . 24 L CG . 16149 1
279 . 1 1 24 24 LEU N N 15 120.029 0.000 . 1 . . . . 24 L N . 16149 1
280 . 1 1 25 25 GLY H H 1 8.146 0.006 . 1 . . . . 25 G H . 16149 1
281 . 1 1 25 25 GLY HA2 H 1 3.965 0.012 . 2 . . . . 25 G HA2 . 16149 1
282 . 1 1 25 25 GLY HA3 H 1 4.027 0.006 . 2 . . . . 25 G HA3 . 16149 1
283 . 1 1 25 25 GLY CA C 13 46.078 0.045 . 1 . . . . 25 G CA . 16149 1
284 . 1 1 25 25 GLY N N 15 106.295 0.000 . 1 . . . . 25 G N . 16149 1
285 . 1 1 26 26 GLY H H 1 7.995 0.003 . 1 . . . . 26 G H . 16149 1
286 . 1 1 26 26 GLY HA2 H 1 3.891 0.000 . 2 . . . . 26 G QA . 16149 1
287 . 1 1 26 26 GLY HA3 H 1 3.891 0.000 . 2 . . . . 26 G QA . 16149 1
288 . 1 1 26 26 GLY N N 15 106.665 0.000 . 1 . . . . 26 G N . 16149 1
289 . 1 1 27 27 SER H H 1 8.068 0.013 . 1 . . . . 27 S H . 16149 1
290 . 1 1 27 27 SER HA H 1 4.415 0.003 . 1 . . . . 27 S HA . 16149 1
291 . 1 1 27 27 SER HB2 H 1 3.997 0.006 . 2 . . . . 27 S HB2 . 16149 1
292 . 1 1 27 27 SER HB3 H 1 4.031 0.001 . 2 . . . . 27 S HB3 . 16149 1
293 . 1 1 27 27 SER CB C 13 63.608 0.003 . 1 . . . . 27 S CB . 16149 1
294 . 1 1 27 27 SER N N 15 115.282 0.000 . 1 . . . . 27 S N . 16149 1
295 . 1 1 28 28 ARG H H 1 7.987 0.005 . 1 . . . . 28 R H . 16149 1
296 . 1 1 28 28 ARG HA H 1 4.353 0.006 . 1 . . . . 28 R HA . 16149 1
297 . 1 1 28 28 ARG HB2 H 1 1.811 0.001 . 2 . . . . 28 R HB2 . 16149 1
298 . 1 1 28 28 ARG HB3 H 1 1.925 0.014 . 2 . . . . 28 R HB3 . 16149 1
299 . 1 1 28 28 ARG HD2 H 1 3.239 0.002 . 2 . . . . 28 R QD . 16149 1
300 . 1 1 28 28 ARG HD3 H 1 3.239 0.002 . 2 . . . . 28 R QD . 16149 1
301 . 1 1 28 28 ARG HE H 1 7.231 0.000 . 1 . . . . 28 R HE . 16149 1
302 . 1 1 28 28 ARG HG2 H 1 1.708 0.011 . 2 . . . . 28 R QG . 16149 1
303 . 1 1 28 28 ARG HG3 H 1 1.708 0.011 . 2 . . . . 28 R QG . 16149 1
304 . 1 1 28 28 ARG CA C 13 56.445 0.000 . 1 . . . . 28 R CA . 16149 1
305 . 1 1 28 28 ARG CD C 13 43.309 0.000 . 1 . . . . 28 R CD . 16149 1
306 . 1 1 28 28 ARG CG C 13 27.080 0.000 . 1 . . . . 28 R CG . 16149 1
307 . 1 1 28 28 ARG N N 15 120.986 0.000 . 1 . . . . 28 R N . 16149 1
308 . 1 1 29 29 ASP H H 1 8.095 0.002 . 1 . . . . 29 D H . 16149 1
309 . 1 1 29 29 ASP HA H 1 4.727 0.001 . 1 . . . . 29 D HA . 16149 1
310 . 1 1 29 29 ASP HB2 H 1 2.942 0.012 . 2 . . . . 29 D HB2 . 16149 1
311 . 1 1 29 29 ASP HB3 H 1 2.825 0.003 . 2 . . . . 29 D HB3 . 16149 1
312 . 1 1 29 29 ASP C C 13 174.757 0.070 . 1 . . . . 29 D C . 16149 1
313 . 1 1 29 29 ASP CB C 13 37.688 0.020 . 1 . . . . 29 D CB . 16149 1
314 . 1 1 29 29 ASP CG C 13 176.525 0.048 . 1 . . . . 29 D CG . 16149 1
315 . 1 1 30 30 TYR H H 1 7.885 0.005 . 1 . . . . 30 Y H . 16149 1
316 . 1 1 30 30 TYR HA H 1 4.554 0.003 . 1 . . . . 30 Y HA . 16149 1
317 . 1 1 30 30 TYR HB2 H 1 3.012 0.007 . 2 . . . . 30 Y HB2 . 16149 1
318 . 1 1 30 30 TYR HB3 H 1 3.151 0.010 . 2 . . . . 30 Y HB3 . 16149 1
319 . 1 1 30 30 TYR HD1 H 1 7.154 0.004 . 3 . . . . 30 Y QD . 16149 1
320 . 1 1 30 30 TYR HD2 H 1 7.154 0.004 . 3 . . . . 30 Y QD . 16149 1
321 . 1 1 30 30 TYR HE1 H 1 6.866 0.018 . 3 . . . . 30 Y QE . 16149 1
322 . 1 1 30 30 TYR HE2 H 1 6.866 0.018 . 3 . . . . 30 Y QE . 16149 1
323 . 1 1 30 30 TYR C C 13 175.274 0.000 . 1 . . . . 30 Y C . 16149 1
324 . 1 1 30 30 TYR CA C 13 58.226 0.000 . 1 . . . . 30 Y CA . 16149 1
325 . 1 1 30 30 TYR CB C 13 38.355 0.025 . 1 . . . . 30 Y CB . 16149 1
326 . 1 1 30 30 TYR CD1 C 13 132.944 0.032 . 3 . . . . 30 Y CD1 . 16149 1
327 . 1 1 30 30 TYR CE1 C 13 118.038 0.000 . 3 . . . . 30 Y CE1 . 16149 1
328 . 1 1 30 30 TYR CG C 13 130.503 0.018 . 1 . . . . 30 Y CG . 16149 1
329 . 1 1 30 30 TYR CZ C 13 157.515 0.000 . 1 . . . . 30 Y CZ . 16149 1
330 . 1 1 30 30 TYR N N 15 119.689 0.000 . 1 . . . . 30 Y N . 16149 1
331 . 1 1 31 31 ASN H H 1 8.081 0.004 . 1 . . . . 31 N H . 16149 1
332 . 1 1 31 31 ASN HA H 1 4.739 0.003 . 1 . . . . 31 N HA . 16149 1
333 . 1 1 31 31 ASN HB2 H 1 2.762 0.010 . 2 . . . . 31 N QB . 16149 1
334 . 1 1 31 31 ASN HB3 H 1 2.762 0.010 . 2 . . . . 31 N QB . 16149 1
335 . 1 1 31 31 ASN HD21 H 1 7.453 0.006 . 2 . . . . 31 N HD21 . 16149 1
336 . 1 1 31 31 ASN HD22 H 1 6.742 0.000 . 2 . . . . 31 N HD22 . 16149 1
337 . 1 1 31 31 ASN C C 13 174.469 0.042 . 1 . . . . 31 N C . 16149 1
338 . 1 1 31 31 ASN CA C 13 53.266 0.000 . 1 . . . . 31 N CA . 16149 1
339 . 1 1 31 31 ASN CB C 13 38.838 0.007 . 1 . . . . 31 N CB . 16149 1
340 . 1 1 31 31 ASN CG C 13 177.204 0.000 . 1 . . . . 31 N CG . 16149 1
341 . 1 1 31 31 ASN N N 15 118.821 0.000 . 1 . . . . 31 N N . 16149 1
342 . 1 1 31 31 ASN ND2 N 15 111.193 0.013 . 1 . . . . 31 N ND2 . 16149 1
343 . 1 1 32 32 LYS H H 1 7.920 0.004 . 1 . . . . 32 K H . 16149 1
344 . 1 1 32 32 LYS HA H 1 4.420 0.006 . 1 . . . . 32 K HA . 16149 1
345 . 1 1 32 32 LYS HB2 H 1 1.833 0.008 . 2 . . . . 32 K HB2 . 16149 1
346 . 1 1 32 32 LYS HB3 H 1 1.982 0.005 . 2 . . . . 32 K HB3 . 16149 1
347 . 1 1 32 32 LYS HD2 H 1 1.750 0.009 . 2 . . . . 32 K QD . 16149 1
348 . 1 1 32 32 LYS HD3 H 1 1.750 0.009 . 2 . . . . 32 K QD . 16149 1
349 . 1 1 32 32 LYS HE2 H 1 3.050 0.000 . 2 . . . . 32 K QE . 16149 1
350 . 1 1 32 32 LYS HE3 H 1 3.050 0.000 . 2 . . . . 32 K QE . 16149 1
351 . 1 1 32 32 LYS HG2 H 1 1.506 0.009 . 2 . . . . 32 K QG . 16149 1
352 . 1 1 32 32 LYS HG3 H 1 1.506 0.009 . 2 . . . . 32 K QG . 16149 1
353 . 1 1 32 32 LYS C C 13 174.690 0.000 . 1 . . . . 32 K C . 16149 1
354 . 1 1 32 32 LYS CA C 13 55.216 0.028 . 1 . . . . 32 K CA . 16149 1
355 . 1 1 32 32 LYS CB C 13 32.754 0.001 . 1 . . . . 32 K CB . 16149 1
356 . 1 1 32 32 LYS CD C 13 28.945 0.000 . 1 . . . . 32 K CD . 16149 1
357 . 1 1 32 32 LYS CE C 13 42.258 0.000 . 1 . . . . 32 K CE . 16149 1
358 . 1 1 32 32 LYS CG C 13 24.609 0.000 . 1 . . . . 32 K CG . 16149 1
359 . 1 1 32 32 LYS N N 15 120.474 0.000 . 1 . . . . 32 K N . 16149 1
stop_
save_