Content for NMR-STAR saveframe, "CKR-PNG-shifts"
save_CKR-PNG-shifts
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode CKR-PNG-shifts
_Assigned_chem_shift_list.Entry_ID 17032
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $CKR-PNG_conditions
_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' . . . 17032 1
2 '2D 1H-13C HSQC' . . . 17032 1
3 '3D CBCA(CO)NH' . . . 17032 1
4 '3D C(CO)NH' . . . 17032 1
5 '3D HNCO' . . . 17032 1
6 '3D HNCACB' . . . 17032 1
7 '3D HBHA(CO)NH' . . . 17032 1
8 '3D H(CCO)NH' . . . 17032 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
2 $NMRPipe . . 17032 1
3 $NMRDraw . . 17032 1
4 $PINE . . 17032 1
5 $SPARKY . . 17032 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.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 ASP HA H 1 4.284 0.003 . 1 . . . . . 1 ASP HA . 17032 1
2 . 1 1 1 1 ASP HB2 H 1 2.743 0.000 . 2 . . . . . 1 ASP HB2 . 17032 1
3 . 1 1 1 1 ASP HB3 H 1 2.799 0.000 . 2 . . . . . 1 ASP HB3 . 17032 1
4 . 1 1 1 1 ASP C C 13 172.189 0.000 . 1 . . . . . 1 ASP C . 17032 1
5 . 1 1 1 1 ASP CA C 13 53.249 0.067 . 1 . . . . . 1 ASP CA . 17032 1
6 . 1 1 1 1 ASP CB C 13 40.003 0.063 . 1 . . . . . 1 ASP CB . 17032 1
7 . 1 1 2 2 CYS H H 1 8.785 0.002 . 1 . . . . . 2 CYS H . 17032 1
8 . 1 1 2 2 CYS HA H 1 4.800 0.007 . 1 . . . . . 2 CYS HA . 17032 1
9 . 1 1 2 2 CYS HB2 H 1 2.958 0.003 . 1 . . . . . 2 CYS HB2 . 17032 1
10 . 1 1 2 2 CYS HB3 H 1 3.192 0.004 . 1 . . . . . 2 CYS HB3 . 17032 1
11 . 1 1 2 2 CYS C C 13 173.095 0.000 . 1 . . . . . 2 CYS C . 17032 1
12 . 1 1 2 2 CYS CA C 13 55.468 0.048 . 1 . . . . . 2 CYS CA . 17032 1
13 . 1 1 2 2 CYS CB C 13 43.648 0.056 . 1 . . . . . 2 CYS CB . 17032 1
14 . 1 1 2 2 CYS N N 15 118.797 0.011 . 1 . . . . . 2 CYS N . 17032 1
15 . 1 1 3 3 LYS H H 1 8.717 0.002 . 1 . . . . . 3 LYS H . 17032 1
16 . 1 1 3 3 LYS HA H 1 4.360 0.004 . 1 . . . . . 3 LYS HA . 17032 1
17 . 1 1 3 3 LYS HB2 H 1 1.688 0.000 . 2 . . . . . 3 LYS HB2 . 17032 1
18 . 1 1 3 3 LYS HB3 H 1 1.757 0.000 . 2 . . . . . 3 LYS HB3 . 17032 1
19 . 1 1 3 3 LYS HD2 H 1 1.647 0.006 . 2 . . . . . 3 LYS QD . 17032 1
20 . 1 1 3 3 LYS HD3 H 1 1.647 0.006 . 2 . . . . . 3 LYS QD . 17032 1
21 . 1 1 3 3 LYS HE2 H 1 2.954 0.001 . 2 . . . . . 3 LYS QE . 17032 1
22 . 1 1 3 3 LYS HE3 H 1 2.954 0.001 . 2 . . . . . 3 LYS QE . 17032 1
23 . 1 1 3 3 LYS HG2 H 1 1.365 0.002 . 2 . . . . . 3 LYS QG . 17032 1
24 . 1 1 3 3 LYS HG3 H 1 1.365 0.002 . 2 . . . . . 3 LYS QG . 17032 1
25 . 1 1 3 3 LYS C C 13 175.269 0.000 . 1 . . . . . 3 LYS C . 17032 1
26 . 1 1 3 3 LYS CA C 13 55.963 0.065 . 1 . . . . . 3 LYS CA . 17032 1
27 . 1 1 3 3 LYS CB C 13 33.453 0.059 . 1 . . . . . 3 LYS CB . 17032 1
28 . 1 1 3 3 LYS CD C 13 29.197 0.041 . 1 . . . . . 3 LYS CD . 17032 1
29 . 1 1 3 3 LYS CE C 13 42.173 0.013 . 1 . . . . . 3 LYS CE . 17032 1
30 . 1 1 3 3 LYS CG C 13 24.784 0.064 . 1 . . . . . 3 LYS CG . 17032 1
31 . 1 1 3 3 LYS N N 15 124.429 0.013 . 1 . . . . . 3 LYS N . 17032 1
32 . 1 1 4 4 ARG H H 1 8.336 0.002 . 1 . . . . . 4 ARG H . 17032 1
33 . 1 1 4 4 ARG HA H 1 4.522 0.005 . 1 . . . . . 4 ARG HA . 17032 1
34 . 1 1 4 4 ARG HB2 H 1 1.550 0.002 . 2 . . . . . 4 ARG HB2 . 17032 1
35 . 1 1 4 4 ARG HB3 H 1 1.789 0.002 . 2 . . . . . 4 ARG HB3 . 17032 1
36 . 1 1 4 4 ARG HD2 H 1 3.040 0.000 . 2 . . . . . 4 ARG HD2 . 17032 1
37 . 1 1 4 4 ARG HD3 H 1 3.083 0.001 . 2 . . . . . 4 ARG HD3 . 17032 1
38 . 1 1 4 4 ARG HG2 H 1 1.457 0.000 . 2 . . . . . 4 ARG HG2 . 17032 1
39 . 1 1 4 4 ARG HG3 H 1 1.557 0.004 . 2 . . . . . 4 ARG HG3 . 17032 1
40 . 1 1 4 4 ARG C C 13 176.063 0.000 . 1 . . . . . 4 ARG C . 17032 1
41 . 1 1 4 4 ARG CA C 13 55.331 0.045 . 1 . . . . . 4 ARG CA . 17032 1
42 . 1 1 4 4 ARG CB C 13 31.541 0.039 . 1 . . . . . 4 ARG CB . 17032 1
43 . 1 1 4 4 ARG CD C 13 43.276 0.005 . 1 . . . . . 4 ARG CD . 17032 1
44 . 1 1 4 4 ARG CG C 13 27.346 0.022 . 1 . . . . . 4 ARG CG . 17032 1
45 . 1 1 4 4 ARG N N 15 124.257 0.007 . 1 . . . . . 4 ARG N . 17032 1
46 . 1 1 5 5 LYS H H 1 8.549 0.002 . 1 . . . . . 5 LYS H . 17032 1
47 . 1 1 5 5 LYS HA H 1 4.185 0.004 . 1 . . . . . 5 LYS HA . 17032 1
48 . 1 1 5 5 LYS HB2 H 1 1.512 0.005 . 2 . . . . . 5 LYS QB . 17032 1
49 . 1 1 5 5 LYS HB3 H 1 1.512 0.005 . 2 . . . . . 5 LYS QB . 17032 1
50 . 1 1 5 5 LYS HD2 H 1 1.478 0.006 . 2 . . . . . 5 LYS QD . 17032 1
51 . 1 1 5 5 LYS HD3 H 1 1.478 0.006 . 2 . . . . . 5 LYS QD . 17032 1
52 . 1 1 5 5 LYS HE2 H 1 2.708 0.001 . 2 . . . . . 5 LYS HE2 . 17032 1
53 . 1 1 5 5 LYS HE3 H 1 2.750 0.001 . 2 . . . . . 5 LYS HE3 . 17032 1
54 . 1 1 5 5 LYS HG2 H 1 0.935 0.000 . 2 . . . . . 5 LYS HG2 . 17032 1
55 . 1 1 5 5 LYS HG3 H 1 1.115 0.003 . 2 . . . . . 5 LYS HG3 . 17032 1
56 . 1 1 5 5 LYS C C 13 174.340 0.000 . 1 . . . . . 5 LYS C . 17032 1
57 . 1 1 5 5 LYS CA C 13 56.126 0.040 . 1 . . . . . 5 LYS CA . 17032 1
58 . 1 1 5 5 LYS CB C 13 33.925 0.042 . 1 . . . . . 5 LYS CB . 17032 1
59 . 1 1 5 5 LYS CD C 13 29.299 0.048 . 1 . . . . . 5 LYS CD . 17032 1
60 . 1 1 5 5 LYS CE C 13 42.120 0.028 . 1 . . . . . 5 LYS CE . 17032 1
61 . 1 1 5 5 LYS CG C 13 24.924 0.001 . 1 . . . . . 5 LYS CG . 17032 1
62 . 1 1 5 5 LYS N N 15 124.791 0.011 . 1 . . . . . 5 LYS N . 17032 1
63 . 1 1 6 6 VAL H H 1 8.172 0.002 . 1 . . . . . 6 VAL H . 17032 1
64 . 1 1 6 6 VAL HA H 1 4.403 0.004 . 1 . . . . . 6 VAL HA . 17032 1
65 . 1 1 6 6 VAL HB H 1 1.853 0.001 . 1 . . . . . 6 VAL HB . 17032 1
66 . 1 1 6 6 VAL HG11 H 1 0.855 0.004 . 2 . . . . . 6 VAL HG1 . 17032 1
67 . 1 1 6 6 VAL HG12 H 1 0.855 0.004 . 2 . . . . . 6 VAL HG1 . 17032 1
68 . 1 1 6 6 VAL HG13 H 1 0.855 0.004 . 2 . . . . . 6 VAL HG1 . 17032 1
69 . 1 1 6 6 VAL HG21 H 1 0.895 0.002 . 2 . . . . . 6 VAL HG2 . 17032 1
70 . 1 1 6 6 VAL HG22 H 1 0.895 0.002 . 2 . . . . . 6 VAL HG2 . 17032 1
71 . 1 1 6 6 VAL HG23 H 1 0.895 0.002 . 2 . . . . . 6 VAL HG2 . 17032 1
72 . 1 1 6 6 VAL C C 13 176.580 0.000 . 1 . . . . . 6 VAL C . 17032 1
73 . 1 1 6 6 VAL CA C 13 61.335 0.058 . 1 . . . . . 6 VAL CA . 17032 1
74 . 1 1 6 6 VAL CB C 13 32.791 0.053 . 1 . . . . . 6 VAL CB . 17032 1
75 . 1 1 6 6 VAL CG1 C 13 21.084 0.011 . 2 . . . . . 6 VAL CG1 . 17032 1
76 . 1 1 6 6 VAL CG2 C 13 20.938 0.004 . 2 . . . . . 6 VAL CG2 . 17032 1
77 . 1 1 6 6 VAL N N 15 123.935 0.013 . 1 . . . . . 6 VAL N . 17032 1
78 . 1 1 7 7 TYR H H 1 8.923 0.002 . 1 . . . . . 7 TYR H . 17032 1
79 . 1 1 7 7 TYR HA H 1 4.665 0.004 . 1 . . . . . 7 TYR HA . 17032 1
80 . 1 1 7 7 TYR HB2 H 1 2.915 0.002 . 2 . . . . . 7 TYR HB2 . 17032 1
81 . 1 1 7 7 TYR HB3 H 1 3.171 0.000 . 2 . . . . . 7 TYR HB3 . 17032 1
82 . 1 1 7 7 TYR CA C 13 57.651 0.036 . 1 . . . . . 7 TYR CA . 17032 1
83 . 1 1 7 7 TYR CB C 13 37.212 0.065 . 1 . . . . . 7 TYR CB . 17032 1
84 . 1 1 7 7 TYR N N 15 127.380 0.018 . 1 . . . . . 7 TYR N . 17032 1
85 . 1 1 8 8 PRO HA H 1 4.368 0.002 . 1 . . . . . 8 PRO HA . 17032 1
86 . 1 1 8 8 PRO HB2 H 1 1.962 0.002 . 2 . . . . . 8 PRO HB2 . 17032 1
87 . 1 1 8 8 PRO HB3 H 1 2.414 0.002 . 2 . . . . . 8 PRO HB3 . 17032 1
88 . 1 1 8 8 PRO HD2 H 1 3.980 0.002 . 2 . . . . . 8 PRO QD . 17032 1
89 . 1 1 8 8 PRO HD3 H 1 3.980 0.002 . 2 . . . . . 8 PRO QD . 17032 1
90 . 1 1 8 8 PRO HG2 H 1 2.080 0.000 . 2 . . . . . 8 PRO HG2 . 17032 1
91 . 1 1 8 8 PRO HG3 H 1 2.169 0.011 . 2 . . . . . 8 PRO HG3 . 17032 1
92 . 1 1 8 8 PRO C C 13 176.789 0.000 . 1 . . . . . 8 PRO C . 17032 1
93 . 1 1 8 8 PRO CA C 13 65.435 0.071 . 1 . . . . . 8 PRO CA . 17032 1
94 . 1 1 8 8 PRO CB C 13 31.863 0.041 . 1 . . . . . 8 PRO CB . 17032 1
95 . 1 1 8 8 PRO CD C 13 50.950 0.068 . 1 . . . . . 8 PRO CD . 17032 1
96 . 1 1 8 8 PRO CG C 13 27.834 0.032 . 1 . . . . . 8 PRO CG . 17032 1
97 . 1 1 9 9 ASN H H 1 7.860 0.002 . 1 . . . . . 9 ASN H . 17032 1
98 . 1 1 9 9 ASN HA H 1 4.624 0.006 . 1 . . . . . 9 ASN HA . 17032 1
99 . 1 1 9 9 ASN HB2 H 1 2.844 0.001 . 2 . . . . . 9 ASN HB2 . 17032 1
100 . 1 1 9 9 ASN HB3 H 1 3.222 0.002 . 2 . . . . . 9 ASN HB3 . 17032 1
101 . 1 1 9 9 ASN HD21 H 1 6.885 0.000 . 2 . . . . . 9 ASN HD21 . 17032 1
102 . 1 1 9 9 ASN HD22 H 1 7.609 0.000 . 2 . . . . . 9 ASN HD22 . 17032 1
103 . 1 1 9 9 ASN C C 13 176.403 0.000 . 1 . . . . . 9 ASN C . 17032 1
104 . 1 1 9 9 ASN CA C 13 52.717 0.029 . 1 . . . . . 9 ASN CA . 17032 1
105 . 1 1 9 9 ASN CB C 13 37.289 0.062 . 1 . . . . . 9 ASN CB . 17032 1
106 . 1 1 9 9 ASN N N 15 112.854 0.015 . 1 . . . . . 9 ASN N . 17032 1
107 . 1 1 9 9 ASN ND2 N 15 111.242 0.000 . 1 . . . . . 9 ASN ND2 . 17032 1
108 . 1 1 10 10 GLY H H 1 8.566 0.011 . 1 . . . . . 10 GLY H . 17032 1
109 . 1 1 10 10 GLY HA2 H 1 3.604 0.005 . 2 . . . . . 10 GLY HA2 . 17032 1
110 . 1 1 10 10 GLY HA3 H 1 4.302 0.004 . 2 . . . . . 10 GLY HA3 . 17032 1
111 . 1 1 10 10 GLY C C 13 174.439 0.000 . 1 . . . . . 10 GLY C . 17032 1
112 . 1 1 10 10 GLY CA C 13 45.175 0.042 . 1 . . . . . 10 GLY CA . 17032 1
113 . 1 1 10 10 GLY N N 15 109.321 0.010 . 1 . . . . . 10 GLY N . 17032 1
114 . 1 1 11 11 SER H H 1 7.893 0.002 . 1 . . . . . 11 SER H . 17032 1
115 . 1 1 11 11 SER HA H 1 4.424 0.004 . 1 . . . . . 11 SER HA . 17032 1
116 . 1 1 11 11 SER HB2 H 1 3.914 0.007 . 2 . . . . . 11 SER HB2 . 17032 1
117 . 1 1 11 11 SER HB3 H 1 3.960 0.008 . 2 . . . . . 11 SER HB3 . 17032 1
118 . 1 1 11 11 SER C C 13 172.440 0.000 . 1 . . . . . 11 SER C . 17032 1
119 . 1 1 11 11 SER CA C 13 58.911 0.067 . 1 . . . . . 11 SER CA . 17032 1
120 . 1 1 11 11 SER CB C 13 64.198 0.062 . 1 . . . . . 11 SER CB . 17032 1
121 . 1 1 11 11 SER N N 15 116.540 0.008 . 1 . . . . . 11 SER N . 17032 1
122 . 1 1 12 12 ILE H H 1 8.344 0.002 . 1 . . . . . 12 ILE H . 17032 1
123 . 1 1 12 12 ILE HA H 1 4.759 0.005 . 1 . . . . . 12 ILE HA . 17032 1
124 . 1 1 12 12 ILE HB H 1 1.705 0.001 . 1 . . . . . 12 ILE HB . 17032 1
125 . 1 1 12 12 ILE HD11 H 1 0.841 0.007 . 1 . . . . . 12 ILE HD1 . 17032 1
126 . 1 1 12 12 ILE HD12 H 1 0.841 0.007 . 1 . . . . . 12 ILE HD1 . 17032 1
127 . 1 1 12 12 ILE HD13 H 1 0.841 0.007 . 1 . . . . . 12 ILE HD1 . 17032 1
128 . 1 1 12 12 ILE HG12 H 1 1.100 0.002 . 2 . . . . . 12 ILE HG12 . 17032 1
129 . 1 1 12 12 ILE HG13 H 1 1.566 0.005 . 2 . . . . . 12 ILE HG13 . 17032 1
130 . 1 1 12 12 ILE HG21 H 1 0.889 0.003 . 1 . . . . . 12 ILE HG2 . 17032 1
131 . 1 1 12 12 ILE HG22 H 1 0.889 0.003 . 1 . . . . . 12 ILE HG2 . 17032 1
132 . 1 1 12 12 ILE HG23 H 1 0.889 0.003 . 1 . . . . . 12 ILE HG2 . 17032 1
133 . 1 1 12 12 ILE C C 13 176.771 0.000 . 1 . . . . . 12 ILE C . 17032 1
134 . 1 1 12 12 ILE CA C 13 60.450 0.053 . 1 . . . . . 12 ILE CA . 17032 1
135 . 1 1 12 12 ILE CB C 13 40.270 0.045 . 1 . . . . . 12 ILE CB . 17032 1
136 . 1 1 12 12 ILE CD1 C 13 13.421 0.071 . 1 . . . . . 12 ILE CD1 . 17032 1
137 . 1 1 12 12 ILE CG1 C 13 27.553 0.054 . 1 . . . . . 12 ILE CG1 . 17032 1
138 . 1 1 12 12 ILE CG2 C 13 17.943 0.077 . 1 . . . . . 12 ILE CG2 . 17032 1
139 . 1 1 12 12 ILE N N 15 120.129 0.017 . 1 . . . . . 12 ILE N . 17032 1
140 . 1 1 13 13 SER H H 1 8.642 0.001 . 1 . . . . . 13 SER H . 17032 1
141 . 1 1 13 13 SER HA H 1 4.466 0.006 . 1 . . . . . 13 SER HA . 17032 1
142 . 1 1 13 13 SER HB2 H 1 3.664 0.001 . 2 . . . . . 13 SER HB2 . 17032 1
143 . 1 1 13 13 SER HB3 H 1 3.709 0.010 . 2 . . . . . 13 SER HB3 . 17032 1
144 . 1 1 13 13 SER C C 13 173.739 0.000 . 1 . . . . . 13 SER C . 17032 1
145 . 1 1 13 13 SER CA C 13 58.146 0.054 . 1 . . . . . 13 SER CA . 17032 1
146 . 1 1 13 13 SER CB C 13 64.801 0.093 . 1 . . . . . 13 SER CB . 17032 1
147 . 1 1 13 13 SER N N 15 120.814 0.019 . 1 . . . . . 13 SER N . 17032 1
148 . 1 1 14 14 ASP H H 1 8.451 0.002 . 1 . . . . . 14 ASP H . 17032 1
149 . 1 1 14 14 ASP HA H 1 4.676 0.002 . 1 . . . . . 14 ASP HA . 17032 1
150 . 1 1 14 14 ASP HB2 H 1 2.439 0.006 . 2 . . . . . 14 ASP HB2 . 17032 1
151 . 1 1 14 14 ASP HB3 H 1 2.545 0.005 . 2 . . . . . 14 ASP HB3 . 17032 1
152 . 1 1 14 14 ASP C C 13 175.561 0.000 . 1 . . . . . 14 ASP C . 17032 1
153 . 1 1 14 14 ASP CA C 13 54.662 0.044 . 1 . . . . . 14 ASP CA . 17032 1
154 . 1 1 14 14 ASP CB C 13 41.149 0.064 . 1 . . . . . 14 ASP CB . 17032 1
155 . 1 1 14 14 ASP N N 15 121.502 0.016 . 1 . . . . . 14 ASP N . 17032 1
156 . 1 1 15 15 TYR H H 1 8.085 0.002 . 1 . . . . . 15 TYR H . 17032 1
157 . 1 1 15 15 TYR HA H 1 4.738 0.003 . 1 . . . . . 15 TYR HA . 17032 1
158 . 1 1 15 15 TYR HB2 H 1 2.908 0.000 . 2 . . . . . 15 TYR HB2 . 17032 1
159 . 1 1 15 15 TYR HB3 H 1 3.028 0.003 . 2 . . . . . 15 TYR HB3 . 17032 1
160 . 1 1 15 15 TYR C C 13 174.814 0.000 . 1 . . . . . 15 TYR C . 17032 1
161 . 1 1 15 15 TYR CA C 13 56.559 0.054 . 1 . . . . . 15 TYR CA . 17032 1
162 . 1 1 15 15 TYR CB C 13 39.965 0.069 . 1 . . . . . 15 TYR CB . 17032 1
163 . 1 1 15 15 TYR N N 15 119.015 0.014 . 1 . . . . . 15 TYR N . 17032 1
164 . 1 1 16 16 CYS H H 1 8.620 0.007 . 1 . . . . . 16 CYS H . 17032 1
165 . 1 1 16 16 CYS HA H 1 4.683 0.003 . 1 . . . . . 16 CYS HA . 17032 1
166 . 1 1 16 16 CYS HB2 H 1 2.750 0.013 . 1 . . . . . 16 CYS HB2 . 17032 1
167 . 1 1 16 16 CYS HB3 H 1 2.953 0.002 . 1 . . . . . 16 CYS HB3 . 17032 1
168 . 1 1 16 16 CYS C C 13 174.006 0.000 . 1 . . . . . 16 CYS C . 17032 1
169 . 1 1 16 16 CYS CA C 13 54.790 0.039 . 1 . . . . . 16 CYS CA . 17032 1
170 . 1 1 16 16 CYS CB C 13 42.317 0.055 . 1 . . . . . 16 CYS CB . 17032 1
171 . 1 1 16 16 CYS N N 15 121.469 0.026 . 1 . . . . . 16 CYS N . 17032 1
172 . 1 1 17 17 GLU H H 1 8.559 0.001 . 1 . . . . . 17 GLU H . 17032 1
173 . 1 1 17 17 GLU HA H 1 4.246 0.006 . 1 . . . . . 17 GLU HA . 17032 1
174 . 1 1 17 17 GLU HB2 H 1 1.793 0.001 . 2 . . . . . 17 GLU HB2 . 17032 1
175 . 1 1 17 17 GLU HB3 H 1 1.942 0.001 . 2 . . . . . 17 GLU HB3 . 17032 1
176 . 1 1 17 17 GLU HG2 H 1 2.178 0.003 . 2 . . . . . 17 GLU QG . 17032 1
177 . 1 1 17 17 GLU HG3 H 1 2.178 0.003 . 2 . . . . . 17 GLU QG . 17032 1
178 . 1 1 17 17 GLU C C 13 174.889 0.000 . 1 . . . . . 17 GLU C . 17032 1
179 . 1 1 17 17 GLU CA C 13 56.462 0.063 . 1 . . . . . 17 GLU CA . 17032 1
180 . 1 1 17 17 GLU CB C 13 31.095 0.065 . 1 . . . . . 17 GLU CB . 17032 1
181 . 1 1 17 17 GLU CG C 13 36.022 0.037 . 1 . . . . . 17 GLU CG . 17032 1
182 . 1 1 17 17 GLU N N 15 123.097 0.021 . 1 . . . . . 17 GLU N . 17032 1
183 . 1 1 18 18 TYR H H 1 7.921 0.002 . 1 . . . . . 18 TYR H . 17032 1
184 . 1 1 18 18 TYR HA H 1 4.377 0.000 . 1 . . . . . 18 TYR HA . 17032 1
185 . 1 1 18 18 TYR HB2 H 1 2.812 0.000 . 2 . . . . . 18 TYR HB2 . 17032 1
186 . 1 1 18 18 TYR HB3 H 1 3.097 0.000 . 2 . . . . . 18 TYR HB3 . 17032 1
187 . 1 1 18 18 TYR CA C 13 59.477 0.060 . 1 . . . . . 18 TYR CA . 17032 1
188 . 1 1 18 18 TYR CB C 13 39.681 0.060 . 1 . . . . . 18 TYR CB . 17032 1
189 . 1 1 18 18 TYR N N 15 126.304 0.021 . 1 . . . . . 18 TYR N . 17032 1
stop_
save_