Content for NMR-STAR saveframe, "CKR-brazzein-shifts"
save_CKR-brazzein-shifts
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode CKR-brazzein-shifts
_Assigned_chem_shift_list.Entry_ID 16978
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $CKR-brazzein_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' . . . 16978 1
2 '2D 1H-13C HSQC' . . . 16978 1
3 '3D CBCA(CO)NH' . . . 16978 1
4 '3D C(CO)NH' . . . 16978 1
5 '3D HNCO' . . . 16978 1
6 '3D HNCACB' . . . 16978 1
7 '3D HBHA(CO)NH' . . . 16978 1
8 '3D H(CCO)NH' . . . 16978 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 . . 16978 1
3 $NMRDraw . . 16978 1
4 $PINE . . 16978 1
5 $SPARKY . . 16978 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 ASP HA H 1 4.292 0.005 . 1 . . . . 2 ASP HA . 16978 1
2 . 1 1 1 1 ASP HB2 H 1 2.778 0.000 . 2 . . . . 2 ASP HB2 . 16978 1
3 . 1 1 1 1 ASP HB3 H 1 2.839 0.000 . 2 . . . . 2 ASP HB3 . 16978 1
4 . 1 1 1 1 ASP CA C 13 53.461 0.029 . 1 . . . . 2 ASP CA . 16978 1
5 . 1 1 1 1 ASP CB C 13 39.757 0.021 . 1 . . . . 2 ASP CB . 16978 1
6 . 1 1 2 2 CYS H H 1 8.773 0.003 . 2 . . . . 3 CYS H . 16978 1
7 . 1 1 2 2 CYS HA H 1 5.338 0.004 . 2 . . . . 3 CYS HA . 16978 1
8 . 1 1 2 2 CYS HB2 H 1 2.933 0.003 . 2 . . . . 3 CYS HB2 . 16978 1
9 . 1 1 2 2 CYS HB3 H 1 3.049 0.006 . 2 . . . . 3 CYS HB3 . 16978 1
10 . 1 1 2 2 CYS C C 13 173.358 0.000 . 2 . . . . 3 CYS C . 16978 1
11 . 1 1 2 2 CYS CA C 13 56.613 0.022 . 2 . . . . 3 CYS CA . 16978 1
12 . 1 1 2 2 CYS CB C 13 46.487 0.015 . 2 . . . . 3 CYS CB . 16978 1
13 . 1 1 2 2 CYS N N 15 118.491 0.013 . 2 . . . . 3 CYS N . 16978 1
14 . 1 1 3 3 LYS H H 1 8.960 0.003 . 1 . . . . 4 LYS H . 16978 1
15 . 1 1 3 3 LYS HA H 1 4.603 0.007 . 1 . . . . 4 LYS HA . 16978 1
16 . 1 1 3 3 LYS HB2 H 1 1.767 0.018 . 2 . . . . 4 LYS HB2 . 16978 1
17 . 1 1 3 3 LYS HB3 H 1 1.815 0.018 . 2 . . . . 4 LYS HB3 . 16978 1
18 . 1 1 3 3 LYS HG2 H 1 1.395 0.002 . 2 . . . . 4 LYS QG . 16978 1
19 . 1 1 3 3 LYS HG3 H 1 1.395 0.002 . 2 . . . . 4 LYS QG . 16978 1
20 . 1 1 3 3 LYS C C 13 174.907 0.000 . 1 . . . . 4 LYS C . 16978 1
21 . 1 1 3 3 LYS CA C 13 55.227 0.056 . 1 . . . . 4 LYS CA . 16978 1
22 . 1 1 3 3 LYS CB C 13 35.353 0.006 . 1 . . . . 4 LYS CB . 16978 1
23 . 1 1 3 3 LYS CD C 13 29.090 0.000 . 1 . . . . 4 LYS CD . 16978 1
24 . 1 1 3 3 LYS CG C 13 24.723 0.018 . 1 . . . . 4 LYS CG . 16978 1
25 . 1 1 3 3 LYS N N 15 122.952 0.007 . 1 . . . . 4 LYS N . 16978 1
26 . 1 1 4 4 ARG H H 1 8.460 0.003 . 1 . . . . 5 ARG H . 16978 1
27 . 1 1 4 4 ARG HA H 1 5.395 0.005 . 1 . . . . 5 ARG HA . 16978 1
28 . 1 1 4 4 ARG HB2 H 1 1.609 0.003 . 2 . . . . 5 ARG QB . 16978 1
29 . 1 1 4 4 ARG HB3 H 1 1.609 0.003 . 2 . . . . 5 ARG QB . 16978 1
30 . 1 1 4 4 ARG HD2 H 1 3.064 0.000 . 2 . . . . 5 ARG QD . 16978 1
31 . 1 1 4 4 ARG HD3 H 1 3.064 0.000 . 2 . . . . 5 ARG QD . 16978 1
32 . 1 1 4 4 ARG HG2 H 1 1.616 0.000 . 2 . . . . 5 ARG QG . 16978 1
33 . 1 1 4 4 ARG HG3 H 1 1.616 0.000 . 2 . . . . 5 ARG QG . 16978 1
34 . 1 1 4 4 ARG C C 13 176.839 0.000 . 1 . . . . 5 ARG C . 16978 1
35 . 1 1 4 4 ARG CA C 13 55.315 0.034 . 1 . . . . 5 ARG CA . 16978 1
36 . 1 1 4 4 ARG CB C 13 31.985 0.037 . 1 . . . . 5 ARG CB . 16978 1
37 . 1 1 4 4 ARG CD C 13 43.739 0.024 . 1 . . . . 5 ARG CD . 16978 1
38 . 1 1 4 4 ARG CG C 13 27.482 0.007 . 1 . . . . 5 ARG CG . 16978 1
39 . 1 1 4 4 ARG N N 15 122.257 0.022 . 1 . . . . 5 ARG N . 16978 1
40 . 1 1 5 5 LYS H H 1 9.096 0.005 . 1 . . . . 6 LYS H . 16978 1
41 . 1 1 5 5 LYS HA H 1 4.780 0.003 . 1 . . . . 6 LYS HA . 16978 1
42 . 1 1 5 5 LYS HB2 H 1 1.744 0.007 . 2 . . . . 6 LYS HB2 . 16978 1
43 . 1 1 5 5 LYS HB3 H 1 1.886 0.007 . 2 . . . . 6 LYS HB3 . 16978 1
44 . 1 1 5 5 LYS HG2 H 1 1.327 0.000 . 2 . . . . 6 LYS HG2 . 16978 1
45 . 1 1 5 5 LYS HG3 H 1 1.438 0.000 . 2 . . . . 6 LYS HG3 . 16978 1
46 . 1 1 5 5 LYS C C 13 175.964 0.000 . 1 . . . . 6 LYS C . 16978 1
47 . 1 1 5 5 LYS CA C 13 55.329 0.036 . 1 . . . . 6 LYS CA . 16978 1
48 . 1 1 5 5 LYS CB C 13 36.568 0.006 . 1 . . . . 6 LYS CB . 16978 1
49 . 1 1 5 5 LYS CD C 13 29.261 0.000 . 1 . . . . 6 LYS CD . 16978 1
50 . 1 1 5 5 LYS CG C 13 24.721 0.000 . 1 . . . . 6 LYS CG . 16978 1
51 . 1 1 5 5 LYS N N 15 121.789 0.012 . 1 . . . . 6 LYS N . 16978 1
52 . 1 1 6 6 VAL H H 1 8.801 0.003 . 1 . . . . 7 VAL H . 16978 1
53 . 1 1 6 6 VAL HA H 1 3.980 0.004 . 1 . . . . 7 VAL HA . 16978 1
54 . 1 1 6 6 VAL HB H 1 2.020 0.002 . 1 . . . . 7 VAL HB . 16978 1
55 . 1 1 6 6 VAL HG11 H 1 0.897 0.006 . 2 . . . . 7 VAL HG1 . 16978 1
56 . 1 1 6 6 VAL HG12 H 1 0.897 0.006 . 2 . . . . 7 VAL HG1 . 16978 1
57 . 1 1 6 6 VAL HG13 H 1 0.897 0.006 . 2 . . . . 7 VAL HG1 . 16978 1
58 . 1 1 6 6 VAL HG21 H 1 1.020 0.002 . 2 . . . . 7 VAL HG2 . 16978 1
59 . 1 1 6 6 VAL HG22 H 1 1.020 0.002 . 2 . . . . 7 VAL HG2 . 16978 1
60 . 1 1 6 6 VAL HG23 H 1 1.020 0.002 . 2 . . . . 7 VAL HG2 . 16978 1
61 . 1 1 6 6 VAL C C 13 175.167 0.000 . 1 . . . . 7 VAL C . 16978 1
62 . 1 1 6 6 VAL CA C 13 63.805 0.029 . 1 . . . . 7 VAL CA . 16978 1
63 . 1 1 6 6 VAL CB C 13 33.211 0.025 . 1 . . . . 7 VAL CB . 16978 1
64 . 1 1 6 6 VAL CG1 C 13 21.075 0.043 . 2 . . . . 7 VAL CG1 . 16978 1
65 . 1 1 6 6 VAL CG2 C 13 22.751 0.003 . 2 . . . . 7 VAL CG2 . 16978 1
66 . 1 1 6 6 VAL N N 15 127.881 0.017 . 1 . . . . 7 VAL N . 16978 1
67 . 1 1 7 7 TYR H H 1 9.287 0.004 . 1 . . . . 8 TYR H . 16978 1
68 . 1 1 7 7 TYR HA H 1 4.399 0.001 . 1 . . . . 8 TYR HA . 16978 1
69 . 1 1 7 7 TYR HB2 H 1 2.713 0.002 . 2 . . . . 8 TYR HB2 . 16978 1
70 . 1 1 7 7 TYR HB3 H 1 3.068 0.008 . 2 . . . . 8 TYR HB3 . 16978 1
71 . 1 1 7 7 TYR C C 13 175.048 0.000 . 1 . . . . 8 TYR C . 16978 1
72 . 1 1 7 7 TYR CA C 13 55.656 0.043 . 1 . . . . 8 TYR CA . 16978 1
73 . 1 1 7 7 TYR CB C 13 36.037 0.032 . 1 . . . . 8 TYR CB . 16978 1
74 . 1 1 7 7 TYR N N 15 130.311 0.008 . 1 . . . . 8 TYR N . 16978 1
75 . 1 1 8 8 GLU H H 1 9.019 0.004 . 1 . . . . 9 GLU H . 16978 1
76 . 1 1 8 8 GLU HA H 1 4.140 0.003 . 1 . . . . 9 GLU HA . 16978 1
77 . 1 1 8 8 GLU HB2 H 1 2.006 0.031 . 2 . . . . 9 GLU HB2 . 16978 1
78 . 1 1 8 8 GLU HB3 H 1 2.062 0.010 . 2 . . . . 9 GLU HB3 . 16978 1
79 . 1 1 8 8 GLU HG2 H 1 2.378 0.002 . 2 . . . . 9 GLU QG . 16978 1
80 . 1 1 8 8 GLU HG3 H 1 2.378 0.002 . 2 . . . . 9 GLU QG . 16978 1
81 . 1 1 8 8 GLU C C 13 176.863 0.000 . 1 . . . . 9 GLU C . 16978 1
82 . 1 1 8 8 GLU CA C 13 58.365 0.023 . 1 . . . . 9 GLU CA . 16978 1
83 . 1 1 8 8 GLU CB C 13 29.285 0.014 . 1 . . . . 9 GLU CB . 16978 1
84 . 1 1 8 8 GLU CG C 13 36.148 0.022 . 1 . . . . 9 GLU CG . 16978 1
85 . 1 1 8 8 GLU N N 15 130.840 0.015 . 1 . . . . 9 GLU N . 16978 1
86 . 1 1 9 9 ASN H H 1 9.237 0.002 . 1 . . . . 10 ASN H . 16978 1
87 . 1 1 9 9 ASN HA H 1 4.373 0.006 . 1 . . . . 10 ASN HA . 16978 1
88 . 1 1 9 9 ASN HB2 H 1 3.003 0.000 . 2 . . . . 10 ASN HB2 . 16978 1
89 . 1 1 9 9 ASN HB3 H 1 3.070 0.000 . 2 . . . . 10 ASN HB3 . 16978 1
90 . 1 1 9 9 ASN C C 13 174.323 0.000 . 1 . . . . 10 ASN C . 16978 1
91 . 1 1 9 9 ASN CA C 13 54.544 0.021 . 1 . . . . 10 ASN CA . 16978 1
92 . 1 1 9 9 ASN CB C 13 37.311 0.026 . 1 . . . . 10 ASN CB . 16978 1
93 . 1 1 9 9 ASN N N 15 116.048 0.014 . 1 . . . . 10 ASN N . 16978 1
94 . 1 1 10 10 TYR H H 1 7.509 0.003 . 1 . . . . 11 TYR H . 16978 1
95 . 1 1 10 10 TYR HA H 1 4.157 0.001 . 1 . . . . 11 TYR HA . 16978 1
96 . 1 1 10 10 TYR HB2 H 1 2.831 0.000 . 2 . . . . 11 TYR HB2 . 16978 1
97 . 1 1 10 10 TYR HB3 H 1 3.098 0.000 . 2 . . . . 11 TYR HB3 . 16978 1
98 . 1 1 10 10 TYR CA C 13 57.429 0.054 . 1 . . . . 11 TYR CA . 16978 1
99 . 1 1 10 10 TYR CB C 13 39.557 0.004 . 1 . . . . 11 TYR CB . 16978 1
100 . 1 1 10 10 TYR N N 15 122.642 0.005 . 1 . . . . 11 TYR N . 16978 1
101 . 1 1 11 11 PRO HA H 1 4.442 0.003 . 1 . . . . 12 PRO HA . 16978 1
102 . 1 1 11 11 PRO HB2 H 1 1.736 0.005 . 2 . . . . 12 PRO HB2 . 16978 1
103 . 1 1 11 11 PRO HB3 H 1 2.046 0.012 . 2 . . . . 12 PRO HB3 . 16978 1
104 . 1 1 11 11 PRO HD2 H 1 2.131 0.000 . 2 . . . . 12 PRO HD2 . 16978 1
105 . 1 1 11 11 PRO HD3 H 1 3.495 0.000 . 2 . . . . 12 PRO HD3 . 16978 1
106 . 1 1 11 11 PRO HG2 H 1 1.575 0.000 . 2 . . . . 12 PRO HG2 . 16978 1
107 . 1 1 11 11 PRO HG3 H 1 1.736 0.000 . 2 . . . . 12 PRO HG3 . 16978 1
108 . 1 1 11 11 PRO C C 13 176.993 0.000 . 1 . . . . 12 PRO C . 16978 1
109 . 1 1 11 11 PRO CA C 13 62.169 0.037 . 1 . . . . 12 PRO CA . 16978 1
110 . 1 1 11 11 PRO CB C 13 30.492 0.012 . 1 . . . . 12 PRO CB . 16978 1
111 . 1 1 11 11 PRO CD C 13 50.427 0.033 . 1 . . . . 12 PRO CD . 16978 1
112 . 1 1 11 11 PRO CG C 13 27.601 0.020 . 1 . . . . 12 PRO CG . 16978 1
113 . 1 1 12 12 VAL H H 1 8.072 0.003 . 1 . . . . 13 VAL H . 16978 1
114 . 1 1 12 12 VAL HA H 1 3.796 0.012 . 1 . . . . 13 VAL HA . 16978 1
115 . 1 1 12 12 VAL HB H 1 2.196 0.004 . 1 . . . . 13 VAL HB . 16978 1
116 . 1 1 12 12 VAL HG11 H 1 1.066 0.000 . 2 . . . . 13 VAL HG1 . 16978 1
117 . 1 1 12 12 VAL HG12 H 1 1.066 0.000 . 2 . . . . 13 VAL HG1 . 16978 1
118 . 1 1 12 12 VAL HG13 H 1 1.066 0.000 . 2 . . . . 13 VAL HG1 . 16978 1
119 . 1 1 12 12 VAL HG21 H 1 1.090 0.000 . 2 . . . . 13 VAL HG2 . 16978 1
120 . 1 1 12 12 VAL HG22 H 1 1.090 0.000 . 2 . . . . 13 VAL HG2 . 16978 1
121 . 1 1 12 12 VAL HG23 H 1 1.090 0.000 . 2 . . . . 13 VAL HG2 . 16978 1
122 . 1 1 12 12 VAL C C 13 178.534 0.000 . 1 . . . . 13 VAL C . 16978 1
123 . 1 1 12 12 VAL CA C 13 65.777 0.025 . 1 . . . . 13 VAL CA . 16978 1
124 . 1 1 12 12 VAL CB C 13 31.564 0.035 . 1 . . . . 13 VAL CB . 16978 1
125 . 1 1 12 12 VAL CG1 C 13 20.701 0.008 . 2 . . . . 13 VAL CG1 . 16978 1
126 . 1 1 12 12 VAL CG2 C 13 21.449 0.027 . 2 . . . . 13 VAL CG2 . 16978 1
127 . 1 1 12 12 VAL N N 15 123.994 0.020 . 1 . . . . 13 VAL N . 16978 1
128 . 1 1 13 13 SER H H 1 8.371 0.004 . 1 . . . . 14 SER H . 16978 1
129 . 1 1 13 13 SER HA H 1 4.137 0.010 . 1 . . . . 14 SER HA . 16978 1
130 . 1 1 13 13 SER HB2 H 1 3.821 0.005 . 2 . . . . 14 SER QB . 16978 1
131 . 1 1 13 13 SER HB3 H 1 3.821 0.005 . 2 . . . . 14 SER QB . 16978 1
132 . 1 1 13 13 SER C C 13 177.767 0.000 . 1 . . . . 14 SER C . 16978 1
133 . 1 1 13 13 SER CA C 13 61.144 0.051 . 1 . . . . 14 SER CA . 16978 1
134 . 1 1 13 13 SER CB C 13 61.789 0.069 . 1 . . . . 14 SER CB . 16978 1
135 . 1 1 13 13 SER N N 15 117.270 0.011 . 1 . . . . 14 SER N . 16978 1
136 . 1 1 14 14 LYS H H 1 7.837 0.005 . 1 . . . . 15 LYS H . 16978 1
137 . 1 1 14 14 LYS HA H 1 4.047 0.002 . 1 . . . . 15 LYS HA . 16978 1
138 . 1 1 14 14 LYS HB2 H 1 1.829 0.003 . 2 . . . . 15 LYS HB2 . 16978 1
139 . 1 1 14 14 LYS HB3 H 1 1.906 0.004 . 2 . . . . 15 LYS HB3 . 16978 1
140 . 1 1 14 14 LYS HD2 H 1 1.416 0.000 . 2 . . . . 15 LYS QD . 16978 1
141 . 1 1 14 14 LYS HD3 H 1 1.416 0.000 . 2 . . . . 15 LYS QD . 16978 1
142 . 1 1 14 14 LYS HG2 H 1 1.213 0.000 . 2 . . . . 15 LYS QG . 16978 1
143 . 1 1 14 14 LYS HG3 H 1 1.213 0.000 . 2 . . . . 15 LYS QG . 16978 1
144 . 1 1 14 14 LYS C C 13 178.739 0.000 . 1 . . . . 15 LYS C . 16978 1
145 . 1 1 14 14 LYS CA C 13 59.770 0.011 . 1 . . . . 15 LYS CA . 16978 1
146 . 1 1 14 14 LYS CB C 13 31.633 0.013 . 1 . . . . 15 LYS CB . 16978 1
147 . 1 1 14 14 LYS CE C 13 41.702 0.000 . 1 . . . . 15 LYS CE . 16978 1
148 . 1 1 14 14 LYS CG C 13 27.202 0.000 . 1 . . . . 15 LYS CG . 16978 1
149 . 1 1 14 14 LYS N N 15 121.380 0.012 . 1 . . . . 15 LYS N . 16978 1
150 . 1 1 15 15 CYS H H 1 7.852 0.004 . 2 . . . . 16 CYS H . 16978 1
151 . 1 1 15 15 CYS HA H 1 4.739 0.009 . 2 . . . . 16 CYS HA . 16978 1
152 . 1 1 15 15 CYS HB2 H 1 2.995 0.003 . 2 . . . . 16 CYS HB2 . 16978 1
153 . 1 1 15 15 CYS HB3 H 1 3.197 0.002 . 2 . . . . 16 CYS HB3 . 16978 1
154 . 1 1 15 15 CYS C C 13 175.748 0.000 . 2 . . . . 16 CYS C . 16978 1
155 . 1 1 15 15 CYS CA C 13 58.048 0.099 . 2 . . . . 16 CYS CA . 16978 1
156 . 1 1 15 15 CYS CB C 13 40.639 0.040 . 2 . . . . 16 CYS CB . 16978 1
157 . 1 1 15 15 CYS N N 15 115.720 0.020 . 2 . . . . 16 CYS N . 16978 1
158 . 1 1 16 16 GLN H H 1 7.374 0.004 . 1 . . . . 17 GLN H . 16978 1
159 . 1 1 16 16 GLN HA H 1 4.208 0.003 . 1 . . . . 17 GLN HA . 16978 1
160 . 1 1 16 16 GLN HB2 H 1 2.004 0.004 . 2 . . . . 17 GLN HB2 . 16978 1
161 . 1 1 16 16 GLN HB3 H 1 2.253 0.005 . 2 . . . . 17 GLN HB3 . 16978 1
162 . 1 1 16 16 GLN HG2 H 1 2.386 0.007 . 2 . . . . 17 GLN QG . 16978 1
163 . 1 1 16 16 GLN HG3 H 1 2.386 0.007 . 2 . . . . 17 GLN QG . 16978 1
164 . 1 1 16 16 GLN C C 13 175.377 0.000 . 1 . . . . 17 GLN C . 16978 1
165 . 1 1 16 16 GLN CA C 13 56.553 0.030 . 1 . . . . 17 GLN CA . 16978 1
166 . 1 1 16 16 GLN CB C 13 28.890 0.019 . 1 . . . . 17 GLN CB . 16978 1
167 . 1 1 16 16 GLN CG C 13 34.032 0.034 . 1 . . . . 17 GLN CG . 16978 1
168 . 1 1 16 16 GLN N N 15 115.469 0.020 . 1 . . . . 17 GLN N . 16978 1
169 . 1 1 17 17 LEU H H 1 7.297 0.005 . 1 . . . . 18 LEU H . 16978 1
170 . 1 1 17 17 LEU HA H 1 4.508 0.005 . 1 . . . . 18 LEU HA . 16978 1
171 . 1 1 17 17 LEU HB2 H 1 1.565 0.001 . 2 . . . . 18 LEU HB2 . 16978 1
172 . 1 1 17 17 LEU HB3 H 1 1.920 0.001 . 2 . . . . 18 LEU HB3 . 16978 1
173 . 1 1 17 17 LEU HD11 H 1 0.884 0.015 . 2 . . . . 18 LEU HD1 . 16978 1
174 . 1 1 17 17 LEU HD12 H 1 0.884 0.015 . 2 . . . . 18 LEU HD1 . 16978 1
175 . 1 1 17 17 LEU HD13 H 1 0.884 0.015 . 2 . . . . 18 LEU HD1 . 16978 1
176 . 1 1 17 17 LEU HD21 H 1 0.917 0.000 . 2 . . . . 18 LEU HD2 . 16978 1
177 . 1 1 17 17 LEU HD22 H 1 0.917 0.000 . 2 . . . . 18 LEU HD2 . 16978 1
178 . 1 1 17 17 LEU HD23 H 1 0.917 0.000 . 2 . . . . 18 LEU HD2 . 16978 1
179 . 1 1 17 17 LEU HG H 1 1.671 0.002 . 1 . . . . 18 LEU HG . 16978 1
180 . 1 1 17 17 LEU C C 13 176.430 0.000 . 1 . . . . 18 LEU C . 16978 1
181 . 1 1 17 17 LEU CA C 13 53.610 0.038 . 1 . . . . 18 LEU CA . 16978 1
182 . 1 1 17 17 LEU CB C 13 42.426 0.013 . 1 . . . . 18 LEU CB . 16978 1
183 . 1 1 17 17 LEU CD1 C 13 23.207 0.008 . 2 . . . . 18 LEU CD1 . 16978 1
184 . 1 1 17 17 LEU CD2 C 13 25.378 0.026 . 2 . . . . 18 LEU CD2 . 16978 1
185 . 1 1 17 17 LEU CG C 13 26.657 0.050 . 1 . . . . 18 LEU CG . 16978 1
186 . 1 1 17 17 LEU N N 15 121.213 0.009 . 1 . . . . 18 LEU N . 16978 1
187 . 1 1 18 18 ALA H H 1 8.552 0.003 . 1 . . . . 19 ALA H . 16978 1
188 . 1 1 18 18 ALA HA H 1 4.117 0.002 . 1 . . . . 19 ALA HA . 16978 1
189 . 1 1 18 18 ALA HB1 H 1 1.370 0.004 . 1 . . . . 19 ALA HB . 16978 1
190 . 1 1 18 18 ALA HB2 H 1 1.370 0.004 . 1 . . . . 19 ALA HB . 16978 1
191 . 1 1 18 18 ALA HB3 H 1 1.370 0.004 . 1 . . . . 19 ALA HB . 16978 1
192 . 1 1 18 18 ALA C C 13 178.925 0.000 . 1 . . . . 19 ALA C . 16978 1
193 . 1 1 18 18 ALA CA C 13 54.084 0.032 . 1 . . . . 19 ALA CA . 16978 1
194 . 1 1 18 18 ALA CB C 13 18.260 0.055 . 1 . . . . 19 ALA CB . 16978 1
195 . 1 1 18 18 ALA N N 15 127.902 0.009 . 1 . . . . 19 ALA N . 16978 1
196 . 1 1 19 19 ASN H H 1 9.051 0.005 . 1 . . . . 20 ASN H . 16978 1
197 . 1 1 19 19 ASN HA H 1 4.612 0.005 . 1 . . . . 20 ASN HA . 16978 1
198 . 1 1 19 19 ASN HB2 H 1 2.799 0.003 . 2 . . . . 20 ASN HB2 . 16978 1
199 . 1 1 19 19 ASN HB3 H 1 2.960 0.006 . 2 . . . . 20 ASN HB3 . 16978 1
200 . 1 1 19 19 ASN C C 13 175.123 0.000 . 1 . . . . 20 ASN C . 16978 1
201 . 1 1 19 19 ASN CA C 13 55.151 0.062 . 1 . . . . 20 ASN CA . 16978 1
202 . 1 1 19 19 ASN CB C 13 39.392 0.018 . 1 . . . . 20 ASN CB . 16978 1
203 . 1 1 19 19 ASN N N 15 116.129 0.012 . 1 . . . . 20 ASN N . 16978 1
204 . 1 1 20 20 GLN H H 1 7.661 0.004 . 1 . . . . 21 GLN H . 16978 1
205 . 1 1 20 20 GLN HA H 1 3.844 0.002 . 1 . . . . 21 GLN HA . 16978 1
206 . 1 1 20 20 GLN HB2 H 1 2.035 0.002 . 2 . . . . 21 GLN HB2 . 16978 1
207 . 1 1 20 20 GLN HB3 H 1 2.421 0.005 . 2 . . . . 21 GLN HB3 . 16978 1
208 . 1 1 20 20 GLN HG2 H 1 2.237 0.000 . 2 . . . . 21 GLN HG2 . 16978 1
209 . 1 1 20 20 GLN HG3 H 1 2.628 0.003 . 2 . . . . 21 GLN HG3 . 16978 1
210 . 1 1 20 20 GLN C C 13 176.414 0.000 . 1 . . . . 21 GLN C . 16978 1
211 . 1 1 20 20 GLN CA C 13 59.547 0.018 . 1 . . . . 21 GLN CA . 16978 1
212 . 1 1 20 20 GLN CB C 13 29.540 0.018 . 1 . . . . 21 GLN CB . 16978 1
213 . 1 1 20 20 GLN CG C 13 34.049 0.022 . 1 . . . . 21 GLN CG . 16978 1
214 . 1 1 20 20 GLN N N 15 122.963 0.007 . 1 . . . . 21 GLN N . 16978 1
215 . 1 1 21 21 CYS H H 1 8.426 0.003 . 2 . . . . 22 CYS H . 16978 1
216 . 1 1 21 21 CYS HA H 1 4.305 0.006 . 2 . . . . 22 CYS HA . 16978 1
217 . 1 1 21 21 CYS HB2 H 1 2.509 0.005 . 2 . . . . 22 CYS HB2 . 16978 1
218 . 1 1 21 21 CYS HB3 H 1 2.842 0.009 . 2 . . . . 22 CYS HB3 . 16978 1
219 . 1 1 21 21 CYS C C 13 175.800 0.000 . 2 . . . . 22 CYS C . 16978 1
220 . 1 1 21 21 CYS CA C 13 58.538 0.032 . 2 . . . . 22 CYS CA . 16978 1
221 . 1 1 21 21 CYS CB C 13 38.852 0.041 . 2 . . . . 22 CYS CB . 16978 1
222 . 1 1 21 21 CYS N N 15 119.115 0.015 . 2 . . . . 22 CYS N . 16978 1
223 . 1 1 22 22 ASN H H 1 7.987 0.006 . 1 . . . . 23 ASN H . 16978 1
224 . 1 1 22 22 ASN HA H 1 3.839 0.006 . 1 . . . . 23 ASN HA . 16978 1
225 . 1 1 22 22 ASN HB2 H 1 2.713 0.005 . 2 . . . . 23 ASN HB2 . 16978 1
226 . 1 1 22 22 ASN HB3 H 1 3.038 0.001 . 2 . . . . 23 ASN HB3 . 16978 1
227 . 1 1 22 22 ASN C C 13 175.913 0.000 . 1 . . . . 23 ASN C . 16978 1
228 . 1 1 22 22 ASN CA C 13 57.756 0.024 . 1 . . . . 23 ASN CA . 16978 1
229 . 1 1 22 22 ASN CB C 13 39.240 0.014 . 1 . . . . 23 ASN CB . 16978 1
230 . 1 1 22 22 ASN N N 15 118.724 0.013 . 1 . . . . 23 ASN N . 16978 1
231 . 1 1 23 23 TYR H H 1 8.118 0.003 . 1 . . . . 24 TYR H . 16978 1
232 . 1 1 23 23 TYR HA H 1 3.940 0.002 . 1 . . . . 24 TYR HA . 16978 1
233 . 1 1 23 23 TYR HB2 H 1 3.183 0.018 . 2 . . . . 24 TYR QB . 16978 1
234 . 1 1 23 23 TYR HB3 H 1 3.183 0.018 . 2 . . . . 24 TYR QB . 16978 1
235 . 1 1 23 23 TYR C C 13 177.972 0.000 . 1 . . . . 24 TYR C . 16978 1
236 . 1 1 23 23 TYR CA C 13 61.584 0.019 . 1 . . . . 24 TYR CA . 16978 1
237 . 1 1 23 23 TYR CB C 13 38.416 0.010 . 1 . . . . 24 TYR CB . 16978 1
238 . 1 1 23 23 TYR N N 15 118.080 0.019 . 1 . . . . 24 TYR N . 16978 1
239 . 1 1 24 24 ASP H H 1 9.045 0.002 . 1 . . . . 25 ASP H . 16978 1
240 . 1 1 24 24 ASP HA H 1 4.639 0.004 . 1 . . . . 25 ASP HA . 16978 1
241 . 1 1 24 24 ASP HB2 H 1 2.818 0.009 . 2 . . . . 25 ASP HB2 . 16978 1
242 . 1 1 24 24 ASP HB3 H 1 3.164 0.003 . 2 . . . . 25 ASP HB3 . 16978 1
243 . 1 1 24 24 ASP C C 13 179.844 0.000 . 1 . . . . 25 ASP C . 16978 1
244 . 1 1 24 24 ASP CA C 13 57.842 0.004 . 1 . . . . 25 ASP CA . 16978 1
245 . 1 1 24 24 ASP CB C 13 40.565 0.042 . 1 . . . . 25 ASP CB . 16978 1
246 . 1 1 24 24 ASP N N 15 120.032 0.007 . 1 . . . . 25 ASP N . 16978 1
247 . 1 1 25 25 CYS H H 1 9.348 0.005 . 2 . . . . 26 CYS H . 16978 1
248 . 1 1 25 25 CYS HA H 1 4.117 0.012 . 2 . . . . 26 CYS HA . 16978 1
249 . 1 1 25 25 CYS HB2 H 1 2.333 0.006 . 2 . . . . 26 CYS HB2 . 16978 1
250 . 1 1 25 25 CYS HB3 H 1 2.880 0.005 . 2 . . . . 26 CYS HB3 . 16978 1
251 . 1 1 25 25 CYS C C 13 177.647 0.000 . 2 . . . . 26 CYS C . 16978 1
252 . 1 1 25 25 CYS CA C 13 60.451 0.055 . 2 . . . . 26 CYS CA . 16978 1
253 . 1 1 25 25 CYS CB C 13 36.674 0.039 . 2 . . . . 26 CYS CB . 16978 1
254 . 1 1 25 25 CYS N N 15 120.289 0.012 . 2 . . . . 26 CYS N . 16978 1
255 . 1 1 26 26 LYS H H 1 7.677 0.004 . 1 . . . . 27 LYS H . 16978 1
256 . 1 1 26 26 LYS HA H 1 4.164 0.002 . 1 . . . . 27 LYS HA . 16978 1
257 . 1 1 26 26 LYS HB2 H 1 1.704 0.003 . 2 . . . . 27 LYS QB . 16978 1
258 . 1 1 26 26 LYS HB3 H 1 1.704 0.003 . 2 . . . . 27 LYS QB . 16978 1
259 . 1 1 26 26 LYS HG2 H 1 1.182 0.003 . 2 . . . . 27 LYS HG2 . 16978 1
260 . 1 1 26 26 LYS HG3 H 1 1.445 0.014 . 2 . . . . 27 LYS HG3 . 16978 1
261 . 1 1 26 26 LYS C C 13 179.001 0.000 . 1 . . . . 27 LYS C . 16978 1
262 . 1 1 26 26 LYS CA C 13 59.736 0.067 . 1 . . . . 27 LYS CA . 16978 1
263 . 1 1 26 26 LYS CB C 13 32.552 0.031 . 1 . . . . 27 LYS CB . 16978 1
264 . 1 1 26 26 LYS CG C 13 24.372 0.034 . 1 . . . . 27 LYS CG . 16978 1
265 . 1 1 26 26 LYS N N 15 119.898 0.014 . 1 . . . . 27 LYS N . 16978 1
266 . 1 1 27 27 LEU H H 1 8.332 0.004 . 1 . . . . 28 LEU H . 16978 1
267 . 1 1 27 27 LEU HA H 1 4.060 0.005 . 1 . . . . 28 LEU HA . 16978 1
268 . 1 1 27 27 LEU HB2 H 1 1.501 0.004 . 2 . . . . 28 LEU HB2 . 16978 1
269 . 1 1 27 27 LEU HB3 H 1 1.636 0.009 . 2 . . . . 28 LEU HB3 . 16978 1
270 . 1 1 27 27 LEU HD11 H 1 0.800 0.007 . 2 . . . . 28 LEU HD1 . 16978 1
271 . 1 1 27 27 LEU HD12 H 1 0.800 0.007 . 2 . . . . 28 LEU HD1 . 16978 1
272 . 1 1 27 27 LEU HD13 H 1 0.800 0.007 . 2 . . . . 28 LEU HD1 . 16978 1
273 . 1 1 27 27 LEU HD21 H 1 0.825 0.000 . 2 . . . . 28 LEU HD2 . 16978 1
274 . 1 1 27 27 LEU HD22 H 1 0.825 0.000 . 2 . . . . 28 LEU HD2 . 16978 1
275 . 1 1 27 27 LEU HD23 H 1 0.825 0.000 . 2 . . . . 28 LEU HD2 . 16978 1
276 . 1 1 27 27 LEU C C 13 178.510 0.000 . 1 . . . . 28 LEU C . 16978 1
277 . 1 1 27 27 LEU CA C 13 57.535 0.034 . 1 . . . . 28 LEU CA . 16978 1
278 . 1 1 27 27 LEU CB C 13 42.328 0.020 . 1 . . . . 28 LEU CB . 16978 1
279 . 1 1 27 27 LEU CD1 C 13 23.978 0.000 . 2 . . . . 28 LEU CD1 . 16978 1
280 . 1 1 27 27 LEU CD2 C 13 24.389 0.000 . 2 . . . . 28 LEU CD2 . 16978 1
281 . 1 1 27 27 LEU CG C 13 27.528 0.000 . 1 . . . . 28 LEU CG . 16978 1
282 . 1 1 27 27 LEU N N 15 120.111 0.031 . 1 . . . . 28 LEU N . 16978 1
283 . 1 1 28 28 ASP H H 1 9.000 0.004 . 1 . . . . 29 ASP H . 16978 1
284 . 1 1 28 28 ASP HA H 1 4.493 0.003 . 1 . . . . 29 ASP HA . 16978 1
285 . 1 1 28 28 ASP HB2 H 1 2.807 0.005 . 2 . . . . 29 ASP HB2 . 16978 1
286 . 1 1 28 28 ASP HB3 H 1 3.011 0.010 . 2 . . . . 29 ASP HB3 . 16978 1
287 . 1 1 28 28 ASP C C 13 178.370 0.000 . 1 . . . . 29 ASP C . 16978 1
288 . 1 1 28 28 ASP CA C 13 56.173 0.050 . 1 . . . . 29 ASP CA . 16978 1
289 . 1 1 28 28 ASP CB C 13 40.602 0.016 . 1 . . . . 29 ASP CB . 16978 1
290 . 1 1 28 28 ASP N N 15 117.021 0.010 . 1 . . . . 29 ASP N . 16978 1
291 . 1 1 29 29 LYS H H 1 6.686 0.007 . 1 . . . . 30 LYS H . 16978 1
292 . 1 1 29 29 LYS HA H 1 4.481 0.002 . 1 . . . . 30 LYS HA . 16978 1
293 . 1 1 29 29 LYS HB2 H 1 2.306 0.025 . 2 . . . . 30 LYS QB . 16978 1
294 . 1 1 29 29 LYS HB3 H 1 2.306 0.025 . 2 . . . . 30 LYS QB . 16978 1
295 . 1 1 29 29 LYS HG2 H 1 0.889 0.000 . 2 . . . . 30 LYS HG2 . 16978 1
296 . 1 1 29 29 LYS HG3 H 1 1.185 0.000 . 2 . . . . 30 LYS HG3 . 16978 1
297 . 1 1 29 29 LYS C C 13 176.664 0.000 . 1 . . . . 30 LYS C . 16978 1
298 . 1 1 29 29 LYS CA C 13 53.330 0.017 . 1 . . . . 30 LYS CA . 16978 1
299 . 1 1 29 29 LYS CB C 13 32.073 0.036 . 1 . . . . 30 LYS CB . 16978 1
300 . 1 1 29 29 LYS CD C 13 27.807 0.000 . 1 . . . . 30 LYS CD . 16978 1
301 . 1 1 29 29 LYS CG C 13 24.490 0.000 . 1 . . . . 30 LYS CG . 16978 1
302 . 1 1 29 29 LYS N N 15 112.261 0.004 . 1 . . . . 30 LYS N . 16978 1
303 . 1 1 30 30 HIS H H 1 7.072 0.004 . 1 . . . . 31 HIS H . 16978 1
304 . 1 1 30 30 HIS HA H 1 4.569 0.005 . 1 . . . . 31 HIS HA . 16978 1
305 . 1 1 30 30 HIS HB2 H 1 3.505 0.005 . 2 . . . . 31 HIS QB . 16978 1
306 . 1 1 30 30 HIS HB3 H 1 3.505 0.005 . 2 . . . . 31 HIS QB . 16978 1
307 . 1 1 30 30 HIS C C 13 174.010 0.000 . 1 . . . . 31 HIS C . 16978 1
308 . 1 1 30 30 HIS CA C 13 56.307 0.022 . 1 . . . . 31 HIS CA . 16978 1
309 . 1 1 30 30 HIS CB C 13 25.942 0.043 . 1 . . . . 31 HIS CB . 16978 1
310 . 1 1 30 30 HIS N N 15 113.107 0.016 . 1 . . . . 31 HIS N . 16978 1
311 . 1 1 31 31 ALA H H 1 7.662 0.003 . 1 . . . . 32 ALA H . 16978 1
312 . 1 1 31 31 ALA HA H 1 4.240 0.003 . 1 . . . . 32 ALA HA . 16978 1
313 . 1 1 31 31 ALA HB1 H 1 0.784 0.005 . 1 . . . . 32 ALA HB . 16978 1
314 . 1 1 31 31 ALA HB2 H 1 0.784 0.005 . 1 . . . . 32 ALA HB . 16978 1
315 . 1 1 31 31 ALA HB3 H 1 0.784 0.005 . 1 . . . . 32 ALA HB . 16978 1
316 . 1 1 31 31 ALA C C 13 175.771 0.000 . 1 . . . . 32 ALA C . 16978 1
317 . 1 1 31 31 ALA CA C 13 50.792 0.018 . 1 . . . . 32 ALA CA . 16978 1
318 . 1 1 31 31 ALA CB C 13 20.152 0.033 . 1 . . . . 32 ALA CB . 16978 1
319 . 1 1 31 31 ALA N N 15 120.676 0.016 . 1 . . . . 32 ALA N . 16978 1
320 . 1 1 32 32 ARG H H 1 8.495 0.009 . 1 . . . . 33 ARG H . 16978 1
321 . 1 1 32 32 ARG HA H 1 4.124 0.008 . 1 . . . . 33 ARG HA . 16978 1
322 . 1 1 32 32 ARG HB2 H 1 1.749 0.000 . 2 . . . . 33 ARG HB2 . 16978 1
323 . 1 1 32 32 ARG HB3 H 1 1.838 0.000 . 2 . . . . 33 ARG HB3 . 16978 1
324 . 1 1 32 32 ARG HD2 H 1 3.138 0.006 . 2 . . . . 33 ARG QD . 16978 1
325 . 1 1 32 32 ARG HD3 H 1 3.138 0.006 . 2 . . . . 33 ARG QD . 16978 1
326 . 1 1 32 32 ARG HG2 H 1 1.648 0.017 . 2 . . . . 33 ARG QG . 16978 1
327 . 1 1 32 32 ARG HG3 H 1 1.648 0.017 . 2 . . . . 33 ARG QG . 16978 1
328 . 1 1 32 32 ARG C C 13 176.769 0.000 . 1 . . . . 33 ARG C . 16978 1
329 . 1 1 32 32 ARG CA C 13 58.186 0.030 . 1 . . . . 33 ARG CA . 16978 1
330 . 1 1 32 32 ARG CB C 13 30.940 0.009 . 1 . . . . 33 ARG CB . 16978 1
331 . 1 1 32 32 ARG CD C 13 43.233 0.039 . 1 . . . . 33 ARG CD . 16978 1
332 . 1 1 32 32 ARG CG C 13 26.897 0.019 . 1 . . . . 33 ARG CG . 16978 1
333 . 1 1 32 32 ARG N N 15 118.489 0.007 . 1 . . . . 33 ARG N . 16978 1
334 . 1 1 33 33 SER H H 1 7.536 0.006 . 1 . . . . 34 SER H . 16978 1
335 . 1 1 33 33 SER HA H 1 4.613 0.005 . 1 . . . . 34 SER HA . 16978 1
336 . 1 1 33 33 SER HB2 H 1 4.041 0.003 . 2 . . . . 34 SER QB . 16978 1
337 . 1 1 33 33 SER HB3 H 1 4.041 0.003 . 2 . . . . 34 SER QB . 16978 1
338 . 1 1 33 33 SER C C 13 173.089 0.000 . 1 . . . . 34 SER C . 16978 1
339 . 1 1 33 33 SER CA C 13 57.227 0.010 . 1 . . . . 34 SER CA . 16978 1
340 . 1 1 33 33 SER CB C 13 64.798 0.042 . 1 . . . . 34 SER CB . 16978 1
341 . 1 1 33 33 SER N N 15 106.778 0.012 . 1 . . . . 34 SER N . 16978 1
342 . 1 1 34 34 GLY H H 1 8.707 0.003 . 1 . . . . 35 GLY H . 16978 1
343 . 1 1 34 34 GLY HA2 H 1 4.203 0.012 . 2 . . . . 35 GLY HA2 . 16978 1
344 . 1 1 34 34 GLY HA3 H 1 4.841 0.005 . 2 . . . . 35 GLY HA3 . 16978 1
345 . 1 1 34 34 GLY C C 13 171.040 0.000 . 1 . . . . 35 GLY C . 16978 1
346 . 1 1 34 34 GLY CA C 13 47.177 0.034 . 1 . . . . 35 GLY CA . 16978 1
347 . 1 1 34 34 GLY N N 15 108.045 0.018 . 1 . . . . 35 GLY N . 16978 1
348 . 1 1 35 35 GLU H H 1 8.423 0.004 . 1 . . . . 36 GLU H . 16978 1
349 . 1 1 35 35 GLU HA H 1 4.278 0.004 . 1 . . . . 36 GLU HA . 16978 1
350 . 1 1 35 35 GLU HB2 H 1 1.857 0.005 . 2 . . . . 36 GLU HB2 . 16978 1
351 . 1 1 35 35 GLU HB3 H 1 2.012 0.012 . 2 . . . . 36 GLU HB3 . 16978 1
352 . 1 1 35 35 GLU HG2 H 1 2.015 0.000 . 2 . . . . 36 GLU HG2 . 16978 1
353 . 1 1 35 35 GLU HG3 H 1 2.057 0.000 . 2 . . . . 36 GLU HG3 . 16978 1
354 . 1 1 35 35 GLU C C 13 174.343 0.000 . 1 . . . . 36 GLU C . 16978 1
355 . 1 1 35 35 GLU CA C 13 55.480 0.027 . 1 . . . . 36 GLU CA . 16978 1
356 . 1 1 35 35 GLU CB C 13 32.729 0.021 . 1 . . . . 36 GLU CB . 16978 1
357 . 1 1 35 35 GLU CG C 13 35.036 0.012 . 1 . . . . 36 GLU CG . 16978 1
358 . 1 1 35 35 GLU N N 15 118.101 0.027 . 1 . . . . 36 GLU N . 16978 1
359 . 1 1 36 36 CYS H H 1 8.757 0.011 . 2 . . . . 37 CYS H . 16978 1
360 . 1 1 36 36 CYS HA H 1 6.132 0.003 . 2 . . . . 37 CYS HA . 16978 1
361 . 1 1 36 36 CYS HB2 H 1 2.514 0.004 . 2 . . . . 37 CYS HB2 . 16978 1
362 . 1 1 36 36 CYS HB3 H 1 3.646 0.004 . 2 . . . . 37 CYS HB3 . 16978 1
363 . 1 1 36 36 CYS C C 13 173.831 0.000 . 2 . . . . 37 CYS C . 16978 1
364 . 1 1 36 36 CYS CA C 13 56.550 0.023 . 2 . . . . 37 CYS CA . 16978 1
365 . 1 1 36 36 CYS CB C 13 46.113 0.024 . 2 . . . . 37 CYS CB . 16978 1
366 . 1 1 36 36 CYS N N 15 119.972 0.016 . 2 . . . . 37 CYS N . 16978 1
367 . 1 1 37 37 PHE H H 1 9.038 0.003 . 1 . . . . 38 PHE H . 16978 1
368 . 1 1 37 37 PHE HA H 1 4.702 0.005 . 1 . . . . 38 PHE HA . 16978 1
369 . 1 1 37 37 PHE HB2 H 1 2.749 0.003 . 2 . . . . 38 PHE HB2 . 16978 1
370 . 1 1 37 37 PHE HB3 H 1 3.124 0.006 . 2 . . . . 38 PHE HB3 . 16978 1
371 . 1 1 37 37 PHE C C 13 174.786 0.000 . 1 . . . . 38 PHE C . 16978 1
372 . 1 1 37 37 PHE CA C 13 56.645 0.031 . 1 . . . . 38 PHE CA . 16978 1
373 . 1 1 37 37 PHE CB C 13 43.478 0.022 . 1 . . . . 38 PHE CB . 16978 1
374 . 1 1 37 37 PHE N N 15 121.155 0.019 . 1 . . . . 38 PHE N . 16978 1
375 . 1 1 38 38 TYR H H 1 8.587 0.005 . 1 . . . . 39 TYR H . 16978 1
376 . 1 1 38 38 TYR HA H 1 4.871 0.002 . 1 . . . . 39 TYR HA . 16978 1
377 . 1 1 38 38 TYR HB2 H 1 2.832 0.003 . 2 . . . . 39 TYR QB . 16978 1
378 . 1 1 38 38 TYR HB3 H 1 2.832 0.003 . 2 . . . . 39 TYR QB . 16978 1
379 . 1 1 38 38 TYR C C 13 176.646 0.000 . 1 . . . . 39 TYR C . 16978 1
380 . 1 1 38 38 TYR CA C 13 58.613 0.008 . 1 . . . . 39 TYR CA . 16978 1
381 . 1 1 38 38 TYR CB C 13 40.304 0.030 . 1 . . . . 39 TYR CB . 16978 1
382 . 1 1 38 38 TYR N N 15 121.493 0.011 . 1 . . . . 39 TYR N . 16978 1
383 . 1 1 39 39 ASP H H 1 8.575 0.003 . 1 . . . . 40 ASP H . 16978 1
384 . 1 1 39 39 ASP HA H 1 4.705 0.006 . 1 . . . . 40 ASP HA . 16978 1
385 . 1 1 39 39 ASP HB2 H 1 2.748 0.006 . 2 . . . . 40 ASP HB2 . 16978 1
386 . 1 1 39 39 ASP HB3 H 1 3.320 0.006 . 2 . . . . 40 ASP HB3 . 16978 1
387 . 1 1 39 39 ASP C C 13 178.544 0.000 . 1 . . . . 40 ASP C . 16978 1
388 . 1 1 39 39 ASP CA C 13 52.359 0.027 . 1 . . . . 40 ASP CA . 16978 1
389 . 1 1 39 39 ASP CB C 13 41.447 0.021 . 1 . . . . 40 ASP CB . 16978 1
390 . 1 1 39 39 ASP N N 15 123.208 0.007 . 1 . . . . 40 ASP N . 16978 1
391 . 1 1 40 40 GLU H H 1 9.057 0.008 . 1 . . . . 41 GLU H . 16978 1
392 . 1 1 40 40 GLU HA H 1 4.181 0.005 . 1 . . . . 41 GLU HA . 16978 1
393 . 1 1 40 40 GLU HB2 H 1 2.125 0.003 . 2 . . . . 41 GLU QB . 16978 1
394 . 1 1 40 40 GLU HB3 H 1 2.125 0.003 . 2 . . . . 41 GLU QB . 16978 1
395 . 1 1 40 40 GLU HG2 H 1 2.372 0.004 . 2 . . . . 41 GLU QG . 16978 1
396 . 1 1 40 40 GLU HG3 H 1 2.372 0.004 . 2 . . . . 41 GLU QG . 16978 1
397 . 1 1 40 40 GLU C C 13 177.426 0.000 . 1 . . . . 41 GLU C . 16978 1
398 . 1 1 40 40 GLU CA C 13 59.077 0.014 . 1 . . . . 41 GLU CA . 16978 1
399 . 1 1 40 40 GLU CB C 13 28.869 0.010 . 1 . . . . 41 GLU CB . 16978 1
400 . 1 1 40 40 GLU CG C 13 36.172 0.002 . 1 . . . . 41 GLU CG . 16978 1
401 . 1 1 40 40 GLU N N 15 118.023 0.016 . 1 . . . . 41 GLU N . 16978 1
402 . 1 1 41 41 LYS H H 1 8.124 0.004 . 1 . . . . 42 LYS H . 16978 1
403 . 1 1 41 41 LYS HA H 1 4.388 0.027 . 1 . . . . 42 LYS HA . 16978 1
404 . 1 1 41 41 LYS HB2 H 1 1.794 0.007 . 2 . . . . 42 LYS HB2 . 16978 1
405 . 1 1 41 41 LYS HB3 H 1 2.048 0.006 . 2 . . . . 42 LYS HB3 . 16978 1
406 . 1 1 41 41 LYS HG2 H 1 1.360 0.000 . 2 . . . . 42 LYS HG2 . 16978 1
407 . 1 1 41 41 LYS HG3 H 1 1.436 0.000 . 2 . . . . 42 LYS HG3 . 16978 1
408 . 1 1 41 41 LYS C C 13 175.408 0.000 . 1 . . . . 42 LYS C . 16978 1
409 . 1 1 41 41 LYS CA C 13 55.486 0.053 . 1 . . . . 42 LYS CA . 16978 1
410 . 1 1 41 41 LYS CB C 13 32.063 0.022 . 1 . . . . 42 LYS CB . 16978 1
411 . 1 1 41 41 LYS CD C 13 28.963 0.000 . 1 . . . . 42 LYS CD . 16978 1
412 . 1 1 41 41 LYS CE C 13 42.348 0.000 . 1 . . . . 42 LYS CE . 16978 1
413 . 1 1 41 41 LYS CG C 13 25.410 0.013 . 1 . . . . 42 LYS CG . 16978 1
414 . 1 1 41 41 LYS N N 15 120.126 0.017 . 1 . . . . 42 LYS N . 16978 1
415 . 1 1 42 42 ARG H H 1 8.289 0.004 . 1 . . . . 43 ARG H . 16978 1
416 . 1 1 42 42 ARG HA H 1 3.601 0.003 . 1 . . . . 43 ARG HA . 16978 1
417 . 1 1 42 42 ARG HB2 H 1 2.040 0.006 . 2 . . . . 43 ARG QB . 16978 1
418 . 1 1 42 42 ARG HB3 H 1 2.040 0.006 . 2 . . . . 43 ARG QB . 16978 1
419 . 1 1 42 42 ARG HD2 H 1 3.021 0.003 . 2 . . . . 43 ARG QD . 16978 1
420 . 1 1 42 42 ARG HD3 H 1 3.021 0.003 . 2 . . . . 43 ARG QD . 16978 1
421 . 1 1 42 42 ARG HG2 H 1 1.482 0.011 . 2 . . . . 43 ARG QG . 16978 1
422 . 1 1 42 42 ARG HG3 H 1 1.482 0.011 . 2 . . . . 43 ARG QG . 16978 1
423 . 1 1 42 42 ARG C C 13 174.984 0.000 . 1 . . . . 43 ARG C . 16978 1
424 . 1 1 42 42 ARG CA C 13 57.545 0.023 . 1 . . . . 43 ARG CA . 16978 1
425 . 1 1 42 42 ARG CB C 13 26.398 0.038 . 1 . . . . 43 ARG CB . 16978 1
426 . 1 1 42 42 ARG CD C 13 42.653 0.026 . 1 . . . . 43 ARG CD . 16978 1
427 . 1 1 42 42 ARG CG C 13 27.242 0.037 . 1 . . . . 43 ARG CG . 16978 1
428 . 1 1 42 42 ARG N N 15 113.468 0.009 . 1 . . . . 43 ARG N . 16978 1
429 . 1 1 43 43 ASN H H 1 8.711 0.004 . 1 . . . . 44 ASN H . 16978 1
430 . 1 1 43 43 ASN HA H 1 4.948 0.003 . 1 . . . . 44 ASN HA . 16978 1
431 . 1 1 43 43 ASN HB2 H 1 2.656 0.028 . 2 . . . . 44 ASN HB2 . 16978 1
432 . 1 1 43 43 ASN HB3 H 1 2.928 0.006 . 2 . . . . 44 ASN HB3 . 16978 1
433 . 1 1 43 43 ASN C C 13 174.882 0.000 . 1 . . . . 44 ASN C . 16978 1
434 . 1 1 43 43 ASN CA C 13 52.831 0.013 . 1 . . . . 44 ASN CA . 16978 1
435 . 1 1 43 43 ASN CB C 13 39.312 0.035 . 1 . . . . 44 ASN CB . 16978 1
436 . 1 1 43 43 ASN N N 15 118.190 0.006 . 1 . . . . 44 ASN N . 16978 1
437 . 1 1 44 44 LEU H H 1 8.459 0.003 . 1 . . . . 45 LEU H . 16978 1
438 . 1 1 44 44 LEU HA H 1 4.164 0.003 . 1 . . . . 45 LEU HA . 16978 1
439 . 1 1 44 44 LEU HB2 H 1 1.240 0.005 . 2 . . . . 45 LEU HB2 . 16978 1
440 . 1 1 44 44 LEU HB3 H 1 1.492 0.008 . 2 . . . . 45 LEU HB3 . 16978 1
441 . 1 1 44 44 LEU HD11 H 1 0.869 0.000 . 2 . . . . 45 LEU HD1 . 16978 1
442 . 1 1 44 44 LEU HD12 H 1 0.869 0.000 . 2 . . . . 45 LEU HD1 . 16978 1
443 . 1 1 44 44 LEU HD13 H 1 0.869 0.000 . 2 . . . . 45 LEU HD1 . 16978 1
444 . 1 1 44 44 LEU HD21 H 1 0.901 0.000 . 2 . . . . 45 LEU HD2 . 16978 1
445 . 1 1 44 44 LEU HD22 H 1 0.901 0.000 . 2 . . . . 45 LEU HD2 . 16978 1
446 . 1 1 44 44 LEU HD23 H 1 0.901 0.000 . 2 . . . . 45 LEU HD2 . 16978 1
447 . 1 1 44 44 LEU HG H 1 1.264 0.000 . 1 . . . . 45 LEU HG . 16978 1
448 . 1 1 44 44 LEU C C 13 175.568 0.000 . 1 . . . . 45 LEU C . 16978 1
449 . 1 1 44 44 LEU CA C 13 55.151 0.039 . 1 . . . . 45 LEU CA . 16978 1
450 . 1 1 44 44 LEU CB C 13 43.244 0.014 . 1 . . . . 45 LEU CB . 16978 1
451 . 1 1 44 44 LEU CD1 C 13 23.180 0.035 . 2 . . . . 45 LEU CD1 . 16978 1
452 . 1 1 44 44 LEU CD2 C 13 25.071 0.000 . 2 . . . . 45 LEU CD2 . 16978 1
453 . 1 1 44 44 LEU CG C 13 26.597 0.031 . 1 . . . . 45 LEU CG . 16978 1
454 . 1 1 44 44 LEU N N 15 126.135 0.013 . 1 . . . . 45 LEU N . 16978 1
455 . 1 1 45 45 GLN H H 1 8.445 0.004 . 1 . . . . 46 GLN H . 16978 1
456 . 1 1 45 45 GLN HA H 1 4.672 0.008 . 1 . . . . 46 GLN HA . 16978 1
457 . 1 1 45 45 GLN HB2 H 1 1.823 0.000 . 2 . . . . 46 GLN HB2 . 16978 1
458 . 1 1 45 45 GLN HB3 H 1 2.042 0.004 . 2 . . . . 46 GLN HB3 . 16978 1
459 . 1 1 45 45 GLN HG2 H 1 2.284 0.003 . 2 . . . . 46 GLN QG . 16978 1
460 . 1 1 45 45 GLN HG3 H 1 2.284 0.003 . 2 . . . . 46 GLN QG . 16978 1
461 . 1 1 45 45 GLN C C 13 174.492 0.000 . 1 . . . . 46 GLN C . 16978 1
462 . 1 1 45 45 GLN CA C 13 53.958 0.040 . 1 . . . . 46 GLN CA . 16978 1
463 . 1 1 45 45 GLN CB C 13 32.610 0.018 . 1 . . . . 46 GLN CB . 16978 1
464 . 1 1 45 45 GLN CG C 13 33.110 0.061 . 1 . . . . 46 GLN CG . 16978 1
465 . 1 1 45 45 GLN N N 15 120.694 0.014 . 1 . . . . 46 GLN N . 16978 1
466 . 1 1 46 46 CYS H H 1 9.159 0.004 . 2 . . . . 47 CYS H . 16978 1
467 . 1 1 46 46 CYS HA H 1 4.813 0.004 . 2 . . . . 47 CYS HA . 16978 1
468 . 1 1 46 46 CYS HB2 H 1 1.663 0.002 . 2 . . . . 47 CYS HB2 . 16978 1
469 . 1 1 46 46 CYS HB3 H 1 2.493 0.004 . 2 . . . . 47 CYS HB3 . 16978 1
470 . 1 1 46 46 CYS C C 13 172.031 0.000 . 2 . . . . 47 CYS C . 16978 1
471 . 1 1 46 46 CYS CA C 13 55.054 0.026 . 2 . . . . 47 CYS CA . 16978 1
472 . 1 1 46 46 CYS CB C 13 38.417 0.013 . 2 . . . . 47 CYS CB . 16978 1
473 . 1 1 46 46 CYS N N 15 122.011 0.007 . 2 . . . . 47 CYS N . 16978 1
474 . 1 1 47 47 ILE H H 1 8.716 0.004 . 1 . . . . 48 ILE H . 16978 1
475 . 1 1 47 47 ILE HA H 1 4.357 0.002 . 1 . . . . 48 ILE HA . 16978 1
476 . 1 1 47 47 ILE HB H 1 2.014 0.002 . 1 . . . . 48 ILE HB . 16978 1
477 . 1 1 47 47 ILE HD11 H 1 0.684 0.000 . 1 . . . . 48 ILE HD1 . 16978 1
478 . 1 1 47 47 ILE HD12 H 1 0.684 0.000 . 1 . . . . 48 ILE HD1 . 16978 1
479 . 1 1 47 47 ILE HD13 H 1 0.684 0.000 . 1 . . . . 48 ILE HD1 . 16978 1
480 . 1 1 47 47 ILE HG12 H 1 1.055 0.001 . 2 . . . . 48 ILE HG12 . 16978 1
481 . 1 1 47 47 ILE HG13 H 1 1.539 0.002 . 2 . . . . 48 ILE HG13 . 16978 1
482 . 1 1 47 47 ILE HG21 H 1 0.716 0.001 . 1 . . . . 48 ILE HG2 . 16978 1
483 . 1 1 47 47 ILE HG22 H 1 0.716 0.001 . 1 . . . . 48 ILE HG2 . 16978 1
484 . 1 1 47 47 ILE HG23 H 1 0.716 0.001 . 1 . . . . 48 ILE HG2 . 16978 1
485 . 1 1 47 47 ILE C C 13 174.892 0.000 . 1 . . . . 48 ILE C . 16978 1
486 . 1 1 47 47 ILE CA C 13 60.429 0.022 . 1 . . . . 48 ILE CA . 16978 1
487 . 1 1 47 47 ILE CB C 13 39.126 0.012 . 1 . . . . 48 ILE CB . 16978 1
488 . 1 1 47 47 ILE CD1 C 13 12.724 0.025 . 1 . . . . 48 ILE CD1 . 16978 1
489 . 1 1 47 47 ILE CG1 C 13 28.095 0.002 . 1 . . . . 48 ILE CG1 . 16978 1
490 . 1 1 47 47 ILE CG2 C 13 18.099 0.019 . 1 . . . . 48 ILE CG2 . 16978 1
491 . 1 1 47 47 ILE N N 15 129.476 0.010 . 1 . . . . 48 ILE N . 16978 1
492 . 1 1 48 48 CYS H H 1 8.411 0.005 . 2 . . . . 49 CYS H . 16978 1
493 . 1 1 48 48 CYS HA H 1 5.368 0.003 . 2 . . . . 49 CYS HA . 16978 1
494 . 1 1 48 48 CYS HB2 H 1 2.624 0.007 . 2 . . . . 49 CYS QB . 16978 1
495 . 1 1 48 48 CYS HB3 H 1 2.624 0.007 . 2 . . . . 49 CYS QB . 16978 1
496 . 1 1 48 48 CYS C C 13 173.114 0.000 . 2 . . . . 49 CYS C . 16978 1
497 . 1 1 48 48 CYS CA C 13 51.543 0.011 . 2 . . . . 49 CYS CA . 16978 1
498 . 1 1 48 48 CYS CB C 13 36.978 0.016 . 2 . . . . 49 CYS CB . 16978 1
499 . 1 1 48 48 CYS N N 15 124.277 0.046 . 2 . . . . 49 CYS N . 16978 1
500 . 1 1 49 49 ASP H H 1 8.629 0.004 . 1 . . . . 50 ASP H . 16978 1
501 . 1 1 49 49 ASP HA H 1 5.086 0.002 . 1 . . . . 50 ASP HA . 16978 1
502 . 1 1 49 49 ASP HB2 H 1 2.510 0.005 . 2 . . . . 50 ASP QB . 16978 1
503 . 1 1 49 49 ASP HB3 H 1 2.510 0.005 . 2 . . . . 50 ASP QB . 16978 1
504 . 1 1 49 49 ASP C C 13 174.298 0.000 . 1 . . . . 50 ASP C . 16978 1
505 . 1 1 49 49 ASP CA C 13 53.462 0.034 . 1 . . . . 50 ASP CA . 16978 1
506 . 1 1 49 49 ASP CB C 13 42.077 0.036 . 1 . . . . 50 ASP CB . 16978 1
507 . 1 1 49 49 ASP N N 15 122.173 0.091 . 1 . . . . 50 ASP N . 16978 1
508 . 1 1 50 50 TYR H H 1 9.137 0.003 . 1 . . . . 51 TYR H . 16978 1
509 . 1 1 50 50 TYR HA H 1 4.715 0.009 . 1 . . . . 51 TYR HA . 16978 1
510 . 1 1 50 50 TYR HB2 H 1 2.922 0.003 . 2 . . . . 51 TYR HB2 . 16978 1
511 . 1 1 50 50 TYR HB3 H 1 3.095 0.002 . 2 . . . . 51 TYR HB3 . 16978 1
512 . 1 1 50 50 TYR C C 13 175.913 0.000 . 1 . . . . 51 TYR C . 16978 1
513 . 1 1 50 50 TYR CA C 13 57.693 0.017 . 1 . . . . 51 TYR CA . 16978 1
514 . 1 1 50 50 TYR CB C 13 39.246 0.012 . 1 . . . . 51 TYR CB . 16978 1
515 . 1 1 50 50 TYR N N 15 123.847 0.027 . 1 . . . . 51 TYR N . 16978 1
516 . 1 1 51 51 CYS H H 1 8.631 0.006 . 2 . . . . 52 CYS H . 16978 1
517 . 1 1 51 51 CYS HA H 1 5.157 0.002 . 2 . . . . 52 CYS HA . 16978 1
518 . 1 1 51 51 CYS HB2 H 1 2.846 0.002 . 2 . . . . 52 CYS HB2 . 16978 1
519 . 1 1 51 51 CYS HB3 H 1 2.953 0.004 . 2 . . . . 52 CYS HB3 . 16978 1
520 . 1 1 51 51 CYS C C 13 173.346 0.000 . 2 . . . . 52 CYS C . 16978 1
521 . 1 1 51 51 CYS CA C 13 55.359 0.014 . 2 . . . . 52 CYS CA . 16978 1
522 . 1 1 51 51 CYS CB C 13 46.311 0.016 . 2 . . . . 52 CYS CB . 16978 1
523 . 1 1 51 51 CYS N N 15 122.563 0.022 . 2 . . . . 52 CYS N . 16978 1
524 . 1 1 52 52 GLU H H 1 8.267 0.005 . 1 . . . . 53 GLU H . 16978 1
525 . 1 1 52 52 GLU HA H 1 4.300 0.005 . 1 . . . . 53 GLU HA . 16978 1
526 . 1 1 52 52 GLU HB2 H 1 1.886 0.003 . 2 . . . . 53 GLU HB2 . 16978 1
527 . 1 1 52 52 GLU HB3 H 1 2.046 0.005 . 2 . . . . 53 GLU HB3 . 16978 1
528 . 1 1 52 52 GLU HG2 H 1 2.219 0.000 . 2 . . . . 53 GLU HG2 . 16978 1
529 . 1 1 52 52 GLU HG3 H 1 2.252 0.000 . 2 . . . . 53 GLU HG3 . 16978 1
530 . 1 1 52 52 GLU C C 13 174.739 0.000 . 1 . . . . 53 GLU C . 16978 1
531 . 1 1 52 52 GLU CA C 13 56.371 0.026 . 1 . . . . 53 GLU CA . 16978 1
532 . 1 1 52 52 GLU CB C 13 30.892 0.015 . 1 . . . . 53 GLU CB . 16978 1
533 . 1 1 52 52 GLU CG C 13 36.058 0.006 . 1 . . . . 53 GLU CG . 16978 1
534 . 1 1 52 52 GLU N N 15 122.340 0.015 . 1 . . . . 53 GLU N . 16978 1
535 . 1 1 53 53 TYR H H 1 7.765 0.004 . 1 . . . . 54 TYR H . 16978 1
536 . 1 1 53 53 TYR HA H 1 4.367 0.002 . 1 . . . . 54 TYR HA . 16978 1
537 . 1 1 53 53 TYR CA C 13 59.242 0.024 . 1 . . . . 54 TYR CA . 16978 1
538 . 1 1 53 53 TYR CB C 13 39.551 0.000 . 1 . . . . 54 TYR CB . 16978 1
539 . 1 1 53 53 TYR N N 15 125.403 0.031 . 1 . . . . 54 TYR N . 16978 1
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