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 15283
_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
;
For most resonances the errors in the chemical shifts were derived based upon
variations observed in multiple data sets. For those resonances, where the
chemical shift was obtained from a single data set, the error was obtained as
the peak width at half height divided by the signal to noise ratio.
;
_Assigned_chem_shift_list.Details
;
The "1 MET N" is an N-terminal (i.e., NH3+) group, and the "LYZ NZ" corresponds
to NH3+ group too.
;
_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 CC (DARR mixing)' . . . 15283 1
2 '2D N(CA)CX' . . . 15283 1
3 '2D N(CO)CX' . . . 15283 1
4 '3D NCACX' . . . 15283 1
5 '3D NCOCX' . . . 15283 1
6 '3D CONCA' . . . 15283 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 MET C C 13 170.738 0.03 . 1 . . . . 1 M CO . 15283 1
2 . 1 1 1 1 MET CA C 13 54.939 0.07 . 1 . . . . 1 M CA . 15283 1
3 . 1 1 1 1 MET CB C 13 33.517 0.04 . 1 . . . . 1 M CB . 15283 1
4 . 1 1 1 1 MET CE C 13 15.949 0.04 . 1 . . . . 1 M CE . 15283 1
5 . 1 1 1 1 MET CG C 13 30.363 0.04 . 1 . . . . 1 M CG . 15283 1
6 . 1 1 1 1 MET N N 15 38.953 0.08 . 1 . . . . 1 M N . 15283 1
7 . 1 1 2 2 GLN C C 13 174.788 0.10 . 1 . . . . 2 Q CO . 15283 1
8 . 1 1 2 2 GLN CA C 13 54.712 0.11 . 1 . . . . 2 Q CA . 15283 1
9 . 1 1 2 2 GLN CB C 13 31.174 0.11 . 1 . . . . 2 Q CB . 15283 1
10 . 1 1 2 2 GLN CD C 13 178.854 0.04 . 1 . . . . 2 Q CD . 15283 1
11 . 1 1 2 2 GLN CG C 13 34.519 0.15 . 1 . . . . 2 Q CG . 15283 1
12 . 1 1 2 2 GLN N N 15 124.292 0.23 . 1 . . . . 2 Q N . 15283 1
13 . 1 1 2 2 GLN NE2 N 15 113.368 0.05 . 1 . . . . 2 Q NE . 15283 1
14 . 1 1 3 3 TYR C C 13 175.058 0.09 . 1 . . . . 3 Y CO . 15283 1
15 . 1 1 3 3 TYR CA C 13 56.652 0.05 . 1 . . . . 3 Y CA . 15283 1
16 . 1 1 3 3 TYR CB C 13 43.226 0.09 . 1 . . . . 3 Y CB . 15283 1
17 . 1 1 3 3 TYR CD1 C 13 133.291 0.13 . 3 . . . . 3 Y CD . 15283 1
18 . 1 1 3 3 TYR CD2 C 13 133.291 0.13 . 3 . . . . 3 Y CD . 15283 1
19 . 1 1 3 3 TYR CE1 C 13 118.437 0.10 . 3 . . . . 3 Y CE . 15283 1
20 . 1 1 3 3 TYR CE2 C 13 118.437 0.10 . 3 . . . . 3 Y CE . 15283 1
21 . 1 1 3 3 TYR CG C 13 129.713 0.48 . 1 . . . . 3 Y CG . 15283 1
22 . 1 1 3 3 TYR CZ C 13 157.954 0.09 . 1 . . . . 3 Y CZ . 15283 1
23 . 1 1 3 3 TYR N N 15 120.438 0.07 . 1 . . . . 3 Y N . 15283 1
24 . 1 1 4 4 LYS C C 13 172.857 0.11 . 1 . . . . 4 K CO . 15283 1
25 . 1 1 4 4 LYS CA C 13 54.904 0.05 . 1 . . . . 4 K CA . 15283 1
26 . 1 1 4 4 LYS CB C 13 35.753 0.01 . 1 . . . . 4 K CB . 15283 1
27 . 1 1 4 4 LYS CD C 13 28.730 0.05 . 1 . . . . 4 K CD . 15283 1
28 . 1 1 4 4 LYS CE C 13 41.951 0.01 . 1 . . . . 4 K CE . 15283 1
29 . 1 1 4 4 LYS CG C 13 25.499 0.05 . 1 . . . . 4 K CG . 15283 1
30 . 1 1 4 4 LYS N N 15 123.878 0.08 . 1 . . . . 4 K N . 15283 1
31 . 1 1 4 4 LYS NZ N 15 32.651 0.03 . 1 . . . . 4 K NZ . 15283 1
32 . 1 1 5 5 LEU C C 13 174.226 0.03 . 1 . . . . 5 L CO . 15283 1
33 . 1 1 5 5 LEU CA C 13 52.709 0.08 . 1 . . . . 5 L CA . 15283 1
34 . 1 1 5 5 LEU CB C 13 42.464 0.06 . 1 . . . . 5 L CB . 15283 1
35 . 1 1 5 5 LEU CD1 C 13 25.159 0.01 . 2 . . . . 5 L CD1 . 15283 1
36 . 1 1 5 5 LEU CD2 C 13 24.753 0.04 . 2 . . . . 5 L CD2 . 15283 1
37 . 1 1 5 5 LEU CG C 13 26.699 0.07 . 1 . . . . 5 L CG . 15283 1
38 . 1 1 5 5 LEU N N 15 126.781 0.05 . 1 . . . . 5 L N . 15283 1
39 . 1 1 6 6 VAL C C 13 174.551 0.07 . 1 . . . . 6 V CO . 15283 1
40 . 1 1 6 6 VAL CA C 13 61.465 0.03 . 1 . . . . 6 V CA . 15283 1
41 . 1 1 6 6 VAL CB C 13 32.316 0.07 . 1 . . . . 6 V CB . 15283 1
42 . 1 1 6 6 VAL CG1 C 13 21.214 0.04 . 2 . . . . 6 V CG1 . 15283 1
43 . 1 1 6 6 VAL CG2 C 13 20.810 0.03 . 2 . . . . 6 V CG2 . 15283 1
44 . 1 1 6 6 VAL N N 15 127.520 0.04 . 1 . . . . 6 V N . 15283 1
45 . 1 1 7 7 ILE C C 13 174.335 0.09 . 1 . . . . 7 I CO . 15283 1
46 . 1 1 7 7 ILE CA C 13 59.814 0.05 . 1 . . . . 7 I CA . 15283 1
47 . 1 1 7 7 ILE CB C 13 40.370 0.17 . 1 . . . . 7 I CB . 15283 1
48 . 1 1 7 7 ILE CD1 C 13 15.436 0.02 . 1 . . . . 7 I CD . 15283 1
49 . 1 1 7 7 ILE CG1 C 13 28.161 0.05 . 1 . . . . 7 I CG1 . 15283 1
50 . 1 1 7 7 ILE CG2 C 13 18.515 0.06 . 1 . . . . 7 I CG2 . 15283 1
51 . 1 1 7 7 ILE N N 15 125.912 0.06 . 1 . . . . 7 I N . 15283 1
52 . 1 1 8 8 ASN C C 13 175.624 0.13 . 1 . . . . 8 N CO . 15283 1
53 . 1 1 8 8 ASN CA C 13 50.309 0.04 . 1 . . . . 8 N CA . 15283 1
54 . 1 1 8 8 ASN CB C 13 38.286 0.07 . 1 . . . . 8 N CB . 15283 1
55 . 1 1 8 8 ASN CG C 13 176.385 0.04 . 1 . . . . 8 N CG . 15283 1
56 . 1 1 8 8 ASN N N 15 127.348 0.07 . 1 . . . . 8 N N . 15283 1
57 . 1 1 8 8 ASN ND2 N 15 111.757 0.08 . 1 . . . . 8 N ND . 15283 1
58 . 1 1 9 9 GLY C C 13 173.159 0.10 . 1 . . . . 9 G CO . 15283 1
59 . 1 1 9 9 GLY CA C 13 43.762 0.03 . 1 . . . . 9 G CA . 15283 1
60 . 1 1 9 9 GLY N N 15 110.474 0.05 . 1 . . . . 9 G N . 15283 1
61 . 1 1 10 10 LYS C C 13 178.948 0.07 . 1 . . . . 10 K CO . 15283 1
62 . 1 1 10 10 LYS CA C 13 58.688 0.04 . 1 . . . . 10 K CA . 15283 1
63 . 1 1 10 10 LYS CB C 13 32.069 0.02 . 1 . . . . 10 K CB . 15283 1
64 . 1 1 10 10 LYS CD C 13 28.547 0.08 . 1 . . . . 10 K CD . 15283 1
65 . 1 1 10 10 LYS CE C 13 43.847 0.07 . 1 . . . . 10 K CE . 15283 1
66 . 1 1 10 10 LYS CG C 13 24.875 0.11 . 1 . . . . 10 K CG . 15283 1
67 . 1 1 10 10 LYS N N 15 119.420 0.08 . 1 . . . . 10 K N . 15283 1
68 . 1 1 10 10 LYS NZ N 15 32.825 0.05 . 1 . . . . 10 K NZ . 15283 1
69 . 1 1 11 11 THR C C 13 172.644 0.06 . 1 . . . . 11 T CO . 15283 1
70 . 1 1 11 11 THR CA C 13 61.636 0.04 . 1 . . . . 11 T CA . 15283 1
71 . 1 1 11 11 THR CB C 13 69.096 0.06 . 1 . . . . 11 T CB . 15283 1
72 . 1 1 11 11 THR CG2 C 13 21.572 0.03 . 1 . . . . 11 T CG . 15283 1
73 . 1 1 11 11 THR N N 15 106.292 0.05 . 1 . . . . 11 T N . 15283 1
74 . 1 1 12 12 LEU C C 13 173.983 0.08 . 1 . . . . 12 L CO . 15283 1
75 . 1 1 12 12 LEU CA C 13 54.105 0.13 . 1 . . . . 12 L CA . 15283 1
76 . 1 1 12 12 LEU CB C 13 42.245 0.04 . 1 . . . . 12 L CB . 15283 1
77 . 1 1 12 12 LEU CD1 C 13 24.864 0.05 . 2 . . . . 12 L CD1 . 15283 1
78 . 1 1 12 12 LEU CD2 C 13 23.954 0.03 . 2 . . . . 12 L CD2 . 15283 1
79 . 1 1 12 12 LEU CG C 13 27.914 0.04 . 1 . . . . 12 L CG . 15283 1
80 . 1 1 12 12 LEU N N 15 128.267 0.05 . 1 . . . . 12 L N . 15283 1
81 . 1 1 13 13 LYS C C 13 175.625 0.09 . 1 . . . . 13 K CO . 15283 1
82 . 1 1 13 13 LYS CA C 13 53.554 0.06 . 1 . . . . 13 K CA . 15283 1
83 . 1 1 13 13 LYS CB C 13 39.030 0.05 . 1 . . . . 13 K CB . 15283 1
84 . 1 1 13 13 LYS CD C 13 30.152 0.05 . 1 . . . . 13 K CD . 15283 1
85 . 1 1 13 13 LYS CE C 13 42.565 0.03 . 1 . . . . 13 K CE . 15283 1
86 . 1 1 13 13 LYS CG C 13 26.665 0.06 . 1 . . . . 13 K CG . 15283 1
87 . 1 1 13 13 LYS N N 15 121.625 0.10 . 1 . . . . 13 K N . 15283 1
88 . 1 1 13 13 LYS NZ N 15 30.706 0.04 . 1 . . . . 13 K NZ . 15283 1
89 . 1 1 14 14 GLY C C 13 170.784 0.10 . 1 . . . . 14 G CO . 15283 1
90 . 1 1 14 14 GLY CA C 13 44.266 0.07 . 1 . . . . 14 G CA . 15283 1
91 . 1 1 14 14 GLY N N 15 105.217 0.04 . 1 . . . . 14 G N . 15283 1
92 . 1 1 15 15 GLU C C 13 173.305 0.09 . 1 . . . . 15 E CO . 15283 1
93 . 1 1 15 15 GLU CA C 13 53.364 0.03 . 1 . . . . 15 E CA . 15283 1
94 . 1 1 15 15 GLU CB C 13 34.990 0.07 . 1 . . . . 15 E CB . 15283 1
95 . 1 1 15 15 GLU CD C 13 182.600 0.05 . 1 . . . . 15 E CD . 15283 1
96 . 1 1 15 15 GLU CG C 13 36.392 0.11 . 1 . . . . 15 E CG . 15283 1
97 . 1 1 15 15 GLU N N 15 121.306 0.04 . 1 . . . . 15 E N . 15283 1
98 . 1 1 16 16 THR C C 13 172.322 0.07 . 1 . . . . 16 T CO . 15283 1
99 . 1 1 16 16 THR CA C 13 60.144 0.10 . 1 . . . . 16 T CA . 15283 1
100 . 1 1 16 16 THR CB C 13 69.625 0.05 . 1 . . . . 16 T CB . 15283 1
101 . 1 1 16 16 THR CG2 C 13 19.299 0.02 . 1 . . . . 16 T CG . 15283 1
102 . 1 1 16 16 THR N N 15 113.082 0.04 . 1 . . . . 16 T N . 15283 1
103 . 1 1 17 17 THR C C 13 172.111 0.06 . 1 . . . . 17 T CO . 15283 1
104 . 1 1 17 17 THR CA C 13 58.747 0.05 . 1 . . . . 17 T CA . 15283 1
105 . 1 1 17 17 THR CB C 13 71.602 0.05 . 1 . . . . 17 T CB . 15283 1
106 . 1 1 17 17 THR CG2 C 13 20.198 0.04 . 1 . . . . 17 T CG . 15283 1
107 . 1 1 17 17 THR N N 15 113.552 0.06 . 1 . . . . 17 T N . 15283 1
108 . 1 1 18 18 THR C C 13 171.310 0.04 . 1 . . . . 18 T CO . 15283 1
109 . 1 1 18 18 THR CA C 13 61.191 0.06 . 1 . . . . 18 T CA . 15283 1
110 . 1 1 18 18 THR CB C 13 69.962 0.06 . 1 . . . . 18 T CB . 15283 1
111 . 1 1 18 18 THR CG2 C 13 18.518 0.06 . 1 . . . . 18 T CG . 15283 1
112 . 1 1 18 18 THR N N 15 114.977 0.05 . 1 . . . . 18 T N . 15283 1
113 . 1 1 19 19 LYS C C 13 175.775 0.14 . 1 . . . . 19 K CO . 15283 1
114 . 1 1 19 19 LYS CA C 13 55.202 0.08 . 1 . . . . 19 K CA . 15283 1
115 . 1 1 19 19 LYS CB C 13 33.468 0.07 . 1 . . . . 19 K CB . 15283 1
116 . 1 1 19 19 LYS CD C 13 29.280 0.02 . 1 . . . . 19 K CD . 15283 1
117 . 1 1 19 19 LYS CE C 13 41.920 0.01 . 1 . . . . 19 K CE . 15283 1
118 . 1 1 19 19 LYS CG C 13 25.554 0.07 . 1 . . . . 19 K CG . 15283 1
119 . 1 1 19 19 LYS N N 15 125.889 0.08 . 1 . . . . 19 K N . 15283 1
120 . 1 1 19 19 LYS NZ N 15 32.952 0.13 . 1 . . . . 19 K NZ . 15283 1
121 . 1 1 20 20 ALA C C 13 177.199 0.05 . 1 . . . . 20 A CO . 15283 1
122 . 1 1 20 20 ALA CA C 13 50.788 0.05 . 1 . . . . 20 A CA . 15283 1
123 . 1 1 20 20 ALA CB C 13 23.114 0.03 . 1 . . . . 20 A CB . 15283 1
124 . 1 1 20 20 ALA N N 15 124.468 0.08 . 1 . . . . 20 A N . 15283 1
125 . 1 1 21 21 VAL C C 13 174.404 0.06 . 1 . . . . 21 V CO . 15283 1
126 . 1 1 21 21 VAL CA C 13 62.873 0.06 . 1 . . . . 21 V CA . 15283 1
127 . 1 1 21 21 VAL CB C 13 32.001 0.05 . 1 . . . . 21 V CB . 15283 1
128 . 1 1 21 21 VAL CG1 C 13 23.188 0.06 . 2 . . . . 21 V CG1 . 15283 1
129 . 1 1 21 21 VAL CG2 C 13 21.432 0.08 . 2 . . . . 21 V CG2 . 15283 1
130 . 1 1 21 21 VAL N N 15 116.242 0.12 . 1 . . . . 21 V N . 15283 1
131 . 1 1 22 22 ASP C C 13 174.608 0.09 . 1 . . . . 22 D CO . 15283 1
132 . 1 1 22 22 ASP CA C 13 52.139 0.07 . 1 . . . . 22 D CA . 15283 1
133 . 1 1 22 22 ASP CB C 13 42.187 0.04 . 1 . . . . 22 D CB . 15283 1
134 . 1 1 22 22 ASP CG C 13 179.344 0.05 . 1 . . . . 22 D CG . 15283 1
135 . 1 1 22 22 ASP N N 15 114.718 0.04 . 1 . . . . 22 D N . 15283 1
136 . 1 1 23 23 ALA C C 13 179.249 0.11 . 1 . . . . 23 A CO . 15283 1
137 . 1 1 23 23 ALA CA C 13 54.312 0.09 . 1 . . . . 23 A CA . 15283 1
138 . 1 1 23 23 ALA CB C 13 17.776 0.06 . 1 . . . . 23 A CB . 15283 1
139 . 1 1 23 23 ALA N N 15 121.172 0.06 . 1 . . . . 23 A N . 15283 1
140 . 1 1 24 24 GLU C C 13 178.617 0.09 . 1 . . . . 24 E CO . 15283 1
141 . 1 1 24 24 GLU CA C 13 58.924 0.06 . 1 . . . . 24 E CA . 15283 1
142 . 1 1 24 24 GLU CB C 13 28.820 0.02 . 1 . . . . 24 E CB . 15283 1
143 . 1 1 24 24 GLU CD C 13 182.762 0.01 . 1 . . . . 24 E CD . 15283 1
144 . 1 1 24 24 GLU CG C 13 36.100 0.04 . 1 . . . . 24 E CG . 15283 1
145 . 1 1 24 24 GLU N N 15 118.969 0.04 . 1 . . . . 24 E N . 15283 1
146 . 1 1 25 25 THR C C 13 176.560 0.06 . 1 . . . . 25 T CO . 15283 1
147 . 1 1 25 25 THR CA C 13 66.758 0.08 . 1 . . . . 25 T CA . 15283 1
148 . 1 1 25 25 THR CB C 13 67.729 0.03 . 1 . . . . 25 T CB . 15283 1
149 . 1 1 25 25 THR CG2 C 13 21.765 0.05 . 1 . . . . 25 T CG . 15283 1
150 . 1 1 25 25 THR N N 15 117.104 0.04 . 1 . . . . 25 T N . 15283 1
151 . 1 1 26 26 ALA C C 13 176.746 0.19 . 1 . . . . 26 A CO . 15283 1
152 . 1 1 26 26 ALA CA C 13 54.530 0.09 . 1 . . . . 26 A CA . 15283 1
153 . 1 1 26 26 ALA CB C 13 17.221 0.04 . 1 . . . . 26 A CB . 15283 1
154 . 1 1 26 26 ALA N N 15 124.120 0.07 . 1 . . . . 26 A N . 15283 1
155 . 1 1 27 27 GLU C C 13 177.691 0.12 . 1 . . . . 27 E CO . 15283 1
156 . 1 1 27 27 GLU CA C 13 59.201 0.06 . 1 . . . . 27 E CA . 15283 1
157 . 1 1 27 27 GLU CB C 13 28.831 0.03 . 1 . . . . 27 E CB . 15283 1
158 . 1 1 27 27 GLU CD C 13 181.127 0.11 . 1 . . . . 27 E CD . 15283 1
159 . 1 1 27 27 GLU CG C 13 35.626 0.03 . 1 . . . . 27 E CG . 15283 1
160 . 1 1 27 27 GLU N N 15 117.137 0.06 . 1 . . . . 27 E N . 15283 1
161 . 1 1 28 28 LYS C C 13 178.909 0.11 . 1 . . . . 28 K CO . 15283 1
162 . 1 1 28 28 LYS CA C 13 59.298 0.04 . 1 . . . . 28 K CA . 15283 1
163 . 1 1 28 28 LYS CB C 13 32.131 0.05 . 1 . . . . 28 K CB . 15283 1
164 . 1 1 28 28 LYS CD C 13 28.980 0.08 . 1 . . . . 28 K CD . 15283 1
165 . 1 1 28 28 LYS CE C 13 41.943 0.01 . 1 . . . . 28 K CE . 15283 1
166 . 1 1 28 28 LYS CG C 13 25.334 0.03 . 1 . . . . 28 K CG . 15283 1
167 . 1 1 28 28 LYS N N 15 117.079 0.07 . 1 . . . . 28 K N . 15283 1
168 . 1 1 28 28 LYS NZ N 15 32.535 0.01 . 1 . . . . 28 K NZ . 15283 1
169 . 1 1 29 29 ALA C C 13 180.939 0.08 . 1 . . . . 29 A CO . 15283 1
170 . 1 1 29 29 ALA CA C 13 54.500 0.05 . 1 . . . . 29 A CA . 15283 1
171 . 1 1 29 29 ALA CB C 13 17.651 0.03 . 1 . . . . 29 A CB . 15283 1
172 . 1 1 29 29 ALA N N 15 121.433 0.07 . 1 . . . . 29 A N . 15283 1
173 . 1 1 30 30 PHE C C 13 178.440 0.03 . 1 . . . . 30 F CO . 15283 1
174 . 1 1 30 30 PHE CA C 13 57.041 0.07 . 1 . . . . 30 F CA . 15283 1
175 . 1 1 30 30 PHE CB C 13 37.241 0.03 . 1 . . . . 30 F CB . 15283 1
176 . 1 1 30 30 PHE CD1 C 13 130.361 0.20 . 3 . . . . 30 F CD . 15283 1
177 . 1 1 30 30 PHE CD2 C 13 130.361 0.20 . 3 . . . . 30 F CD . 15283 1
178 . 1 1 30 30 PHE CE1 C 13 130.201 0.22 . 3 . . . . 30 F CE . 15283 1
179 . 1 1 30 30 PHE CE2 C 13 130.201 0.22 . 3 . . . . 30 F CE . 15283 1
180 . 1 1 30 30 PHE CG C 13 137.652 0.34 . 1 . . . . 30 F CG . 15283 1
181 . 1 1 30 30 PHE N N 15 117.677 0.05 . 1 . . . . 30 F N . 15283 1
182 . 1 1 31 31 LYS C C 13 180.032 0.08 . 1 . . . . 31 K CO . 15283 1
183 . 1 1 31 31 LYS CA C 13 59.956 0.03 . 1 . . . . 31 K CA . 15283 1
184 . 1 1 31 31 LYS CB C 13 31.675 0.03 . 1 . . . . 31 K CB . 15283 1
185 . 1 1 31 31 LYS CD C 13 29.088 0.04 . 1 . . . . 31 K CD . 15283 1
186 . 1 1 31 31 LYS CE C 13 40.765 0.05 . 1 . . . . 31 K CE . 15283 1
187 . 1 1 31 31 LYS CG C 13 26.528 0.07 . 1 . . . . 31 K CG . 15283 1
188 . 1 1 31 31 LYS N N 15 121.489 0.06 . 1 . . . . 31 K N . 15283 1
189 . 1 1 31 31 LYS NZ N 15 31.870 0.03 . 1 . . . . 31 K NZ . 15283 1
190 . 1 1 32 32 GLN C C 13 176.876 0.15 . 1 . . . . 32 Q CO . 15283 1
191 . 1 1 32 32 GLN CA C 13 59.140 0.08 . 1 . . . . 32 Q CA . 15283 1
192 . 1 1 32 32 GLN CB C 13 27.942 0.05 . 1 . . . . 32 Q CB . 15283 1
193 . 1 1 32 32 GLN CD C 13 179.970 0.08 . 1 . . . . 32 Q CD . 15283 1
194 . 1 1 32 32 GLN CG C 13 33.621 0.16 . 1 . . . . 32 Q CG . 15283 1
195 . 1 1 32 32 GLN N N 15 120.756 0.06 . 1 . . . . 32 Q N . 15283 1
196 . 1 1 32 32 GLN NE2 N 15 112.200 0.07 . 1 . . . . 32 Q NE . 15283 1
197 . 1 1 33 33 TYR C C 13 178.376 0.10 . 1 . . . . 33 Y CO . 15283 1
198 . 1 1 33 33 TYR CA C 13 61.234 0.07 . 1 . . . . 33 Y CA . 15283 1
199 . 1 1 33 33 TYR CB C 13 37.064 0.06 . 1 . . . . 33 Y CB . 15283 1
200 . 1 1 33 33 TYR CD1 C 13 132.729 0.14 . 3 . . . . 33 Y CD . 15283 1
201 . 1 1 33 33 TYR CD2 C 13 132.729 0.14 . 3 . . . . 33 Y CD . 15283 1
202 . 1 1 33 33 TYR CE1 C 13 118.661 0.08 . 3 . . . . 33 Y CE . 15283 1
203 . 1 1 33 33 TYR CE2 C 13 118.661 0.08 . 3 . . . . 33 Y CE . 15283 1
204 . 1 1 33 33 TYR CG C 13 130.064 0.17 . 1 . . . . 33 Y CG . 15283 1
205 . 1 1 33 33 TYR CZ C 13 158.356 0.14 . 1 . . . . 33 Y CZ . 15283 1
206 . 1 1 33 33 TYR N N 15 120.314 0.04 . 1 . . . . 33 Y N . 15283 1
207 . 1 1 34 34 ALA C C 13 178.900 0.15 . 1 . . . . 34 A CO . 15283 1
208 . 1 1 34 34 ALA CA C 13 55.625 0.04 . 1 . . . . 34 A CA . 15283 1
209 . 1 1 34 34 ALA CB C 13 17.717 0.03 . 1 . . . . 34 A CB . 15283 1
210 . 1 1 34 34 ALA N N 15 121.579 0.06 . 1 . . . . 34 A N . 15283 1
211 . 1 1 35 35 ASN C C 13 178.310 0.04 . 1 . . . . 35 N CO . 15283 1
212 . 1 1 35 35 ASN CA C 13 57.221 0.06 . 1 . . . . 35 N CA . 15283 1
213 . 1 1 35 35 ASN CB C 13 39.891 0.08 . 1 . . . . 35 N CB . 15283 1
214 . 1 1 35 35 ASN CG C 13 176.485 0.03 . 1 . . . . 35 N CG . 15283 1
215 . 1 1 35 35 ASN N N 15 116.263 0.06 . 1 . . . . 35 N N . 15283 1
216 . 1 1 35 35 ASN ND2 N 15 119.100 0.05 . 1 . . . . 35 N ND . 15283 1
217 . 1 1 36 36 ASP C C 13 175.943 0.02 . 1 . . . . 36 D CO . 15283 1
218 . 1 1 36 36 ASP CA C 13 56.340 0.12 . 1 . . . . 36 D CA . 15283 1
219 . 1 1 36 36 ASP CB C 13 39.120 0.13 . 1 . . . . 36 D CB . 15283 1
220 . 1 1 36 36 ASP CG C 13 177.325 0.06 . 1 . . . . 36 D CG . 15283 1
221 . 1 1 36 36 ASP N N 15 118.100 0.06 . 1 . . . . 36 D N . 15283 1
222 . 1 1 37 37 ASN C C 13 174.240 0.11 . 1 . . . . 37 N CO . 15283 1
223 . 1 1 37 37 ASN CA C 13 53.066 0.04 . 1 . . . . 37 N CA . 15283 1
224 . 1 1 37 37 ASN CB C 13 39.953 0.08 . 1 . . . . 37 N CB . 15283 1
225 . 1 1 37 37 ASN CG C 13 177.000 0.05 . 1 . . . . 37 N CG . 15283 1
226 . 1 1 37 37 ASN N N 15 113.732 0.13 . 1 . . . . 37 N N . 15283 1
227 . 1 1 37 37 ASN ND2 N 15 116.575 0.03 . 1 . . . . 37 N ND . 15283 1
228 . 1 1 38 38 GLY C C 13 173.925 0.09 . 1 . . . . 38 G CO . 15283 1
229 . 1 1 38 38 GLY CA C 13 46.785 0.05 . 1 . . . . 38 G CA . 15283 1
230 . 1 1 38 38 GLY N N 15 107.500 0.17 . 1 . . . . 38 G N . 15283 1
231 . 1 1 39 39 VAL C C 13 175.098 0.08 . 1 . . . . 39 V CO . 15283 1
232 . 1 1 39 39 VAL CA C 13 61.476 0.03 . 1 . . . . 39 V CA . 15283 1
233 . 1 1 39 39 VAL CB C 13 31.782 0.05 . 1 . . . . 39 V CB . 15283 1
234 . 1 1 39 39 VAL CG1 C 13 21.963 0.04 . 2 . . . . 39 V CG1 . 15283 1
235 . 1 1 39 39 VAL CG2 C 13 21.132 0.03 . 2 . . . . 39 V CG2 . 15283 1
236 . 1 1 39 39 VAL N N 15 121.661 0.06 . 1 . . . . 39 V N . 15283 1
237 . 1 1 40 40 ASP C C 13 174.450 0.06 . 1 . . . . 40 D CO . 15283 1
238 . 1 1 40 40 ASP CA C 13 52.511 0.03 . 1 . . . . 40 D CA . 15283 1
239 . 1 1 40 40 ASP CB C 13 41.099 0.05 . 1 . . . . 40 D CB . 15283 1
240 . 1 1 40 40 ASP CG C 13 180.322 0.12 . 1 . . . . 40 D CG . 15283 1
241 . 1 1 40 40 ASP N N 15 131.802 0.05 . 1 . . . . 40 D N . 15283 1
242 . 1 1 41 41 GLY C C 13 172.877 0.09 . 1 . . . . 41 G CO . 15283 1
243 . 1 1 41 41 GLY CA C 13 44.451 0.07 . 1 . . . . 41 G CA . 15283 1
244 . 1 1 41 41 GLY N N 15 107.991 0.04 . 1 . . . . 41 G N . 15283 1
245 . 1 1 42 42 VAL C C 13 176.369 0.09 . 1 . . . . 42 V CO . 15283 1
246 . 1 1 42 42 VAL CA C 13 59.310 0.04 . 1 . . . . 42 V CA . 15283 1
247 . 1 1 42 42 VAL CB C 13 33.247 0.04 . 1 . . . . 42 V CB . 15283 1
248 . 1 1 42 42 VAL CG1 C 13 22.361 0.04 . 2 . . . . 42 V CG1 . 15283 1
249 . 1 1 42 42 VAL CG2 C 13 18.843 0.04 . 2 . . . . 42 V CG2 . 15283 1
250 . 1 1 42 42 VAL N N 15 111.505 0.05 . 1 . . . . 42 V N . 15283 1
251 . 1 1 43 43 TRP C C 13 178.400 0.10 . 1 . . . . 43 W CO . 15283 1
252 . 1 1 43 43 TRP CA C 13 57.736 0.04 . 1 . . . . 43 W CA . 15283 1
253 . 1 1 43 43 TRP CB C 13 33.855 0.09 . 1 . . . . 43 W CB . 15283 1
254 . 1 1 43 43 TRP CD1 C 13 126.090 0.01 . 1 . . . . 43 W CD1 . 15283 1
255 . 1 1 43 43 TRP CD2 C 13 129.905 0.11 . 1 . . . . 43 W CD2 . 15283 1
256 . 1 1 43 43 TRP CE2 C 13 138.478 0.12 . 1 . . . . 43 W CE2 . 15283 1
257 . 1 1 43 43 TRP CE3 C 13 119.237 0.07 . 1 . . . . 43 W CE3 . 15283 1
258 . 1 1 43 43 TRP CG C 13 111.983 0.09 . 1 . . . . 43 W CG . 15283 1
259 . 1 1 43 43 TRP CH2 C 13 122.845 0.15 . 1 . . . . 43 W CH2 . 15283 1
260 . 1 1 43 43 TRP CZ2 C 13 114.457 0.02 . 1 . . . . 43 W CZ2 . 15283 1
261 . 1 1 43 43 TRP CZ3 C 13 120.536 0.11 . 1 . . . . 43 W CZ3 . 15283 1
262 . 1 1 43 43 TRP N N 15 122.581 0.06 . 1 . . . . 43 W N . 15283 1
263 . 1 1 43 43 TRP NE1 N 15 130.861 0.08 . 1 . . . . 43 W NE1 . 15283 1
264 . 1 1 44 44 THR C C 13 174.340 0.09 . 1 . . . . 44 T CO . 15283 1
265 . 1 1 44 44 THR CA C 13 60.251 0.03 . 1 . . . . 44 T CA . 15283 1
266 . 1 1 44 44 THR CB C 13 72.720 0.03 . 1 . . . . 44 T CB . 15283 1
267 . 1 1 44 44 THR CG2 C 13 20.771 0.02 . 1 . . . . 44 T CG . 15283 1
268 . 1 1 44 44 THR N N 15 110.883 0.05 . 1 . . . . 44 T N . 15283 1
269 . 1 1 45 45 TYR C C 13 172.422 0.09 . 1 . . . . 45 Y CO . 15283 1
270 . 1 1 45 45 TYR CA C 13 57.691 0.08 . 1 . . . . 45 Y CA . 15283 1
271 . 1 1 45 45 TYR CB C 13 41.935 0.04 . 1 . . . . 45 Y CB . 15283 1
272 . 1 1 45 45 TYR CD1 C 13 132.169 0.12 . 3 . . . . 45 Y CD . 15283 1
273 . 1 1 45 45 TYR CD2 C 13 132.169 0.12 . 3 . . . . 45 Y CD . 15283 1
274 . 1 1 45 45 TYR CE1 C 13 117.285 0.15 . 3 . . . . 45 Y CE . 15283 1
275 . 1 1 45 45 TYR CE2 C 13 117.285 0.15 . 3 . . . . 45 Y CE . 15283 1
276 . 1 1 45 45 TYR CG C 13 128.443 0.13 . 1 . . . . 45 Y CG . 15283 1
277 . 1 1 45 45 TYR CZ C 13 157.317 0.14 . 1 . . . . 45 Y CZ . 15283 1
278 . 1 1 45 45 TYR N N 15 117.001 0.06 . 1 . . . . 45 Y N . 15283 1
279 . 1 1 46 46 ASP C C 13 176.422 0.11 . 1 . . . . 46 D CO . 15283 1
280 . 1 1 46 46 ASP CA C 13 50.787 0.06 . 1 . . . . 46 D CA . 15283 1
281 . 1 1 46 46 ASP CB C 13 42.364 0.06 . 1 . . . . 46 D CB . 15283 1
282 . 1 1 46 46 ASP CG C 13 179.600 0.15 . 1 . . . . 46 D CG . 15283 1
283 . 1 1 46 46 ASP N N 15 126.251 0.09 . 1 . . . . 46 D N . 15283 1
284 . 1 1 47 47 ASP C C 13 177.382 0.09 . 1 . . . . 47 D CO . 15283 1
285 . 1 1 47 47 ASP CA C 13 54.919 0.02 . 1 . . . . 47 D CA . 15283 1
286 . 1 1 47 47 ASP CB C 13 42.736 0.06 . 1 . . . . 47 D CB . 15283 1
287 . 1 1 47 47 ASP CG C 13 179.044 0.04 . 1 . . . . 47 D CG . 15283 1
288 . 1 1 47 47 ASP N N 15 122.994 0.03 . 1 . . . . 47 D N . 15283 1
289 . 1 1 48 48 ALA C C 13 179.128 0.07 . 1 . . . . 48 A CO . 15283 1
290 . 1 1 48 48 ALA CA C 13 53.844 0.03 . 1 . . . . 48 A CA . 15283 1
291 . 1 1 48 48 ALA CB C 13 18.775 0.04 . 1 . . . . 48 A CB . 15283 1
292 . 1 1 48 48 ALA N N 15 118.377 0.05 . 1 . . . . 48 A N . 15283 1
293 . 1 1 49 49 THR C C 13 175.899 0.09 . 1 . . . . 49 T CO . 15283 1
294 . 1 1 49 49 THR CA C 13 59.642 0.05 . 1 . . . . 49 T CA . 15283 1
295 . 1 1 49 49 THR CB C 13 69.833 0.04 . 1 . . . . 49 T CB . 15283 1
296 . 1 1 49 49 THR CG2 C 13 21.242 0.04 . 1 . . . . 49 T CG . 15283 1
297 . 1 1 49 49 THR N N 15 101.505 0.04 . 1 . . . . 49 T N . 15283 1
298 . 1 1 50 50 LYS C C 13 175.094 0.09 . 1 . . . . 50 K CO . 15283 1
299 . 1 1 50 50 LYS CA C 13 55.261 0.05 . 1 . . . . 50 K CA . 15283 1
300 . 1 1 50 50 LYS CB C 13 27.247 0.06 . 1 . . . . 50 K CB . 15283 1
301 . 1 1 50 50 LYS CD C 13 27.480 0.16 . 1 . . . . 50 K CD . 15283 1
302 . 1 1 50 50 LYS CE C 13 43.391 0.17 . 1 . . . . 50 K CE . 15283 1
303 . 1 1 50 50 LYS CG C 13 24.710 0.08 . 1 . . . . 50 K CG . 15283 1
304 . 1 1 50 50 LYS N N 15 119.714 0.04 . 1 . . . . 50 K N . 15283 1
305 . 1 1 50 50 LYS NZ N 15 32.828 0.05 . 1 . . . . 50 K NZ . 15283 1
306 . 1 1 51 51 THR C C 13 174.283 0.13 . 1 . . . . 51 T CO . 15283 1
307 . 1 1 51 51 THR CA C 13 62.106 0.03 . 1 . . . . 51 T CA . 15283 1
308 . 1 1 51 51 THR CB C 13 71.800 0.03 . 1 . . . . 51 T CB . 15283 1
309 . 1 1 51 51 THR CG2 C 13 20.994 0.08 . 1 . . . . 51 T CG . 15283 1
310 . 1 1 51 51 THR N N 15 111.027 0.08 . 1 . . . . 51 T N . 15283 1
311 . 1 1 52 52 PHE C C 13 175.227 0.08 . 1 . . . . 52 F CO . 15283 1
312 . 1 1 52 52 PHE CA C 13 56.568 0.04 . 1 . . . . 52 F CA . 15283 1
313 . 1 1 52 52 PHE CB C 13 42.660 0.17 . 1 . . . . 52 F CB . 15283 1
314 . 1 1 52 52 PHE CD1 C 13 131.915 0.05 . 3 . . . . 52 F CD . 15283 1
315 . 1 1 52 52 PHE CD2 C 13 131.915 0.05 . 3 . . . . 52 F CD . 15283 1
316 . 1 1 52 52 PHE CE1 C 13 130.436 0.18 . 3 . . . . 52 F CE . 15283 1
317 . 1 1 52 52 PHE CE2 C 13 130.436 0.18 . 3 . . . . 52 F CE . 15283 1
318 . 1 1 52 52 PHE CG C 13 139.768 0.06 . 1 . . . . 52 F CG . 15283 1
319 . 1 1 52 52 PHE N N 15 130.427 0.04 . 1 . . . . 52 F N . 15283 1
320 . 1 1 53 53 THR C C 13 172.251 0.06 . 1 . . . . 53 T CO . 15283 1
321 . 1 1 53 53 THR CA C 13 60.406 0.05 . 1 . . . . 53 T CA . 15283 1
322 . 1 1 53 53 THR CB C 13 71.541 0.26 . 1 . . . . 53 T CB . 15283 1
323 . 1 1 53 53 THR CG2 C 13 19.872 0.06 . 1 . . . . 53 T CG . 15283 1
324 . 1 1 53 53 THR N N 15 113.275 0.03 . 1 . . . . 53 T N . 15283 1
325 . 1 1 54 54 VAL C C 13 172.482 0.13 . 1 . . . . 54 V CO . 15283 1
326 . 1 1 54 54 VAL CA C 13 57.669 0.05 . 1 . . . . 54 V CA . 15283 1
327 . 1 1 54 54 VAL CB C 13 32.245 0.07 . 1 . . . . 54 V CB . 15283 1
328 . 1 1 54 54 VAL CG1 C 13 21.499 0.03 . 2 . . . . 54 V CG1 . 15283 1
329 . 1 1 54 54 VAL CG2 C 13 19.746 0.03 . 2 . . . . 54 V CG2 . 15283 1
330 . 1 1 54 54 VAL N N 15 119.607 0.07 . 1 . . . . 54 V N . 15283 1
331 . 1 1 55 55 THR C C 13 173.172 0.05 . 1 . . . . 55 T CO . 15283 1
332 . 1 1 55 55 THR CA C 13 60.656 0.05 . 1 . . . . 55 T CA . 15283 1
333 . 1 1 55 55 THR CB C 13 71.484 0.06 . 1 . . . . 55 T CB . 15283 1
334 . 1 1 55 55 THR CG2 C 13 22.021 0.07 . 1 . . . . 55 T CG . 15283 1
335 . 1 1 55 55 THR N N 15 122.380 0.08 . 1 . . . . 55 T N . 15283 1
336 . 1 1 56 56 GLU C C 13 179.898 0.14 . 1 . . . . 56 E CO . 15283 1
337 . 1 1 56 56 GLU CA C 13 57.173 0.03 . 1 . . . . 56 E CA . 15283 1
338 . 1 1 56 56 GLU CB C 13 33.164 0.04 . 1 . . . . 56 E CB . 15283 1
339 . 1 1 56 56 GLU CD C 13 182.746 0.10 . 1 . . . . 56 E CD . 15283 1
340 . 1 1 56 56 GLU CG C 13 38.434 0.11 . 1 . . . . 56 E CG . 15283 1
341 . 1 1 56 56 GLU N N 15 129.716 0.06 . 1 . . . . 56 E N . 15283 1
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