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 27845
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_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 hNH' . . . 27845 1
2 '3D hCANH' . . . 27845 1
3 '3D hCONH' . . . 27845 1
5 '3D hncaCBCANH' . . . 27845 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 $CcpNmr . . 27845 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 MET C C 13 172.313 0.000 . 1 . . . . . 1 Met C . 27845 1
2 . 1 1 1 1 MET CA C 13 55.663 0.000 . 1 . . . . . 1 Met CA . 27845 1
3 . 1 1 2 2 ASP H H 1 9.937 0.005 . 1 . . . . . 2 Asp H . 27845 1
4 . 1 1 2 2 ASP C C 13 173.711 0.000 . 1 . . . . . 2 Asp C . 27845 1
5 . 1 1 2 2 ASP CA C 13 53.156 0.000 . 1 . . . . . 2 Asp CA . 27845 1
6 . 1 1 2 2 ASP N N 15 127.565 0.045 . 1 . . . . . 2 Asp N . 27845 1
7 . 1 1 3 3 ILE H H 1 8.109 0.012 . 1 . . . . . 3 Ile H . 27845 1
8 . 1 1 3 3 ILE C C 13 174.134 0.000 . 1 . . . . . 3 Ile C . 27845 1
9 . 1 1 3 3 ILE CA C 13 59.352 0.000 . 1 . . . . . 3 Ile CA . 27845 1
10 . 1 1 3 3 ILE CB C 13 39.436 0.000 . 1 . . . . . 3 Ile CB . 27845 1
11 . 1 1 3 3 ILE N N 15 123.109 0.040 . 1 . . . . . 3 Ile N . 27845 1
12 . 1 1 4 4 ASP H H 1 9.589 0.003 . 1 . . . . . 4 Asp H . 27845 1
13 . 1 1 4 4 ASP CA C 13 49.726 0.000 . 1 . . . . . 4 Asp CA . 27845 1
14 . 1 1 4 4 ASP N N 15 131.001 0.060 . 1 . . . . . 4 Asp N . 27845 1
15 . 1 1 5 5 PRO C C 13 176.639 0.000 . 1 . . . . . 5 Pro C . 27845 1
16 . 1 1 5 5 PRO CA C 13 63.362 0.000 . 1 . . . . . 5 Pro CA . 27845 1
17 . 1 1 6 6 TYR H H 1 8.894 0.003 . 1 . . . . . 6 Tyr H . 27845 1
18 . 1 1 6 6 TYR C C 13 177.892 0.000 . 1 . . . . . 6 Tyr C . 27845 1
19 . 1 1 6 6 TYR CA C 13 57.997 0.000 . 1 . . . . . 6 Tyr CA . 27845 1
20 . 1 1 6 6 TYR N N 15 116.763 0.042 . 1 . . . . . 6 Tyr N . 27845 1
21 . 1 1 7 7 LYS H H 1 7.349 0.007 . 1 . . . . . 7 Lys H . 27845 1
22 . 1 1 7 7 LYS C C 13 180.988 0.000 . 1 . . . . . 7 Lys C . 27845 1
23 . 1 1 7 7 LYS CA C 13 60.035 0.000 . 1 . . . . . 7 Lys CA . 27845 1
24 . 1 1 7 7 LYS N N 15 125.757 0.009 . 1 . . . . . 7 Lys N . 27845 1
25 . 1 1 8 8 GLU H H 1 9.603 0.016 . 1 . . . . . 8 Glu H . 27845 1
26 . 1 1 8 8 GLU CA C 13 57.225 0.000 . 1 . . . . . 8 Glu CA . 27845 1
27 . 1 1 8 8 GLU N N 15 117.369 0.074 . 1 . . . . . 8 Glu N . 27845 1
28 . 1 1 9 9 PHE H H 1 7.594 0.002 . 1 . . . . . 9 Phe H . 27845 1
29 . 1 1 9 9 PHE C C 13 174.894 0.000 . 1 . . . . . 9 Phe C . 27845 1
30 . 1 1 9 9 PHE CA C 13 57.671 0.000 . 1 . . . . . 9 Phe CA . 27845 1
31 . 1 1 9 9 PHE N N 15 116.975 0.002 . 1 . . . . . 9 Phe N . 27845 1
32 . 1 1 10 10 GLY H H 1 7.782 0.019 . 1 . . . . . 10 Gly H . 27845 1
33 . 1 1 10 10 GLY C C 13 173.239 0.000 . 1 . . . . . 10 Gly C . 27845 1
34 . 1 1 10 10 GLY CA C 13 45.792 0.000 . 1 . . . . . 10 Gly CA . 27845 1
35 . 1 1 10 10 GLY N N 15 105.326 0.109 . 1 . . . . . 10 Gly N . 27845 1
36 . 1 1 11 11 ALA H H 1 7.672 0.013 . 1 . . . . . 11 Ala H . 27845 1
37 . 1 1 11 11 ALA C C 13 172.957 0.000 . 1 . . . . . 11 Ala C . 27845 1
38 . 1 1 11 11 ALA CA C 13 48.871 0.000 . 1 . . . . . 11 Ala CA . 27845 1
39 . 1 1 11 11 ALA N N 15 120.444 0.012 . 1 . . . . . 11 Ala N . 27845 1
40 . 1 1 12 12 THR H H 1 6.426 0.042 . 1 . . . . . 12 Thr H . 27845 1
41 . 1 1 12 12 THR C C 13 175.998 0.000 . 1 . . . . . 12 Thr C . 27845 1
42 . 1 1 12 12 THR CA C 13 59.010 0.000 . 1 . . . . . 12 Thr CA . 27845 1
43 . 1 1 12 12 THR N N 15 103.678 0.102 . 1 . . . . . 12 Thr N . 27845 1
44 . 1 1 13 13 VAL H H 1 11.070 0.014 . 1 . . . . . 13 Val H . 27845 1
45 . 1 1 13 13 VAL C C 13 178.622 0.000 . 1 . . . . . 13 Val C . 27845 1
46 . 1 1 13 13 VAL CA C 13 66.672 0.000 . 1 . . . . . 13 Val CA . 27845 1
47 . 1 1 13 13 VAL N N 15 124.052 0.043 . 1 . . . . . 13 Val N . 27845 1
48 . 1 1 14 14 GLU H H 1 8.369 0.002 . 1 . . . . . 14 Glu H . 27845 1
49 . 1 1 14 14 GLU C C 13 178.549 0.000 . 1 . . . . . 14 Glu C . 27845 1
50 . 1 1 14 14 GLU CA C 13 60.117 0.000 . 1 . . . . . 14 Glu CA . 27845 1
51 . 1 1 14 14 GLU CB C 13 28.665 0.000 . 1 . . . . . 14 Glu CB . 27845 1
52 . 1 1 14 14 GLU N N 15 120.471 0.009 . 1 . . . . . 14 Glu N . 27845 1
53 . 1 1 15 15 LEU H H 1 7.710 0.020 . 1 . . . . . 15 Leu H . 27845 1
54 . 1 1 15 15 LEU CA C 13 57.099 0.000 . 1 . . . . . 15 Leu CA . 27845 1
55 . 1 1 15 15 LEU N N 15 121.530 0.061 . 1 . . . . . 15 Leu N . 27845 1
56 . 1 1 16 16 LEU C C 13 179.785 0.000 . 1 . . . . . 16 Leu C . 27845 1
57 . 1 1 16 16 LEU CA C 13 55.628 0.000 . 1 . . . . . 16 Leu CA . 27845 1
58 . 1 1 17 17 SER H H 1 7.690 0.000 . 1 . . . . . 17 Ser H . 27845 1
59 . 1 1 17 17 SER C C 13 173.784 0.000 . 1 . . . . . 17 Ser C . 27845 1
60 . 1 1 17 17 SER CA C 13 60.460 0.000 . 1 . . . . . 17 Ser CA . 27845 1
61 . 1 1 17 17 SER N N 15 113.231 0.158 . 1 . . . . . 17 Ser N . 27845 1
62 . 1 1 18 18 PHE H H 1 7.669 0.027 . 1 . . . . . 18 Phe H . 27845 1
63 . 1 1 18 18 PHE CA C 13 57.690 0.000 . 1 . . . . . 18 Phe CA . 27845 1
64 . 1 1 18 18 PHE N N 15 121.460 0.050 . 1 . . . . . 18 Phe N . 27845 1
65 . 1 1 20 20 PRO C C 13 177.530 0.000 . 1 . . . . . 20 Pro C . 27845 1
66 . 1 1 20 20 PRO CA C 13 61.683 0.000 . 1 . . . . . 20 Pro CA . 27845 1
67 . 1 1 21 21 SER H H 1 8.803 0.009 . 1 . . . . . 21 Ser H . 27845 1
68 . 1 1 21 21 SER C C 13 174.408 0.000 . 1 . . . . . 21 Ser C . 27845 1
69 . 1 1 21 21 SER CA C 13 61.663 0.000 . 1 . . . . . 21 Ser CA . 27845 1
70 . 1 1 21 21 SER N N 15 116.509 0.040 . 1 . . . . . 21 Ser N . 27845 1
71 . 1 1 22 22 ASP H H 1 8.116 0.002 . 1 . . . . . 22 Asp H . 27845 1
72 . 1 1 22 22 ASP C C 13 176.342 0.000 . 1 . . . . . 22 Asp C . 27845 1
73 . 1 1 22 22 ASP CA C 13 52.862 0.000 . 1 . . . . . 22 Asp CA . 27845 1
74 . 1 1 22 22 ASP CB C 13 39.056 0.000 . 1 . . . . . 22 Asp CB . 27845 1
75 . 1 1 22 22 ASP N N 15 114.807 0.083 . 1 . . . . . 22 Asp N . 27845 1
76 . 1 1 23 23 PHE H H 1 7.672 0.030 . 1 . . . . . 23 Phe H . 27845 1
77 . 1 1 23 23 PHE C C 13 173.912 0.000 . 1 . . . . . 23 Phe C . 27845 1
78 . 1 1 23 23 PHE CA C 13 59.220 0.000 . 1 . . . . . 23 Phe CA . 27845 1
79 . 1 1 23 23 PHE N N 15 119.264 0.043 . 1 . . . . . 23 Phe N . 27845 1
80 . 1 1 24 24 PHE H H 1 6.161 0.013 . 1 . . . . . 24 Phe H . 27845 1
81 . 1 1 24 24 PHE CA C 13 57.478 0.000 . 1 . . . . . 24 Phe CA . 27845 1
82 . 1 1 24 24 PHE N N 15 113.161 0.101 . 1 . . . . . 24 Phe N . 27845 1
83 . 1 1 25 25 PRO C C 13 173.630 0.000 . 1 . . . . . 25 Pro C . 27845 1
84 . 1 1 25 25 PRO CA C 13 61.790 0.000 . 1 . . . . . 25 Pro CA . 27845 1
85 . 1 1 26 26 SER H H 1 8.780 0.001 . 1 . . . . . 26 Ser H . 27845 1
86 . 1 1 26 26 SER C C 13 173.902 0.000 . 1 . . . . . 26 Ser C . 27845 1
87 . 1 1 26 26 SER CA C 13 57.009 0.000 . 1 . . . . . 26 Ser CA . 27845 1
88 . 1 1 26 26 SER N N 15 115.849 0.005 . 1 . . . . . 26 Ser N . 27845 1
89 . 1 1 27 27 VAL H H 1 8.667 0.019 . 1 . . . . . 27 Val H . 27845 1
90 . 1 1 27 27 VAL C C 13 177.256 0.000 . 1 . . . . . 27 Val C . 27845 1
91 . 1 1 27 27 VAL CA C 13 67.763 0.000 . 1 . . . . . 27 Val CA . 27845 1
92 . 1 1 27 27 VAL N N 15 119.911 0.026 . 1 . . . . . 27 Val N . 27845 1
93 . 1 1 28 28 ARG H H 1 8.232 0.014 . 1 . . . . . 28 Arg H . 27845 1
94 . 1 1 28 28 ARG HE H 1 7.388 0.000 . 1 . . . . . 28 Arg HE . 27845 1
95 . 1 1 28 28 ARG C C 13 177.923 0.000 . 1 . . . . . 28 Arg C . 27845 1
96 . 1 1 28 28 ARG CA C 13 58.964 0.000 . 1 . . . . . 28 Arg CA . 27845 1
97 . 1 1 28 28 ARG N N 15 117.490 0.150 . 1 . . . . . 28 Arg N . 27845 1
98 . 1 1 28 28 ARG NE N 15 86.043 0.000 . 1 . . . . . 28 Arg NE . 27845 1
99 . 1 1 29 29 ASP H H 1 7.783 0.017 . 1 . . . . . 29 Asp H . 27845 1
100 . 1 1 29 29 ASP CA C 13 57.350 0.000 . 1 . . . . . 29 Asp CA . 27845 1
101 . 1 1 29 29 ASP CB C 13 39.392 0.000 . 1 . . . . . 29 Asp CB . 27845 1
102 . 1 1 29 29 ASP N N 15 118.567 0.111 . 1 . . . . . 29 Asp N . 27845 1
103 . 1 1 30 30 LEU C C 13 178.706 0.000 . 1 . . . . . 30 Leu C . 27845 1
104 . 1 1 30 30 LEU CA C 13 57.970 0.000 . 1 . . . . . 30 Leu CA . 27845 1
105 . 1 1 31 31 LEU H H 1 9.091 0.005 . 1 . . . . . 31 Leu H . 27845 1
106 . 1 1 31 31 LEU C C 13 180.287 0.000 . 1 . . . . . 31 Leu C . 27845 1
107 . 1 1 31 31 LEU CA C 13 58.190 0.000 . 1 . . . . . 31 Leu CA . 27845 1
108 . 1 1 31 31 LEU N N 15 121.884 0.124 . 1 . . . . . 31 Leu N . 27845 1
109 . 1 1 32 32 ASP H H 1 8.685 0.003 . 1 . . . . . 32 Asp H . 27845 1
110 . 1 1 32 32 ASP C C 13 179.602 0.000 . 1 . . . . . 32 Asp C . 27845 1
111 . 1 1 32 32 ASP CA C 13 57.290 0.000 . 1 . . . . . 32 Asp CA . 27845 1
112 . 1 1 32 32 ASP N N 15 120.830 0.122 . 1 . . . . . 32 Asp N . 27845 1
113 . 1 1 33 33 THR H H 1 7.916 0.009 . 1 . . . . . 33 Thr H . 27845 1
114 . 1 1 33 33 THR C C 13 175.568 0.000 . 1 . . . . . 33 Thr C . 27845 1
115 . 1 1 33 33 THR CA C 13 67.719 0.000 . 1 . . . . . 33 Thr CA . 27845 1
116 . 1 1 33 33 THR N N 15 119.197 0.042 . 1 . . . . . 33 Thr N . 27845 1
117 . 1 1 34 34 ALA H H 1 8.605 0.027 . 1 . . . . . 34 Ala H . 27845 1
118 . 1 1 34 34 ALA C C 13 179.003 0.000 . 1 . . . . . 34 Ala C . 27845 1
119 . 1 1 34 34 ALA CA C 13 55.331 0.000 . 1 . . . . . 34 Ala CA . 27845 1
120 . 1 1 34 34 ALA N N 15 122.602 0.177 . 1 . . . . . 34 Ala N . 27845 1
121 . 1 1 35 35 SER H H 1 8.338 0.025 . 1 . . . . . 35 Ser H . 27845 1
122 . 1 1 35 35 SER C C 13 176.500 0.000 . 1 . . . . . 35 Ser C . 27845 1
123 . 1 1 35 35 SER CA C 13 60.769 0.000 . 1 . . . . . 35 Ser CA . 27845 1
124 . 1 1 35 35 SER N N 15 110.845 0.131 . 1 . . . . . 35 Ser N . 27845 1
125 . 1 1 36 36 ALA H H 1 8.041 0.008 . 1 . . . . . 36 Ala H . 27845 1
126 . 1 1 36 36 ALA C C 13 178.908 0.000 . 1 . . . . . 36 Ala C . 27845 1
127 . 1 1 36 36 ALA CA C 13 54.601 0.000 . 1 . . . . . 36 Ala CA . 27845 1
128 . 1 1 36 36 ALA N N 15 120.894 0.120 . 1 . . . . . 36 Ala N . 27845 1
129 . 1 1 37 37 LEU H H 1 7.526 0.001 . 1 . . . . . 37 Leu H . 27845 1
130 . 1 1 37 37 LEU C C 13 178.578 0.000 . 1 . . . . . 37 Leu C . 27845 1
131 . 1 1 37 37 LEU CA C 13 55.563 0.000 . 1 . . . . . 37 Leu CA . 27845 1
132 . 1 1 37 37 LEU N N 15 111.016 0.191 . 1 . . . . . 37 Leu N . 27845 1
133 . 1 1 38 38 TYR H H 1 7.846 0.024 . 1 . . . . . 38 Tyr H . 27845 1
134 . 1 1 38 38 TYR C C 13 175.945 0.000 . 1 . . . . . 38 Tyr C . 27845 1
135 . 1 1 38 38 TYR CA C 13 57.252 0.000 . 1 . . . . . 38 Tyr CA . 27845 1
136 . 1 1 38 38 TYR CB C 13 39.363 0.000 . 1 . . . . . 38 Tyr CB . 27845 1
137 . 1 1 38 38 TYR N N 15 113.153 0.063 . 1 . . . . . 38 Tyr N . 27845 1
138 . 1 1 39 39 ARG H H 1 7.617 0.019 . 1 . . . . . 39 Arg H . 27845 1
139 . 1 1 39 39 ARG HE H 1 7.683 0.000 . 1 . . . . . 39 Arg HE . 27845 1
140 . 1 1 39 39 ARG HH11 H 1 6.372 0.000 . 1 . . . . . 39 Arg HH11 . 27845 1
141 . 1 1 39 39 ARG C C 13 177.075 0.000 . 1 . . . . . 39 Arg C . 27845 1
142 . 1 1 39 39 ARG CA C 13 61.773 0.000 . 1 . . . . . 39 Arg CA . 27845 1
143 . 1 1 39 39 ARG N N 15 121.631 0.084 . 1 . . . . . 39 Arg N . 27845 1
144 . 1 1 39 39 ARG NE N 15 83.912 0.000 . 1 . . . . . 39 Arg NE . 27845 1
145 . 1 1 39 39 ARG NH1 N 15 71.545 0.000 . 1 . . . . . 39 Arg NH1 . 27845 1
146 . 1 1 40 40 GLU H H 1 8.636 0.005 . 1 . . . . . 40 Glu H . 27845 1
147 . 1 1 40 40 GLU C C 13 179.526 0.000 . 1 . . . . . 40 Glu C . 27845 1
148 . 1 1 40 40 GLU CA C 13 59.868 0.000 . 1 . . . . . 40 Glu CA . 27845 1
149 . 1 1 40 40 GLU N N 15 116.064 0.072 . 1 . . . . . 40 Glu N . 27845 1
150 . 1 1 41 41 ALA H H 1 8.147 0.024 . 1 . . . . . 41 Ala H . 27845 1
151 . 1 1 41 41 ALA C C 13 182.639 0.000 . 1 . . . . . 41 Ala C . 27845 1
152 . 1 1 41 41 ALA CA C 13 54.748 0.000 . 1 . . . . . 41 Ala CA . 27845 1
153 . 1 1 41 41 ALA CB C 13 18.899 0.000 . 1 . . . . . 41 Ala CB . 27845 1
154 . 1 1 41 41 ALA N N 15 120.611 0.097 . 1 . . . . . 41 Ala N . 27845 1
155 . 1 1 42 42 LEU H H 1 9.273 0.015 . 1 . . . . . 42 Leu H . 27845 1
156 . 1 1 42 42 LEU C C 13 179.510 0.000 . 1 . . . . . 42 Leu C . 27845 1
157 . 1 1 42 42 LEU CA C 13 58.497 0.000 . 1 . . . . . 42 Leu CA . 27845 1
158 . 1 1 42 42 LEU N N 15 119.650 0.055 . 1 . . . . . 42 Leu N . 27845 1
159 . 1 1 43 43 GLU H H 1 8.469 0.016 . 1 . . . . . 43 Glu H . 27845 1
160 . 1 1 43 43 GLU C C 13 175.139 0.000 . 1 . . . . . 43 Glu C . 27845 1
161 . 1 1 43 43 GLU CA C 13 57.385 0.000 . 1 . . . . . 43 Glu CA . 27845 1
162 . 1 1 43 43 GLU N N 15 118.514 0.034 . 1 . . . . . 43 Glu N . 27845 1
163 . 1 1 44 44 SER H H 1 7.291 0.034 . 1 . . . . . 44 Ser H . 27845 1
164 . 1 1 44 44 SER CA C 13 57.831 0.000 . 1 . . . . . 44 Ser CA . 27845 1
165 . 1 1 44 44 SER CB C 13 63.458 0.000 . 1 . . . . . 44 Ser CB . 27845 1
166 . 1 1 44 44 SER N N 15 116.091 0.104 . 1 . . . . . 44 Ser N . 27845 1
167 . 1 1 45 45 PRO C C 13 174.839 0.000 . 1 . . . . . 45 Pro C . 27845 1
168 . 1 1 45 45 PRO CA C 13 62.353 0.000 . 1 . . . . . 45 Pro CA . 27845 1
169 . 1 1 46 46 GLU H H 1 7.530 0.004 . 1 . . . . . 46 Glu H . 27845 1
170 . 1 1 46 46 GLU C C 13 175.932 0.000 . 1 . . . . . 46 Glu C . 27845 1
171 . 1 1 46 46 GLU CA C 13 54.120 0.000 . 1 . . . . . 46 Glu CA . 27845 1
172 . 1 1 46 46 GLU CB C 13 30.973 0.000 . 1 . . . . . 46 Glu CB . 27845 1
173 . 1 1 46 46 GLU N N 15 117.820 0.052 . 1 . . . . . 46 Glu N . 27845 1
174 . 1 1 47 47 HIS H H 1 8.265 0.018 . 1 . . . . . 47 His H . 27845 1
175 . 1 1 47 47 HIS C C 13 178.398 0.000 . 1 . . . . . 47 His C . 27845 1
176 . 1 1 47 47 HIS CA C 13 59.334 0.000 . 1 . . . . . 47 His CA . 27845 1
177 . 1 1 47 47 HIS N N 15 120.128 0.156 . 1 . . . . . 47 His N . 27845 1
178 . 1 1 48 48 CYS H H 1 8.730 0.025 . 1 . . . . . 48 Cys H . 27845 1
179 . 1 1 48 48 CYS C C 13 174.973 0.000 . 1 . . . . . 48 Cys C . 27845 1
180 . 1 1 48 48 CYS CA C 13 65.228 0.000 . 1 . . . . . 48 Cys CA . 27845 1
181 . 1 1 48 48 CYS CB C 13 22.711 0.000 . 1 . . . . . 48 Cys CB . 27845 1
182 . 1 1 48 48 CYS N N 15 108.165 0.159 . 1 . . . . . 48 Cys N . 27845 1
183 . 1 1 49 49 SER H H 1 8.766 0.004 . 1 . . . . . 49 Ser H . 27845 1
184 . 1 1 49 49 SER CA C 13 59.268 0.000 . 1 . . . . . 49 Ser CA . 27845 1
185 . 1 1 49 49 SER N N 15 118.841 0.012 . 1 . . . . . 49 Ser N . 27845 1
186 . 1 1 50 50 PRO C C 13 178.818 0.000 . 1 . . . . . 50 Pro C . 27845 1
187 . 1 1 50 50 PRO CA C 13 64.805 0.000 . 1 . . . . . 50 Pro CA . 27845 1
188 . 1 1 51 51 HIS H H 1 7.533 0.011 . 1 . . . . . 51 His H . 27845 1
189 . 1 1 51 51 HIS C C 13 177.621 0.000 . 1 . . . . . 51 His C . 27845 1
190 . 1 1 51 51 HIS CA C 13 59.087 0.000 . 1 . . . . . 51 His CA . 27845 1
191 . 1 1 51 51 HIS N N 15 113.899 0.040 . 1 . . . . . 51 His N . 27845 1
192 . 1 1 52 52 HIS H H 1 7.983 0.001 . 1 . . . . . 52 His H . 27845 1
193 . 1 1 52 52 HIS C C 13 178.040 0.000 . 1 . . . . . 52 His C . 27845 1
194 . 1 1 52 52 HIS CA C 13 61.453 0.000 . 1 . . . . . 52 His CA . 27845 1
195 . 1 1 52 52 HIS N N 15 118.801 0.026 . 1 . . . . . 52 His N . 27845 1
196 . 1 1 53 53 THR H H 1 8.219 0.004 . 1 . . . . . 53 Thr H . 27845 1
197 . 1 1 53 53 THR C C 13 177.185 0.000 . 1 . . . . . 53 Thr C . 27845 1
198 . 1 1 53 53 THR CA C 13 68.052 0.000 . 1 . . . . . 53 Thr CA . 27845 1
199 . 1 1 53 53 THR CB C 13 69.295 0.000 . 1 . . . . . 53 Thr CB . 27845 1
200 . 1 1 53 53 THR N N 15 117.393 0.076 . 1 . . . . . 53 Thr N . 27845 1
201 . 1 1 54 54 ALA H H 1 8.124 0.019 . 1 . . . . . 54 Ala H . 27845 1
202 . 1 1 54 54 ALA C C 13 179.180 0.000 . 1 . . . . . 54 Ala C . 27845 1
203 . 1 1 54 54 ALA CA C 13 56.341 0.000 . 1 . . . . . 54 Ala CA . 27845 1
204 . 1 1 54 54 ALA N N 15 122.987 0.028 . 1 . . . . . 54 Ala N . 27845 1
205 . 1 1 55 55 LEU H H 1 8.083 0.035 . 1 . . . . . 55 Leu H . 27845 1
206 . 1 1 55 55 LEU C C 13 178.628 0.000 . 1 . . . . . 55 Leu C . 27845 1
207 . 1 1 55 55 LEU CA C 13 57.778 0.000 . 1 . . . . . 55 Leu CA . 27845 1
208 . 1 1 55 55 LEU N N 15 117.364 0.079 . 1 . . . . . 55 Leu N . 27845 1
209 . 1 1 56 56 ARG H H 1 8.635 0.016 . 1 . . . . . 56 Arg H . 27845 1
210 . 1 1 56 56 ARG HE H 1 8.046 0.000 . 1 . . . . . 56 Arg HE . 27845 1
211 . 1 1 56 56 ARG HH11 H 1 7.563 0.000 . 1 . . . . . 56 Arg HH11 . 27845 1
212 . 1 1 56 56 ARG HH12 H 1 6.814 0.000 . 1 . . . . . 56 Arg HH12 . 27845 1
213 . 1 1 56 56 ARG HH21 H 1 6.652 0.000 . 1 . . . . . 56 Arg HH21 . 27845 1
214 . 1 1 56 56 ARG C C 13 177.501 0.000 . 1 . . . . . 56 Arg C . 27845 1
215 . 1 1 56 56 ARG CA C 13 60.553 0.000 . 1 . . . . . 56 Arg CA . 27845 1
216 . 1 1 56 56 ARG N N 15 117.061 0.051 . 1 . . . . . 56 Arg N . 27845 1
217 . 1 1 56 56 ARG NE N 15 89.323 0.000 . 1 . . . . . 56 Arg NE . 27845 1
218 . 1 1 56 56 ARG NH1 N 15 74.641 0.017 . 1 . . . . . 56 Arg NH1 . 27845 1
219 . 1 1 56 56 ARG NH2 N 15 70.280 0.000 . 1 . . . . . 56 Arg NH2 . 27845 1
220 . 1 1 57 57 GLN H H 1 7.222 0.019 . 1 . . . . . 57 Gln H . 27845 1
221 . 1 1 57 57 GLN C C 13 178.621 0.000 . 1 . . . . . 57 Gln C . 27845 1
222 . 1 1 57 57 GLN CA C 13 57.270 0.000 . 1 . . . . . 57 Gln CA . 27845 1
223 . 1 1 57 57 GLN N N 15 112.791 0.061 . 1 . . . . . 57 Gln N . 27845 1
224 . 1 1 58 58 ALA H H 1 8.236 0.026 . 1 . . . . . 58 Ala H . 27845 1
225 . 1 1 58 58 ALA C C 13 179.168 0.000 . 1 . . . . . 58 Ala C . 27845 1
226 . 1 1 58 58 ALA CA C 13 56.040 0.000 . 1 . . . . . 58 Ala CA . 27845 1
227 . 1 1 58 58 ALA N N 15 119.647 0.025 . 1 . . . . . 58 Ala N . 27845 1
228 . 1 1 59 59 ILE H H 1 8.988 0.016 . 1 . . . . . 59 Ile H . 27845 1
229 . 1 1 59 59 ILE C C 13 179.251 0.000 . 1 . . . . . 59 Ile C . 27845 1
230 . 1 1 59 59 ILE CA C 13 66.197 0.000 . 1 . . . . . 59 Ile CA . 27845 1
231 . 1 1 59 59 ILE N N 15 118.229 0.008 . 1 . . . . . 59 Ile N . 27845 1
232 . 1 1 60 60 LEU H H 1 7.922 0.001 . 1 . . . . . 60 Leu H . 27845 1
233 . 1 1 60 60 LEU C C 13 180.385 0.000 . 1 . . . . . 60 Leu C . 27845 1
234 . 1 1 60 60 LEU CA C 13 57.797 0.000 . 1 . . . . . 60 Leu CA . 27845 1
235 . 1 1 60 60 LEU N N 15 121.581 0.033 . 1 . . . . . 60 Leu N . 27845 1
236 . 1 1 61 61 CYS H H 1 8.841 0.019 . 1 . . . . . 61 Cys H . 27845 1
237 . 1 1 61 61 CYS C C 13 176.492 0.000 . 1 . . . . . 61 Cys C . 27845 1
238 . 1 1 61 61 CYS CA C 13 63.295 0.000 . 1 . . . . . 61 Cys CA . 27845 1
239 . 1 1 61 61 CYS N N 15 120.097 0.048 . 1 . . . . . 61 Cys N . 27845 1
240 . 1 1 62 62 TRP H H 1 8.579 0.004 . 1 . . . . . 62 Trp H . 27845 1
241 . 1 1 62 62 TRP HE1 H 1 10.148 0.003 . 1 . . . . . 62 Trp HE1 . 27845 1
242 . 1 1 62 62 TRP C C 13 178.091 0.000 . 1 . . . . . 62 Trp C . 27845 1
243 . 1 1 62 62 TRP CA C 13 60.208 0.000 . 1 . . . . . 62 Trp CA . 27845 1
244 . 1 1 62 62 TRP CD1 C 13 126.097 0.000 . 1 . . . . . 62 Trp CD1 . 27845 1
245 . 1 1 62 62 TRP N N 15 120.457 0.019 . 1 . . . . . 62 Trp N . 27845 1
246 . 1 1 62 62 TRP NE1 N 15 132.220 0.022 . 1 . . . . . 62 Trp NE1 . 27845 1
247 . 1 1 63 63 GLY H H 1 8.355 0.025 . 1 . . . . . 63 Gly H . 27845 1
248 . 1 1 63 63 GLY C C 13 177.507 0.000 . 1 . . . . . 63 Gly C . 27845 1
249 . 1 1 63 63 GLY CA C 13 47.412 0.000 . 1 . . . . . 63 Gly CA . 27845 1
250 . 1 1 63 63 GLY N N 15 104.756 0.107 . 1 . . . . . 63 Gly N . 27845 1
251 . 1 1 64 64 GLU H H 1 7.944 0.011 . 1 . . . . . 64 Glu H . 27845 1
252 . 1 1 64 64 GLU C C 13 180.411 0.000 . 1 . . . . . 64 Glu C . 27845 1
253 . 1 1 64 64 GLU CA C 13 58.047 0.000 . 1 . . . . . 64 Glu CA . 27845 1
254 . 1 1 64 64 GLU N N 15 120.586 0.008 . 1 . . . . . 64 Glu N . 27845 1
255 . 1 1 65 65 LEU H H 1 8.363 0.021 . 1 . . . . . 65 Leu H . 27845 1
256 . 1 1 65 65 LEU C C 13 178.532 0.000 . 1 . . . . . 65 Leu C . 27845 1
257 . 1 1 65 65 LEU CA C 13 57.344 0.000 . 1 . . . . . 65 Leu CA . 27845 1
258 . 1 1 65 65 LEU N N 15 124.600 0.028 . 1 . . . . . 65 Leu N . 27845 1
259 . 1 1 66 66 MET H H 1 8.473 0.004 . 1 . . . . . 66 Met H . 27845 1
260 . 1 1 66 66 MET C C 13 180.050 0.000 . 1 . . . . . 66 Met C . 27845 1
261 . 1 1 66 66 MET CA C 13 56.865 0.000 . 1 . . . . . 66 Met CA . 27845 1
262 . 1 1 66 66 MET N N 15 120.054 0.160 . 1 . . . . . 66 Met N . 27845 1
263 . 1 1 67 67 THR H H 1 8.237 0.008 . 1 . . . . . 67 Thr H . 27845 1
264 . 1 1 67 67 THR C C 13 176.516 0.000 . 1 . . . . . 67 Thr C . 27845 1
265 . 1 1 67 67 THR CA C 13 67.003 0.000 . 1 . . . . . 67 Thr CA . 27845 1
266 . 1 1 67 67 THR N N 15 121.285 0.014 . 1 . . . . . 67 Thr N . 27845 1
267 . 1 1 68 68 LEU H H 1 7.975 0.025 . 1 . . . . . 68 Leu H . 27845 1
268 . 1 1 68 68 LEU C C 13 177.366 0.000 . 1 . . . . . 68 Leu C . 27845 1
269 . 1 1 68 68 LEU CA C 13 58.448 0.000 . 1 . . . . . 68 Leu CA . 27845 1
270 . 1 1 68 68 LEU CB C 13 39.794 0.000 . 1 . . . . . 68 Leu CB . 27845 1
271 . 1 1 68 68 LEU N N 15 124.613 0.016 . 1 . . . . . 68 Leu N . 27845 1
272 . 1 1 69 69 ALA H H 1 8.586 0.010 . 1 . . . . . 69 Ala H . 27845 1
273 . 1 1 69 69 ALA C C 13 180.205 0.000 . 1 . . . . . 69 Ala C . 27845 1
274 . 1 1 69 69 ALA CA C 13 55.548 0.000 . 1 . . . . . 69 Ala CA . 27845 1
275 . 1 1 69 69 ALA CB C 13 17.065 0.000 . 1 . . . . . 69 Ala CB . 27845 1
276 . 1 1 69 69 ALA N N 15 121.809 0.093 . 1 . . . . . 69 Ala N . 27845 1
277 . 1 1 70 70 THR H H 1 8.356 0.011 . 1 . . . . . 70 Thr H . 27845 1
278 . 1 1 70 70 THR C C 13 176.216 0.000 . 1 . . . . . 70 Thr C . 27845 1
279 . 1 1 70 70 THR CA C 13 66.112 0.000 . 1 . . . . . 70 Thr CA . 27845 1
280 . 1 1 70 70 THR CB C 13 68.670 0.000 . 1 . . . . . 70 Thr CB . 27845 1
281 . 1 1 70 70 THR N N 15 117.360 0.125 . 1 . . . . . 70 Thr N . 27845 1
282 . 1 1 71 71 TRP H H 1 8.845 0.018 . 1 . . . . . 71 Trp H . 27845 1
283 . 1 1 71 71 TRP HE1 H 1 10.224 0.006 . 1 . . . . . 71 Trp HE1 . 27845 1
284 . 1 1 71 71 TRP C C 13 180.837 0.000 . 1 . . . . . 71 Trp C . 27845 1
285 . 1 1 71 71 TRP CA C 13 62.429 0.000 . 1 . . . . . 71 Trp CA . 27845 1
286 . 1 1 71 71 TRP CD2 C 13 127.302 0.000 . 1 . . . . . 71 Trp CD2 . 27845 1
287 . 1 1 71 71 TRP CE2 C 13 134.374 0.000 . 1 . . . . . 71 Trp CE2 . 27845 1
288 . 1 1 71 71 TRP N N 15 125.340 0.142 . 1 . . . . . 71 Trp N . 27845 1
289 . 1 1 71 71 TRP NE1 N 15 130.377 0.116 . 1 . . . . . 71 Trp NE1 . 27845 1
290 . 1 1 72 72 VAL H H 1 9.361 0.013 . 1 . . . . . 72 Val H . 27845 1
291 . 1 1 72 72 VAL C C 13 177.128 0.000 . 1 . . . . . 72 Val C . 27845 1
292 . 1 1 72 72 VAL CA C 13 65.787 0.000 . 1 . . . . . 72 Val CA . 27845 1
293 . 1 1 72 72 VAL N N 15 119.013 0.006 . 1 . . . . . 72 Val N . 27845 1
294 . 1 1 73 73 GLY H H 1 7.544 0.010 . 1 . . . . . 73 Gly H . 27845 1
295 . 1 1 73 73 GLY C C 13 174.528 0.000 . 1 . . . . . 73 Gly C . 27845 1
296 . 1 1 73 73 GLY CA C 13 46.566 0.000 . 1 . . . . . 73 Gly CA . 27845 1
297 . 1 1 73 73 GLY N N 15 105.235 0.018 . 1 . . . . . 73 Gly N . 27845 1
298 . 1 1 74 74 VAL H H 1 7.009 0.009 . 1 . . . . . 74 Val H . 27845 1
299 . 1 1 74 74 VAL C C 13 176.963 0.000 . 1 . . . . . 74 Val C . 27845 1
300 . 1 1 74 74 VAL CA C 13 63.131 0.000 . 1 . . . . . 74 Val CA . 27845 1
301 . 1 1 74 74 VAL CB C 13 32.867 0.000 . 1 . . . . . 74 Val CB . 27845 1
302 . 1 1 74 74 VAL N N 15 114.804 0.051 . 1 . . . . . 74 Val N . 27845 1
303 . 1 1 75 75 ASN H H 1 7.667 0.024 . 1 . . . . . 75 Asn H . 27845 1
304 . 1 1 75 75 ASN HD21 H 1 6.785 0.024 . 1 . . . . . 75 Asn HD21 . 27845 1
305 . 1 1 75 75 ASN HD22 H 1 5.758 0.014 . 1 . . . . . 75 Asn HD22 . 27845 1
306 . 1 1 75 75 ASN C C 13 174.429 0.000 . 1 . . . . . 75 Asn C . 27845 1
307 . 1 1 75 75 ASN CA C 13 55.398 0.000 . 1 . . . . . 75 Asn CA . 27845 1
308 . 1 1 75 75 ASN CB C 13 39.399 0.000 . 1 . . . . . 75 Asn CB . 27845 1
309 . 1 1 75 75 ASN CG C 13 176.246 0.019 . 1 . . . . . 75 Asn CG . 27845 1
310 . 1 1 75 75 ASN N N 15 114.637 0.047 . 1 . . . . . 75 Asn N . 27845 1
311 . 1 1 75 75 ASN ND2 N 15 116.466 0.119 . 1 . . . . . 75 Asn ND2 . 27845 1
312 . 1 1 76 76 LEU H H 1 7.790 0.011 . 1 . . . . . 76 Leu H . 27845 1
313 . 1 1 76 76 LEU C C 13 176.714 0.000 . 1 . . . . . 76 Leu C . 27845 1
314 . 1 1 76 76 LEU CA C 13 55.403 0.000 . 1 . . . . . 76 Leu CA . 27845 1
315 . 1 1 76 76 LEU N N 15 119.303 0.033 . 1 . . . . . 76 Leu N . 27845 1
316 . 1 1 77 77 GLU H H 1 8.783 0.014 . 1 . . . . . 77 Glu H . 27845 1
317 . 1 1 77 77 GLU C C 13 176.061 0.000 . 1 . . . . . 77 Glu C . 27845 1
318 . 1 1 77 77 GLU CA C 13 57.012 0.000 . 1 . . . . . 77 Glu CA . 27845 1
319 . 1 1 77 77 GLU N N 15 123.222 0.059 . 1 . . . . . 77 Glu N . 27845 1
320 . 1 1 78 78 ASP H H 1 7.404 0.006 . 1 . . . . . 78 Asp H . 27845 1
321 . 1 1 78 78 ASP CA C 13 51.237 0.000 . 1 . . . . . 78 Asp CA . 27845 1
322 . 1 1 78 78 ASP N N 15 118.922 0.100 . 1 . . . . . 78 Asp N . 27845 1
323 . 1 1 79 79 PRO C C 13 178.199 0.000 . 1 . . . . . 79 Pro C . 27845 1
324 . 1 1 79 79 PRO CA C 13 65.184 0.000 . 1 . . . . . 79 Pro CA . 27845 1
325 . 1 1 80 80 ALA H H 1 7.982 0.017 . 1 . . . . . 80 Ala H . 27845 1
326 . 1 1 80 80 ALA C C 13 181.121 0.000 . 1 . . . . . 80 Ala C . 27845 1
327 . 1 1 80 80 ALA CA C 13 55.204 0.000 . 1 . . . . . 80 Ala CA . 27845 1
328 . 1 1 80 80 ALA CB C 13 17.931 0.000 . 1 . . . . . 80 Ala CB . 27845 1
329 . 1 1 80 80 ALA N N 15 118.470 0.095 . 1 . . . . . 80 Ala N . 27845 1
330 . 1 1 81 81 SER H H 1 7.708 0.017 . 1 . . . . . 81 Ser H . 27845 1
331 . 1 1 81 81 SER C C 13 174.997 0.000 . 1 . . . . . 81 Ser C . 27845 1
332 . 1 1 81 81 SER CA C 13 62.949 0.000 . 1 . . . . . 81 Ser CA . 27845 1
333 . 1 1 81 81 SER N N 15 114.755 0.046 . 1 . . . . . 81 Ser N . 27845 1
334 . 1 1 82 82 ARG H H 1 7.751 0.020 . 1 . . . . . 82 Arg H . 27845 1
335 . 1 1 82 82 ARG HE H 1 6.175 0.000 . 1 . . . . . 82 Arg HE . 27845 1
336 . 1 1 82 82 ARG C C 13 177.398 0.000 . 1 . . . . . 82 Arg C . 27845 1
337 . 1 1 82 82 ARG CA C 13 59.749 0.000 . 1 . . . . . 82 Arg CA . 27845 1
338 . 1 1 82 82 ARG N N 15 120.524 0.070 . 1 . . . . . 82 Arg N . 27845 1
339 . 1 1 82 82 ARG NE N 15 83.294 0.000 . 1 . . . . . 82 Arg NE . 27845 1
340 . 1 1 83 83 ASP H H 1 8.197 0.004 . 1 . . . . . 83 Asp H . 27845 1
341 . 1 1 83 83 ASP C C 13 179.559 0.000 . 1 . . . . . 83 Asp C . 27845 1
342 . 1 1 83 83 ASP CA C 13 57.086 0.000 . 1 . . . . . 83 Asp CA . 27845 1
343 . 1 1 83 83 ASP N N 15 117.533 0.018 . 1 . . . . . 83 Asp N . 27845 1
344 . 1 1 84 84 LEU H H 1 8.168 0.025 . 1 . . . . . 84 Leu H . 27845 1
345 . 1 1 84 84 LEU C C 13 179.599 0.000 . 1 . . . . . 84 Leu C . 27845 1
346 . 1 1 84 84 LEU CA C 13 58.208 0.000 . 1 . . . . . 84 Leu CA . 27845 1
347 . 1 1 84 84 LEU N N 15 121.389 0.099 . 1 . . . . . 84 Leu N . 27845 1
348 . 1 1 85 85 VAL H H 1 7.796 0.018 . 1 . . . . . 85 Val H . 27845 1
349 . 1 1 85 85 VAL C C 13 177.288 0.000 . 1 . . . . . 85 Val C . 27845 1
350 . 1 1 85 85 VAL CA C 13 67.216 0.000 . 1 . . . . . 85 Val CA . 27845 1
351 . 1 1 85 85 VAL CB C 13 31.769 0.000 . 1 . . . . . 85 Val CB . 27845 1
352 . 1 1 85 85 VAL N N 15 117.654 0.030 . 1 . . . . . 85 Val N . 27845 1
353 . 1 1 86 86 VAL H H 1 8.339 0.003 . 1 . . . . . 86 Val H . 27845 1
354 . 1 1 86 86 VAL C C 13 178.498 0.000 . 1 . . . . . 86 Val C . 27845 1
355 . 1 1 86 86 VAL CA C 13 68.032 0.000 . 1 . . . . . 86 Val CA . 27845 1
356 . 1 1 86 86 VAL CB C 13 31.558 0.000 . 1 . . . . . 86 Val CB . 27845 1
357 . 1 1 86 86 VAL N N 15 118.778 0.108 . 1 . . . . . 86 Val N . 27845 1
358 . 1 1 87 87 SER H H 1 8.443 0.007 . 1 . . . . . 87 Ser H . 27845 1
359 . 1 1 87 87 SER C C 13 176.780 0.000 . 1 . . . . . 87 Ser C . 27845 1
360 . 1 1 87 87 SER CA C 13 61.801 0.000 . 1 . . . . . 87 Ser CA . 27845 1
361 . 1 1 87 87 SER CB C 13 62.678 0.000 . 1 . . . . . 87 Ser CB . 27845 1
362 . 1 1 87 87 SER N N 15 114.399 0.085 . 1 . . . . . 87 Ser N . 27845 1
363 . 1 1 88 88 TYR H H 1 7.962 0.010 . 1 . . . . . 88 Tyr H . 27845 1
364 . 1 1 88 88 TYR C C 13 178.767 0.000 . 1 . . . . . 88 Tyr C . 27845 1
365 . 1 1 88 88 TYR CA C 13 61.837 0.000 . 1 . . . . . 88 Tyr CA . 27845 1
366 . 1 1 88 88 TYR N N 15 124.928 0.074 . 1 . . . . . 88 Tyr N . 27845 1
367 . 1 1 89 89 VAL H H 1 8.267 0.020 . 1 . . . . . 89 Val H . 27845 1
368 . 1 1 89 89 VAL C C 13 177.390 0.000 . 1 . . . . . 89 Val C . 27845 1
369 . 1 1 89 89 VAL CA C 13 66.486 0.000 . 1 . . . . . 89 Val CA . 27845 1
370 . 1 1 89 89 VAL N N 15 119.278 0.180 . 1 . . . . . 89 Val N . 27845 1
371 . 1 1 90 90 ASN H H 1 8.317 0.010 . 1 . . . . . 90 Asn H . 27845 1
372 . 1 1 90 90 ASN HD21 H 1 7.399 0.003 . 1 . . . . . 90 Asn HD21 . 27845 1
373 . 1 1 90 90 ASN HD22 H 1 6.927 0.007 . 1 . . . . . 90 Asn HD22 . 27845 1
374 . 1 1 90 90 ASN C C 13 177.031 0.000 . 1 . . . . . 90 Asn C . 27845 1
375 . 1 1 90 90 ASN CA C 13 57.125 0.000 . 1 . . . . . 90 Asn CA . 27845 1
376 . 1 1 90 90 ASN CB C 13 39.190 0.000 . 1 . . . . . 90 Asn CB . 27845 1
377 . 1 1 90 90 ASN CG C 13 176.001 0.021 . 1 . . . . . 90 Asn CG . 27845 1
378 . 1 1 90 90 ASN N N 15 114.727 0.010 . 1 . . . . . 90 Asn N . 27845 1
379 . 1 1 90 90 ASN ND2 N 15 112.513 0.003 . 1 . . . . . 90 Asn ND2 . 27845 1
380 . 1 1 91 91 THR H H 1 8.637 0.035 . 1 . . . . . 91 Thr H . 27845 1
381 . 1 1 91 91 THR C C 13 174.846 0.000 . 1 . . . . . 91 Thr C . 27845 1
382 . 1 1 91 91 THR CA C 13 64.720 0.000 . 1 . . . . . 91 Thr CA . 27845 1
383 . 1 1 91 91 THR CB C 13 69.096 0.000 . 1 . . . . . 91 Thr CB . 27845 1
384 . 1 1 91 91 THR N N 15 112.886 0.149 . 1 . . . . . 91 Thr N . 27845 1
385 . 1 1 92 92 ASN H H 1 7.930 0.005 . 1 . . . . . 92 Asn H . 27845 1
386 . 1 1 92 92 ASN C C 13 177.271 0.000 . 1 . . . . . 92 Asn C . 27845 1
387 . 1 1 92 92 ASN CA C 13 56.257 0.000 . 1 . . . . . 92 Asn CA . 27845 1
388 . 1 1 92 92 ASN N N 15 120.590 0.045 . 1 . . . . . 92 Asn N . 27845 1
389 . 1 1 93 93 MET H H 1 7.313 0.029 . 1 . . . . . 93 Met H . 27845 1
390 . 1 1 93 93 MET C C 13 178.778 0.000 . 1 . . . . . 93 Met C . 27845 1
391 . 1 1 93 93 MET CA C 13 59.498 0.000 . 1 . . . . . 93 Met CA . 27845 1
392 . 1 1 93 93 MET N N 15 117.038 0.041 . 1 . . . . . 93 Met N . 27845 1
393 . 1 1 94 94 GLY H H 1 7.942 0.000 . 1 . . . . . 94 Gly H . 27845 1
394 . 1 1 94 94 GLY C C 13 175.161 0.000 . 1 . . . . . 94 Gly C . 27845 1
395 . 1 1 94 94 GLY CA C 13 47.519 0.000 . 1 . . . . . 94 Gly CA . 27845 1
396 . 1 1 94 94 GLY N N 15 104.862 0.145 . 1 . . . . . 94 Gly N . 27845 1
397 . 1 1 95 95 LEU H H 1 7.074 0.003 . 1 . . . . . 95 Leu H . 27845 1
398 . 1 1 95 95 LEU C C 13 177.507 0.000 . 1 . . . . . 95 Leu C . 27845 1
399 . 1 1 95 95 LEU CA C 13 58.563 0.000 . 1 . . . . . 95 Leu CA . 27845 1
400 . 1 1 95 95 LEU N N 15 120.534 0.053 . 1 . . . . . 95 Leu N . 27845 1
401 . 1 1 96 96 LYS H H 1 8.127 0.006 . 1 . . . . . 96 Lys H . 27845 1
402 . 1 1 96 96 LYS C C 13 177.407 0.000 . 1 . . . . . 96 Lys C . 27845 1
403 . 1 1 96 96 LYS CA C 13 59.751 0.000 . 1 . . . . . 96 Lys CA . 27845 1
404 . 1 1 96 96 LYS CB C 13 31.685 0.000 . 1 . . . . . 96 Lys CB . 27845 1
405 . 1 1 96 96 LYS N N 15 117.524 0.062 . 1 . . . . . 96 Lys N . 27845 1
406 . 1 1 97 97 PHE H H 1 7.978 0.002 . 1 . . . . . 97 Phe H . 27845 1
407 . 1 1 97 97 PHE C C 13 176.366 0.000 . 1 . . . . . 97 Phe C . 27845 1
408 . 1 1 97 97 PHE CA C 13 59.881 0.000 . 1 . . . . . 97 Phe CA . 27845 1
409 . 1 1 97 97 PHE N N 15 117.153 0.009 . 1 . . . . . 97 Phe N . 27845 1
410 . 1 1 98 98 ARG H H 1 8.537 0.006 . 1 . . . . . 98 Arg H . 27845 1
411 . 1 1 98 98 ARG HE H 1 6.955 0.000 . 1 . . . . . 98 Arg HE . 27845 1
412 . 1 1 98 98 ARG HH11 H 1 6.881 0.000 . 1 . . . . . 98 Arg HH11 . 27845 1
413 . 1 1 98 98 ARG CA C 13 58.921 0.000 . 1 . . . . . 98 Arg CA . 27845 1
414 . 1 1 98 98 ARG N N 15 116.980 0.117 . 1 . . . . . 98 Arg N . 27845 1
415 . 1 1 98 98 ARG NE N 15 81.869 0.000 . 1 . . . . . 98 Arg NE . 27845 1
416 . 1 1 98 98 ARG NH1 N 15 72.984 0.000 . 1 . . . . . 98 Arg NH1 . 27845 1
417 . 1 1 99 99 GLN C C 13 176.996 0.000 . 1 . . . . . 99 Gln C . 27845 1
418 . 1 1 99 99 GLN CA C 13 59.062 0.000 . 1 . . . . . 99 Gln CA . 27845 1
419 . 1 1 99 99 GLN CB C 13 29.258 0.000 . 1 . . . . . 99 Gln CB . 27845 1
420 . 1 1 100 100 LEU H H 1 7.779 0.016 . 1 . . . . . 100 Leu H . 27845 1
421 . 1 1 100 100 LEU C C 13 180.133 0.000 . 1 . . . . . 100 Leu C . 27845 1
422 . 1 1 100 100 LEU CA C 13 59.624 0.000 . 1 . . . . . 100 Leu CA . 27845 1
423 . 1 1 100 100 LEU N N 15 120.377 0.017 . 1 . . . . . 100 Leu N . 27845 1
424 . 1 1 101 101 LEU H H 1 9.053 0.005 . 1 . . . . . 101 Leu H . 27845 1
425 . 1 1 101 101 LEU C C 13 179.002 0.000 . 1 . . . . . 101 Leu C . 27845 1
426 . 1 1 101 101 LEU CA C 13 58.327 0.000 . 1 . . . . . 101 Leu CA . 27845 1
427 . 1 1 101 101 LEU N N 15 119.766 0.057 . 1 . . . . . 101 Leu N . 27845 1
428 . 1 1 102 102 TRP H H 1 8.816 0.016 . 1 . . . . . 102 Trp H . 27845 1
429 . 1 1 102 102 TRP HE1 H 1 11.062 0.003 . 1 . . . . . 102 Trp HE1 . 27845 1
430 . 1 1 102 102 TRP C C 13 179.264 0.000 . 1 . . . . . 102 Trp C . 27845 1
431 . 1 1 102 102 TRP CA C 13 63.339 0.000 . 1 . . . . . 102 Trp CA . 27845 1
432 . 1 1 102 102 TRP CD1 C 13 124.462 0.000 . 1 . . . . . 102 Trp CD1 . 27845 1
433 . 1 1 102 102 TRP N N 15 118.133 0.162 . 1 . . . . . 102 Trp N . 27845 1
434 . 1 1 102 102 TRP NE1 N 15 132.993 0.024 . 1 . . . . . 102 Trp NE1 . 27845 1
435 . 1 1 103 103 PHE H H 1 8.966 0.004 . 1 . . . . . 103 Phe H . 27845 1
436 . 1 1 103 103 PHE C C 13 177.172 0.000 . 1 . . . . . 103 Phe C . 27845 1
437 . 1 1 103 103 PHE CA C 13 62.408 0.000 . 1 . . . . . 103 Phe CA . 27845 1
438 . 1 1 103 103 PHE N N 15 122.468 0.013 . 1 . . . . . 103 Phe N . 27845 1
439 . 1 1 104 104 HIS H H 1 8.372 0.021 . 1 . . . . . 104 His H . 27845 1
440 . 1 1 104 104 HIS C C 13 178.239 0.000 . 1 . . . . . 104 His C . 27845 1
441 . 1 1 104 104 HIS CA C 13 61.334 0.000 . 1 . . . . . 104 His CA . 27845 1
442 . 1 1 104 104 HIS CB C 13 31.588 0.000 . 1 . . . . . 104 His CB . 27845 1
443 . 1 1 104 104 HIS N N 15 118.461 0.148 . 1 . . . . . 104 His N . 27845 1
444 . 1 1 105 105 ILE H H 1 8.883 0.015 . 1 . . . . . 105 Ile H . 27845 1
445 . 1 1 105 105 ILE C C 13 179.201 0.000 . 1 . . . . . 105 Ile C . 27845 1
446 . 1 1 105 105 ILE CA C 13 65.458 0.000 . 1 . . . . . 105 Ile CA . 27845 1
447 . 1 1 105 105 ILE N N 15 118.272 0.022 . 1 . . . . . 105 Ile N . 27845 1
448 . 1 1 106 106 SER H H 1 8.091 0.045 . 1 . . . . . 106 Ser H . 27845 1
449 . 1 1 106 106 SER C C 13 175.355 0.000 . 1 . . . . . 106 Ser C . 27845 1
450 . 1 1 106 106 SER CA C 13 63.005 0.000 . 1 . . . . . 106 Ser CA . 27845 1
451 . 1 1 106 106 SER N N 15 118.136 0.099 . 1 . . . . . 106 Ser N . 27845 1
452 . 1 1 107 107 CYS H H 1 8.018 0.020 . 1 . . . . . 107 Cys H . 27845 1
453 . 1 1 107 107 CYS C C 13 177.461 0.000 . 1 . . . . . 107 Cys C . 27845 1
454 . 1 1 107 107 CYS CA C 13 64.151 0.000 . 1 . . . . . 107 Cys CA . 27845 1
455 . 1 1 107 107 CYS CB C 13 26.360 0.000 . 1 . . . . . 107 Cys CB . 27845 1
456 . 1 1 107 107 CYS N N 15 121.456 0.051 . 1 . . . . . 107 Cys N . 27845 1
457 . 1 1 108 108 LEU H H 1 7.432 0.066 . 1 . . . . . 108 Leu H . 27845 1
458 . 1 1 108 108 LEU C C 13 177.842 0.000 . 1 . . . . . 108 Leu C . 27845 1
459 . 1 1 108 108 LEU CA C 13 57.246 0.000 . 1 . . . . . 108 Leu CA . 27845 1
460 . 1 1 108 108 LEU N N 15 118.157 0.157 . 1 . . . . . 108 Leu N . 27845 1
461 . 1 1 109 109 THR H H 1 7.317 0.011 . 1 . . . . . 109 Thr H . 27845 1
462 . 1 1 109 109 THR C C 13 174.399 0.000 . 1 . . . . . 109 Thr C . 27845 1
463 . 1 1 109 109 THR CA C 13 65.266 0.000 . 1 . . . . . 109 Thr CA . 27845 1
464 . 1 1 109 109 THR CB C 13 69.370 0.000 . 1 . . . . . 109 Thr CB . 27845 1
465 . 1 1 109 109 THR N N 15 113.137 0.040 . 1 . . . . . 109 Thr N . 27845 1
466 . 1 1 110 110 PHE H H 1 8.126 0.009 . 1 . . . . . 110 Phe H . 27845 1
467 . 1 1 110 110 PHE C C 13 175.533 0.000 . 1 . . . . . 110 Phe C . 27845 1
468 . 1 1 110 110 PHE CA C 13 58.786 0.000 . 1 . . . . . 110 Phe CA . 27845 1
469 . 1 1 110 110 PHE N N 15 115.031 0.007 . 1 . . . . . 110 Phe N . 27845 1
470 . 1 1 111 111 GLY H H 1 7.401 0.008 . 1 . . . . . 111 Gly H . 27845 1
471 . 1 1 111 111 GLY C C 13 174.286 0.000 . 1 . . . . . 111 Gly C . 27845 1
472 . 1 1 111 111 GLY CA C 13 44.177 0.000 . 1 . . . . . 111 Gly CA . 27845 1
473 . 1 1 111 111 GLY N N 15 110.355 0.010 . 1 . . . . . 111 Gly N . 27845 1
474 . 1 1 112 112 ARG H H 1 8.779 0.025 . 1 . . . . . 112 Arg H . 27845 1
475 . 1 1 112 112 ARG HE H 1 6.891 0.000 . 1 . . . . . 112 Arg HE . 27845 1
476 . 1 1 112 112 ARG HH11 H 1 7.070 0.000 . 1 . . . . . 112 Arg HH11 . 27845 1
477 . 1 1 112 112 ARG C C 13 177.743 0.000 . 1 . . . . . 112 Arg C . 27845 1
478 . 1 1 112 112 ARG CA C 13 59.692 0.000 . 1 . . . . . 112 Arg CA . 27845 1
479 . 1 1 112 112 ARG N N 15 126.185 0.065 . 1 . . . . . 112 Arg N . 27845 1
480 . 1 1 112 112 ARG NE N 15 83.626 0.000 . 1 . . . . . 112 Arg NE . 27845 1
481 . 1 1 112 112 ARG NH1 N 15 72.706 0.000 . 1 . . . . . 112 Arg NH1 . 27845 1
482 . 1 1 113 113 GLU H H 1 9.296 0.012 . 1 . . . . . 113 Glu H . 27845 1
483 . 1 1 113 113 GLU C C 13 179.056 0.000 . 1 . . . . . 113 Glu C . 27845 1
484 . 1 1 113 113 GLU CA C 13 60.796 0.000 . 1 . . . . . 113 Glu CA . 27845 1
485 . 1 1 113 113 GLU CB C 13 27.966 0.000 . 1 . . . . . 113 Glu CB . 27845 1
486 . 1 1 113 113 GLU N N 15 117.087 0.050 . 1 . . . . . 113 Glu N . 27845 1
487 . 1 1 114 114 THR H H 1 7.510 0.019 . 1 . . . . . 114 Thr H . 27845 1
488 . 1 1 114 114 THR C C 13 176.538 0.000 . 1 . . . . . 114 Thr C . 27845 1
489 . 1 1 114 114 THR CA C 13 65.900 0.000 . 1 . . . . . 114 Thr CA . 27845 1
490 . 1 1 114 114 THR CB C 13 68.273 0.000 . 1 . . . . . 114 Thr CB . 27845 1
491 . 1 1 114 114 THR N N 15 116.467 0.059 . 1 . . . . . 114 Thr N . 27845 1
492 . 1 1 115 115 VAL H H 1 7.795 0.010 . 1 . . . . . 115 Val H . 27845 1
493 . 1 1 115 115 VAL C C 13 177.108 0.000 . 1 . . . . . 115 Val C . 27845 1
494 . 1 1 115 115 VAL CA C 13 67.257 0.000 . 1 . . . . . 115 Val CA . 27845 1
495 . 1 1 115 115 VAL CB C 13 30.540 0.000 . 1 . . . . . 115 Val CB . 27845 1
496 . 1 1 115 115 VAL N N 15 123.187 0.136 . 1 . . . . . 115 Val N . 27845 1
497 . 1 1 116 116 ILE H H 1 8.193 0.012 . 1 . . . . . 116 Ile H . 27845 1
498 . 1 1 116 116 ILE C C 13 177.810 0.000 . 1 . . . . . 116 Ile C . 27845 1
499 . 1 1 116 116 ILE CA C 13 65.567 0.000 . 1 . . . . . 116 Ile CA . 27845 1
500 . 1 1 116 116 ILE N N 15 120.725 0.103 . 1 . . . . . 116 Ile N . 27845 1
501 . 1 1 117 117 GLU H H 1 7.932 0.007 . 1 . . . . . 117 Glu H . 27845 1
502 . 1 1 117 117 GLU CA C 13 59.216 0.000 . 1 . . . . . 117 Glu CA . 27845 1
503 . 1 1 117 117 GLU N N 15 117.132 0.015 . 1 . . . . . 117 Glu N . 27845 1
504 . 1 1 118 118 TYR H H 1 7.882 0.001 . 1 . . . . . 118 Tyr H . 27845 1
505 . 1 1 118 118 TYR CA C 13 61.830 0.000 . 1 . . . . . 118 Tyr CA . 27845 1
506 . 1 1 118 118 TYR N N 15 121.598 0.014 . 1 . . . . . 118 Tyr N . 27845 1
507 . 1 1 121 121 SER C C 13 176.936 0.000 . 1 . . . . . 121 Ser C . 27845 1
508 . 1 1 122 122 PHE H H 1 9.938 0.002 . 1 . . . . . 122 Phe H . 27845 1
509 . 1 1 122 122 PHE C C 13 177.315 0.000 . 1 . . . . . 122 Phe C . 27845 1
510 . 1 1 122 122 PHE CA C 13 62.055 0.000 . 1 . . . . . 122 Phe CA . 27845 1
511 . 1 1 122 122 PHE N N 15 126.571 0.014 . 1 . . . . . 122 Phe N . 27845 1
512 . 1 1 123 123 GLY H H 1 8.397 0.003 . 1 . . . . . 123 Gly H . 27845 1
513 . 1 1 123 123 GLY C C 13 174.370 0.000 . 1 . . . . . 123 Gly C . 27845 1
514 . 1 1 123 123 GLY CA C 13 47.002 0.000 . 1 . . . . . 123 Gly CA . 27845 1
515 . 1 1 123 123 GLY N N 15 105.707 0.019 . 1 . . . . . 123 Gly N . 27845 1
516 . 1 1 124 124 VAL H H 1 7.219 0.021 . 1 . . . . . 124 Val H . 27845 1
517 . 1 1 124 124 VAL C C 13 178.166 0.000 . 1 . . . . . 124 Val C . 27845 1
518 . 1 1 124 124 VAL CA C 13 66.563 0.000 . 1 . . . . . 124 Val CA . 27845 1
519 . 1 1 124 124 VAL N N 15 118.382 0.113 . 1 . . . . . 124 Val N . 27845 1
520 . 1 1 125 125 TRP H H 1 7.450 0.013 . 1 . . . . . 125 Trp H . 27845 1
521 . 1 1 125 125 TRP CA C 13 63.644 0.000 . 1 . . . . . 125 Trp CA . 27845 1
522 . 1 1 125 125 TRP N N 15 121.572 0.078 . 1 . . . . . 125 Trp N . 27845 1
523 . 1 1 128 128 THR H H 1 7.342 0.031 . 1 . . . . . 128 Thr H . 27845 1
524 . 1 1 128 128 THR CA C 13 61.083 0.000 . 1 . . . . . 128 Thr CA . 27845 1
525 . 1 1 128 128 THR CB C 13 69.556 0.000 . 1 . . . . . 128 Thr CB . 27845 1
526 . 1 1 128 128 THR N N 15 121.069 0.022 . 1 . . . . . 128 Thr N . 27845 1
527 . 1 1 130 130 PRO C C 13 177.632 0.000 . 1 . . . . . 130 Pro C . 27845 1
528 . 1 1 130 130 PRO CA C 13 65.513 0.000 . 1 . . . . . 130 Pro CA . 27845 1
529 . 1 1 131 131 ALA H H 1 8.283 0.016 . 1 . . . . . 131 Ala H . 27845 1
530 . 1 1 131 131 ALA CA C 13 54.417 0.000 . 1 . . . . . 131 Ala CA . 27845 1
531 . 1 1 131 131 ALA CB C 13 17.842 0.000 . 1 . . . . . 131 Ala CB . 27845 1
532 . 1 1 131 131 ALA N N 15 117.518 0.045 . 1 . . . . . 131 Ala N . 27845 1
533 . 1 1 135 135 PRO C C 13 177.287 0.000 . 1 . . . . . 135 Pro C . 27845 1
534 . 1 1 135 135 PRO CA C 13 64.744 0.000 . 1 . . . . . 135 Pro CA . 27845 1
535 . 1 1 136 136 ASN H H 1 8.208 0.006 . 1 . . . . . 136 Asn H . 27845 1
536 . 1 1 136 136 ASN C C 13 172.760 0.096 . 1 . . . . . 136 Asn C . 27845 1
537 . 1 1 136 136 ASN CA C 13 51.689 0.000 . 1 . . . . . 136 Asn CA . 27845 1
538 . 1 1 136 136 ASN N N 15 114.825 0.106 . 1 . . . . . 136 Asn N . 27845 1
539 . 1 1 137 137 ALA H H 1 8.203 0.024 . 1 . . . . . 137 Ala H . 27845 1
540 . 1 1 137 137 ALA CA C 13 49.361 0.000 . 1 . . . . . 137 Ala CA . 27845 1
541 . 1 1 137 137 ALA N N 15 126.236 0.065 . 1 . . . . . 137 Ala N . 27845 1
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