Content for NMR-STAR saveframe, "Ash1_420-500_shift_list"
save_Ash1_420-500_shift_list
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode Ash1_420-500_shift_list
_Assigned_chem_shift_list.Entry_ID 26719
_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 $Ash1_420-500_reference
_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' . . . 26719 1
2 '3D HNCO' . . . 26719 1
3 '3D HNCACB' . . . 26719 1
4 '3D CBCA(CO)NH' . . . 26719 1
5 '3D HN(CA)CO' . . . 26719 1
6 '3D (H)N(COCA)NH' . . . 26719 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
1 $TOPSPIN . . 26719 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_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 3 3 SER H H 1 8.323 0.020 . 1 . . . . . 3 SER H . 26719 1
2 . 1 . 1 3 3 SER C C 13 174.519 0.300 . 1 . . . . . 3 SER C . 26719 1
3 . 1 . 1 3 3 SER CA C 13 58.183 0.300 . 1 . . . . . 3 SER CA . 26719 1
4 . 1 . 1 3 3 SER CB C 13 63.706 0.300 . 1 . . . . . 3 SER CB . 26719 1
5 . 1 . 1 3 3 SER N N 15 115.801 0.300 . 1 . . . . . 3 SER N . 26719 1
6 . 1 . 1 4 4 ALA H H 1 8.335 0.020 . 1 . . . . . 4 ALA H . 26719 1
7 . 1 . 1 4 4 ALA C C 13 177.939 0.300 . 1 . . . . . 4 ALA C . 26719 1
8 . 1 . 1 4 4 ALA CA C 13 52.583 0.300 . 1 . . . . . 4 ALA CA . 26719 1
9 . 1 . 1 4 4 ALA CB C 13 18.984 0.300 . 1 . . . . . 4 ALA CB . 26719 1
10 . 1 . 1 4 4 ALA N N 15 126.372 0.300 . 1 . . . . . 4 ALA N . 26719 1
11 . 1 . 1 5 5 SER H H 1 8.158 0.020 . 1 . . . . . 5 SER H . 26719 1
12 . 1 . 1 5 5 SER C C 13 174.620 0.300 . 1 . . . . . 5 SER C . 26719 1
13 . 1 . 1 5 5 SER CA C 13 58.260 0.300 . 1 . . . . . 5 SER CA . 26719 1
14 . 1 . 1 5 5 SER CB C 13 63.629 0.300 . 1 . . . . . 5 SER CB . 26719 1
15 . 1 . 1 5 5 SER N N 15 114.887 0.300 . 1 . . . . . 5 SER N . 26719 1
16 . 1 . 1 6 6 SER H H 1 8.132 0.020 . 1 . . . . . 6 SER H . 26719 1
17 . 1 . 1 6 6 SER C C 13 174.186 0.300 . 1 . . . . . 6 SER C . 26719 1
18 . 1 . 1 6 6 SER CA C 13 58.254 0.300 . 1 . . . . . 6 SER CA . 26719 1
19 . 1 . 1 6 6 SER CB C 13 63.823 0.300 . 1 . . . . . 6 SER CB . 26719 1
20 . 1 . 1 6 6 SER N N 15 117.768 0.300 . 1 . . . . . 6 SER N . 26719 1
21 . 1 . 1 7 7 SER H H 1 8.208 0.020 . 1 . . . . . 7 SER H . 26719 1
22 . 1 . 1 7 7 SER C C 13 172.397 0.300 . 1 . . . . . 7 SER C . 26719 1
23 . 1 . 1 7 7 SER CA C 13 56.467 0.300 . 1 . . . . . 7 SER CA . 26719 1
24 . 1 . 1 7 7 SER CB C 13 63.048 0.300 . 1 . . . . . 7 SER CB . 26719 1
25 . 1 . 1 7 7 SER N N 15 118.929 0.300 . 1 . . . . . 7 SER N . 26719 1
26 . 1 . 1 9 9 SER H H 1 8.288 0.020 . 1 . . . . . 9 SER H . 26719 1
27 . 1 . 1 9 9 SER C C 13 172.905 0.300 . 1 . . . . . 9 SER C . 26719 1
28 . 1 . 1 9 9 SER CA C 13 56.342 0.300 . 1 . . . . . 9 SER CA . 26719 1
29 . 1 . 1 9 9 SER CB C 13 63.399 0.300 . 1 . . . . . 9 SER CB . 26719 1
30 . 1 . 1 9 9 SER N N 15 118.004 0.300 . 1 . . . . . 9 SER N . 26719 1
31 . 1 . 1 10 10 PRO N N 15 137.774 0.300 . 1 . . . . . 10 PRO N . 26719 1
32 . 1 . 1 11 11 SER H H 1 8.260 0.020 . 1 . . . . . 11 SER H . 26719 1
33 . 1 . 1 11 11 SER C C 13 174.406 0.300 . 1 . . . . . 11 SER C . 26719 1
34 . 1 . 1 11 11 SER CA C 13 58.106 0.300 . 1 . . . . . 11 SER CA . 26719 1
35 . 1 . 1 11 11 SER CB C 13 63.706 0.300 . 1 . . . . . 11 SER CB . 26719 1
36 . 1 . 1 11 11 SER N N 15 116.124 0.300 . 1 . . . . . 11 SER N . 26719 1
37 . 1 . 1 12 12 THR H H 1 8.012 0.020 . 1 . . . . . 12 THR H . 26719 1
38 . 1 . 1 12 12 THR C C 13 172.826 0.300 . 1 . . . . . 12 THR C . 26719 1
39 . 1 . 1 12 12 THR CA C 13 59.860 0.300 . 1 . . . . . 12 THR CA . 26719 1
40 . 1 . 1 12 12 THR CB C 13 69.618 0.300 . 1 . . . . . 12 THR CB . 26719 1
41 . 1 . 1 12 12 THR N N 15 118.496 0.300 . 1 . . . . . 12 THR N . 26719 1
42 . 1 . 1 14 14 THR H H 1 8.170 0.020 . 1 . . . . . 14 THR H . 26719 1
43 . 1 . 1 14 14 THR C C 13 174.778 0.300 . 1 . . . . . 14 THR C . 26719 1
44 . 1 . 1 14 14 THR CA C 13 62.095 0.300 . 1 . . . . . 14 THR CA . 26719 1
45 . 1 . 1 14 14 THR CB C 13 69.766 0.300 . 1 . . . . . 14 THR CB . 26719 1
46 . 1 . 1 14 14 THR N N 15 115.449 0.300 . 1 . . . . . 14 THR N . 26719 1
47 . 1 . 1 15 15 LYS H H 1 8.293 0.020 . 1 . . . . . 15 LYS H . 26719 1
48 . 1 . 1 15 15 LYS C C 13 176.720 0.300 . 1 . . . . . 15 LYS C . 26719 1
49 . 1 . 1 15 15 LYS CA C 13 56.265 0.300 . 1 . . . . . 15 LYS CA . 26719 1
50 . 1 . 1 15 15 LYS CB C 13 32.639 0.300 . 1 . . . . . 15 LYS CB . 26719 1
51 . 1 . 1 15 15 LYS N N 15 124.145 0.300 . 1 . . . . . 15 LYS N . 26719 1
52 . 1 . 1 16 16 SER H H 1 8.222 0.020 . 1 . . . . . 16 SER H . 26719 1
53 . 1 . 1 16 16 SER C C 13 175.140 0.300 . 1 . . . . . 16 SER C . 26719 1
54 . 1 . 1 16 16 SER CA C 13 58.336 0.300 . 1 . . . . . 16 SER CA . 26719 1
55 . 1 . 1 16 16 SER CB C 13 63.629 0.300 . 1 . . . . . 16 SER CB . 26719 1
56 . 1 . 1 16 16 SER N N 15 117.113 0.300 . 1 . . . . . 16 SER N . 26719 1
57 . 1 . 1 17 17 GLY H H 1 8.273 0.020 . 1 . . . . . 17 GLY H . 26719 1
58 . 1 . 1 17 17 GLY C C 13 174.180 0.300 . 1 . . . . . 17 GLY C . 26719 1
59 . 1 . 1 17 17 GLY CA C 13 45.146 0.300 . 1 . . . . . 17 GLY CA . 26719 1
60 . 1 . 1 17 17 GLY N N 15 111.025 0.300 . 1 . . . . . 17 GLY N . 26719 1
61 . 1 . 1 18 18 LYS H H 1 7.994 0.020 . 1 . . . . . 18 LYS H . 26719 1
62 . 1 . 1 18 18 LYS C C 13 176.904 0.300 . 1 . . . . . 18 LYS C . 26719 1
63 . 1 . 1 18 18 LYS CA C 13 56.342 0.300 . 1 . . . . . 18 LYS CA . 26719 1
64 . 1 . 1 18 18 LYS CB C 13 32.792 0.300 . 1 . . . . . 18 LYS CB . 26719 1
65 . 1 . 1 18 18 LYS N N 15 120.770 0.300 . 1 . . . . . 18 LYS N . 26719 1
66 . 1 . 1 19 19 MET H H 1 8.244 0.020 . 1 . . . . . 19 MET H . 26719 1
67 . 1 . 1 19 19 MET C C 13 176.362 0.300 . 1 . . . . . 19 MET C . 26719 1
68 . 1 . 1 19 19 MET CA C 13 55.498 0.300 . 1 . . . . . 19 MET CA . 26719 1
69 . 1 . 1 19 19 MET CB C 13 32.178 0.300 . 1 . . . . . 19 MET CB . 26719 1
70 . 1 . 1 19 19 MET N N 15 121.672 0.300 . 1 . . . . . 19 MET N . 26719 1
71 . 1 . 1 20 20 ARG H H 1 8.229 0.020 . 1 . . . . . 20 ARG H . 26719 1
72 . 1 . 1 20 20 ARG C C 13 176.449 0.300 . 1 . . . . . 20 ARG C . 26719 1
73 . 1 . 1 20 20 ARG CA C 13 55.958 0.300 . 1 . . . . . 20 ARG CA . 26719 1
74 . 1 . 1 20 20 ARG CB C 13 30.491 0.300 . 1 . . . . . 20 ARG CB . 26719 1
75 . 1 . 1 20 20 ARG N N 15 122.996 0.300 . 1 . . . . . 20 ARG N . 26719 1
76 . 1 . 1 21 21 SER H H 1 8.258 0.020 . 1 . . . . . 21 SER H . 26719 1
77 . 1 . 1 21 21 SER C C 13 174.699 0.300 . 1 . . . . . 21 SER C . 26719 1
78 . 1 . 1 21 21 SER CA C 13 58.336 0.300 . 1 . . . . . 21 SER CA . 26719 1
79 . 1 . 1 21 21 SER CB C 13 63.553 0.300 . 1 . . . . . 21 SER CB . 26719 1
80 . 1 . 1 21 21 SER N N 15 117.605 0.300 . 1 . . . . . 21 SER N . 26719 1
81 . 1 . 1 22 22 ARG H H 1 8.346 0.020 . 1 . . . . . 22 ARG H . 26719 1
82 . 1 . 1 22 22 ARG C C 13 176.517 0.300 . 1 . . . . . 22 ARG C . 26719 1
83 . 1 . 1 22 22 ARG CA C 13 56.035 0.300 . 1 . . . . . 22 ARG CA . 26719 1
84 . 1 . 1 22 22 ARG CB C 13 30.567 0.300 . 1 . . . . . 22 ARG CB . 26719 1
85 . 1 . 1 22 22 ARG N N 15 123.371 0.300 . 1 . . . . . 22 ARG N . 26719 1
86 . 1 . 1 23 23 SER H H 1 8.239 0.020 . 1 . . . . . 23 SER H . 26719 1
87 . 1 . 1 23 23 SER C C 13 174.575 0.300 . 1 . . . . . 23 SER C . 26719 1
88 . 1 . 1 23 23 SER CA C 13 58.336 0.300 . 1 . . . . . 23 SER CA . 26719 1
89 . 1 . 1 23 23 SER CB C 13 63.553 0.300 . 1 . . . . . 23 SER CB . 26719 1
90 . 1 . 1 23 23 SER N N 15 117.080 0.300 . 1 . . . . . 23 SER N . 26719 1
91 . 1 . 1 24 24 SER H H 1 8.217 0.020 . 1 . . . . . 24 SER H . 26719 1
92 . 1 . 1 24 24 SER C C 13 174.203 0.300 . 1 . . . . . 24 SER C . 26719 1
93 . 1 . 1 24 24 SER CA C 13 58.493 0.300 . 1 . . . . . 24 SER CA . 26719 1
94 . 1 . 1 24 24 SER CB C 13 63.427 0.300 . 1 . . . . . 24 SER CB . 26719 1
95 . 1 . 1 24 24 SER N N 15 118.030 0.300 . 1 . . . . . 24 SER N . 26719 1
96 . 1 . 1 25 25 SER H H 1 8.148 0.020 . 1 . . . . . 25 SER H . 26719 1
97 . 1 . 1 25 25 SER C C 13 172.408 0.300 . 1 . . . . . 25 SER C . 26719 1
98 . 1 . 1 25 25 SER CA C 13 56.467 0.300 . 1 . . . . . 25 SER CA . 26719 1
99 . 1 . 1 25 25 SER CB C 13 63.144 0.300 . 1 . . . . . 25 SER CB . 26719 1
100 . 1 . 1 25 25 SER N N 15 118.903 0.300 . 1 . . . . . 25 SER N . 26719 1
101 . 1 . 1 27 27 VAL H H 1 8.123 0.020 . 1 . . . . . 27 VAL H . 26719 1
102 . 1 . 1 27 27 VAL C C 13 176.179 0.300 . 1 . . . . . 27 VAL C . 26719 1
103 . 1 . 1 27 27 VAL CA C 13 62.479 0.300 . 1 . . . . . 27 VAL CA . 26719 1
104 . 1 . 1 27 27 VAL CB C 13 32.219 0.300 . 1 . . . . . 27 VAL CB . 26719 1
105 . 1 . 1 27 27 VAL N N 15 121.449 0.300 . 1 . . . . . 27 VAL N . 26719 1
106 . 1 . 1 28 28 ARG H H 1 8.311 0.020 . 1 . . . . . 28 ARG H . 26719 1
107 . 1 . 1 28 28 ARG C C 13 174.056 0.300 . 1 . . . . . 28 ARG C . 26719 1
108 . 1 . 1 28 28 ARG CA C 13 53.504 0.300 . 1 . . . . . 28 ARG CA . 26719 1
109 . 1 . 1 28 28 ARG CB C 13 29.800 0.300 . 1 . . . . . 28 ARG CB . 26719 1
110 . 1 . 1 28 28 ARG N N 15 127.075 0.300 . 1 . . . . . 28 ARG N . 26719 1
111 . 1 . 1 29 29 PRO N N 15 136.611 0.300 . 1 . . . . . 29 PRO N . 26719 1
112 . 1 . 1 30 30 LYS H H 1 8.255 0.020 . 1 . . . . . 30 LYS H . 26719 1
113 . 1 . 1 30 30 LYS C C 13 176.362 0.300 . 1 . . . . . 30 LYS C . 26719 1
114 . 1 . 1 30 30 LYS CA C 13 56.342 0.300 . 1 . . . . . 30 LYS CA . 26719 1
115 . 1 . 1 30 30 LYS CB C 13 32.562 0.300 . 1 . . . . . 30 LYS CB . 26719 1
116 . 1 . 1 30 30 LYS N N 15 122.136 0.300 . 1 . . . . . 30 LYS N . 26719 1
117 . 1 . 1 31 31 ALA H H 1 8.162 0.020 . 1 . . . . . 31 ALA H . 26719 1
118 . 1 . 1 31 31 ALA C C 13 177.059 0.300 . 1 . . . . . 31 ALA C . 26719 1
119 . 1 . 1 31 31 ALA CA C 13 52.046 0.300 . 1 . . . . . 31 ALA CA . 26719 1
120 . 1 . 1 31 31 ALA CB C 13 18.984 0.300 . 1 . . . . . 31 ALA CB . 26719 1
121 . 1 . 1 31 31 ALA N N 15 125.320 0.300 . 1 . . . . . 31 ALA N . 26719 1
122 . 1 . 1 32 32 TYR H H 1 8.106 0.020 . 1 . . . . . 32 TYR H . 26719 1
123 . 1 . 1 32 32 TYR C C 13 175.366 0.300 . 1 . . . . . 32 TYR C . 26719 1
124 . 1 . 1 32 32 TYR CA C 13 57.799 0.300 . 1 . . . . . 32 TYR CA . 26719 1
125 . 1 . 1 32 32 TYR CB C 13 38.775 0.300 . 1 . . . . . 32 TYR CB . 26719 1
126 . 1 . 1 32 32 TYR N N 15 120.910 0.300 . 1 . . . . . 32 TYR N . 26719 1
127 . 1 . 1 33 33 THR H H 1 7.853 0.020 . 1 . . . . . 33 THR H . 26719 1
128 . 1 . 1 33 33 THR C C 13 175.357 0.300 . 1 . . . . . 33 THR C . 26719 1
129 . 1 . 1 33 33 THR CA C 13 59.027 0.300 . 1 . . . . . 33 THR CA . 26719 1
130 . 1 . 1 33 33 THR CB C 13 70.073 0.300 . 1 . . . . . 33 THR CB . 26719 1
131 . 1 . 1 33 33 THR N N 15 121.426 0.300 . 1 . . . . . 33 THR N . 26719 1
132 . 1 . 1 35 35 SER H H 1 8.362 0.020 . 1 . . . . . 35 SER H . 26719 1
133 . 1 . 1 35 35 SER C C 13 172.837 0.300 . 1 . . . . . 35 SER C . 26719 1
134 . 1 . 1 35 35 SER CA C 13 56.342 0.300 . 1 . . . . . 35 SER CA . 26719 1
135 . 1 . 1 35 35 SER CB C 13 63.399 0.300 . 1 . . . . . 35 SER CB . 26719 1
136 . 1 . 1 35 35 SER N N 15 118.145 0.300 . 1 . . . . . 35 SER N . 26719 1
137 . 1 . 1 37 37 ARG H H 1 8.141 0.020 . 1 . . . . . 37 ARG H . 26719 1
138 . 1 . 1 37 37 ARG C C 13 176.280 0.300 . 1 . . . . . 37 ARG C . 26719 1
139 . 1 . 1 37 37 ARG CA C 13 55.652 0.300 . 1 . . . . . 37 ARG CA . 26719 1
140 . 1 . 1 37 37 ARG CB C 13 30.567 0.300 . 1 . . . . . 37 ARG CB . 26719 1
141 . 1 . 1 37 37 ARG N N 15 120.465 0.300 . 1 . . . . . 37 ARG N . 26719 1
142 . 1 . 1 38 38 SER H H 1 8.158 0.020 . 1 . . . . . 38 SER H . 26719 1
143 . 1 . 1 38 38 SER C C 13 173.266 0.300 . 1 . . . . . 38 SER C . 26719 1
144 . 1 . 1 38 38 SER CA C 13 56.265 0.300 . 1 . . . . . 38 SER CA . 26719 1
145 . 1 . 1 38 38 SER CB C 13 63.092 0.300 . 1 . . . . . 38 SER CB . 26719 1
146 . 1 . 1 38 38 SER N N 15 118.473 0.300 . 1 . . . . . 38 SER N . 26719 1
147 . 1 . 1 40 40 ASN H H 1 8.164 0.020 . 1 . . . . . 40 ASN H . 26719 1
148 . 1 . 1 40 40 ASN C C 13 174.936 0.300 . 1 . . . . . 40 ASN C . 26719 1
149 . 1 . 1 40 40 ASN CA C 13 52.967 0.300 . 1 . . . . . 40 ASN CA . 26719 1
150 . 1 . 1 40 40 ASN CB C 13 38.238 0.300 . 1 . . . . . 40 ASN CB . 26719 1
151 . 1 . 1 40 40 ASN N N 15 117.137 0.300 . 1 . . . . . 40 ASN N . 26719 1
152 . 1 . 1 41 41 TYR H H 1 7.718 0.020 . 1 . . . . . 41 TYR H . 26719 1
153 . 1 . 1 41 41 TYR C C 13 175.637 0.300 . 1 . . . . . 41 TYR C . 26719 1
154 . 1 . 1 41 41 TYR CA C 13 58.643 0.300 . 1 . . . . . 41 TYR CA . 26719 1
155 . 1 . 1 41 41 TYR CB C 13 38.471 0.300 . 1 . . . . . 41 TYR CB . 26719 1
156 . 1 . 1 41 41 TYR N N 15 120.817 0.300 . 1 . . . . . 41 TYR N . 26719 1
157 . 1 . 1 42 42 HIS H H 1 7.958 0.020 . 1 . . . . . 42 HIS H . 26719 1
158 . 1 . 1 42 42 HIS C C 13 174.684 0.300 . 1 . . . . . 42 HIS C . 26719 1
159 . 1 . 1 42 42 HIS CA C 13 55.805 0.300 . 1 . . . . . 42 HIS CA . 26719 1
160 . 1 . 1 42 42 HIS CB C 13 29.877 0.300 . 1 . . . . . 42 HIS CB . 26719 1
161 . 1 . 1 42 42 HIS N N 15 121.188 0.300 . 1 . . . . . 42 HIS N . 26719 1
162 . 1 . 1 43 43 ARG H H 1 7.824 0.020 . 1 . . . . . 43 ARG H . 26719 1
163 . 1 . 1 43 43 ARG C C 13 175.934 0.300 . 1 . . . . . 43 ARG C . 26719 1
164 . 1 . 1 43 43 ARG CA C 13 56.235 0.300 . 1 . . . . . 43 ARG CA . 26719 1
165 . 1 . 1 43 43 ARG CB C 13 30.128 0.300 . 1 . . . . . 43 ARG CB . 26719 1
166 . 1 . 1 43 43 ARG N N 15 122.012 0.300 . 1 . . . . . 43 ARG N . 26719 1
167 . 1 . 1 44 44 PHE H H 1 7.982 0.020 . 1 . . . . . 44 PHE H . 26719 1
168 . 1 . 1 44 44 PHE C C 13 175.506 0.300 . 1 . . . . . 44 PHE C . 26719 1
169 . 1 . 1 44 44 PHE CA C 13 57.493 0.300 . 1 . . . . . 44 PHE CA . 26719 1
170 . 1 . 1 44 44 PHE CB C 13 39.159 0.300 . 1 . . . . . 44 PHE CB . 26719 1
171 . 1 . 1 44 44 PHE N N 15 120.629 0.300 . 1 . . . . . 44 PHE N . 26719 1
172 . 1 . 1 45 45 ALA H H 1 7.976 0.020 . 1 . . . . . 45 ALA H . 26719 1
173 . 1 . 1 45 45 ALA C C 13 177.612 0.300 . 1 . . . . . 45 ALA C . 26719 1
174 . 1 . 1 45 45 ALA CA C 13 52.276 0.300 . 1 . . . . . 45 ALA CA . 26719 1
175 . 1 . 1 45 45 ALA CB C 13 19.061 0.300 . 1 . . . . . 45 ALA CB . 26719 1
176 . 1 . 1 45 45 ALA N N 15 124.871 0.300 . 1 . . . . . 45 ALA N . 26719 1
177 . 1 . 1 46 46 LEU H H 1 7.999 0.020 . 1 . . . . . 46 LEU H . 26719 1
178 . 1 . 1 46 46 LEU C C 13 177.236 0.300 . 1 . . . . . 46 LEU C . 26719 1
179 . 1 . 1 46 46 LEU CA C 13 55.038 0.300 . 1 . . . . . 46 LEU CA . 26719 1
180 . 1 . 1 46 46 LEU CB C 13 41.997 0.300 . 1 . . . . . 46 LEU CB . 26719 1
181 . 1 . 1 46 46 LEU N N 15 120.934 0.300 . 1 . . . . . 46 LEU N . 26719 1
182 . 1 . 1 47 47 ASP H H 1 8.070 0.020 . 1 . . . . . 47 ASP H . 26719 1
183 . 1 . 1 47 47 ASP C C 13 175.930 0.300 . 1 . . . . . 47 ASP C . 26719 1
184 . 1 . 1 47 47 ASP CA C 13 54.117 0.300 . 1 . . . . . 47 ASP CA . 26719 1
185 . 1 . 1 47 47 ASP CB C 13 40.693 0.300 . 1 . . . . . 47 ASP CB . 26719 1
186 . 1 . 1 47 47 ASP N N 15 120.160 0.300 . 1 . . . . . 47 ASP N . 26719 1
187 . 1 . 1 48 48 SER H H 1 7.906 0.020 . 1 . . . . . 48 SER H . 26719 1
188 . 1 . 1 48 48 SER C C 13 171.855 0.300 . 1 . . . . . 48 SER C . 26719 1
189 . 1 . 1 48 48 SER CA C 13 56.342 0.300 . 1 . . . . . 48 SER CA . 26719 1
190 . 1 . 1 48 48 SER CB C 13 63.169 0.300 . 1 . . . . . 48 SER CB . 26719 1
191 . 1 . 1 48 48 SER N N 15 116.809 0.300 . 1 . . . . . 48 SER N . 26719 1
192 . 1 . 1 49 49 PRO N N 15 138.991 0.300 . 1 . . . . . 49 PRO N . 26719 1
193 . 1 . 1 51 51 GLN H H 1 8.370 0.020 . 1 . . . . . 51 GLN H . 26719 1
194 . 1 . 1 51 51 GLN C C 13 175.969 0.300 . 1 . . . . . 51 GLN C . 26719 1
195 . 1 . 1 51 51 GLN CA C 13 55.450 0.300 . 1 . . . . . 51 GLN CA . 26719 1
196 . 1 . 1 51 51 GLN CB C 13 29.274 0.300 . 1 . . . . . 51 GLN CB . 26719 1
197 . 1 . 1 51 51 GLN N N 15 120.465 0.300 . 1 . . . . . 51 GLN N . 26719 1
198 . 1 . 1 52 52 SER H H 1 8.258 0.020 . 1 . . . . . 52 SER H . 26719 1
199 . 1 . 1 52 52 SER C C 13 172.690 0.300 . 1 . . . . . 52 SER C . 26719 1
200 . 1 . 1 52 52 SER CA C 13 56.419 0.300 . 1 . . . . . 52 SER CA . 26719 1
201 . 1 . 1 52 52 SER CB C 13 63.092 0.300 . 1 . . . . . 52 SER CB . 26719 1
202 . 1 . 1 52 52 SER N N 15 118.824 0.300 . 1 . . . . . 52 SER N . 26719 1
203 . 1 . 1 54 54 ARG H H 1 8.263 0.020 . 1 . . . . . 54 ARG H . 26719 1
204 . 1 . 1 54 54 ARG C C 13 176.485 0.300 . 1 . . . . . 54 ARG C . 26719 1
205 . 1 . 1 54 54 ARG CA C 13 56.024 0.300 . 1 . . . . . 54 ARG CA . 26719 1
206 . 1 . 1 54 54 ARG CB C 13 30.497 0.300 . 1 . . . . . 54 ARG CB . 26719 1
207 . 1 . 1 54 54 ARG N N 15 121.670 0.300 . 1 . . . . . 54 ARG N . 26719 1
208 . 1 . 1 57 57 SER H H 1 8.322 0.020 . 1 . . . . . 57 SER H . 26719 1
209 . 1 . 1 57 57 SER C C 13 174.390 0.300 . 1 . . . . . 57 SER C . 26719 1
210 . 1 . 1 57 57 SER CA C 13 58.316 0.300 . 1 . . . . . 57 SER CA . 26719 1
211 . 1 . 1 57 57 SER CB C 13 63.623 0.300 . 1 . . . . . 57 SER CB . 26719 1
212 . 1 . 1 57 57 SER N N 15 117.987 0.300 . 1 . . . . . 57 SER N . 26719 1
213 . 1 . 1 58 58 ASN H H 1 8.322 0.020 . 1 . . . . . 58 ASN H . 26719 1
214 . 1 . 1 58 58 ASN C C 13 175.482 0.300 . 1 . . . . . 58 ASN C . 26719 1
215 . 1 . 1 58 58 ASN CA C 13 53.197 0.300 . 1 . . . . . 58 ASN CA . 26719 1
216 . 1 . 1 58 58 ASN CB C 13 38.545 0.300 . 1 . . . . . 58 ASN CB . 26719 1
217 . 1 . 1 58 58 ASN N N 15 120.777 0.300 . 1 . . . . . 58 ASN N . 26719 1
218 . 1 . 1 59 59 SER H H 1 8.141 0.020 . 1 . . . . . 59 SER H . 26719 1
219 . 1 . 1 59 59 SER C C 13 174.745 0.300 . 1 . . . . . 59 SER C . 26719 1
220 . 1 . 1 59 59 SER CA C 13 58.643 0.300 . 1 . . . . . 59 SER CA . 26719 1
221 . 1 . 1 59 59 SER CB C 13 63.553 0.300 . 1 . . . . . 59 SER CB . 26719 1
222 . 1 . 1 59 59 SER N N 15 116.363 0.300 . 1 . . . . . 59 SER N . 26719 1
223 . 1 . 1 60 60 SER H H 1 8.205 0.020 . 1 . . . . . 60 SER H . 26719 1
224 . 1 . 1 60 60 SER C C 13 174.598 0.300 . 1 . . . . . 60 SER C . 26719 1
225 . 1 . 1 60 60 SER CA C 13 58.720 0.300 . 1 . . . . . 60 SER CA . 26719 1
226 . 1 . 1 60 60 SER CB C 13 63.658 0.300 . 1 . . . . . 60 SER CB . 26719 1
227 . 1 . 1 60 60 SER N N 15 118.002 0.300 . 1 . . . . . 60 SER N . 26719 1
228 . 1 . 1 61 61 ILE H H 1 7.935 0.020 . 1 . . . . . 61 ILE H . 26719 1
229 . 1 . 1 61 61 ILE C C 13 176.642 0.300 . 1 . . . . . 61 ILE C . 26719 1
230 . 1 . 1 61 61 ILE CA C 13 61.251 0.300 . 1 . . . . . 61 ILE CA . 26719 1
231 . 1 . 1 61 61 ILE CB C 13 38.392 0.300 . 1 . . . . . 61 ILE CB . 26719 1
232 . 1 . 1 61 61 ILE N N 15 122.246 0.300 . 1 . . . . . 61 ILE N . 26719 1
233 . 1 . 1 62 62 THR H H 1 8.023 0.020 . 1 . . . . . 62 THR H . 26719 1
234 . 1 . 1 62 62 THR C C 13 174.519 0.300 . 1 . . . . . 62 THR C . 26719 1
235 . 1 . 1 62 62 THR CA C 13 61.865 0.300 . 1 . . . . . 62 THR CA . 26719 1
236 . 1 . 1 62 62 THR CB C 13 69.536 0.300 . 1 . . . . . 62 THR CB . 26719 1
237 . 1 . 1 62 62 THR N N 15 118.777 0.300 . 1 . . . . . 62 THR N . 26719 1
238 . 1 . 1 63 63 LYS H H 1 8.200 0.020 . 1 . . . . . 63 LYS H . 26719 1
239 . 1 . 1 63 63 LYS C C 13 176.652 0.300 . 1 . . . . . 63 LYS C . 26719 1
240 . 1 . 1 63 63 LYS CA C 13 56.265 0.300 . 1 . . . . . 63 LYS CA . 26719 1
241 . 1 . 1 63 63 LYS CB C 13 32.562 0.300 . 1 . . . . . 63 LYS CB . 26719 1
242 . 1 . 1 63 63 LYS N N 15 124.590 0.300 . 1 . . . . . 63 LYS N . 26719 1
243 . 1 . 1 64 64 LYS H H 1 8.268 0.020 . 1 . . . . . 64 LYS H . 26719 1
244 . 1 . 1 64 64 LYS C C 13 177.318 0.300 . 1 . . . . . 64 LYS C . 26719 1
245 . 1 . 1 64 64 LYS CA C 13 56.649 0.300 . 1 . . . . . 64 LYS CA . 26719 1
246 . 1 . 1 64 64 LYS CB C 13 32.583 0.300 . 1 . . . . . 64 LYS CB . 26719 1
247 . 1 . 1 64 64 LYS N N 15 123.448 0.300 . 1 . . . . . 64 LYS N . 26719 1
248 . 1 . 1 65 65 GLY H H 1 8.336 0.020 . 1 . . . . . 65 GLY H . 26719 1
249 . 1 . 1 65 65 GLY C C 13 174.203 0.300 . 1 . . . . . 65 GLY C . 26719 1
250 . 1 . 1 65 65 GLY CA C 13 45.146 0.300 . 1 . . . . . 65 GLY CA . 26719 1
251 . 1 . 1 65 65 GLY N N 15 110.626 0.300 . 1 . . . . . 65 GLY N . 26719 1
252 . 1 . 1 66 66 SER H H 1 8.038 0.020 . 1 . . . . . 66 SER H . 26719 1
253 . 1 . 1 66 66 SER C C 13 174.688 0.300 . 1 . . . . . 66 SER C . 26719 1
254 . 1 . 1 66 66 SER CA C 13 58.260 0.300 . 1 . . . . . 66 SER CA . 26719 1
255 . 1 . 1 66 66 SER CB C 13 63.783 0.300 . 1 . . . . . 66 SER CB . 26719 1
256 . 1 . 1 66 66 SER N N 15 115.637 0.300 . 1 . . . . . 66 SER N . 26719 1
257 . 1 . 1 67 67 ARG H H 1 8.301 0.020 . 1 . . . . . 67 ARG H . 26719 1
258 . 1 . 1 67 67 ARG C C 13 176.494 0.300 . 1 . . . . . 67 ARG C . 26719 1
259 . 1 . 1 67 67 ARG CA C 13 55.936 0.300 . 1 . . . . . 67 ARG CA . 26719 1
260 . 1 . 1 67 67 ARG CB C 13 30.473 0.300 . 1 . . . . . 67 ARG CB . 26719 1
261 . 1 . 1 67 67 ARG N N 15 123.100 0.300 . 1 . . . . . 67 ARG N . 26719 1
262 . 1 . 1 68 68 ARG H H 1 8.291 0.020 . 1 . . . . . 68 ARG H . 26719 1
263 . 1 . 1 68 68 ARG C C 13 176.511 0.300 . 1 . . . . . 68 ARG C . 26719 1
264 . 1 . 1 68 68 ARG CA C 13 56.164 0.300 . 1 . . . . . 68 ARG CA . 26719 1
265 . 1 . 1 68 68 ARG CB C 13 30.310 0.300 . 1 . . . . . 68 ARG CB . 26719 1
266 . 1 . 1 68 68 ARG N N 15 122.867 0.300 . 1 . . . . . 68 ARG N . 26719 1
267 . 1 . 1 69 69 SER H H 1 8.311 0.020 . 1 . . . . . 69 SER H . 26719 1
268 . 1 . 1 69 69 SER C C 13 174.790 0.300 . 1 . . . . . 69 SER C . 26719 1
269 . 1 . 1 69 69 SER CA C 13 58.413 0.300 . 1 . . . . . 69 SER CA . 26719 1
270 . 1 . 1 69 69 SER CB C 13 63.629 0.300 . 1 . . . . . 69 SER CB . 26719 1
271 . 1 . 1 69 69 SER N N 15 117.629 0.300 . 1 . . . . . 69 SER N . 26719 1
272 . 1 . 1 70 70 SER H H 1 8.324 0.020 . 1 . . . . . 70 SER H . 26719 1
273 . 1 . 1 70 70 SER C C 13 175.086 0.300 . 1 . . . . . 70 SER C . 26719 1
274 . 1 . 1 70 70 SER CA C 13 58.490 0.300 . 1 . . . . . 70 SER CA . 26719 1
275 . 1 . 1 70 70 SER CB C 13 63.246 0.300 . 1 . . . . . 70 SER CB . 26719 1
276 . 1 . 1 70 70 SER N N 15 118.058 0.300 . 1 . . . . . 70 SER N . 26719 1
277 . 1 . 1 71 71 GLY H H 1 8.279 0.020 . 1 . . . . . 71 GLY H . 26719 1
278 . 1 . 1 71 71 GLY C C 13 174.124 0.300 . 1 . . . . . 71 GLY C . 26719 1
279 . 1 . 1 71 71 GLY CA C 13 45.142 0.300 . 1 . . . . . 71 GLY CA . 26719 1
280 . 1 . 1 71 71 GLY N N 15 110.758 0.300 . 1 . . . . . 71 GLY N . 26719 1
281 . 1 . 1 72 72 SER H H 1 8.041 0.020 . 1 . . . . . 72 SER H . 26719 1
282 . 1 . 1 72 72 SER C C 13 174.327 0.300 . 1 . . . . . 72 SER C . 26719 1
283 . 1 . 1 72 72 SER CA C 13 58.106 0.300 . 1 . . . . . 72 SER CA . 26719 1
284 . 1 . 1 72 72 SER CB C 13 63.936 0.300 . 1 . . . . . 72 SER CB . 26719 1
285 . 1 . 1 72 72 SER N N 15 115.472 0.300 . 1 . . . . . 72 SER N . 26719 1
286 . 1 . 1 73 73 SER H H 1 8.242 0.020 . 1 . . . . . 73 SER H . 26719 1
287 . 1 . 1 73 73 SER C C 13 172.814 0.300 . 1 . . . . . 73 SER C . 26719 1
288 . 1 . 1 73 73 SER CA C 13 56.489 0.300 . 1 . . . . . 73 SER CA . 26719 1
289 . 1 . 1 73 73 SER CB C 13 63.166 0.300 . 1 . . . . . 73 SER CB . 26719 1
290 . 1 . 1 73 73 SER N N 15 118.909 0.300 . 1 . . . . . 73 SER N . 26719 1
291 . 1 . 1 75 75 THR H H 1 8.076 0.020 . 1 . . . . . 75 THR H . 26719 1
292 . 1 . 1 75 75 THR C C 13 174.519 0.300 . 1 . . . . . 75 THR C . 26719 1
293 . 1 . 1 75 75 THR CA C 13 61.942 0.300 . 1 . . . . . 75 THR CA . 26719 1
294 . 1 . 1 75 75 THR CB C 13 69.613 0.300 . 1 . . . . . 75 THR CB . 26719 1
295 . 1 . 1 75 75 THR N N 15 114.816 0.300 . 1 . . . . . 75 THR N . 26719 1
296 . 1 . 1 76 76 ARG H H 1 8.158 0.020 . 1 . . . . . 76 ARG H . 26719 1
297 . 1 . 1 76 76 ARG C C 13 175.930 0.300 . 1 . . . . . 76 ARG C . 26719 1
298 . 1 . 1 76 76 ARG CA C 13 55.805 0.300 . 1 . . . . . 76 ARG CA . 26719 1
299 . 1 . 1 76 76 ARG CB C 13 30.414 0.300 . 1 . . . . . 76 ARG CB . 26719 1
300 . 1 . 1 76 76 ARG N N 15 123.723 0.300 . 1 . . . . . 76 ARG N . 26719 1
301 . 1 . 1 77 77 HIS H H 1 8.287 0.020 . 1 . . . . . 77 HIS H . 26719 1
302 . 1 . 1 77 77 HIS C C 13 175.425 0.300 . 1 . . . . . 77 HIS C . 26719 1
303 . 1 . 1 77 77 HIS CA C 13 55.946 0.300 . 1 . . . . . 77 HIS CA . 26719 1
304 . 1 . 1 77 77 HIS CB C 13 30.259 0.300 . 1 . . . . . 77 HIS CB . 26719 1
305 . 1 . 1 77 77 HIS N N 15 121.349 0.300 . 1 . . . . . 77 HIS N . 26719 1
306 . 1 . 1 78 78 THR H H 1 8.023 0.020 . 1 . . . . . 78 THR H . 26719 1
307 . 1 . 1 78 78 THR C C 13 174.417 0.300 . 1 . . . . . 78 THR C . 26719 1
308 . 1 . 1 78 78 THR CA C 13 61.712 0.300 . 1 . . . . . 78 THR CA . 26719 1
309 . 1 . 1 78 78 THR CB C 13 69.766 0.300 . 1 . . . . . 78 THR CB . 26719 1
310 . 1 . 1 78 78 THR N N 15 116.199 0.300 . 1 . . . . . 78 THR N . 26719 1
311 . 1 . 1 79 79 THR H H 1 8.088 0.020 . 1 . . . . . 79 THR H . 26719 1
312 . 1 . 1 79 79 THR C C 13 174.248 0.300 . 1 . . . . . 79 THR C . 26719 1
313 . 1 . 1 79 79 THR CA C 13 61.869 0.300 . 1 . . . . . 79 THR CA . 26719 1
314 . 1 . 1 79 79 THR CB C 13 69.400 0.300 . 1 . . . . . 79 THR CB . 26719 1
315 . 1 . 1 79 79 THR N N 15 117.488 0.300 . 1 . . . . . 79 THR N . 26719 1
316 . 1 . 1 80 80 ARG H H 1 8.241 0.020 . 1 . . . . . 80 ARG H . 26719 1
317 . 1 . 1 80 80 ARG C C 13 176.054 0.300 . 1 . . . . . 80 ARG C . 26719 1
318 . 1 . 1 80 80 ARG CA C 13 55.921 0.300 . 1 . . . . . 80 ARG CA . 26719 1
319 . 1 . 1 80 80 ARG CB C 13 30.529 0.300 . 1 . . . . . 80 ARG CB . 26719 1
320 . 1 . 1 80 80 ARG N N 15 124.661 0.300 . 1 . . . . . 80 ARG N . 26719 1
321 . 1 . 1 81 81 VAL H H 1 8.176 0.020 . 1 . . . . . 81 VAL H . 26719 1
322 . 1 . 1 81 81 VAL C C 13 176.100 0.300 . 1 . . . . . 81 VAL C . 26719 1
323 . 1 . 1 81 81 VAL CA C 13 62.344 0.300 . 1 . . . . . 81 VAL CA . 26719 1
324 . 1 . 1 81 81 VAL CB C 13 32.413 0.300 . 1 . . . . . 81 VAL CB . 26719 1
325 . 1 . 1 81 81 VAL N N 15 122.949 0.300 . 1 . . . . . 81 VAL N . 26719 1
326 . 1 . 1 82 82 CYS H H 1 8.358 0.020 . 1 . . . . . 82 CYS H . 26719 1
327 . 1 . 1 82 82 CYS C C 13 173.684 0.300 . 1 . . . . . 82 CYS C . 26719 1
328 . 1 . 1 82 82 CYS CA C 13 58.335 0.300 . 1 . . . . . 82 CYS CA . 26719 1
329 . 1 . 1 82 82 CYS CB C 13 27.957 0.300 . 1 . . . . . 82 CYS CB . 26719 1
330 . 1 . 1 82 82 CYS N N 15 124.614 0.300 . 1 . . . . . 82 CYS N . 26719 1
331 . 1 . 1 83 83 VAL H H 1 7.683 0.020 . 1 . . . . . 83 VAL H . 26719 1
332 . 1 . 1 83 83 VAL C C 13 181.055 0.300 . 1 . . . . . 83 VAL C . 26719 1
333 . 1 . 1 83 83 VAL CA C 13 63.659 0.300 . 1 . . . . . 83 VAL CA . 26719 1
334 . 1 . 1 83 83 VAL CB C 13 32.780 0.300 . 1 . . . . . 83 VAL CB . 26719 1
335 . 1 . 1 83 83 VAL N N 15 126.512 0.300 . 1 . . . . . 83 VAL N . 26719 1
stop_
save_