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 11420
_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 .
_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' 1 $sample_1 isotropic 11420 1
2 '2D 1H-13C HSQC' 1 $sample_1 isotropic 11420 1
5 '3D HNCO' 1 $sample_1 isotropic 11420 1
7 '3D H(CCO)NH' 1 $sample_1 isotropic 11420 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 2 2 SER HA H 1 4.414 . . 1 . . . A 2 SER HA . 11420 1
2 . 1 1 2 2 SER HB2 H 1 3.794 . . 1 . . . A 2 SER HB2 . 11420 1
3 . 1 1 2 2 SER HB3 H 1 3.794 . . 1 . . . A 2 SER HB3 . 11420 1
4 . 1 1 2 2 SER C C 13 174.300 . . 1 . . . A 2 SER C . 11420 1
5 . 1 1 2 2 SER CA C 13 58.267 . . 1 . . . A 2 SER CA . 11420 1
6 . 1 1 2 2 SER CB C 13 63.770 . . 1 . . . A 2 SER CB . 11420 1
7 . 1 1 3 3 ASP H H 1 8.699 . . 1 . . . A 3 ASP H . 11420 1
8 . 1 1 3 3 ASP HA H 1 4.532 . . 1 . . . A 3 ASP HA . 11420 1
9 . 1 1 3 3 ASP HB2 H 1 2.637 . . 2 . . . A 3 ASP HB2 . 11420 1
10 . 1 1 3 3 ASP HB3 H 1 2.583 . . 2 . . . A 3 ASP HB3 . 11420 1
11 . 1 1 3 3 ASP C C 13 176.100 . . 1 . . . A 3 ASP C . 11420 1
12 . 1 1 3 3 ASP CA C 13 54.770 . . 1 . . . A 3 ASP CA . 11420 1
13 . 1 1 3 3 ASP CB C 13 41.099 . . 1 . . . A 3 ASP CB . 11420 1
14 . 1 1 3 3 ASP N N 15 122.939 . . 1 . . . A 3 ASP N . 11420 1
15 . 1 1 4 4 ALA H H 1 8.175 . . 1 . . . A 4 ALA H . 11420 1
16 . 1 1 4 4 ALA HA H 1 4.281 . . 1 . . . A 4 ALA HA . 11420 1
17 . 1 1 4 4 ALA HB1 H 1 1.294 . . 1 . . . A 4 ALA HB1 . 11420 1
18 . 1 1 4 4 ALA HB2 H 1 1.294 . . 1 . . . A 4 ALA HB2 . 11420 1
19 . 1 1 4 4 ALA HB3 H 1 1.294 . . 1 . . . A 4 ALA HB3 . 11420 1
20 . 1 1 4 4 ALA C C 13 177.500 . . 1 . . . A 4 ALA C . 11420 1
21 . 1 1 4 4 ALA CA C 13 52.779 . . 1 . . . A 4 ALA CA . 11420 1
22 . 1 1 4 4 ALA CB C 13 19.040 . . 1 . . . A 4 ALA CB . 11420 1
23 . 1 1 4 4 ALA N N 15 124.228 . . 1 . . . A 4 ALA N . 11420 1
24 . 1 1 5 5 VAL H H 1 8.001 . . 1 . . . A 5 VAL H . 11420 1
25 . 1 1 5 5 VAL HA H 1 3.916 . . 1 . . . A 5 VAL HA . 11420 1
26 . 1 1 5 5 VAL HB H 1 1.950 . . 1 . . . A 5 VAL HB . 11420 1
27 . 1 1 5 5 VAL HG11 H 1 0.824 . . 2 . . . A 5 VAL HG11 . 11420 1
28 . 1 1 5 5 VAL HG12 H 1 0.824 . . 2 . . . A 5 VAL HG12 . 11420 1
29 . 1 1 5 5 VAL HG13 H 1 0.824 . . 2 . . . A 5 VAL HG13 . 11420 1
30 . 1 1 5 5 VAL HG21 H 1 0.708 . . 2 . . . A 5 VAL HG21 . 11420 1
31 . 1 1 5 5 VAL HG22 H 1 0.708 . . 2 . . . A 5 VAL HG22 . 11420 1
32 . 1 1 5 5 VAL HG23 H 1 0.708 . . 2 . . . A 5 VAL HG23 . 11420 1
33 . 1 1 5 5 VAL C C 13 176.700 . . 1 . . . A 5 VAL C . 11420 1
34 . 1 1 5 5 VAL CA C 13 63.500 . . 1 . . . A 5 VAL CA . 11420 1
35 . 1 1 5 5 VAL CB C 13 32.490 . . 1 . . . A 5 VAL CB . 11420 1
36 . 1 1 5 5 VAL CG1 C 13 21.105 . . 2 . . . A 5 VAL CG1 . 11420 1
37 . 1 1 5 5 VAL CG2 C 13 21.132 . . 2 . . . A 5 VAL CG2 . 11420 1
38 . 1 1 5 5 VAL N N 15 118.460 . . 1 . . . A 5 VAL N . 11420 1
39 . 1 1 6 6 PHE H H 1 8.419 . . 1 . . . A 6 PHE H . 11420 1
40 . 1 1 6 6 PHE HA H 1 4.502 . . 1 . . . A 6 PHE HA . 11420 1
41 . 1 1 6 6 PHE HB2 H 1 3.108 . . 2 . . . A 6 PHE HB2 . 11420 1
42 . 1 1 6 6 PHE HB3 H 1 3.108 . . 2 . . . A 6 PHE HB3 . 11420 1
43 . 1 1 6 6 PHE HD1 H 1 7.319 . . 3 . . . A 6 PHE HD1 . 11420 1
44 . 1 1 6 6 PHE HD2 H 1 7.319 . . 3 . . . A 6 PHE HD2 . 11420 1
45 . 1 1 6 6 PHE HE1 H 1 7.079 . . 3 . . . A 6 PHE HE1 . 11420 1
46 . 1 1 6 6 PHE HE2 H 1 7.079 . . 3 . . . A 6 PHE HE2 . 11420 1
47 . 1 1 6 6 PHE C C 13 176.400 . . 1 . . . A 6 PHE C . 11420 1
48 . 1 1 6 6 PHE CA C 13 59.340 . . 1 . . . A 6 PHE CA . 11420 1
49 . 1 1 6 6 PHE CB C 13 39.276 . . 1 . . . A 6 PHE CB . 11420 1
50 . 1 1 6 6 PHE CD1 C 13 131.610 . . 3 . . . A 6 PHE CD1 . 11420 1
51 . 1 1 6 6 PHE CD2 C 13 131.610 . . 3 . . . A 6 PHE CD2 . 11420 1
52 . 1 1 6 6 PHE CE1 C 13 129.281 . . 3 . . . A 6 PHE CE1 . 11420 1
53 . 1 1 6 6 PHE CE2 C 13 129.281 . . 3 . . . A 6 PHE CE2 . 11420 1
54 . 1 1 6 6 PHE N N 15 121.868 . . 1 . . . A 6 PHE N . 11420 1
55 . 1 1 7 7 THR H H 1 8.173 . . 1 . . . A 7 THR H . 11420 1
56 . 1 1 7 7 THR HA H 1 4.030 . . 1 . . . A 7 THR HA . 11420 1
57 . 1 1 7 7 THR HB H 1 4.184 . . 1 . . . A 7 THR HB . 11420 1
58 . 1 1 7 7 THR HG21 H 1 1.165 . . 1 . . . A 7 THR HG21 . 11420 1
59 . 1 1 7 7 THR HG22 H 1 1.165 . . 1 . . . A 7 THR HG22 . 11420 1
60 . 1 1 7 7 THR HG23 H 1 1.165 . . 1 . . . A 7 THR HG23 . 11420 1
61 . 1 1 7 7 THR C C 13 175.200 . . 1 . . . A 7 THR C . 11420 1
62 . 1 1 7 7 THR CA C 13 63.850 . . 1 . . . A 7 THR CA . 11420 1
63 . 1 1 7 7 THR CB C 13 68.980 . . 1 . . . A 7 THR CB . 11420 1
64 . 1 1 7 7 THR CG2 C 13 22.070 . . 1 . . . A 7 THR CG2 . 11420 1
65 . 1 1 7 7 THR N N 15 114.505 . . 1 . . . A 7 THR N . 11420 1
66 . 1 1 8 8 ASP H H 1 8.423 . . 1 . . . A 8 ASP H . 11420 1
67 . 1 1 8 8 ASP HA H 1 4.474 . . 1 . . . A 8 ASP HA . 11420 1
68 . 1 1 8 8 ASP HB2 H 1 2.723 . . 2 . . . A 8 ASP HB2 . 11420 1
69 . 1 1 8 8 ASP HB3 H 1 2.637 . . 2 . . . A 8 ASP HB3 . 11420 1
70 . 1 1 8 8 ASP C C 13 177.100 . . 1 . . . A 8 ASP C . 11420 1
71 . 1 1 8 8 ASP CA C 13 55.570 . . 1 . . . A 8 ASP CA . 11420 1
72 . 1 1 8 8 ASP CB C 13 40.895 . . 1 . . . A 8 ASP CB . 11420 1
73 . 1 1 8 8 ASP N N 15 121.959 . . 1 . . . A 8 ASP N . 11420 1
74 . 1 1 9 9 ASN H H 1 8.119 . . 1 . . . A 9 ASN H . 11420 1
75 . 1 1 9 9 ASN HA H 1 4.465 . . 1 . . . A 9 ASN HA . 11420 1
76 . 1 1 9 9 ASN HB2 H 1 2.675 . . 2 . . . A 9 ASN HB2 . 11420 1
77 . 1 1 9 9 ASN HB3 H 1 2.482 . . 2 . . . A 9 ASN HB3 . 11420 1
78 . 1 1 9 9 ASN HD21 H 1 7.707 . . 2 . . . A 9 ASN HD21 . 11420 1
79 . 1 1 9 9 ASN HD22 H 1 7.157 . . 2 . . . A 9 ASN HD22 . 11420 1
80 . 1 1 9 9 ASN C C 13 176.300 . . 1 . . . A 9 ASN C . 11420 1
81 . 1 1 9 9 ASN CA C 13 55.700 . . 1 . . . A 9 ASN CA . 11420 1
82 . 1 1 9 9 ASN CB C 13 39.100 . . 1 . . . A 9 ASN CB . 11420 1
83 . 1 1 9 9 ASN N N 15 117.704 . . 1 . . . A 9 ASN N . 11420 1
84 . 1 1 9 9 ASN ND2 N 15 114.072 . . 1 . . . A 9 ASN ND2 . 11420 1
85 . 1 1 10 10 TYR H H 1 8.387 . . 1 . . . A 10 TYR H . 11420 1
86 . 1 1 10 10 TYR HA H 1 4.169 . . 1 . . . A 10 TYR HA . 11420 1
87 . 1 1 10 10 TYR HB2 H 1 3.030 . . 2 . . . A 10 TYR HB2 . 11420 1
88 . 1 1 10 10 TYR HB3 H 1 2.937 . . 2 . . . A 10 TYR HB3 . 11420 1
89 . 1 1 10 10 TYR HD1 H 1 6.844 . . 3 . . . A 10 TYR HD1 . 11420 1
90 . 1 1 10 10 TYR HD2 H 1 6.844 . . 3 . . . A 10 TYR HD2 . 11420 1
91 . 1 1 10 10 TYR HE1 H 1 7.088 . . 3 . . . A 10 TYR HE1 . 11420 1
92 . 1 1 10 10 TYR HE2 H 1 7.088 . . 3 . . . A 10 TYR HE2 . 11420 1
93 . 1 1 10 10 TYR C C 13 176.700 . . 1 . . . A 10 TYR C . 11420 1
94 . 1 1 10 10 TYR CA C 13 60.672 . . 1 . . . A 10 TYR CA . 11420 1
95 . 1 1 10 10 TYR CB C 13 38.019 . . 1 . . . A 10 TYR CB . 11420 1
96 . 1 1 10 10 TYR CD1 C 13 132.465 . . 3 . . . A 10 TYR CD1 . 11420 1
97 . 1 1 10 10 TYR CD2 C 13 132.465 . . 3 . . . A 10 TYR CD2 . 11420 1
98 . 1 1 10 10 TYR CE1 C 13 118.108 . . 3 . . . A 10 TYR CE1 . 11420 1
99 . 1 1 10 10 TYR CE2 C 13 118.108 . . 3 . . . A 10 TYR CE2 . 11420 1
100 . 1 1 10 10 TYR N N 15 120.264 . . 1 . . . A 10 TYR N . 11420 1
101 . 1 1 11 11 THR H H 1 8.148 . . 1 . . . A 11 THR H . 11420 1
102 . 1 1 11 11 THR HA H 1 3.693 . . 1 . . . A 11 THR HA . 11420 1
103 . 1 1 11 11 THR HB H 1 4.196 . . 1 . . . A 11 THR HB . 11420 1
104 . 1 1 11 11 THR HG21 H 1 1.185 . . 1 . . . A 11 THR HG21 . 11420 1
105 . 1 1 11 11 THR HG22 H 1 1.185 . . 1 . . . A 11 THR HG22 . 11420 1
106 . 1 1 11 11 THR HG23 H 1 1.185 . . 1 . . . A 11 THR HG23 . 11420 1
107 . 1 1 11 11 THR C C 13 176.200 . . 1 . . . A 11 THR C . 11420 1
108 . 1 1 11 11 THR CA C 13 65.929 . . 1 . . . A 11 THR CA . 11420 1
109 . 1 1 11 11 THR CB C 13 68.681 . . 1 . . . A 11 THR CB . 11420 1
110 . 1 1 11 11 THR CG2 C 13 21.991 . . 1 . . . A 11 THR CG2 . 11420 1
111 . 1 1 11 11 THR N N 15 114.920 . . 1 . . . A 11 THR N . 11420 1
112 . 1 1 12 12 ARG H H 1 7.854 . . 1 . . . A 12 ARG H . 11420 1
113 . 1 1 12 12 ARG HA H 1 3.925 . . 1 . . . A 12 ARG HA . 11420 1
114 . 1 1 12 12 ARG HB2 H 1 1.828 . . 1 . . . A 12 ARG HB2 . 11420 1
115 . 1 1 12 12 ARG HB3 H 1 1.828 . . 1 . . . A 12 ARG HB3 . 11420 1
116 . 1 1 12 12 ARG HG2 H 1 1.651 . . 1 . . . A 12 ARG HG2 . 11420 1
117 . 1 1 12 12 ARG HG3 H 1 1.651 . . 1 . . . A 12 ARG HG3 . 11420 1
118 . 1 1 12 12 ARG HD2 H 1 3.138 . . 1 . . . A 12 ARG HD2 . 11420 1
119 . 1 1 12 12 ARG HD3 H 1 3.138 . . 1 . . . A 12 ARG HD3 . 11420 1
120 . 1 1 12 12 ARG C C 13 178.200 . . 1 . . . A 12 ARG C . 11420 1
121 . 1 1 12 12 ARG CA C 13 59.200 . . 1 . . . A 12 ARG CA . 11420 1
122 . 1 1 12 12 ARG CB C 13 30.400 . . 1 . . . A 12 ARG CB . 11420 1
123 . 1 1 12 12 ARG CG C 13 27.428 . . 1 . . . A 12 ARG CG . 11420 1
124 . 1 1 12 12 ARG CD C 13 43.489 . . 1 . . . A 12 ARG CD . 11420 1
125 . 1 1 12 12 ARG N N 15 120.422 . . 1 . . . A 12 ARG N . 11420 1
126 . 1 1 13 13 LEU H H 1 7.941 . . 1 . . . A 13 LEU H . 11420 1
127 . 1 1 13 13 LEU HA H 1 4.028 . . 1 . . . A 13 LEU HA . 11420 1
128 . 1 1 13 13 LEU HB2 H 1 1.541 . . 2 . . . A 13 LEU HB2 . 11420 1
129 . 1 1 13 13 LEU HB3 H 1 1.729 . . 2 . . . A 13 LEU HB3 . 11420 1
130 . 1 1 13 13 LEU HG H 1 1.670 . . 1 . . . A 13 LEU HG . 11420 1
131 . 1 1 13 13 LEU HD11 H 1 0.853 . . 2 . . . A 13 LEU HD11 . 11420 1
132 . 1 1 13 13 LEU HD12 H 1 0.853 . . 2 . . . A 13 LEU HD12 . 11420 1
133 . 1 1 13 13 LEU HD13 H 1 0.853 . . 2 . . . A 13 LEU HD13 . 11420 1
134 . 1 1 13 13 LEU HD21 H 1 0.829 . . 2 . . . A 13 LEU HD21 . 11420 1
135 . 1 1 13 13 LEU HD22 H 1 0.829 . . 2 . . . A 13 LEU HD22 . 11420 1
136 . 1 1 13 13 LEU HD23 H 1 0.829 . . 2 . . . A 13 LEU HD23 . 11420 1
137 . 1 1 13 13 LEU C C 13 178.300 . . 1 . . . A 13 LEU C . 11420 1
138 . 1 1 13 13 LEU CA C 13 57.472 . . 1 . . . A 13 LEU CA . 11420 1
139 . 1 1 13 13 LEU CB C 13 41.786 . . 1 . . . A 13 LEU CB . 11420 1
140 . 1 1 13 13 LEU CG C 13 27.263 . . 1 . . . A 13 LEU CG . 11420 1
141 . 1 1 13 13 LEU CD1 C 13 25.008 . . 2 . . . A 13 LEU CD1 . 11420 1
142 . 1 1 13 13 LEU CD2 C 13 24.244 . . 2 . . . A 13 LEU CD2 . 11420 1
143 . 1 1 13 13 LEU N N 15 119.662 . . 1 . . . A 13 LEU N . 11420 1
144 . 1 1 14 14 ARG H H 1 8.048 . . 1 . . . A 14 ARG H . 11420 1
145 . 1 1 14 14 ARG HA H 1 3.899 . . 1 . . . A 14 ARG HA . 11420 1
146 . 1 1 14 14 ARG HB2 H 1 1.677 . . 1 . . . A 14 ARG HB2 . 11420 1
147 . 1 1 14 14 ARG HB3 H 1 1.677 . . 1 . . . A 14 ARG HB3 . 11420 1
148 . 1 1 14 14 ARG HG2 H 1 1.494 . . 1 . . . A 14 ARG HG2 . 11420 1
149 . 1 1 14 14 ARG HG3 H 1 1.494 . . 1 . . . A 14 ARG HG3 . 11420 1
150 . 1 1 14 14 ARG HD2 H 1 3.021 . . 1 . . . A 14 ARG HD2 . 11420 1
151 . 1 1 14 14 ARG HD3 H 1 3.021 . . 1 . . . A 14 ARG HD3 . 11420 1
152 . 1 1 14 14 ARG C C 13 178.000 . . 1 . . . A 14 ARG C . 11420 1
153 . 1 1 14 14 ARG CA C 13 58.500 . . 1 . . . A 14 ARG CA . 11420 1
154 . 1 1 14 14 ARG CB C 13 29.431 . . 1 . . . A 14 ARG CB . 11420 1
155 . 1 1 14 14 ARG CG C 13 27.441 . . 1 . . . A 14 ARG CG . 11420 1
156 . 1 1 14 14 ARG CD C 13 43.035 . . 1 . . . A 14 ARG CD . 11420 1
157 . 1 1 14 14 ARG N N 15 117.431 . . 1 . . . A 14 ARG N . 11420 1
158 . 1 1 15 15 LYS H H 1 7.685 . . 1 . . . A 15 LYS H . 11420 1
159 . 1 1 15 15 LYS HA H 1 4.129 . . 1 . . . A 15 LYS HA . 11420 1
160 . 1 1 15 15 LYS HB2 H 1 1.836 . . 1 . . . A 15 LYS HB2 . 11420 1
161 . 1 1 15 15 LYS HB3 H 1 1.836 . . 1 . . . A 15 LYS HB3 . 11420 1
162 . 1 1 15 15 LYS HG2 H 1 1.517 . . 1 . . . A 15 LYS HG2 . 11420 1
163 . 1 1 15 15 LYS HG3 H 1 1.517 . . 1 . . . A 15 LYS HG3 . 11420 1
164 . 1 1 15 15 LYS HD2 H 1 1.599 . . 1 . . . A 15 LYS HD2 . 11420 1
165 . 1 1 15 15 LYS HD3 H 1 1.599 . . 1 . . . A 15 LYS HD3 . 11420 1
166 . 1 1 15 15 LYS HE2 H 1 2.866 . . 1 . . . A 15 LYS HE2 . 11420 1
167 . 1 1 15 15 LYS HE3 H 1 2.866 . . 1 . . . A 15 LYS HE3 . 11420 1
168 . 1 1 15 15 LYS C C 13 177.600 . . 1 . . . A 15 LYS C . 11420 1
169 . 1 1 15 15 LYS CA C 13 57.900 . . 1 . . . A 15 LYS CA . 11420 1
170 . 1 1 15 15 LYS CB C 13 32.700 . . 1 . . . A 15 LYS CB . 11420 1
171 . 1 1 15 15 LYS CG C 13 25.497 . . 1 . . . A 15 LYS CG . 11420 1
172 . 1 1 15 15 LYS CD C 13 29.195 . . 1 . . . A 15 LYS CD . 11420 1
173 . 1 1 15 15 LYS CE C 13 41.857 . . 1 . . . A 15 LYS CE . 11420 1
174 . 1 1 15 15 LYS N N 15 117.305 . . 1 . . . A 15 LYS N . 11420 1
175 . 1 1 16 16 GLN H H 1 7.897 . . 1 . . . A 16 GLN H . 11420 1
176 . 1 1 16 16 GLN HA H 1 4.112 . . 1 . . . A 16 GLN HA . 11420 1
177 . 1 1 16 16 GLN HB2 H 1 2.147 . . 1 . . . A 16 GLN HB2 . 11420 1
178 . 1 1 16 16 GLN HB3 H 1 2.147 . . 1 . . . A 16 GLN HB3 . 11420 1
179 . 1 1 16 16 GLN HG2 H 1 2.405 . . 2 . . . A 16 GLN HG2 . 11420 1
180 . 1 1 16 16 GLN HG3 H 1 2.378 . . 2 . . . A 16 GLN HG3 . 11420 1
181 . 1 1 16 16 GLN HE21 H 1 7.385 . . 2 . . . A 16 GLN HE21 . 11420 1
182 . 1 1 16 16 GLN HE22 H 1 6.851 . . 2 . . . A 16 GLN HE22 . 11420 1
183 . 1 1 16 16 GLN C C 13 177.100 . . 1 . . . A 16 GLN C . 11420 1
184 . 1 1 16 16 GLN CA C 13 57.400 . . 1 . . . A 16 GLN CA . 11420 1
185 . 1 1 16 16 GLN CB C 13 28.618 . . 1 . . . A 16 GLN CB . 11420 1
186 . 1 1 16 16 GLN CG C 13 33.960 . . 1 . . . A 16 GLN CG . 11420 1
187 . 1 1 16 16 GLN N N 15 118.231 . . 1 . . . A 16 GLN N . 11420 1
188 . 1 1 16 16 GLN NE2 N 15 110.796 . . 1 . . . A 16 GLN NE2 . 11420 1
189 . 1 1 17 17 MET H H 1 8.229 . . 1 . . . A 17 MET H . 11420 1
190 . 1 1 17 17 MET HA H 1 4.201 . . 1 . . . A 17 MET HA . 11420 1
191 . 1 1 17 17 MET HB2 H 1 2.075 . . 1 . . . A 17 MET HB2 . 11420 1
192 . 1 1 17 17 MET HB3 H 1 2.075 . . 1 . . . A 17 MET HB3 . 11420 1
193 . 1 1 17 17 MET HG2 H 1 2.587 . . 1 . . . A 17 MET HG2 . 11420 1
194 . 1 1 17 17 MET HG3 H 1 2.587 . . 1 . . . A 17 MET HG3 . 11420 1
195 . 1 1 17 17 MET C C 13 176.900 . . 1 . . . A 17 MET C . 11420 1
196 . 1 1 17 17 MET CA C 13 57.148 . . 1 . . . A 17 MET CA . 11420 1
197 . 1 1 17 17 MET CB C 13 32.528 . . 1 . . . A 17 MET CB . 11420 1
198 . 1 1 17 17 MET CG C 13 32.277 . . 1 . . . A 17 MET CG . 11420 1
199 . 1 1 17 17 MET N N 15 119.594 . . 1 . . . A 17 MET N . 11420 1
200 . 1 1 18 18 ALA H H 1 8.230 . . 1 . . . A 18 ALA H . 11420 1
201 . 1 1 18 18 ALA HA H 1 4.283 . . 1 . . . A 18 ALA HA . 11420 1
202 . 1 1 18 18 ALA HB1 H 1 1.442 . . 1 . . . A 18 ALA HB1 . 11420 1
203 . 1 1 18 18 ALA HB2 H 1 1.442 . . 1 . . . A 18 ALA HB2 . 11420 1
204 . 1 1 18 18 ALA HB3 H 1 1.442 . . 1 . . . A 18 ALA HB3 . 11420 1
205 . 1 1 18 18 ALA C C 13 179.000 . . 1 . . . A 18 ALA C . 11420 1
206 . 1 1 18 18 ALA CA C 13 53.900 . . 1 . . . A 18 ALA CA . 11420 1
207 . 1 1 18 18 ALA CB C 13 18.447 . . 1 . . . A 18 ALA CB . 11420 1
208 . 1 1 18 18 ALA N N 15 123.285 . . 1 . . . A 18 ALA N . 11420 1
209 . 1 1 19 19 VAL H H 1 7.913 . . 1 . . . A 19 VAL H . 11420 1
210 . 1 1 19 19 VAL HA H 1 3.710 . . 1 . . . A 19 VAL HA . 11420 1
211 . 1 1 19 19 VAL HB H 1 2.218 . . 1 . . . A 19 VAL HB . 11420 1
212 . 1 1 19 19 VAL HG11 H 1 1.017 . . 2 . . . A 19 VAL HG11 . 11420 1
213 . 1 1 19 19 VAL HG12 H 1 1.017 . . 2 . . . A 19 VAL HG12 . 11420 1
214 . 1 1 19 19 VAL HG13 H 1 1.017 . . 2 . . . A 19 VAL HG13 . 11420 1
215 . 1 1 19 19 VAL HG21 H 1 0.919 . . 2 . . . A 19 VAL HG21 . 11420 1
216 . 1 1 19 19 VAL HG22 H 1 0.919 . . 2 . . . A 19 VAL HG22 . 11420 1
217 . 1 1 19 19 VAL HG23 H 1 0.919 . . 2 . . . A 19 VAL HG23 . 11420 1
218 . 1 1 19 19 VAL C C 13 177.200 . . 1 . . . A 19 VAL C . 11420 1
219 . 1 1 19 19 VAL CA C 13 65.900 . . 1 . . . A 19 VAL CA . 11420 1
220 . 1 1 19 19 VAL CB C 13 31.876 . . 1 . . . A 19 VAL CB . 11420 1
221 . 1 1 19 19 VAL CG1 C 13 22.618 . . 2 . . . A 19 VAL CG1 . 11420 1
222 . 1 1 19 19 VAL CG2 C 13 21.605 . . 2 . . . A 19 VAL CG2 . 11420 1
223 . 1 1 19 19 VAL N N 15 118.166 . . 1 . . . A 19 VAL N . 11420 1
224 . 1 1 20 20 LYS H H 1 8.297 . . 1 . . . A 20 LYS H . 11420 1
225 . 1 1 20 20 LYS HA H 1 3.824 . . 1 . . . A 20 LYS HA . 11420 1
226 . 1 1 20 20 LYS HB2 H 1 1.820 . . 1 . . . A 20 LYS HB2 . 11420 1
227 . 1 1 20 20 LYS HB3 H 1 1.820 . . 1 . . . A 20 LYS HB3 . 11420 1
228 . 1 1 20 20 LYS HG2 H 1 1.522 . . 1 . . . A 20 LYS HG2 . 11420 1
229 . 1 1 20 20 LYS HG3 H 1 1.522 . . 1 . . . A 20 LYS HG3 . 11420 1
230 . 1 1 20 20 LYS HD2 H 1 1.599 . . 1 . . . A 20 LYS HD2 . 11420 1
231 . 1 1 20 20 LYS HD3 H 1 1.599 . . 1 . . . A 20 LYS HD3 . 11420 1
232 . 1 1 20 20 LYS HE2 H 1 2.889 . . 1 . . . A 20 LYS HE2 . 11420 1
233 . 1 1 20 20 LYS HE3 H 1 2.889 . . 1 . . . A 20 LYS HE3 . 11420 1
234 . 1 1 20 20 LYS C C 13 178.100 . . 1 . . . A 20 LYS C . 11420 1
235 . 1 1 20 20 LYS CA C 13 60.139 . . 1 . . . A 20 LYS CA . 11420 1
236 . 1 1 20 20 LYS CB C 13 32.107 . . 1 . . . A 20 LYS CB . 11420 1
237 . 1 1 20 20 LYS CG C 13 25.890 . . 1 . . . A 20 LYS CG . 11420 1
238 . 1 1 20 20 LYS CD C 13 29.284 . . 1 . . . A 20 LYS CD . 11420 1
239 . 1 1 20 20 LYS CE C 13 41.908 . . 1 . . . A 20 LYS CE . 11420 1
240 . 1 1 20 20 LYS N N 15 119.799 . . 1 . . . A 20 LYS N . 11420 1
241 . 1 1 21 21 LYS H H 1 8.040 . . 1 . . . A 21 LYS H . 11420 1
242 . 1 1 21 21 LYS HA H 1 3.986 . . 1 . . . A 21 LYS HA . 11420 1
243 . 1 1 21 21 LYS HB2 H 1 1.796 . . 1 . . . A 21 LYS HB2 . 11420 1
244 . 1 1 21 21 LYS HB3 H 1 1.796 . . 1 . . . A 21 LYS HB3 . 11420 1
245 . 1 1 21 21 LYS HG2 H 1 1.354 . . 1 . . . A 21 LYS HG2 . 11420 1
246 . 1 1 21 21 LYS HG3 H 1 1.354 . . 1 . . . A 21 LYS HG3 . 11420 1
247 . 1 1 21 21 LYS HD2 H 1 1.588 . . 1 . . . A 21 LYS HD2 . 11420 1
248 . 1 1 21 21 LYS HD3 H 1 1.588 . . 1 . . . A 21 LYS HD3 . 11420 1
249 . 1 1 21 21 LYS HE2 H 1 2.867 . . 1 . . . A 21 LYS HE2 . 11420 1
250 . 1 1 21 21 LYS HE3 H 1 2.867 . . 1 . . . A 21 LYS HE3 . 11420 1
251 . 1 1 21 21 LYS C C 13 179.000 . . 1 . . . A 21 LYS C . 11420 1
252 . 1 1 21 21 LYS CA C 13 59.248 . . 1 . . . A 21 LYS CA . 11420 1
253 . 1 1 21 21 LYS CB C 13 32.200 . . 1 . . . A 21 LYS CB . 11420 1
254 . 1 1 21 21 LYS CG C 13 25.208 . . 1 . . . A 21 LYS CG . 11420 1
255 . 1 1 21 21 LYS CD C 13 29.300 . . 1 . . . A 21 LYS CD . 11420 1
256 . 1 1 21 21 LYS CE C 13 41.970 . . 1 . . . A 21 LYS CE . 11420 1
257 . 1 1 21 21 LYS N N 15 118.250 . . 1 . . . A 21 LYS N . 11420 1
258 . 1 1 22 22 TYR H H 1 7.869 . . 1 . . . A 22 TYR H . 11420 1
259 . 1 1 22 22 TYR HA H 1 4.255 . . 1 . . . A 22 TYR HA . 11420 1
260 . 1 1 22 22 TYR HB2 H 1 3.012 . . 2 . . . A 22 TYR HB2 . 11420 1
261 . 1 1 22 22 TYR HB3 H 1 3.077 . . 2 . . . A 22 TYR HB3 . 11420 1
262 . 1 1 22 22 TYR HD1 H 1 7.118 . . 3 . . . A 22 TYR HD1 . 11420 1
263 . 1 1 22 22 TYR HD2 H 1 7.118 . . 3 . . . A 22 TYR HD2 . 11420 1
264 . 1 1 22 22 TYR HE1 H 1 6.861 . . 3 . . . A 22 TYR HE1 . 11420 1
265 . 1 1 22 22 TYR HE2 H 1 6.861 . . 3 . . . A 22 TYR HE2 . 11420 1
266 . 1 1 22 22 TYR C C 13 178.300 . . 1 . . . A 22 TYR C . 11420 1
267 . 1 1 22 22 TYR CA C 13 61.099 . . 1 . . . A 22 TYR CA . 11420 1
268 . 1 1 22 22 TYR CB C 13 38.543 . . 1 . . . A 22 TYR CB . 11420 1
269 . 1 1 22 22 TYR CD1 C 13 132.661 . . 3 . . . A 22 TYR CD1 . 11420 1
270 . 1 1 22 22 TYR CD2 C 13 132.661 . . 3 . . . A 22 TYR CD2 . 11420 1
271 . 1 1 22 22 TYR CE1 C 13 118.108 . . 3 . . . A 22 TYR CE1 . 11420 1
272 . 1 1 22 22 TYR CE2 C 13 118.108 . . 3 . . . A 22 TYR CE2 . 11420 1
273 . 1 1 22 22 TYR N N 15 119.687 . . 1 . . . A 22 TYR N . 11420 1
274 . 1 1 23 23 LEU H H 1 8.470 . . 1 . . . A 23 LEU H . 11420 1
275 . 1 1 23 23 LEU HA H 1 3.978 . . 1 . . . A 23 LEU HA . 11420 1
276 . 1 1 23 23 LEU HB2 H 1 1.837 . . 2 . . . A 23 LEU HB2 . 11420 1
277 . 1 1 23 23 LEU HB3 H 1 1.509 . . 2 . . . A 23 LEU HB3 . 11420 1
278 . 1 1 23 23 LEU HG H 1 1.869 . . 1 . . . A 23 LEU HG . 11420 1
279 . 1 1 23 23 LEU HD11 H 1 0.854 . . 2 . . . A 23 LEU HD11 . 11420 1
280 . 1 1 23 23 LEU HD12 H 1 0.854 . . 2 . . . A 23 LEU HD12 . 11420 1
281 . 1 1 23 23 LEU HD13 H 1 0.854 . . 2 . . . A 23 LEU HD13 . 11420 1
282 . 1 1 23 23 LEU HD21 H 1 0.858 . . 2 . . . A 23 LEU HD21 . 11420 1
283 . 1 1 23 23 LEU HD22 H 1 0.858 . . 2 . . . A 23 LEU HD22 . 11420 1
284 . 1 1 23 23 LEU HD23 H 1 0.858 . . 2 . . . A 23 LEU HD23 . 11420 1
285 . 1 1 23 23 LEU C C 13 178.400 . . 1 . . . A 23 LEU C . 11420 1
286 . 1 1 23 23 LEU CA C 13 57.600 . . 1 . . . A 23 LEU CA . 11420 1
287 . 1 1 23 23 LEU CB C 13 41.528 . . 1 . . . A 23 LEU CB . 11420 1
288 . 1 1 23 23 LEU CG C 13 27.009 . . 1 . . . A 23 LEU CG . 11420 1
289 . 1 1 23 23 LEU CD1 C 13 25.699 . . 2 . . . A 23 LEU CD1 . 11420 1
290 . 1 1 23 23 LEU CD2 C 13 23.513 . . 2 . . . A 23 LEU CD2 . 11420 1
291 . 1 1 23 23 LEU N N 15 118.748 . . 1 . . . A 23 LEU N . 11420 1
292 . 1 1 24 24 ASN H H 1 8.321 . . 1 . . . A 24 ASN H . 11420 1
293 . 1 1 24 24 ASN HA H 1 4.328 . . 1 . . . A 24 ASN HA . 11420 1
294 . 1 1 24 24 ASN HB2 H 1 2.774 . . 1 . . . A 24 ASN HB2 . 11420 1
295 . 1 1 24 24 ASN HB3 H 1 2.774 . . 1 . . . A 24 ASN HB3 . 11420 1
296 . 1 1 24 24 ASN HD21 H 1 7.570 . . 2 . . . A 24 ASN HD21 . 11420 1
297 . 1 1 24 24 ASN HD22 H 1 6.911 . . 2 . . . A 24 ASN HD22 . 11420 1
298 . 1 1 24 24 ASN C C 13 177.200 . . 1 . . . A 24 ASN C . 11420 1
299 . 1 1 24 24 ASN CA C 13 56.491 . . 1 . . . A 24 ASN CA . 11420 1
300 . 1 1 24 24 ASN CB C 13 38.721 . . 1 . . . A 24 ASN CB . 11420 1
301 . 1 1 24 24 ASN N N 15 116.512 . . 1 . . . A 24 ASN N . 11420 1
302 . 1 1 24 24 ASN ND2 N 15 112.388 . . 1 . . . A 24 ASN ND2 . 11420 1
303 . 1 1 25 25 SER H H 1 7.868 . . 1 . . . A 25 SER H . 11420 1
304 . 1 1 25 25 SER HA H 1 4.241 . . 1 . . . A 25 SER HA . 11420 1
305 . 1 1 25 25 SER HB2 H 1 3.919 . . 1 . . . A 25 SER HB2 . 11420 1
306 . 1 1 25 25 SER HB3 H 1 3.919 . . 1 . . . A 25 SER HB3 . 11420 1
307 . 1 1 25 25 SER C C 13 175.600 . . 1 . . . A 25 SER C . 11420 1
308 . 1 1 25 25 SER CA C 13 61.200 . . 1 . . . A 25 SER CA . 11420 1
309 . 1 1 25 25 SER CB C 13 63.081 . . 1 . . . A 25 SER CB . 11420 1
310 . 1 1 25 25 SER N N 15 114.584 . . 1 . . . A 25 SER N . 11420 1
311 . 1 1 26 26 ILE H H 1 7.425 . . 1 . . . A 26 ILE H . 11420 1
312 . 1 1 26 26 ILE HA H 1 3.938 . . 1 . . . A 26 ILE HA . 11420 1
313 . 1 1 26 26 ILE HB H 1 1.871 . . 1 . . . A 26 ILE HB . 11420 1
314 . 1 1 26 26 ILE HG12 H 1 1.470 . . 2 . . . A 26 ILE HG12 . 11420 1
315 . 1 1 26 26 ILE HG13 H 1 1.105 . . 2 . . . A 26 ILE HG13 . 11420 1
316 . 1 1 26 26 ILE HG21 H 1 0.808 . . 1 . . . A 26 ILE HG21 . 11420 1
317 . 1 1 26 26 ILE HG22 H 1 0.808 . . 1 . . . A 26 ILE HG22 . 11420 1
318 . 1 1 26 26 ILE HG23 H 1 0.808 . . 1 . . . A 26 ILE HG23 . 11420 1
319 . 1 1 26 26 ILE HD11 H 1 0.729 . . 1 . . . A 26 ILE HD11 . 11420 1
320 . 1 1 26 26 ILE HD12 H 1 0.729 . . 1 . . . A 26 ILE HD12 . 11420 1
321 . 1 1 26 26 ILE HD13 H 1 0.729 . . 1 . . . A 26 ILE HD13 . 11420 1
322 . 1 1 26 26 ILE C C 13 176.400 . . 1 . . . A 26 ILE C . 11420 1
323 . 1 1 26 26 ILE CA C 13 63.000 . . 1 . . . A 26 ILE CA . 11420 1
324 . 1 1 26 26 ILE CB C 13 38.423 . . 1 . . . A 26 ILE CB . 11420 1
325 . 1 1 26 26 ILE CG1 C 13 27.754 . . 1 . . . A 26 ILE CG1 . 11420 1
326 . 1 1 26 26 ILE CG2 C 13 17.787 . . 1 . . . A 26 ILE CG2 . 11420 1
327 . 1 1 26 26 ILE CD1 C 13 13.400 . . 1 . . . A 26 ILE CD1 . 11420 1
328 . 1 1 26 26 ILE N N 15 119.407 . . 1 . . . A 26 ILE N . 11420 1
329 . 1 1 27 27 LEU H H 1 7.747 . . 1 . . . A 27 LEU H . 11420 1
330 . 1 1 27 27 LEU HA H 1 4.164 . . 1 . . . A 27 LEU HA . 11420 1
331 . 1 1 27 27 LEU HB2 H 1 1.501 . . 2 . . . A 27 LEU HB2 . 11420 1
332 . 1 1 27 27 LEU HB3 H 1 1.687 . . 2 . . . A 27 LEU HB3 . 11420 1
333 . 1 1 27 27 LEU HG H 1 1.704 . . 1 . . . A 27 LEU HG . 11420 1
334 . 1 1 27 27 LEU HD11 H 1 0.850 . . 2 . . . A 27 LEU HD11 . 11420 1
335 . 1 1 27 27 LEU HD12 H 1 0.850 . . 2 . . . A 27 LEU HD12 . 11420 1
336 . 1 1 27 27 LEU HD13 H 1 0.850 . . 2 . . . A 27 LEU HD13 . 11420 1
337 . 1 1 27 27 LEU HD21 H 1 0.821 . . 2 . . . A 27 LEU HD21 . 11420 1
338 . 1 1 27 27 LEU HD22 H 1 0.821 . . 2 . . . A 27 LEU HD22 . 11420 1
339 . 1 1 27 27 LEU HD23 H 1 0.821 . . 2 . . . A 27 LEU HD23 . 11420 1
340 . 1 1 27 27 LEU C C 13 177.100 . . 1 . . . A 27 LEU C . 11420 1
341 . 1 1 27 27 LEU CA C 13 56.188 . . 1 . . . A 27 LEU CA . 11420 1
342 . 1 1 27 27 LEU CB C 13 42.457 . . 1 . . . A 27 LEU CB . 11420 1
343 . 1 1 27 27 LEU CG C 13 27.072 . . 1 . . . A 27 LEU CG . 11420 1
344 . 1 1 27 27 LEU CD1 C 13 25.369 . . 2 . . . A 27 LEU CD1 . 11420 1
345 . 1 1 27 27 LEU CD2 C 13 23.405 . . 2 . . . A 27 LEU CD2 . 11420 1
346 . 1 1 27 27 LEU N N 15 117.479 . . 1 . . . A 27 LEU N . 11420 1
347 . 1 1 28 28 ASN H H 1 7.937 . . 1 . . . A 28 ASN H . 11420 1
348 . 1 1 28 28 ASN HA H 1 4.164 . . 1 . . . A 28 ASN HA . 11420 1
349 . 1 1 28 28 ASN HB2 H 1 2.799 . . 2 . . . A 28 ASN HB2 . 11420 1
350 . 1 1 28 28 ASN HB3 H 1 2.657 . . 2 . . . A 28 ASN HB3 . 11420 1
351 . 1 1 28 28 ASN HD21 H 1 7.542 . . 2 . . . A 28 ASN HD21 . 11420 1
352 . 1 1 28 28 ASN HD22 H 1 6.864 . . 2 . . . A 28 ASN HD22 . 11420 1
353 . 1 1 28 28 ASN C C 13 174.900 . . 1 . . . A 28 ASN C . 11420 1
354 . 1 1 28 28 ASN CA C 13 53.600 . . 1 . . . A 28 ASN CA . 11420 1
355 . 1 1 28 28 ASN CB C 13 39.915 . . 1 . . . A 28 ASN CB . 11420 1
356 . 1 1 28 28 ASN N N 15 115.395 . . 1 . . . A 28 ASN N . 11420 1
357 . 1 1 28 28 ASN ND2 N 15 113.199 . . 1 . . . A 28 ASN ND2 . 11420 1
358 . 1 1 29 29 GLY H H 1 7.719 . . 1 . . . A 29 GLY H . 11420 1
359 . 1 1 29 29 GLY HA2 H 1 3.700 . . 1 . . . A 29 GLY HA2 . 11420 1
360 . 1 1 29 29 GLY HA3 H 1 3.700 . . 1 . . . A 29 GLY HA3 . 11420 1
361 . 1 1 29 29 GLY CA C 13 46.334 . . 1 . . . A 29 GLY CA . 11420 1
362 . 1 1 29 29 GLY N N 15 114.656 . . 1 . . . A 29 GLY N . 11420 1
stop_
save_