Content for NMR-STAR saveframe, assigned_chemical_shifts_1
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 53572
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'spNC-4 chemical shift assignments'
_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 $chem_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 'N-terminal fragment of spNC-4'
_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 13C-13C DARR' . . . 53572 1
2 '2D NCA' . . . 53572 1
3 '2D NCO' . . . 53572 1
4 '2D NCACX' . . . 53572 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 $software_1 . . 53572 1
2 $software_2 . . 53572 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 48 48 ALA C C 13 181.439 0.033 . 1 . . . . . 48 ALA C . 53572 1
2 . 1 . 1 48 48 ALA CA C 13 54.946 0.025 . 1 . . . . . 48 ALA CA . 53572 1
3 . 1 . 1 48 48 ALA CB C 13 17.744 0.051 . 1 . . . . . 48 ALA CB . 53572 1
4 . 1 . 1 48 48 ALA N N 15 122.494 0.000 . 1 . . . . . 48 ALA N . 53572 1
5 . 1 . 1 49 49 ASN HA H 1 4.441 0.010 . 1 . . . . . 49 ASN HA . 53572 1
6 . 1 . 1 49 49 ASN C C 13 177.888 0.000 . 1 . . . . . 49 ASN C . 53572 1
7 . 1 . 1 49 49 ASN CA C 13 55.846 0.130 . 1 . . . . . 49 ASN CA . 53572 1
8 . 1 . 1 49 49 ASN CB C 13 37.671 0.055 . 1 . . . . . 49 ASN CB . 53572 1
9 . 1 . 1 49 49 ASN CG C 13 175.858 0.030 . 1 . . . . . 49 ASN CG . 53572 1
10 . 1 . 1 49 49 ASN N N 15 117.701 0.397 . 1 . . . . . 49 ASN N . 53572 1
11 . 1 . 1 50 50 LEU H H 1 7.808 0.001 . 1 . . . . . 50 LEU H . 53572 1
12 . 1 . 1 50 50 LEU HA H 1 4.127 0.013 . 1 . . . . . 50 LEU HA . 53572 1
13 . 1 . 1 50 50 LEU C C 13 177.903 0.046 . 1 . . . . . 50 LEU C . 53572 1
14 . 1 . 1 50 50 LEU CA C 13 57.797 0.103 . 1 . . . . . 50 LEU CA . 53572 1
15 . 1 . 1 50 50 LEU CB C 13 42.481 0.045 . 1 . . . . . 50 LEU CB . 53572 1
16 . 1 . 1 50 50 LEU CG C 13 27.291 0.000 . 1 . . . . . 50 LEU CG . 53572 1
17 . 1 . 1 50 50 LEU N N 15 123.811 0.249 . 1 . . . . . 50 LEU N . 53572 1
18 . 1 . 1 51 51 SER H H 1 8.038 0.015 . 1 . . . . . 51 SER H . 53572 1
19 . 1 . 1 51 51 SER HA H 1 4.426 0.003 . 1 . . . . . 51 SER HA . 53572 1
20 . 1 . 1 51 51 SER C C 13 177.252 0.055 . 1 . . . . . 51 SER C . 53572 1
21 . 1 . 1 51 51 SER CA C 13 60.830 0.122 . 1 . . . . . 51 SER CA . 53572 1
22 . 1 . 1 51 51 SER CB C 13 63.782 0.075 . 1 . . . . . 51 SER CB . 53572 1
23 . 1 . 1 51 51 SER N N 15 112.867 0.256 . 1 . . . . . 51 SER N . 53572 1
24 . 1 . 1 52 52 LEU H H 1 7.345 0.021 . 1 . . . . . 52 LEU H . 53572 1
25 . 1 . 1 52 52 LEU HA H 1 4.063 0.000 . 1 . . . . . 52 LEU HA . 53572 1
26 . 1 . 1 52 52 LEU C C 13 178.506 0.097 . 1 . . . . . 52 LEU C . 53572 1
27 . 1 . 1 52 52 LEU CA C 13 57.380 0.113 . 1 . . . . . 52 LEU CA . 53572 1
28 . 1 . 1 52 52 LEU CB C 13 42.131 0.102 . 1 . . . . . 52 LEU CB . 53572 1
29 . 1 . 1 52 52 LEU CG C 13 27.005 0.001 . 1 . . . . . 52 LEU CG . 53572 1
30 . 1 . 1 52 52 LEU N N 15 117.954 0.194 . 1 . . . . . 52 LEU N . 53572 1
31 . 1 . 1 53 53 GLU H H 1 8.280 0.016 . 1 . . . . . 53 GLU H . 53572 1
32 . 1 . 1 53 53 GLU HA H 1 3.908 0.016 . 1 . . . . . 53 GLU HA . 53572 1
33 . 1 . 1 53 53 GLU C C 13 178.726 0.097 . 1 . . . . . 53 GLU C . 53572 1
34 . 1 . 1 53 53 GLU CA C 13 59.155 0.108 . 1 . . . . . 53 GLU CA . 53572 1
35 . 1 . 1 53 53 GLU CB C 13 29.595 0.044 . 1 . . . . . 53 GLU CB . 53572 1
36 . 1 . 1 53 53 GLU CD C 13 182.938 0.055 . 1 . . . . . 53 GLU CD . 53572 1
37 . 1 . 1 53 53 GLU N N 15 119.356 0.216 . 1 . . . . . 53 GLU N . 53572 1
38 . 1 . 1 54 54 LEU H H 1 8.367 0.005 . 1 . . . . . 54 LEU H . 53572 1
39 . 1 . 1 54 54 LEU HA H 1 4.150 0.025 . 1 . . . . . 54 LEU HA . 53572 1
40 . 1 . 1 54 54 LEU C C 13 176.479 0.076 . 1 . . . . . 54 LEU C . 53572 1
41 . 1 . 1 54 54 LEU CA C 13 54.173 0.087 . 1 . . . . . 54 LEU CA . 53572 1
42 . 1 . 1 54 54 LEU CB C 13 42.604 0.093 . 1 . . . . . 54 LEU CB . 53572 1
43 . 1 . 1 54 54 LEU CG C 13 26.856 0.133 . 1 . . . . . 54 LEU CG . 53572 1
44 . 1 . 1 54 54 LEU CD1 C 13 21.746 0.043 . 1 . . . . . 54 LEU CD1 . 53572 1
45 . 1 . 1 54 54 LEU N N 15 114.480 0.371 . 1 . . . . . 54 LEU N . 53572 1
46 . 1 . 1 55 55 ARG CA C 13 54.807 0.022 . 1 . . . . . 55 ARG CA . 53572 1
47 . 1 . 1 55 55 ARG CB C 13 31.830 0.000 . 1 . . . . . 55 ARG CB . 53572 1
48 . 1 . 1 55 55 ARG N N 15 118.382 0.160 . 1 . . . . . 55 ARG N . 53572 1
49 . 1 . 1 58 58 VAL C C 13 174.609 0.089 . 1 . . . . . 58 VAL C . 53572 1
50 . 1 . 1 59 59 SER H H 1 8.630 0.000 . 1 . . . . . 59 SER H . 53572 1
51 . 1 . 1 59 59 SER HA H 1 4.883 0.002 . 1 . . . . . 59 SER HA . 53572 1
52 . 1 . 1 59 59 SER C C 13 172.269 0.016 . 1 . . . . . 59 SER C . 53572 1
53 . 1 . 1 59 59 SER CA C 13 56.258 0.109 . 1 . . . . . 59 SER CA . 53572 1
54 . 1 . 1 59 59 SER CB C 13 67.022 0.143 . 1 . . . . . 59 SER CB . 53572 1
55 . 1 . 1 59 59 SER N N 15 120.266 0.228 . 1 . . . . . 59 SER N . 53572 1
56 . 1 . 1 60 60 PHE CA C 13 56.047 0.048 . 1 . . . . . 60 PHE CA . 53572 1
57 . 1 . 1 60 60 PHE CB C 13 42.656 0.076 . 1 . . . . . 60 PHE CB . 53572 1
58 . 1 . 1 60 60 PHE CG C 13 138.826 0.007 . 1 . . . . . 60 PHE CG . 53572 1
59 . 1 . 1 60 60 PHE N N 15 120.835 0.112 . 1 . . . . . 60 PHE N . 53572 1
60 . 1 . 1 63 63 ILE C C 13 174.767 0.000 . 1 . . . . . 63 ILE C . 53572 1
61 . 1 . 1 64 64 THR HA H 1 4.790 0.025 . 1 . . . . . 64 THR HA . 53572 1
62 . 1 . 1 64 64 THR C C 13 174.158 0.101 . 1 . . . . . 64 THR C . 53572 1
63 . 1 . 1 64 64 THR CA C 13 59.307 0.097 . 1 . . . . . 64 THR CA . 53572 1
64 . 1 . 1 64 64 THR CB C 13 68.624 0.072 . 1 . . . . . 64 THR CB . 53572 1
65 . 1 . 1 64 64 THR N N 15 109.884 0.327 . 1 . . . . . 64 THR N . 53572 1
66 . 1 . 1 65 65 ALA H H 1 8.728 0.017 . 1 . . . . . 65 ALA H . 53572 1
67 . 1 . 1 65 65 ALA HA H 1 4.731 0.017 . 1 . . . . . 65 ALA HA . 53572 1
68 . 1 . 1 65 65 ALA C C 13 175.700 0.026 . 1 . . . . . 65 ALA C . 53572 1
69 . 1 . 1 65 65 ALA CA C 13 50.490 0.095 . 1 . . . . . 65 ALA CA . 53572 1
70 . 1 . 1 65 65 ALA CB C 13 19.426 0.070 . 1 . . . . . 65 ALA CB . 53572 1
71 . 1 . 1 65 65 ALA N N 15 127.525 0.280 . 1 . . . . . 65 ALA N . 53572 1
72 . 1 . 1 66 66 ASP HA H 1 4.776 0.028 . 1 . . . . . 66 ASP HA . 53572 1
73 . 1 . 1 66 66 ASP C C 13 176.489 0.072 . 1 . . . . . 66 ASP C . 53572 1
74 . 1 . 1 66 66 ASP CA C 13 52.560 0.127 . 1 . . . . . 66 ASP CA . 53572 1
75 . 1 . 1 66 66 ASP CB C 13 40.680 0.064 . 1 . . . . . 66 ASP CB . 53572 1
76 . 1 . 1 66 66 ASP CG C 13 178.304 0.019 . 1 . . . . . 66 ASP CG . 53572 1
77 . 1 . 1 66 66 ASP N N 15 126.083 0.413 . 1 . . . . . 66 ASP N . 53572 1
78 . 1 . 1 67 67 THR H H 1 8.245 0.006 . 1 . . . . . 67 THR H . 53572 1
79 . 1 . 1 67 67 THR HA H 1 3.780 0.006 . 1 . . . . . 67 THR HA . 53572 1
80 . 1 . 1 67 67 THR C C 13 176.965 0.070 . 1 . . . . . 67 THR C . 53572 1
81 . 1 . 1 67 67 THR CA C 13 67.201 0.073 . 1 . . . . . 67 THR CA . 53572 1
82 . 1 . 1 67 67 THR CB C 13 68.745 0.059 . 1 . . . . . 67 THR CB . 53572 1
83 . 1 . 1 67 67 THR CG2 C 13 22.450 0.041 . 1 . . . . . 67 THR CG2 . 53572 1
84 . 1 . 1 67 67 THR N N 15 111.816 0.166 . 1 . . . . . 67 THR N . 53572 1
85 . 1 . 1 68 68 LEU H H 1 8.087 0.015 . 1 . . . . . 68 LEU H . 53572 1
86 . 1 . 1 68 68 LEU C C 13 178.118 0.078 . 1 . . . . . 68 LEU C . 53572 1
87 . 1 . 1 68 68 LEU CA C 13 58.176 0.089 . 1 . . . . . 68 LEU CA . 53572 1
88 . 1 . 1 68 68 LEU CB C 13 39.199 0.132 . 1 . . . . . 68 LEU CB . 53572 1
89 . 1 . 1 68 68 LEU N N 15 124.606 0.216 . 1 . . . . . 68 LEU N . 53572 1
90 . 1 . 1 69 69 GLU N N 15 123.683 0.264 . 1 . . . . . 69 GLU N . 53572 1
91 . 1 . 1 71 71 ALA C C 13 180.916 0.022 . 1 . . . . . 71 ALA C . 53572 1
92 . 1 . 1 71 71 ALA CA C 13 55.176 0.000 . 1 . . . . . 71 ALA CA . 53572 1
93 . 1 . 1 72 72 ILE HA H 1 3.512 0.007 . 1 . . . . . 72 ILE HA . 53572 1
94 . 1 . 1 72 72 ILE C C 13 178.162 0.000 . 1 . . . . . 72 ILE C . 53572 1
95 . 1 . 1 72 72 ILE CA C 13 65.654 0.162 . 1 . . . . . 72 ILE CA . 53572 1
96 . 1 . 1 72 72 ILE CB C 13 38.247 0.128 . 1 . . . . . 72 ILE CB . 53572 1
97 . 1 . 1 72 72 ILE CG1 C 13 27.195 0.000 . 1 . . . . . 72 ILE CG1 . 53572 1
98 . 1 . 1 72 72 ILE CG2 C 13 17.373 0.032 . 1 . . . . . 72 ILE CG2 . 53572 1
99 . 1 . 1 72 72 ILE CD1 C 13 13.738 0.000 . 1 . . . . . 72 ILE CD1 . 53572 1
100 . 1 . 1 72 72 ILE N N 15 120.922 0.171 . 1 . . . . . 72 ILE N . 53572 1
101 . 1 . 1 76 76 GLY C C 13 177.514 0.000 . 1 . . . . . 76 GLY C . 53572 1
102 . 1 . 1 76 76 GLY CA C 13 47.812 0.000 . 1 . . . . . 76 GLY CA . 53572 1
103 . 1 . 1 77 77 THR HA H 1 3.955 0.028 . 1 . . . . . 77 THR HA . 53572 1
104 . 1 . 1 77 77 THR C C 13 175.730 0.055 . 1 . . . . . 77 THR C . 53572 1
105 . 1 . 1 77 77 THR CA C 13 66.417 0.075 . 1 . . . . . 77 THR CA . 53572 1
106 . 1 . 1 77 77 THR CB C 13 68.504 0.070 . 1 . . . . . 77 THR CB . 53572 1
107 . 1 . 1 77 77 THR CG2 C 13 21.906 0.055 . 1 . . . . . 77 THR CG2 . 53572 1
108 . 1 . 1 77 77 THR N N 15 121.154 0.147 . 1 . . . . . 77 THR N . 53572 1
109 . 1 . 1 78 78 LYS HA H 1 4.012 0.012 . 1 . . . . . 78 LYS HA . 53572 1
110 . 1 . 1 78 78 LYS C C 13 179.525 0.040 . 1 . . . . . 78 LYS C . 53572 1
111 . 1 . 1 78 78 LYS CA C 13 59.649 0.058 . 1 . . . . . 78 LYS CA . 53572 1
112 . 1 . 1 78 78 LYS CB C 13 31.974 0.068 . 1 . . . . . 78 LYS CB . 53572 1
113 . 1 . 1 78 78 LYS N N 15 123.036 0.219 . 1 . . . . . 78 LYS N . 53572 1
114 . 1 . 1 79 79 HIS N N 15 120.683 0.000 . 1 . . . . . 79 HIS N . 53572 1
115 . 1 . 1 80 80 GLY HA2 H 1 3.825 0.000 . 2 . . . . . 80 GLY HA2 . 53572 1
116 . 1 . 1 80 80 GLY HA3 H 1 4.134 0.000 . 2 . . . . . 80 GLY HA3 . 53572 1
117 . 1 . 1 80 80 GLY C C 13 176.797 0.094 . 1 . . . . . 80 GLY C . 53572 1
118 . 1 . 1 80 80 GLY CA C 13 47.845 0.082 . 1 . . . . . 80 GLY CA . 53572 1
119 . 1 . 1 80 80 GLY N N 15 106.208 0.000 . 1 . . . . . 80 GLY N . 53572 1
120 . 1 . 1 81 81 ASN H H 1 8.380 0.007 . 1 . . . . . 81 ASN H . 53572 1
121 . 1 . 1 81 81 ASN HA H 1 4.641 0.014 . 1 . . . . . 81 ASN HA . 53572 1
122 . 1 . 1 81 81 ASN C C 13 177.534 0.093 . 1 . . . . . 81 ASN C . 53572 1
123 . 1 . 1 81 81 ASN CA C 13 55.539 0.113 . 1 . . . . . 81 ASN CA . 53572 1
124 . 1 . 1 81 81 ASN CB C 13 37.853 0.079 . 1 . . . . . 81 ASN CB . 53572 1
125 . 1 . 1 81 81 ASN CG C 13 176.013 0.058 . 1 . . . . . 81 ASN CG . 53572 1
126 . 1 . 1 81 81 ASN N N 15 119.636 0.163 . 1 . . . . . 81 ASN N . 53572 1
127 . 1 . 1 81 81 ASN ND2 N 15 107.625 0.184 . 1 . . . . . 81 ASN ND2 . 53572 1
128 . 1 . 1 82 82 LYS H H 1 8.052 0.015 . 1 . . . . . 82 LYS H . 53572 1
129 . 1 . 1 82 82 LYS HA H 1 4.273 0.009 . 1 . . . . . 82 LYS HA . 53572 1
130 . 1 . 1 82 82 LYS C C 13 179.710 0.117 . 1 . . . . . 82 LYS C . 53572 1
131 . 1 . 1 82 82 LYS CA C 13 58.751 0.130 . 1 . . . . . 82 LYS CA . 53572 1
132 . 1 . 1 82 82 LYS CB C 13 30.939 0.129 . 1 . . . . . 82 LYS CB . 53572 1
133 . 1 . 1 82 82 LYS CG C 13 24.424 0.117 . 1 . . . . . 82 LYS CG . 53572 1
134 . 1 . 1 82 82 LYS N N 15 121.186 0.254 . 1 . . . . . 82 LYS N . 53572 1
135 . 1 . 1 83 83 GLY HA2 H 1 4.657 0.002 . 2 . . . . . 83 GLY HA2 . 53572 1
136 . 1 . 1 83 83 GLY HA3 H 1 3.875 0.025 . 2 . . . . . 83 GLY HA3 . 53572 1
137 . 1 . 1 83 83 GLY C C 13 174.974 0.008 . 1 . . . . . 83 GLY C . 53572 1
138 . 1 . 1 83 83 GLY CA C 13 47.644 0.189 . 1 . . . . . 83 GLY CA . 53572 1
139 . 1 . 1 83 83 GLY N N 15 106.814 0.186 . 1 . . . . . 83 GLY N . 53572 1
140 . 1 . 1 84 84 TRP H H 1 8.376 0.008 . 1 . . . . . 84 TRP H . 53572 1
141 . 1 . 1 84 84 TRP HA H 1 4.285 0.000 . 1 . . . . . 84 TRP HA . 53572 1
142 . 1 . 1 84 84 TRP HD1 H 1 7.190 0.015 . 1 . . . . . 84 TRP HD1 . 53572 1
143 . 1 . 1 84 84 TRP C C 13 178.132 0.079 . 1 . . . . . 84 TRP C . 53572 1
144 . 1 . 1 84 84 TRP CA C 13 61.207 0.054 . 1 . . . . . 84 TRP CA . 53572 1
145 . 1 . 1 84 84 TRP CB C 13 27.841 0.113 . 1 . . . . . 84 TRP CB . 53572 1
146 . 1 . 1 84 84 TRP CG C 13 111.202 0.184 . 1 . . . . . 84 TRP CG . 53572 1
147 . 1 . 1 84 84 TRP CD1 C 13 127.989 0.088 . 1 . . . . . 84 TRP CD1 . 53572 1
148 . 1 . 1 84 84 TRP CD2 C 13 130.260 0.183 . 1 . . . . . 84 TRP CD2 . 53572 1
149 . 1 . 1 84 84 TRP CE3 C 13 121.027 0.000 . 1 . . . . . 84 TRP CE3 . 53572 1
150 . 1 . 1 84 84 TRP N N 15 123.375 0.208 . 1 . . . . . 84 TRP N . 53572 1
151 . 1 . 1 85 85 GLU H H 1 9.013 0.019 . 1 . . . . . 85 GLU H . 53572 1
152 . 1 . 1 85 85 GLU HA H 1 4.070 0.004 . 1 . . . . . 85 GLU HA . 53572 1
153 . 1 . 1 85 85 GLU C C 13 179.322 0.087 . 1 . . . . . 85 GLU C . 53572 1
154 . 1 . 1 85 85 GLU CA C 13 59.574 0.106 . 1 . . . . . 85 GLU CA . 53572 1
155 . 1 . 1 85 85 GLU CB C 13 29.666 0.051 . 1 . . . . . 85 GLU CB . 53572 1
156 . 1 . 1 85 85 GLU CG C 13 36.692 0.027 . 1 . . . . . 85 GLU CG . 53572 1
157 . 1 . 1 85 85 GLU CD C 13 183.382 0.074 . 1 . . . . . 85 GLU CD . 53572 1
158 . 1 . 1 85 85 GLU N N 15 117.721 0.140 . 1 . . . . . 85 GLU N . 53572 1
159 . 1 . 1 86 86 ALA H H 1 8.020 0.005 . 1 . . . . . 86 ALA H . 53572 1
160 . 1 . 1 86 86 ALA HA H 1 4.316 0.007 . 1 . . . . . 86 ALA HA . 53572 1
161 . 1 . 1 86 86 ALA C C 13 181.366 0.085 . 1 . . . . . 86 ALA C . 53572 1
162 . 1 . 1 86 86 ALA CA C 13 54.892 0.091 . 1 . . . . . 86 ALA CA . 53572 1
163 . 1 . 1 86 86 ALA CB C 13 18.323 0.085 . 1 . . . . . 86 ALA CB . 53572 1
164 . 1 . 1 86 86 ALA N N 15 122.372 0.176 . 1 . . . . . 86 ALA N . 53572 1
165 . 1 . 1 87 87 ALA H H 1 8.013 0.024 . 1 . . . . . 87 ALA H . 53572 1
166 . 1 . 1 87 87 ALA HA H 1 3.936 0.004 . 1 . . . . . 87 ALA HA . 53572 1
167 . 1 . 1 87 87 ALA C C 13 177.946 0.095 . 1 . . . . . 87 ALA C . 53572 1
168 . 1 . 1 87 87 ALA CA C 13 54.879 0.084 . 1 . . . . . 87 ALA CA . 53572 1
169 . 1 . 1 87 87 ALA CB C 13 19.231 0.152 . 1 . . . . . 87 ALA CB . 53572 1
170 . 1 . 1 87 87 ALA N N 15 121.528 0.309 . 1 . . . . . 87 ALA N . 53572 1
171 . 1 . 1 88 88 LEU H H 1 8.833 0.000 . 1 . . . . . 88 LEU H . 53572 1
172 . 1 . 1 88 88 LEU HA H 1 3.540 0.021 . 1 . . . . . 88 LEU HA . 53572 1
173 . 1 . 1 88 88 LEU C C 13 180.823 0.116 . 1 . . . . . 88 LEU C . 53572 1
174 . 1 . 1 88 88 LEU CA C 13 57.717 0.113 . 1 . . . . . 88 LEU CA . 53572 1
175 . 1 . 1 88 88 LEU CB C 13 42.329 0.156 . 1 . . . . . 88 LEU CB . 53572 1
176 . 1 . 1 88 88 LEU CG C 13 26.079 0.050 . 1 . . . . . 88 LEU CG . 53572 1
177 . 1 . 1 88 88 LEU N N 15 120.289 0.263 . 1 . . . . . 88 LEU N . 53572 1
178 . 1 . 1 89 89 SER H H 1 7.640 0.010 . 1 . . . . . 89 SER H . 53572 1
179 . 1 . 1 89 89 SER HA H 1 4.194 0.005 . 1 . . . . . 89 SER HA . 53572 1
180 . 1 . 1 89 89 SER C C 13 175.116 0.051 . 1 . . . . . 89 SER C . 53572 1
181 . 1 . 1 89 89 SER CA C 13 61.633 0.123 . 1 . . . . . 89 SER CA . 53572 1
182 . 1 . 1 89 89 SER CB C 13 62.744 0.090 . 1 . . . . . 89 SER CB . 53572 1
183 . 1 . 1 89 89 SER N N 15 113.613 0.222 . 1 . . . . . 89 SER N . 53572 1
184 . 1 . 1 90 90 ALA H H 1 7.297 0.024 . 1 . . . . . 90 ALA H . 53572 1
185 . 1 . 1 90 90 ALA HA H 1 4.075 0.018 . 1 . . . . . 90 ALA HA . 53572 1
186 . 1 . 1 90 90 ALA C C 13 179.200 0.056 . 1 . . . . . 90 ALA C . 53572 1
187 . 1 . 1 90 90 ALA CA C 13 55.484 0.124 . 1 . . . . . 90 ALA CA . 53572 1
188 . 1 . 1 90 90 ALA CB C 13 18.273 0.045 . 1 . . . . . 90 ALA CB . 53572 1
189 . 1 . 1 90 90 ALA N N 15 123.014 0.246 . 1 . . . . . 90 ALA N . 53572 1
190 . 1 . 1 91 91 ILE H H 1 8.601 0.014 . 1 . . . . . 91 ILE H . 53572 1
191 . 1 . 1 91 91 ILE HA H 1 3.459 0.014 . 1 . . . . . 91 ILE HA . 53572 1
192 . 1 . 1 91 91 ILE C C 13 179.182 0.062 . 1 . . . . . 91 ILE C . 53572 1
193 . 1 . 1 91 91 ILE CA C 13 65.908 0.133 . 1 . . . . . 91 ILE CA . 53572 1
194 . 1 . 1 91 91 ILE CB C 13 39.212 0.055 . 1 . . . . . 91 ILE CB . 53572 1
195 . 1 . 1 91 91 ILE CG1 C 13 29.641 0.071 . 1 . . . . . 91 ILE CG1 . 53572 1
196 . 1 . 1 91 91 ILE CG2 C 13 17.432 0.059 . 1 . . . . . 91 ILE CG2 . 53572 1
197 . 1 . 1 91 91 ILE CD1 C 13 14.441 0.024 . 1 . . . . . 91 ILE CD1 . 53572 1
198 . 1 . 1 91 91 ILE N N 15 117.370 0.133 . 1 . . . . . 91 ILE N . 53572 1
199 . 1 . 1 92 92 GLU C C 13 179.303 0.077 . 1 . . . . . 92 GLU C . 53572 1
200 . 1 . 1 92 92 GLU CA C 13 59.371 0.133 . 1 . . . . . 92 GLU CA . 53572 1
201 . 1 . 1 92 92 GLU CB C 13 29.084 0.176 . 1 . . . . . 92 GLU CB . 53572 1
202 . 1 . 1 92 92 GLU CG C 13 35.159 0.058 . 1 . . . . . 92 GLU CG . 53572 1
203 . 1 . 1 92 92 GLU CD C 13 183.072 0.147 . 1 . . . . . 92 GLU CD . 53572 1
204 . 1 . 1 92 92 GLU N N 15 117.750 0.265 . 1 . . . . . 92 GLU N . 53572 1
205 . 1 . 1 93 93 MET H H 1 8.629 0.000 . 1 . . . . . 93 MET H . 53572 1
206 . 1 . 1 93 93 MET HA H 1 4.630 0.000 . 1 . . . . . 93 MET HA . 53572 1
207 . 1 . 1 93 93 MET C C 13 178.246 0.085 . 1 . . . . . 93 MET C . 53572 1
208 . 1 . 1 93 93 MET CA C 13 55.537 0.146 . 1 . . . . . 93 MET CA . 53572 1
209 . 1 . 1 93 93 MET CB C 13 29.130 0.142 . 1 . . . . . 93 MET CB . 53572 1
210 . 1 . 1 93 93 MET CG C 13 30.747 0.048 . 1 . . . . . 93 MET CG . 53572 1
211 . 1 . 1 93 93 MET N N 15 114.996 0.289 . 1 . . . . . 93 MET N . 53572 1
212 . 1 . 1 94 94 ALA H H 1 8.938 0.057 . 1 . . . . . 94 ALA H . 53572 1
213 . 1 . 1 94 94 ALA HA H 1 4.078 0.022 . 1 . . . . . 94 ALA HA . 53572 1
214 . 1 . 1 94 94 ALA C C 13 181.410 0.032 . 1 . . . . . 94 ALA C . 53572 1
215 . 1 . 1 94 94 ALA CA C 13 55.416 0.090 . 1 . . . . . 94 ALA CA . 53572 1
216 . 1 . 1 94 94 ALA CB C 13 18.732 0.028 . 1 . . . . . 94 ALA CB . 53572 1
217 . 1 . 1 94 94 ALA N N 15 122.136 0.272 . 1 . . . . . 94 ALA N . 53572 1
218 . 1 . 1 95 95 ASN H H 1 8.242 0.018 . 1 . . . . . 95 ASN H . 53572 1
219 . 1 . 1 95 95 ASN HA H 1 4.695 0.011 . 1 . . . . . 95 ASN HA . 53572 1
220 . 1 . 1 95 95 ASN C C 13 178.556 0.118 . 1 . . . . . 95 ASN C . 53572 1
221 . 1 . 1 95 95 ASN CA C 13 56.121 0.137 . 1 . . . . . 95 ASN CA . 53572 1
222 . 1 . 1 95 95 ASN CB C 13 38.131 0.137 . 1 . . . . . 95 ASN CB . 53572 1
223 . 1 . 1 95 95 ASN N N 15 116.947 0.205 . 1 . . . . . 95 ASN N . 53572 1
224 . 1 . 1 96 96 LEU HA H 1 4.126 0.000 . 1 . . . . . 96 LEU HA . 53572 1
225 . 1 . 1 96 96 LEU C C 13 179.531 0.082 . 1 . . . . . 96 LEU C . 53572 1
226 . 1 . 1 96 96 LEU CA C 13 58.224 0.077 . 1 . . . . . 96 LEU CA . 53572 1
227 . 1 . 1 96 96 LEU CB C 13 40.566 0.105 . 1 . . . . . 96 LEU CB . 53572 1
228 . 1 . 1 96 96 LEU CG C 13 27.379 0.076 . 1 . . . . . 96 LEU CG . 53572 1
229 . 1 . 1 96 96 LEU CD1 C 13 25.117 0.062 . 2 . . . . . 96 LEU CD1 . 53572 1
230 . 1 . 1 96 96 LEU CD2 C 13 23.022 0.066 . 2 . . . . . 96 LEU CD2 . 53572 1
231 . 1 . 1 96 96 LEU N N 15 125.083 0.285 . 1 . . . . . 96 LEU N . 53572 1
232 . 1 . 1 97 97 TYR N N 15 118.215 0.079 . 1 . . . . . 97 TYR N . 53572 1
233 . 1 . 1 98 98 LYS HA H 1 4.075 0.011 . 1 . . . . . 98 LYS HA . 53572 1
234 . 1 . 1 98 98 LYS C C 13 179.685 0.104 . 1 . . . . . 98 LYS C . 53572 1
235 . 1 . 1 98 98 LYS CA C 13 59.948 0.104 . 1 . . . . . 98 LYS CA . 53572 1
236 . 1 . 1 98 98 LYS CB C 13 32.432 0.139 . 1 . . . . . 98 LYS CB . 53572 1
237 . 1 . 1 98 98 LYS CG C 13 25.169 0.093 . 1 . . . . . 98 LYS CG . 53572 1
238 . 1 . 1 98 98 LYS N N 15 116.627 0.134 . 1 . . . . . 98 LYS N . 53572 1
239 . 1 . 1 99 99 SER H H 1 8.057 0.015 . 1 . . . . . 99 SER H . 53572 1
240 . 1 . 1 99 99 SER HA H 1 4.419 0.006 . 1 . . . . . 99 SER HA . 53572 1
241 . 1 . 1 99 99 SER C C 13 176.805 0.042 . 1 . . . . . 99 SER C . 53572 1
242 . 1 . 1 99 99 SER CA C 13 61.646 0.082 . 1 . . . . . 99 SER CA . 53572 1
243 . 1 . 1 99 99 SER CB C 13 63.240 0.132 . 1 . . . . . 99 SER CB . 53572 1
244 . 1 . 1 99 99 SER N N 15 115.379 0.125 . 1 . . . . . 99 SER N . 53572 1
245 . 1 . 1 100 100 LEU H H 1 8.480 0.000 . 1 . . . . . 100 LEU H . 53572 1
246 . 1 . 1 100 100 LEU N N 15 121.628 0.129 . 1 . . . . . 100 LEU N . 53572 1
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