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 51004
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name N23PPS148A:ddTHF
_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 .
_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' . . . 51004 1
2 '3D HNCACB' . . . 51004 1
3 '3D CBCACONH' . . . 51004 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 . . 51004 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 2 2 ILE H H 1 9.2244 0.01 . 1 . . . . . 2 ILE HN . 51004 1
2 . 1 . 1 2 2 ILE N N 15 124.1085 0.01 . 1 . . . . . 2 ILE N . 51004 1
3 . 1 . 1 3 3 SER H H 1 9.3443 0.01 . 1 . . . . . 3 SER HN . 51004 1
4 . 1 . 1 3 3 SER N N 15 125.8952 0.01 . 1 . . . . . 3 SER N . 51004 1
5 . 1 . 1 4 4 LEU H H 1 8.4698 0.01 . 1 . . . . . 4 LEU HN . 51004 1
6 . 1 . 1 4 4 LEU N N 15 122.1985 0.01 . 1 . . . . . 4 LEU N . 51004 1
7 . 1 . 1 5 5 ILE H H 1 8.5093 0.01 . 1 . . . . . 5 ILE HN . 51004 1
8 . 1 . 1 5 5 ILE N N 15 118.0707 0.01 . 1 . . . . . 5 ILE N . 51004 1
9 . 1 . 1 6 6 ALA H H 1 8.8402 0.01 . 1 . . . . . 6 ALA HN . 51004 1
10 . 1 . 1 6 6 ALA N N 15 132.5870 0.01 . 1 . . . . . 6 ALA N . 51004 1
11 . 1 . 1 7 7 ALA H H 1 7.7094 0.01 . 1 . . . . . 7 ALA HN . 51004 1
12 . 1 . 1 7 7 ALA N N 15 121.6997 0.01 . 1 . . . . . 7 ALA N . 51004 1
13 . 1 . 1 8 8 LEU H H 1 9.0606 0.01 . 1 . . . . . 8 LEU HN . 51004 1
14 . 1 . 1 8 8 LEU N N 15 122.6398 0.01 . 1 . . . . . 8 LEU N . 51004 1
15 . 1 . 1 10 10 VAL H H 1 7.5835 0.01 . 1 . . . . . 10 VAL HN . 51004 1
16 . 1 . 1 10 10 VAL N N 15 118.4246 0.01 . 1 . . . . . 10 VAL N . 51004 1
17 . 1 . 1 11 11 ASP H H 1 9.0192 0.01 . 1 . . . . . 11 ASP HN . 51004 1
18 . 1 . 1 11 11 ASP N N 15 121.7888 0.01 . 1 . . . . . 11 ASP N . 51004 1
19 . 1 . 1 12 12 ARG H H 1 8.5237 0.01 . 1 . . . . . 12 ARG HN . 51004 1
20 . 1 . 1 12 12 ARG N N 15 108.4053 0.01 . 1 . . . . . 12 ARG N . 51004 1
21 . 1 . 1 13 13 VAL H H 1 6.9169 0.01 . 1 . . . . . 13 VAL HN . 51004 1
22 . 1 . 1 13 13 VAL N N 15 120.5976 0.01 . 1 . . . . . 13 VAL N . 51004 1
23 . 1 . 1 16 16 MET H H 1 8.9563 0.01 . 1 . . . . . 16 MET HN . 51004 1
24 . 1 . 1 16 16 MET N N 15 120.1808 0.01 . 1 . . . . . 16 MET N . 51004 1
25 . 1 . 1 27 27 ALA H H 1 9.1723 0.01 . 1 . . . . . 26 ALA HN . 51004 1
26 . 1 . 1 27 27 ALA N N 15 120.1467 0.01 . 1 . . . . . 26 ALA N . 51004 1
27 . 1 . 1 28 28 ASP H H 1 7.2986 0.01 . 1 . . . . . 27 ASP HN . 51004 1
28 . 1 . 1 28 28 ASP N N 15 118.7232 0.01 . 1 . . . . . 27 ASP N . 51004 1
29 . 1 . 1 29 29 LEU H H 1 7.9853 0.01 . 1 . . . . . 28 LEU HN . 51004 1
30 . 1 . 1 29 29 LEU N N 15 120.6951 0.01 . 1 . . . . . 28 LEU N . 51004 1
31 . 1 . 1 30 30 ALA H H 1 7.7931 0.01 . 1 . . . . . 29 ALA HN . 51004 1
32 . 1 . 1 30 30 ALA N N 15 120.4292 0.01 . 1 . . . . . 29 ALA N . 51004 1
33 . 1 . 1 31 31 TRP H H 1 7.5363 0.01 . 1 . . . . . 30 TRP HN . 51004 1
34 . 1 . 1 31 31 TRP N N 15 123.9945 0.01 . 1 . . . . . 30 TRP N . 51004 1
35 . 1 . 1 32 32 PHE H H 1 9.2960 0.01 . 1 . . . . . 31 PHE HN . 51004 1
36 . 1 . 1 32 32 PHE N N 15 123.4151 0.01 . 1 . . . . . 31 PHE N . 51004 1
37 . 1 . 1 33 33 LYS H H 1 8.6812 0.01 . 1 . . . . . 32 LYS HN . 51004 1
38 . 1 . 1 33 33 LYS N N 15 123.1030 0.01 . 1 . . . . . 32 LYS N . 51004 1
39 . 1 . 1 34 34 ARG H H 1 8.1151 0.01 . 1 . . . . . 33 ARG HN . 51004 1
40 . 1 . 1 34 34 ARG N N 15 116.7562 0.01 . 1 . . . . . 33 ARG N . 51004 1
41 . 1 . 1 35 35 ASN H H 1 7.1295 0.01 . 1 . . . . . 34 ASN HN . 51004 1
42 . 1 . 1 35 35 ASN N N 15 111.3077 0.01 . 1 . . . . . 34 ASN N . 51004 1
43 . 1 . 1 36 36 THR H H 1 7.1472 0.01 . 1 . . . . . 35 THR HN . 51004 1
44 . 1 . 1 36 36 THR N N 15 107.1658 0.01 . 1 . . . . . 35 THR N . 51004 1
45 . 1 . 1 39 39 LYS H H 1 7.6679 0.01 . 1 . . . . . 38 LYS HN . 51004 1
46 . 1 . 1 39 39 LYS N N 15 119.8558 0.01 . 1 . . . . . 38 LYS N . 51004 1
47 . 1 . 1 41 41 VAL H H 1 8.5571 0.01 . 1 . . . . . 40 VAL HN . 51004 1
48 . 1 . 1 41 41 VAL N N 15 113.9801 0.01 . 1 . . . . . 40 VAL N . 51004 1
49 . 1 . 1 42 42 ILE H H 1 8.4308 0.01 . 1 . . . . . 41 ILE HN . 51004 1
50 . 1 . 1 42 42 ILE N N 15 121.9641 0.01 . 1 . . . . . 41 ILE N . 51004 1
51 . 1 . 1 43 43 MET H H 1 8.9955 0.01 . 1 . . . . . 42 MET HN . 51004 1
52 . 1 . 1 43 43 MET N N 15 125.0734 0.01 . 1 . . . . . 42 MET N . 51004 1
53 . 1 . 1 44 44 GLY H H 1 8.9605 0.01 . 1 . . . . . 43 GLY HN . 51004 1
54 . 1 . 1 44 44 GLY N N 15 105.8496 0.01 . 1 . . . . . 43 GLY N . 51004 1
55 . 1 . 1 46 46 HIS H H 1 8.5985 0.01 . 1 . . . . . 45 HIS HN . 51004 1
56 . 1 . 1 46 46 HIS N N 15 117.4355 0.01 . 1 . . . . . 45 HIS N . 51004 1
57 . 1 . 1 47 47 THR H H 1 7.9273 0.01 . 1 . . . . . 46 THR HN . 51004 1
58 . 1 . 1 47 47 THR N N 15 120.6538 0.01 . 1 . . . . . 46 THR N . 51004 1
59 . 1 . 1 48 48 TRP H H 1 7.9002 0.01 . 1 . . . . . 47 TRP HN . 51004 1
60 . 1 . 1 48 48 TRP N N 15 123.4217 0.01 . 1 . . . . . 47 TRP N . 51004 1
61 . 1 . 1 49 49 GLU H H 1 8.5500 0.01 . 1 . . . . . 48 GLU HN . 51004 1
62 . 1 . 1 49 49 GLU N N 15 117.8000 0.01 . 1 . . . . . 48 GLU N . 51004 1
63 . 1 . 1 50 50 SER H H 1 7.5900 0.01 . 1 . . . . . 49 SER HN . 51004 1
64 . 1 . 1 50 50 SER N N 15 113.9000 0.01 . 1 . . . . . 49 SER N . 51004 1
65 . 1 . 1 51 51 ILE H H 1 7.8500 0.01 . 1 . . . . . 50 ILE HN . 51004 1
66 . 1 . 1 51 51 ILE N N 15 120.4500 0.01 . 1 . . . . . 50 ILE N . 51004 1
67 . 1 . 1 52 52 GLY H H 1 7.6100 0.01 . 1 . . . . . 51 GLY HN . 51004 1
68 . 1 . 1 52 52 GLY N N 15 105.8400 0.01 . 1 . . . . . 51 GLY N . 51004 1
69 . 1 . 1 53 53 ARG H H 1 6.8900 0.01 . 1 . . . . . 52 ARG HN . 51004 1
70 . 1 . 1 53 53 ARG N N 15 116.4200 0.01 . 1 . . . . . 52 ARG N . 51004 1
71 . 1 . 1 55 55 LEU H H 1 9.4600 0.01 . 1 . . . . . 54 LEU HN . 51004 1
72 . 1 . 1 55 55 LEU N N 15 126.0600 0.01 . 1 . . . . . 54 LEU N . 51004 1
73 . 1 . 1 58 58 ARG H H 1 7.1300 0.01 . 1 . . . . . 57 ARG HN . 51004 1
74 . 1 . 1 58 58 ARG N N 15 117.4700 0.01 . 1 . . . . . 57 ARG N . 51004 1
75 . 1 . 1 59 59 LYS H H 1 7.6100 0.01 . 1 . . . . . 58 LYS HN . 51004 1
76 . 1 . 1 59 59 LYS N N 15 123.4800 0.01 . 1 . . . . . 58 LYS N . 51004 1
77 . 1 . 1 60 60 ASN H H 1 8.9300 0.01 . 1 . . . . . 59 ASN HN . 51004 1
78 . 1 . 1 60 60 ASN N N 15 125.4700 0.01 . 1 . . . . . 59 ASN N . 51004 1
79 . 1 . 1 61 61 ILE H H 1 8.8500 0.01 . 1 . . . . . 60 ILE HN . 51004 1
80 . 1 . 1 61 61 ILE N N 15 126.4200 0.01 . 1 . . . . . 60 ILE N . 51004 1
81 . 1 . 1 62 62 ILE H H 1 8.8000 0.01 . 1 . . . . . 61 ILE HN . 51004 1
82 . 1 . 1 62 62 ILE N N 15 127.4300 0.01 . 1 . . . . . 61 ILE N . 51004 1
83 . 1 . 1 63 63 LEU H H 1 8.6500 0.01 . 1 . . . . . 62 LEU HN . 51004 1
84 . 1 . 1 63 63 LEU N N 15 128.8000 0.01 . 1 . . . . . 62 LEU N . 51004 1
85 . 1 . 1 64 64 SER H H 1 8.8800 0.01 . 1 . . . . . 63 SER HN . 51004 1
86 . 1 . 1 64 64 SER N N 15 119.7100 0.01 . 1 . . . . . 63 SER N . 51004 1
87 . 1 . 1 66 66 GLN H H 1 8.3274 0.01 . 1 . . . . . 65 GLN HN . 51004 1
88 . 1 . 1 66 66 GLN N N 15 121.8463 0.01 . 1 . . . . . 65 GLN N . 51004 1
89 . 1 . 1 68 68 GLY H H 1 5.9853 0.01 . 1 . . . . . 67 GLY HN . 51004 1
90 . 1 . 1 68 68 GLY N N 15 107.8133 0.01 . 1 . . . . . 67 GLY N . 51004 1
91 . 1 . 1 69 69 THR H H 1 6.9467 0.01 . 1 . . . . . 68 THR HN . 51004 1
92 . 1 . 1 69 69 THR N N 15 107.2314 0.01 . 1 . . . . . 68 THR N . 51004 1
93 . 1 . 1 70 70 ASP H H 1 7.4750 0.01 . 1 . . . . . 69 ASP HN . 51004 1
94 . 1 . 1 70 70 ASP N N 15 122.0184 0.01 . 1 . . . . . 69 ASP N . 51004 1
95 . 1 . 1 71 71 ASP H H 1 8.6728 0.01 . 1 . . . . . 70 ASP HN . 51004 1
96 . 1 . 1 71 71 ASP N N 15 126.0760 0.01 . 1 . . . . . 70 ASP N . 51004 1
97 . 1 . 1 72 72 ARG H H 1 8.8583 0.01 . 1 . . . . . 71 ARG HN . 51004 1
98 . 1 . 1 72 72 ARG N N 15 118.5783 0.01 . 1 . . . . . 71 ARG N . 51004 1
99 . 1 . 1 73 73 VAL H H 1 7.1209 0.01 . 1 . . . . . 72 VAL HN . 51004 1
100 . 1 . 1 73 73 VAL N N 15 108.2016 0.01 . 1 . . . . . 72 VAL N . 51004 1
101 . 1 . 1 74 74 THR H H 1 7.7657 0.01 . 1 . . . . . 73 THR HN . 51004 1
102 . 1 . 1 74 74 THR N N 15 117.0640 0.01 . 1 . . . . . 73 THR N . 51004 1
103 . 1 . 1 75 75 TRP H H 1 8.8505 0.01 . 1 . . . . . 74 TRP HN . 51004 1
104 . 1 . 1 75 75 TRP N N 15 129.3192 0.01 . 1 . . . . . 74 TRP N . 51004 1
105 . 1 . 1 76 76 VAL H H 1 9.2340 0.01 . 1 . . . . . 75 VAL HN . 51004 1
106 . 1 . 1 76 76 VAL N N 15 116.5012 0.01 . 1 . . . . . 75 VAL N . 51004 1
107 . 1 . 1 77 77 LYS H H 1 8.4986 0.01 . 1 . . . . . 76 LYS HN . 51004 1
108 . 1 . 1 77 77 LYS N N 15 115.8055 0.01 . 1 . . . . . 76 LYS N . 51004 1
109 . 1 . 1 78 78 SER H H 1 7.2930 0.01 . 1 . . . . . 77 SER HN . 51004 1
110 . 1 . 1 78 78 SER N N 15 112.1663 0.01 . 1 . . . . . 77 SER N . 51004 1
111 . 1 . 1 79 79 VAL H H 1 8.7729 0.01 . 1 . . . . . 78 VAL HN . 51004 1
112 . 1 . 1 79 79 VAL N N 15 122.9405 0.01 . 1 . . . . . 78 VAL N . 51004 1
113 . 1 . 1 80 80 ASP H H 1 8.3528 0.01 . 1 . . . . . 79 ASP HN . 51004 1
114 . 1 . 1 80 80 ASP N N 15 117.6952 0.01 . 1 . . . . . 79 ASP N . 51004 1
115 . 1 . 1 81 81 GLU H H 1 7.8496 0.01 . 1 . . . . . 80 GLU HN . 51004 1
116 . 1 . 1 81 81 GLU N N 15 120.6233 0.01 . 1 . . . . . 80 GLU N . 51004 1
117 . 1 . 1 82 82 ALA H H 1 8.3080 0.01 . 1 . . . . . 81 ALA HN . 51004 1
118 . 1 . 1 82 82 ALA N N 15 122.7019 0.01 . 1 . . . . . 81 ALA N . 51004 1
119 . 1 . 1 83 83 ILE H H 1 8.1429 0.01 . 1 . . . . . 82 ILE HN . 51004 1
120 . 1 . 1 83 83 ILE N N 15 116.4882 0.01 . 1 . . . . . 82 ILE N . 51004 1
121 . 1 . 1 84 84 ALA H H 1 8.0756 0.01 . 1 . . . . . 83 ALA HN . 51004 1
122 . 1 . 1 84 84 ALA N N 15 123.8024 0.01 . 1 . . . . . 83 ALA N . 51004 1
123 . 1 . 1 85 85 ALA H H 1 7.9425 0.01 . 1 . . . . . 84 ALA HN . 51004 1
124 . 1 . 1 85 85 ALA N N 15 119.1902 0.01 . 1 . . . . . 84 ALA N . 51004 1
125 . 1 . 1 86 86 CYS H H 1 7.3857 0.01 . 1 . . . . . 85 CYS HN . 51004 1
126 . 1 . 1 86 86 CYS N N 15 114.4666 0.01 . 1 . . . . . 85 CYS N . 51004 1
127 . 1 . 1 87 87 GLY H H 1 7.1649 0.01 . 1 . . . . . 86 GLY HN . 51004 1
128 . 1 . 1 87 87 GLY N N 15 103.3262 0.01 . 1 . . . . . 86 GLY N . 51004 1
129 . 1 . 1 89 89 VAL H H 1 7.2510 0.01 . 1 . . . . . 88 VAL HN . 51004 1
130 . 1 . 1 89 89 VAL N N 15 115.1573 0.01 . 1 . . . . . 88 VAL N . 51004 1
131 . 1 . 1 91 91 GLU H H 1 7.6423 0.01 . 1 . . . . . 90 GLU HN . 51004 1
132 . 1 . 1 91 91 GLU N N 15 116.5189 0.01 . 1 . . . . . 90 GLU N . 51004 1
133 . 1 . 1 92 92 ILE H H 1 8.7515 0.01 . 1 . . . . . 91 ILE HN . 51004 1
134 . 1 . 1 92 92 ILE N N 15 129.6743 0.01 . 1 . . . . . 91 ILE N . 51004 1
135 . 1 . 1 93 93 MET H H 1 8.0438 0.01 . 1 . . . . . 92 MET HN . 51004 1
136 . 1 . 1 93 93 MET N N 15 121.7659 0.01 . 1 . . . . . 92 MET N . 51004 1
137 . 1 . 1 94 94 VAL H H 1 9.2168 0.01 . 1 . . . . . 93 VAL HN . 51004 1
138 . 1 . 1 94 94 VAL N N 15 124.2557 0.01 . 1 . . . . . 93 VAL N . 51004 1
139 . 1 . 1 95 95 ILE H H 1 8.8552 0.01 . 1 . . . . . 94 ILE HN . 51004 1
140 . 1 . 1 95 95 ILE N N 15 118.8881 0.01 . 1 . . . . . 94 ILE N . 51004 1
141 . 1 . 1 96 96 GLY H H 1 5.9617 0.01 . 1 . . . . . 95 GLY HN . 51004 1
142 . 1 . 1 96 96 GLY N N 15 103.9979 0.01 . 1 . . . . . 95 GLY N . 51004 1
143 . 1 . 1 97 97 GLY H H 1 7.5614 0.01 . 1 . . . . . 96 GLY HN . 51004 1
144 . 1 . 1 97 97 GLY N N 15 108.4066 0.01 . 1 . . . . . 96 GLY N . 51004 1
145 . 1 . 1 98 98 GLY H H 1 9.3143 0.01 . 1 . . . . . 97 GLY HN . 51004 1
146 . 1 . 1 98 98 GLY N N 15 109.4781 0.01 . 1 . . . . . 97 GLY N . 51004 1
147 . 1 . 1 100 100 VAL H H 1 7.3654 0.01 . 1 . . . . . 99 VAL HN . 51004 1
148 . 1 . 1 100 100 VAL N N 15 121.0228 0.01 . 1 . . . . . 99 VAL N . 51004 1
149 . 1 . 1 101 101 TYR H H 1 8.8598 0.01 . 1 . . . . . 100 TYR HN . 51004 1
150 . 1 . 1 101 101 TYR N N 15 118.3148 0.01 . 1 . . . . . 100 TYR N . 51004 1
151 . 1 . 1 102 102 GLU H H 1 8.2481 0.01 . 1 . . . . . 101 GLU HN . 51004 1
152 . 1 . 1 102 102 GLU N N 15 117.0436 0.01 . 1 . . . . . 101 GLU N . 51004 1
153 . 1 . 1 103 103 GLN H H 1 7.8077 0.01 . 1 . . . . . 102 GLN HN . 51004 1
154 . 1 . 1 103 103 GLN N N 15 115.3961 0.01 . 1 . . . . . 102 GLN N . 51004 1
155 . 1 . 1 104 104 PHE H H 1 7.8697 0.01 . 1 . . . . . 103 PHE HN . 51004 1
156 . 1 . 1 104 104 PHE N N 15 112.6316 0.01 . 1 . . . . . 103 PHE N . 51004 1
157 . 1 . 1 105 105 LEU H H 1 8.3561 0.01 . 1 . . . . . 104 LEU HN . 51004 1
158 . 1 . 1 105 105 LEU N N 15 123.6260 0.01 . 1 . . . . . 104 LEU N . 51004 1
159 . 1 . 1 107 107 LYS H H 1 7.4751 0.01 . 1 . . . . . 106 LYS HN . 51004 1
160 . 1 . 1 107 107 LYS N N 15 112.5624 0.01 . 1 . . . . . 106 LYS N . 51004 1
161 . 1 . 1 108 108 ALA H H 1 7.9838 0.01 . 1 . . . . . 107 ALA HN . 51004 1
162 . 1 . 1 108 108 ALA N N 15 122.8360 0.01 . 1 . . . . . 107 ALA N . 51004 1
163 . 1 . 1 109 109 GLN H H 1 9.2743 0.01 . 1 . . . . . 108 GLN HN . 51004 1
164 . 1 . 1 109 109 GLN N N 15 118.3848 0.01 . 1 . . . . . 108 GLN N . 51004 1
165 . 1 . 1 110 110 LYS H H 1 7.7953 0.01 . 1 . . . . . 109 LYS HN . 51004 1
166 . 1 . 1 110 110 LYS N N 15 120.0683 0.01 . 1 . . . . . 109 LYS N . 51004 1
167 . 1 . 1 111 111 LEU H H 1 9.0011 0.01 . 1 . . . . . 110 LEU HN . 51004 1
168 . 1 . 1 111 111 LEU N N 15 121.8176 0.01 . 1 . . . . . 110 LEU N . 51004 1
169 . 1 . 1 112 112 TYR H H 1 9.3231 0.01 . 1 . . . . . 111 TYR HN . 51004 1
170 . 1 . 1 112 112 TYR N N 15 122.0202 0.01 . 1 . . . . . 111 TYR N . 51004 1
171 . 1 . 1 113 113 LEU H H 1 9.6557 0.01 . 1 . . . . . 112 LEU HN . 51004 1
172 . 1 . 1 113 113 LEU N N 15 123.7966 0.01 . 1 . . . . . 112 LEU N . 51004 1
173 . 1 . 1 114 114 THR H H 1 8.0767 0.01 . 1 . . . . . 113 THR HN . 51004 1
174 . 1 . 1 114 114 THR N N 15 117.7417 0.01 . 1 . . . . . 113 THR N . 51004 1
175 . 1 . 1 115 115 HIS H H 1 9.2134 0.01 . 1 . . . . . 114 HIS HN . 51004 1
176 . 1 . 1 115 115 HIS N N 15 127.1032 0.01 . 1 . . . . . 114 HIS N . 51004 1
177 . 1 . 1 116 116 ILE H H 1 9.1796 0.01 . 1 . . . . . 115 ILE HN . 51004 1
178 . 1 . 1 116 116 ILE N N 15 127.1882 0.01 . 1 . . . . . 115 ILE N . 51004 1
179 . 1 . 1 117 117 ASP H H 1 8.2847 0.01 . 1 . . . . . 116 ASP HN . 51004 1
180 . 1 . 1 117 117 ASP N N 15 129.4876 0.01 . 1 . . . . . 116 ASP N . 51004 1
181 . 1 . 1 118 118 ALA H H 1 7.7910 0.01 . 1 . . . . . 117 ALA HN . 51004 1
182 . 1 . 1 118 118 ALA N N 15 124.3914 0.01 . 1 . . . . . 117 ALA N . 51004 1
183 . 1 . 1 119 119 GLU H H 1 8.3998 0.01 . 1 . . . . . 118 GLU HN . 51004 1
184 . 1 . 1 119 119 GLU N N 15 122.8359 0.01 . 1 . . . . . 118 GLU N . 51004 1
185 . 1 . 1 121 121 GLU H H 1 8.3897 0.01 . 1 . . . . . 120 GLU HN . 51004 1
186 . 1 . 1 121 121 GLU N N 15 124.5514 0.01 . 1 . . . . . 120 GLU N . 51004 1
187 . 1 . 1 122 122 GLY H H 1 8.1326 0.01 . 1 . . . . . 121 GLY HN . 51004 1
188 . 1 . 1 122 122 GLY N N 15 108.8039 0.01 . 1 . . . . . 121 GLY N . 51004 1
189 . 1 . 1 123 123 ASP H H 1 8.3562 0.01 . 1 . . . . . 122 ASP HN . 51004 1
190 . 1 . 1 123 123 ASP N N 15 117.3400 0.01 . 1 . . . . . 122 ASP N . 51004 1
191 . 1 . 1 124 124 THR H H 1 7.8440 0.01 . 1 . . . . . 123 THR HN . 51004 1
192 . 1 . 1 124 124 THR N N 15 115.9660 0.01 . 1 . . . . . 123 THR N . 51004 1
193 . 1 . 1 126 126 PHE H H 1 9.0136 0.01 . 1 . . . . . 125 PHE HN . 51004 1
194 . 1 . 1 126 126 PHE N N 15 124.8905 0.01 . 1 . . . . . 125 PHE N . 51004 1
195 . 1 . 1 128 128 ASP H H 1 8.0271 0.01 . 1 . . . . . 127 ASP HN . 51004 1
196 . 1 . 1 128 128 ASP N N 15 118.1940 0.01 . 1 . . . . . 127 ASP N . 51004 1
197 . 1 . 1 129 129 TYR H H 1 7.2752 0.01 . 1 . . . . . 128 TYR HN . 51004 1
198 . 1 . 1 129 129 TYR N N 15 118.3927 0.01 . 1 . . . . . 128 TYR N . 51004 1
199 . 1 . 1 130 130 GLU H H 1 8.8764 0.01 . 1 . . . . . 129 GLU HN . 51004 1
200 . 1 . 1 130 130 GLU N N 15 123.9008 0.01 . 1 . . . . . 129 GLU N . 51004 1
201 . 1 . 1 132 132 ASP H H 1 8.8782 0.01 . 1 . . . . . 131 ASP HN . 51004 1
202 . 1 . 1 132 132 ASP N N 15 114.5771 0.01 . 1 . . . . . 131 ASP N . 51004 1
203 . 1 . 1 133 133 ASP H H 1 8.0768 0.01 . 1 . . . . . 132 ASP HN . 51004 1
204 . 1 . 1 133 133 ASP N N 15 117.9355 0.01 . 1 . . . . . 132 ASP N . 51004 1
205 . 1 . 1 134 134 TRP H H 1 7.6579 0.01 . 1 . . . . . 133 TRP HN . 51004 1
206 . 1 . 1 134 134 TRP N N 15 119.6240 0.01 . 1 . . . . . 133 TRP N . 51004 1
207 . 1 . 1 135 135 GLU H H 1 9.4532 0.01 . 1 . . . . . 134 GLU HN . 51004 1
208 . 1 . 1 135 135 GLU N N 15 123.0259 0.01 . 1 . . . . . 134 GLU N . 51004 1
209 . 1 . 1 136 136 SER H H 1 9.0019 0.01 . 1 . . . . . 135 SER HN . 51004 1
210 . 1 . 1 136 136 SER N N 15 121.5944 0.01 . 1 . . . . . 135 SER N . 51004 1
211 . 1 . 1 137 137 VAL H H 1 8.9613 0.01 . 1 . . . . . 136 VAL HN . 51004 1
212 . 1 . 1 137 137 VAL N N 15 122.0457 0.01 . 1 . . . . . 136 VAL N . 51004 1
213 . 1 . 1 138 138 PHE H H 1 7.8557 0.01 . 1 . . . . . 137 PHE HN . 51004 1
214 . 1 . 1 138 138 PHE N N 15 123.5651 0.01 . 1 . . . . . 137 PHE N . 51004 1
215 . 1 . 1 139 139 SER H H 1 7.5312 0.01 . 1 . . . . . 138 SER HN . 51004 1
216 . 1 . 1 139 139 SER N N 15 119.7035 0.01 . 1 . . . . . 138 SER N . 51004 1
217 . 1 . 1 140 140 GLU H H 1 8.6822 0.01 . 1 . . . . . 139 GLU HN . 51004 1
218 . 1 . 1 140 140 GLU N N 15 125.8197 0.01 . 1 . . . . . 139 GLU N . 51004 1
219 . 1 . 1 141 141 PHE H H 1 8.5786 0.01 . 1 . . . . . 140 PHE HN . 51004 1
220 . 1 . 1 141 141 PHE N N 15 128.8335 0.01 . 1 . . . . . 140 PHE N . 51004 1
221 . 1 . 1 142 142 HIS H H 1 7.9941 0.01 . 1 . . . . . 141 HIS HN . 51004 1
222 . 1 . 1 142 142 HIS N N 15 123.7380 0.01 . 1 . . . . . 141 HIS N . 51004 1
223 . 1 . 1 143 143 ASP H H 1 7.9810 0.01 . 1 . . . . . 142 ASP HN . 51004 1
224 . 1 . 1 143 143 ASP N N 15 120.4672 0.01 . 1 . . . . . 142 ASP N . 51004 1
225 . 1 . 1 144 144 ALA H H 1 8.0573 0.01 . 1 . . . . . 143 ALA HN . 51004 1
226 . 1 . 1 144 144 ALA N N 15 122.7093 0.01 . 1 . . . . . 143 ALA N . 51004 1
227 . 1 . 1 145 145 ASP H H 1 9.0071 0.01 . 1 . . . . . 144 ASP HN . 51004 1
228 . 1 . 1 145 145 ASP N N 15 121.1792 0.01 . 1 . . . . . 144 ASP N . 51004 1
229 . 1 . 1 146 146 ALA H H 1 8.1100 0.01 . 1 . . . . . 145 ALA HN . 51004 1
230 . 1 . 1 146 146 ALA N N 15 117.8800 0.01 . 1 . . . . . 145 ALA N . 51004 1
231 . 1 . 1 147 147 GLN H H 1 7.9101 0.01 . 1 . . . . . 146 GLN HN . 51004 1
232 . 1 . 1 147 147 GLN N N 15 112.9613 0.01 . 1 . . . . . 146 GLN N . 51004 1
233 . 1 . 1 148 148 ASN H H 1 8.1851 0.01 . 1 . . . . . 147 ASN HN . 51004 1
234 . 1 . 1 148 148 ASN N N 15 119.8463 0.01 . 1 . . . . . 147 ASN N . 51004 1
235 . 1 . 1 149 149 ALA H H 1 8.4735 0.01 . 1 . . . . . 148 ALA HN . 51004 1
236 . 1 . 1 149 149 ALA N N 15 122.7900 0.01 . 1 . . . . . 148 ALA N . 51004 1
237 . 1 . 1 150 150 HIS H H 1 6.8500 0.01 . 1 . . . . . 149 HIS HN . 51004 1
238 . 1 . 1 150 150 HIS N N 15 112.6400 0.01 . 1 . . . . . 149 HIS N . 51004 1
239 . 1 . 1 151 151 SER H H 1 8.6060 0.01 . 1 . . . . . 150 SER HN . 51004 1
240 . 1 . 1 151 151 SER N N 15 114.0040 0.01 . 1 . . . . . 150 SER N . 51004 1
241 . 1 . 1 152 152 TYR H H 1 7.5581 0.01 . 1 . . . . . 151 TYR HN . 51004 1
242 . 1 . 1 152 152 TYR N N 15 115.1442 0.01 . 1 . . . . . 151 TYR N . 51004 1
243 . 1 . 1 153 153 CYS H H 1 8.2421 0.01 . 1 . . . . . 152 CYS HN . 51004 1
244 . 1 . 1 153 153 CYS N N 15 118.9481 0.01 . 1 . . . . . 152 CYS N . 51004 1
245 . 1 . 1 154 154 PHE H H 1 8.3395 0.01 . 1 . . . . . 153 PHE HN . 51004 1
246 . 1 . 1 154 154 PHE N N 15 128.3446 0.01 . 1 . . . . . 153 PHE N . 51004 1
247 . 1 . 1 155 155 GLU H H 1 9.7843 0.01 . 1 . . . . . 154 GLU HN . 51004 1
248 . 1 . 1 155 155 GLU N N 15 124.3515 0.01 . 1 . . . . . 154 GLU N . 51004 1
249 . 1 . 1 156 156 ILE H H 1 8.6682 0.01 . 1 . . . . . 155 ILE HN . 51004 1
250 . 1 . 1 156 156 ILE N N 15 123.9999 0.01 . 1 . . . . . 155 ILE N . 51004 1
251 . 1 . 1 157 157 LEU H H 1 9.1753 0.01 . 1 . . . . . 156 LEU HN . 51004 1
252 . 1 . 1 157 157 LEU N N 15 126.0189 0.01 . 1 . . . . . 156 LEU N . 51004 1
253 . 1 . 1 158 158 GLU H H 1 9.2917 0.01 . 1 . . . . . 157 GLU HN . 51004 1
254 . 1 . 1 158 158 GLU N N 15 119.9370 0.01 . 1 . . . . . 157 GLU N . 51004 1
255 . 1 . 1 159 159 ARG H H 1 8.1379 0.01 . 1 . . . . . 158 ARG HN . 51004 1
256 . 1 . 1 159 159 ARG N N 15 127.1978 0.01 . 1 . . . . . 158 ARG N . 51004 1
257 . 1 . 1 160 160 ARG H H 1 7.9737 0.01 . 1 . . . . . 159 ARG HN . 51004 1
258 . 1 . 1 160 160 ARG N N 15 131.6434 0.01 . 1 . . . . . 159 ARG N . 51004 1
stop_
save_