Content for NMR-STAR saveframe, "assigned_chem_shift_list"
save_assigned_chem_shift_list
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list
_Assigned_chem_shift_list.Entry_ID 18708
_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 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/4b8k/ebi/shifts_3.bmrb.csh'
_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 NMR_expt 1 $sample_1 solid 18708 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 THR C C 13 170.139 0.1 . 1 . 1 . . 2 THR C . 18708 1
2 . 1 1 3 3 LYS H H 1 8.666 0.05 . 1 . 3 . . 3 LYS H . 18708 1
3 . 1 1 3 3 LYS C C 13 171.607 0.1 . 1 . 5 . . 3 LYS C . 18708 1
4 . 1 1 3 3 LYS CA C 13 51.178 0.1 . 1 . 4 . . 3 LYS CA . 18708 1
5 . 1 1 3 3 LYS N N 15 123.998 0.1 . 1 . 2 . . 3 LYS N . 18708 1
6 . 1 1 4 4 ALA H H 1 9.116 0.05 . 1 . 7 . . 4 ALA H . 18708 1
7 . 1 1 4 4 ALA C C 13 172.145 0.1 . 1 . 9 . . 4 ALA C . 18708 1
8 . 1 1 4 4 ALA CA C 13 47.504 0.1 . 1 . 8 . . 4 ALA CA . 18708 1
9 . 1 1 4 4 ALA N N 15 123.295 0.1 . 1 . 6 . . 4 ALA N . 18708 1
10 . 1 1 5 5 VAL H H 1 9.545 0.05 . 1 . 11 . . 5 VAL H . 18708 1
11 . 1 1 5 5 VAL C C 13 167.836 0.1 . 1 . 13 . . 5 VAL C . 18708 1
12 . 1 1 5 5 VAL CA C 13 56.875 0.1 . 1 . 12 . . 5 VAL CA . 18708 1
13 . 1 1 5 5 VAL N N 15 121.466 0.1 . 1 . 10 . . 5 VAL N . 18708 1
14 . 1 1 6 6 ALA H H 1 9.177 0.05 . 1 . 15 . . 6 ALA H . 18708 1
15 . 1 1 6 6 ALA C C 13 171.607 0.1 . 1 . 17 . . 6 ALA C . 18708 1
16 . 1 1 6 6 ALA CA C 13 47.471 0.1 . 1 . 16 . . 6 ALA CA . 18708 1
17 . 1 1 6 6 ALA N N 15 125.984 0.1 . 1 . 14 . . 6 ALA N . 18708 1
18 . 1 1 7 7 VAL H H 1 9.116 0.05 . 1 . 19 . . 7 VAL H . 18708 1
19 . 1 1 7 7 VAL C C 13 172.244 0.1 . 1 . 21 . . 7 VAL C . 18708 1
20 . 1 1 7 7 VAL CA C 13 58.476 0.1 . 1 . 20 . . 7 VAL CA . 18708 1
21 . 1 1 7 7 VAL N N 15 123.600 0.1 . 1 . 18 . . 7 VAL N . 18708 1
22 . 1 1 8 8 LEU H H 1 8.916 0.05 . 1 . 23 . . 8 LEU H . 18708 1
23 . 1 1 8 8 LEU C C 13 172.557 0.1 . 1 . 25 . . 8 LEU C . 18708 1
24 . 1 1 8 8 LEU CA C 13 51.052 0.1 . 1 . 24 . . 8 LEU CA . 18708 1
25 . 1 1 8 8 LEU N N 15 126.455 0.1 . 1 . 22 . . 8 LEU N . 18708 1
26 . 1 1 9 9 LYS H H 1 8.315 0.05 . 1 . 27 . . 9 LYS H . 18708 1
27 . 1 1 9 9 LYS C C 13 172.509 0.1 . 1 . 29 . . 9 LYS C . 18708 1
28 . 1 1 9 9 LYS CA C 13 51.897 0.1 . 1 . 28 . . 9 LYS CA . 18708 1
29 . 1 1 9 9 LYS N N 15 120.820 0.1 . 1 . 26 . . 9 LYS N . 18708 1
30 . 1 1 10 10 GLY H H 1 8.968 0.05 . 1 . 31 . . 10 GLY H . 18708 1
31 . 1 1 10 10 GLY C C 13 169.847 0.1 . 1 . 33 . . 10 GLY C . 18708 1
32 . 1 1 10 10 GLY CA C 13 42.275 0.1 . 1 . 32 . . 10 GLY CA . 18708 1
33 . 1 1 10 10 GLY N N 15 111.249 0.1 . 1 . 30 . . 10 GLY N . 18708 1
34 . 1 1 11 11 ASP H H 1 8.745 0.05 . 1 . 35 . . 11 ASP H . 18708 1
35 . 1 1 11 11 ASP C C 13 173.132 0.1 . 1 . 37 . . 11 ASP C . 18708 1
36 . 1 1 11 11 ASP CA C 13 51.317 0.1 . 1 . 36 . . 11 ASP CA . 18708 1
37 . 1 1 11 11 ASP N N 15 120.904 0.1 . 1 . 34 . . 11 ASP N . 18708 1
38 . 1 1 12 12 GLY H H 1 7.985 0.05 . 1 . 39 . . 12 GLY H . 18708 1
39 . 1 1 12 12 GLY CA C 13 41.200 0.1 . 1 . 40 . . 12 GLY CA . 18708 1
40 . 1 1 12 12 GLY N N 15 109.862 0.1 . 1 . 38 . . 12 GLY N . 18708 1
41 . 1 1 13 13 PRO C C 13 173.640 0.1 . 1 . 41 . . 13 PRO C . 18708 1
42 . 1 1 14 14 VAL H H 1 7.476 0.05 . 1 . 43 . . 14 VAL H . 18708 1
43 . 1 1 14 14 VAL C C 13 172.804 0.1 . 1 . 45 . . 14 VAL C . 18708 1
44 . 1 1 14 14 VAL CA C 13 59.884 0.1 . 1 . 44 . . 14 VAL CA . 18708 1
45 . 1 1 14 14 VAL N N 15 120.414 0.1 . 1 . 42 . . 14 VAL N . 18708 1
46 . 1 1 15 15 GLN H H 1 7.938 0.05 . 1 . 47 . . 15 GLN H . 18708 1
47 . 1 1 15 15 GLN C C 13 171.168 0.1 . 1 . 49 . . 15 GLN C . 18708 1
48 . 1 1 15 15 GLN CA C 13 50.679 0.1 . 1 . 48 . . 15 GLN CA . 18708 1
49 . 1 1 15 15 GLN N N 15 122.664 0.1 . 1 . 46 . . 15 GLN N . 18708 1
50 . 1 1 16 16 GLY H H 1 8.288 0.05 . 1 . 51 . . 16 GLY H . 18708 1
51 . 1 1 16 16 GLY C C 13 167.726 0.1 . 1 . 53 . . 16 GLY C . 18708 1
52 . 1 1 16 16 GLY CA C 13 43.625 0.1 . 1 . 52 . . 16 GLY CA . 18708 1
53 . 1 1 16 16 GLY N N 15 107.018 0.1 . 1 . 50 . . 16 GLY N . 18708 1
54 . 1 1 17 17 ILE H H 1 7.948 0.05 . 1 . 55 . . 17 ILE H . 18708 1
55 . 1 1 17 17 ILE C C 13 171.194 0.1 . 1 . 57 . . 17 ILE C . 18708 1
56 . 1 1 17 17 ILE CA C 13 58.497 0.1 . 1 . 56 . . 17 ILE CA . 18708 1
57 . 1 1 17 17 ILE N N 15 120.248 0.1 . 1 . 54 . . 17 ILE N . 18708 1
58 . 1 1 18 18 ILE H H 1 8.725 0.05 . 1 . 59 . . 18 ILE H . 18708 1
59 . 1 1 18 18 ILE C C 13 168.889 0.1 . 1 . 61 . . 18 ILE C . 18708 1
60 . 1 1 18 18 ILE CA C 13 53.431 0.1 . 1 . 60 . . 18 ILE CA . 18708 1
61 . 1 1 18 18 ILE N N 15 125.851 0.1 . 1 . 58 . . 18 ILE N . 18708 1
62 . 1 1 19 19 ASN H H 1 8.727 0.05 . 1 . 63 . . 19 ASN H . 18708 1
63 . 1 1 19 19 ASN C C 13 168.903 0.1 . 1 . 65 . . 19 ASN C . 18708 1
64 . 1 1 19 19 ASN CA C 13 49.088 0.1 . 1 . 64 . . 19 ASN CA . 18708 1
65 . 1 1 19 19 ASN N N 15 123.256 0.1 . 1 . 62 . . 19 ASN N . 18708 1
66 . 1 1 20 20 PHE H H 1 8.399 0.05 . 1 . 67 . . 20 PHE H . 18708 1
67 . 1 1 20 20 PHE C C 13 173.219 0.1 . 1 . 69 . . 20 PHE C . 18708 1
68 . 1 1 20 20 PHE CA C 13 52.058 0.1 . 1 . 68 . . 20 PHE CA . 18708 1
69 . 1 1 20 20 PHE N N 15 113.849 0.1 . 1 . 66 . . 20 PHE N . 18708 1
70 . 1 1 21 21 GLU H H 1 9.526 0.05 . 1 . 71 . . 21 GLU H . 18708 1
71 . 1 1 21 21 GLU C C 13 170.280 0.1 . 1 . 73 . . 21 GLU C . 18708 1
72 . 1 1 21 21 GLU CA C 13 53.044 0.1 . 1 . 72 . . 21 GLU CA . 18708 1
73 . 1 1 21 21 GLU N N 15 121.454 0.1 . 1 . 70 . . 21 GLU N . 18708 1
74 . 1 1 22 22 GLN H H 1 9.305 0.05 . 1 . 75 . . 22 GLN H . 18708 1
75 . 1 1 22 22 GLN CA C 13 51.180 0.1 . 1 . 76 . . 22 GLN CA . 18708 1
76 . 1 1 22 22 GLN N N 15 130.340 0.1 . 1 . 74 . . 22 GLN N . 18708 1
77 . 1 1 23 23 LYS H H 1 9.088 0.05 . 1 . 78 . . 23 LYS H . 18708 1
78 . 1 1 23 23 LYS CA C 13 57.241 0.1 . 1 . 79 . . 23 LYS CA . 18708 1
79 . 1 1 23 23 LYS N N 15 128.657 0.1 . 1 . 77 . . 23 LYS N . 18708 1
80 . 1 1 24 24 GLU CA C 13 51.392 0.1 . 1 . 80 . . 24 GLU CA . 18708 1
81 . 1 1 25 25 SER CA C 13 58.078 0.1 . 1 . 81 . . 25 SER CA . 18708 1
82 . 1 1 27 27 GLY H H 1 8.032 0.05 . 1 . 83 . . 27 GLY H . 18708 1
83 . 1 1 27 27 GLY CA C 13 42.925 0.1 . 1 . 84 . . 27 GLY CA . 18708 1
84 . 1 1 27 27 GLY N N 15 108.125 0.1 . 1 . 82 . . 27 GLY N . 18708 1
85 . 1 1 28 28 PRO C C 13 173.128 0.1 . 1 . 85 . . 28 PRO C . 18708 1
86 . 1 1 29 29 VAL H H 1 9.089 0.05 . 1 . 87 . . 29 VAL H . 18708 1
87 . 1 1 29 29 VAL C C 13 172.198 0.1 . 1 . 89 . . 29 VAL C . 18708 1
88 . 1 1 29 29 VAL CA C 13 57.720 0.1 . 1 . 88 . . 29 VAL CA . 18708 1
89 . 1 1 29 29 VAL N N 15 121.267 0.1 . 1 . 86 . . 29 VAL N . 18708 1
90 . 1 1 30 30 LYS H H 1 9.200 0.05 . 1 . 91 . . 30 LYS H . 18708 1
91 . 1 1 30 30 LYS C C 13 172.098 0.1 . 1 . 93 . . 30 LYS C . 18708 1
92 . 1 1 30 30 LYS CA C 13 52.642 0.1 . 1 . 92 . . 30 LYS CA . 18708 1
93 . 1 1 30 30 LYS N N 15 127.589 0.1 . 1 . 90 . . 30 LYS N . 18708 1
94 . 1 1 31 31 VAL H H 1 9.282 0.05 . 1 . 95 . . 31 VAL H . 18708 1
95 . 1 1 31 31 VAL C C 13 172.244 0.1 . 1 . 97 . . 31 VAL C . 18708 1
96 . 1 1 31 31 VAL CA C 13 57.139 0.1 . 1 . 96 . . 31 VAL CA . 18708 1
97 . 1 1 31 31 VAL N N 15 126.037 0.1 . 1 . 94 . . 31 VAL N . 18708 1
98 . 1 1 32 32 TRP H H 1 8.983 0.05 . 1 . 99 . . 32 TRP H . 18708 1
99 . 1 1 32 32 TRP C C 13 170.156 0.1 . 1 . 101 . . 32 TRP C . 18708 1
100 . 1 1 32 32 TRP CA C 13 53.137 0.1 . 1 . 100 . . 32 TRP CA . 18708 1
101 . 1 1 32 32 TRP N N 15 125.414 0.1 . 1 . 98 . . 32 TRP N . 18708 1
102 . 1 1 33 33 GLY H H 1 8.360 0.05 . 1 . 103 . . 33 GLY H . 18708 1
103 . 1 1 33 33 GLY C C 13 168.400 0.1 . 1 . 105 . . 33 GLY C . 18708 1
104 . 1 1 33 33 GLY CA C 13 41.567 0.1 . 1 . 104 . . 33 GLY CA . 18708 1
105 . 1 1 33 33 GLY N N 15 107.848 0.1 . 1 . 102 . . 33 GLY N . 18708 1
106 . 1 1 34 34 SER H H 1 7.838 0.05 . 1 . 107 . . 34 SER H . 18708 1
107 . 1 1 34 34 SER C C 13 169.618 0.1 . 1 . 109 . . 34 SER C . 18708 1
108 . 1 1 34 34 SER CA C 13 53.875 0.1 . 1 . 108 . . 34 SER CA . 18708 1
109 . 1 1 34 34 SER N N 15 114.377 0.1 . 1 . 106 . . 34 SER N . 18708 1
110 . 1 1 35 35 ILE H H 1 8.496 0.05 . 1 . 111 . . 35 ILE H . 18708 1
111 . 1 1 35 35 ILE C C 13 169.713 0.1 . 1 . 113 . . 35 ILE C . 18708 1
112 . 1 1 35 35 ILE CA C 13 56.769 0.1 . 1 . 112 . . 35 ILE CA . 18708 1
113 . 1 1 35 35 ILE N N 15 123.149 0.1 . 1 . 110 . . 35 ILE N . 18708 1
114 . 1 1 36 36 LYS H H 1 9.091 0.05 . 1 . 115 . . 36 LYS H . 18708 1
115 . 1 1 36 36 LYS C C 13 172.260 0.1 . 1 . 117 . . 36 LYS C . 18708 1
116 . 1 1 36 36 LYS CA C 13 51.150 0.1 . 1 . 116 . . 36 LYS CA . 18708 1
117 . 1 1 36 36 LYS N N 15 123.803 0.1 . 1 . 114 . . 36 LYS N . 18708 1
118 . 1 1 37 37 GLY H H 1 8.237 0.05 . 1 . 119 . . 37 GLY H . 18708 1
119 . 1 1 37 37 GLY C C 13 171.641 0.1 . 1 . 121 . . 37 GLY C . 18708 1
120 . 1 1 37 37 GLY CA C 13 42.361 0.1 . 1 . 120 . . 37 GLY CA . 18708 1
121 . 1 1 37 37 GLY N N 15 105.495 0.1 . 1 . 118 . . 37 GLY N . 18708 1
122 . 1 1 38 38 LEU H H 1 8.156 0.05 . 1 . 123 . . 38 LEU H . 18708 1
123 . 1 1 38 38 LEU C C 13 174.112 0.1 . 1 . 125 . . 38 LEU C . 18708 1
124 . 1 1 38 38 LEU CA C 13 50.471 0.1 . 1 . 124 . . 38 LEU CA . 18708 1
125 . 1 1 38 38 LEU N N 15 120.966 0.1 . 1 . 122 . . 38 LEU N . 18708 1
126 . 1 1 39 39 THR H H 1 8.660 0.05 . 1 . 127 . . 39 THR H . 18708 1
127 . 1 1 39 39 THR C C 13 173.102 0.1 . 1 . 129 . . 39 THR C . 18708 1
128 . 1 1 39 39 THR CA C 13 58.194 0.1 . 1 . 128 . . 39 THR CA . 18708 1
129 . 1 1 39 39 THR N N 15 110.363 0.1 . 1 . 126 . . 39 THR N . 18708 1
130 . 1 1 40 40 GLU H H 1 8.804 0.05 . 1 . 131 . . 40 GLU H . 18708 1
131 . 1 1 40 40 GLU C C 13 173.134 0.1 . 1 . 133 . . 40 GLU C . 18708 1
132 . 1 1 40 40 GLU CA C 13 54.356 0.1 . 1 . 132 . . 40 GLU CA . 18708 1
133 . 1 1 40 40 GLU N N 15 125.818 0.1 . 1 . 130 . . 40 GLU N . 18708 1
134 . 1 1 41 41 GLY H H 1 8.763 0.05 . 1 . 135 . . 41 GLY H . 18708 1
135 . 1 1 41 41 GLY C C 13 170.046 0.1 . 1 . 137 . . 41 GLY C . 18708 1
136 . 1 1 41 41 GLY CA C 13 40.054 0.1 . 1 . 136 . . 41 GLY CA . 18708 1
137 . 1 1 41 41 GLY N N 15 113.875 0.1 . 1 . 134 . . 41 GLY N . 18708 1
138 . 1 1 42 42 LEU H H 1 8.313 0.05 . 1 . 139 . . 42 LEU H . 18708 1
139 . 1 1 42 42 LEU C C 13 174.218 0.1 . 1 . 141 . . 42 LEU C . 18708 1
140 . 1 1 42 42 LEU CA C 13 52.155 0.1 . 1 . 140 . . 42 LEU CA . 18708 1
141 . 1 1 42 42 LEU N N 15 120.137 0.1 . 1 . 138 . . 42 LEU N . 18708 1
142 . 1 1 43 43 HIS H H 1 8.712 0.05 . 1 . 143 . . 43 HIS H . 18708 1
143 . 1 1 43 43 HIS C C 13 171.504 0.1 . 1 . 145 . . 43 HIS C . 18708 1
144 . 1 1 43 43 HIS CA C 13 50.985 0.1 . 1 . 144 . . 43 HIS CA . 18708 1
145 . 1 1 43 43 HIS N N 15 114.385 0.1 . 1 . 142 . . 43 HIS N . 18708 1
146 . 1 1 44 44 GLY H H 1 8.875 0.05 . 1 . 147 . . 44 GLY H . 18708 1
147 . 1 1 44 44 GLY C C 13 168.656 0.1 . 1 . 149 . . 44 GLY C . 18708 1
148 . 1 1 44 44 GLY CA C 13 44.195 0.1 . 1 . 148 . . 44 GLY CA . 18708 1
149 . 1 1 44 44 GLY N N 15 108.872 0.1 . 1 . 146 . . 44 GLY N . 18708 1
150 . 1 1 45 45 PHE H H 1 8.111 0.05 . 1 . 151 . . 45 PHE H . 18708 1
151 . 1 1 45 45 PHE CA C 13 53.098 0.1 . 1 . 152 . . 45 PHE CA . 18708 1
152 . 1 1 45 45 PHE N N 15 126.439 0.1 . 1 . 150 . . 45 PHE N . 18708 1
153 . 1 1 46 46 HIS H H 1 8.107 0.05 . 1 . 154 . . 46 HIS H . 18708 1
154 . 1 1 46 46 HIS C C 13 172.415 0.1 . 1 . 156 . . 46 HIS C . 18708 1
155 . 1 1 46 46 HIS CA C 13 49.206 0.1 . 1 . 155 . . 46 HIS CA . 18708 1
156 . 1 1 46 46 HIS N N 15 115.353 0.1 . 1 . 153 . . 46 HIS N . 18708 1
157 . 1 1 47 47 VAL H H 1 9.366 0.05 . 1 . 158 . . 47 VAL H . 18708 1
158 . 1 1 47 47 VAL C C 13 173.900 0.1 . 1 . 160 . . 47 VAL C . 18708 1
159 . 1 1 47 47 VAL CA C 13 58.792 0.1 . 1 . 159 . . 47 VAL CA . 18708 1
160 . 1 1 47 47 VAL N N 15 120.548 0.1 . 1 . 157 . . 47 VAL N . 18708 1
161 . 1 1 48 48 HIS H H 1 10.210 0.05 . 1 . 162 . . 48 HIS H . 18708 1
162 . 1 1 48 48 HIS C C 13 171.084 0.1 . 1 . 164 . . 48 HIS C . 18708 1
163 . 1 1 48 48 HIS CA C 13 52.756 0.1 . 1 . 163 . . 48 HIS CA . 18708 1
164 . 1 1 48 48 HIS N N 15 129.236 0.1 . 1 . 161 . . 48 HIS N . 18708 1
165 . 1 1 49 49 GLU H H 1 8.492 0.05 . 1 . 166 . . 49 GLU H . 18708 1
166 . 1 1 49 49 GLU C C 13 171.635 0.1 . 1 . 168 . . 49 GLU C . 18708 1
167 . 1 1 49 49 GLU CA C 13 57.759 0.1 . 1 . 167 . . 49 GLU CA . 18708 1
168 . 1 1 49 49 GLU N N 15 118.119 0.1 . 1 . 165 . . 49 GLU N . 18708 1
169 . 1 1 50 50 PHE H H 1 8.580 0.05 . 1 . 170 . . 50 PHE H . 18708 1
170 . 1 1 50 50 PHE C C 13 175.252 0.1 . 1 . 172 . . 50 PHE C . 18708 1
171 . 1 1 50 50 PHE CA C 13 52.900 0.1 . 1 . 171 . . 50 PHE CA . 18708 1
172 . 1 1 50 50 PHE N N 15 110.329 0.1 . 1 . 169 . . 50 PHE N . 18708 1
173 . 1 1 51 51 GLY H H 1 10.208 0.05 . 1 . 174 . . 51 GLY H . 18708 1
174 . 1 1 51 51 GLY C C 13 168.248 0.1 . 1 . 175 . . 51 GLY C . 18708 1
175 . 1 1 51 51 GLY N N 15 119.251 0.1 . 1 . 173 . . 51 GLY N . 18708 1
176 . 1 1 52 52 ASP H H 1 5.834 0.05 . 1 . 177 . . 52 ASP H . 18708 1
177 . 1 1 52 52 ASP CA C 13 48.891 0.1 . 1 . 178 . . 52 ASP CA . 18708 1
178 . 1 1 52 52 ASP N N 15 114.958 0.1 . 1 . 176 . . 52 ASP N . 18708 1
179 . 1 1 53 53 ASN H H 1 9.360 0.05 . 1 . 180 . . 53 ASN H . 18708 1
180 . 1 1 53 53 ASN CA C 13 48.233 0.1 . 1 . 181 . . 53 ASN CA . 18708 1
181 . 1 1 53 53 ASN N N 15 128.224 0.1 . 1 . 179 . . 53 ASN N . 18708 1
182 . 1 1 54 54 THR C C 13 168.656 0.1 . 1 . 182 . . 54 THR C . 18708 1
183 . 1 1 55 55 ALA H H 1 8.390 0.05 . 1 . 184 . . 55 ALA H . 18708 1
184 . 1 1 55 55 ALA C C 13 174.185 0.1 . 1 . 186 . . 55 ALA C . 18708 1
185 . 1 1 55 55 ALA CA C 13 46.155 0.1 . 1 . 185 . . 55 ALA CA . 18708 1
186 . 1 1 55 55 ALA N N 15 126.661 0.1 . 1 . 183 . . 55 ALA N . 18708 1
187 . 1 1 56 56 GLY H H 1 7.282 0.05 . 1 . 188 . . 56 GLY H . 18708 1
188 . 1 1 56 56 GLY C C 13 171.578 0.1 . 1 . 190 . . 56 GLY C . 18708 1
189 . 1 1 56 56 GLY CA C 13 42.580 0.1 . 1 . 189 . . 56 GLY CA . 18708 1
190 . 1 1 56 56 GLY N N 15 107.903 0.1 . 1 . 187 . . 56 GLY N . 18708 1
191 . 1 1 57 57 CYS H H 1 8.900 0.05 . 1 . 192 . . 57 CYS H . 18708 1
192 . 1 1 57 57 CYS C C 13 175.209 0.1 . 1 . 194 . . 57 CYS C . 18708 1
193 . 1 1 57 57 CYS CA C 13 49.088 0.1 . 1 . 193 . . 57 CYS CA . 18708 1
194 . 1 1 57 57 CYS N N 15 117.952 0.1 . 1 . 191 . . 57 CYS N . 18708 1
195 . 1 1 58 58 THR H H 1 8.505 0.05 . 1 . 196 . . 58 THR H . 18708 1
196 . 1 1 58 58 THR CA C 13 58.239 0.1 . 1 . 197 . . 58 THR CA . 18708 1
197 . 1 1 58 58 THR N N 15 119.852 0.1 . 1 . 195 . . 58 THR N . 18708 1
198 . 1 1 59 59 SER C C 13 170.763 0.1 . 1 . 199 . . 59 SER C . 18708 1
199 . 1 1 59 59 SER CA C 13 55.609 0.1 . 1 . 198 . . 59 SER CA . 18708 1
200 . 1 1 60 60 ALA H H 1 6.898 0.05 . 1 . 201 . . 60 ALA H . 18708 1
201 . 1 1 60 60 ALA CA C 13 49.940 0.1 . 1 . 202 . . 60 ALA CA . 18708 1
202 . 1 1 60 60 ALA N N 15 119.753 0.1 . 1 . 200 . . 60 ALA N . 18708 1
203 . 1 1 61 61 GLY H H 1 7.730 0.05 . 1 . 204 . . 61 GLY H . 18708 1
204 . 1 1 61 61 GLY CA C 13 42.805 0.1 . 1 . 205 . . 61 GLY CA . 18708 1
205 . 1 1 61 61 GLY N N 15 101.351 0.1 . 1 . 203 . . 61 GLY N . 18708 1
206 . 1 1 62 62 PRO C C 13 172.276 0.1 . 1 . 206 . . 62 PRO C . 18708 1
207 . 1 1 63 63 HIS H H 1 7.474 0.05 . 1 . 208 . . 63 HIS H . 18708 1
208 . 1 1 63 63 HIS CA C 13 52.119 0.1 . 1 . 209 . . 63 HIS CA . 18708 1
209 . 1 1 63 63 HIS N N 15 115.023 0.1 . 1 . 207 . . 63 HIS N . 18708 1
210 . 1 1 64 64 PHE C C 13 171.731 0.1 . 1 . 210 . . 64 PHE C . 18708 1
211 . 1 1 65 65 ASN H H 1 9.426 0.05 . 1 . 212 . . 65 ASN H . 18708 1
212 . 1 1 65 65 ASN CA C 13 47.753 0.1 . 1 . 213 . . 65 ASN CA . 18708 1
213 . 1 1 65 65 ASN N N 15 126.978 0.1 . 1 . 211 . . 65 ASN N . 18708 1
214 . 1 1 67 67 LEU H H 1 7.720 0.05 . 1 . 215 . . 67 LEU H . 18708 1
215 . 1 1 67 67 LEU C C 13 172.580 0.1 . 1 . 217 . . 67 LEU C . 18708 1
216 . 1 1 67 67 LEU CA C 13 50.911 0.1 . 1 . 216 . . 67 LEU CA . 18708 1
217 . 1 1 67 67 LEU N N 15 117.937 0.1 . 1 . 214 . . 67 LEU N . 18708 1
218 . 1 1 68 68 SER H H 1 7.428 0.05 . 1 . 219 . . 68 SER H . 18708 1
219 . 1 1 68 68 SER CA C 13 55.953 0.1 . 1 . 220 . . 68 SER CA . 18708 1
220 . 1 1 68 68 SER N N 15 110.842 0.1 . 1 . 218 . . 68 SER N . 18708 1
221 . 1 1 69 69 ARG H H 1 8.508 0.05 . 1 . 222 . . 69 ARG H . 18708 1
222 . 1 1 69 69 ARG C C 13 173.381 0.1 . 1 . 224 . . 69 ARG C . 18708 1
223 . 1 1 69 69 ARG CA C 13 50.543 0.1 . 1 . 223 . . 69 ARG CA . 18708 1
224 . 1 1 69 69 ARG N N 15 120.782 0.1 . 1 . 221 . . 69 ARG N . 18708 1
225 . 1 1 70 70 LYS H H 1 8.745 0.05 . 1 . 226 . . 70 LYS H . 18708 1
226 . 1 1 70 70 LYS C C 13 169.994 0.1 . 1 . 228 . . 70 LYS C . 18708 1
227 . 1 1 70 70 LYS CA C 13 52.596 0.1 . 1 . 227 . . 70 LYS CA . 18708 1
228 . 1 1 70 70 LYS N N 15 118.055 0.1 . 1 . 225 . . 70 LYS N . 18708 1
229 . 1 1 71 71 HIS H H 1 7.152 0.05 . 1 . 230 . . 71 HIS H . 18708 1
230 . 1 1 71 71 HIS C C 13 171.534 0.1 . 1 . 232 . . 71 HIS C . 18708 1
231 . 1 1 71 71 HIS CA C 13 52.549 0.1 . 1 . 231 . . 71 HIS CA . 18708 1
232 . 1 1 71 71 HIS N N 15 111.871 0.1 . 1 . 229 . . 71 HIS N . 18708 1
233 . 1 1 72 72 GLY H H 1 7.209 0.05 . 1 . 234 . . 72 GLY H . 18708 1
234 . 1 1 72 72 GLY C C 13 168.634 0.1 . 1 . 236 . . 72 GLY C . 18708 1
235 . 1 1 72 72 GLY CA C 13 41.274 0.1 . 1 . 235 . . 72 GLY CA . 18708 1
236 . 1 1 72 72 GLY N N 15 112.910 0.1 . 1 . 233 . . 72 GLY N . 18708 1
237 . 1 1 73 73 GLY H H 1 8.789 0.05 . 1 . 238 . . 73 GLY H . 18708 1
238 . 1 1 73 73 GLY CA C 13 41.221 0.1 . 1 . 239 . . 73 GLY CA . 18708 1
239 . 1 1 73 73 GLY N N 15 105.207 0.1 . 1 . 237 . . 73 GLY N . 18708 1
240 . 1 1 74 74 PRO C C 13 175.753 0.1 . 1 . 240 . . 74 PRO C . 18708 1
241 . 1 1 75 75 LYS H H 1 8.651 0.05 . 1 . 242 . . 75 LYS H . 18708 1
242 . 1 1 75 75 LYS C C 13 173.640 0.1 . 1 . 244 . . 75 LYS C . 18708 1
243 . 1 1 75 75 LYS CA C 13 51.103 0.1 . 1 . 243 . . 75 LYS CA . 18708 1
244 . 1 1 75 75 LYS N N 15 114.868 0.1 . 1 . 241 . . 75 LYS N . 18708 1
245 . 1 1 76 76 ASP H H 1 7.461 0.05 . 1 . 246 . . 76 ASP H . 18708 1
246 . 1 1 76 76 ASP C C 13 172.557 0.1 . 1 . 248 . . 76 ASP C . 18708 1
247 . 1 1 76 76 ASP CA C 13 51.309 0.1 . 1 . 247 . . 76 ASP CA . 18708 1
248 . 1 1 76 76 ASP N N 15 120.414 0.1 . 1 . 245 . . 76 ASP N . 18708 1
249 . 1 1 77 77 GLU H H 1 8.315 0.05 . 1 . 250 . . 77 GLU H . 18708 1
250 . 1 1 77 77 GLU C C 13 174.101 0.1 . 1 . 252 . . 77 GLU C . 18708 1
251 . 1 1 77 77 GLU CA C 13 55.513 0.1 . 1 . 251 . . 77 GLU CA . 18708 1
252 . 1 1 77 77 GLU N N 15 120.820 0.1 . 1 . 249 . . 77 GLU N . 18708 1
253 . 1 1 78 78 GLU H H 1 8.109 0.05 . 1 . 254 . . 78 GLU H . 18708 1
254 . 1 1 78 78 GLU C C 13 168.285 0.1 . 1 . 256 . . 78 GLU C . 18708 1
255 . 1 1 78 78 GLU CA C 13 52.078 0.1 . 1 . 255 . . 78 GLU CA . 18708 1
256 . 1 1 78 78 GLU N N 15 119.251 0.1 . 1 . 253 . . 78 GLU N . 18708 1
257 . 1 1 79 79 ARG H H 1 6.999 0.05 . 1 . 258 . . 79 ARG H . 18708 1
258 . 1 1 79 79 ARG C C 13 172.123 0.1 . 1 . 260 . . 79 ARG C . 18708 1
259 . 1 1 79 79 ARG CA C 13 51.074 0.1 . 1 . 259 . . 79 ARG CA . 18708 1
260 . 1 1 79 79 ARG N N 15 118.991 0.1 . 1 . 257 . . 79 ARG N . 18708 1
261 . 1 1 80 80 HIS H H 1 8.355 0.05 . 1 . 262 . . 80 HIS H . 18708 1
262 . 1 1 80 80 HIS CA C 13 49.953 0.1 . 1 . 263 . . 80 HIS CA . 18708 1
263 . 1 1 80 80 HIS N N 15 118.000 0.1 . 1 . 261 . . 80 HIS N . 18708 1
264 . 1 1 81 81 VAL C C 13 173.460 0.1 . 1 . 264 . . 81 VAL C . 18708 1
265 . 1 1 82 82 GLY H H 1 8.487 0.05 . 1 . 266 . . 82 GLY H . 18708 1
266 . 1 1 82 82 GLY C C 13 170.370 0.1 . 1 . 268 . . 82 GLY C . 18708 1
267 . 1 1 82 82 GLY CA C 13 42.688 0.1 . 1 . 267 . . 82 GLY CA . 18708 1
268 . 1 1 82 82 GLY N N 15 97.322 0.1 . 1 . 265 . . 82 GLY N . 18708 1
269 . 1 1 83 83 ASP H H 1 7.127 0.05 . 1 . 270 . . 83 ASP H . 18708 1
270 . 1 1 83 83 ASP C C 13 168.737 0.1 . 1 . 272 . . 83 ASP C . 18708 1
271 . 1 1 83 83 ASP CA C 13 52.918 0.1 . 1 . 271 . . 83 ASP CA . 18708 1
272 . 1 1 83 83 ASP N N 15 120.890 0.1 . 1 . 269 . . 83 ASP N . 18708 1
273 . 1 1 84 84 LEU H H 1 7.128 0.05 . 1 . 274 . . 84 LEU H . 18708 1
274 . 1 1 84 84 LEU C C 13 173.212 0.1 . 1 . 276 . . 84 LEU C . 18708 1
275 . 1 1 84 84 LEU CA C 13 50.433 0.1 . 1 . 275 . . 84 LEU CA . 18708 1
276 . 1 1 84 84 LEU N N 15 120.154 0.1 . 1 . 273 . . 84 LEU N . 18708 1
277 . 1 1 85 85 GLY H H 1 8.260 0.05 . 1 . 278 . . 85 GLY H . 18708 1
278 . 1 1 85 85 GLY C C 13 167.654 0.1 . 1 . 280 . . 85 GLY C . 18708 1
279 . 1 1 85 85 GLY CA C 13 43.011 0.1 . 1 . 279 . . 85 GLY CA . 18708 1
280 . 1 1 85 85 GLY N N 15 106.867 0.1 . 1 . 277 . . 85 GLY N . 18708 1
281 . 1 1 86 86 ASN H H 1 8.041 0.05 . 1 . 282 . . 86 ASN H . 18708 1
282 . 1 1 86 86 ASN C C 13 173.942 0.1 . 1 . 284 . . 86 ASN C . 18708 1
283 . 1 1 86 86 ASN CA C 13 49.266 0.1 . 1 . 283 . . 86 ASN CA . 18708 1
284 . 1 1 86 86 ASN N N 15 117.454 0.1 . 1 . 281 . . 86 ASN N . 18708 1
285 . 1 1 87 87 VAL H H 1 8.960 0.05 . 1 . 286 . . 87 VAL H . 18708 1
286 . 1 1 87 87 VAL C C 13 171.526 0.1 . 1 . 288 . . 87 VAL C . 18708 1
287 . 1 1 87 87 VAL CA C 13 55.708 0.1 . 1 . 287 . . 87 VAL CA . 18708 1
288 . 1 1 87 87 VAL N N 15 113.370 0.1 . 1 . 285 . . 87 VAL N . 18708 1
289 . 1 1 88 88 THR H H 1 8.681 0.05 . 1 . 290 . . 88 THR H . 18708 1
290 . 1 1 88 88 THR C C 13 170.367 0.1 . 1 . 292 . . 88 THR C . 18708 1
291 . 1 1 88 88 THR CA C 13 58.694 0.1 . 1 . 291 . . 88 THR CA . 18708 1
292 . 1 1 88 88 THR N N 15 117.939 0.1 . 1 . 289 . . 88 THR N . 18708 1
293 . 1 1 89 89 ALA H H 1 9.377 0.05 . 1 . 294 . . 89 ALA H . 18708 1
294 . 1 1 89 89 ALA C C 13 174.480 0.1 . 1 . 296 . . 89 ALA C . 18708 1
295 . 1 1 89 89 ALA CA C 13 46.369 0.1 . 1 . 295 . . 89 ALA CA . 18708 1
296 . 1 1 89 89 ALA N N 15 128.674 0.1 . 1 . 293 . . 89 ALA N . 18708 1
297 . 1 1 90 90 ASP H H 1 8.455 0.05 . 1 . 298 . . 90 ASP H . 18708 1
298 . 1 1 90 90 ASP C C 13 173.825 0.1 . 1 . 300 . . 90 ASP C . 18708 1
299 . 1 1 90 90 ASP CA C 13 49.347 0.1 . 1 . 299 . . 90 ASP CA . 18708 1
300 . 1 1 90 90 ASP N N 15 124.235 0.1 . 1 . 297 . . 90 ASP N . 18708 1
301 . 1 1 91 91 LYS H H 1 8.231 0.05 . 1 . 302 . . 91 LYS H . 18708 1
302 . 1 1 91 91 LYS C C 13 174.101 0.1 . 1 . 304 . . 91 LYS C . 18708 1
303 . 1 1 91 91 LYS CA C 13 55.279 0.1 . 1 . 303 . . 91 LYS CA . 18708 1
304 . 1 1 91 91 LYS N N 15 114.942 0.1 . 1 . 301 . . 91 LYS N . 18708 1
305 . 1 1 92 92 ASP H H 1 8.109 0.05 . 1 . 306 . . 92 ASP H . 18708 1
306 . 1 1 92 92 ASP C C 13 173.020 0.1 . 1 . 308 . . 92 ASP C . 18708 1
307 . 1 1 92 92 ASP CA C 13 51.127 0.1 . 1 . 307 . . 92 ASP CA . 18708 1
308 . 1 1 92 92 ASP N N 15 119.251 0.1 . 1 . 305 . . 92 ASP N . 18708 1
309 . 1 1 93 93 GLY H H 1 8.405 0.05 . 1 . 310 . . 93 GLY H . 18708 1
310 . 1 1 93 93 GLY C C 13 169.706 0.1 . 1 . 312 . . 93 GLY C . 18708 1
311 . 1 1 93 93 GLY CA C 13 43.763 0.1 . 1 . 311 . . 93 GLY CA . 18708 1
312 . 1 1 93 93 GLY N N 15 110.868 0.1 . 1 . 309 . . 93 GLY N . 18708 1
313 . 1 1 94 94 VAL H H 1 7.814 0.05 . 1 . 314 . . 94 VAL H . 18708 1
314 . 1 1 94 94 VAL C C 13 173.510 0.1 . 1 . 316 . . 94 VAL C . 18708 1
315 . 1 1 94 94 VAL CA C 13 58.185 0.1 . 1 . 315 . . 94 VAL CA . 18708 1
316 . 1 1 94 94 VAL N N 15 118.755 0.1 . 1 . 313 . . 94 VAL N . 18708 1
317 . 1 1 95 95 ALA H H 1 9.763 0.05 . 1 . 318 . . 95 ALA H . 18708 1
318 . 1 1 95 95 ALA C C 13 171.635 0.1 . 1 . 320 . . 95 ALA C . 18708 1
319 . 1 1 95 95 ALA CA C 13 46.914 0.1 . 1 . 319 . . 95 ALA CA . 18708 1
320 . 1 1 95 95 ALA N N 15 131.313 0.1 . 1 . 317 . . 95 ALA N . 18708 1
321 . 1 1 96 96 ASP H H 1 8.515 0.05 . 1 . 322 . . 96 ASP H . 18708 1
322 . 1 1 96 96 ASP C C 13 172.336 0.1 . 1 . 323 . . 96 ASP C . 18708 1
323 . 1 1 96 96 ASP N N 15 125.170 0.1 . 1 . 321 . . 96 ASP N . 18708 1
324 . 1 1 97 97 VAL H H 1 8.703 0.05 . 1 . 325 . . 97 VAL H . 18708 1
325 . 1 1 97 97 VAL C C 13 173.488 0.1 . 1 . 327 . . 97 VAL C . 18708 1
326 . 1 1 97 97 VAL CA C 13 58.243 0.1 . 1 . 326 . . 97 VAL CA . 18708 1
327 . 1 1 97 97 VAL N N 15 125.879 0.1 . 1 . 324 . . 97 VAL N . 18708 1
328 . 1 1 98 98 SER H H 1 8.784 0.05 . 1 . 329 . . 98 SER H . 18708 1
329 . 1 1 98 98 SER C C 13 169.715 0.1 . 1 . 331 . . 98 SER C . 18708 1
330 . 1 1 98 98 SER CA C 13 55.068 0.1 . 1 . 330 . . 98 SER CA . 18708 1
331 . 1 1 98 98 SER N N 15 123.017 0.1 . 1 . 328 . . 98 SER N . 18708 1
332 . 1 1 99 99 ILE H H 1 9.411 0.05 . 1 . 333 . . 99 ILE H . 18708 1
333 . 1 1 99 99 ILE C C 13 171.321 0.1 . 1 . 335 . . 99 ILE C . 18708 1
334 . 1 1 99 99 ILE CA C 13 57.155 0.1 . 1 . 334 . . 99 ILE CA . 18708 1
335 . 1 1 99 99 ILE N N 15 125.807 0.1 . 1 . 332 . . 99 ILE N . 18708 1
336 . 1 1 100 100 GLU H H 1 8.652 0.05 . 1 . 337 . . 100 GLU H . 18708 1
337 . 1 1 100 100 GLU C C 13 172.098 0.1 . 1 . 339 . . 100 GLU C . 18708 1
338 . 1 1 100 100 GLU CA C 13 52.290 0.1 . 1 . 338 . . 100 GLU CA . 18708 1
339 . 1 1 100 100 GLU N N 15 124.068 0.1 . 1 . 336 . . 100 GLU N . 18708 1
340 . 1 1 101 101 ASP H H 1 9.317 0.05 . 1 . 341 . . 101 ASP H . 18708 1
341 . 1 1 101 101 ASP C C 13 171.144 0.1 . 1 . 343 . . 101 ASP C . 18708 1
342 . 1 1 101 101 ASP CA C 13 51.419 0.1 . 1 . 342 . . 101 ASP CA . 18708 1
343 . 1 1 101 101 ASP N N 15 126.109 0.1 . 1 . 340 . . 101 ASP N . 18708 1
344 . 1 1 102 102 SER H H 1 8.933 0.05 . 1 . 345 . . 102 SER H . 18708 1
345 . 1 1 102 102 SER C C 13 171.596 0.1 . 1 . 347 . . 102 SER C . 18708 1
346 . 1 1 102 102 SER CA C 13 55.245 0.1 . 1 . 346 . . 102 SER CA . 18708 1
347 . 1 1 102 102 SER N N 15 118.470 0.1 . 1 . 344 . . 102 SER N . 18708 1
348 . 1 1 103 103 VAL H H 1 8.148 0.05 . 1 . 349 . . 103 VAL H . 18708 1
349 . 1 1 103 103 VAL CA C 13 61.450 0.1 . 1 . 350 . . 103 VAL CA . 18708 1
350 . 1 1 103 103 VAL N N 15 123.179 0.1 . 1 . 348 . . 103 VAL N . 18708 1
351 . 1 1 104 104 ILE C C 13 169.576 0.1 . 1 . 352 . . 104 ILE C . 18708 1
352 . 1 1 104 104 ILE CA C 13 60.194 0.1 . 1 . 351 . . 104 ILE CA . 18708 1
353 . 1 1 105 105 SER H H 1 6.988 0.05 . 1 . 354 . . 105 SER H . 18708 1
354 . 1 1 105 105 SER C C 13 170.046 0.1 . 1 . 356 . . 105 SER C . 18708 1
355 . 1 1 105 105 SER CA C 13 52.550 0.1 . 1 . 355 . . 105 SER CA . 18708 1
356 . 1 1 105 105 SER N N 15 107.618 0.1 . 1 . 353 . . 105 SER N . 18708 1
357 . 1 1 106 106 LEU H H 1 8.313 0.05 . 1 . 358 . . 106 LEU H . 18708 1
358 . 1 1 106 106 LEU N N 15 120.137 0.1 . 1 . 357 . . 106 LEU N . 18708 1
359 . 1 1 107 107 SER C C 13 170.701 0.1 . 1 . 360 . . 107 SER C . 18708 1
360 . 1 1 107 107 SER CA C 13 54.540 0.1 . 1 . 359 . . 107 SER CA . 18708 1
361 . 1 1 108 108 GLY H H 1 8.717 0.05 . 1 . 362 . . 108 GLY H . 18708 1
362 . 1 1 108 108 GLY C C 13 173.128 0.1 . 1 . 364 . . 108 GLY C . 18708 1
363 . 1 1 108 108 GLY CA C 13 41.287 0.1 . 1 . 363 . . 108 GLY CA . 18708 1
364 . 1 1 108 108 GLY N N 15 107.603 0.1 . 1 . 361 . . 108 GLY N . 18708 1
365 . 1 1 109 109 ASP H H 1 9.019 0.05 . 1 . 366 . . 109 ASP H . 18708 1
366 . 1 1 109 109 ASP C C 13 171.904 0.1 . 1 . 367 . . 109 ASP C . 18708 1
367 . 1 1 109 109 ASP N N 15 120.664 0.1 . 1 . 365 . . 109 ASP N . 18708 1
368 . 1 1 110 110 HIS H H 1 9.283 0.05 . 1 . 369 . . 110 HIS H . 18708 1
369 . 1 1 110 110 HIS N N 15 116.324 0.1 . 1 . 368 . . 110 HIS N . 18708 1
370 . 1 1 111 111 SER H H 1 7.156 0.05 . 1 . 371 . . 111 SER H . 18708 1
371 . 1 1 111 111 SER CA C 13 54.681 0.1 . 1 . 372 . . 111 SER CA . 18708 1
372 . 1 1 111 111 SER N N 15 110.225 0.1 . 1 . 370 . . 111 SER N . 18708 1
373 . 1 1 112 112 ILE H H 1 7.837 0.05 . 1 . 374 . . 112 ILE H . 18708 1
374 . 1 1 112 112 ILE C C 13 171.419 0.1 . 1 . 376 . . 112 ILE C . 18708 1
375 . 1 1 112 112 ILE CA C 13 57.239 0.1 . 1 . 375 . . 112 ILE CA . 18708 1
376 . 1 1 112 112 ILE N N 15 117.053 0.1 . 1 . 373 . . 112 ILE N . 18708 1
377 . 1 1 113 113 ILE H H 1 7.592 0.05 . 1 . 378 . . 113 ILE H . 18708 1
378 . 1 1 113 113 ILE C C 13 173.604 0.1 . 1 . 380 . . 113 ILE C . 18708 1
379 . 1 1 113 113 ILE CA C 13 58.318 0.1 . 1 . 379 . . 113 ILE CA . 18708 1
380 . 1 1 113 113 ILE N N 15 121.032 0.1 . 1 . 377 . . 113 ILE N . 18708 1
381 . 1 1 114 114 GLY H H 1 9.575 0.05 . 1 . 382 . . 114 GLY H . 18708 1
382 . 1 1 114 114 GLY C C 13 169.739 0.1 . 1 . 384 . . 114 GLY C . 18708 1
383 . 1 1 114 114 GLY CA C 13 41.910 0.1 . 1 . 383 . . 114 GLY CA . 18708 1
384 . 1 1 114 114 GLY N N 15 112.661 0.1 . 1 . 381 . . 114 GLY N . 18708 1
385 . 1 1 115 115 ARG H H 1 7.464 0.05 . 1 . 386 . . 115 ARG H . 18708 1
386 . 1 1 115 115 ARG C C 13 171.079 0.1 . 1 . 388 . . 115 ARG C . 18708 1
387 . 1 1 115 115 ARG CA C 13 51.663 0.1 . 1 . 387 . . 115 ARG CA . 18708 1
388 . 1 1 115 115 ARG N N 15 118.398 0.1 . 1 . 385 . . 115 ARG N . 18708 1
389 . 1 1 116 116 THR H H 1 6.677 0.05 . 1 . 390 . . 116 THR H . 18708 1
390 . 1 1 116 116 THR C C 13 169.821 0.1 . 1 . 392 . . 116 THR C . 18708 1
391 . 1 1 116 116 THR CA C 13 59.633 0.1 . 1 . 391 . . 116 THR CA . 18708 1
392 . 1 1 116 116 THR N N 15 112.218 0.1 . 1 . 389 . . 116 THR N . 18708 1
393 . 1 1 117 117 LEU H H 1 8.799 0.05 . 1 . 394 . . 117 LEU H . 18708 1
394 . 1 1 117 117 LEU C C 13 171.126 0.1 . 1 . 396 . . 117 LEU C . 18708 1
395 . 1 1 117 117 LEU CA C 13 50.415 0.1 . 1 . 395 . . 117 LEU CA . 18708 1
396 . 1 1 117 117 LEU N N 15 129.477 0.1 . 1 . 393 . . 117 LEU N . 18708 1
397 . 1 1 118 118 VAL H H 1 8.906 0.05 . 1 . 398 . . 118 VAL H . 18708 1
398 . 1 1 118 118 VAL C C 13 170.267 0.1 . 1 . 400 . . 118 VAL C . 18708 1
399 . 1 1 118 118 VAL CA C 13 58.139 0.1 . 1 . 399 . . 118 VAL CA . 18708 1
400 . 1 1 118 118 VAL N N 15 125.091 0.1 . 1 . 397 . . 118 VAL N . 18708 1
401 . 1 1 119 119 VAL H H 1 7.982 0.05 . 1 . 402 . . 119 VAL H . 18708 1
402 . 1 1 119 119 VAL C C 13 171.175 0.1 . 1 . 404 . . 119 VAL C . 18708 1
403 . 1 1 119 119 VAL CA C 13 55.271 0.1 . 1 . 403 . . 119 VAL CA . 18708 1
404 . 1 1 119 119 VAL N N 15 120.716 0.1 . 1 . 401 . . 119 VAL N . 18708 1
405 . 1 1 120 120 HIS H H 1 8.935 0.05 . 1 . 406 . . 120 HIS H . 18708 1
406 . 1 1 120 120 HIS C C 13 172.599 0.1 . 1 . 408 . . 120 HIS C . 18708 1
407 . 1 1 120 120 HIS CA C 13 53.394 0.1 . 1 . 407 . . 120 HIS CA . 18708 1
408 . 1 1 120 120 HIS N N 15 125.052 0.1 . 1 . 405 . . 120 HIS N . 18708 1
409 . 1 1 121 121 GLU H H 1 9.178 0.05 . 1 . 410 . . 121 GLU H . 18708 1
410 . 1 1 121 121 GLU C C 13 172.304 0.1 . 1 . 412 . . 121 GLU C . 18708 1
411 . 1 1 121 121 GLU CA C 13 56.090 0.1 . 1 . 411 . . 121 GLU CA . 18708 1
412 . 1 1 121 121 GLU N N 15 121.453 0.1 . 1 . 409 . . 121 GLU N . 18708 1
413 . 1 1 122 122 LYS H H 1 8.478 0.05 . 1 . 414 . . 122 LYS H . 18708 1
414 . 1 1 122 122 LYS C C 13 171.523 0.1 . 1 . 416 . . 122 LYS C . 18708 1
415 . 1 1 122 122 LYS CA C 13 50.619 0.1 . 1 . 415 . . 122 LYS CA . 18708 1
416 . 1 1 122 122 LYS N N 15 115.248 0.1 . 1 . 413 . . 122 LYS N . 18708 1
417 . 1 1 123 123 ALA H H 1 7.796 0.05 . 1 . 418 . . 123 ALA H . 18708 1
418 . 1 1 123 123 ALA C C 13 173.219 0.1 . 1 . 420 . . 123 ALA C . 18708 1
419 . 1 1 123 123 ALA CA C 13 48.850 0.1 . 1 . 419 . . 123 ALA CA . 18708 1
420 . 1 1 123 123 ALA N N 15 120.866 0.1 . 1 . 417 . . 123 ALA N . 18708 1
421 . 1 1 124 124 ASP H H 1 10.165 0.05 . 1 . 422 . . 124 ASP H . 18708 1
422 . 1 1 124 124 ASP C C 13 174.458 0.1 . 1 . 424 . . 124 ASP C . 18708 1
423 . 1 1 124 124 ASP CA C 13 49.408 0.1 . 1 . 423 . . 124 ASP CA . 18708 1
424 . 1 1 124 124 ASP N N 15 121.799 0.1 . 1 . 421 . . 124 ASP N . 18708 1
425 . 1 1 125 125 ASP H H 1 10.055 0.05 . 1 . 426 . . 125 ASP H . 18708 1
426 . 1 1 125 125 ASP C C 13 175.231 0.1 . 1 . 428 . . 125 ASP C . 18708 1
427 . 1 1 125 125 ASP CA C 13 50.939 0.1 . 1 . 427 . . 125 ASP CA . 18708 1
428 . 1 1 125 125 ASP N N 15 129.369 0.1 . 1 . 425 . . 125 ASP N . 18708 1
429 . 1 1 126 126 LEU H H 1 10.483 0.05 . 1 . 430 . . 126 LEU H . 18708 1
430 . 1 1 126 126 LEU C C 13 173.964 0.1 . 1 . 431 . . 126 LEU C . 18708 1
431 . 1 1 126 126 LEU N N 15 117.190 0.1 . 1 . 429 . . 126 LEU N . 18708 1
432 . 1 1 127 127 GLY H H 1 8.637 0.05 . 1 . 433 . . 127 GLY H . 18708 1
433 . 1 1 127 127 GLY CA C 13 42.878 0.1 . 1 . 434 . . 127 GLY CA . 18708 1
434 . 1 1 127 127 GLY N N 15 103.809 0.1 . 1 . 432 . . 127 GLY N . 18708 1
435 . 1 1 128 128 LYS H H 1 7.158 0.05 . 1 . 436 . . 128 LYS H . 18708 1
436 . 1 1 128 128 LYS CA C 13 51.740 0.1 . 1 . 437 . . 128 LYS CA . 18708 1
437 . 1 1 128 128 LYS N N 15 118.290 0.1 . 1 . 435 . . 128 LYS N . 18708 1
438 . 1 1 129 129 GLY H H 1 8.913 0.05 . 1 . 439 . . 129 GLY H . 18708 1
439 . 1 1 129 129 GLY C C 13 171.524 0.1 . 1 . 441 . . 129 GLY C . 18708 1
440 . 1 1 129 129 GLY CA C 13 42.113 0.1 . 1 . 440 . . 129 GLY CA . 18708 1
441 . 1 1 129 129 GLY N N 15 108.507 0.1 . 1 . 438 . . 129 GLY N . 18708 1
442 . 1 1 130 130 GLY H H 1 8.723 0.05 . 1 . 443 . . 130 GLY H . 18708 1
443 . 1 1 130 130 GLY C C 13 169.994 0.1 . 1 . 445 . . 130 GLY C . 18708 1
444 . 1 1 130 130 GLY CA C 13 42.419 0.1 . 1 . 444 . . 130 GLY CA . 18708 1
445 . 1 1 130 130 GLY N N 15 108.537 0.1 . 1 . 442 . . 130 GLY N . 18708 1
446 . 1 1 131 131 ASN H H 1 7.152 0.05 . 1 . 447 . . 131 ASN H . 18708 1
447 . 1 1 131 131 ASN C C 13 172.236 0.1 . 1 . 448 . . 131 ASN C . 18708 1
448 . 1 1 131 131 ASN N N 15 111.951 0.1 . 1 . 446 . . 131 ASN N . 18708 1
449 . 1 1 132 132 GLU H H 1 8.935 0.05 . 1 . 450 . . 132 GLU H . 18708 1
450 . 1 1 132 132 GLU C C 13 171.084 0.1 . 1 . 451 . . 132 GLU C . 18708 1
451 . 1 1 132 132 GLU N N 15 120.461 0.1 . 1 . 449 . . 132 GLU N . 18708 1
452 . 1 1 133 133 GLU H H 1 8.775 0.05 . 1 . 453 . . 133 GLU H . 18708 1
453 . 1 1 133 133 GLU C C 13 176.239 0.1 . 1 . 454 . . 133 GLU C . 18708 1
454 . 1 1 133 133 GLU N N 15 120.137 0.1 . 1 . 452 . . 133 GLU N . 18708 1
455 . 1 1 134 134 SER H H 1 8.117 0.05 . 1 . 456 . . 134 SER H . 18708 1
456 . 1 1 134 134 SER CA C 13 59.046 0.1 . 1 . 457 . . 134 SER CA . 18708 1
457 . 1 1 134 134 SER N N 15 114.981 0.1 . 1 . 455 . . 134 SER N . 18708 1
458 . 1 1 135 135 THR H H 1 7.206 0.05 . 1 . 459 . . 135 THR H . 18708 1
459 . 1 1 135 135 THR C C 13 172.804 0.1 . 1 . 461 . . 135 THR C . 18708 1
460 . 1 1 135 135 THR CA C 13 60.029 0.1 . 1 . 460 . . 135 THR CA . 18708 1
461 . 1 1 135 135 THR N N 15 102.263 0.1 . 1 . 458 . . 135 THR N . 18708 1
462 . 1 1 136 136 LYS H H 1 7.884 0.05 . 1 . 463 . . 136 LYS H . 18708 1
463 . 1 1 136 136 LYS N N 15 122.108 0.1 . 1 . 462 . . 136 LYS N . 18708 1
464 . 1 1 137 137 THR H H 1 8.630 0.05 . 1 . 465 . . 137 THR H . 18708 1
465 . 1 1 137 137 THR N N 15 105.718 0.1 . 1 . 464 . . 137 THR N . 18708 1
466 . 1 1 138 138 GLY H H 1 7.426 0.05 . 1 . 467 . . 138 GLY H . 18708 1
467 . 1 1 138 138 GLY CA C 13 42.483 0.1 . 1 . 468 . . 138 GLY CA . 18708 1
468 . 1 1 138 138 GLY N N 15 111.372 0.1 . 1 . 466 . . 138 GLY N . 18708 1
469 . 1 1 139 139 ASN H H 1 7.545 0.05 . 1 . 470 . . 139 ASN H . 18708 1
470 . 1 1 139 139 ASN N N 15 107.496 0.1 . 1 . 469 . . 139 ASN N . 18708 1
471 . 1 1 140 140 ALA H H 1 6.368 0.05 . 1 . 472 . . 140 ALA H . 18708 1
472 . 1 1 140 140 ALA C C 13 173.571 0.1 . 1 . 473 . . 140 ALA C . 18708 1
473 . 1 1 140 140 ALA N N 15 114.542 0.1 . 1 . 471 . . 140 ALA N . 18708 1
474 . 1 1 141 141 GLY H H 1 8.271 0.05 . 1 . 475 . . 141 GLY H . 18708 1
475 . 1 1 141 141 GLY C C 13 173.542 0.1 . 1 . 476 . . 141 GLY C . 18708 1
476 . 1 1 141 141 GLY N N 15 105.287 0.1 . 1 . 474 . . 141 GLY N . 18708 1
477 . 1 1 142 142 SER H H 1 9.196 0.05 . 1 . 478 . . 142 SER H . 18708 1
478 . 1 1 142 142 SER C C 13 170.188 0.1 . 1 . 479 . . 142 SER C . 18708 1
479 . 1 1 142 142 SER N N 15 118.771 0.1 . 1 . 477 . . 142 SER N . 18708 1
480 . 1 1 143 143 ARG H H 1 8.943 0.05 . 1 . 481 . . 143 ARG H . 18708 1
481 . 1 1 143 143 ARG C C 13 171.596 0.1 . 1 . 482 . . 143 ARG C . 18708 1
482 . 1 1 143 143 ARG N N 15 120.189 0.1 . 1 . 480 . . 143 ARG N . 18708 1
483 . 1 1 144 144 LEU H H 1 8.395 0.05 . 1 . 484 . . 144 LEU H . 18708 1
484 . 1 1 144 144 LEU C C 13 174.393 0.1 . 1 . 486 . . 144 LEU C . 18708 1
485 . 1 1 144 144 LEU CA C 13 53.375 0.1 . 1 . 485 . . 144 LEU CA . 18708 1
486 . 1 1 144 144 LEU N N 15 122.907 0.1 . 1 . 483 . . 144 LEU N . 18708 1
487 . 1 1 145 145 ALA H H 1 7.356 0.05 . 1 . 488 . . 145 ALA H . 18708 1
488 . 1 1 145 145 ALA C C 13 171.752 0.1 . 1 . 490 . . 145 ALA C . 18708 1
489 . 1 1 145 145 ALA CA C 13 48.129 0.1 . 1 . 489 . . 145 ALA CA . 18708 1
490 . 1 1 145 145 ALA N N 15 114.159 0.1 . 1 . 487 . . 145 ALA N . 18708 1
491 . 1 1 146 146 CYS H H 1 9.008 0.05 . 1 . 492 . . 146 CYS H . 18708 1
492 . 1 1 146 146 CYS C C 13 170.087 0.1 . 1 . 494 . . 146 CYS C . 18708 1
493 . 1 1 146 146 CYS CA C 13 51.077 0.1 . 1 . 493 . . 146 CYS CA . 18708 1
494 . 1 1 146 146 CYS N N 15 110.738 0.1 . 1 . 491 . . 146 CYS N . 18708 1
495 . 1 1 147 147 GLY H H 1 8.018 0.05 . 1 . 496 . . 147 GLY H . 18708 1
496 . 1 1 147 147 GLY C C 13 167.909 0.1 . 1 . 498 . . 147 GLY C . 18708 1
497 . 1 1 147 147 GLY CA C 13 42.674 0.1 . 1 . 497 . . 147 GLY CA . 18708 1
498 . 1 1 147 147 GLY N N 15 106.461 0.1 . 1 . 495 . . 147 GLY N . 18708 1
499 . 1 1 148 148 VAL H H 1 8.434 0.05 . 1 . 500 . . 148 VAL H . 18708 1
500 . 1 1 148 148 VAL C C 13 172.084 0.1 . 1 . 502 . . 148 VAL C . 18708 1
501 . 1 1 148 148 VAL CA C 13 59.635 0.1 . 1 . 501 . . 148 VAL CA . 18708 1
502 . 1 1 148 148 VAL N N 15 124.054 0.1 . 1 . 499 . . 148 VAL N . 18708 1
503 . 1 1 149 149 ILE H H 1 8.613 0.05 . 1 . 504 . . 149 ILE H . 18708 1
504 . 1 1 149 149 ILE C C 13 171.804 0.1 . 1 . 506 . . 149 ILE C . 18708 1
505 . 1 1 149 149 ILE CA C 13 59.184 0.1 . 1 . 505 . . 149 ILE CA . 18708 1
506 . 1 1 149 149 ILE N N 15 126.918 0.1 . 1 . 503 . . 149 ILE N . 18708 1
507 . 1 1 150 150 GLY H H 1 9.283 0.05 . 1 . 508 . . 150 GLY H . 18708 1
508 . 1 1 150 150 GLY C C 13 170.188 0.1 . 1 . 510 . . 150 GLY C . 18708 1
509 . 1 1 150 150 GLY CA C 13 40.120 0.1 . 1 . 509 . . 150 GLY CA . 18708 1
510 . 1 1 150 150 GLY N N 15 116.493 0.1 . 1 . 507 . . 150 GLY N . 18708 1
511 . 1 1 151 151 ILE H H 1 8.943 0.05 . 1 . 512 . . 151 ILE H . 18708 1
512 . 1 1 151 151 ILE C C 13 172.231 0.1 . 1 . 514 . . 151 ILE C . 18708 1
513 . 1 1 151 151 ILE CA C 13 60.372 0.1 . 1 . 513 . . 151 ILE CA . 18708 1
514 . 1 1 151 151 ILE N N 15 120.189 0.1 . 1 . 511 . . 151 ILE N . 18708 1
515 . 1 1 152 152 ALA H H 1 8.170 0.05 . 1 . 516 . . 152 ALA H . 18708 1
516 . 1 1 152 152 ALA CA C 13 46.772 0.1 . 1 . 517 . . 152 ALA CA . 18708 1
517 . 1 1 152 152 ALA N N 15 129.719 0.1 . 1 . 515 . . 152 ALA N . 18708 1
stop_
save_