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 50444
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'GMCSF Low pH'
_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' . . . 50444 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 . . 50444 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 1 1 ALA H H 1 8.261 0.02 . 1 . . . . . 3 A H . 50444 1
2 . 1 . 1 1 1 ALA N N 15 125.566 0.25 . 1 . . . . . 3 A N . 50444 1
3 . 1 . 1 2 2 ARG H H 1 8.173 0.02 . 1 . . . . . 4 R H . 50444 1
4 . 1 . 1 2 2 ARG N N 15 121.346 0.25 . 1 . . . . . 4 R N . 50444 1
5 . 1 . 1 3 3 SER H H 1 8.264 0.02 . 1 . . . . . 5 S H . 50444 1
6 . 1 . 1 3 3 SER N N 15 119.922 0.25 . 1 . . . . . 5 S N . 50444 1
7 . 1 . 1 5 5 SER H H 1 8.211 0.02 . 1 . . . . . 7 S H . 50444 1
8 . 1 . 1 5 5 SER N N 15 116.483 0.25 . 1 . . . . . 7 S N . 50444 1
9 . 1 . 1 7 7 SER H H 1 8.255 0.02 . 1 . . . . . 9 S H . 50444 1
10 . 1 . 1 7 7 SER N N 15 118.552 0.25 . 1 . . . . . 9 S N . 50444 1
11 . 1 . 1 8 8 THR H H 1 7.962 0.02 . 1 . . . . . 10 T H . 50444 1
12 . 1 . 1 8 8 THR N N 15 116.343 0.25 . 1 . . . . . 10 T N . 50444 1
13 . 1 . 1 11 11 TRP H H 1 8.798 0.02 . 1 . . . . . 13 W H . 50444 1
14 . 1 . 1 11 11 TRP N N 15 125.211 0.25 . 1 . . . . . 13 W N . 50444 1
15 . 1 . 1 15 15 ASN H H 1 7.718 0.02 . 1 . . . . . 17 N H . 50444 1
16 . 1 . 1 15 15 ASN N N 15 117.978 0.25 . 1 . . . . . 17 N N . 50444 1
17 . 1 . 1 16 16 ALA H H 1 7.465 0.02 . 1 . . . . . 18 A H . 50444 1
18 . 1 . 1 16 16 ALA N N 15 123.230 0.25 . 1 . . . . . 18 A N . 50444 1
19 . 1 . 1 17 17 ILE H H 1 7.644 0.02 . 1 . . . . . 19 I H . 50444 1
20 . 1 . 1 17 17 ILE N N 15 119.107 0.25 . 1 . . . . . 19 I N . 50444 1
21 . 1 . 1 18 18 GLN H H 1 7.931 0.02 . 1 . . . . . 20 Q H . 50444 1
22 . 1 . 1 18 18 GLN N N 15 118.334 0.25 . 1 . . . . . 20 Q N . 50444 1
23 . 1 . 1 19 19 GLU H H 1 8.386 0.02 . 1 . . . . . 21 E H . 50444 1
24 . 1 . 1 19 19 GLU N N 15 122.070 0.25 . 1 . . . . . 21 E N . 50444 1
25 . 1 . 1 20 20 ALA H H 1 8.272 0.02 . 1 . . . . . 22 A H . 50444 1
26 . 1 . 1 20 20 ALA N N 15 122.370 0.25 . 1 . . . . . 22 A N . 50444 1
27 . 1 . 1 21 21 ARG H H 1 8.098 0.02 . 1 . . . . . 23 R H . 50444 1
28 . 1 . 1 21 21 ARG N N 15 115.760 0.25 . 1 . . . . . 23 R N . 50444 1
29 . 1 . 1 22 22 ARG H H 1 7.705 0.02 . 1 . . . . . 24 R H . 50444 1
30 . 1 . 1 22 22 ARG N N 15 120.863 0.25 . 1 . . . . . 24 R N . 50444 1
31 . 1 . 1 23 23 LEU H H 1 8.343 0.02 . 1 . . . . . 25 L H . 50444 1
32 . 1 . 1 23 23 LEU N N 15 119.458 0.25 . 1 . . . . . 25 L N . 50444 1
33 . 1 . 1 24 24 LEU H H 1 7.626 0.02 . 1 . . . . . 26 L H . 50444 1
34 . 1 . 1 24 24 LEU N N 15 120.955 0.25 . 1 . . . . . 26 L N . 50444 1
35 . 1 . 1 25 25 ASN H H 1 7.555 0.02 . 1 . . . . . 27 N H . 50444 1
36 . 1 . 1 25 25 ASN N N 15 118.319 0.25 . 1 . . . . . 27 N N . 50444 1
37 . 1 . 1 26 26 LEU H H 1 7.324 0.02 . 1 . . . . . 28 L H . 50444 1
38 . 1 . 1 26 26 LEU N N 15 118.607 0.25 . 1 . . . . . 28 L N . 50444 1
39 . 1 . 1 27 27 SER H H 1 7.211 0.02 . 1 . . . . . 29 S H . 50444 1
40 . 1 . 1 27 27 SER N N 15 116.361 0.25 . 1 . . . . . 29 S N . 50444 1
41 . 1 . 1 28 28 ARG H H 1 8.021 0.02 . 1 . . . . . 30 R H . 50444 1
42 . 1 . 1 28 28 ARG N N 15 125.553 0.25 . 1 . . . . . 30 R N . 50444 1
43 . 1 . 1 29 29 ASP H H 1 8.313 0.02 . 1 . . . . . 31 D H . 50444 1
44 . 1 . 1 29 29 ASP N N 15 122.233 0.25 . 1 . . . . . 31 D N . 50444 1
45 . 1 . 1 30 30 THR H H 1 8.264 0.02 . 1 . . . . . 32 T H . 50444 1
46 . 1 . 1 30 30 THR N N 15 114.854 0.25 . 1 . . . . . 32 T N . 50444 1
47 . 1 . 1 31 31 ALA H H 1 8.433 0.02 . 1 . . . . . 33 A H . 50444 1
48 . 1 . 1 31 31 ALA N N 15 126.477 0.25 . 1 . . . . . 33 A N . 50444 1
49 . 1 . 1 33 33 GLU H H 1 7.984 0.02 . 1 . . . . . 35 E H . 50444 1
50 . 1 . 1 33 33 GLU N N 15 119.902 0.25 . 1 . . . . . 35 E N . 50444 1
51 . 1 . 1 34 34 MET H H 1 7.693 0.02 . 1 . . . . . 36 M H . 50444 1
52 . 1 . 1 34 34 MET N N 15 118.240 0.25 . 1 . . . . . 36 M N . 50444 1
53 . 1 . 1 36 36 GLU H H 1 7.534 0.02 . 1 . . . . . 38 E H . 50444 1
54 . 1 . 1 36 36 GLU N N 15 121.442 0.25 . 1 . . . . . 38 E N . 50444 1
55 . 1 . 1 37 37 THR H H 1 8.043 0.02 . 1 . . . . . 39 T H . 50444 1
56 . 1 . 1 37 37 THR N N 15 113.365 0.25 . 1 . . . . . 39 T N . 50444 1
57 . 1 . 1 38 38 VAL H H 1 8.910 0.02 . 1 . . . . . 40 V H . 50444 1
58 . 1 . 1 38 38 VAL N N 15 117.161 0.25 . 1 . . . . . 40 V N . 50444 1
59 . 1 . 1 39 39 GLU H H 1 7.690 0.02 . 1 . . . . . 41 E H . 50444 1
60 . 1 . 1 39 39 GLU N N 15 124.201 0.25 . 1 . . . . . 41 E N . 50444 1
61 . 1 . 1 40 40 VAL H H 1 8.423 0.02 . 1 . . . . . 42 V H . 50444 1
62 . 1 . 1 40 40 VAL N N 15 114.815 0.25 . 1 . . . . . 42 V N . 50444 1
63 . 1 . 1 42 42 SER H H 1 8.494 0.02 . 1 . . . . . 44 S H . 50444 1
64 . 1 . 1 42 42 SER N N 15 124.119 0.25 . 1 . . . . . 44 S N . 50444 1
65 . 1 . 1 43 43 GLU H H 1 8.236 0.02 . 1 . . . . . 45 E H . 50444 1
66 . 1 . 1 43 43 GLU N N 15 124.117 0.25 . 1 . . . . . 45 E N . 50444 1
67 . 1 . 1 45 45 PHE N N 15 65.186 0.25 . 1 . . . . . 47 F N . 50444 1
68 . 1 . 1 46 46 ASP H H 1 8.180 0.02 . 1 . . . . . 48 D H . 50444 1
69 . 1 . 1 46 46 ASP N N 15 129.937 0.25 . 1 . . . . . 48 D N . 50444 1
70 . 1 . 1 47 47 LEU H H 1 8.074 0.02 . 1 . . . . . 49 L H . 50444 1
71 . 1 . 1 47 47 LEU N N 15 124.819 0.25 . 1 . . . . . 49 L N . 50444 1
72 . 1 . 1 48 48 GLN H H 1 7.877 0.02 . 1 . . . . . 50 Q H . 50444 1
73 . 1 . 1 48 48 GLN N N 15 115.060 0.25 . 1 . . . . . 50 Q N . 50444 1
74 . 1 . 1 49 49 GLU H H 1 6.862 0.02 . 1 . . . . . 51 E H . 50444 1
75 . 1 . 1 49 49 GLU N N 15 117.366 0.25 . 1 . . . . . 51 E N . 50444 1
76 . 1 . 1 51 51 THR H H 1 7.307 0.02 . 1 . . . . . 53 T H . 50444 1
77 . 1 . 1 51 51 THR N N 15 111.143 0.25 . 1 . . . . . 53 T N . 50444 1
78 . 1 . 1 52 52 CYS H H 1 8.157 0.02 . 1 . . . . . 54 C H . 50444 1
79 . 1 . 1 52 52 CYS N N 15 123.799 0.25 . 1 . . . . . 54 C N . 50444 1
80 . 1 . 1 53 53 LEU H H 1 7.709 0.02 . 1 . . . . . 55 L H . 50444 1
81 . 1 . 1 53 53 LEU N N 15 120.478 0.25 . 1 . . . . . 55 L N . 50444 1
82 . 1 . 1 54 54 GLN H H 1 7.962 0.02 . 1 . . . . . 56 Q H . 50444 1
83 . 1 . 1 54 54 GLN N N 15 120.619 0.25 . 1 . . . . . 56 Q N . 50444 1
84 . 1 . 1 55 55 THR H H 1 9.067 0.02 . 1 . . . . . 57 T H . 50444 1
85 . 1 . 1 55 55 THR N N 15 120.406 0.25 . 1 . . . . . 57 T N . 50444 1
86 . 1 . 1 56 56 ARG H H 1 8.182 0.02 . 1 . . . . . 58 R H . 50444 1
87 . 1 . 1 56 56 ARG N N 15 123.011 0.25 . 1 . . . . . 58 R N . 50444 1
88 . 1 . 1 57 57 LEU H H 1 7.559 0.02 . 1 . . . . . 59 L H . 50444 1
89 . 1 . 1 57 57 LEU N N 15 117.860 0.25 . 1 . . . . . 59 L N . 50444 1
90 . 1 . 1 60 60 TYR H H 1 8.513 0.02 . 1 . . . . . 62 Y H . 50444 1
91 . 1 . 1 60 60 TYR N N 15 120.457 0.25 . 1 . . . . . 62 Y N . 50444 1
92 . 1 . 1 61 61 LYS H H 1 7.932 0.02 . 1 . . . . . 63 K H . 50444 1
93 . 1 . 1 61 61 LYS N N 15 117.489 0.25 . 1 . . . . . 63 K N . 50444 1
94 . 1 . 1 62 62 GLN H H 1 8.062 0.02 . 1 . . . . . 64 Q H . 50444 1
95 . 1 . 1 62 62 GLN N N 15 117.477 0.25 . 1 . . . . . 64 Q N . 50444 1
96 . 1 . 1 63 63 GLY H H 1 7.699 0.02 . 1 . . . . . 65 G H . 50444 1
97 . 1 . 1 63 63 GLY N N 15 107.250 0.25 . 1 . . . . . 65 G N . 50444 1
98 . 1 . 1 64 64 LEU H H 1 6.709 0.02 . 1 . . . . . 66 L H . 50444 1
99 . 1 . 1 64 64 LEU N N 15 115.604 0.25 . 1 . . . . . 66 L N . 50444 1
100 . 1 . 1 65 65 ARG H H 1 6.472 0.02 . 1 . . . . . 67 R H . 50444 1
101 . 1 . 1 65 65 ARG N N 15 118.589 0.25 . 1 . . . . . 67 R N . 50444 1
102 . 1 . 1 66 66 GLY H H 1 8.703 0.02 . 1 . . . . . 68 G H . 50444 1
103 . 1 . 1 66 66 GLY N N 15 109.789 0.25 . 1 . . . . . 68 G N . 50444 1
104 . 1 . 1 68 68 LEU H H 1 7.898 0.02 . 1 . . . . . 70 L H . 50444 1
105 . 1 . 1 68 68 LEU N N 15 119.876 0.25 . 1 . . . . . 70 L N . 50444 1
106 . 1 . 1 69 69 THR H H 1 7.825 0.02 . 1 . . . . . 71 T H . 50444 1
107 . 1 . 1 69 69 THR N N 15 114.108 0.25 . 1 . . . . . 71 T N . 50444 1
108 . 1 . 1 70 70 LYS H H 1 7.157 0.02 . 1 . . . . . 72 K H . 50444 1
109 . 1 . 1 70 70 LYS N N 15 120.436 0.25 . 1 . . . . . 72 K N . 50444 1
110 . 1 . 1 71 71 LEU H H 1 8.031 0.02 . 1 . . . . . 73 L H . 50444 1
111 . 1 . 1 71 71 LEU N N 15 118.766 0.25 . 1 . . . . . 73 L N . 50444 1
112 . 1 . 1 72 72 LYS H H 1 7.615 0.02 . 1 . . . . . 74 K H . 50444 1
113 . 1 . 1 72 72 LYS N N 15 123.183 0.25 . 1 . . . . . 74 K N . 50444 1
114 . 1 . 1 73 73 GLY H H 1 8.505 0.02 . 1 . . . . . 75 G H . 50444 1
115 . 1 . 1 73 73 GLY N N 15 108.083 0.25 . 1 . . . . . 75 G N . 50444 1
116 . 1 . 1 75 75 LEU H H 1 8.093 0.02 . 1 . . . . . 77 L H . 50444 1
117 . 1 . 1 75 75 LEU N N 15 116.132 0.25 . 1 . . . . . 77 L N . 50444 1
118 . 1 . 1 76 76 THR H H 1 7.978 0.02 . 1 . . . . . 78 T H . 50444 1
119 . 1 . 1 76 76 THR N N 15 118.446 0.25 . 1 . . . . . 78 T N . 50444 1
120 . 1 . 1 77 77 MET H H 1 8.378 0.02 . 1 . . . . . 79 M H . 50444 1
121 . 1 . 1 77 77 MET N N 15 121.176 0.25 . 1 . . . . . 79 M N . 50444 1
122 . 1 . 1 78 78 MET H H 1 8.016 0.02 . 1 . . . . . 80 M H . 50444 1
123 . 1 . 1 78 78 MET N N 15 121.195 0.25 . 1 . . . . . 80 M N . 50444 1
124 . 1 . 1 79 79 ALA H H 1 8.065 0.02 . 1 . . . . . 81 A H . 50444 1
125 . 1 . 1 79 79 ALA N N 15 121.008 0.25 . 1 . . . . . 81 A N . 50444 1
126 . 1 . 1 80 80 SER H H 1 8.054 0.02 . 1 . . . . . 82 S H . 50444 1
127 . 1 . 1 80 80 SER N N 15 113.517 0.25 . 1 . . . . . 82 S N . 50444 1
128 . 1 . 1 81 81 HIS H H 1 8.012 0.02 . 1 . . . . . 83 H H . 50444 1
129 . 1 . 1 81 81 HIS N N 15 122.122 0.25 . 1 . . . . . 83 H N . 50444 1
130 . 1 . 1 82 82 TYR H H 1 8.094 0.02 . 1 . . . . . 84 Y H . 50444 1
131 . 1 . 1 82 82 TYR N N 15 117.365 0.25 . 1 . . . . . 84 Y N . 50444 1
132 . 1 . 1 83 83 LYS H H 1 7.841 0.02 . 1 . . . . . 85 K H . 50444 1
133 . 1 . 1 83 83 LYS N N 15 120.171 0.25 . 1 . . . . . 85 K N . 50444 1
134 . 1 . 1 84 84 GLN H H 1 7.677 0.02 . 1 . . . . . 86 Q H . 50444 1
135 . 1 . 1 84 84 GLN N N 15 114.832 0.25 . 1 . . . . . 86 Q N . 50444 1
136 . 1 . 1 85 85 HIS H H 1 7.690 0.02 . 1 . . . . . 87 H H . 50444 1
137 . 1 . 1 85 85 HIS N N 15 112.271 0.25 . 1 . . . . . 87 H N . 50444 1
138 . 1 . 1 86 86 CYS H H 1 7.493 0.02 . 1 . . . . . 88 C H . 50444 1
139 . 1 . 1 86 86 CYS N N 15 116.313 0.25 . 1 . . . . . 88 C N . 50444 1
140 . 1 . 1 93 93 SER H H 1 8.393 0.02 . 1 . . . . . 95 S H . 50444 1
141 . 1 . 1 93 93 SER N N 15 119.803 0.25 . 1 . . . . . 95 S N . 50444 1
142 . 1 . 1 94 94 CYS H H 1 8.328 0.02 . 1 . . . . . 96 C H . 50444 1
143 . 1 . 1 94 94 CYS N N 15 123.910 0.25 . 1 . . . . . 96 C N . 50444 1
144 . 1 . 1 96 96 THR H H 1 7.969 0.02 . 1 . . . . . 98 T H . 50444 1
145 . 1 . 1 96 96 THR N N 15 110.944 0.25 . 1 . . . . . 98 T N . 50444 1
146 . 1 . 1 97 97 GLN H H 1 8.804 0.02 . 1 . . . . . 99 Q H . 50444 1
147 . 1 . 1 97 97 GLN N N 15 117.503 0.25 . 1 . . . . . 99 Q N . 50444 1
148 . 1 . 1 98 98 ILE H H 1 8.222 0.02 . 1 . . . . . 100 I H . 50444 1
149 . 1 . 1 98 98 ILE N N 15 123.074 0.25 . 1 . . . . . 100 I N . 50444 1
150 . 1 . 1 99 99 ILE H H 1 8.893 0.02 . 1 . . . . . 101 I H . 50444 1
151 . 1 . 1 99 99 ILE N N 15 123.201 0.25 . 1 . . . . . 101 I N . 50444 1
152 . 1 . 1 100 100 THR H H 1 8.099 0.02 . 1 . . . . . 102 T H . 50444 1
153 . 1 . 1 100 100 THR N N 15 109.737 0.25 . 1 . . . . . 102 T N . 50444 1
154 . 1 . 1 101 101 PHE H H 1 8.609 0.02 . 1 . . . . . 103 F H . 50444 1
155 . 1 . 1 101 101 PHE N N 15 123.397 0.25 . 1 . . . . . 103 F N . 50444 1
156 . 1 . 1 102 102 GLU H H 1 8.582 0.02 . 1 . . . . . 104 E H . 50444 1
157 . 1 . 1 102 102 GLU N N 15 118.548 0.25 . 1 . . . . . 104 E N . 50444 1
158 . 1 . 1 103 103 SER H H 1 7.553 0.02 . 1 . . . . . 105 S H . 50444 1
159 . 1 . 1 103 103 SER N N 15 116.775 0.25 . 1 . . . . . 105 S N . 50444 1
160 . 1 . 1 104 104 PHE H H 1 8.803 0.02 . 1 . . . . . 106 F H . 50444 1
161 . 1 . 1 104 104 PHE N N 15 127.123 0.25 . 1 . . . . . 106 F N . 50444 1
162 . 1 . 1 105 105 LYS H H 1 7.719 0.02 . 1 . . . . . 107 K H . 50444 1
163 . 1 . 1 105 105 LYS N N 15 119.415 0.25 . 1 . . . . . 107 K N . 50444 1
164 . 1 . 1 106 106 GLU H H 1 6.803 0.02 . 1 . . . . . 108 E H . 50444 1
165 . 1 . 1 106 106 GLU N N 15 118.434 0.25 . 1 . . . . . 108 E N . 50444 1
166 . 1 . 1 107 107 ASN H H 1 8.022 0.02 . 1 . . . . . 109 N H . 50444 1
167 . 1 . 1 107 107 ASN N N 15 120.978 0.25 . 1 . . . . . 109 N N . 50444 1
168 . 1 . 1 108 108 LEU H H 1 8.208 0.02 . 1 . . . . . 110 L H . 50444 1
169 . 1 . 1 108 108 LEU N N 15 120.448 0.25 . 1 . . . . . 110 L N . 50444 1
170 . 1 . 1 110 110 ASP H H 1 7.924 0.02 . 1 . . . . . 112 D H . 50444 1
171 . 1 . 1 110 110 ASP N N 15 118.658 0.25 . 1 . . . . . 112 D N . 50444 1
172 . 1 . 1 111 111 PHE H H 1 7.840 0.02 . 1 . . . . . 113 F H . 50444 1
173 . 1 . 1 111 111 PHE N N 15 122.621 0.25 . 1 . . . . . 113 F N . 50444 1
174 . 1 . 1 112 112 LEU H H 1 8.237 0.02 . 1 . . . . . 114 L H . 50444 1
175 . 1 . 1 112 112 LEU N N 15 117.113 0.25 . 1 . . . . . 114 L N . 50444 1
176 . 1 . 1 113 113 LEU H H 1 7.398 0.02 . 1 . . . . . 115 L H . 50444 1
177 . 1 . 1 113 113 LEU N N 15 118.931 0.25 . 1 . . . . . 115 L N . 50444 1
178 . 1 . 1 114 114 VAL H H 1 7.080 0.02 . 1 . . . . . 116 V H . 50444 1
179 . 1 . 1 114 114 VAL N N 15 115.196 0.25 . 1 . . . . . 116 V N . 50444 1
180 . 1 . 1 115 115 ILE H H 1 6.962 0.02 . 1 . . . . . 117 I H . 50444 1
181 . 1 . 1 115 115 ILE N N 15 122.132 0.25 . 1 . . . . . 117 I N . 50444 1
182 . 1 . 1 117 117 PHE H H 1 8.599 0.02 . 1 . . . . . 119 F H . 50444 1
183 . 1 . 1 117 117 PHE N N 15 121.567 0.25 . 1 . . . . . 119 F N . 50444 1
184 . 1 . 1 118 118 ASP H H 1 8.003 0.02 . 1 . . . . . 120 D H . 50444 1
185 . 1 . 1 118 118 ASP N N 15 118.819 0.25 . 1 . . . . . 120 D N . 50444 1
186 . 1 . 1 119 119 CYS H H 1 8.154 0.02 . 1 . . . . . 121 C H . 50444 1
187 . 1 . 1 119 119 CYS N N 15 116.450 0.25 . 1 . . . . . 121 C N . 50444 1
188 . 1 . 1 120 120 TRP H H 1 10.531 0.02 . 1 . . . . . 122 W H . 50444 1
189 . 1 . 1 120 120 TRP N N 15 119.395 0.25 . 1 . . . . . 122 W N . 50444 1
190 . 1 . 1 123 123 VAL H H 1 8.332 0.02 . 1 . . . . . 125 V H . 50444 1
191 . 1 . 1 123 123 VAL N N 15 122.246 0.25 . 1 . . . . . 125 V N . 50444 1
192 . 1 . 1 124 124 GLN H H 1 8.360 0.02 . 1 . . . . . 126 Q H . 50444 1
193 . 1 . 1 124 124 GLN N N 15 126.275 0.25 . 1 . . . . . 126 Q N . 50444 1
194 . 1 . 1 125 125 GLU H H 1 7.989 0.02 . 1 . . . . . 127 E H . 50444 1
195 . 1 . 1 125 125 GLU N N 15 129.354 0.25 . 1 . . . . . 127 E N . 50444 1
stop_
save_