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 36105
_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 $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-1H TOCSY' 1 $sample_1 isotropic 36105 1
2 '2D 1H-1H NOESY' 1 $sample_1 isotropic 36105 1
3 '2D 1H-15N HSQC' 1 $sample_1 isotropic 36105 1
4 '2D 1H-13C HSQC' 1 $sample_1 isotropic 36105 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 1 1 GLY H H 1 7.920 0.003 . 1 . 57 . A 1 GLY H1 . 36105 1
2 . 1 1 1 1 GLY HA2 H 1 3.753 0.018 . 2 . 58 . A 1 GLY HA2 . 36105 1
3 . 1 1 1 1 GLY HA3 H 1 3.710 0.002 . 2 . 59 . A 1 GLY HA3 . 36105 1
4 . 1 1 1 1 GLY CA C 13 43.132 0.032 . 1 . 121 . A 1 GLY CA . 36105 1
5 . 1 1 2 2 PHE H H 1 8.468 0.003 . 1 . 11 . A 2 PHE H . 36105 1
6 . 1 1 2 2 PHE HA H 1 4.529 0.001 . 1 . 92 . A 2 PHE HA . 36105 1
7 . 1 1 2 2 PHE HB2 H 1 2.751 0.002 . 2 . 109 . A 2 PHE HB2 . 36105 1
8 . 1 1 2 2 PHE HB3 H 1 2.751 0.002 . 2 . 108 . A 2 PHE HB3 . 36105 1
9 . 1 1 2 2 PHE HD1 H 1 7.037 0.002 . 3 . 198 . A 2 PHE HD1 . 36105 1
10 . 1 1 2 2 PHE HD2 H 1 7.037 0.002 . 3 . 198 . A 2 PHE HD2 . 36105 1
11 . 1 1 2 2 PHE HE1 H 1 7.156 . . 3 . 204 . A 2 PHE HE1 . 36105 1
12 . 1 1 2 2 PHE HE2 H 1 7.156 . . 3 . 204 . A 2 PHE HE2 . 36105 1
13 . 1 1 2 2 PHE HZ H 1 7.156 . . 1 . 205 . A 2 PHE HZ . 36105 1
14 . 1 1 2 2 PHE CA C 13 57.540 . . 1 . 134 . A 2 PHE CA . 36105 1
15 . 1 1 2 2 PHE CB C 13 39.842 . . 1 . 211 . A 2 PHE CB . 36105 1
16 . 1 1 2 2 PHE CD1 C 13 131.796 . . 3 . 199 . A 2 PHE CD1 . 36105 1
17 . 1 1 2 2 PHE CD2 C 13 131.796 . . 3 . 199 . A 2 PHE CD2 . 36105 1
18 . 1 1 2 2 PHE N N 15 120.195 . . 1 . 12 . A 2 PHE N . 36105 1
19 . 1 1 3 3 ALA H H 1 8.198 0.002 . 1 . 9 . A 3 ALA H . 36105 1
20 . 1 1 3 3 ALA HA H 1 4.349 0.002 . 1 . 78 . A 3 ALA HA . 36105 1
21 . 1 1 3 3 ALA HB1 H 1 1.254 0.001 . 1 . 79 . A 3 ALA HB1 . 36105 1
22 . 1 1 3 3 ALA HB2 H 1 1.254 0.001 . 1 . 79 . A 3 ALA HB2 . 36105 1
23 . 1 1 3 3 ALA HB3 H 1 1.254 0.001 . 1 . 79 . A 3 ALA HB3 . 36105 1
24 . 1 1 3 3 ALA CB C 13 19.327 . . 1 . 84 . A 3 ALA CB . 36105 1
25 . 1 1 3 3 ALA N N 15 126.409 . . 1 . 10 . A 3 ALA N . 36105 1
26 . 1 1 4 4 TRP H H 1 7.990 0.002 . 1 . 15 . A 4 TRP H . 36105 1
27 . 1 1 4 4 TRP HA H 1 4.599 0.002 . 1 . 90 . A 4 TRP HA . 36105 1
28 . 1 1 4 4 TRP HB2 H 1 3.212 0.002 . 2 . 111 . A 4 TRP HB2 . 36105 1
29 . 1 1 4 4 TRP HB3 H 1 3.286 0.002 . 2 . 110 . A 4 TRP HB3 . 36105 1
30 . 1 1 4 4 TRP HD1 H 1 7.226 0.001 . 1 . 51 . A 4 TRP HD1 . 36105 1
31 . 1 1 4 4 TRP HE1 H 1 10.118 0.001 . 1 . 33 . A 4 TRP HE1 . 36105 1
32 . 1 1 4 4 TRP HE3 H 1 7.570 0.002 . 1 . 194 . A 4 TRP HE3 . 36105 1
33 . 1 1 4 4 TRP HZ2 H 1 7.371 0.004 . 1 . 52 . A 4 TRP HZ2 . 36105 1
34 . 1 1 4 4 TRP HZ3 H 1 7.088 0.006 . 1 . 193 . A 4 TRP HZ3 . 36105 1
35 . 1 1 4 4 TRP HH2 H 1 7.168 0.003 . 1 . 192 . A 4 TRP HH2 . 36105 1
36 . 1 1 4 4 TRP CA C 13 57.238 . . 1 . 135 . A 4 TRP CA . 36105 1
37 . 1 1 4 4 TRP CB C 13 29.882 0.007 . 1 . 206 . A 4 TRP CB . 36105 1
38 . 1 1 4 4 TRP CD1 C 13 127.279 . . 1 . 117 . A 4 TRP CD1 . 36105 1
39 . 1 1 4 4 TRP CE3 C 13 120.929 . . 1 . 195 . A 4 TRP CE3 . 36105 1
40 . 1 1 4 4 TRP CZ2 C 13 114.738 . . 1 . 53 . A 4 TRP CZ2 . 36105 1
41 . 1 1 4 4 TRP CZ3 C 13 122.015 . . 1 . 196 . A 4 TRP CZ3 . 36105 1
42 . 1 1 4 4 TRP CH2 C 13 124.630 . . 1 . 197 . A 4 TRP CH2 . 36105 1
43 . 1 1 4 4 TRP N N 15 119.981 . . 1 . 16 . A 4 TRP N . 36105 1
44 . 1 1 4 4 TRP NE1 N 15 129.382 . . 1 . 34 . A 4 TRP NE1 . 36105 1
45 . 1 1 5 5 ASN H H 1 8.143 0.003 . 1 . 5 . A 5 ASN H . 36105 1
46 . 1 1 5 5 ASN HA H 1 4.963 0.002 . 1 . 89 . A 5 ASN HA . 36105 1
47 . 1 1 5 5 ASN HB2 H 1 2.480 0.001 . 1 . 100 . A 5 ASN HB2 . 36105 1
48 . 1 1 5 5 ASN HB3 H 1 2.480 0.001 . 1 . 99 . A 5 ASN HB3 . 36105 1
49 . 1 1 5 5 ASN HD21 H 1 6.677 0.001 . 1 . 21 . A 5 ASN HD21 . 36105 1
50 . 1 1 5 5 ASN HD22 H 1 7.377 0.002 . 1 . 30 . A 5 ASN HD22 . 36105 1
51 . 1 1 5 5 ASN CB C 13 39.845 . . 1 . 208 . A 5 ASN CB . 36105 1
52 . 1 1 5 5 ASN N N 15 119.157 . . 1 . 6 . A 5 ASN N . 36105 1
53 . 1 1 5 5 ASN ND2 N 15 111.532 0.0 . 1 . 22 . A 5 ASN ND2 . 36105 1
54 . 1 1 6 6 VAL H H 1 8.421 0.001 . 1 . 25 . A 6 VAL H . 36105 1
55 . 1 1 6 6 VAL HA H 1 4.170 0.002 . 1 . 114 . A 6 VAL HA . 36105 1
56 . 1 1 6 6 VAL HB H 1 1.735 0.004 . 1 . 72 . A 6 VAL HB . 36105 1
57 . 1 1 6 6 VAL HG11 H 1 0.838 0.003 . 2 . 74 . A 6 VAL HG11 . 36105 1
58 . 1 1 6 6 VAL HG12 H 1 0.838 0.003 . 2 . 74 . A 6 VAL HG12 . 36105 1
59 . 1 1 6 6 VAL HG13 H 1 0.838 0.003 . 2 . 74 . A 6 VAL HG13 . 36105 1
60 . 1 1 6 6 VAL HG21 H 1 0.838 0.003 . 2 . 73 . A 6 VAL HG21 . 36105 1
61 . 1 1 6 6 VAL HG22 H 1 0.838 0.003 . 2 . 73 . A 6 VAL HG22 . 36105 1
62 . 1 1 6 6 VAL HG23 H 1 0.838 0.003 . 2 . 73 . A 6 VAL HG23 . 36105 1
63 . 1 1 6 6 VAL CA C 13 61.882 . . 1 . 128 . A 6 VAL CA . 36105 1
64 . 1 1 6 6 VAL CB C 13 33.356 . . 1 . 85 . A 6 VAL CB . 36105 1
65 . 1 1 6 6 VAL N N 15 122.146 . . 1 . 26 . A 6 VAL N . 36105 1
66 . 1 1 7 7 CYS H H 1 8.645 0.002 . 1 . 37 . A 7 CYS H . 36105 1
67 . 1 1 7 7 CYS HA H 1 5.488 0.001 . 1 . 105 . A 7 CYS HA . 36105 1
68 . 1 1 7 7 CYS HB2 H 1 2.958 0.002 . 2 . 104 . A 7 CYS HB2 . 36105 1
69 . 1 1 7 7 CYS HB3 H 1 2.377 0.003 . 2 . 103 . A 7 CYS HB3 . 36105 1
70 . 1 1 7 7 CYS CA C 13 55.456 . . 1 . 125 . A 7 CYS CA . 36105 1
71 . 1 1 7 7 CYS CB C 13 47.809 0.033 . 1 . 209 . A 7 CYS CB . 36105 1
72 . 1 1 7 7 CYS N N 15 124.275 . . 1 . 38 . A 7 CYS N . 36105 1
73 . 1 1 8 8 VAL H H 1 8.723 0.002 . 1 . 48 . A 8 VAL H . 36105 1
74 . 1 1 8 8 VAL HA H 1 4.507 0.001 . 1 . 93 . A 8 VAL HA . 36105 1
75 . 1 1 8 8 VAL HB H 1 2.139 0.001 . 1 . 71 . A 8 VAL HB . 36105 1
76 . 1 1 8 8 VAL HG11 H 1 0.817 0.005 . 2 . 70 . A 8 VAL HG11 . 36105 1
77 . 1 1 8 8 VAL HG12 H 1 0.817 0.005 . 2 . 70 . A 8 VAL HG12 . 36105 1
78 . 1 1 8 8 VAL HG13 H 1 0.817 0.005 . 2 . 70 . A 8 VAL HG13 . 36105 1
79 . 1 1 8 8 VAL HG21 H 1 0.894 0.004 . 2 . 69 . A 8 VAL HG21 . 36105 1
80 . 1 1 8 8 VAL HG22 H 1 0.894 0.004 . 2 . 69 . A 8 VAL HG22 . 36105 1
81 . 1 1 8 8 VAL HG23 H 1 0.894 0.004 . 2 . 69 . A 8 VAL HG23 . 36105 1
82 . 1 1 8 8 VAL CA C 13 59.505 . . 1 . 132 . A 8 VAL CA . 36105 1
83 . 1 1 8 8 VAL CB C 13 35.445 . . 1 . 88 . A 8 VAL CB . 36105 1
84 . 1 1 8 8 VAL N N 15 118.906 . . 1 . 49 . A 8 VAL N . 36105 1
85 . 1 1 9 9 TYR H H 1 8.663 0.003 . 1 . 42 . A 9 TYR H . 36105 1
86 . 1 1 9 9 TYR HA H 1 5.061 0.001 . 1 . 91 . A 9 TYR HA . 36105 1
87 . 1 1 9 9 TYR HB2 H 1 2.713 0.001 . 2 . 113 . A 9 TYR HB2 . 36105 1
88 . 1 1 9 9 TYR HB3 H 1 2.782 0.004 . 2 . 112 . A 9 TYR HB3 . 36105 1
89 . 1 1 9 9 TYR HD1 H 1 6.852 0.001 . 3 . 115 . A 9 TYR HD1 . 36105 1
90 . 1 1 9 9 TYR HD2 H 1 6.852 0.001 . 3 . 115 . A 9 TYR HD2 . 36105 1
91 . 1 1 9 9 TYR HE1 H 1 6.727 0.002 . 3 . 116 . A 9 TYR HE1 . 36105 1
92 . 1 1 9 9 TYR HE2 H 1 6.727 0.002 . 3 . 116 . A 9 TYR HE2 . 36105 1
93 . 1 1 9 9 TYR CA C 13 57.652 . . 1 . 127 . A 9 TYR CA . 36105 1
94 . 1 1 9 9 TYR CD1 C 13 132.748 . . 3 . 118 . A 9 TYR CD1 . 36105 1
95 . 1 1 9 9 TYR CD2 C 13 132.748 . . 3 . 118 . A 9 TYR CD2 . 36105 1
96 . 1 1 9 9 TYR CE1 C 13 118.008 . . 3 . 119 . A 9 TYR CE1 . 36105 1
97 . 1 1 9 9 TYR CE2 C 13 118.008 . . 3 . 119 . A 9 TYR CE2 . 36105 1
98 . 1 1 9 9 TYR N N 15 121.628 . . 1 . 43 . A 9 TYR N . 36105 1
99 . 1 1 10 10 ARG H H 1 8.989 0.001 . 1 . 46 . A 10 ARG H . 36105 1
100 . 1 1 10 10 ARG HA H 1 4.550 0.003 . 1 . 95 . A 10 ARG HA . 36105 1
101 . 1 1 10 10 ARG HB2 H 1 1.617 0.004 . 2 . 157 . A 10 ARG HB2 . 36105 1
102 . 1 1 10 10 ARG HB3 H 1 1.729 0.003 . 2 . 155 . A 10 ARG HB3 . 36105 1
103 . 1 1 10 10 ARG HG2 H 1 1.463 0.003 . 2 . 158 . A 10 ARG HG2 . 36105 1
104 . 1 1 10 10 ARG HG3 H 1 1.599 0.011 . 2 . 190 . A 10 ARG HG3 . 36105 1
105 . 1 1 10 10 ARG HD2 H 1 3.178 0.005 . 2 . 138 . A 10 ARG HD2 . 36105 1
106 . 1 1 10 10 ARG HD3 H 1 3.179 0.005 . 2 . 137 . A 10 ARG HD3 . 36105 1
107 . 1 1 10 10 ARG HE H 1 7.196 0.002 . 1 . 186 . A 10 ARG HE . 36105 1
108 . 1 1 10 10 ARG CA C 13 54.946 . . 1 . 133 . A 10 ARG CA . 36105 1
109 . 1 1 10 10 ARG CB C 13 32.364 0.003 . 1 . 156 . A 10 ARG CB . 36105 1
110 . 1 1 10 10 ARG CG C 13 26.944 . . 1 . 159 . A 10 ARG CG . 36105 1
111 . 1 1 10 10 ARG CD C 13 43.345 . . 1 . 139 . A 10 ARG CD . 36105 1
112 . 1 1 10 10 ARG N N 15 124.568 . . 1 . 47 . A 10 ARG N . 36105 1
113 . 1 1 11 11 ASN H H 1 9.584 0.001 . 1 . 40 . A 11 ASN H . 36105 1
114 . 1 1 11 11 ASN HA H 1 4.366 0.011 . 1 . 55 . A 11 ASN HA . 36105 1
115 . 1 1 11 11 ASN HB2 H 1 2.761 0.004 . 2 . 61 . A 11 ASN HB2 . 36105 1
116 . 1 1 11 11 ASN HB3 H 1 3.052 0.004 . 2 . 60 . A 11 ASN HB3 . 36105 1
117 . 1 1 11 11 ASN HD21 H 1 7.600 0.001 . 1 . 39 . A 11 ASN HD21 . 36105 1
118 . 1 1 11 11 ASN HD22 H 1 6.902 0.001 . 1 . 35 . A 11 ASN HD22 . 36105 1
119 . 1 1 11 11 ASN CB C 13 37.659 0.005 . 1 . 213 . A 11 ASN CB . 36105 1
120 . 1 1 11 11 ASN N N 15 125.624 . . 1 . 41 . A 11 ASN N . 36105 1
121 . 1 1 11 11 ASN ND2 N 15 112.745 0.0 . 1 . 36 . A 11 ASN ND2 . 36105 1
122 . 1 1 12 12 GLY H H 1 8.503 0.001 . 1 . 54 . A 12 GLY H . 36105 1
123 . 1 1 12 12 GLY HA2 H 1 4.196 0.008 . 2 . 56 . A 12 GLY HA2 . 36105 1
124 . 1 1 12 12 GLY HA3 H 1 3.632 0.007 . 2 . 77 . A 12 GLY HA3 . 36105 1
125 . 1 1 12 12 GLY CA C 13 45.357 0.012 . 1 . 120 . A 12 GLY CA . 36105 1
126 . 1 1 13 13 VAL H H 1 7.683 0.002 . 1 . 28 . A 13 VAL H . 36105 1
127 . 1 1 13 13 VAL HA H 1 4.320 0.003 . 1 . 98 . A 13 VAL HA . 36105 1
128 . 1 1 13 13 VAL HB H 1 2.068 0.003 . 1 . 66 . A 13 VAL HB . 36105 1
129 . 1 1 13 13 VAL HG11 H 1 0.903 0.003 . 2 . 68 . A 13 VAL HG11 . 36105 1
130 . 1 1 13 13 VAL HG12 H 1 0.903 0.003 . 2 . 68 . A 13 VAL HG12 . 36105 1
131 . 1 1 13 13 VAL HG13 H 1 0.903 0.003 . 2 . 68 . A 13 VAL HG13 . 36105 1
132 . 1 1 13 13 VAL HG21 H 1 0.903 0.002 . 2 . 67 . A 13 VAL HG21 . 36105 1
133 . 1 1 13 13 VAL HG22 H 1 0.903 0.002 . 2 . 67 . A 13 VAL HG22 . 36105 1
134 . 1 1 13 13 VAL HG23 H 1 0.903 0.002 . 2 . 67 . A 13 VAL HG23 . 36105 1
135 . 1 1 13 13 VAL CA C 13 60.989 . . 1 . 130 . A 13 VAL CA . 36105 1
136 . 1 1 13 13 VAL CB C 13 34.563 . . 1 . 87 . A 13 VAL CB . 36105 1
137 . 1 1 13 13 VAL N N 15 120.446 . . 1 . 29 . A 13 VAL N . 36105 1
138 . 1 1 14 14 ARG H H 1 8.609 0.001 . 1 . 7 . A 14 ARG H . 36105 1
139 . 1 1 14 14 ARG HA H 1 4.097 0.002 . 1 . 122 . A 14 ARG HA . 36105 1
140 . 1 1 14 14 ARG HB2 H 1 1.313 0.002 . 2 . 152 . A 14 ARG HB2 . 36105 1
141 . 1 1 14 14 ARG HB3 H 1 1.662 0.004 . 2 . 151 . A 14 ARG HB3 . 36105 1
142 . 1 1 14 14 ARG HG2 H 1 0.915 0.006 . 2 . 149 . A 14 ARG HG2 . 36105 1
143 . 1 1 14 14 ARG HG3 H 1 1.201 0.003 . 2 . 150 . A 14 ARG HG3 . 36105 1
144 . 1 1 14 14 ARG HD2 H 1 3.017 0.002 . 1 . 140 . A 14 ARG HD2 . 36105 1
145 . 1 1 14 14 ARG HD3 H 1 3.017 0.002 . 1 . 141 . A 14 ARG HD3 . 36105 1
146 . 1 1 14 14 ARG HE H 1 7.046 0.001 . 1 . 184 . A 14 ARG HE . 36105 1
147 . 1 1 14 14 ARG CA C 13 56.006 . . 1 . 123 . A 14 ARG CA . 36105 1
148 . 1 1 14 14 ARG CB C 13 30.812 0.039 . 1 . 153 . A 14 ARG CB . 36105 1
149 . 1 1 14 14 ARG CG C 13 28.085 0.018 . 1 . 154 . A 14 ARG CG . 36105 1
150 . 1 1 14 14 ARG CD C 13 43.523 . . 1 . 148 . A 14 ARG CD . 36105 1
151 . 1 1 14 14 ARG N N 15 127.293 . . 1 . 8 . A 14 ARG N . 36105 1
152 . 1 1 15 15 VAL H H 1 9.105 0.002 . 1 . 13 . A 15 VAL H . 36105 1
153 . 1 1 15 15 VAL HA H 1 4.235 0.004 . 1 . 62 . A 15 VAL HA . 36105 1
154 . 1 1 15 15 VAL HB H 1 1.917 0.004 . 1 . 63 . A 15 VAL HB . 36105 1
155 . 1 1 15 15 VAL HG11 H 1 0.827 0.005 . 2 . 65 . A 15 VAL HG11 . 36105 1
156 . 1 1 15 15 VAL HG12 H 1 0.827 0.005 . 2 . 65 . A 15 VAL HG12 . 36105 1
157 . 1 1 15 15 VAL HG13 H 1 0.827 0.005 . 2 . 65 . A 15 VAL HG13 . 36105 1
158 . 1 1 15 15 VAL HG21 H 1 0.879 0.005 . 2 . 64 . A 15 VAL HG21 . 36105 1
159 . 1 1 15 15 VAL HG22 H 1 0.879 0.005 . 2 . 64 . A 15 VAL HG22 . 36105 1
160 . 1 1 15 15 VAL HG23 H 1 0.879 0.005 . 2 . 64 . A 15 VAL HG23 . 36105 1
161 . 1 1 15 15 VAL CA C 13 61.776 . . 1 . 129 . A 15 VAL CA . 36105 1
162 . 1 1 15 15 VAL CB C 13 33.829 . . 1 . 86 . A 15 VAL CB . 36105 1
163 . 1 1 15 15 VAL N N 15 128.985 . . 1 . 14 . A 15 VAL N . 36105 1
164 . 1 1 16 16 CYS H H 1 8.877 0.002 . 1 . 23 . A 16 CYS H . 36105 1
165 . 1 1 16 16 CYS HA H 1 5.545 0.003 . 1 . 96 . A 16 CYS HA . 36105 1
166 . 1 1 16 16 CYS HB2 H 1 2.894 0.002 . 2 . 76 . A 16 CYS HB2 . 36105 1
167 . 1 1 16 16 CYS HB3 H 1 2.734 0.003 . 2 . 75 . A 16 CYS HB3 . 36105 1
168 . 1 1 16 16 CYS CA C 13 55.020 . . 1 . 126 . A 16 CYS CA . 36105 1
169 . 1 1 16 16 CYS CB C 13 47.531 0.018 . 1 . 210 . A 16 CYS CB . 36105 1
170 . 1 1 16 16 CYS N N 15 125.743 . . 1 . 24 . A 16 CYS N . 36105 1
171 . 1 1 17 17 HIS H H 1 8.779 0.001 . 1 . 44 . A 17 HIS H . 36105 1
172 . 1 1 17 17 HIS HA H 1 4.848 0.004 . 1 . 50 . A 17 HIS HA . 36105 1
173 . 1 1 17 17 HIS HB2 H 1 3.213 0.012 . 2 . 106 . A 17 HIS HB2 . 36105 1
174 . 1 1 17 17 HIS HB3 H 1 3.180 0.002 . 2 . 107 . A 17 HIS HB3 . 36105 1
175 . 1 1 17 17 HIS HD2 H 1 7.224 0.002 . 1 . 202 . A 17 HIS HD2 . 36105 1
176 . 1 1 17 17 HIS HE1 H 1 8.535 0.001 . 1 . 200 . A 17 HIS HE1 . 36105 1
177 . 1 1 17 17 HIS CB C 13 31.034 0.002 . 1 . 207 . A 17 HIS CB . 36105 1
178 . 1 1 17 17 HIS CD2 C 13 120.183 . . 1 . 203 . A 17 HIS CD2 . 36105 1
179 . 1 1 17 17 HIS CE1 C 13 136.334 . . 1 . 201 . A 17 HIS CE1 . 36105 1
180 . 1 1 17 17 HIS N N 15 118.396 . . 1 . 45 . A 17 HIS N . 36105 1
181 . 1 1 18 18 ARG H H 1 8.709 0.002 . 1 . 1 . A 18 ARG H . 36105 1
182 . 1 1 18 18 ARG HA H 1 4.653 0.002 . 1 . 94 . A 18 ARG HA . 36105 1
183 . 1 1 18 18 ARG HB2 H 1 1.754 0.012 . 1 . 189 . A 18 ARG HB2 . 36105 1
184 . 1 1 18 18 ARG HG3 H 1 1.614 0.002 . 1 . 191 . A 18 ARG HG3 . 36105 1
185 . 1 1 18 18 ARG HD2 H 1 3.109 0.002 . 1 . 143 . A 18 ARG HD2 . 36105 1
186 . 1 1 18 18 ARG HD3 H 1 3.109 0.002 . 1 . 142 . A 18 ARG HD3 . 36105 1
187 . 1 1 18 18 ARG HE H 1 7.103 0.003 . 1 . 185 . A 18 ARG HE . 36105 1
188 . 1 1 18 18 ARG CA C 13 56.018 . . 1 . 136 . A 18 ARG CA . 36105 1
189 . 1 1 18 18 ARG CD C 13 43.313 . . 1 . 146 . A 18 ARG CD . 36105 1
190 . 1 1 18 18 ARG N N 15 123.040 . . 1 . 2 . A 18 ARG N . 36105 1
191 . 1 1 19 19 ARG H H 1 8.711 0.002 . 1 . 31 . A 19 ARG H . 36105 1
192 . 1 1 19 19 ARG HA H 1 4.292 0.002 . 1 . 97 . A 19 ARG HA . 36105 1
193 . 1 1 19 19 ARG HB2 H 1 1.615 0.003 . 2 . 215 . A 19 ARG HB2 . 36105 1
194 . 1 1 19 19 ARG HB3 H 1 1.736 0.005 . 2 . 188 . A 19 ARG HB3 . 36105 1
195 . 1 1 19 19 ARG HG2 H 1 1.573 0.014 . 2 . 187 . A 19 ARG HG2 . 36105 1
196 . 1 1 19 19 ARG HG3 H 1 1.606 . . 2 . 214 . A 19 ARG HG3 . 36105 1
197 . 1 1 19 19 ARG HD2 H 1 3.034 0.003 . 2 . 145 . A 19 ARG HD2 . 36105 1
198 . 1 1 19 19 ARG HD3 H 1 3.034 0.002 . 2 . 144 . A 19 ARG HD3 . 36105 1
199 . 1 1 19 19 ARG HE H 1 6.982 0.002 . 1 . 183 . A 19 ARG HE . 36105 1
200 . 1 1 19 19 ARG CA C 13 56.144 . . 1 . 131 . A 19 ARG CA . 36105 1
201 . 1 1 19 19 ARG CD C 13 43.479 . . 1 . 147 . A 19 ARG CD . 36105 1
202 . 1 1 19 19 ARG N N 15 125.215 . . 1 . 32 . A 19 ARG N . 36105 1
203 . 1 1 20 20 ALA H H 1 8.465 0.001 . 1 . 17 . A 20 ALA H . 36105 1
204 . 1 1 20 20 ALA HA H 1 4.378 0.002 . 1 . 82 . A 20 ALA HA . 36105 1
205 . 1 1 20 20 ALA HB1 H 1 1.380 0.001 . 1 . 81 . A 20 ALA HB1 . 36105 1
206 . 1 1 20 20 ALA HB2 H 1 1.380 0.001 . 1 . 81 . A 20 ALA HB2 . 36105 1
207 . 1 1 20 20 ALA HB3 H 1 1.380 0.001 . 1 . 81 . A 20 ALA HB3 . 36105 1
208 . 1 1 20 20 ALA CB C 13 19.668 . . 1 . 83 . A 20 ALA CB . 36105 1
209 . 1 1 20 20 ALA N N 15 126.087 . . 1 . 18 . A 20 ALA N . 36105 1
210 . 1 1 21 21 ASN H H 1 8.325 0.001 . 1 . 19 . A 21 ASN H . 36105 1
211 . 1 1 21 21 ASN HA H 1 4.663 0.001 . 1 . 80 . A 21 ASN HA . 36105 1
212 . 1 1 21 21 ASN HB2 H 1 2.796 0.001 . 2 . 101 . A 21 ASN HB2 . 36105 1
213 . 1 1 21 21 ASN HB3 H 1 2.796 0.001 . 2 . 102 . A 21 ASN HB3 . 36105 1
214 . 1 1 21 21 ASN HD21 H 1 7.543 0.001 . 1 . 3 . A 21 ASN HD21 . 36105 1
215 . 1 1 21 21 ASN HD22 H 1 6.850 0.001 . 1 . 27 . A 21 ASN HD22 . 36105 1
216 . 1 1 21 21 ASN CA C 13 52.407 . . 1 . 124 . A 21 ASN CA . 36105 1
217 . 1 1 21 21 ASN CB C 13 39.022 . . 1 . 212 . A 21 ASN CB . 36105 1
218 . 1 1 21 21 ASN N N 15 118.963 . . 1 . 20 . A 21 ASN N . 36105 1
219 . 1 1 21 21 ASN ND2 N 15 112.490 0.001 . 1 . 4 . A 21 ASN ND2 . 36105 1
stop_
save_