Content for NMR-STAR saveframe, "shifts_polymorphB"
save_shifts_polymorphB
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode shifts_polymorphB
_Assigned_chem_shift_list.Entry_ID 27602
_Assigned_chem_shift_list.ID 2
_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 0.1
_Assigned_chem_shift_list.Chem_shift_15N_err 0.1
_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 chemical shifts from Polymorph B recorded on Sample 2.'
_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
9 '2D DARR C-C 20 ms' . . . 27602 2
10 '3D CCC' . . . 27602 2
11 '3D NCACB' . . . 27602 2
12 '3D NCACX' . . . 27602 2
13 '3D NCOCX' . . . 27602 2
14 '2D NCA' . . . 27602 2
15 '2D NCO' . . . 27602 2
16 '3D CANCO' . . . 27602 2
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 $TOPSPIN . . 27602 2
2 $CcpNmr . . 27602 2
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.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 18 18 VAL C C 13 174.792 0.017 . 1 . . . . . 18 VAL C . 27602 2
2 . 1 1 18 18 VAL CA C 13 61.237 0.000 . 1 . . . . . 18 VAL CA . 27602 2
3 . 1 1 19 19 THR C C 13 173.472 0.063 . 1 . . . . . 19 THR C . 27602 2
4 . 1 1 19 19 THR CA C 13 61.486 0.019 . 1 . . . . . 19 THR CA . 27602 2
5 . 1 1 19 19 THR CB C 13 70.564 0.017 . 1 . . . . . 19 THR CB . 27602 2
6 . 1 1 19 19 THR CG2 C 13 21.542 0.022 . 1 . . . . . 19 THR CG2 . 27602 2
7 . 1 1 19 19 THR N N 15 126.469 0.011 . 1 . . . . . 19 THR N . 27602 2
8 . 1 1 20 20 ILE C C 13 175.826 0.049 . 1 . . . . . 20 ILE C . 27602 2
9 . 1 1 20 20 ILE CA C 13 57.582 0.040 . 1 . . . . . 20 ILE CA . 27602 2
10 . 1 1 20 20 ILE CB C 13 39.434 0.046 . 1 . . . . . 20 ILE CB . 27602 2
11 . 1 1 20 20 ILE CG1 C 13 27.645 0.018 . 1 . . . . . 20 ILE CG1 . 27602 2
12 . 1 1 20 20 ILE CG2 C 13 17.830 0.011 . 1 . . . . . 20 ILE CG2 . 27602 2
13 . 1 1 20 20 ILE N N 15 125.824 0.075 . 1 . . . . . 20 ILE N . 27602 2
14 . 1 1 21 21 SER C C 13 172.833 0.021 . 1 . . . . . 21 SER C . 27602 2
15 . 1 1 21 21 SER CA C 13 56.492 0.020 . 1 . . . . . 21 SER CA . 27602 2
16 . 1 1 21 21 SER CB C 13 65.681 0.089 . 1 . . . . . 21 SER CB . 27602 2
17 . 1 1 21 21 SER N N 15 118.269 0.020 . 1 . . . . . 21 SER N . 27602 2
18 . 1 1 22 22 CYS C C 13 174.808 0.031 . 1 . . . . . 22 CYS C . 27602 2
19 . 1 1 22 22 CYS CA C 13 54.521 0.023 . 1 . . . . . 22 CYS CA . 27602 2
20 . 1 1 22 22 CYS CB C 13 39.615 0.054 . 1 . . . . . 22 CYS CB . 27602 2
21 . 1 1 22 22 CYS N N 15 120.652 0.015 . 1 . . . . . 22 CYS N . 27602 2
22 . 1 1 23 23 THR C C 13 175.278 0.019 . 1 . . . . . 23 THR C . 27602 2
23 . 1 1 23 23 THR CA C 13 62.592 0.021 . 1 . . . . . 23 THR CA . 27602 2
24 . 1 1 23 23 THR CB C 13 71.290 0.064 . 1 . . . . . 23 THR CB . 27602 2
25 . 1 1 23 23 THR CG2 C 13 22.435 0.014 . 1 . . . . . 23 THR CG2 . 27602 2
26 . 1 1 23 23 THR N N 15 121.708 0.044 . 1 . . . . . 23 THR N . 27602 2
27 . 1 1 24 24 GLY C C 13 174.798 0.018 . 1 . . . . . 24 GLY C . 27602 2
28 . 1 1 24 24 GLY CA C 13 47.368 0.024 . 1 . . . . . 24 GLY CA . 27602 2
29 . 1 1 24 24 GLY N N 15 107.136 0.015 . 1 . . . . . 24 GLY N . 27602 2
30 . 1 1 25 25 SER C C 13 172.904 0.019 . 1 . . . . . 25 SER C . 27602 2
31 . 1 1 25 25 SER CA C 13 58.853 0.016 . 1 . . . . . 25 SER CA . 27602 2
32 . 1 1 25 25 SER CB C 13 64.937 0.035 . 1 . . . . . 25 SER CB . 27602 2
33 . 1 1 25 25 SER N N 15 117.546 0.048 . 1 . . . . . 25 SER N . 27602 2
34 . 1 1 26 26 SER C C 13 173.573 0.036 . 1 . . . . . 26 SER C . 27602 2
35 . 1 1 26 26 SER CA C 13 56.692 0.037 . 1 . . . . . 26 SER CA . 27602 2
36 . 1 1 26 26 SER CB C 13 66.339 0.041 . 1 . . . . . 26 SER CB . 27602 2
37 . 1 1 26 26 SER N N 15 114.952 0.014 . 1 . . . . . 26 SER N . 27602 2
38 . 1 1 27 27 GLY C C 13 172.104 0.029 . 1 . . . . . 27 GLY C . 27602 2
39 . 1 1 27 27 GLY CA C 13 45.200 0.049 . 1 . . . . . 27 GLY CA . 27602 2
40 . 1 1 27 27 GLY N N 15 106.748 0.050 . 1 . . . . . 27 GLY N . 27602 2
41 . 1 1 28 28 SER C C 13 174.055 0.017 . 1 . . . . . 28 SER C . 27602 2
42 . 1 1 28 28 SER CA C 13 56.057 0.022 . 1 . . . . . 28 SER CA . 27602 2
43 . 1 1 28 28 SER CB C 13 65.169 0.019 . 1 . . . . . 28 SER CB . 27602 2
44 . 1 1 28 28 SER N N 15 117.136 0.004 . 1 . . . . . 28 SER N . 27602 2
45 . 1 1 29 29 ILE C C 13 173.658 0.048 . 1 . . . . . 29 ILE C . 27602 2
46 . 1 1 29 29 ILE CA C 13 61.472 0.059 . 1 . . . . . 29 ILE CA . 27602 2
47 . 1 1 29 29 ILE CB C 13 40.723 0.043 . 1 . . . . . 29 ILE CB . 27602 2
48 . 1 1 29 29 ILE CD1 C 13 17.594 0.051 . 1 . . . . . 29 ILE CD1 . 27602 2
49 . 1 1 29 29 ILE N N 15 123.088 0.019 . 1 . . . . . 29 ILE N . 27602 2
50 . 1 1 30 30 ALA C C 13 175.882 0.057 . 1 . . . . . 30 ALA C . 27602 2
51 . 1 1 30 30 ALA CA C 13 50.146 0.075 . 1 . . . . . 30 ALA CA . 27602 2
52 . 1 1 30 30 ALA CB C 13 17.456 0.043 . 1 . . . . . 30 ALA CB . 27602 2
53 . 1 1 30 30 ALA N N 15 140.636 0.106 . 1 . . . . . 30 ALA N . 27602 2
54 . 1 1 31 31 SER C C 13 171.410 0.038 . 1 . . . . . 31 SER C . 27602 2
55 . 1 1 31 31 SER CA C 13 59.406 0.041 . 1 . . . . . 31 SER CA . 27602 2
56 . 1 1 31 31 SER CB C 13 69.047 0.045 . 1 . . . . . 31 SER CB . 27602 2
57 . 1 1 31 31 SER N N 15 115.297 0.087 . 1 . . . . . 31 SER N . 27602 2
58 . 1 1 32 32 ASN C C 13 171.999 0.018 . 1 . . . . . 32 ASN C . 27602 2
59 . 1 1 32 32 ASN CA C 13 53.614 0.041 . 1 . . . . . 32 ASN CA . 27602 2
60 . 1 1 32 32 ASN CB C 13 35.709 0.071 . 1 . . . . . 32 ASN CB . 27602 2
61 . 1 1 32 32 ASN CG C 13 178.410 0.042 . 1 . . . . . 32 ASN CG . 27602 2
62 . 1 1 32 32 ASN N N 15 117.697 0.040 . 1 . . . . . 32 ASN N . 27602 2
63 . 1 1 32 32 ASN ND2 N 15 111.795 0.018 . 1 . . . . . 32 ASN ND2 . 27602 2
64 . 1 1 33 33 TYR C C 13 174.256 0.023 . 1 . . . . . 33 TYR C . 27602 2
65 . 1 1 33 33 TYR CA C 13 53.217 0.077 . 1 . . . . . 33 TYR CA . 27602 2
66 . 1 1 33 33 TYR CB C 13 40.265 0.051 . 1 . . . . . 33 TYR CB . 27602 2
67 . 1 1 33 33 TYR N N 15 121.882 0.081 . 1 . . . . . 33 TYR N . 27602 2
68 . 1 1 39 39 GLN C C 13 173.807 0.006 . 1 . . . . . 39 GLN C . 27602 2
69 . 1 1 39 39 GLN CA C 13 56.513 0.000 . 1 . . . . . 39 GLN CA . 27602 2
70 . 1 1 40 40 ARG C C 13 174.276 0.023 . 1 . . . . . 40 ARG C . 27602 2
71 . 1 1 40 40 ARG CA C 13 54.082 0.020 . 1 . . . . . 40 ARG CA . 27602 2
72 . 1 1 40 40 ARG CB C 13 36.000 0.003 . 1 . . . . . 40 ARG CB . 27602 2
73 . 1 1 40 40 ARG CD C 13 45.692 0.026 . 1 . . . . . 40 ARG CD . 27602 2
74 . 1 1 40 40 ARG N N 15 125.788 0.030 . 1 . . . . . 40 ARG N . 27602 2
75 . 1 1 41 41 PRO C C 13 172.829 0.010 . 1 . . . . . 41 PRO C . 27602 2
76 . 1 1 41 41 PRO CA C 13 61.595 0.055 . 1 . . . . . 41 PRO CA . 27602 2
77 . 1 1 41 41 PRO CB C 13 31.997 0.008 . 1 . . . . . 41 PRO CB . 27602 2
78 . 1 1 41 41 PRO N N 15 128.107 0.018 . 1 . . . . . 41 PRO N . 27602 2
79 . 1 1 42 42 GLY C C 13 172.796 0.017 . 1 . . . . . 42 GLY C . 27602 2
80 . 1 1 42 42 GLY CA C 13 44.593 0.021 . 1 . . . . . 42 GLY CA . 27602 2
81 . 1 1 42 42 GLY N N 15 117.169 0.032 . 1 . . . . . 42 GLY N . 27602 2
82 . 1 1 43 43 SER C C 13 172.147 0.022 . 1 . . . . . 43 SER C . 27602 2
83 . 1 1 43 43 SER CA C 13 56.893 0.041 . 1 . . . . . 43 SER CA . 27602 2
84 . 1 1 43 43 SER CB C 13 66.168 0.034 . 1 . . . . . 43 SER CB . 27602 2
85 . 1 1 43 43 SER N N 15 116.771 0.053 . 1 . . . . . 43 SER N . 27602 2
86 . 1 1 44 44 SER CA C 13 56.112 0.060 . 1 . . . . . 44 SER CA . 27602 2
87 . 1 1 44 44 SER CB C 13 65.263 0.045 . 1 . . . . . 44 SER CB . 27602 2
88 . 1 1 44 44 SER N N 15 116.880 0.078 . 1 . . . . . 44 SER N . 27602 2
89 . 1 1 63 63 PHE C C 13 175.142 0.013 . 1 . . . . . 63 PHE C . 27602 2
90 . 1 1 64 64 SER C C 13 172.358 0.014 . 1 . . . . . 64 SER C . 27602 2
91 . 1 1 64 64 SER CA C 13 56.750 0.018 . 1 . . . . . 64 SER CA . 27602 2
92 . 1 1 64 64 SER CB C 13 64.372 0.055 . 1 . . . . . 64 SER CB . 27602 2
93 . 1 1 64 64 SER N N 15 126.377 0.012 . 1 . . . . . 64 SER N . 27602 2
94 . 1 1 65 65 GLY C C 13 172.514 0.014 . 1 . . . . . 65 GLY C . 27602 2
95 . 1 1 65 65 GLY CA C 13 44.213 0.017 . 1 . . . . . 65 GLY CA . 27602 2
96 . 1 1 65 65 GLY N N 15 112.798 0.013 . 1 . . . . . 65 GLY N . 27602 2
97 . 1 1 66 66 SER C C 13 172.677 0.020 . 1 . . . . . 66 SER C . 27602 2
98 . 1 1 66 66 SER CA C 13 56.888 0.037 . 1 . . . . . 66 SER CA . 27602 2
99 . 1 1 66 66 SER CB C 13 66.563 0.040 . 1 . . . . . 66 SER CB . 27602 2
100 . 1 1 66 66 SER N N 15 118.136 0.012 . 1 . . . . . 66 SER N . 27602 2
101 . 1 1 67 67 ILE C C 13 175.025 0.032 . 1 . . . . . 67 ILE C . 27602 2
102 . 1 1 67 67 ILE CA C 13 60.796 0.034 . 1 . . . . . 67 ILE CA . 27602 2
103 . 1 1 67 67 ILE CB C 13 42.240 0.070 . 1 . . . . . 67 ILE CB . 27602 2
104 . 1 1 67 67 ILE CG1 C 13 28.108 0.052 . 1 . . . . . 67 ILE CG1 . 27602 2
105 . 1 1 67 67 ILE CG2 C 13 17.564 0.027 . 1 . . . . . 67 ILE CG2 . 27602 2
106 . 1 1 67 67 ILE CD1 C 13 13.996 0.000 . 1 . . . . . 67 ILE CD1 . 27602 2
107 . 1 1 67 67 ILE N N 15 122.683 0.076 . 1 . . . . . 67 ILE N . 27602 2
108 . 1 1 68 68 ASP C C 13 176.151 0.024 . 1 . . . . . 68 ASP C . 27602 2
109 . 1 1 68 68 ASP CA C 13 52.685 0.030 . 1 . . . . . 68 ASP CA . 27602 2
110 . 1 1 68 68 ASP CB C 13 44.714 0.039 . 1 . . . . . 68 ASP CB . 27602 2
111 . 1 1 68 68 ASP CG C 13 179.185 0.022 . 1 . . . . . 68 ASP CG . 27602 2
112 . 1 1 68 68 ASP N N 15 127.862 0.021 . 1 . . . . . 68 ASP N . 27602 2
113 . 1 1 69 69 SER C C 13 173.301 0.025 . 1 . . . . . 69 SER C . 27602 2
114 . 1 1 69 69 SER CA C 13 57.955 0.024 . 1 . . . . . 69 SER CA . 27602 2
115 . 1 1 69 69 SER CB C 13 63.855 0.044 . 1 . . . . . 69 SER CB . 27602 2
116 . 1 1 69 69 SER N N 15 121.492 0.056 . 1 . . . . . 69 SER N . 27602 2
117 . 1 1 70 70 SER C C 13 172.894 0.019 . 1 . . . . . 70 SER C . 27602 2
118 . 1 1 70 70 SER CA C 13 59.517 0.027 . 1 . . . . . 70 SER CA . 27602 2
119 . 1 1 70 70 SER CB C 13 68.040 0.043 . 1 . . . . . 70 SER CB . 27602 2
120 . 1 1 70 70 SER N N 15 126.214 0.047 . 1 . . . . . 70 SER N . 27602 2
121 . 1 1 71 71 SER C C 13 173.834 0.033 . 1 . . . . . 71 SER C . 27602 2
122 . 1 1 71 71 SER CA C 13 59.363 0.032 . 1 . . . . . 71 SER CA . 27602 2
123 . 1 1 71 71 SER CB C 13 61.255 0.053 . 1 . . . . . 71 SER CB . 27602 2
124 . 1 1 71 71 SER N N 15 109.608 0.033 . 1 . . . . . 71 SER N . 27602 2
125 . 1 1 72 72 ASN C C 13 175.289 0.078 . 1 . . . . . 72 ASN C . 27602 2
126 . 1 1 72 72 ASN CA C 13 52.448 0.047 . 1 . . . . . 72 ASN CA . 27602 2
127 . 1 1 72 72 ASN CB C 13 41.170 0.052 . 1 . . . . . 72 ASN CB . 27602 2
128 . 1 1 72 72 ASN CG C 13 176.470 0.028 . 1 . . . . . 72 ASN CG . 27602 2
129 . 1 1 72 72 ASN N N 15 116.951 0.115 . 1 . . . . . 72 ASN N . 27602 2
130 . 1 1 73 73 SER C C 13 172.836 0.028 . 1 . . . . . 73 SER C . 27602 2
131 . 1 1 73 73 SER CA C 13 56.911 0.040 . 1 . . . . . 73 SER CA . 27602 2
132 . 1 1 73 73 SER CB C 13 66.057 0.077 . 1 . . . . . 73 SER CB . 27602 2
133 . 1 1 73 73 SER N N 15 114.089 0.056 . 1 . . . . . 73 SER N . 27602 2
134 . 1 1 74 74 ALA C C 13 176.399 0.026 . 1 . . . . . 74 ALA C . 27602 2
135 . 1 1 74 74 ALA CA C 13 50.430 0.030 . 1 . . . . . 74 ALA CA . 27602 2
136 . 1 1 74 74 ALA CB C 13 23.285 0.045 . 1 . . . . . 74 ALA CB . 27602 2
137 . 1 1 74 74 ALA N N 15 125.716 0.037 . 1 . . . . . 74 ALA N . 27602 2
138 . 1 1 75 75 SER C C 13 172.778 0.027 . 1 . . . . . 75 SER C . 27602 2
139 . 1 1 75 75 SER CA C 13 56.716 0.065 . 1 . . . . . 75 SER CA . 27602 2
140 . 1 1 75 75 SER CB C 13 66.396 0.084 . 1 . . . . . 75 SER CB . 27602 2
141 . 1 1 75 75 SER N N 15 118.988 0.027 . 1 . . . . . 75 SER N . 27602 2
142 . 1 1 81 81 LEU C C 13 175.796 0.059 . 1 . . . . . 81 LEU C . 27602 2
143 . 1 1 82 82 LYS C C 13 175.063 0.032 . 1 . . . . . 82 LYS C . 27602 2
144 . 1 1 82 82 LYS CA C 13 54.898 0.035 . 1 . . . . . 82 LYS CA . 27602 2
145 . 1 1 82 82 LYS CB C 13 37.145 0.062 . 1 . . . . . 82 LYS CB . 27602 2
146 . 1 1 82 82 LYS CG C 13 26.964 0.025 . 1 . . . . . 82 LYS CG . 27602 2
147 . 1 1 82 82 LYS CD C 13 29.617 0.043 . 1 . . . . . 82 LYS CD . 27602 2
148 . 1 1 82 82 LYS CE C 13 44.529 0.020 . 1 . . . . . 82 LYS CE . 27602 2
149 . 1 1 82 82 LYS N N 15 131.408 0.079 . 1 . . . . . 82 LYS N . 27602 2
150 . 1 1 83 83 THR C C 13 173.573 0.039 . 1 . . . . . 83 THR C . 27602 2
151 . 1 1 83 83 THR CA C 13 59.746 0.031 . 1 . . . . . 83 THR CA . 27602 2
152 . 1 1 83 83 THR CB C 13 69.779 0.056 . 1 . . . . . 83 THR CB . 27602 2
153 . 1 1 83 83 THR CG2 C 13 20.057 0.019 . 1 . . . . . 83 THR CG2 . 27602 2
154 . 1 1 83 83 THR N N 15 119.241 0.018 . 1 . . . . . 83 THR N . 27602 2
155 . 1 1 84 84 GLU C C 13 174.299 0.070 . 1 . . . . . 84 GLU C . 27602 2
156 . 1 1 84 84 GLU CA C 13 55.391 0.034 . 1 . . . . . 84 GLU CA . 27602 2
157 . 1 1 84 84 GLU CB C 13 36.091 0.030 . 1 . . . . . 84 GLU CB . 27602 2
158 . 1 1 84 84 GLU CD C 13 183.330 0.025 . 1 . . . . . 84 GLU CD . 27602 2
159 . 1 1 84 84 GLU N N 15 128.540 0.059 . 1 . . . . . 84 GLU N . 27602 2
160 . 1 1 85 85 ASP C C 13 175.342 0.035 . 1 . . . . . 85 ASP C . 27602 2
161 . 1 1 85 85 ASP CA C 13 52.825 0.033 . 1 . . . . . 85 ASP CA . 27602 2
162 . 1 1 85 85 ASP CB C 13 44.118 0.025 . 1 . . . . . 85 ASP CB . 27602 2
163 . 1 1 85 85 ASP N N 15 129.052 0.121 . 1 . . . . . 85 ASP N . 27602 2
164 . 1 1 86 86 GLU C C 13 173.391 0.023 . 1 . . . . . 86 GLU C . 27602 2
165 . 1 1 86 86 GLU CA C 13 57.153 0.039 . 1 . . . . . 86 GLU CA . 27602 2
166 . 1 1 86 86 GLU CB C 13 26.102 0.085 . 1 . . . . . 86 GLU CB . 27602 2
167 . 1 1 86 86 GLU N N 15 120.292 0.079 . 1 . . . . . 86 GLU N . 27602 2
168 . 1 1 87 87 ALA C C 13 179.552 0.023 . 1 . . . . . 87 ALA C . 27602 2
169 . 1 1 87 87 ALA CA C 13 53.446 0.022 . 1 . . . . . 87 ALA CA . 27602 2
170 . 1 1 87 87 ALA CB C 13 21.098 0.023 . 1 . . . . . 87 ALA CB . 27602 2
171 . 1 1 87 87 ALA N N 15 122.080 0.048 . 1 . . . . . 87 ALA N . 27602 2
172 . 1 1 88 88 ASP C C 13 172.903 0.031 . 1 . . . . . 88 ASP C . 27602 2
173 . 1 1 88 88 ASP CA C 13 53.947 0.031 . 1 . . . . . 88 ASP CA . 27602 2
174 . 1 1 88 88 ASP CB C 13 43.075 0.031 . 1 . . . . . 88 ASP CB . 27602 2
175 . 1 1 88 88 ASP CG C 13 182.857 0.030 . 1 . . . . . 88 ASP CG . 27602 2
176 . 1 1 88 88 ASP N N 15 123.290 0.041 . 1 . . . . . 88 ASP N . 27602 2
177 . 1 1 89 89 TYR C C 13 174.534 0.040 . 1 . . . . . 89 TYR C . 27602 2
178 . 1 1 89 89 TYR CA C 13 51.726 0.032 . 1 . . . . . 89 TYR CA . 27602 2
179 . 1 1 89 89 TYR CB C 13 40.322 0.078 . 1 . . . . . 89 TYR CB . 27602 2
180 . 1 1 89 89 TYR CG C 13 125.270 0.021 . 1 . . . . . 89 TYR CG . 27602 2
181 . 1 1 89 89 TYR CD1 C 13 135.855 0.029 . 1 . . . . . 89 TYR CD1 . 27602 2
182 . 1 1 89 89 TYR CD2 C 13 135.855 0.029 . 1 . . . . . 89 TYR CD2 . 27602 2
183 . 1 1 89 89 TYR N N 15 124.055 0.049 . 1 . . . . . 89 TYR N . 27602 2
184 . 1 1 90 90 TYR C C 13 177.064 0.043 . 1 . . . . . 90 TYR C . 27602 2
185 . 1 1 90 90 TYR CA C 13 51.518 0.038 . 1 . . . . . 90 TYR CA . 27602 2
186 . 1 1 90 90 TYR CB C 13 40.641 0.063 . 1 . . . . . 90 TYR CB . 27602 2
187 . 1 1 90 90 TYR N N 15 123.085 0.058 . 1 . . . . . 90 TYR N . 27602 2
188 . 1 1 91 91 CYS C C 13 173.576 0.022 . 1 . . . . . 91 CYS C . 27602 2
189 . 1 1 91 91 CYS CA C 13 58.667 0.037 . 1 . . . . . 91 CYS CA . 27602 2
190 . 1 1 91 91 CYS CB C 13 39.788 0.090 . 1 . . . . . 91 CYS CB . 27602 2
191 . 1 1 91 91 CYS N N 15 120.631 0.051 . 1 . . . . . 91 CYS N . 27602 2
192 . 1 1 92 92 GLN C C 13 173.086 0.018 . 1 . . . . . 92 GLN C . 27602 2
193 . 1 1 92 92 GLN CA C 13 54.843 0.040 . 1 . . . . . 92 GLN CA . 27602 2
194 . 1 1 92 92 GLN CB C 13 32.381 0.031 . 1 . . . . . 92 GLN CB . 27602 2
195 . 1 1 92 92 GLN N N 15 122.541 0.097 . 1 . . . . . 92 GLN N . 27602 2
196 . 1 1 93 93 SER C C 13 171.349 0.046 . 1 . . . . . 93 SER C . 27602 2
197 . 1 1 93 93 SER CA C 13 55.031 0.034 . 1 . . . . . 93 SER CA . 27602 2
198 . 1 1 93 93 SER CB C 13 65.142 0.050 . 1 . . . . . 93 SER CB . 27602 2
199 . 1 1 93 93 SER N N 15 116.217 0.035 . 1 . . . . . 93 SER N . 27602 2
200 . 1 1 94 94 TYR C C 13 174.270 0.021 . 1 . . . . . 94 TYR C . 27602 2
201 . 1 1 94 94 TYR CA C 13 55.623 0.020 . 1 . . . . . 94 TYR CA . 27602 2
202 . 1 1 94 94 TYR CB C 13 38.138 0.044 . 1 . . . . . 94 TYR CB . 27602 2
203 . 1 1 94 94 TYR CD1 C 13 132.921 0.014 . 1 . . . . . 94 TYR CD1 . 27602 2
204 . 1 1 94 94 TYR CD2 C 13 132.921 0.014 . 1 . . . . . 94 TYR CD2 . 27602 2
205 . 1 1 94 94 TYR CE1 C 13 117.621 0.000 . 1 . . . . . 94 TYR CE1 . 27602 2
206 . 1 1 94 94 TYR CE2 C 13 117.621 0.000 . 1 . . . . . 94 TYR CE2 . 27602 2
207 . 1 1 94 94 TYR CZ C 13 157.128 0.000 . 1 . . . . . 94 TYR CZ . 27602 2
208 . 1 1 94 94 TYR N N 15 133.258 0.120 . 1 . . . . . 94 TYR N . 27602 2
209 . 1 1 95 95 ASP C C 13 174.762 0.027 . 1 . . . . . 95 ASP C . 27602 2
210 . 1 1 95 95 ASP CA C 13 52.411 0.037 . 1 . . . . . 95 ASP CA . 27602 2
211 . 1 1 95 95 ASP CB C 13 41.395 0.013 . 1 . . . . . 95 ASP CB . 27602 2
212 . 1 1 95 95 ASP CG C 13 180.624 0.009 . 1 . . . . . 95 ASP CG . 27602 2
213 . 1 1 95 95 ASP N N 15 126.344 0.029 . 1 . . . . . 95 ASP N . 27602 2
214 . 1 1 96 96 SER C C 13 174.404 0.035 . 1 . . . . . 96 SER C . 27602 2
215 . 1 1 96 96 SER CA C 13 55.810 0.016 . 1 . . . . . 96 SER CA . 27602 2
216 . 1 1 96 96 SER CB C 13 64.508 0.044 . 1 . . . . . 96 SER CB . 27602 2
217 . 1 1 96 96 SER N N 15 121.163 0.055 . 1 . . . . . 96 SER N . 27602 2
218 . 1 1 97 97 SER C C 13 173.644 0.015 . 1 . . . . . 97 SER C . 27602 2
219 . 1 1 97 97 SER CA C 13 58.961 0.035 . 1 . . . . . 97 SER CA . 27602 2
220 . 1 1 97 97 SER CB C 13 65.456 0.053 . 1 . . . . . 97 SER CB . 27602 2
221 . 1 1 97 97 SER N N 15 120.707 0.050 . 1 . . . . . 97 SER N . 27602 2
222 . 1 1 98 98 ASN C C 13 171.618 0.033 . 1 . . . . . 98 ASN C . 27602 2
223 . 1 1 98 98 ASN CA C 13 53.532 0.040 . 1 . . . . . 98 ASN CA . 27602 2
224 . 1 1 98 98 ASN CB C 13 38.853 0.032 . 1 . . . . . 98 ASN CB . 27602 2
225 . 1 1 98 98 ASN CG C 13 176.316 0.015 . 1 . . . . . 98 ASN CG . 27602 2
226 . 1 1 98 98 ASN N N 15 119.609 0.034 . 1 . . . . . 98 ASN N . 27602 2
227 . 1 1 98 98 ASN ND2 N 15 114.714 0.003 . 1 . . . . . 98 ASN ND2 . 27602 2
228 . 1 1 99 99 HIS C C 13 172.592 0.012 . 1 . . . . . 99 HIS C . 27602 2
229 . 1 1 99 99 HIS CA C 13 56.012 0.031 . 1 . . . . . 99 HIS CA . 27602 2
230 . 1 1 99 99 HIS CB C 13 34.983 0.036 . 1 . . . . . 99 HIS CB . 27602 2
231 . 1 1 99 99 HIS CD2 C 13 117.257 0.038 . 1 . . . . . 99 HIS CD2 . 27602 2
232 . 1 1 99 99 HIS CE1 C 13 137.492 0.007 . 1 . . . . . 99 HIS CE1 . 27602 2
233 . 1 1 99 99 HIS N N 15 127.761 0.018 . 1 . . . . . 99 HIS N . 27602 2
234 . 1 1 100 100 VAL C C 13 174.109 0.016 . 1 . . . . . 100 VAL C . 27602 2
235 . 1 1 100 100 VAL CA C 13 59.668 0.032 . 1 . . . . . 100 VAL CA . 27602 2
236 . 1 1 100 100 VAL CB C 13 33.913 0.036 . 1 . . . . . 100 VAL CB . 27602 2
237 . 1 1 100 100 VAL CG1 C 13 21.658 0.064 . 2 . . . . . 100 VAL CG1 . 27602 2
238 . 1 1 100 100 VAL CG2 C 13 22.215 0.022 . 2 . . . . . 100 VAL CG2 . 27602 2
239 . 1 1 100 100 VAL N N 15 128.377 0.032 . 1 . . . . . 100 VAL N . 27602 2
240 . 1 1 101 101 VAL C C 13 173.883 0.055 . 1 . . . . . 101 VAL C . 27602 2
241 . 1 1 101 101 VAL CA C 13 59.301 0.050 . 1 . . . . . 101 VAL CA . 27602 2
242 . 1 1 101 101 VAL CB C 13 36.614 0.079 . 1 . . . . . 101 VAL CB . 27602 2
243 . 1 1 101 101 VAL CG1 C 13 23.490 0.028 . 2 . . . . . 101 VAL CG1 . 27602 2
244 . 1 1 101 101 VAL CG2 C 13 23.793 0.031 . 2 . . . . . 101 VAL CG2 . 27602 2
245 . 1 1 101 101 VAL N N 15 121.772 0.076 . 1 . . . . . 101 VAL N . 27602 2
246 . 1 1 102 102 PHE C C 13 175.992 0.020 . 1 . . . . . 102 PHE C . 27602 2
247 . 1 1 102 102 PHE CA C 13 55.950 0.021 . 1 . . . . . 102 PHE CA . 27602 2
248 . 1 1 102 102 PHE CB C 13 40.946 0.026 . 1 . . . . . 102 PHE CB . 27602 2
249 . 1 1 102 102 PHE N N 15 125.666 0.026 . 1 . . . . . 102 PHE N . 27602 2
250 . 1 1 103 103 GLY C C 13 174.524 0.039 . 1 . . . . . 103 GLY C . 27602 2
251 . 1 1 103 103 GLY CA C 13 46.328 0.027 . 1 . . . . . 103 GLY CA . 27602 2
252 . 1 1 103 103 GLY N N 15 114.652 0.051 . 1 . . . . . 103 GLY N . 27602 2
253 . 1 1 104 104 GLY C C 13 171.705 0.016 . 1 . . . . . 104 GLY C . 27602 2
254 . 1 1 104 104 GLY CA C 13 46.938 0.038 . 1 . . . . . 104 GLY CA . 27602 2
255 . 1 1 104 104 GLY N N 15 107.030 0.010 . 1 . . . . . 104 GLY N . 27602 2
256 . 1 1 105 105 GLY C C 13 173.211 0.029 . 1 . . . . . 105 GLY C . 27602 2
257 . 1 1 105 105 GLY CA C 13 44.465 0.068 . 1 . . . . . 105 GLY CA . 27602 2
258 . 1 1 105 105 GLY N N 15 112.959 0.013 . 1 . . . . . 105 GLY N . 27602 2
259 . 1 1 106 106 THR C C 13 174.315 0.036 . 1 . . . . . 106 THR C . 27602 2
260 . 1 1 106 106 THR CA C 13 62.456 0.037 . 1 . . . . . 106 THR CA . 27602 2
261 . 1 1 106 106 THR CB C 13 70.901 0.057 . 1 . . . . . 106 THR CB . 27602 2
262 . 1 1 106 106 THR CG2 C 13 23.335 0.036 . 1 . . . . . 106 THR CG2 . 27602 2
263 . 1 1 106 106 THR N N 15 113.754 0.042 . 1 . . . . . 106 THR N . 27602 2
264 . 1 1 107 107 LYS C C 13 172.510 0.034 . 1 . . . . . 107 LYS C . 27602 2
265 . 1 1 107 107 LYS CA C 13 55.777 0.032 . 1 . . . . . 107 LYS CA . 27602 2
266 . 1 1 107 107 LYS CB C 13 35.419 0.077 . 1 . . . . . 107 LYS CB . 27602 2
267 . 1 1 107 107 LYS CG C 13 25.776 0.021 . 1 . . . . . 107 LYS CG . 27602 2
268 . 1 1 107 107 LYS CD C 13 30.079 0.033 . 1 . . . . . 107 LYS CD . 27602 2
269 . 1 1 107 107 LYS CE C 13 42.311 0.045 . 1 . . . . . 107 LYS CE . 27602 2
270 . 1 1 107 107 LYS N N 15 134.728 0.051 . 1 . . . . . 107 LYS N . 27602 2
271 . 1 1 108 108 LEU C C 13 175.425 0.047 . 1 . . . . . 108 LEU C . 27602 2
272 . 1 1 108 108 LEU CA C 13 54.375 0.021 . 1 . . . . . 108 LEU CA . 27602 2
273 . 1 1 108 108 LEU CB C 13 46.870 0.022 . 1 . . . . . 108 LEU CB . 27602 2
274 . 1 1 108 108 LEU CG C 13 27.296 0.000 . 1 . . . . . 108 LEU CG . 27602 2
275 . 1 1 108 108 LEU N N 15 127.837 0.023 . 1 . . . . . 108 LEU N . 27602 2
276 . 1 1 109 109 THR C C 13 173.063 0.029 . 1 . . . . . 109 THR C . 27602 2
277 . 1 1 109 109 THR CA C 13 62.759 0.031 . 1 . . . . . 109 THR CA . 27602 2
278 . 1 1 109 109 THR CB C 13 70.650 0.058 . 1 . . . . . 109 THR CB . 27602 2
279 . 1 1 109 109 THR CG2 C 13 20.085 0.017 . 1 . . . . . 109 THR CG2 . 27602 2
280 . 1 1 109 109 THR N N 15 124.693 0.034 . 1 . . . . . 109 THR N . 27602 2
281 . 1 1 110 110 VAL C C 13 174.020 0.022 . 1 . . . . . 110 VAL C . 27602 2
282 . 1 1 110 110 VAL CA C 13 60.196 0.020 . 1 . . . . . 110 VAL CA . 27602 2
283 . 1 1 110 110 VAL CB C 13 35.229 0.021 . 1 . . . . . 110 VAL CB . 27602 2
284 . 1 1 110 110 VAL CG1 C 13 21.294 0.014 . 1 . . . . . 110 VAL CG1 . 27602 2
285 . 1 1 110 110 VAL N N 15 126.105 0.039 . 1 . . . . . 110 VAL N . 27602 2
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