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 27110
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $Cond1
_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 .
_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 '3D HNCA' 1 $Sample1 isotropic 27110 1
2 '3D HNCACB' 1 $Sample1 isotropic 27110 1
3 'hncoca (H[N[co[{CA|ca[C]}]]])' 1 $Sample1 isotropic 27110 1
4 'hncocacb (H[N[co[{CA|ca[C]}]]])' 1 $Sample1 isotropic 27110 1
5 '2D 1H-15N HSQC/HMQC' 1 $Sample1 isotropic 27110 1
6 '3D 1H-15N NOESY' 1 $Sample1 isotropic 27110 1
7 '3D 1H-15N TOCSY' 1 $Sample1 isotropic 27110 1
8 'hCCH (H[C_[C]].Jmultibond)' 1 $Sample1 isotropic 27110 1
9 '3D HNCO' 1 $Sample1 isotropic 27110 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 $CcpNmr_Analysis . . 27110 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.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 2 2 ARG HA H 1 4.432 0.005 . 1 . . 512 . . 707 ARG HA . 27110 1
2 . 1 1 2 2 ARG HG2 H 1 1.636 . . 1 . . 515 . . 707 ARG HG2 . 27110 1
3 . 1 1 2 2 ARG HG3 H 1 1.636 . . 1 . . 516 . . 707 ARG HG3 . 27110 1
4 . 1 1 2 2 ARG C C 13 176.096 . . 1 . . 242 . . 707 ARG C . 27110 1
5 . 1 1 2 2 ARG CA C 13 56.356 0.037 . 1 . . 297 . . 707 ARG CA . 27110 1
6 . 1 1 2 2 ARG CB C 13 30.952 0.017 . 1 . . 296 . . 707 ARG CB . 27110 1
7 . 1 1 2 2 ARG CG C 13 27.166 0.009 . 1 . . 513 . . 707 ARG CG . 27110 1
8 . 1 1 2 2 ARG CD C 13 43.444 . . 1 . . 514 . . 707 ARG CD . 27110 1
9 . 1 1 3 3 VAL H H 1 8.237 0.004 . 1 . . 137 . . 708 VAL H . 27110 1
10 . 1 1 3 3 VAL HA H 1 4.087 0.006 . 1 . . 214 . . 708 VAL HA . 27110 1
11 . 1 1 3 3 VAL HB H 1 2.035 0.007 . 1 . . 215 . . 708 VAL HB . 27110 1
12 . 1 1 3 3 VAL HG11 H 1 0.943 0.001 . 2 . . 448 . . 708 VAL HG11 . 27110 1
13 . 1 1 3 3 VAL HG12 H 1 0.943 0.001 . 2 . . 448 . . 708 VAL HG12 . 27110 1
14 . 1 1 3 3 VAL HG13 H 1 0.943 0.001 . 2 . . 448 . . 708 VAL HG13 . 27110 1
15 . 1 1 3 3 VAL HG21 H 1 0.943 0.001 . 2 . . 449 . . 708 VAL HG21 . 27110 1
16 . 1 1 3 3 VAL HG22 H 1 0.943 0.001 . 2 . . 449 . . 708 VAL HG22 . 27110 1
17 . 1 1 3 3 VAL HG23 H 1 0.943 0.001 . 2 . . 449 . . 708 VAL HG23 . 27110 1
18 . 1 1 3 3 VAL C C 13 175.968 . . 1 . . 187 . . 708 VAL C . 27110 1
19 . 1 1 3 3 VAL CA C 13 62.437 0.015 . 1 . . 140 . . 708 VAL CA . 27110 1
20 . 1 1 3 3 VAL CB C 13 32.801 0.025 . 1 . . 139 . . 708 VAL CB . 27110 1
21 . 1 1 3 3 VAL CG1 C 13 21.114 . . 2 . . 442 . . 708 VAL CG1 . 27110 1
22 . 1 1 3 3 VAL CG2 C 13 20.791 . . 2 . . 443 . . 708 VAL CG2 . 27110 1
23 . 1 1 3 3 VAL N N 15 121.914 0.064 . 1 . . 138 . . 708 VAL N . 27110 1
24 . 1 1 4 4 ARG H H 1 8.426 0.004 . 1 . . 58 . . 709 ARG H . 27110 1
25 . 1 1 4 4 ARG HA H 1 4.351 . . 1 . . 216 . . 709 ARG HA . 27110 1
26 . 1 1 4 4 ARG HB2 H 1 1.761 0.003 . 2 . . 217 . . 709 ARG HB2 . 27110 1
27 . 1 1 4 4 ARG HB3 H 1 1.844 0.001 . 2 . . 218 . . 709 ARG HB3 . 27110 1
28 . 1 1 4 4 ARG HG2 H 1 1.621 0.008 . 1 . . 478 . . 709 ARG HG2 . 27110 1
29 . 1 1 4 4 ARG HG3 H 1 1.621 0.008 . 1 . . 479 . . 709 ARG HG3 . 27110 1
30 . 1 1 4 4 ARG HD2 H 1 3.152 0.007 . 2 . . 480 . . 709 ARG HD2 . 27110 1
31 . 1 1 4 4 ARG HD3 H 1 3.152 0.007 . 2 . . 483 . . 709 ARG HD3 . 27110 1
32 . 1 1 4 4 ARG C C 13 175.928 . . 1 . . 511 . . 709 ARG C . 27110 1
33 . 1 1 4 4 ARG CA C 13 56.105 0.042 . 1 . . 103 . . 709 ARG CA . 27110 1
34 . 1 1 4 4 ARG CB C 13 30.931 0.016 . 1 . . 126 . . 709 ARG CB . 27110 1
35 . 1 1 4 4 ARG CG C 13 27.202 0.015 . 1 . . 481 . . 709 ARG CG . 27110 1
36 . 1 1 4 4 ARG CD C 13 43.433 0.026 . 1 . . 482 . . 709 ARG CD . 27110 1
37 . 1 1 4 4 ARG N N 15 125.442 0.032 . 1 . . 59 . . 709 ARG N . 27110 1
38 . 1 1 5 5 GLN H H 1 8.458 0.002 . 1 . . 56 . . 710 GLN H . 27110 1
39 . 1 1 5 5 GLN HA H 1 4.330 0.005 . 1 . . 219 . . 710 GLN HA . 27110 1
40 . 1 1 5 5 GLN HB2 H 1 2.002 . . 2 . . 220 . . 710 GLN HB2 . 27110 1
41 . 1 1 5 5 GLN HB3 H 1 2.093 . . 2 . . 221 . . 710 GLN HB3 . 27110 1
42 . 1 1 5 5 GLN HG2 H 1 2.367 0.007 . 2 . . 316 . . 710 GLN HG2 . 27110 1
43 . 1 1 5 5 GLN HG3 H 1 2.378 . . 2 . . 503 . . 710 GLN HG3 . 27110 1
44 . 1 1 5 5 GLN HE21 H 1 7.490 0.003 . 1 . . 322 . . 710 GLN HE21 . 27110 1
45 . 1 1 5 5 GLN HE22 H 1 6.848 . . 1 . . 324 . . 710 GLN HE22 . 27110 1
46 . 1 1 5 5 GLN C C 13 176.290 . . 1 . . 159 . . 710 GLN C . 27110 1
47 . 1 1 5 5 GLN CA C 13 56.199 0.033 . 1 . . 128 . . 710 GLN CA . 27110 1
48 . 1 1 5 5 GLN CB C 13 29.548 0.032 . 1 . . 84 . . 710 GLN CB . 27110 1
49 . 1 1 5 5 GLN CG C 13 33.804 0.033 . 1 . . 318 . . 710 GLN CG . 27110 1
50 . 1 1 5 5 GLN N N 15 122.537 0.028 . 1 . . 57 . . 710 GLN N . 27110 1
51 . 1 1 5 5 GLN NE2 N 15 112.259 0.024 . 1 . . 323 . . 710 GLN NE2 . 27110 1
52 . 1 1 6 6 GLY H H 1 8.463 0.003 . 1 . . 26 . . 711 GLY H . 27110 1
53 . 1 1 6 6 GLY HA2 H 1 3.918 0.001 . 2 . . 222 . . 711 GLY HA2 . 27110 1
54 . 1 1 6 6 GLY HA3 H 1 3.931 0.01 . 2 . . 223 . . 711 GLY HA3 . 27110 1
55 . 1 1 6 6 GLY C C 13 173.511 . . 1 . . 160 . . 711 GLY C . 27110 1
56 . 1 1 6 6 GLY CA C 13 45.241 0.019 . 1 . . 107 . . 711 GLY CA . 27110 1
57 . 1 1 6 6 GLY N N 15 110.667 0.04 . 1 . . 27 . . 711 GLY N . 27110 1
58 . 1 1 7 7 TYR H H 1 8.049 0.003 . 1 . . 20 . . 712 TYR H . 27110 1
59 . 1 1 7 7 TYR HA H 1 4.597 0.009 . 1 . . 225 . . 712 TYR HA . 27110 1
60 . 1 1 7 7 TYR HB2 H 1 2.973 0.006 . 2 . . 224 . . 712 TYR HB2 . 27110 1
61 . 1 1 7 7 TYR HB3 H 1 2.973 0.006 . 2 . . 505 . . 712 TYR HB3 . 27110 1
62 . 1 1 7 7 TYR C C 13 175.368 . . 1 . . 161 . . 712 TYR C . 27110 1
63 . 1 1 7 7 TYR CA C 13 57.909 0.032 . 1 . . 110 . . 712 TYR CA . 27110 1
64 . 1 1 7 7 TYR CB C 13 39.208 0.007 . 1 . . 111 . . 712 TYR CB . 27110 1
65 . 1 1 7 7 TYR N N 15 120.291 0.046 . 1 . . 21 . . 712 TYR N . 27110 1
66 . 1 1 8 8 SER H H 1 8.138 0.006 . 1 . . 48 . . 713 SER H . 27110 1
67 . 1 1 8 8 SER HA H 1 4.720 0.01 . 1 . . 438 . . 713 SER HA . 27110 1
68 . 1 1 8 8 SER HB2 H 1 3.793 . . 2 . . 437 . . 713 SER HB2 . 27110 1
69 . 1 1 8 8 SER HB3 H 1 3.784 0.0 . 2 . . 439 . . 713 SER HB3 . 27110 1
70 . 1 1 8 8 SER CA C 13 55.698 0.043 . 1 . . 91 . . 713 SER CA . 27110 1
71 . 1 1 8 8 SER CB C 13 63.834 0.011 . 1 . . 90 . . 713 SER CB . 27110 1
72 . 1 1 8 8 SER N N 15 119.873 0.045 . 1 . . 49 . . 713 SER N . 27110 1
73 . 1 1 9 9 PRO HA H 1 4.369 0.003 . 1 . . 385 . . 714 PRO HA . 27110 1
74 . 1 1 9 9 PRO HB2 H 1 2.296 . . 2 . . 388 . . 714 PRO HB2 . 27110 1
75 . 1 1 9 9 PRO HB3 H 1 1.926 . . 2 . . 389 . . 714 PRO HB3 . 27110 1
76 . 1 1 9 9 PRO HG2 H 1 1.995 . . 2 . . 393 . . 714 PRO HG2 . 27110 1
77 . 1 1 9 9 PRO HG3 H 1 1.984 . . 2 . . 394 . . 714 PRO HG3 . 27110 1
78 . 1 1 9 9 PRO HD2 H 1 3.672 . . 2 . . 391 . . 714 PRO HD2 . 27110 1
79 . 1 1 9 9 PRO HD3 H 1 3.599 . . 2 . . 392 . . 714 PRO HD3 . 27110 1
80 . 1 1 9 9 PRO C C 13 176.840 . . 1 . . 162 . . 714 PRO C . 27110 1
81 . 1 1 9 9 PRO CA C 13 63.478 0.015 . 1 . . 328 . . 714 PRO CA . 27110 1
82 . 1 1 9 9 PRO CB C 13 32.050 0.007 . 1 . . 329 . . 714 PRO CB . 27110 1
83 . 1 1 9 9 PRO CG C 13 27.272 0.003 . 1 . . 387 . . 714 PRO CG . 27110 1
84 . 1 1 9 9 PRO CD C 13 50.849 0.009 . 1 . . 386 . . 714 PRO CD . 27110 1
85 . 1 1 10 10 LEU H H 1 8.105 0.004 . 1 . . 60 . . 715 LEU H . 27110 1
86 . 1 1 10 10 LEU HA H 1 4.280 0.004 . 1 . . 226 . . 715 LEU HA . 27110 1
87 . 1 1 10 10 LEU HB2 H 1 1.606 0.001 . 2 . . 227 . . 715 LEU HB2 . 27110 1
88 . 1 1 10 10 LEU HB3 H 1 1.528 0.003 . 2 . . 228 . . 715 LEU HB3 . 27110 1
89 . 1 1 10 10 LEU HG H 1 1.607 . . 1 . . 361 . . 715 LEU HG . 27110 1
90 . 1 1 10 10 LEU HD11 H 1 0.918 0.0 . 2 . . 362 . . 715 LEU HD11 . 27110 1
91 . 1 1 10 10 LEU HD12 H 1 0.918 0.0 . 2 . . 362 . . 715 LEU HD12 . 27110 1
92 . 1 1 10 10 LEU HD13 H 1 0.918 0.0 . 2 . . 362 . . 715 LEU HD13 . 27110 1
93 . 1 1 10 10 LEU HD21 H 1 0.862 . . 2 . . 363 . . 715 LEU HD21 . 27110 1
94 . 1 1 10 10 LEU HD22 H 1 0.862 . . 2 . . 363 . . 715 LEU HD22 . 27110 1
95 . 1 1 10 10 LEU HD23 H 1 0.862 . . 2 . . 363 . . 715 LEU HD23 . 27110 1
96 . 1 1 10 10 LEU C C 13 177.578 . . 1 . . 163 . . 715 LEU C . 27110 1
97 . 1 1 10 10 LEU CA C 13 55.422 0.033 . 1 . . 82 . . 715 LEU CA . 27110 1
98 . 1 1 10 10 LEU CB C 13 42.128 0.017 . 1 . . 83 . . 715 LEU CB . 27110 1
99 . 1 1 10 10 LEU CG C 13 27.121 0.001 . 1 . . 360 . . 715 LEU CG . 27110 1
100 . 1 1 10 10 LEU CD1 C 13 24.920 0.001 . 2 . . 358 . . 715 LEU CD1 . 27110 1
101 . 1 1 10 10 LEU CD2 C 13 23.421 0.014 . 2 . . 359 . . 715 LEU CD2 . 27110 1
102 . 1 1 10 10 LEU N N 15 120.656 0.042 . 1 . . 61 . . 715 LEU N . 27110 1
103 . 1 1 11 11 SER H H 1 8.024 0.002 . 1 . . 32 . . 716 SER H . 27110 1
104 . 1 1 11 11 SER HA H 1 4.374 0.003 . 1 . . 229 . . 716 SER HA . 27110 1
105 . 1 1 11 11 SER HB2 H 1 3.794 0.0 . 2 . . 230 . . 716 SER HB2 . 27110 1
106 . 1 1 11 11 SER HB3 H 1 3.811 0.0 . 2 . . 231 . . 716 SER HB3 . 27110 1
107 . 1 1 11 11 SER C C 13 174.240 . . 1 . . 164 . . 716 SER C . 27110 1
108 . 1 1 11 11 SER CA C 13 58.557 0.028 . 1 . . 102 . . 716 SER CA . 27110 1
109 . 1 1 11 11 SER CB C 13 63.840 0.014 . 1 . . 101 . . 716 SER CB . 27110 1
110 . 1 1 11 11 SER N N 15 115.517 0.037 . 1 . . 33 . . 716 SER N . 27110 1
111 . 1 1 12 12 PHE H H 1 8.062 0.005 . 1 . . 54 . . 717 PHE H . 27110 1
112 . 1 1 12 12 PHE HA H 1 4.641 0.002 . 1 . . 382 . . 717 PHE HA . 27110 1
113 . 1 1 12 12 PHE HB2 H 1 3.180 0.0 . 2 . . 383 . . 717 PHE HB2 . 27110 1
114 . 1 1 12 12 PHE HB3 H 1 3.051 0.009 . 2 . . 384 . . 717 PHE HB3 . 27110 1
115 . 1 1 12 12 PHE C C 13 175.545 . . 1 . . 165 . . 717 PHE C . 27110 1
116 . 1 1 12 12 PHE CA C 13 57.895 0.041 . 1 . . 85 . . 717 PHE CA . 27110 1
117 . 1 1 12 12 PHE CB C 13 39.407 0.012 . 1 . . 86 . . 717 PHE CB . 27110 1
118 . 1 1 12 12 PHE N N 15 121.506 0.039 . 1 . . 55 . . 717 PHE N . 27110 1
119 . 1 1 13 13 GLN H H 1 8.156 0.004 . 1 . . 10 . . 718 GLN H . 27110 1
120 . 1 1 13 13 GLN HA H 1 4.352 0.004 . 1 . . 232 . . 718 GLN HA . 27110 1
121 . 1 1 13 13 GLN HB2 H 1 2.060 . . 2 . . 314 . . 718 GLN HB2 . 27110 1
122 . 1 1 13 13 GLN HB3 H 1 1.941 . . 2 . . 315 . . 718 GLN HB3 . 27110 1
123 . 1 1 13 13 GLN HG2 H 1 2.275 0.007 . 2 . . 317 . . 718 GLN HG2 . 27110 1
124 . 1 1 13 13 GLN HG3 H 1 2.286 . . 2 . . 504 . . 718 GLN HG3 . 27110 1
125 . 1 1 13 13 GLN HE21 H 1 7.472 0.001 . 1 . . 325 . . 718 GLN HE21 . 27110 1
126 . 1 1 13 13 GLN HE22 H 1 6.848 . . 1 . . 326 . . 718 GLN HE22 . 27110 1
127 . 1 1 13 13 GLN C C 13 175.786 . . 1 . . 166 . . 718 GLN C . 27110 1
128 . 1 1 13 13 GLN CA C 13 55.968 0.047 . 1 . . 117 . . 718 GLN CA . 27110 1
129 . 1 1 13 13 GLN CB C 13 29.606 0.038 . 1 . . 118 . . 718 GLN CB . 27110 1
130 . 1 1 13 13 GLN CG C 13 33.907 0.043 . 1 . . 319 . . 718 GLN CG . 27110 1
131 . 1 1 13 13 GLN N N 15 121.069 0.024 . 1 . . 11 . . 718 GLN N . 27110 1
132 . 1 1 13 13 GLN NE2 N 15 112.252 0.016 . 1 . . 327 . . 718 GLN NE2 . 27110 1
133 . 1 1 14 14 THR H H 1 8.053 0.004 . 1 . . 22 . . 719 THR H . 27110 1
134 . 1 1 14 14 THR HA H 1 4.263 0.005 . 1 . . 233 . . 719 THR HA . 27110 1
135 . 1 1 14 14 THR HB H 1 4.170 . . 1 . . 234 . . 719 THR HB . 27110 1
136 . 1 1 14 14 THR HG21 H 1 1.171 . . 1 . . 441 . . 719 THR HG21 . 27110 1
137 . 1 1 14 14 THR HG22 H 1 1.171 . . 1 . . 441 . . 719 THR HG22 . 27110 1
138 . 1 1 14 14 THR HG23 H 1 1.171 . . 1 . . 441 . . 719 THR HG23 . 27110 1
139 . 1 1 14 14 THR C C 13 174.099 . . 1 . . 167 . . 719 THR C . 27110 1
140 . 1 1 14 14 THR CA C 13 62.095 0.032 . 1 . . 109 . . 719 THR CA . 27110 1
141 . 1 1 14 14 THR CB C 13 69.809 0.015 . 1 . . 108 . . 719 THR CB . 27110 1
142 . 1 1 14 14 THR CG2 C 13 21.605 0.021 . 1 . . 440 . . 719 THR CG2 . 27110 1
143 . 1 1 14 14 THR N N 15 114.630 0.034 . 1 . . 23 . . 719 THR N . 27110 1
144 . 1 1 15 15 HIS H H 1 8.378 0.003 . 1 . . 142 . . 720 HIS H . 27110 1
145 . 1 1 15 15 HIS HA H 1 4.714 0.01 . 1 . . 334 . . 720 HIS HA . 27110 1
146 . 1 1 15 15 HIS HB2 H 1 3.251 . . 2 . . 332 . . 720 HIS HB2 . 27110 1
147 . 1 1 15 15 HIS HB3 H 1 3.154 . . 2 . . 333 . . 720 HIS HB3 . 27110 1
148 . 1 1 15 15 HIS C C 13 174.146 . . 1 . . 168 . . 720 HIS C . 27110 1
149 . 1 1 15 15 HIS CA C 13 55.423 0.031 . 1 . . 144 . . 720 HIS CA . 27110 1
150 . 1 1 15 15 HIS CB C 13 29.543 0.043 . 1 . . 145 . . 720 HIS CB . 27110 1
151 . 1 1 15 15 HIS N N 15 120.606 0.036 . 1 . . 143 . . 720 HIS N . 27110 1
152 . 1 1 16 16 LEU H H 1 8.219 0.008 . 1 . . 74 . . 721 LEU H . 27110 1
153 . 1 1 16 16 LEU HA H 1 4.599 0.007 . 1 . . 364 . . 721 LEU HA . 27110 1
154 . 1 1 16 16 LEU HB2 H 1 1.578 . . 2 . . 366 . . 721 LEU HB2 . 27110 1
155 . 1 1 16 16 LEU HB3 H 1 1.532 . . 2 . . 367 . . 721 LEU HB3 . 27110 1
156 . 1 1 16 16 LEU HG H 1 1.587 . . 1 . . 369 . . 721 LEU HG . 27110 1
157 . 1 1 16 16 LEU HD11 H 1 0.928 . . 2 . . 371 . . 721 LEU HD11 . 27110 1
158 . 1 1 16 16 LEU HD12 H 1 0.928 . . 2 . . 371 . . 721 LEU HD12 . 27110 1
159 . 1 1 16 16 LEU HD13 H 1 0.928 . . 2 . . 371 . . 721 LEU HD13 . 27110 1
160 . 1 1 16 16 LEU HD21 H 1 0.898 0.0 . 2 . . 373 . . 721 LEU HD21 . 27110 1
161 . 1 1 16 16 LEU HD22 H 1 0.898 0.0 . 2 . . 373 . . 721 LEU HD22 . 27110 1
162 . 1 1 16 16 LEU HD23 H 1 0.898 0.0 . 2 . . 373 . . 721 LEU HD23 . 27110 1
163 . 1 1 16 16 LEU CA C 13 53.107 0.032 . 1 . . 76 . . 721 LEU CA . 27110 1
164 . 1 1 16 16 LEU CB C 13 41.884 0.013 . 1 . . 365 . . 721 LEU CB . 27110 1
165 . 1 1 16 16 LEU CG C 13 27.002 0.075 . 1 . . 368 . . 721 LEU CG . 27110 1
166 . 1 1 16 16 LEU CD1 C 13 25.151 0.003 . 2 . . 370 . . 721 LEU CD1 . 27110 1
167 . 1 1 16 16 LEU CD2 C 13 23.316 0.036 . 2 . . 372 . . 721 LEU CD2 . 27110 1
168 . 1 1 16 16 LEU N N 15 124.756 0.031 . 1 . . 75 . . 721 LEU N . 27110 1
169 . 1 1 17 17 PRO HA H 1 4.447 0.005 . 1 . . 395 . . 722 PRO HA . 27110 1
170 . 1 1 17 17 PRO HB2 H 1 2.243 0.006 . 2 . . 397 . . 722 PRO HB2 . 27110 1
171 . 1 1 17 17 PRO HB3 H 1 1.870 . . 2 . . 399 . . 722 PRO HB3 . 27110 1
172 . 1 1 17 17 PRO HG2 H 1 2.024 . . 2 . . 403 . . 722 PRO HG2 . 27110 1
173 . 1 1 17 17 PRO HG3 H 1 2.015 . . 2 . . 404 . . 722 PRO HG3 . 27110 1
174 . 1 1 17 17 PRO HD2 H 1 3.791 . . 2 . . 400 . . 722 PRO HD2 . 27110 1
175 . 1 1 17 17 PRO HD3 H 1 3.626 . . 2 . . 401 . . 722 PRO HD3 . 27110 1
176 . 1 1 17 17 PRO C C 13 176.445 . . 1 . . 169 . . 722 PRO C . 27110 1
177 . 1 1 17 17 PRO CA C 13 62.945 0.011 . 1 . . 330 . . 722 PRO CA . 27110 1
178 . 1 1 17 17 PRO CB C 13 31.782 0.02 . 1 . . 398 . . 722 PRO CB . 27110 1
179 . 1 1 17 17 PRO CG C 13 27.440 0.015 . 1 . . 402 . . 722 PRO CG . 27110 1
180 . 1 1 17 17 PRO CD C 13 50.575 0.025 . 1 . . 396 . . 722 PRO CD . 27110 1
181 . 1 1 18 18 ILE H H 1 8.127 0.002 . 1 . . 7 . . 723 ILE H . 27110 1
182 . 1 1 18 18 ILE HA H 1 4.432 0.006 . 1 . . 335 . . 723 ILE HA . 27110 1
183 . 1 1 18 18 ILE HB H 1 1.835 0.005 . 1 . . 235 . . 723 ILE HB . 27110 1
184 . 1 1 18 18 ILE HG12 H 1 1.542 0.005 . 2 . . 339 . . 723 ILE HG12 . 27110 1
185 . 1 1 18 18 ILE HG13 H 1 1.189 0.003 . 2 . . 340 . . 723 ILE HG13 . 27110 1
186 . 1 1 18 18 ILE HG21 H 1 0.952 0.003 . 1 . . 341 . . 723 ILE HG21 . 27110 1
187 . 1 1 18 18 ILE HG22 H 1 0.952 0.003 . 1 . . 341 . . 723 ILE HG22 . 27110 1
188 . 1 1 18 18 ILE HG23 H 1 0.952 0.003 . 1 . . 341 . . 723 ILE HG23 . 27110 1
189 . 1 1 18 18 ILE HD11 H 1 0.866 . . 1 . . 342 . . 723 ILE HD11 . 27110 1
190 . 1 1 18 18 ILE HD12 H 1 0.866 . . 1 . . 342 . . 723 ILE HD12 . 27110 1
191 . 1 1 18 18 ILE HD13 H 1 0.866 . . 1 . . 342 . . 723 ILE HD13 . 27110 1
192 . 1 1 18 18 ILE CA C 13 58.690 0.023 . 1 . . 121 . . 723 ILE CA . 27110 1
193 . 1 1 18 18 ILE CB C 13 38.863 0.011 . 1 . . 120 . . 723 ILE CB . 27110 1
194 . 1 1 18 18 ILE CG1 C 13 27.089 0.013 . 1 . . 336 . . 723 ILE CG1 . 27110 1
195 . 1 1 18 18 ILE CG2 C 13 17.184 0.013 . 1 . . 337 . . 723 ILE CG2 . 27110 1
196 . 1 1 18 18 ILE CD1 C 13 12.831 0.006 . 1 . . 338 . . 723 ILE CD1 . 27110 1
197 . 1 1 18 18 ILE N N 15 122.653 0.035 . 1 . . 8 . . 723 ILE N . 27110 1
198 . 1 1 19 19 PRO HA H 1 4.423 0.002 . 1 . . 405 . . 724 PRO HA . 27110 1
199 . 1 1 19 19 PRO HB2 H 1 2.287 . . 2 . . 407 . . 724 PRO HB2 . 27110 1
200 . 1 1 19 19 PRO HB3 H 1 1.928 . . 2 . . 409 . . 724 PRO HB3 . 27110 1
201 . 1 1 19 19 PRO HG2 H 1 2.040 . . 2 . . 413 . . 724 PRO HG2 . 27110 1
202 . 1 1 19 19 PRO HG3 H 1 1.982 . . 2 . . 414 . . 724 PRO HG3 . 27110 1
203 . 1 1 19 19 PRO HD2 H 1 3.882 . . 2 . . 410 . . 724 PRO HD2 . 27110 1
204 . 1 1 19 19 PRO HD3 H 1 3.674 . . 2 . . 411 . . 724 PRO HD3 . 27110 1
205 . 1 1 19 19 PRO C C 13 176.633 . . 1 . . 239 . . 724 PRO C . 27110 1
206 . 1 1 19 19 PRO CA C 13 63.262 0.032 . 1 . . 298 . . 724 PRO CA . 27110 1
207 . 1 1 19 19 PRO CB C 13 32.126 0.034 . 1 . . 408 . . 724 PRO CB . 27110 1
208 . 1 1 19 19 PRO CG C 13 27.412 0.054 . 1 . . 412 . . 724 PRO CG . 27110 1
209 . 1 1 19 19 PRO CD C 13 51.109 0.014 . 1 . . 406 . . 724 PRO CD . 27110 1
210 . 1 1 20 20 ARG H H 1 8.383 0.002 . 1 . . 30 . . 725 ARG H . 27110 1
211 . 1 1 20 20 ARG HA H 1 4.377 0.004 . 1 . . 236 . . 725 ARG HA . 27110 1
212 . 1 1 20 20 ARG HB2 H 1 1.890 0.01 . 2 . . 451 . . 725 ARG HB2 . 27110 1
213 . 1 1 20 20 ARG HB3 H 1 1.786 0.008 . 2 . . 485 . . 725 ARG HB3 . 27110 1
214 . 1 1 20 20 ARG HG2 H 1 1.708 0.009 . 1 . . 477 . . 725 ARG HG2 . 27110 1
215 . 1 1 20 20 ARG HG3 H 1 1.708 0.009 . 1 . . 488 . . 725 ARG HG3 . 27110 1
216 . 1 1 20 20 ARG HD2 H 1 3.218 0.007 . 1 . . 450 . . 725 ARG HD2 . 27110 1
217 . 1 1 20 20 ARG HD3 H 1 3.218 0.007 . 1 . . 487 . . 725 ARG HD3 . 27110 1
218 . 1 1 20 20 ARG C C 13 176.538 . . 1 . . 191 . . 725 ARG C . 27110 1
219 . 1 1 20 20 ARG CA C 13 56.074 0.051 . 1 . . 210 . . 725 ARG CA . 27110 1
220 . 1 1 20 20 ARG CB C 13 31.177 0.028 . 1 . . 211 . . 725 ARG CB . 27110 1
221 . 1 1 20 20 ARG CG C 13 27.126 0.013 . 1 . . 484 . . 725 ARG CG . 27110 1
222 . 1 1 20 20 ARG CD C 13 43.437 0.008 . 1 . . 486 . . 725 ARG CD . 27110 1
223 . 1 1 20 20 ARG N N 15 121.601 0.039 . 1 . . 31 . . 725 ARG N . 27110 1
224 . 1 1 21 21 GLY H H 1 8.286 0.003 . 1 . . 146 . . 726 GLY H . 27110 1
225 . 1 1 21 21 GLY HA2 H 1 4.188 0.001 . 2 . . 237 . . 726 GLY HA2 . 27110 1
226 . 1 1 21 21 GLY HA3 H 1 4.052 0.007 . 2 . . 238 . . 726 GLY HA3 . 27110 1
227 . 1 1 21 21 GLY CA C 13 44.690 . . 1 . . 148 . . 726 GLY CA . 27110 1
228 . 1 1 21 21 GLY N N 15 110.468 0.037 . 1 . . 147 . . 726 GLY N . 27110 1
229 . 1 1 22 22 PRO HA H 1 4.436 0.002 . 1 . . 416 . . 727 PRO HA . 27110 1
230 . 1 1 22 22 PRO HB2 H 1 2.270 . . 2 . . 418 . . 727 PRO HB2 . 27110 1
231 . 1 1 22 22 PRO HB3 H 1 1.951 . . 2 . . 420 . . 727 PRO HB3 . 27110 1
232 . 1 1 22 22 PRO HG2 H 1 2.027 . . 2 . . 424 . . 727 PRO HG2 . 27110 1
233 . 1 1 22 22 PRO HG3 H 1 2.021 . . 2 . . 425 . . 727 PRO HG3 . 27110 1
234 . 1 1 22 22 PRO HD2 H 1 3.643 . . 2 . . 421 . . 727 PRO HD2 . 27110 1
235 . 1 1 22 22 PRO HD3 H 1 3.619 . . 2 . . 422 . . 727 PRO HD3 . 27110 1
236 . 1 1 22 22 PRO C C 13 176.760 . . 1 . . 170 . . 727 PRO C . 27110 1
237 . 1 1 22 22 PRO CA C 13 63.345 0.022 . 1 . . 415 . . 727 PRO CA . 27110 1
238 . 1 1 22 22 PRO CB C 13 32.174 0.031 . 1 . . 419 . . 727 PRO CB . 27110 1
239 . 1 1 22 22 PRO CG C 13 27.076 0.008 . 1 . . 423 . . 727 PRO CG . 27110 1
240 . 1 1 22 22 PRO CD C 13 49.849 0.03 . 1 . . 417 . . 727 PRO CD . 27110 1
241 . 1 1 23 23 ASP H H 1 8.418 0.004 . 1 . . 52 . . 728 ASP H . 27110 1
242 . 1 1 23 23 ASP HA H 1 4.566 0.007 . 1 . . 243 . . 728 ASP HA . 27110 1
243 . 1 1 23 23 ASP HB2 H 1 2.692 0.001 . 2 . . 244 . . 728 ASP HB2 . 27110 1
244 . 1 1 23 23 ASP HB3 H 1 2.601 0.004 . 2 . . 245 . . 728 ASP HB3 . 27110 1
245 . 1 1 23 23 ASP C C 13 175.747 . . 1 . . 171 . . 728 ASP C . 27110 1
246 . 1 1 23 23 ASP CA C 13 54.581 0.064 . 1 . . 87 . . 728 ASP CA . 27110 1
247 . 1 1 23 23 ASP CB C 13 40.992 0.009 . 1 . . 141 . . 728 ASP CB . 27110 1
248 . 1 1 23 23 ASP N N 15 119.889 0.046 . 1 . . 53 . . 728 ASP N . 27110 1
249 . 1 1 24 24 ARG H H 1 8.081 0.006 . 1 . . 65 . . 729 ARG H . 27110 1
250 . 1 1 24 24 ARG HA H 1 4.656 0.008 . 1 . . 247 . . 729 ARG HA . 27110 1
251 . 1 1 24 24 ARG HB2 H 1 1.851 0.004 . 2 . . 248 . . 729 ARG HB2 . 27110 1
252 . 1 1 24 24 ARG HB3 H 1 1.729 0.008 . 2 . . 249 . . 729 ARG HB3 . 27110 1
253 . 1 1 24 24 ARG HG2 H 1 1.642 0.01 . 1 . . 470 . . 729 ARG HG2 . 27110 1
254 . 1 1 24 24 ARG HG3 H 1 1.642 0.01 . 1 . . 471 . . 729 ARG HG3 . 27110 1
255 . 1 1 24 24 ARG HD2 H 1 3.200 0.005 . 2 . . 472 . . 729 ARG HD2 . 27110 1
256 . 1 1 24 24 ARG HD3 H 1 3.195 0.0 . 2 . . 473 . . 729 ARG HD3 . 27110 1
257 . 1 1 24 24 ARG CA C 13 53.652 0.052 . 1 . . 79 . . 729 ARG CA . 27110 1
258 . 1 1 24 24 ARG CB C 13 30.536 0.039 . 1 . . 80 . . 729 ARG CB . 27110 1
259 . 1 1 24 24 ARG CG C 13 26.751 0.038 . 1 . . 302 . . 729 ARG CG . 27110 1
260 . 1 1 24 24 ARG CD C 13 43.486 0.019 . 1 . . 300 . . 729 ARG CD . 27110 1
261 . 1 1 24 24 ARG N N 15 121.387 0.042 . 1 . . 66 . . 729 ARG N . 27110 1
262 . 1 1 25 25 PRO HA H 1 4.423 0.002 . 1 . . 427 . . 730 PRO HA . 27110 1
263 . 1 1 25 25 PRO HB2 H 1 2.289 . . 2 . . 428 . . 730 PRO HB2 . 27110 1
264 . 1 1 25 25 PRO HB3 H 1 1.927 . . 2 . . 430 . . 730 PRO HB3 . 27110 1
265 . 1 1 25 25 PRO HG2 H 1 2.024 . . 2 . . 435 . . 730 PRO HG2 . 27110 1
266 . 1 1 25 25 PRO HG3 H 1 2.019 . . 2 . . 436 . . 730 PRO HG3 . 27110 1
267 . 1 1 25 25 PRO HD2 H 1 3.757 . . 2 . . 431 . . 730 PRO HD2 . 27110 1
268 . 1 1 25 25 PRO HD3 H 1 3.629 . . 2 . . 433 . . 730 PRO HD3 . 27110 1
269 . 1 1 25 25 PRO C C 13 176.883 . . 1 . . 172 . . 730 PRO C . 27110 1
270 . 1 1 25 25 PRO CA C 13 63.311 0.039 . 1 . . 426 . . 730 PRO CA . 27110 1
271 . 1 1 25 25 PRO CB C 13 32.086 0.019 . 1 . . 429 . . 730 PRO CB . 27110 1
272 . 1 1 25 25 PRO CG C 13 27.511 0.04 . 1 . . 434 . . 730 PRO CG . 27110 1
273 . 1 1 25 25 PRO CD C 13 50.670 0.054 . 1 . . 432 . . 730 PRO CD . 27110 1
274 . 1 1 26 26 GLU H H 1 8.609 0.005 . 1 . . 24 . . 731 GLU H . 27110 1
275 . 1 1 26 26 GLU HA H 1 4.269 0.008 . 1 . . 250 . . 731 GLU HA . 27110 1
276 . 1 1 26 26 GLU HB2 H 1 2.063 0.005 . 2 . . 251 . . 731 GLU HB2 . 27110 1
277 . 1 1 26 26 GLU HB3 H 1 1.962 0.008 . 2 . . 252 . . 731 GLU HB3 . 27110 1
278 . 1 1 26 26 GLU HG2 H 1 2.307 0.008 . 2 . . 452 . . 731 GLU HG2 . 27110 1
279 . 1 1 26 26 GLU HG3 H 1 2.304 0.003 . 2 . . 453 . . 731 GLU HG3 . 27110 1
280 . 1 1 26 26 GLU C C 13 177.078 . . 1 . . 173 . . 731 GLU C . 27110 1
281 . 1 1 26 26 GLU CA C 13 56.953 0.027 . 1 . . 98 . . 731 GLU CA . 27110 1
282 . 1 1 26 26 GLU CB C 13 30.270 0.002 . 1 . . 97 . . 731 GLU CB . 27110 1
283 . 1 1 26 26 GLU CG C 13 36.250 . . 1 . . 509 . . 731 GLU CG . 27110 1
284 . 1 1 26 26 GLU N N 15 120.807 0.048 . 1 . . 25 . . 731 GLU N . 27110 1
285 . 1 1 27 27 GLY H H 1 8.408 0.003 . 1 . . 62 . . 732 GLY H . 27110 1
286 . 1 1 27 27 GLY HA2 H 1 3.985 0.005 . 2 . . 253 . . 732 GLY HA2 . 27110 1
287 . 1 1 27 27 GLY HA3 H 1 3.981 0.006 . 2 . . 254 . . 732 GLY HA3 . 27110 1
288 . 1 1 27 27 GLY C C 13 174.004 . . 1 . . 174 . . 732 GLY C . 27110 1
289 . 1 1 27 27 GLY CA C 13 45.477 0.023 . 1 . . 81 . . 732 GLY CA . 27110 1
290 . 1 1 27 27 GLY N N 15 109.919 0.039 . 1 . . 63 . . 732 GLY N . 27110 1
291 . 1 1 28 28 ILE H H 1 7.867 0.002 . 1 . . 28 . . 733 ILE H . 27110 1
292 . 1 1 28 28 ILE HA H 1 4.220 0.006 . 1 . . 255 . . 733 ILE HA . 27110 1
293 . 1 1 28 28 ILE HB H 1 1.883 0.006 . 1 . . 256 . . 733 ILE HB . 27110 1
294 . 1 1 28 28 ILE HG12 H 1 1.416 0.006 . 2 . . 346 . . 733 ILE HG12 . 27110 1
295 . 1 1 28 28 ILE HG13 H 1 1.172 0.003 . 2 . . 347 . . 733 ILE HG13 . 27110 1
296 . 1 1 28 28 ILE HG21 H 1 0.897 0.001 . 1 . . 348 . . 733 ILE HG21 . 27110 1
297 . 1 1 28 28 ILE HG22 H 1 0.897 0.001 . 1 . . 348 . . 733 ILE HG22 . 27110 1
298 . 1 1 28 28 ILE HG23 H 1 0.897 0.001 . 1 . . 348 . . 733 ILE HG23 . 27110 1
299 . 1 1 28 28 ILE HD11 H 1 0.851 . . 1 . . 349 . . 733 ILE HD11 . 27110 1
300 . 1 1 28 28 ILE HD12 H 1 0.851 . . 1 . . 349 . . 733 ILE HD12 . 27110 1
301 . 1 1 28 28 ILE HD13 H 1 0.851 . . 1 . . 349 . . 733 ILE HD13 . 27110 1
302 . 1 1 28 28 ILE C C 13 176.213 . . 1 . . 175 . . 733 ILE C . 27110 1
303 . 1 1 28 28 ILE CA C 13 61.097 0.033 . 1 . . 105 . . 733 ILE CA . 27110 1
304 . 1 1 28 28 ILE CB C 13 38.874 0.045 . 1 . . 106 . . 733 ILE CB . 27110 1
305 . 1 1 28 28 ILE CG1 C 13 27.272 0.044 . 1 . . 343 . . 733 ILE CG1 . 27110 1
306 . 1 1 28 28 ILE CG2 C 13 17.592 0.022 . 1 . . 344 . . 733 ILE CG2 . 27110 1
307 . 1 1 28 28 ILE CD1 C 13 13.032 0.026 . 1 . . 345 . . 733 ILE CD1 . 27110 1
308 . 1 1 28 28 ILE N N 15 119.429 0.058 . 1 . . 29 . . 733 ILE N . 27110 1
309 . 1 1 29 29 GLU H H 1 8.536 0.003 . 1 . . 44 . . 734 GLU H . 27110 1
310 . 1 1 29 29 GLU HA H 1 4.306 0.01 . 1 . . 257 . . 734 GLU HA . 27110 1
311 . 1 1 29 29 GLU HB2 H 1 2.057 0.003 . 2 . . 258 . . 734 GLU HB2 . 27110 1
312 . 1 1 29 29 GLU HB3 H 1 1.945 0.001 . 2 . . 259 . . 734 GLU HB3 . 27110 1
313 . 1 1 29 29 GLU HG2 H 1 2.289 0.006 . 2 . . 456 . . 734 GLU HG2 . 27110 1
314 . 1 1 29 29 GLU HG3 H 1 2.276 0.007 . 2 . . 457 . . 734 GLU HG3 . 27110 1
315 . 1 1 29 29 GLU C C 13 176.383 . . 1 . . 176 . . 734 GLU C . 27110 1
316 . 1 1 29 29 GLU CA C 13 56.695 0.023 . 1 . . 94 . . 734 GLU CA . 27110 1
317 . 1 1 29 29 GLU CB C 13 30.210 0.001 . 1 . . 125 . . 734 GLU CB . 27110 1
318 . 1 1 29 29 GLU CG C 13 36.233 . . 1 . . 506 . . 734 GLU CG . 27110 1
319 . 1 1 29 29 GLU N N 15 124.768 0.028 . 1 . . 45 . . 734 GLU N . 27110 1
320 . 1 1 30 30 GLU H H 1 8.409 0.003 . 1 . . 5 . . 735 GLU H . 27110 1
321 . 1 1 30 30 GLU HA H 1 4.301 0.006 . 1 . . 260 . . 735 GLU HA . 27110 1
322 . 1 1 30 30 GLU HB2 H 1 2.062 0.004 . 2 . . 261 . . 735 GLU HB2 . 27110 1
323 . 1 1 30 30 GLU HB3 H 1 1.944 0.007 . 2 . . 262 . . 735 GLU HB3 . 27110 1
324 . 1 1 30 30 GLU HG2 H 1 2.276 0.002 . 2 . . 458 . . 735 GLU HG2 . 27110 1
325 . 1 1 30 30 GLU HG3 H 1 2.271 0.004 . 2 . . 459 . . 735 GLU HG3 . 27110 1
326 . 1 1 30 30 GLU C C 13 176.485 . . 1 . . 177 . . 735 GLU C . 27110 1
327 . 1 1 30 30 GLU CA C 13 56.675 0.029 . 1 . . 122 . . 735 GLU CA . 27110 1
328 . 1 1 30 30 GLU CB C 13 30.512 0.003 . 1 . . 127 . . 735 GLU CB . 27110 1
329 . 1 1 30 30 GLU CG C 13 36.232 . . 1 . . 507 . . 735 GLU CG . 27110 1
330 . 1 1 30 30 GLU N N 15 122.210 0.02 . 1 . . 6 . . 735 GLU N . 27110 1
331 . 1 1 31 31 GLU H H 1 8.490 0.006 . 1 . . 40 . . 736 GLU H . 27110 1
332 . 1 1 31 31 GLU HA H 1 4.297 0.008 . 1 . . 263 . . 736 GLU HA . 27110 1
333 . 1 1 31 31 GLU HB2 H 1 2.096 0.001 . 2 . . 264 . . 736 GLU HB2 . 27110 1
334 . 1 1 31 31 GLU HB3 H 1 1.988 0.001 . 2 . . 265 . . 736 GLU HB3 . 27110 1
335 . 1 1 31 31 GLU HG2 H 1 2.301 . . 2 . . 460 . . 736 GLU HG2 . 27110 1
336 . 1 1 31 31 GLU HG3 H 1 2.286 . . 2 . . 461 . . 736 GLU HG3 . 27110 1
337 . 1 1 31 31 GLU C C 13 177.098 . . 1 . . 178 . . 736 GLU C . 27110 1
338 . 1 1 31 31 GLU CA C 13 56.933 0.02 . 1 . . 131 . . 736 GLU CA . 27110 1
339 . 1 1 31 31 GLU CB C 13 30.319 0.002 . 1 . . 130 . . 736 GLU CB . 27110 1
340 . 1 1 31 31 GLU CG C 13 36.233 . . 1 . . 508 . . 736 GLU CG . 27110 1
341 . 1 1 31 31 GLU N N 15 122.414 0.019 . 1 . . 41 . . 736 GLU N . 27110 1
342 . 1 1 32 32 GLY H H 1 8.534 0.004 . 1 . . 1 . . 737 GLY H . 27110 1
343 . 1 1 32 32 GLY HA2 H 1 4.007 0.004 . 2 . . 266 . . 737 GLY HA2 . 27110 1
344 . 1 1 32 32 GLY HA3 H 1 3.959 0.013 . 2 . . 267 . . 737 GLY HA3 . 27110 1
345 . 1 1 32 32 GLY C C 13 174.833 . . 1 . . 179 . . 737 GLY C . 27110 1
346 . 1 1 32 32 GLY CA C 13 45.565 0.03 . 1 . . 129 . . 737 GLY CA . 27110 1
347 . 1 1 32 32 GLY N N 15 110.312 0.055 . 1 . . 2 . . 737 GLY N . 27110 1
348 . 1 1 33 33 GLY H H 1 8.303 0.002 . 1 . . 69 . . 738 GLY H . 27110 1
349 . 1 1 33 33 GLY HA2 H 1 4.028 0.002 . 2 . . 268 . . 738 GLY HA2 . 27110 1
350 . 1 1 33 33 GLY HA3 H 1 3.970 0.001 . 2 . . 269 . . 738 GLY HA3 . 27110 1
351 . 1 1 33 33 GLY C C 13 174.421 . . 1 . . 180 . . 738 GLY C . 27110 1
352 . 1 1 33 33 GLY CA C 13 45.365 0.033 . 1 . . 73 . . 738 GLY CA . 27110 1
353 . 1 1 33 33 GLY N N 15 108.814 0.035 . 1 . . 70 . . 738 GLY N . 27110 1
354 . 1 1 34 34 GLU H H 1 8.481 0.002 . 1 . . 38 . . 739 GLU H . 27110 1
355 . 1 1 34 34 GLU HA H 1 4.257 0.005 . 1 . . 270 . . 739 GLU HA . 27110 1
356 . 1 1 34 34 GLU HB2 H 1 2.077 . . 2 . . 271 . . 739 GLU HB2 . 27110 1
357 . 1 1 34 34 GLU HB3 H 1 1.981 0.002 . 2 . . 272 . . 739 GLU HB3 . 27110 1
358 . 1 1 34 34 GLU HG2 H 1 2.297 . . 2 . . 454 . . 739 GLU HG2 . 27110 1
359 . 1 1 34 34 GLU HG3 H 1 2.281 . . 2 . . 455 . . 739 GLU HG3 . 27110 1
360 . 1 1 34 34 GLU C C 13 176.995 . . 1 . . 181 . . 739 GLU C . 27110 1
361 . 1 1 34 34 GLU CA C 13 57.148 0.02 . 1 . . 100 . . 739 GLU CA . 27110 1
362 . 1 1 34 34 GLU CB C 13 29.978 0.052 . 1 . . 99 . . 739 GLU CB . 27110 1
363 . 1 1 34 34 GLU CG C 13 36.242 . . 1 . . 510 . . 739 GLU CG . 27110 1
364 . 1 1 34 34 GLU N N 15 120.810 0.035 . 1 . . 39 . . 739 GLU N . 27110 1
365 . 1 1 35 35 ARG H H 1 8.359 0.003 . 1 . . 3 . . 740 ARG H . 27110 1
366 . 1 1 35 35 ARG HA H 1 4.301 0.007 . 1 . . 273 . . 740 ARG HA . 27110 1
367 . 1 1 35 35 ARG HB2 H 1 1.804 0.001 . 2 . . 274 . . 740 ARG HB2 . 27110 1
368 . 1 1 35 35 ARG HB3 H 1 1.888 0.001 . 2 . . 275 . . 740 ARG HB3 . 27110 1
369 . 1 1 35 35 ARG HG2 H 1 1.642 0.011 . 2 . . 305 . . 740 ARG HG2 . 27110 1
370 . 1 1 35 35 ARG HG3 H 1 1.659 . . 2 . . 491 . . 740 ARG HG3 . 27110 1
371 . 1 1 35 35 ARG HD2 H 1 3.218 . . 2 . . 489 . . 740 ARG HD2 . 27110 1
372 . 1 1 35 35 ARG HD3 H 1 3.210 0.009 . 2 . . 490 . . 740 ARG HD3 . 27110 1
373 . 1 1 35 35 ARG C C 13 176.419 . . 1 . . 182 . . 740 ARG C . 27110 1
374 . 1 1 35 35 ARG CA C 13 56.679 0.019 . 1 . . 123 . . 740 ARG CA . 27110 1
375 . 1 1 35 35 ARG CB C 13 30.697 0.022 . 1 . . 124 . . 740 ARG CB . 27110 1
376 . 1 1 35 35 ARG CG C 13 27.190 0.0 . 1 . . 304 . . 740 ARG CG . 27110 1
377 . 1 1 35 35 ARG CD C 13 43.401 0.014 . 1 . . 303 . . 740 ARG CD . 27110 1
378 . 1 1 35 35 ARG N N 15 121.205 0.029 . 1 . . 4 . . 740 ARG N . 27110 1
379 . 1 1 36 36 ASP H H 1 8.297 0.003 . 1 . . 9 . . 741 ASP H . 27110 1
380 . 1 1 36 36 ASP HA H 1 4.591 0.005 . 1 . . 313 . . 741 ASP HA . 27110 1
381 . 1 1 36 36 ASP HB2 H 1 2.748 . . 2 . . 309 . . 741 ASP HB2 . 27110 1
382 . 1 1 36 36 ASP HB3 H 1 2.645 . . 2 . . 311 . . 741 ASP HB3 . 27110 1
383 . 1 1 36 36 ASP C C 13 176.623 . . 1 . . 502 . . 741 ASP C . 27110 1
384 . 1 1 36 36 ASP CA C 13 54.836 0.012 . 1 . . 119 . . 741 ASP CA . 27110 1
385 . 1 1 36 36 ASP CB C 13 40.951 0.001 . 1 . . 88 . . 741 ASP CB . 27110 1
386 . 1 1 36 36 ASP N N 15 120.368 0.043 . 1 . . 310 . . 741 ASP N . 27110 1
387 . 1 1 37 37 ARG H H 1 8.121 0.008 . 1 . . 50 . . 742 ARG H . 27110 1
388 . 1 1 37 37 ARG HA H 1 4.244 0.008 . 1 . . 276 . . 742 ARG HA . 27110 1
389 . 1 1 37 37 ARG HB2 H 1 1.843 . . 2 . . 464 . . 742 ARG HB2 . 27110 1
390 . 1 1 37 37 ARG HB3 H 1 1.821 . . 2 . . 465 . . 742 ARG HB3 . 27110 1
391 . 1 1 37 37 ARG HG2 H 1 1.636 . . 2 . . 466 . . 742 ARG HG2 . 27110 1
392 . 1 1 37 37 ARG HG3 H 1 1.624 . . 2 . . 467 . . 742 ARG HG3 . 27110 1
393 . 1 1 37 37 ARG HD2 H 1 3.212 . . 2 . . 462 . . 742 ARG HD2 . 27110 1
394 . 1 1 37 37 ARG HD3 H 1 3.208 . . 2 . . 463 . . 742 ARG HD3 . 27110 1
395 . 1 1 37 37 ARG C C 13 176.265 . . 1 . . 240 . . 742 ARG C . 27110 1
396 . 1 1 37 37 ARG CA C 13 56.903 0.015 . 1 . . 192 . . 742 ARG CA . 27110 1
397 . 1 1 37 37 ARG CB C 13 30.721 0.042 . 1 . . 89 . . 742 ARG CB . 27110 1
398 . 1 1 37 37 ARG CG C 13 27.067 . . 1 . . 492 . . 742 ARG CG . 27110 1
399 . 1 1 37 37 ARG CD C 13 43.446 . . 1 . . 493 . . 742 ARG CD . 27110 1
400 . 1 1 37 37 ARG N N 15 120.879 0.027 . 1 . . 51 . . 742 ARG N . 27110 1
401 . 1 1 38 38 ASP H H 1 8.306 0.002 . 1 . . 207 . . 743 ASP H . 27110 1
402 . 1 1 38 38 ASP HA H 1 4.595 0.002 . 1 . . 312 . . 743 ASP HA . 27110 1
403 . 1 1 38 38 ASP HB2 H 1 2.762 0.007 . 2 . . 306 . . 743 ASP HB2 . 27110 1
404 . 1 1 38 38 ASP HB3 H 1 2.678 0.011 . 2 . . 308 . . 743 ASP HB3 . 27110 1
405 . 1 1 38 38 ASP C C 13 176.602 . . 1 . . 241 . . 743 ASP C . 27110 1
406 . 1 1 38 38 ASP CA C 13 54.825 0.031 . 1 . . 209 . . 743 ASP CA . 27110 1
407 . 1 1 38 38 ASP CB C 13 40.966 0.01 . 1 . . 208 . . 743 ASP CB . 27110 1
408 . 1 1 38 38 ASP N N 15 120.368 0.046 . 1 . . 307 . . 743 ASP N . 27110 1
409 . 1 1 39 39 ARG H H 1 8.173 0.003 . 1 . . 16 . . 744 ARG H . 27110 1
410 . 1 1 39 39 ARG HA H 1 4.308 0.008 . 1 . . 277 . . 744 ARG HA . 27110 1
411 . 1 1 39 39 ARG HB2 H 1 1.939 0.004 . 2 . . 278 . . 744 ARG HB2 . 27110 1
412 . 1 1 39 39 ARG HB3 H 1 1.805 0.006 . 2 . . 279 . . 744 ARG HB3 . 27110 1
413 . 1 1 39 39 ARG HG2 H 1 1.675 0.006 . 2 . . 468 . . 744 ARG HG2 . 27110 1
414 . 1 1 39 39 ARG HG3 H 1 1.659 0.007 . 2 . . 469 . . 744 ARG HG3 . 27110 1
415 . 1 1 39 39 ARG HD2 H 1 3.225 . . 2 . . 474 . . 744 ARG HD2 . 27110 1
416 . 1 1 39 39 ARG HD3 H 1 3.223 . . 2 . . 475 . . 744 ARG HD3 . 27110 1
417 . 1 1 39 39 ARG C C 13 176.661 . . 1 . . 183 . . 744 ARG C . 27110 1
418 . 1 1 39 39 ARG CA C 13 56.654 0.015 . 1 . . 132 . . 744 ARG CA . 27110 1
419 . 1 1 39 39 ARG CB C 13 30.475 0.029 . 1 . . 114 . . 744 ARG CB . 27110 1
420 . 1 1 39 39 ARG CG C 13 27.247 . . 1 . . 494 . . 744 ARG CG . 27110 1
421 . 1 1 39 39 ARG CD C 13 43.439 . . 1 . . 495 . . 744 ARG CD . 27110 1
422 . 1 1 39 39 ARG N N 15 121.535 0.039 . 1 . . 17 . . 744 ARG N . 27110 1
423 . 1 1 40 40 SER H H 1 8.331 0.002 . 1 . . 67 . . 745 SER H . 27110 1
424 . 1 1 40 40 SER HA H 1 4.400 0.01 . 1 . . 280 . . 745 SER HA . 27110 1
425 . 1 1 40 40 SER HB2 H 1 3.903 0.007 . 2 . . 281 . . 745 SER HB2 . 27110 1
426 . 1 1 40 40 SER HB3 H 1 3.895 0.004 . 2 . . 282 . . 745 SER HB3 . 27110 1
427 . 1 1 40 40 SER C C 13 174.623 . . 1 . . 184 . . 745 SER C . 27110 1
428 . 1 1 40 40 SER CA C 13 59.193 0.042 . 1 . . 71 . . 745 SER CA . 27110 1
429 . 1 1 40 40 SER CB C 13 63.742 0.003 . 1 . . 78 . . 745 SER CB . 27110 1
430 . 1 1 40 40 SER N N 15 116.324 0.051 . 1 . . 68 . . 745 SER N . 27110 1
431 . 1 1 41 41 ILE H H 1 7.923 0.004 . 1 . . 14 . . 746 ILE H . 27110 1
432 . 1 1 41 41 ILE HA H 1 4.164 0.007 . 1 . . 283 . . 746 ILE HA . 27110 1
433 . 1 1 41 41 ILE HB H 1 1.887 0.008 . 1 . . 284 . . 746 ILE HB . 27110 1
434 . 1 1 41 41 ILE HG12 H 1 1.468 0.003 . 2 . . 350 . . 746 ILE HG12 . 27110 1
435 . 1 1 41 41 ILE HG13 H 1 1.188 0.0 . 2 . . 352 . . 746 ILE HG13 . 27110 1
436 . 1 1 41 41 ILE HG21 H 1 0.894 0.001 . 1 . . 354 . . 746 ILE HG21 . 27110 1
437 . 1 1 41 41 ILE HG22 H 1 0.894 0.001 . 1 . . 354 . . 746 ILE HG22 . 27110 1
438 . 1 1 41 41 ILE HG23 H 1 0.894 0.001 . 1 . . 354 . . 746 ILE HG23 . 27110 1
439 . 1 1 41 41 ILE HD11 H 1 0.862 . . 1 . . 356 . . 746 ILE HD11 . 27110 1
440 . 1 1 41 41 ILE HD12 H 1 0.862 . . 1 . . 356 . . 746 ILE HD12 . 27110 1
441 . 1 1 41 41 ILE HD13 H 1 0.862 . . 1 . . 356 . . 746 ILE HD13 . 27110 1
442 . 1 1 41 41 ILE C C 13 176.058 . . 1 . . 185 . . 746 ILE C . 27110 1
443 . 1 1 41 41 ILE CA C 13 61.415 0.017 . 1 . . 115 . . 746 ILE CA . 27110 1
444 . 1 1 41 41 ILE CB C 13 38.671 0.013 . 1 . . 116 . . 746 ILE CB . 27110 1
445 . 1 1 41 41 ILE CG1 C 13 27.381 0.033 . 1 . . 351 . . 746 ILE CG1 . 27110 1
446 . 1 1 41 41 ILE CG2 C 13 17.434 0.032 . 1 . . 353 . . 746 ILE CG2 . 27110 1
447 . 1 1 41 41 ILE CD1 C 13 12.996 0.006 . 1 . . 355 . . 746 ILE CD1 . 27110 1
448 . 1 1 41 41 ILE N N 15 121.928 0.057 . 1 . . 15 . . 746 ILE N . 27110 1
449 . 1 1 42 42 ARG H H 1 8.228 0.003 . 1 . . 42 . . 747 ARG H . 27110 1
450 . 1 1 42 42 ARG HA H 1 4.347 0.01 . 1 . . 285 . . 747 ARG HA . 27110 1
451 . 1 1 42 42 ARG HB2 H 1 1.836 0.001 . 2 . . 286 . . 747 ARG HB2 . 27110 1
452 . 1 1 42 42 ARG HB3 H 1 1.763 0.001 . 2 . . 287 . . 747 ARG HB3 . 27110 1
453 . 1 1 42 42 ARG HG2 H 1 1.587 0.001 . 2 . . 476 . . 747 ARG HG2 . 27110 1
454 . 1 1 42 42 ARG HG3 H 1 1.592 0.004 . 2 . . 501 . . 747 ARG HG3 . 27110 1
455 . 1 1 42 42 ARG HD2 H 1 3.201 0.006 . 2 . . 357 . . 747 ARG HD2 . 27110 1
456 . 1 1 42 42 ARG HD3 H 1 3.201 0.006 . 2 . . 497 . . 747 ARG HD3 . 27110 1
457 . 1 1 42 42 ARG C C 13 175.959 . . 1 . . 186 . . 747 ARG C . 27110 1
458 . 1 1 42 42 ARG CA C 13 56.052 0.054 . 1 . . 96 . . 747 ARG CA . 27110 1
459 . 1 1 42 42 ARG CB C 13 30.884 0.018 . 1 . . 95 . . 747 ARG CB . 27110 1
460 . 1 1 42 42 ARG CG C 13 27.244 0.021 . 1 . . 500 . . 747 ARG CG . 27110 1
461 . 1 1 42 42 ARG CD C 13 43.433 0.005 . 1 . . 499 . . 747 ARG CD . 27110 1
462 . 1 1 42 42 ARG N N 15 124.684 0.033 . 1 . . 43 . . 747 ARG N . 27110 1
463 . 1 1 43 43 LEU H H 1 8.248 0.004 . 1 . . 46 . . 748 LEU H . 27110 1
464 . 1 1 43 43 LEU HA H 1 4.390 0.007 . 1 . . 288 . . 748 LEU HA . 27110 1
465 . 1 1 43 43 LEU HB2 H 1 1.590 0.01 . 2 . . 375 . . 748 LEU HB2 . 27110 1
466 . 1 1 43 43 LEU HB3 H 1 1.659 0.008 . 2 . . 376 . . 748 LEU HB3 . 27110 1
467 . 1 1 43 43 LEU HG H 1 1.600 . . 1 . . 378 . . 748 LEU HG . 27110 1
468 . 1 1 43 43 LEU HD11 H 1 0.918 . . 2 . . 379 . . 748 LEU HD11 . 27110 1
469 . 1 1 43 43 LEU HD12 H 1 0.918 . . 2 . . 379 . . 748 LEU HD12 . 27110 1
470 . 1 1 43 43 LEU HD13 H 1 0.918 . . 2 . . 379 . . 748 LEU HD13 . 27110 1
471 . 1 1 43 43 LEU HD21 H 1 0.862 . . 2 . . 381 . . 748 LEU HD21 . 27110 1
472 . 1 1 43 43 LEU HD22 H 1 0.862 . . 2 . . 381 . . 748 LEU HD22 . 27110 1
473 . 1 1 43 43 LEU HD23 H 1 0.862 . . 2 . . 381 . . 748 LEU HD23 . 27110 1
474 . 1 1 43 43 LEU C C 13 177.215 . . 1 . . 188 . . 748 LEU C . 27110 1
475 . 1 1 43 43 LEU CA C 13 55.186 0.009 . 1 . . 93 . . 748 LEU CA . 27110 1
476 . 1 1 43 43 LEU CB C 13 42.288 0.022 . 1 . . 92 . . 748 LEU CB . 27110 1
477 . 1 1 43 43 LEU CG C 13 27.078 0.024 . 1 . . 377 . . 748 LEU CG . 27110 1
478 . 1 1 43 43 LEU CD1 C 13 24.938 0.006 . 2 . . 374 . . 748 LEU CD1 . 27110 1
479 . 1 1 43 43 LEU CD2 C 13 23.513 0.003 . 2 . . 380 . . 748 LEU CD2 . 27110 1
480 . 1 1 43 43 LEU N N 15 123.939 0.032 . 1 . . 47 . . 748 LEU N . 27110 1
481 . 1 1 44 44 VAL H H 1 8.050 0.002 . 1 . . 134 . . 749 VAL H . 27110 1
482 . 1 1 44 44 VAL HA H 1 4.113 0.007 . 1 . . 294 . . 749 VAL HA . 27110 1
483 . 1 1 44 44 VAL HB H 1 2.095 . . 1 . . 295 . . 749 VAL HB . 27110 1
484 . 1 1 44 44 VAL HG11 H 1 0.945 . . 2 . . 446 . . 749 VAL HG11 . 27110 1
485 . 1 1 44 44 VAL HG12 H 1 0.945 . . 2 . . 446 . . 749 VAL HG12 . 27110 1
486 . 1 1 44 44 VAL HG13 H 1 0.945 . . 2 . . 446 . . 749 VAL HG13 . 27110 1
487 . 1 1 44 44 VAL HG21 H 1 0.946 . . 2 . . 447 . . 749 VAL HG21 . 27110 1
488 . 1 1 44 44 VAL HG22 H 1 0.946 . . 2 . . 447 . . 749 VAL HG22 . 27110 1
489 . 1 1 44 44 VAL HG23 H 1 0.946 . . 2 . . 447 . . 749 VAL HG23 . 27110 1
490 . 1 1 44 44 VAL C C 13 175.853 . . 1 . . 189 . . 749 VAL C . 27110 1
491 . 1 1 44 44 VAL CA C 13 62.485 0.029 . 1 . . 135 . . 749 VAL CA . 27110 1
492 . 1 1 44 44 VAL CB C 13 32.807 0.008 . 1 . . 136 . . 749 VAL CB . 27110 1
493 . 1 1 44 44 VAL CG1 C 13 21.144 . . 2 . . 444 . . 749 VAL CG1 . 27110 1
494 . 1 1 44 44 VAL CG2 C 13 20.540 . . 2 . . 445 . . 749 VAL CG2 . 27110 1
495 . 1 1 44 44 VAL N N 15 120.587 0.042 . 1 . . 133 . . 749 VAL N . 27110 1
496 . 1 1 45 45 ASN H H 1 8.458 0.002 . 1 . . 18 . . 750 ASN H . 27110 1
497 . 1 1 45 45 ASN HA H 1 4.768 0.001 . 1 . . 291 . . 750 ASN HA . 27110 1
498 . 1 1 45 45 ASN HB2 H 1 2.864 . . 2 . . 292 . . 750 ASN HB2 . 27110 1
499 . 1 1 45 45 ASN HB3 H 1 2.757 . . 2 . . 293 . . 750 ASN HB3 . 27110 1
500 . 1 1 45 45 ASN HD21 H 1 6.858 . . 1 . . 12 . . 750 ASN HD21 . 27110 1
501 . 1 1 45 45 ASN HD22 H 1 7.591 0.003 . 1 . . 64 . . 750 ASN HD22 . 27110 1
502 . 1 1 45 45 ASN C C 13 174.434 . . 1 . . 190 . . 750 ASN C . 27110 1
503 . 1 1 45 45 ASN CA C 13 53.351 0.03 . 1 . . 112 . . 750 ASN CA . 27110 1
504 . 1 1 45 45 ASN CB C 13 39.285 0.038 . 1 . . 113 . . 750 ASN CB . 27110 1
505 . 1 1 45 45 ASN N N 15 122.146 0.041 . 1 . . 19 . . 750 ASN N . 27110 1
506 . 1 1 45 45 ASN ND2 N 15 112.867 0.029 . 1 . . 13 . . 750 ASN ND2 . 27110 1
507 . 1 1 46 46 GLY H H 1 7.857 0.006 . 1 . . 34 . . 751 GLY H . 27110 1
508 . 1 1 46 46 GLY HA2 H 1 3.794 0.007 . 2 . . 289 . . 751 GLY HA2 . 27110 1
509 . 1 1 46 46 GLY HA3 H 1 3.728 0.001 . 2 . . 290 . . 751 GLY HA3 . 27110 1
510 . 1 1 46 46 GLY CA C 13 46.357 0.036 . 1 . . 77 . . 751 GLY CA . 27110 1
511 . 1 1 46 46 GLY N N 15 115.436 0.041 . 1 . . 35 . . 751 GLY N . 27110 1
stop_
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