Content for NMR-STAR saveframe, "6_m_urea_chemical_shifts"

    save_6_m_urea_chemical_shifts
   _Assigned_chem_shift_list.Sf_category                   assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                  6_m_urea_chemical_shifts
   _Assigned_chem_shift_list.Entry_ID                      17513
   _Assigned_chem_shift_list.ID                            2
   _Assigned_chem_shift_list.Sample_condition_list_ID      2
   _Assigned_chem_shift_list.Sample_condition_list_label  $sample_conditions_urea
   _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

      10 '2D 1H-15N HSQC' 1 $0.5mM isotropic 17513 2 
      11 '3D HNCA'        2 $urea  isotropic 17513 2 
      12 '3D HNCO'        1 $0.5mM isotropic 17513 2 
      13 '3D HNCACO'      1 $0.5mM isotropic 17513 2 
      14 '3D CBCA(CO)NH'  1 $0.5mM isotropic 17513 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.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  9  9 GLU C  C 13 176.217  .    . 1 . 575 . .  9 GLU C  . 17513 2 
        2 . 1 1  9  9 GLU CA C 13  56.283  .    . 1 . 573 . .  9 GLU CA . 17513 2 
        3 . 1 1  9  9 GLU CB C 13  30.468  .    . 1 . 574 . .  9 GLU CB . 17513 2 
        4 . 1 1 10 10 LEU H  H  1   8.560 0.002 . 1 .  25 . . 10 LEU H  . 17513 2 
        5 . 1 1 10 10 LEU C  C 13 177.321 0.002 . 1 . 480 . . 10 LEU C  . 17513 2 
        6 . 1 1 10 10 LEU CA C 13  54.984 0.003 . 1 . 481 . . 10 LEU CA . 17513 2 
        7 . 1 1 10 10 LEU CB C 13  42.196 0.004 . 1 . 482 . . 10 LEU CB . 17513 2 
        8 . 1 1 10 10 LEU N  N 15 124.530 0.054 . 1 .  26 . . 10 LEU N  . 17513 2 
        9 . 1 1 11 11 LYS H  H  1   8.610 0.004 . 1 . 478 . . 11 LYS H  . 17513 2 
       10 . 1 1 11 11 LYS C  C 13 176.366 0.001 . 1 . 428 . . 11 LYS C  . 17513 2 
       11 . 1 1 11 11 LYS CA C 13  56.310 0.023 . 1 . 429 . . 11 LYS CA . 17513 2 
       12 . 1 1 11 11 LYS CB C 13  33.179 0.06  . 1 . 564 . . 11 LYS CB . 17513 2 
       13 . 1 1 11 11 LYS N  N 15 123.132 0.048 . 1 . 479 . . 11 LYS N  . 17513 2 
       14 . 1 1 12 12 ASN H  H  1   8.674 0.004 . 1 . 105 . . 12 ASN H  . 17513 2 
       15 . 1 1 12 12 ASN C  C 13 175.214 0.001 . 1 . 378 . . 12 ASN C  . 17513 2 
       16 . 1 1 12 12 ASN CA C 13  53.141 0.053 . 1 . 376 . . 12 ASN CA . 17513 2 
       17 . 1 1 12 12 ASN CB C 13  38.982 0.025 . 1 . 373 . . 12 ASN CB . 17513 2 
       18 . 1 1 12 12 ASN N  N 15 120.453 0.052 . 1 . 106 . . 12 ASN N  . 17513 2 
       19 . 1 1 13 13 SER H  H  1   8.466 0.001 . 1 . 123 . . 13 SER H  . 17513 2 
       20 . 1 1 13 13 SER C  C 13 174.511 0.005 . 1 . 273 . . 13 SER C  . 17513 2 
       21 . 1 1 13 13 SER CA C 13  58.271 0.024 . 1 . 272 . . 13 SER CA . 17513 2 
       22 . 1 1 13 13 SER CB C 13  63.827 0.021 . 1 . 275 . . 13 SER CB . 17513 2 
       23 . 1 1 13 13 SER N  N 15 116.681 0.041 . 1 . 124 . . 13 SER N  . 17513 2 
       24 . 1 1 14 14 ILE H  H  1   8.363 0.004 . 1 . 379 . . 14 ILE H  . 17513 2 
       25 . 1 1 14 14 ILE C  C 13 176.305 0.044 . 1 . 387 . . 14 ILE C  . 17513 2 
       26 . 1 1 14 14 ILE CA C 13  61.244 0.009 . 1 . 391 . . 14 ILE CA . 17513 2 
       27 . 1 1 14 14 ILE CB C 13  38.828 0.024 . 1 . 381 . . 14 ILE CB . 17513 2 
       28 . 1 1 14 14 ILE N  N 15 122.664 0.045 . 1 . 380 . . 14 ILE N  . 17513 2 
       29 . 1 1 15 15 SER H  H  1   8.426 0.022 . 1 .  56 . . 15 SER H  . 17513 2 
       30 . 1 1 15 15 SER C  C 13 174.095  .    . 1 . 388 . . 15 SER C  . 17513 2 
       31 . 1 1 15 15 SER CA C 13  58.286 0.003 . 1 . 390 . . 15 SER CA . 17513 2 
       32 . 1 1 15 15 SER CB C 13  63.863 0.023 . 1 . 389 . . 15 SER CB . 17513 2 
       33 . 1 1 15 15 SER N  N 15 119.942 0.943 . 1 .  57 . . 15 SER N  . 17513 2 
       34 . 1 1 16 16 ASP H  H  1   8.402 0.003 . 1 . 392 . . 16 ASP H  . 17513 2 
       35 . 1 1 16 16 ASP C  C 13 175.840 0.008 . 1 . 347 . . 16 ASP C  . 17513 2 
       36 . 1 1 16 16 ASP CA C 13  54.318 0.015 . 1 . 345 . . 16 ASP CA . 17513 2 
       37 . 1 1 16 16 ASP CB C 13  41.151 0.023 . 1 . 350 . . 16 ASP CB . 17513 2 
       38 . 1 1 16 16 ASP N  N 15 122.771 0.046 . 1 . 393 . . 16 ASP N  . 17513 2 
       39 . 1 1 17 17 TYR H  H  1   8.238 0.003 . 1 . 395 . . 17 TYR H  . 17513 2 
       40 . 1 1 17 17 TYR C  C 13 175.869 0.019 . 1 . 398 . . 17 TYR C  . 17513 2 
       41 . 1 1 17 17 TYR CA C 13  58.083 0.027 . 1 . 394 . . 17 TYR CA . 17513 2 
       42 . 1 1 17 17 TYR CB C 13  38.709 0.037 . 1 . 397 . . 17 TYR CB . 17513 2 
       43 . 1 1 17 17 TYR N  N 15 120.918 0.087 . 1 . 396 . . 17 TYR N  . 17513 2 
       44 . 1 1 18 18 THR H  H  1   8.180 0.001 . 1 . 121 . . 18 THR H  . 17513 2 
       45 . 1 1 18 18 THR C  C 13 174.154 0.008 . 1 . 344 . . 18 THR C  . 17513 2 
       46 . 1 1 18 18 THR CA C 13  61.778 0.014 . 1 . 341 . . 18 THR CA . 17513 2 
       47 . 1 1 18 18 THR CB C 13  69.994 0.052 . 1 . 342 . . 18 THR CB . 17513 2 
       48 . 1 1 18 18 THR N  N 15 117.187 0.038 . 1 . 122 . . 18 THR N  . 17513 2 
       49 . 1 1 19 19 GLU H  H  1   8.451 0.001 . 1 . 339 . . 19 GLU H  . 17513 2 
       50 . 1 1 19 19 GLU C  C 13 176.195 0.002 . 1 . 343 . . 19 GLU C  . 17513 2 
       51 . 1 1 19 19 GLU CA C 13  56.506 0.0   . 1 . 338 . . 19 GLU CA . 17513 2 
       52 . 1 1 19 19 GLU CB C 13  30.306  .    . 1 . 587 . . 19 GLU CB . 17513 2 
       53 . 1 1 19 19 GLU N  N 15 123.709 0.041 . 1 . 340 . . 19 GLU N  . 17513 2 
       54 . 1 1 20 20 ALA H  H  1   8.375 0.001 . 1 .  21 . . 20 ALA H  . 17513 2 
       55 . 1 1 20 20 ALA C  C 13 177.680 0.004 . 1 . 336 . . 20 ALA C  . 17513 2 
       56 . 1 1 20 20 ALA CA C 13  52.710 0.004 . 1 . 333 . . 20 ALA CA . 17513 2 
       57 . 1 1 20 20 ALA CB C 13  19.273 0.016 . 1 . 331 . . 20 ALA CB . 17513 2 
       58 . 1 1 20 20 ALA N  N 15 125.105 0.036 . 1 .  22 . . 20 ALA N  . 17513 2 
       59 . 1 1 21 21 GLU H  H  1   8.420 0.001 . 1 . 109 . . 21 GLU H  . 17513 2 
       60 . 1 1 21 21 GLU C  C 13 176.184 0.002 . 1 . 335 . . 21 GLU C  . 17513 2 
       61 . 1 1 21 21 GLU CA C 13  56.726 0.011 . 1 . 334 . . 21 GLU CA . 17513 2 
       62 . 1 1 21 21 GLU CB C 13  30.425 0.005 . 1 . 332 . . 21 GLU CB . 17513 2 
       63 . 1 1 21 21 GLU N  N 15 120.243 0.043 . 1 . 110 . . 21 GLU N  . 17513 2 
       64 . 1 1 22 22 PHE H  H  1   8.353 0.002 . 1 .  71 . . 22 PHE H  . 17513 2 
       65 . 1 1 22 22 PHE C  C 13 175.396 0.002 . 1 . 351 . . 22 PHE C  . 17513 2 
       66 . 1 1 22 22 PHE CA C 13  57.706  .    . 1 . 534 . . 22 PHE CA . 17513 2 
       67 . 1 1 22 22 PHE CB C 13  39.614  .    . 1 . 567 . . 22 PHE CB . 17513 2 
       68 . 1 1 22 22 PHE N  N 15 121.780 0.047 . 1 .  72 . . 22 PHE N  . 17513 2 
       69 . 1 1 23 23 VAL H  H  1   8.156 0.006 . 1 .  27 . . 23 VAL H  . 17513 2 
       70 . 1 1 23 23 VAL C  C 13 175.667  .    . 1 . 571 . . 23 VAL C  . 17513 2 
       71 . 1 1 23 23 VAL CA C 13  62.163  .    . 1 . 570 . . 23 VAL CA . 17513 2 
       72 . 1 1 23 23 VAL CB C 13  32.894  .    . 1 . 566 . . 23 VAL CB . 17513 2 
       73 . 1 1 23 23 VAL N  N 15 124.088 0.12  . 1 .  28 . . 23 VAL N  . 17513 2 
       74 . 1 1 24 24 GLN H  H  1   8.493 0.001 . 1 .  19 . . 24 GLN H  . 17513 2 
       75 . 1 1 24 24 GLN C  C 13 175.577 0.005 . 1 . 357 . . 24 GLN C  . 17513 2 
       76 . 1 1 24 24 GLN CA C 13  55.691 0.023 . 1 . 358 . . 24 GLN CA . 17513 2 
       77 . 1 1 24 24 GLN CB C 13  29.496 0.054 . 1 . 359 . . 24 GLN CB . 17513 2 
       78 . 1 1 24 24 GLN N  N 15 125.191 0.046 . 1 .  20 . . 24 GLN N  . 17513 2 
       79 . 1 1 25 25 ALA H  H  1   8.510 0.001 . 1 .   9 . . 25 ALA H  . 17513 2 
       80 . 1 1 25 25 ALA C  C 13 177.417 0.003 . 1 . 330 . . 25 ALA C  . 17513 2 
       81 . 1 1 25 25 ALA CA C 13  52.341 0.036 . 1 . 326 . . 25 ALA CA . 17513 2 
       82 . 1 1 25 25 ALA CB C 13  19.264  .    . 1 . 327 . . 25 ALA CB . 17513 2 
       83 . 1 1 25 25 ALA N  N 15 126.507 0.045 . 1 .  10 . . 25 ALA N  . 17513 2 
       84 . 1 1 26 26 ALA H  H  1   8.415 0.008 . 1 . 360 . . 26 ALA H  . 17513 2 
       85 . 1 1 26 26 ALA C  C 13 177.812 0.0   . 1 . 362 . . 26 ALA C  . 17513 2 
       86 . 1 1 26 26 ALA CA C 13  52.343 0.042 . 1 . 367 . . 26 ALA CA . 17513 2 
       87 . 1 1 26 26 ALA CB C 13  19.214 0.065 . 1 . 363 . . 26 ALA CB . 17513 2 
       88 . 1 1 26 26 ALA N  N 15 123.909 0.15  . 1 . 361 . . 26 ALA N  . 17513 2 
       89 . 1 1 27 27 LYS H  H  1   8.430 0.003 . 1 . 364 . . 27 LYS H  . 17513 2 
       90 . 1 1 27 27 LYS C  C 13 176.654 0.006 . 1 . 369 . . 27 LYS C  . 17513 2 
       91 . 1 1 27 27 LYS CA C 13  56.356 0.112 . 1 . 368 . . 27 LYS CA . 17513 2 
       92 . 1 1 27 27 LYS CB C 13  33.255 0.106 . 1 . 366 . . 27 LYS CB . 17513 2 
       93 . 1 1 27 27 LYS N  N 15 121.358 0.037 . 1 . 365 . . 27 LYS N  . 17513 2 
       94 . 1 1 28 28 GLU H  H  1   8.589 0.005 . 1 . 546 . . 28 GLU H  . 17513 2 
       95 . 1 1 28 28 GLU C  C 13 176.428 0.002 . 1 . 548 . . 28 GLU C  . 17513 2 
       96 . 1 1 28 28 GLU CA C 13  56.332 0.065 . 1 . 550 . . 28 GLU CA . 17513 2 
       97 . 1 1 28 28 GLU CB C 13  30.425 0.049 . 1 . 551 . . 28 GLU CB . 17513 2 
       98 . 1 1 28 28 GLU N  N 15 122.961 0.118 . 1 . 547 . . 28 GLU N  . 17513 2 
       99 . 1 1 29 29 ILE H  H  1   8.353 0.002 . 1 . 487 . . 29 ILE H  . 17513 2 
      100 . 1 1 29 29 ILE C  C 13 176.237 0.025 . 1 . 552 . . 29 ILE C  . 17513 2 
      101 . 1 1 29 29 ILE CA C 13  61.091  .    . 1 . 588 . . 29 ILE CA . 17513 2 
      102 . 1 1 29 29 ILE CB C 13  38.815 0.028 . 1 . 558 . . 29 ILE CB . 17513 2 
      103 . 1 1 29 29 ILE N  N 15 122.634 0.051 . 1 . 488 . . 29 ILE N  . 17513 2 
      104 . 1 1 30 30 GLU H  H  1   8.624 0.001 . 1 .  13 . . 30 GLU H  . 17513 2 
      105 . 1 1 30 30 GLU C  C 13 176.402 0.005 . 1 . 232 . . 30 GLU C  . 17513 2 
      106 . 1 1 30 30 GLU CA C 13  56.519  .    . 1 . 231 . . 30 GLU CA . 17513 2 
      107 . 1 1 30 30 GLU CB C 13  30.256 0.022 . 1 . 230 . . 30 GLU CB . 17513 2 
      108 . 1 1 30 30 GLU N  N 15 125.833 0.042 . 1 .  14 . . 30 GLU N  . 17513 2 
      109 . 1 1 31 31 LYS H  H  1   8.508 0.002 . 1 .  41 . . 31 LYS H  . 17513 2 
      110 . 1 1 31 31 LYS C  C 13 176.504 0.028 . 1 . 234 . . 31 LYS C  . 17513 2 
      111 . 1 1 31 31 LYS CA C 13  56.501  .    . 1 . 444 . . 31 LYS CA . 17513 2 
      112 . 1 1 31 31 LYS CB C 13  33.332 0.021 . 1 . 233 . . 31 LYS CB . 17513 2 
      113 . 1 1 31 31 LYS N  N 15 123.361 0.038 . 1 .  42 . . 31 LYS N  . 17513 2 
      114 . 1 1 32 32 GLU H  H  1   8.631 0.002 . 1 . 440 . . 32 GLU H  . 17513 2 
      115 . 1 1 32 32 GLU C  C 13 176.171 0.005 . 1 . 446 . . 32 GLU C  . 17513 2 
      116 . 1 1 32 32 GLU CA C 13  56.501  .    . 1 . 445 . . 32 GLU CA . 17513 2 
      117 . 1 1 32 32 GLU CB C 13  30.445 0.046 . 1 . 576 . . 32 GLU CB . 17513 2 
      118 . 1 1 32 32 GLU N  N 15 122.322 0.061 . 1 . 443 . . 32 GLU N  . 17513 2 
      119 . 1 1 33 33 ASN H  H  1   8.708 0.016 . 1 . 430 . . 33 ASN H  . 17513 2 
      120 . 1 1 33 33 ASN C  C 13 175.628 0.548 . 1 . 251 . . 33 ASN C  . 17513 2 
      121 . 1 1 33 33 ASN CA C 13  53.086 0.041 . 1 . 250 . . 33 ASN CA . 17513 2 
      122 . 1 1 33 33 ASN CB C 13  38.757 0.049 . 1 . 253 . . 33 ASN CB . 17513 2 
      123 . 1 1 33 33 ASN N  N 15 121.372 0.856 . 1 . 295 . . 33 ASN N  . 17513 2 
      124 . 1 1 34 34 VAL H  H  1   8.223 0.002 . 1 .  91 . . 34 VAL H  . 17513 2 
      125 . 1 1 34 34 VAL C  C 13 175.719  .    . 1 . 585 . . 34 VAL C  . 17513 2 
      126 . 1 1 34 34 VAL CA C 13  62.046 0.006 . 1 . 157 . . 34 VAL CA . 17513 2 
      127 . 1 1 34 34 VAL CB C 13  32.894 0.0   . 1 . 160 . . 34 VAL CB . 17513 2 
      128 . 1 1 34 34 VAL N  N 15 121.134 0.045 . 1 .  92 . . 34 VAL N  . 17513 2 
      129 . 1 1 35 35 ALA H  H  1   8.481 0.001 . 1 .   3 . . 35 ALA H  . 17513 2 
      130 . 1 1 35 35 ALA C  C 13 177.422 0.001 . 1 . 161 . . 35 ALA C  . 17513 2 
      131 . 1 1 35 35 ALA CA C 13  52.281  .    . 1 . 159 . . 35 ALA CA . 17513 2 
      132 . 1 1 35 35 ALA CB C 13  19.286 0.026 . 1 . 158 . . 35 ALA CB . 17513 2 
      133 . 1 1 35 35 ALA N  N 15 128.038 0.049 . 1 .   4 . . 35 ALA N  . 17513 2 
      134 . 1 1 36 36 ALA H  H  1   8.432 0.004 . 1 .  29 . . 36 ALA H  . 17513 2 
      135 . 1 1 36 36 ALA C  C 13 177.965 0.004 . 1 . 164 . . 36 ALA C  . 17513 2 
      136 . 1 1 36 36 ALA CA C 13  52.491  .    . 1 . 166 . . 36 ALA CA . 17513 2 
      137 . 1 1 36 36 ALA CB C 13  19.221 0.04  . 1 . 165 . . 36 ALA CB . 17513 2 
      138 . 1 1 36 36 ALA N  N 15 124.211 0.032 . 1 .  30 . . 36 ALA N  . 17513 2 
      139 . 1 1 37 37 THR H  H  1   8.203 0.001 . 1 . 137 . . 37 THR H  . 17513 2 
      140 . 1 1 37 37 THR C  C 13 174.370 0.007 . 1 . 169 . . 37 THR C  . 17513 2 
      141 . 1 1 37 37 THR CA C 13  61.444 0.01  . 1 . 167 . . 37 THR CA . 17513 2 
      142 . 1 1 37 37 THR CB C 13  69.822 0.049 . 1 . 168 . . 37 THR CB . 17513 2 
      143 . 1 1 37 37 THR N  N 15 112.705 0.042 . 1 . 138 . . 37 THR N  . 17513 2 
      144 . 1 1 38 38 ASP H  H  1   8.428 0.001 . 1 .  65 . . 38 ASP H  . 17513 2 
      145 . 1 1 38 38 ASP C  C 13 175.869 0.005 . 1 . 435 . . 38 ASP C  . 17513 2 
      146 . 1 1 38 38 ASP CA C 13  54.351 0.025 . 1 . 170 . . 38 ASP CA . 17513 2 
      147 . 1 1 38 38 ASP CB C 13  41.216  .    . 1 . 171 . . 38 ASP CB . 17513 2 
      148 . 1 1 38 38 ASP N  N 15 122.227 0.041 . 1 . 508 . . 38 ASP N  . 17513 2 
      149 . 1 1 39 39 ASP H  H  1   8.377 0.002 . 1 .  95 . . 39 ASP H  . 17513 2 
      150 . 1 1 39 39 ASP C  C 13 176.139 0.002 . 1 . 238 . . 39 ASP C  . 17513 2 
      151 . 1 1 39 39 ASP CA C 13  54.384 0.008 . 1 . 239 . . 39 ASP CA . 17513 2 
      152 . 1 1 39 39 ASP CB C 13  41.173 0.025 . 1 . 241 . . 39 ASP CB . 17513 2 
      153 . 1 1 39 39 ASP N  N 15 121.017 0.038 . 1 .  96 . . 39 ASP N  . 17513 2 
      154 . 1 1 40 40 VAL H  H  1   8.166 0.001 . 1 . 103 . . 40 VAL H  . 17513 2 
      155 . 1 1 40 40 VAL C  C 13 176.090 0.01  . 1 . 243 . . 40 VAL C  . 17513 2 
      156 . 1 1 40 40 VAL CA C 13  62.302 0.073 . 1 . 240 . . 40 VAL CA . 17513 2 
      157 . 1 1 40 40 VAL CB C 13  32.631 0.044 . 1 . 242 . . 40 VAL CB . 17513 2 
      158 . 1 1 40 40 VAL N  N 15 120.512 0.039 . 1 . 104 . . 40 VAL N  . 17513 2 
      159 . 1 1 41 41 LEU H  H  1   8.406 0.003 . 1 .  11 . . 41 LEU H  . 17513 2 
      160 . 1 1 41 41 LEU C  C 13 176.962 0.006 . 1 . 246 . . 41 LEU C  . 17513 2 
      161 . 1 1 41 41 LEU CA C 13  54.919 0.042 . 1 . 245 . . 41 LEU CA . 17513 2 
      162 . 1 1 41 41 LEU CB C 13  42.411 0.038 . 1 . 244 . . 41 LEU CB . 17513 2 
      163 . 1 1 41 41 LEU N  N 15 125.959 0.05  . 1 .  12 . . 41 LEU N  . 17513 2 
      164 . 1 1 42 42 ASP H  H  1   8.469 0.001 . 1 .  63 . . 42 ASP H  . 17513 2 
      165 . 1 1 42 42 ASP C  C 13 176.247 0.01  . 1 . 249 . . 42 ASP C  . 17513 2 
      166 . 1 1 42 42 ASP CA C 13  54.212 0.033 . 1 . 248 . . 42 ASP CA . 17513 2 
      167 . 1 1 42 42 ASP CB C 13  41.092 0.007 . 1 . 247 . . 42 ASP CB . 17513 2 
      168 . 1 1 42 42 ASP N  N 15 122.300 0.046 . 1 .  64 . . 42 ASP N  . 17513 2 
      169 . 1 1 43 43 VAL H  H  1   8.109 0.001 . 1 .  99 . . 43 VAL H  . 17513 2 
      170 . 1 1 43 43 VAL C  C 13 175.829 0.002 . 1 . 305 . . 43 VAL C  . 17513 2 
      171 . 1 1 43 43 VAL CA C 13  62.180 0.027 . 1 . 304 . . 43 VAL CA . 17513 2 
      172 . 1 1 43 43 VAL CB C 13  32.825 0.037 . 1 . 302 . . 43 VAL CB . 17513 2 
      173 . 1 1 43 43 VAL N  N 15 120.579 0.042 . 1 . 100 . . 43 VAL N  . 17513 2 
      174 . 1 1 44 44 ALA H  H  1   8.440 0.001 . 1 .   5 . . 44 ALA H  . 17513 2 
      175 . 1 1 44 44 ALA C  C 13 177.737 0.012 . 1 . 306 . . 44 ALA C  . 17513 2 
      176 . 1 1 44 44 ALA CA C 13  52.462 0.0   . 1 . 303 . . 44 ALA CA . 17513 2 
      177 . 1 1 44 44 ALA CB C 13  19.064 0.001 . 1 . 301 . . 44 ALA CB . 17513 2 
      178 . 1 1 44 44 ALA N  N 15 127.220 0.051 . 1 .   6 . . 44 ALA N  . 17513 2 
      179 . 1 1 45 45 LEU H  H  1   8.210 0.001 . 1 .  73 . . 45 LEU H  . 17513 2 
      180 . 1 1 45 45 LEU C  C 13 177.427 0.002 . 1 . 312 . . 45 LEU C  . 17513 2 
      181 . 1 1 45 45 LEU CA C 13  55.070 0.031 . 1 . 310 . . 45 LEU CA . 17513 2 
      182 . 1 1 45 45 LEU CB C 13  42.313 0.026 . 1 . 311 . . 45 LEU CB . 17513 2 
      183 . 1 1 45 45 LEU N  N 15 121.698 0.043 . 1 .  74 . . 45 LEU N  . 17513 2 
      184 . 1 1 46 46 GLU H  H  1   8.444 0.003 . 1 .  77 . . 46 GLU H  . 17513 2 
      185 . 1 1 46 46 GLU C  C 13 176.098 0.003 . 1 . 313 . . 46 GLU C  . 17513 2 
      186 . 1 1 46 46 GLU CA C 13  56.532  .    . 1 . 315 . . 46 GLU CA . 17513 2 
      187 . 1 1 46 46 GLU CB C 13  30.337 0.019 . 1 . 314 . . 46 GLU CB . 17513 2 
      188 . 1 1 46 46 GLU N  N 15 121.472 0.043 . 1 .  78 . . 46 GLU N  . 17513 2 
      189 . 1 1 47 47 HIS H  H  1   8.506 0.001 . 1 . 111 . . 47 HIS H  . 17513 2 
      190 . 1 1 47 47 HIS C  C 13 174.195 0.009 . 1 . 318 . . 47 HIS C  . 17513 2 
      191 . 1 1 47 47 HIS CA C 13  55.415 0.004 . 1 . 316 . . 47 HIS CA . 17513 2 
      192 . 1 1 47 47 HIS CB C 13  29.854 0.097 . 1 . 317 . . 47 HIS CB . 17513 2 
      193 . 1 1 47 47 HIS N  N 15 120.018 0.042 . 1 . 112 . . 47 HIS N  . 17513 2 
      194 . 1 1 48 48 PHE H  H  1   8.391 0.003 . 1 . 319 . . 48 PHE H  . 17513 2 
      195 . 1 1 48 48 PHE C  C 13 175.247 0.005 . 1 . 276 . . 48 PHE C  . 17513 2 
      196 . 1 1 48 48 PHE CA C 13  57.616 0.007 . 1 . 321 . . 48 PHE CA . 17513 2 
      197 . 1 1 48 48 PHE CB C 13  39.802  .    . 1 . 323 . . 48 PHE CB . 17513 2 
      198 . 1 1 48 48 PHE N  N 15 122.495 0.046 . 1 . 320 . . 48 PHE N  . 17513 2 
      199 . 1 1 49 49 VAL H  H  1   8.286 0.001 . 1 .  33 . . 49 VAL H  . 17513 2 
      200 . 1 1 49 49 VAL C  C 13 175.317 0.018 . 1 . 413 . . 49 VAL C  . 17513 2 
      201 . 1 1 49 49 VAL CA C 13  61.939 0.042 . 1 . 322 . . 49 VAL CA . 17513 2 
      202 . 1 1 49 49 VAL CB C 13  33.084  .    . 1 . 324 . . 49 VAL CB . 17513 2 
      203 . 1 1 49 49 VAL N  N 15 123.800 0.041 . 1 .  34 . . 49 VAL N  . 17513 2 
      204 . 1 1 50 50 LYS H  H  1   8.501 0.002 . 1 . 470 . . 50 LYS H  . 17513 2 
      205 . 1 1 50 50 LYS C  C 13 176.277  .    . 1 . 472 . . 50 LYS C  . 17513 2 
      206 . 1 1 50 50 LYS CA C 13  56.214 0.033 . 1 . 466 . . 50 LYS CA . 17513 2 
      207 . 1 1 50 50 LYS CB C 13  33.083 0.155 . 1 . 467 . . 50 LYS CB . 17513 2 
      208 . 1 1 50 50 LYS N  N 15 126.704 0.098 . 1 . 471 . . 50 LYS N  . 17513 2 
      209 . 1 1 51 51 ILE H  H  1   8.566 0.001 . 1 . 462 . . 51 ILE H  . 17513 2 
      210 . 1 1 51 51 ILE CA C 13  60.935  .    . 1 . 465 . . 51 ILE CA . 17513 2 
      211 . 1 1 51 51 ILE CB C 13  38.696  .    . 1 . 464 . . 51 ILE CB . 17513 2 
      212 . 1 1 51 51 ILE N  N 15 124.742 0.059 . 1 . 463 . . 51 ILE N  . 17513 2 
      213 . 1 1 52 52 THR H  H  1   8.426 0.003 . 1 . 399 . . 52 THR H  . 17513 2 
      214 . 1 1 52 52 THR C  C 13 174.104 0.009 . 1 . 406 . . 52 THR C  . 17513 2 
      215 . 1 1 52 52 THR CA C 13  61.505 0.001 . 1 . 402 . . 52 THR CA . 17513 2 
      216 . 1 1 52 52 THR CB C 13  69.673 0.055 . 1 . 401 . . 52 THR CB . 17513 2 
      217 . 1 1 52 52 THR N  N 15 119.563 0.036 . 1 . 400 . . 52 THR N  . 17513 2 
      218 . 1 1 53 53 GLU H  H  1   8.523 0.004 . 1 . 405 . . 53 GLU H  . 17513 2 
      219 . 1 1 53 53 GLU C  C 13 175.786 0.004 . 1 . 407 . . 53 GLU C  . 17513 2 
      220 . 1 1 53 53 GLU CB C 13  30.532 0.01  . 1 . 606 . . 53 GLU CB . 17513 2 
      221 . 1 1 53 53 GLU N  N 15 123.958 0.057 . 1 . 404 . . 53 GLU N  . 17513 2 
      222 . 1 1 54 54 HIS H  H  1   8.661 0.003 . 1 . 408 . . 54 HIS H  . 17513 2 
      223 . 1 1 54 54 HIS C  C 13 172.973  .    . 1 . 410 . . 54 HIS C  . 17513 2 
      224 . 1 1 54 54 HIS CB C 13  29.674  .    . 1 . 412 . . 54 HIS CB . 17513 2 
      225 . 1 1 54 54 HIS N  N 15 120.409 0.031 . 1 . 409 . . 54 HIS N  . 17513 2 
      226 . 1 1 55 55 PRO C  C 13 176.741  .    . 1 . 386 . . 55 PRO C  . 17513 2 
      227 . 1 1 55 55 PRO CA C 13  63.469  .    . 1 . 385 . . 55 PRO CA . 17513 2 
      228 . 1 1 56 56 ASP H  H  1   8.831 0.002 . 1 .  85 . . 56 ASP H  . 17513 2 
      229 . 1 1 56 56 ASP C  C 13 176.866 0.036 . 1 . 180 . . 56 ASP C  . 17513 2 
      230 . 1 1 56 56 ASP CA C 13  54.316  .    . 1 . 178 . . 56 ASP CA . 17513 2 
      231 . 1 1 56 56 ASP CB C 13  41.404 0.037 . 1 . 177 . . 56 ASP CB . 17513 2 
      232 . 1 1 56 56 ASP N  N 15 121.137 0.044 . 1 .  86 . . 56 ASP N  . 17513 2 
      233 . 1 1 57 57 GLY H  H  1   8.454 0.002 . 1 . 153 . . 57 GLY H  . 17513 2 
      234 . 1 1 57 57 GLY C  C 13 174.532 0.008 . 1 . 176 . . 57 GLY C  . 17513 2 
      235 . 1 1 57 57 GLY CA C 13  45.516 0.035 . 1 . 175 . . 57 GLY CA . 17513 2 
      236 . 1 1 57 57 GLY N  N 15 109.407 0.04  . 1 . 154 . . 57 GLY N  . 17513 2 
      237 . 1 1 58 58 THR H  H  1   8.203 0.001 . 1 . 129 . . 58 THR H  . 17513 2 
      238 . 1 1 58 58 THR C  C 13 174.355  .    . 1 . 179 . . 58 THR C  . 17513 2 
      239 . 1 1 58 58 THR CA C 13  62.046 0.004 . 1 . 173 . . 58 THR CA . 17513 2 
      240 . 1 1 58 58 THR CB C 13  69.788 0.012 . 1 . 174 . . 58 THR CB . 17513 2 
      241 . 1 1 58 58 THR N  N 15 113.230 0.039 . 1 . 130 . . 58 THR N  . 17513 2 
      242 . 1 1 59 59 ASP H  H  1   8.548 0.001 . 1 .  54 . . 59 ASP H  . 17513 2 
      243 . 1 1 59 59 ASP C  C 13 175.882 0.005 . 1 . 237 . . 59 ASP C  . 17513 2 
      244 . 1 1 59 59 ASP CA C 13  54.348 0.06  . 1 . 235 . . 59 ASP CA . 17513 2 
      245 . 1 1 59 59 ASP CB C 13  41.048 0.027 . 1 . 236 . . 59 ASP CB . 17513 2 
      246 . 1 1 59 59 ASP N  N 15 122.648 0.045 . 1 .  55 . . 59 ASP N  . 17513 2 
      247 . 1 1 60 60 LEU H  H  1   8.236  .    . 1 .  52 . . 60 LEU H  . 17513 2 
      248 . 1 1 60 60 LEU C  C 13 176.733 0.003 . 1 . 524 . . 60 LEU C  . 17513 2 
      249 . 1 1 60 60 LEU CA C 13  55.079 0.029 . 1 . 437 . . 60 LEU CA . 17513 2 
      250 . 1 1 60 60 LEU CB C 13  42.156 0.067 . 1 . 491 . . 60 LEU CB . 17513 2 
      251 . 1 1 60 60 LEU N  N 15 122.502 0.082 . 1 .  53 . . 60 LEU N  . 17513 2 
      252 . 1 1 61 61 ILE H  H  1   8.236 0.002 . 1 . 537 . . 61 ILE H  . 17513 2 
      253 . 1 1 61 61 ILE C  C 13 175.297 0.007 . 1 . 540 . . 61 ILE C  . 17513 2 
      254 . 1 1 61 61 ILE CA C 13  60.811 0.001 . 1 . 539 . . 61 ILE CA . 17513 2 
      255 . 1 1 61 61 ILE CB C 13  38.531 0.053 . 1 . 529 . . 61 ILE CB . 17513 2 
      256 . 1 1 61 61 ILE N  N 15 122.691 0.04  . 1 . 538 . . 61 ILE N  . 17513 2 
      257 . 1 1 62 62 TYR H  H  1   8.342 0.003 . 1 .  17 . . 62 TYR H  . 17513 2 
      258 . 1 1 62 62 TYR C  C 13 174.589 0.036 . 1 . 492 . . 62 TYR C  . 17513 2 
      259 . 1 1 62 62 TYR CA C 13  57.307 0.071 . 1 . 499 . . 62 TYR CA . 17513 2 
      260 . 1 1 62 62 TYR CB C 13  39.561 0.018 . 1 . 541 . . 62 TYR CB . 17513 2 
      261 . 1 1 62 62 TYR N  N 15 125.395 0.055 . 1 .  18 . . 62 TYR N  . 17513 2 
      262 . 1 1 63 63 TYR H  H  1   8.354 0.003 . 1 . 495 . . 63 TYR H  . 17513 2 
      263 . 1 1 63 63 TYR C  C 13 173.475  .    . 1 . 497 . . 63 TYR C  . 17513 2 
      264 . 1 1 63 63 TYR CA C 13  55.435  .    . 1 . 544 . . 63 TYR CA . 17513 2 
      265 . 1 1 63 63 TYR CB C 13  39.095  .    . 1 . 545 . . 63 TYR CB . 17513 2 
      266 . 1 1 63 63 TYR N  N 15 124.944 0.056 . 1 . 496 . . 63 TYR N  . 17513 2 
      267 . 1 1 64 64 PRO C  C 13 176.777  .    . 1 . 263 . . 64 PRO C  . 17513 2 
      268 . 1 1 64 64 PRO CA C 13  63.046  .    . 1 . 259 . . 64 PRO CA . 17513 2 
      269 . 1 1 64 64 PRO CB C 13  32.146  .    . 1 . 261 . . 64 PRO CB . 17513 2 
      270 . 1 1 65 65 SER H  H  1   8.518 0.001 . 1 . 125 . . 65 SER H  . 17513 2 
      271 . 1 1 65 65 SER C  C 13 174.347 0.001 . 1 . 265 . . 65 SER C  . 17513 2 
      272 . 1 1 65 65 SER CA C 13  58.266 0.004 . 1 . 258 . . 65 SER CA . 17513 2 
      273 . 1 1 65 65 SER CB C 13  63.875 0.003 . 1 . 260 . . 65 SER CB . 17513 2 
      274 . 1 1 65 65 SER N  N 15 116.073 0.038 . 1 . 126 . . 65 SER N  . 17513 2 
      275 . 1 1 66 66 ASP H  H  1   8.512 0.001 . 1 .  58 . . 66 ASP H  . 17513 2 
      276 . 1 1 66 66 ASP C  C 13 175.886  .    . 1 . 266 . . 66 ASP C  . 17513 2 
      277 . 1 1 66 66 ASP CA C 13  54.165 0.045 . 1 . 267 . . 66 ASP CA . 17513 2 
      278 . 1 1 66 66 ASP CB C 13  41.265 0.014 . 1 . 264 . . 66 ASP CB . 17513 2 
      279 . 1 1 66 66 ASP N  N 15 122.529 0.041 . 1 .  59 . . 66 ASP N  . 17513 2 
      280 . 1 1 67 67 ASN H  H  1   8.482 0.001 . 1 . 113 . . 67 ASN H  . 17513 2 
      281 . 1 1 67 67 ASN C  C 13 175.390 0.003 . 1 . 417 . . 67 ASN C  . 17513 2 
      282 . 1 1 67 67 ASN CA C 13  53.183 0.103 . 1 . 416 . . 67 ASN CA . 17513 2 
      283 . 1 1 67 67 ASN CB C 13  38.807 0.041 . 1 . 415 . . 67 ASN CB . 17513 2 
      284 . 1 1 67 67 ASN N  N 15 119.562 0.035 . 1 . 114 . . 67 ASN N  . 17513 2 
      285 . 1 1 68 68 ARG H  H  1   8.477 0.003 . 1 .  69 . . 68 ARG H  . 17513 2 
      286 . 1 1 68 68 ARG C  C 13 176.170 0.01  . 1 . 423 . . 68 ARG C  . 17513 2 
      287 . 1 1 68 68 ARG CA C 13  56.443 0.01  . 1 . 420 . . 68 ARG CA . 17513 2 
      288 . 1 1 68 68 ARG CB C 13  30.864 0.044 . 1 . 422 . . 68 ARG CB . 17513 2 
      289 . 1 1 68 68 ARG N  N 15 121.929 0.049 . 1 .  70 . . 68 ARG N  . 17513 2 
      290 . 1 1 69 69 ASP H  H  1   8.501 0.001 . 1 .  81 . . 69 ASP H  . 17513 2 
      291 . 1 1 69 69 ASP C  C 13 175.858 0.009 . 1 . 426 . . 69 ASP C  . 17513 2 
      292 . 1 1 69 69 ASP CA C 13  54.292 0.082 . 1 . 424 . . 69 ASP CA . 17513 2 
      293 . 1 1 69 69 ASP CB C 13  41.144 0.028 . 1 . 425 . . 69 ASP CB . 17513 2 
      294 . 1 1 69 69 ASP N  N 15 121.368 0.04  . 1 .  82 . . 69 ASP N  . 17513 2 
      295 . 1 1 70 70 ASP H  H  1   8.328 0.001 . 1 .  89 . . 70 ASP H  . 17513 2 
      296 . 1 1 70 70 ASP C  C 13 176.036 0.011 . 1 . 268 . . 70 ASP C  . 17513 2 
      297 . 1 1 70 70 ASP CA C 13  53.926 0.032 . 1 . 282 . . 70 ASP CA . 17513 2 
      298 . 1 1 70 70 ASP CB C 13  41.077 0.039 . 1 . 283 . . 70 ASP CB . 17513 2 
      299 . 1 1 70 70 ASP N  N 15 121.141 0.039 . 1 .  90 . . 70 ASP N  . 17513 2 
      300 . 1 1 71 71 SER H  H  1   8.345 0.002 . 1 . 119 . . 71 SER H  . 17513 2 
      301 . 1 1 71 71 SER C  C 13 172.957  .    . 1 . 279 . . 71 SER C  . 17513 2 
      302 . 1 1 71 71 SER CA C 13  56.752  .    . 1 . 281 . . 71 SER CA . 17513 2 
      303 . 1 1 71 71 SER CB C 13  63.118  .    . 1 . 280 . . 71 SER CB . 17513 2 
      304 . 1 1 71 71 SER N  N 15 117.214 0.042 . 1 . 120 . . 71 SER N  . 17513 2 
      305 . 1 1 72 72 PRO CA C 13  63.487  .    . 1 . 224 . . 72 PRO CA . 17513 2 
      306 . 1 1 72 72 PRO CB C 13  32.025  .    . 1 . 225 . . 72 PRO CB . 17513 2 
      307 . 1 1 73 73 GLU H  H  1   8.581 0.001 . 1 .  97 . . 73 GLU H  . 17513 2 
      308 . 1 1 73 73 GLU C  C 13 177.044 0.008 . 1 . 218 . . 73 GLU C  . 17513 2 
      309 . 1 1 73 73 GLU CA C 13  56.835 0.034 . 1 . 221 . . 73 GLU CA . 17513 2 
      310 . 1 1 73 73 GLU CB C 13  30.274 0.058 . 1 . 222 . . 73 GLU CB . 17513 2 
      311 . 1 1 73 73 GLU N  N 15 120.623 0.043 . 1 .  98 . . 73 GLU N  . 17513 2 
      312 . 1 1 74 74 GLY H  H  1   8.397 0.001 . 1 . 149 . . 74 GLY H  . 17513 2 
      313 . 1 1 74 74 GLY C  C 13 173.763 0.005 . 1 . 219 . . 74 GLY C  . 17513 2 
      314 . 1 1 74 74 GLY CA C 13  45.200 0.02  . 1 . 220 . . 74 GLY CA . 17513 2 
      315 . 1 1 74 74 GLY N  N 15 109.876 0.04  . 1 . 150 . . 74 GLY N  . 17513 2 
      316 . 1 1 75 75 ILE H  H  1   8.024 0.001 . 1 . 107 . . 75 ILE H  . 17513 2 
      317 . 1 1 75 75 ILE C  C 13 176.227 0.009 . 1 . 228 . . 75 ILE C  . 17513 2 
      318 . 1 1 75 75 ILE CA C 13  60.970 0.003 . 1 . 226 . . 75 ILE CA . 17513 2 
      319 . 1 1 75 75 ILE CB C 13  38.736 0.054 . 1 . 227 . . 75 ILE CB . 17513 2 
      320 . 1 1 75 75 ILE N  N 15 120.420 0.038 . 1 . 108 . . 75 ILE N  . 17513 2 
      321 . 1 1 76 76 VAL H  H  1   8.415 0.003 . 1 . 512 . . 76 VAL H  . 17513 2 
      322 . 1 1 76 76 VAL C  C 13 176.012 0.011 . 1 . 516 . . 76 VAL C  . 17513 2 
      323 . 1 1 76 76 VAL CA C 13  62.293  .    . 1 . 594 . . 76 VAL CA . 17513 2 
      324 . 1 1 76 76 VAL CB C 13  32.649 0.034 . 1 . 608 . . 76 VAL CB . 17513 2 
      325 . 1 1 76 76 VAL N  N 15 125.925 0.094 . 1 . 513 . . 76 VAL N  . 17513 2 
      326 . 1 1 77 77 LYS H  H  1   8.578 0.004 . 1 . 455 . . 77 LYS H  . 17513 2 
      327 . 1 1 77 77 LYS C  C 13 176.230 0.005 . 1 . 515 . . 77 LYS C  . 17513 2 
      328 . 1 1 77 77 LYS CA C 13  56.200  .    . 1 . 458 . . 77 LYS CA . 17513 2 
      329 . 1 1 77 77 LYS CB C 13  33.177 0.038 . 1 . 457 . . 77 LYS CB . 17513 2 
      330 . 1 1 77 77 LYS N  N 15 126.840 0.046 . 1 . 456 . . 77 LYS N  . 17513 2 
      331 . 1 1 78 78 GLU H  H  1   8.581 0.003 . 1 . 460 . . 78 GLU H  . 17513 2 
      332 . 1 1 78 78 GLU C  C 13 176.171 0.02  . 1 . 563 . . 78 GLU C  . 17513 2 
      333 . 1 1 78 78 GLU CA C 13  56.321 0.014 . 1 . 609 . . 78 GLU CA . 17513 2 
      334 . 1 1 78 78 GLU CB C 13  30.423 0.023 . 1 . 560 . . 78 GLU CB . 17513 2 
      335 . 1 1 78 78 GLU N  N 15 123.334 0.064 . 1 . 461 . . 78 GLU N  . 17513 2 
      336 . 1 1 79 79 ILE H  H  1   8.495 0.004 . 1 . 447 . . 79 ILE H  . 17513 2 
      337 . 1 1 79 79 ILE C  C 13 176.152  .    . 1 . 617 . . 79 ILE C  . 17513 2 
      338 . 1 1 79 79 ILE CA C 13  60.955 0.009 . 1 . 613 . . 79 ILE CA . 17513 2 
      339 . 1 1 79 79 ILE CB C 13  38.497 0.029 . 1 . 612 . . 79 ILE CB . 17513 2 
      340 . 1 1 79 79 ILE N  N 15 124.073 0.052 . 1 . 448 . . 79 ILE N  . 17513 2 
      341 . 1 1 80 80 LYS H  H  1   8.595 0.003 . 1 . 614 . . 80 LYS H  . 17513 2 
      342 . 1 1 80 80 LYS C  C 13 176.237 0.002 . 1 . 618 . . 80 LYS C  . 17513 2 
      343 . 1 1 80 80 LYS CB C 13  33.176  .    . 1 . 616 . . 80 LYS CB . 17513 2 
      344 . 1 1 80 80 LYS N  N 15 126.847 0.053 . 1 . 615 . . 80 LYS N  . 17513 2 
      345 . 1 1 81 81 GLU H  H  1   8.579 0.004 . 1 . 597 . . 81 GLU H  . 17513 2 
      346 . 1 1 81 81 GLU C  C 13 175.921  .    . 1 . 595 . . 81 GLU C  . 17513 2 
      347 . 1 1 81 81 GLU N  N 15 122.957 0.014 . 1 . 619 . . 81 GLU N  . 17513 2 
      348 . 1 1 82 82 TRP H  H  1   8.488 0.003 . 1 .  31 . . 82 TRP H  . 17513 2 
      349 . 1 1 82 82 TRP C  C 13 175.996 0.01  . 1 . 213 . . 82 TRP C  . 17513 2 
      350 . 1 1 82 82 TRP CA C 13  57.761 0.004 . 1 . 214 . . 82 TRP CA . 17513 2 
      351 . 1 1 82 82 TRP CB C 13  29.579  .    . 1 . 215 . . 82 TRP CB . 17513 2 
      352 . 1 1 82 82 TRP N  N 15 124.030 0.019 . 1 .  32 . . 82 TRP N  . 17513 2 
      353 . 1 1 83 83 ARG H  H  1   8.140 0.002 . 1 . 568 . . 83 ARG H  . 17513 2 
      354 . 1 1 83 83 ARG C  C 13 175.281 0.005 . 1 . 209 . . 83 ARG C  . 17513 2 
      355 . 1 1 83 83 ARG CA C 13  55.485  .    . 1 . 533 . . 83 ARG CA . 17513 2 
      356 . 1 1 83 83 ARG CB C 13  31.459 0.026 . 1 . 212 . . 83 ARG CB . 17513 2 
      357 . 1 1 83 83 ARG N  N 15 124.315 0.054 . 1 . 569 . . 83 ARG N  . 17513 2 
      358 . 1 1 84 84 ALA H  H  1   8.237 0.001 . 1 .  15 . . 84 ALA H  . 17513 2 
      359 . 1 1 84 84 ALA C  C 13 177.658  .    . 1 . 210 . . 84 ALA C  . 17513 2 
      360 . 1 1 84 84 ALA CA C 13  52.303 0.047 . 1 . 207 . . 84 ALA CA . 17513 2 
      361 . 1 1 84 84 ALA CB C 13  19.135 0.055 . 1 . 208 . . 84 ALA CB . 17513 2 
      362 . 1 1 84 84 ALA N  N 15 125.602 0.051 . 1 .  16 . . 84 ALA N  . 17513 2 
      363 . 1 1 85 85 ALA H  H  1   8.446 0.002 . 1 .  35 . . 85 ALA H  . 17513 2 
      364 . 1 1 85 85 ALA C  C 13 177.581 0.015 . 1 . 204 . . 85 ALA C  . 17513 2 
      365 . 1 1 85 85 ALA CA C 13  52.559 0.027 . 1 . 205 . . 85 ALA CA . 17513 2 
      366 . 1 1 85 85 ALA CB C 13  19.093 0.013 . 1 . 206 . . 85 ALA CB . 17513 2 
      367 . 1 1 85 85 ALA N  N 15 123.780 0.07  . 1 .  36 . . 85 ALA N  . 17513 2 
      368 . 1 1 86 86 ASN H  H  1   8.402 0.001 . 1 . 115 . . 86 ASN H  . 17513 2 
      369 . 1 1 86 86 ASN C  C 13 175.700 0.0   . 1 . 201 . . 86 ASN C  . 17513 2 
      370 . 1 1 86 86 ASN CA C 13  53.026 0.018 . 1 . 199 . . 86 ASN CA . 17513 2 
      371 . 1 1 86 86 ASN CB C 13  38.841 0.047 . 1 . 198 . . 86 ASN CB . 17513 2 
      372 . 1 1 86 86 ASN N  N 15 117.620 0.043 . 1 . 116 . . 86 ASN N  . 17513 2 
      373 . 1 1 87 87 GLY H  H  1   8.342 0.003 . 1 . 155 . . 87 GLY H  . 17513 2 
      374 . 1 1 87 87 GLY C  C 13 173.551 0.005 . 1 . 200 . . 87 GLY C  . 17513 2 
      375 . 1 1 87 87 GLY CA C 13  45.081 0.036 . 1 . 197 . . 87 GLY CA . 17513 2 
      376 . 1 1 87 87 GLY N  N 15 109.013 0.046 . 1 . 156 . . 87 GLY N  . 17513 2 
      377 . 1 1 88 88 LYS H  H  1   8.255 0.001 . 1 .  67 . . 88 LYS H  . 17513 2 
      378 . 1 1 88 88 LYS CA C 13  54.318  .    . 1 . 202 . . 88 LYS CA . 17513 2 
      379 . 1 1 88 88 LYS CB C 13  32.597  .    . 1 . 203 . . 88 LYS CB . 17513 2 
      380 . 1 1 88 88 LYS N  N 15 121.967 0.036 . 1 .  68 . . 88 LYS N  . 17513 2 
      381 . 1 1 89 89 PRO C  C 13 177.340  .    . 1 . 182 . . 89 PRO C  . 17513 2 
      382 . 1 1 89 89 PRO CA C 13  63.279  .    . 1 . 185 . . 89 PRO CA . 17513 2 
      383 . 1 1 89 89 PRO CB C 13  32.132  .    . 1 . 184 . . 89 PRO CB . 17513 2 
      384 . 1 1 90 90 GLY H  H  1   8.557 0.001 . 1 . 151 . . 90 GLY H  . 17513 2 
      385 . 1 1 90 90 GLY C  C 13 173.677 0.015 . 1 . 181 . . 90 GLY C  . 17513 2 
      386 . 1 1 90 90 GLY CA C 13  45.016 0.007 . 1 . 183 . . 90 GLY CA . 17513 2 
      387 . 1 1 90 90 GLY N  N 15 109.461 0.039 . 1 . 152 . . 90 GLY N  . 17513 2 
      388 . 1 1 91 91 PHE H  H  1   8.213 0.001 . 1 . 101 . . 91 PHE H  . 17513 2 
      389 . 1 1 91 91 PHE C  C 13 175.536 0.004 . 1 . 188 . . 91 PHE C  . 17513 2 
      390 . 1 1 91 91 PHE CA C 13  57.721 0.001 . 1 . 186 . . 91 PHE CA . 17513 2 
      391 . 1 1 91 91 PHE CB C 13  39.879 0.001 . 1 . 187 . . 91 PHE CB . 17513 2 
      392 . 1 1 91 91 PHE N  N 15 120.498 0.037 . 1 . 102 . . 91 PHE N  . 17513 2 
      393 . 1 1 92 92 LYS H  H  1   8.463 0.001 . 1 .  23 . . 92 LYS H  . 17513 2 
      394 . 1 1 92 92 LYS C  C 13 175.868 0.005 . 1 . 189 . . 92 LYS C  . 17513 2 
      395 . 1 1 92 92 LYS CA C 13  56.177 0.029 . 1 . 190 . . 92 LYS CA . 17513 2 
      396 . 1 1 92 92 LYS CB C 13  33.295 0.017 . 1 . 191 . . 92 LYS CB . 17513 2 
      397 . 1 1 92 92 LYS N  N 15 124.646 0.043 . 1 .  24 . . 92 LYS N  . 17513 2 
      398 . 1 1 93 93 GLN H  H  1   8.540 0.001 . 1 .  43 . . 93 GLN H  . 17513 2 
      399 . 1 1 93 93 GLN C  C 13 175.389 0.005 . 1 . 195 . . 93 GLN C  . 17513 2 
      400 . 1 1 93 93 GLN CA C 13  55.799 0.007 . 1 . 193 . . 93 GLN CA . 17513 2 
      401 . 1 1 93 93 GLN CB C 13  29.889 0.02  . 1 . 194 . . 93 GLN CB . 17513 2 
      402 . 1 1 93 93 GLN N  N 15 123.268 0.037 . 1 .  44 . . 93 GLN N  . 17513 2 
      403 . 1 1 94 94 GLY H  H  1   8.250 0.001 . 1 . 117 . . 94 GLY H  . 17513 2 
      404 . 1 1 94 94 GLY C  C 13 179.000  .    . 1 . 196 . . 94 GLY C  . 17513 2 
      405 . 1 1 94 94 GLY CA C 13  46.231  .    . 1 . 192 . . 94 GLY CA . 17513 2 
      406 . 1 1 94 94 GLY N  N 15 117.336 0.038 . 1 . 118 . . 94 GLY N  . 17513 2 

   stop_

save_