data_19394

#######################
#  Entry information  #
#######################

save_entry_information
   _Saveframe_category      entry_information

   _Entry_title            
;
Solution Structure of the human Polymerase iota UBM1-Ubiquitin Complex
;
   _BMRB_accession_number   19394
   _BMRB_flat_file_name     bmr19394.str
   _Entry_type              original
   _Submission_date         2013-07-29
   _Accession_date          2013-07-29
   _Entry_origination       author
   _NMR_STAR_version        2.1.1
   _Experimental_method     NMR
   _Details                 .

   loop_
      _Author_ordinal
      _Author_family_name
      _Author_given_name
      _Author_middle_initials
      _Author_family_title

      1 Wang Su  . . 
      2 Zhou Pei . . 

   stop_

   loop_
      _Saveframe_category_type
      _Saveframe_category_type_count

      assigned_chemical_shifts 2 

   stop_

   loop_
      _Data_type
      _Data_type_count

      "1H chemical shifts"  1045 
      "13C chemical shifts"  582 
      "15N chemical shifts"  184 

   stop_

   loop_
      _Revision_date
      _Revision_keyword
      _Revision_author
      _Revision_detail

      2014-06-02 original author . 

   stop_

   _Original_release_date   2014-06-02

save_


#############################
#  Citation for this entry  #
#############################

save_entry_citation
   _Saveframe_category           entry_citation

   _Citation_full                .
   _Citation_title              'Sparsely-sampled, high-resolution 4-D omit spectra for detection and assignment of intermolecular NOEs of protein complexes'
   _Citation_status              published
   _Citation_type                journal
   _CAS_abstract_code            .
   _MEDLINE_UI_code              .
   _PubMed_ID                    24789524

   loop_
      _Author_ordinal
      _Author_family_name
      _Author_given_name
      _Author_middle_initials
      _Author_family_title

      1 Wang Su  . . 
      2 Zhou Pei . . 

   stop_

   _Journal_abbreviation        'J. Biomol. NMR'
   _Journal_volume               59
   _Journal_issue                2
   _Journal_CSD                  .
   _Book_chapter_title           .
   _Book_volume                  .
   _Book_series                  .
   _Book_ISBN                    .
   _Conference_state_province    .
   _Conference_abstract_number   .
   _Page_first                   51
   _Page_last                    56
   _Year                         2014
   _Details                      .

save_


##################################
#  Molecular system description  #
##################################

save_assembly
   _Saveframe_category         molecular_system

   _Mol_system_name           'human Polymerase iota UBM1-Ubiquitin Complex'
   _Enzyme_commission_number   .

   loop_
      _Mol_system_component_name
      _Mol_label

      GB1-UBM1  $GB1-UBM1  
      ubiquitin $ubiquitin 

   stop_

   _System_molecular_weight    .
   _System_physical_state      native
   _System_oligomer_state      ?
   _System_paramagnetic        no
   _System_thiol_state         .
   _Database_query_date        .
   _Details                    .

save_


    ########################
    #  Monomeric polymers  #
    ########################

save_GB1-UBM1
   _Saveframe_category                          monomeric_polymer

   _Mol_type                                    polymer
   _Mol_polymer_class                           protein
   _Name_common                                 GB1-UBM1
   _Molecular_mass                              4290.950
   _Mol_thiol_state                            'all free'
   _Details                                     .

   	##############################
   	#  Polymer residue sequence  #
   	##############################
   
      _Residue_count                               106
   _Mol_residue_sequence                       
;
MQYKLILNGKTLKGETTTEA
VDAATAEKVFKQYANDNGVD
GEWTYDDATKTFTVTEGSNE
FPLCSLPEGVDQEVFKQLPV
DIQEEILSGKSREKFQGKLE
HHHHHH
;

   loop_
      _Residue_seq_code
      _Residue_label

        1 MET    2 GLN    3 TYR    4 LYS    5 LEU 
        6 ILE    7 LEU    8 ASN    9 GLY   10 LYS 
       11 THR   12 LEU   13 LYS   14 GLY   15 GLU 
       16 THR   17 THR   18 THR   19 GLU   20 ALA 
       21 VAL   22 ASP   23 ALA   24 ALA   25 THR 
       26 ALA   27 GLU   28 LYS   29 VAL   30 PHE 
       31 LYS   32 GLN   33 TYR   34 ALA   35 ASN 
       36 ASP   37 ASN   38 GLY   39 VAL   40 ASP 
       41 GLY   42 GLU   43 TRP   44 THR   45 TYR 
       46 ASP   47 ASP   48 ALA   49 THR   50 LYS 
       51 THR   52 PHE   53 THR   54 VAL   55 THR 
       56 GLU   57 GLY   58 SER   59 ASN   60 GLU 
       61 PHE   62 PRO   63 LEU   64 CYS   65 SER 
       66 LEU   67 PRO   68 GLU   69 GLY   70 VAL 
       71 ASP   72 GLN   73 GLU   74 VAL   75 PHE 
       76 LYS   77 GLN   78 LEU   79 PRO   80 VAL 
       81 ASP   82 ILE   83 GLN   84 GLU   85 GLU 
       86 ILE   87 LEU   88 SER   89 GLY   90 LYS 
       91 SER   92 ARG   93 GLU   94 LYS   95 PHE 
       96 GLN   97 GLY   98 LYS   99 LEU  100 GLU 
      101 HIS  102 HIS  103 HIS  104 HIS  105 HIS 
      106 HIS 

   stop_

   _Sequence_homology_query_date                .
   _Sequence_homology_query_revised_last_date   2015-11-04

   loop_
      _Database_name
      _Database_accession_code
      _Database_entry_mol_name
      _Sequence_query_to_submitted_percentage
      _Sequence_subject_length
      _Sequence_identity
      _Sequence_positive
      _Sequence_homology_expectation_value

      BMRB    15156  GB1                                                                                                                               52.83  56 100.00 100.00 2.40e-30 
      BMRB    15380  GB1                                                                                                                               52.83  56 100.00 100.00 2.40e-30 
      BMRB    16444  SC35                                                                                                                              55.66 158  98.31 100.00 2.99e-31 
      BMRB    16627  Protein_GB1_(2Q6I)                                                                                                                52.83  56 100.00 100.00 2.40e-30 
      BMRB    16873  GB1                                                                                                                               52.83  56 100.00 100.00 2.40e-30 
      BMRB    17810  entity                                                                                                                            52.83  56 100.00 100.00 2.40e-30 
      BMRB    18397  GB1                                                                                                                               52.83  56 100.00 100.00 2.40e-30 
      BMRB    26630  Protein_G_Domain_Beta-1_Wild_Type                                                                                                 52.83  64  98.21  98.21 2.85e-29 
      PDB  1GB1      "A Novel, Highly Stable Fold Of The Immunoglobulin Binding Domain Of Streptococcal Protein G"                                      52.83  56  98.21  98.21 2.07e-29 
      PDB  1IBX      "Nmr Structure Of Dff40 And Dff45 N-Terminal Domain Complex"                                                                       53.77 145  98.25  98.25 6.83e-30 
      PDB  1PGA      "Two Crystal Structures Of The B1 Immunoglobulin-Binding Domain Of Streptococcal Protein G And Comparison With Nmr"                52.83  56  98.21  98.21 2.07e-29 
      PDB  1PGB      "Two Crystal Structures Of The B1 Immunoglobulin-Binding Domain Of Streptoccocal Protein G And Comparison With Nmr"                52.83  56  98.21  98.21 2.07e-29 
      PDB  1PN5      "Nmr Structure Of The Nalp1 Pyrin Domain (Pyd)"                                                                                    54.72 159 100.00 100.00 3.10e-31 
      PDB  2GB1      "A Novel, Highly Stable Fold Of The Immunoglobulin Binding Domain Of Streptococcal Protein G"                                      52.83  56  98.21  98.21 2.07e-29 
      PDB  2GI9      "Backbone Conformational Constraints In A Microcrystalline U- 15n-Labeled Protein By 3d Dipolar-Shift Solid-State Nmr Spectrosco"  52.83  56 100.00 100.00 2.40e-30 
      PDB  2I2Y      "Solution Structure Of The Rrm Of Srp20 Bound To The Rna Cauc"                                                                     54.72 150 100.00 100.00 9.38e-31 
      PDB  2I38      "Solution Structure Of The Rrm Of Srp20"                                                                                           54.72 150 100.00 100.00 9.69e-31 
      PDB  2JSV      "Dipole Tensor-Based Refinement For Atomic-Resolution Structure Determination Of A Nanocrystalline Protein By Solid-State Nmr Sp"  52.83  56 100.00 100.00 2.40e-30 
      PDB  2JU6      "Solid-State Protein Structure Determination With Proton- Detected Triple Resonance 3d Magic-Angle Spinning Nmr Spectroscopy"      52.83  56 100.00 100.00 2.40e-30 
      PDB  2K0P      "Determination Of A Protein Structure In The Solid State From Nmr Chemical Shifts"                                                 52.83  56 100.00 100.00 2.40e-30 
      PDB  2KLK      "Solution Structure Of Gb1 A34f Mutant With Rdc And Saxs"                                                                          52.83  56  98.21  98.21 3.05e-29 
      PDB  2KN4      "The Structure Of The Rrm Domain Of Sc35"                                                                                          55.66 158  98.31 100.00 2.99e-31 
      PDB  2KQ4      "Atomic Resolution Protein Structure Determination By Three- Dimensional Transferred Echo Double Resonance Solid-State Nuclear M"  52.83  56 100.00 100.00 2.40e-30 
      PDB  2KWD      "Supramolecular Protein Structure Determination By Site-Speci Range Intermolecular Solid State Nmr Spectroscopy"                   52.83  56 100.00 100.00 2.40e-30 
      PDB  2LGI      "Atomic Resolution Protein Structures Using Nmr Chemical Shift Tensors"                                                            52.83  56 100.00 100.00 2.40e-30 
      PDB  2MBB      "Solution Structure Of The Human Polymerase Iota Ubm1-ubiquitin Complex"                                                          100.00 106 100.00 100.00 1.83e-71 
      PDB  2PLP      "Ultra High Resolution Backbone Conformation Of Protein Gb1 From Residual Dipolar Couplings Alone"                                 50.00  54 100.00 100.00 1.02e-27 
      PDB  2QMT      "Crystal Polymorphism Of Protein Gb1 Examined By Solid-State Nmr And X-Ray Diffraction"                                            52.83  56 100.00 100.00 2.40e-30 
      PDB  2RMM      "Solution Structure Of Gb1 A34f Mutant"                                                                                            52.83  56  98.21  98.21 3.05e-29 
      PDB  3GB1      "Structures Of B1 Domain Of Streptococcal Protein G"                                                                               52.83  56  98.21  98.21 2.07e-29 
      PDB  3MP9      "Structure Of Streptococcal Protein G B1 Domain At Ph 3.0"                                                                         50.94  64 100.00 100.00 2.22e-28 
      PDB  3UI3      "Structural And Biochemical Characterization Of Hp0315 From Helicobacter Pylori As A Vapd Protein With An Endoribonuclease Activ"  53.77 160 100.00 100.00 4.36e-30 
      PDB  4Q0C      "3.1 A Resolution Crystal Structure Of The B. Pertussis Bvgs Periplasmic Domain"                                                   52.83 584  98.21  98.21 7.05e-28 
      GB   AAY41168  "protein G/SspDnaE fusion protein [Expression vector pJJDuet30]"                                                                   54.72 201  98.28 100.00 3.65e-30 

   stop_

save_


save_ubiquitin
   _Saveframe_category                          monomeric_polymer

   _Mol_type                                    polymer
   _Mol_polymer_class                           protein
   _Name_common                                 ubiquitin
   _Molecular_mass                              8576.914
   _Mol_thiol_state                            'not present'
   _Details                                     .
   _Residue_count                               79
   _Mol_residue_sequence                       
;
GSHMQIFVKTLTGKTITLEV
EPSDTIENVKAKIQDKEGIP
PDQQRLIFAGKQLEDGRTLS
DYNIQKESTLHLVLRLRGG
;

   loop_
      _Residue_seq_code
      _Residue_author_seq_code
      _Residue_label

       1 198 GLY   2 199 SER   3 200 HIS   4 201 MET   5 202 GLN 
       6 203 ILE   7 204 PHE   8 205 VAL   9 206 LYS  10 207 THR 
      11 208 LEU  12 209 THR  13 210 GLY  14 211 LYS  15 212 THR 
      16 213 ILE  17 214 THR  18 215 LEU  19 216 GLU  20 217 VAL 
      21 218 GLU  22 219 PRO  23 220 SER  24 221 ASP  25 222 THR 
      26 223 ILE  27 224 GLU  28 225 ASN  29 226 VAL  30 227 LYS 
      31 228 ALA  32 229 LYS  33 230 ILE  34 231 GLN  35 232 ASP 
      36 233 LYS  37 234 GLU  38 235 GLY  39 236 ILE  40 237 PRO 
      41 238 PRO  42 239 ASP  43 240 GLN  44 241 GLN  45 242 ARG 
      46 243 LEU  47 244 ILE  48 245 PHE  49 246 ALA  50 247 GLY 
      51 248 LYS  52 249 GLN  53 250 LEU  54 251 GLU  55 252 ASP 
      56 253 GLY  57 254 ARG  58 255 THR  59 256 LEU  60 257 SER 
      61 258 ASP  62 259 TYR  63 260 ASN  64 261 ILE  65 262 GLN 
      66 263 LYS  67 264 GLU  68 265 SER  69 266 THR  70 267 LEU 
      71 268 HIS  72 269 LEU  73 270 VAL  74 271 LEU  75 272 ARG 
      76 273 LEU  77 274 ARG  78 275 GLY  79 276 GLY 

   stop_

   _Sequence_homology_query_date                .
   _Sequence_homology_query_revised_last_date   2015-01-29

   loop_
      _Database_name
      _Database_accession_code
      _Database_entry_mol_name
      _Sequence_query_to_submitted_percentage
      _Sequence_subject_length
      _Sequence_identity
      _Sequence_positive
      _Sequence_homology_expectation_value

      BMRB        11505  entity                                                                                                                            96.20   76  98.68  98.68 2.52e-45 
      BMRB        11547  ubiquitin                                                                                                                         96.20   76  98.68  98.68 2.52e-45 
      BMRB        15047  denatured_ubiquitin                                                                                                               96.20   76 100.00 100.00 4.71e-46 
      BMRB        15410  Ubi                                                                                                                               96.20   76 100.00 100.00 4.71e-46 
      BMRB        15689  UBB                                                                                                                               94.94  103  98.67 100.00 5.80e-44 
      BMRB        15866  ubiquitin                                                                                                                         94.94   76 100.00 100.00 3.06e-45 
      BMRB        15907  Ubiquitin                                                                                                                         96.20   76 100.00 100.00 4.71e-46 
      BMRB        16228  ubiquitin                                                                                                                         96.20   76  97.37  98.68 1.32e-44 
      BMRB        16582  Ubiquitin                                                                                                                         96.20   76 100.00 100.00 4.71e-46 
      BMRB        16626  Ubiquitin                                                                                                                         96.20   76 100.00 100.00 4.71e-46 
      BMRB        16763  ubiquitin                                                                                                                         96.20   76 100.00 100.00 4.71e-46 
      BMRB        16880  Ubiquitin                                                                                                                         96.20   76 100.00 100.00 4.71e-46 
      BMRB        16885  Ubiquitin                                                                                                                         96.20   76 100.00 100.00 4.71e-46 
      BMRB        16895  UBB+1                                                                                                                             94.94  103  98.67 100.00 5.80e-44 
      BMRB        17059  ubiquitin                                                                                                                         96.20  156 100.00 100.00 6.92e-46 
      BMRB        17181  ubiquitin                                                                                                                         96.20   76 100.00 100.00 4.71e-46 
      BMRB        17239  ubiquitin                                                                                                                         96.20   76 100.00 100.00 4.71e-46 
      BMRB        17333  UB                                                                                                                                96.20   76 100.00 100.00 4.71e-46 
      BMRB        17439  ubiquitin                                                                                                                         96.20   76 100.00 100.00 4.71e-46 
      BMRB        17769  Ubiquitin                                                                                                                         96.20   76 100.00 100.00 4.71e-46 
      BMRB        17919  entity                                                                                                                            96.20   76 100.00 100.00 4.71e-46 
      BMRB        18582  ubiquitin                                                                                                                         96.20   76 100.00 100.00 4.71e-46 
      BMRB        18583  ubiquitin                                                                                                                         96.20   76 100.00 100.00 4.71e-46 
      BMRB        18584  ubiquitin                                                                                                                         96.20   76 100.00 100.00 4.71e-46 
      BMRB        18610  Ubiquitin                                                                                                                         96.20   76 100.00 100.00 4.71e-46 
      BMRB        18611  Ubiquitin_A_state                                                                                                                 96.20   76 100.00 100.00 4.71e-46 
      BMRB        18737  UBIQUITIN                                                                                                                         96.20   76 100.00 100.00 4.71e-46 
      BMRB        19399  Ubiquitin                                                                                                                         96.20   76 100.00 100.00 4.71e-46 
      BMRB        19406  entity                                                                                                                            96.20  152 100.00 100.00 4.68e-45 
      BMRB        19412  entity                                                                                                                            96.20  152 100.00 100.00 4.68e-45 
      BMRB        19447  Ubiquitin                                                                                                                         96.20   76 100.00 100.00 4.71e-46 
      BMRB        25070  Ubiquitin                                                                                                                        100.00   79 100.00 100.00 1.02e-48 
      BMRB        25230  Ubiquitin                                                                                                                         98.73   78 100.00 100.00 6.76e-48 
      BMRB         4245  ubiquitin                                                                                                                         96.20   76 100.00 100.00 4.71e-46 
      BMRB         4375  Ubiquitin                                                                                                                         96.20   76 100.00 100.00 4.71e-46 
      BMRB         4983  Ubiquitin                                                                                                                         94.94   76  97.33 100.00 3.82e-44 
      BMRB         5101  uq1_51                                                                                                                            65.82   53  98.08  98.08 1.89e-26 
      BMRB         5387  ubq                                                                                                                               96.20   76 100.00 100.00 4.71e-46 
      BMRB         6457  Ub                                                                                                                                96.20   76 100.00 100.00 4.71e-46 
      BMRB         6466  Ub                                                                                                                                96.20   76 100.00 100.00 4.71e-46 
      BMRB         6470  Ub                                                                                                                                96.20   76 100.00 100.00 4.71e-46 
      BMRB         6488  Ub                                                                                                                                96.20   76 100.00 100.00 4.71e-46 
      BMRB           68  ubiquitin                                                                                                                         96.20   76 100.00 100.00 4.71e-46 
      BMRB         7111  human_ubiquitin                                                                                                                   96.20   76 100.00 100.00 4.71e-46 
      PDB  1AAR          "Structure Of A Diubiquitin Conjugate And A Model For Interaction With Ubiquitin Conjugating Enzyme (E2)"                          96.20   76 100.00 100.00 4.71e-46 
      PDB  1CMX          "Structural Basis For The Specificity Of Ubiquitin C- Terminal Hydrolases"                                                         94.94   76 100.00 100.00 3.20e-45 
      PDB  1D3Z          "Ubiquitin Nmr Structure"                                                                                                          96.20   76 100.00 100.00 4.71e-46 
      PDB  1F9J          "Structure Of A New Crystal Form Of Tetraubiquitin"                                                                                96.20   76 100.00 100.00 4.71e-46 
      PDB  1FXT          "Structure Of A Conjugating Enzyme-Ubiquitin Thiolester Complex"                                                                   96.20   76 100.00 100.00 4.71e-46 
      PDB  1G6J          "Structure Of Recombinant Human Ubiquitin In Aot Reverse Micelles"                                                                 94.94   76 100.00 100.00 4.58e-45 
      PDB  1GJZ          "Solution Structure Of A Dimeric N-Terminal Fragment Of Human Ubiquitin"                                                           65.82   53  98.08  98.08 1.89e-26 
      PDB  1NBF          "Crystal Structure Of A Ubp-Family Deubiquitinating Enzyme In Isolation And In Complex With Ubiquitin Aldehyde"                    94.94   76 100.00 100.00 3.20e-45 
      PDB  1OGW          "Synthetic Ubiquitin With Fluoro-Leu At 50 And 67"                                                                                 96.20   76  97.37  97.37 2.29e-44 
      PDB  1P3Q          "Mechanism Of Ubiquitin Recognition By The Cue Domain Of Vps9"                                                                     96.20   76 100.00 100.00 4.71e-46 
      PDB  1Q5W          "Ubiquitin Recognition By Npl4 Zinc-Fingers"                                                                                       96.20   76 100.00 100.00 4.71e-46 
      PDB  1S1Q          "Tsg101(Uev) Domain In Complex With Ubiquitin"                                                                                     94.94   76 100.00 100.00 4.58e-45 
      PDB  1TBE          "Structure Of Tetraubiquitin Shows How Multiubiquitin Chains Can Be Formed"                                                        96.20   76 100.00 100.00 4.71e-46 
      PDB  1UBI          "Synthetic Structural And Biological Studies Of The Ubiquitin System. Part 1"                                                      96.20   76 100.00 100.00 4.71e-46 
      PDB  1UBQ          "Structure Of Ubiquitin Refined At 1.8 Angstroms Resolution"                                                                       96.20   76 100.00 100.00 4.71e-46 
      PDB  1UZX          "A Complex Of The Vps23 Uev With Ubiquitin"                                                                                        96.20   76 100.00 100.00 4.71e-46 
      PDB  1V80          "Solution Structures Of Ubiquitin At 30 Bar And 3 Kbar"                                                                            96.20   76 100.00 100.00 4.71e-46 
      PDB  1V81          "Solution Structures Of Ubiquitin At 30 Bar And 3 Kbar"                                                                            96.20   76 100.00 100.00 4.71e-46 
      PDB  1VX7          "Cryo-em Structure Of The Plasmodium Falciparum 80s Ribosome Bound To The Anti-protozoan Drug Emetine, Large Subunit (protein On"  96.20  128  98.68 100.00 9.91e-46 
      PDB  1WR6          "Crystal Structure Of Gga3 Gat Domain In Complex With Ubiquitin"                                                                   96.20   76 100.00 100.00 4.71e-46 
      PDB  1WRD          "Crystal Structure Of Tom1 Gat Domain In Complex With Ubiquitin"                                                                   96.20   76 100.00 100.00 4.71e-46 
      PDB  1XD3          "Crystal Structure Of Uchl3-Ubvme Complex"                                                                                         94.94   75 100.00 100.00 3.11e-45 
      PDB  1XQQ          "Simultaneous Determination Of Protein Structure And Dynamics"                                                                     96.20   76 100.00 100.00 4.71e-46 
      PDB  1YD8          "Complex Of Human Gga3 Gat Domain And Ubiquitin"                                                                                   96.20   76 100.00 100.00 4.71e-46 
      PDB  1YIW          "X-Ray Crystal Structure Of A Chemically Synthesized Ubiquitin"                                                                    96.20   76  98.68 100.00 2.09e-45 
      PDB  1YJ1          "X-Ray Crystal Structure Of A Chemically Synthesized [d-Gln35]ubiquitin"                                                           96.20   76  97.37  98.68 2.32e-44 
      PDB  1YX5          "Solution Structure Of S5a Uim-1UBIQUITIN COMPLEX"                                                                                 96.20   98 100.00 100.00 2.87e-46 
      PDB  1YX6          "Solution Structure Of S5a Uim-2UBIQUITIN COMPLEX"                                                                                 96.20   98 100.00 100.00 2.87e-46 
      PDB  1ZGU          "Solution Structure Of The Human Mms2-Ubiquitin Complex"                                                                           96.20   76  98.68 100.00 1.30e-45 
      PDB  2AYO          "Structure Of Usp14 Bound To Ubquitin Aldehyde"                                                                                    94.94   76 100.00 100.00 3.20e-45 
      PDB  2BGF          "Nmr Structure Of Lys48-Linked Di-Ubiquitin Using Chemical Shift Perturbation Data Together With Rdcs And 15n- Relaxation Data"    96.20   76 100.00 100.00 4.71e-46 
      PDB  2C7M          "Human Rabex-5 Residues 1-74 In Complex With Ubiquitin"                                                                            96.20   76 100.00 100.00 4.71e-46 
      PDB  2C7N          "Human Rabex-5 Residues 1-74 In Complex With Ubiquitin"                                                                            96.20   76 100.00 100.00 4.71e-46 
      PDB  2D3G          "Double Sided Ubiquitin Binding Of Hrs-Uim"                                                                                        96.20   76 100.00 100.00 4.71e-46 
      PDB  2DEN          "Solution Structure Of The Ubiquitin-Associated Domain Of Human Bmsc-Ubp And Its Complex With Ubiquitin"                           96.20   76 100.00 100.00 4.71e-46 
      PDB  2DX5          "The Complex Structure Between The Mouse Eap45-Glue Domain And Ubiquitin"                                                          96.20   76 100.00 100.00 4.71e-46 
      PDB  2FCM          "X-Ray Crystal Structure Of A Chemically Synthesized [d-Gln35]ubiquitin With A Cubic Space Group"                                  96.20   76  97.37  98.68 2.32e-44 
      PDB  2FCN          "X-Ray Crystal Structure Of A Chemically Synthesized [d-Val35]ubiquitin With A Cubic Space Group"                                  96.20   76  97.37  98.68 2.32e-44 
      PDB  2FCQ          "X-Ray Crystal Structure Of A Chemically Synthesized Ubiquitin With A Cubic Space Group"                                           96.20   76  98.68 100.00 2.09e-45 
      PDB  2FCS          "X-Ray Crystal Structure Of A Chemically Synthesized [l-Gln35]ubiquitin With A Cubic Space Group"                                  96.20   76  97.37  98.68 2.61e-44 
      PDB  2FID          "Crystal Structure Of A Bovine Rabex-5 Fragment Complexed With Ubiquitin"                                                          96.20   76 100.00 100.00 4.71e-46 
      PDB  2FIF          "Crystal Structure Of A Bovine Rabex-5 Fragment Complexed With Ubiquitin"                                                          96.20   76 100.00 100.00 4.71e-46 
      PDB  2FUH          "Solution Structure Of The Ubch5cUB NON-Covalent Complex"                                                                          96.20   76 100.00 100.00 4.71e-46 
      PDB  2G45          "Co-Crystal Structure Of Znf Ubp Domain From The Deubiquitinating Enzyme Isopeptidase T (Isot) In Complex With Ubiquitin"          96.20   76 100.00 100.00 4.71e-46 
      PDB  2GMI           Mms2UBC13~UBIQUITIN                                                                                                               96.20   76 100.00 100.00 4.71e-46 
      PDB  2HD5          "Usp2 In Complex With Ubiquitin"                                                                                                   96.20   76 100.00 100.00 4.71e-46 
      PDB  2HTH          "Structural Basis For Ubiquitin Recognition By The Human Eap45ESCRT-Ii Glue Domain"                                                96.20   76 100.00 100.00 4.71e-46 
      PDB  2IBI          "Covalent Ubiquitin-Usp2 Complex"                                                                                                  94.94   75 100.00 100.00 3.11e-45 
      PDB  2J7Q          "Crystal Structure Of The Ubiquitin-Specific Protease Encoded By Murine Cytomegalovirus Tegument Protein M48 In Complex With A U"  94.94   75 100.00 100.00 3.11e-45 
      PDB  2JF5          "Crystal Structure Of Lys63-Linked Di-Ubiquitin"                                                                                   96.20   76 100.00 100.00 4.71e-46 
      PDB  2JRI          "Solution Structure Of The Josephin Domain Of Ataxin-3 In Complex With Ubiquitin Molecule."                                        96.20   76 100.00 100.00 4.71e-46 
      PDB  2JY6          "Solution Structure Of The Complex Of Ubiquitin And Ubiquilin 1 Uba Domain"                                                        96.20   76 100.00 100.00 4.71e-46 
      PDB  2JZZ          "Solid-State Nmr Structure Of Microcrystalline Ubiquitin"                                                                          96.20   76 100.00 100.00 4.71e-46 
      PDB  2K25          "Automated Nmr Structure Of The Ubb By Fapsy"                                                                                      94.94  103  98.67 100.00 5.80e-44 
      PDB  2K39          "Recognition Dynamics Up To Microseconds Revealed From Rdc Derived Ubiquitin Ensemble In Solution"                                 96.20   76 100.00 100.00 4.71e-46 
      PDB  2K6D          "Cin85 Sh3-C Domain In Complex With Ubiquitin"                                                                                     94.94   76 100.00 100.00 3.06e-45 
      PDB  2K8B          "Solution Structure Of Plaa Family Ubiquitin Binding Domain (Pfuc) Cis Isomer In Complex With Ubiquitin"                           96.20   76 100.00 100.00 4.71e-46 
      PDB  2K8C          "Solution Structure Of Plaa Family Ubiquitin Binding Domain (Pfuc) Trans Isomer In Complex With Ubiquitin"                         96.20   76 100.00 100.00 4.71e-46 
      PDB  2KDE          "Nmr Structure Of Major S5a (196-306):k48 Linked Diubiquitin Species"                                                              96.20   76 100.00 100.00 4.71e-46 
      PDB  2KDF          "Nmr Structure Of Minor S5a (196-306):k48 Linked Diubiquitin Species"                                                              96.20   76 100.00 100.00 4.71e-46 
      PDB  2KHW          "Solution Structure Of The Human Polymerase Iota Ubm2- Ubiquitin Complex"                                                         100.00   79 100.00 100.00 1.02e-48 
      PDB  2KJH          "Nmr Based Structural Model Of The Ubch8-Ubiquitin Complex"                                                                        94.94   76 100.00 100.00 3.06e-45 
      PDB  2KLG          "Pere Nmr Structure Of Ubiquitin"                                                                                                  96.20   76 100.00 100.00 4.71e-46 
      PDB  2KN5          "A Correspondence Between Solution-State Dynamics Of An Individual Protein And The Sequence And Conformational Diversity Of Its "  96.20   76 100.00 100.00 4.71e-46 
      PDB  2KOX          "Nmr Residual Dipolar Couplings Identify Long Range Correlated Motions In The Backbone Of The Protein Ubiquitin"                   96.20   76 100.00 100.00 4.71e-46 
      PDB  2KTF          "Solution Nmr Structure Of Human Polymerase Iota Ubm2 In Complex With Ubiquitin"                                                   96.20   76 100.00 100.00 4.71e-46 
      PDB  2KWU          "Solution Structure Of Ubm2 Of Murine Polymerase Iota In Complex With Ubiquitin"                                                   96.20   76 100.00 100.00 4.71e-46 
      PDB  2KWV          "Solution Structure Of Ubm1 Of Murine Polymerase Iota In Complex With Ubiquitin"                                                   96.20   76 100.00 100.00 4.71e-46 
      PDB  2KX0          "The Solution Structure Of Ubb+1, Frameshift Mutant Of Ubiquitin B"                                                                94.94  103  98.67 100.00 5.80e-44 
      PDB  2L0F          "Solution Nmr Structure Of Human Polymerase Iota Ubm2 (P692a Mutant) In Complex With Ubiquitin"                                    96.20   76 100.00 100.00 4.71e-46 
      PDB  2L0T          "Solution Structure Of The Complex Of Ubiquitin And The Vhs Domain Of Stam2"                                                       96.20   76 100.00 100.00 4.71e-46 
      PDB  2L3Z          "Proton-Detected 4d Dream Solid-State Nmr Structure Of Ubiquitin"                                                                  96.20   76 100.00 100.00 4.71e-46 
      PDB  2LD9          "Backbone Structure Of Ubiquitin Determined Using Backbone Amide Noes And Backbone N-H And N-C Rdcs"                               96.20   77 100.00 100.00 6.29e-46 
      PDB  2LJ5          "Description Of The Structural Fluctuations Of Proteins From Structure- Based Calculations Of Residual Dipolar Couplings"          96.20   76 100.00 100.00 4.71e-46 
      PDB  2LVO          "Structure Of The Gp78cue Domain Bound To Monubiquitin"                                                                            96.20   76 100.00 100.00 4.71e-46 
      PDB  2LVP          "Gp78cue Domain Bound To The Distal Ubiquitin Of K48-Linked Diubiquitin"                                                           96.20   76 100.00 100.00 4.71e-46 
      PDB  2LVQ          "Gp78cue Domain Bound To The Proximal Ubiquitin Of K48-Linked Diubiquitin"                                                         96.20   76 100.00 100.00 4.71e-46 
      PDB  2LZ6          "Distinct Ubiquitin Binding Modes Exhibited By Sh3 Domains: Molecular Determinants And Functional Implications"                    96.20   76 100.00 100.00 4.71e-46 
      PDB  2MBB          "Solution Structure Of The Human Polymerase Iota Ubm1-ubiquitin Complex"                                                           98.73   78 100.00 100.00 6.76e-48 
      PDB  2MBH          "Nmr Structure Of Eklf(22-40)/ubiquitin Complex"                                                                                   96.20   76 100.00 100.00 4.71e-46 
      PDB  2MBO          "K11-linked Diubiquitin Average Solution Structure At Ph 6.8, 0 Mm Nacl"                                                           96.20   76 100.00 100.00 4.71e-46 
      PDB  2MBQ          "K11-linked Diubiquitin Average Solution Structure At Ph 6.8, 150 Mm Nacl"                                                         96.20   76 100.00 100.00 4.71e-46 
      PDB  2MCN          "Distinct Ubiquitin Binding Modes Exhibited By Sh3 Domains: Molecular Determinants And Functional Implications"                    96.20   76 100.00 100.00 4.71e-46 
      PDB  2MJ5          "Structure Of The Uba Domain Of Human Nbr1 In Complex With Ubiquitin"                                                              96.20   76 100.00 100.00 4.71e-46 
      PDB  2MJB          "Solution Nmr Structure Of Ubiquitin Refined Against Dipolar Couplings In 4 Media"                                                 96.20   76 100.00 100.00 4.71e-46 
      PDB  2MOR          "A Tensor-free Method For The Structural And Dynamical Refinement Of Proteins Using Residual Dipolar Couplings"                    96.20   76 100.00 100.00 4.71e-46 
      PDB  2MRE          "Nmr Structure Of The Rad18-ubz/ubiquitin Complex"                                                                                100.00   79 100.00 100.00 1.02e-48 
      PDB  2MUR          "Solution Structure Of The Human Faap20 Ubz-ubiquitin Complex"                                                                     98.73   78 100.00 100.00 6.76e-48 
      PDB  2NR2          "The Mumo (Minimal Under-Restraining Minimal Over- Restraining) Method For The Determination Of Native States Ensembles Of Prote"  96.20   76 100.00 100.00 4.71e-46 
      PDB  2O6V          "Crystal Structure And Solution Nmr Studies Of Lys48-Linked Tetraubiquitin At Neutral Ph"                                          96.20   76 100.00 100.00 4.71e-46 
      PDB  2OJR          "Structure Of Ubiquitin Solved By Sad Using The Lanthanide- Binding Tag"                                                           96.20  111 100.00 100.00 2.03e-45 
      PDB  2OOB          "Crystal Structure Of The Uba Domain From Cbl-B Ubiquitin Ligase In Complex With Ubiquitin"                                        96.20   76 100.00 100.00 4.71e-46 
      PDB  2PE9          "Nmr Based Structure Of The Open Conformation Of Lys48- Linked Di-Ubiquitin Using Experimental Global Rotational Diffusion Tenso"  96.20   76 100.00 100.00 4.71e-46 
      PDB  2PEA          "Nmr Based Structure Of The Closed Conformation Of Lys48- Linked Di-Ubiquitin Using Experimental Global Rotational Diffusion Ten"  96.20   76 100.00 100.00 4.71e-46 
      PDB  2QHO          "Crystal Structure Of The Uba Domain From Edd Ubiquitin Ligase In Complex With Ubiquitin"                                          96.20   76 100.00 100.00 4.71e-46 
      PDB  2RR9          "The Solution Structure Of The K63-Ub2:tuims Complex"                                                                              96.20   76 100.00 100.00 4.71e-46 
      PDB  2RSU          "Alternative Structure Of Ubiquitin"                                                                                               96.20   76  98.68  98.68 2.52e-45 
      PDB  2RU6          "The Pure Alternative State Of Ubiquitin"                                                                                          96.20   76  98.68  98.68 2.52e-45 
      PDB  2W9N          "Crystal Structure Of Linear Di-Ubiquitin"                                                                                         94.94  152 100.00 100.00 4.56e-44 
      PDB  2WDT          "Crystal Structure Of Plasmodium Falciparum Uchl3 In Complex With The Suicide Inhibitor Ubvme"                                     94.94   76 100.00 100.00 3.20e-45 
      PDB  2WWZ          "Tab2 Nzf Domain In Complex With Lys63-Linked Di-Ubiquitin, P212121"                                                               96.20   76 100.00 100.00 4.71e-46 
      PDB  2WX0          "Tab2 Nzf Domain In Complex With Lys63-Linked Di-Ubiquitin, P21"                                                                   96.20   76 100.00 100.00 4.71e-46 
      PDB  2WX1          "Tab2 Nzf Domain In Complex With Lys63-Linked Tri-Ubiquitin, P212121"                                                              96.20   76 100.00 100.00 4.71e-46 
      PDB  2XBB          "Nedd4 Hect:ub Complex"                                                                                                            96.20   76 100.00 100.00 4.71e-46 
      PDB  2XEW          "Crystal Structure Of K11-Linked Diubiquitin"                                                                                      96.20   76 100.00 100.00 4.71e-46 
      PDB  2XK5          "Crystal Structure Of K6-Linked Diubiquitin"                                                                                       96.20   76 100.00 100.00 4.71e-46 
      PDB  2Y5B          "Structure Of Usp21 In Complex With Linear Diubiquitin-Aldehyde"                                                                   94.94  152 100.00 100.00 3.22e-44 
      PDB  2Z59          "Complex Structures Of Mouse Rpn13 (22-130aa) And Ubiquitin"                                                                       96.20   76 100.00 100.00 4.71e-46 
      PDB  2ZCB          "Crystal Structure Of Ubiquitin P37aP38A"                                                                                          96.20   76  97.37  97.37 2.67e-44 
      PDB  2ZCC          "Ubiquitin Crystallized Under High Pressure"                                                                                       96.20   76 100.00 100.00 4.71e-46 
      PDB  2ZNV          "Crystal Structure Of Human Amsh-Lp Dub Domain In Complex With Lys63-Linked Ubiquitin Dimer"                                       96.20   77 100.00 100.00 6.15e-46 
      PDB  2ZVN          "Nemo Cozi Domain Incomplex With Diubiquitin In P212121 Space Group"                                                               96.20  154 100.00 100.00 4.75e-45 
      PDB  2ZVO          "Nemo Cozi Domain In Complex With Diubiquitin In C2 Space Group"                                                                   96.20  154 100.00 100.00 4.75e-45 
      PDB  3A1Q          "Crystal Structure Of The Mouse Rap80 Uims In Complex With Lys63-Linked Di-Ubiquitin"                                              96.20   77 100.00 100.00 6.15e-46 
      PDB  3A33          "Ubch5b~ubiquitin Conjugate"                                                                                                       96.20   76 100.00 100.00 4.71e-46 
      PDB  3A9J          "Crystal Structure Of The Mouse Tab2-Nzf In Complex With Lys63-Linked Di-Ubiquitin"                                                96.20   77 100.00 100.00 6.15e-46 
      PDB  3A9K          "Crystal Structure Of The Mouse Tab3-Nzf In Complex With Lys63-Linked Di-Ubiquitin"                                                96.20   77 100.00 100.00 6.15e-46 
      PDB  3AI5          "Crystal Structure Of Yeast Enhanced Green Fluorescent Protein- Ubiquitin Fusion Protein"                                          93.67  307 100.00 100.00 1.33e-41 
      PDB  3ALB          "Cyclic Lys48-Linked Tetraubiquitin"                                                                                               96.20   76 100.00 100.00 4.71e-46 
      PDB  3AUL          "Crystal Structure Of Wild-Type Lys48-Linked Diubiquitin In An Open Conformation"                                                  96.20   76 100.00 100.00 4.71e-46 
      PDB  3AXC          "Crystal Structure Of Linear Diubiquitin"                                                                                          96.20  154 100.00 100.00 4.75e-45 
      PDB  3B08          "Crystal Structure Of The Mouse Hoil1-l-nzf In Complex With Linear Di- Ubiquitin"                                                  96.20  152 100.00 100.00 4.68e-45 
      PDB  3B0A          "Crystal Structure Of The Mouse Hoil1-l-nzf In Complex With Linear Di- Ubiquitin"                                                  96.20  152 100.00 100.00 4.68e-45 
      PDB  3BY4          "Structure Of Ovarian Tumor (Otu) Domain In Complex With Ubiquitin"                                                                94.94   75 100.00 100.00 3.11e-45 
      PDB  3C0R          "Structure Of Ovarian Tumor (Otu) Domain In Complex With Ubiquitin"                                                                94.94   75 100.00 100.00 3.11e-45 
      PDB  3DVG          "Crystal Structure Of K63-Specific Fab Apu.3a8 Bound To K63-Linked Di- Ubiquitin"                                                 100.00   80 100.00 100.00 1.28e-48 
      PDB  3DVN          "Crystal Structure Of K63-specific Fab Apu2.16 Bound To K63-linked Di- Ubiquitin"                                                 100.00   80 100.00 100.00 1.28e-48 
      PDB  3EEC          "X-Ray Structure Of Human Ubiquitin Cd(Ii) Adduct"                                                                                 96.20   76 100.00 100.00 4.71e-46 
      PDB  3EFU          "X-Ray Structure Of Human Ubiquitin-Hg(Ii) Adduct"                                                                                 96.20   76 100.00 100.00 4.71e-46 
      PDB  3EHV          "X-Ray Structure Of Human Ubiquitin Zn(Ii) Adduct"                                                                                 96.20   76 100.00 100.00 4.71e-46 
      PDB  3H1U          "Structure Of Ubiquitin In Complex With Cd Ions"                                                                                   96.20   76 100.00 100.00 4.71e-46 
      PDB  3H7P          "Crystal Structure Of K63-Linked Di-Ubiquitin"                                                                                     96.20   76 100.00 100.00 4.71e-46 
      PDB  3H7S          "Crystal Structures Of K63-Linked Di- And Tri-Ubiquitin Reveal A Highly Extended Chain Architecture"                               96.20   76  98.68  98.68 2.25e-43 
      PDB  3HM3          "The Structure And Conformation Of Lys-63 Linked Tetra-Ubiquitin"                                                                  96.20   76 100.00 100.00 4.71e-46 
      PDB  3I3T          "Crystal Structure Of Covalent Ubiquitin-usp21 Complex"                                                                            94.94   75 100.00 100.00 3.11e-45 
      PDB  3IFW          "Crystal Structure Of The S18y Variant Of Ubiquitin Carboxy T Hydrolase L1 Bound To Ubiquitin Vinylmethylester."                   94.94   75 100.00 100.00 3.11e-45 
      PDB  3IHP          "Covalent Ubiquitin-Usp5 Complex"                                                                                                  94.94   75 100.00 100.00 3.11e-45 
      PDB  3JSV          "Crystal Structure Of Mouse Nemo Cozi In Complex With Lys63- Linked Di-Ubiquitin"                                                  96.20   77 100.00 100.00 6.15e-46 
      PDB  3JVZ           E2~ubiquitin-Hect                                                                                                                100.00   81  97.47  97.47 1.01e-46 
      PDB  3JW0           E2~ubiquitin-Hect                                                                                                                100.00   81  97.47  97.47 1.01e-46 
      PDB  3K9O          "The Crystal Structure Of E2-25k And Ubb+1 Complex"                                                                                94.94   96 100.00 100.00 1.17e-44 
      PDB  3K9P          "The Crystal Structure Of E2-25k And Ubiquitin Complex"                                                                           100.00   79 100.00 100.00 1.02e-48 
      PDB  3KVF          "Crystal Structure Of The I93m Mutant Of Ubiquitin Carboxy Te Hydrolase L1 Bound To Ubiquitin Vinylmethylester"                    94.94   75 100.00 100.00 3.11e-45 
      PDB  3KW5          "Crystal Structure Of Ubiquitin Carboxy Terminal Hydrolase L1 Ubiquitin Vinylmethylester"                                          94.94   75 100.00 100.00 3.11e-45 
      PDB  3LDZ          "Crystal Structure Of Human Stam1 Vhs Domain In Complex With Ubiquitin"                                                            92.41   73 100.00 100.00 1.47e-43 
      PDB  3M3J          "A New Crystal Form Of Lys48-Linked Diubiquitin"                                                                                   96.20   76 100.00 100.00 4.71e-46 
      PDB  3MHS          "Structure Of The Saga Ubp8SGF11SUS1SGF73 DUB MODULE BOUND Ubiquitin Aldehyde"                                                     94.94   76 100.00 100.00 3.20e-45 
      PDB  3MTN          "Usp21 In Complex With A Ubiquitin-based, Usp21-specific Inhibitor"                                                                88.61   85  98.57  98.57 1.69e-40 
      PDB  3N30          "Crystal Structure Of Cubic Zn3-Hub (Human Ubiquitin) Adduct"                                                                      96.20   76 100.00 100.00 4.71e-46 
      PDB  3N32          "The Crystal Structure Of Human Ubiquitin Adduct With Zeise's Salt"                                                                96.20   76 100.00 100.00 4.71e-46 
      PDB  3NHE          "High Resolution Structure (1.26a) Of Usp2a In Complex With Ubiquitin"                                                             96.20   76 100.00 100.00 4.71e-46 
      PDB  3NOB          "Structure Of K11-linked Di-ubiquitin"                                                                                             98.73   78 100.00 100.00 6.76e-48 
      PDB  3NS8          "Crystal Structure Of An Open Conformation Of Lys48-Linked Diubiquitin At Ph 7.5"                                                  96.20   76 100.00 100.00 4.71e-46 
      PDB  3O65          "Crystal Structure Of A Josephin-Ubiquitin Complex: Evolutionary Restraints On Ataxin-3 Deubiquitinating Activity"                 94.94   76 100.00 100.00 3.20e-45 
      PDB  3OFI          "Crystal Structure Of Human Insulin-Degrading Enzyme In Complex With Ubiquitin"                                                    96.20   76 100.00 100.00 4.71e-46 
      PDB  3OJ3          "Crystal Structure Of The A20 Znf4 And Ubiquitin Complex"                                                                         100.00   79 100.00 100.00 1.02e-48 
      PDB  3OJ4          "Crystal Structure Of The A20 Znf4, Ubiquitin And Ubch5a Complex"                                                                 100.00   79 100.00 100.00 1.02e-48 
      PDB  3ONS          "Crystal Structure Of Human Ubiquitin In A New Crystal Form"                                                                       91.14   72 100.00 100.00 5.68e-43 
      PDB  3PHD          "Crystal Structure Of Human Hdac6 In Complex With Ubiquitin"                                                                       96.20   76 100.00 100.00 4.71e-46 
      PDB  3PHW          "Otu Domain Of Crimean Congo Hemorrhagic Fever Virus In Complex With Ubiquitin"                                                    94.94   75 100.00 100.00 3.11e-45 
      PDB  3PRM          "Structural Analysis Of A Viral Otu Domain Protease From The Crimean- Congo Hemorrhagic Fever Virus In Complex With Human Ubiqui"  94.94   75 100.00 100.00 3.11e-45 
      PDB  3PRP          "Structural Analysis Of A Viral Otu Domain Protease From The Crimean- Congo Hemorrhagic Fever Virus In Complex With Human Ubiqui"  94.94   75 100.00 100.00 3.11e-45 
      PDB  3PT2          "Structure Of A Viral Otu Domain Protease Bound To Ubiquitin"                                                                      94.94   75 100.00 100.00 3.11e-45 
      PDB  3PTF          "X-Ray Structure Of The Non-Covalent Complex Between Ubch5a And Ubiquitin"                                                        100.00   79 100.00 100.00 1.02e-48 
      PDB  3Q3F          "Engineering Domain-Swapped Binding Interfaces By Mutually Exclusive Folding: Insertion Of Ubiquitin Into Position 103 Of Barnas"  94.94  189 100.00 100.00 4.16e-44 
      PDB  3RUL          "New Strategy To Analyze Structures Of Glycopeptide-Target Complexes"                                                              94.94   79 100.00 100.00 3.44e-45 
      PDB  3TBL          "Structure Of Mono-ubiquitinated Pcna: Implications For Dna Polymerase Switching And Okazaki Fragment Maturation"                  96.20   76 100.00 100.00 4.71e-46 
      PDB  3TMP          "The Catalytic Domain Of Human Deubiquitinase Duba In Complex With Ubiquitin Aldehyde"                                             94.94   76 100.00 100.00 3.20e-45 
      PDB  3U30          "Crystal Structure Of A Linear-Specific Ubiquitin Fab Bound To Linear Ubiquitin"                                                   96.20  172 100.00 100.00 6.72e-45 
      PDB  3UGB          "Ubch5c~ubiquitin Conjugate"                                                                                                       96.20   76 100.00 100.00 4.71e-46 
      PDB  3VDZ          "Tailoring Encodable Lanthanide-Binding Tags As Mri Contrast Agents: Xq-Dse3-Ubiquitin At 2.4 Angstroms"                           96.20  111 100.00 100.00 9.90e-46 
      PDB  3VFK          "The Structure Of Monodechloro-teicoplanin In Complex With Its Ligand, Using Ubiquitin As A Ligand Carrier"                        94.94   79 100.00 100.00 3.44e-45 
      PDB  3VHT          "Crystal Structure Of Gfp-Wrnip1 Ubz Domain Fusion Protein In Complex With Ubiquitin"                                              96.20   76 100.00 100.00 4.71e-46 
      PDB  3VUW          "Crystal Structure Of A20 Zf7 In Complex With Linear Ubiquitin, Form I"                                                            96.20   76 100.00 100.00 4.71e-46 
      PDB  3VUX          "Crystal Structure Of A20 Zf7 In Complex With Linear Ubiquitin, Form Ii"                                                           96.20   76 100.00 100.00 4.71e-46 
      PDB  3VUY          "Crystal Structure Of A20 Zf7 In Complex With Linear Tetraubiquitin"                                                               96.20   76 100.00 100.00 4.71e-46 
      PDB  3ZLZ          "Lys6-linked Tri-ubiquitin"                                                                                                        96.20   76  98.68 100.00 1.30e-45 
      PDB  3ZNH          "Crimean Congo Hemorrhagic Fever Virus Otu Domain In Complex With Ubiquitin-propargyl."                                            94.94   76 100.00 100.00 3.20e-45 
      PDB  3ZNI          "Structure Of Phosphotyr363-cbl-b - Ubch5b-ub - Zap-70 Peptide Complex"                                                           100.00   81  97.47  97.47 1.01e-46 
      PDB  3ZNZ          "Crystal Structure Of Otulin Otu Domain (c129a) In Complex With Met1-di Ubiquitin"                                                 96.20  152 100.00 100.00 4.68e-45 
      PDB  4A18          "T.Thermophila 60s Ribosomal Subunit In Complex With Initiation Factor 6. This File Contains 26s Rrna And Proteins Of Molecule 1"  96.20  129  97.37  98.68 1.52e-44 
      PDB  4A19          "T.Thermophila 60s Ribosomal Subunit In Complex With Initiation Factor 6. This File Contains 26s Rrna And Proteins Of Molecule 2"  96.20  129  97.37  98.68 1.52e-44 
      PDB  4A1B          "T.Thermophila 60s Ribosomal Subunit In Complex With Initiation Factor 6. This File Contains 26s Rrna And Proteins Of Molecule 3"  96.20  129  97.37  98.68 1.52e-44 
      PDB  4A1D          "T.Thermophila 60s Ribosomal Subunit In Complex With Initiation Factor 6. This File Contains 26s Rrna And Proteins Of Molecule 4"  96.20  129  97.37  98.68 1.52e-44 
      PDB  4ADX          "The Cryo-em Structure Of The Archaeal 50s Ribosomal Subunit In Complex With Initiation Factor 6"                                  96.20  129  97.37  98.68 1.52e-44 
      PDB  4AP4          "Rnf4 - Ubch5a - Ubiquitin Heterotrimeric Complex"                                                                                 96.20   80 100.00 100.00 5.26e-46 
      PDB  4AUQ          "Structure Of Birc7-Ubch5b-Ub Complex."                                                                                           100.00   81  97.47  97.47 1.01e-46 
      PDB  4BBN          "Nedd4 Hect-ub:ub Complex"                                                                                                         96.20   76 100.00 100.00 4.71e-46 
      PDB  4BOS          "Structure Of Otud2 Otu Domain In Complex With Ubiquitin K11- Linked Peptide"                                                      96.20   76 100.00 100.00 4.71e-46 
      PDB  4BOZ          "Structure Of Otud2 Otu Domain In Complex With K11-linked Di Ubiquitin"                                                            96.20   76 100.00 100.00 4.71e-46 
      PDB  4BVU          "Structure Of Shigella Effector Ospg In Complex With Host Ubch5c-ubiquitin Conjugate"                                              96.20   76 100.00 100.00 4.71e-46 
      PDB  4CXC          "Regulation Of The Mammalian Elongation Cycle By 40s Subunit Rolling: A Eukaryotic-specific Ribosome Rearrangement"                96.20  156 100.00 100.00 6.92e-46 
      PDB  4CXD          "Regulation Of The Mammalian Elongation Cycle By 40s Subunit Rolling: A Eukaryotic-specific Ribosome Rearrangement"                96.20  128 100.00 100.00 3.94e-46 
      PDB  4DDG          "Crystal Structure Of Human Otub1UBCH5B~UBUB"                                                                                      96.20   76 100.00 100.00 4.71e-46 
      PDB  4DDI          "Crystal Structure Of Human Otub1UBCH5B~UBUB"                                                                                      96.20   76 100.00 100.00 4.71e-46 
      PDB  4DHJ          "The Structure Of A Ceotub1 Ubiquitin Aldehyde Ubc13~ub Complex"                                                                   94.94   76 100.00 100.00 3.06e-45 
      PDB  4DHZ          "The Structure Of HCEOTUB1-Ubiquitin Aldehyde-Ubc13~ub"                                                                            94.94   76 100.00 100.00 3.06e-45 
      PDB  4FJV          "Crystal Structure Of Human Otubain2 And Ubiquitin Complex"                                                                        98.73   86  98.72 100.00 2.68e-47 
      PDB  4HXD          "Diversity Of Ubiquitin And Isg15 Specificity Amongst Nairoviruses Viral Ovarian Tumor Domain Proteases"                           94.94   75 100.00 100.00 3.11e-45 
      PDB  4I6N          "Crystal Structure Of Trichinella Spiralis Uch37 Catalytic Domain Bound To Ubiquitin Vinyl Methyl Ester"                           93.67   75 100.00 100.00 3.16e-44 
      PDB  4IG7          "Crystal Structure Of Trichinella Spiralis Uch37 Bound To Ubiquitin Vinyl Methyl Ester"                                            94.94   75 100.00 100.00 3.11e-45 
      PDB  4IUM          "Equine Arteritis Virus Papain-like Protease 2 (plp2) Covalently Bound To Ubiquitin"                                               94.94   76 100.00 100.00 3.20e-45 
      PDB  4JIO          "Bro1 V Domain And Ubiquitin"                                                                                                      96.20   76  98.68  98.68 3.31e-45 
      PDB  4JQW          "Crystal Structure Of A Complex Of Nod1 Card And Ubiquitin"                                                                        96.20   76 100.00 100.00 4.71e-46 
      PDB  4K1R          "Crystal Structure Of Schizosaccharomyces Pombe Sst2 Catalytic Domain And Ubiquitin"                                               96.20   81 100.00 100.00 8.46e-46 
      PDB  4K7S          "Crystal Structure Of Zn2-hub (human Ubiquitin) Adduct From A Solution 35 Mm Zinc Acetate/1.3 Mm Hub"                              96.20   76 100.00 100.00 4.71e-46 
      PDB  4K7U          "Crystal Structure Of Zn2.3-hub (human Ubiquitin) Adduct From A Solution 70 Mm Zinc Acetate/1.3 Mm Hub"                            96.20   76 100.00 100.00 4.71e-46 
      PDB  4K7W          "Crystal Structure Of Zn3-hub(human Ubiquitin) Adduct From A Solution 100 Mm Zinc Acetate/1.3 Mm Hub"                              96.20   76 100.00 100.00 4.71e-46 
      PDB  4KSK          "Gumby/fam105b In Complex With Ubiquitin"                                                                                          96.20   80 100.00 100.00 5.26e-46 
      PDB  4KSL          "Gumby/fam105b In Complex With Linear Di-ubiquitin"                                                                                96.20  156 100.00 100.00 5.03e-45 
      PDB  4KZX          "Rabbit 40s Ribosomal Subunit In Complex With Eif1."                                                                               96.20  156 100.00 100.00 6.92e-46 
      PDB  4KZY          "Rabbit 40s Ribosomal Subunit In Complex With Eif1 And Eif1a."                                                                     96.20  156 100.00 100.00 6.92e-46 
      PDB  4KZZ          "Rabbit 40s Ribosomal Subunit In Complex With Mrna, Initiator Trna And Eif1a"                                                      96.20  156 100.00 100.00 6.92e-46 
      PDB  4LCD          "Structure Of An Rsp5xubxsna3 Complex: Mechanism Of Ubiquitin Ligation And Lysine Prioritization By A Hect E3"                     94.94   83 100.00 100.00 1.66e-45 
      PDB  4LDT          "The Structure Of H/ceotub1-ubiquitin Aldehyde-ubch5b~ub"                                                                          96.20   76 100.00 100.00 4.71e-46 
      PDB  4LJO          "Structure Of An Active Ligase (hoip)/ubiquitin Transfer Complex"                                                                  96.20   76 100.00 100.00 4.71e-46 
      PDB  4LJP          "Structure Of An Active Ligase (hoip-h889a)/ubiquitin Transfer Complex"                                                            96.20   76 100.00 100.00 4.71e-46 
      PDB  4M0W          "Crystal Structure Of Sars-cov Papain-like Protease C112s Mutant In Complex With Ubiquitin"                                        96.20   76 100.00 100.00 4.71e-46 
      PDB  4MDK          "Cdc34-ubiquitin-cc0651 Complex"                                                                                                   96.20   80 100.00 100.00 5.26e-46 
      PDB  4MM3          "Crystal Structure Of Sars-cov Papain-like Protease Plpro In Complex With Ubiquitin Aldehyde"                                      94.94   76 100.00 100.00 3.20e-45 
      PDB  4MSM          "Crystal Structure Of Schizosaccharomyces Pombe Amsh-like Protease Sst2 E286a Mutant Bound To Ubiquitin"                           96.20   81 100.00 100.00 8.46e-46 
      PDB  4MSQ          "Crystal Structure Of Schizosaccharomyces Pombe Amsh-like Protease Sst2 Catalytic Domain Bound To Ubiquitin"                       96.20   81 100.00 100.00 8.46e-46 
      PDB  4NQK          "Structure Of An Ubiquitin Complex"                                                                                               100.00   79  97.47  97.47 3.04e-46 
      PDB  4NQL          "The Crystal Structure Of The Dub Domain Of Amsh Orthologue, Sst2 From S. Pombe, In Complex With Lysine 63-linked Diubiquitin"     96.20   77 100.00 100.00 6.15e-46 
      PDB  4P4H          "Caught-in-action Signaling Complex Of Rig-i 2card Domain And Mavs Card Domain"                                                   100.00   79  97.47  97.47 3.04e-46 
      PDB  4PIG          "Crystal Structure Of The Ubiquitin K11s Mutant"                                                                                   96.20   76  98.68  98.68 2.33e-45 
      PDB  4PIH          "X-ray Crystal Structure Of The K33s Mutant Of Ubiquitin"                                                                          96.20   76  98.68  98.68 2.33e-45 
      PDB  4PIJ          "X-ray Crystal Structure Of The K11s/k63s Double Mutant Of Ubiquitin"                                                              94.94   75  97.33  97.33 5.88e-44 
      PDB  4PQT          "Insights Into The Mechanism Of Deubiquitination By Jamm Deubiquitinases From Co-crystal Structures Of Enzyme With Substrate And"  96.20   81 100.00 100.00 8.46e-46 
      PDB  4RF0          "Crystal Structure Of The Middle-east Respiratory Syndrome Coronavirus Papain-like Protease In Complex With Ubiquitin (space Gro"  94.94   75 100.00 100.00 3.11e-45 
      PDB  4RF1          "Crystal Structure Of The Middle-east Respiratory Syndrome Coronavirus Papain-like Protease In Complex With Ubiquitin (space Gro"  94.94   75 100.00 100.00 3.11e-45 
      PDB  4UN2          "Crystal Structure Of The Uba Domain Of Dsk2 In Complex With Ubiquitin"                                                            96.20   76 100.00 100.00 4.71e-46 
      PDB  4UPX          "Mammalian 80s Hcv-ires Initiation Complex With Eif5b Pre-like State"                                                              96.20  128 100.00 100.00 3.94e-46 
      PDB  4UQ1          "Mammalian 80s Hcv-ires Initiation Complex With Eif5b Post-like State"                                                             96.20  128 100.00 100.00 3.94e-46 
      PDB  4UQ4          "Mammalian 80s Hcv-ires Initiation Complex With Eif5b Post-like State"                                                             96.20  156 100.00 100.00 6.92e-46 
      PDB  4UQ5          "Mammalian 80s Hcv-ires Initiation Complex With Eif5b Pre-like State"                                                              96.20  156 100.00 100.00 6.92e-46 
      PDB  4W20          "Structure Of The Mammalian 60s Ribosomal Subunit (this Entry Contains The Large Ribosomal Proteins)"                              96.20  128 100.00 100.00 3.94e-46 
      PDB  4W22          "Structure Of The 80s Mammalian Ribosome Bound To Eef2 (this Entry Contains The Large Ribosomal Subunit Proteins)"                 96.20  128 100.00 100.00 3.94e-46 
      PDB  4W23          "Structure Of The 80s Mammalian Ribosome Bound To Eef2 (this Entry Contains The Small Ribosomal Subunit)"                          96.20  156 100.00 100.00 6.92e-46 
      PDB  4W25          "Structure Of The Idle Mammalian Ribosome-sec61 Complex (this Entry Contains The Large Ribosomal Subunit Proteins)"                96.20  128 100.00 100.00 3.94e-46 
      PDB  4W27          "Structure Of The Translating Mammalian Ribosome-sec61 Complex (this Entry Contains The Large Ribosomal Subunit Proteins)"         96.20  128 100.00 100.00 3.94e-46 
      PDB  4W28          "Structure Of The Translating Mammalian Ribosome-sec61 Complex (this Entry Contains The Small Ribosomal Subunit)"                  96.20  156 100.00 100.00 6.92e-46 
      PDB  4WUR          "The Crystal Structure Of The Mers-cov Papain-like Protease (c111s) With Human Ubiquitin"                                          96.20   76 100.00 100.00 4.71e-46 
      PDB  4WZP          "Ser65 Phosphorylated Ubiquitin, Major Conformation"                                                                               96.20   76  98.68  98.68 3.38e-45 
      DBJ  BAA03983      "polyubiquitin [Rattus norvegicus]"                                                                                                96.20  305 100.00 100.00 2.52e-43 
      DBJ  BAA09860      "polyubiquitin [Homo sapiens]"                                                                                                     96.20  611  98.68  98.68 1.41e-40 
      DBJ  BAA11842      "ubiquitin [Cavia porcellus]"                                                                                                      96.20  311 100.00 100.00 2.86e-43 
      DBJ  BAA11843      "ubiquitin extention protein [Cavia porcellus]"                                                                                    96.20  156 100.00 100.00 6.92e-46 
      DBJ  BAA23486      "polyubiquitin [Homo sapiens]"                                                                                                     96.20  609  98.68  98.68 6.14e-41 
      EMBL CAA26488      "unnamed protein product [Gallus gallus]"                                                                                          96.20  157  98.68  98.68 2.75e-44 
      EMBL CAA28495      "ubiquitin [Homo sapiens]"                                                                                                         96.20  229 100.00 100.00 4.48e-44 
      EMBL CAA30183      "unnamed protein product [Dictyostelium discoideum]"                                                                               96.20  128  97.37  97.37 7.07e-44 
      EMBL CAA30815      "unnamed protein product [Cricetulus sp.]"                                                                                         89.87  223 100.00 100.00 3.83e-40 
      EMBL CAA33466      "unnamed protein product [Chlamydomonas reinhardtii]"                                                                              96.20  128  97.37  98.68 1.46e-44 
      GB   AAA02769      "polyprotein [Bovine viral diarrhea virus 1-Osloss]"                                                                               94.94 3975  97.33 100.00 2.15e-39 
      GB   AAA28154      "polyubiquitin [Caenorhabditis elegans]"                                                                                           96.20  838  97.37  98.68 9.15e-40 
      GB   AAA28997      "ubiquitin [Drosophila melanogaster]"                                                                                              96.20  231 100.00 100.00 3.61e-44 
      GB   AAA28998      "ubiquitin-hybrid protein precursor [Drosophila melanogaster]"                                                                     96.20  156 100.00 100.00 1.10e-45 
      GB   AAA28999      "ubiquitin, partial [Drosophila melanogaster]"                                                                                     96.20   76 100.00 100.00 4.71e-46 
      PIR  I50437        "polyubiquitin 4 - chicken [Gallus gallus]"                                                                                        96.20  305 100.00 100.00 2.52e-43 
      PIR  I51568        "polyubiquitin - African clawed frog (fragment)"                                                                                   96.20  167 100.00 100.00 6.63e-45 
      PIR  I65237        "ubiquitin / ribosomal protein L40, cytosolic [validated] - rat"                                                                   96.20  128 100.00 100.00 3.94e-46 
      PIR  JN0790        "ubiquitin/ribosomal protein CEP52 fusion protein - Leishmania major"                                                              96.20  128  97.37  98.68 2.87e-45 
      PIR  S13928        "ubiquitin precursor - chicken [Gallus gallus]"                                                                                    96.20  229 100.00 100.00 3.73e-44 
      PRF  0412265A       ubiquitin                                                                                                                         94.94   75  98.67  98.67 1.21e-44 
      PRF  1212243A      "ubiquitin S1"                                                                                                                     96.20   76 100.00 100.00 4.71e-46 
      PRF  1212243B      "ubiquitin S5"                                                                                                                     88.61   77  98.57  98.57 8.13e-41 
      PRF  1212243C      "ubiquitin S3"                                                                                                                     96.20   76 100.00 100.00 4.71e-46 
      PRF  1212243D      "ubiquitin S2"                                                                                                                     88.61   77  98.57  98.57 9.36e-41 
      REF  NP_001005123  "ubiquitin A-52 residue ribosomal protein fusion product 1 [Xenopus (Silurana) tropicalis]"                                        96.20  128 100.00 100.00 3.94e-46 
      REF  NP_001006688  "ubiquitin C [Xenopus (Silurana) tropicalis]"                                                                                      96.20  609 100.00 100.00 1.07e-41 
      REF  NP_001009117  "polyubiquitin-B [Pan troglodytes]"                                                                                                96.20  229 100.00 100.00 4.48e-44 
      REF  NP_001009202  "polyubiquitin-B [Ovis aries]"                                                                                                     96.20  305  98.68 100.00 4.83e-43 
      REF  NP_001009286  "ubiquitin-60S ribosomal protein L40 [Ovis aries]"                                                                                 96.20  128 100.00 100.00 3.94e-46 
      SP   P0C273        "RecName: Full=Ubiquitin-60S ribosomal protein L40; AltName: Full=Ubiquitin A-52 residue ribosomal protein fusion product 1; Con"  96.20  128 100.00 100.00 3.94e-46 
      SP   P0C275        "RecName: Full=Ubiquitin-60S ribosomal protein L40; AltName: Full=Ubiquitin A-52 residue ribosomal protein fusion product 1; Con"  96.20  128 100.00 100.00 3.94e-46 
      SP   P0C276        "RecName: Full=Ubiquitin-60S ribosomal protein L40; AltName: Full=Ubiquitin A-52 residue ribosomal protein fusion product 1; Con"  96.20  128 100.00 100.00 3.94e-46 
      SP   P0CG47        "RecName: Full=Polyubiquitin-B; Contains: RecName: Full=Ubiquitin; Flags: Precursor [Homo sapiens]"                                96.20  229 100.00 100.00 4.48e-44 
      SP   P0CG48        "RecName: Full=Polyubiquitin-C; Contains: RecName: Full=Ubiquitin; Flags: Precursor [Homo sapiens]"                                96.20  685 100.00 100.00 1.59e-41 
      TPD  FAA00319      "TPA: polyubiquitin [Cryptococcus neoformans var. neoformans B-3501A]"                                                             96.20  456  97.37  98.68 9.91e-41 
      TPG  DAA18802      "TPA: polyubiquitin [Bos taurus]"                                                                                                  96.20  305 100.00 100.00 2.75e-43 
      TPG  DAA20663      "TPA: ubiquitin C [Bos taurus]"                                                                                                    94.94  314  98.67 100.00 8.43e-42 
      TPG  DAA20672      "TPA: ubiquitin B-like [Bos taurus]"                                                                                               96.20   77  98.68  98.68 4.00e-45 
      TPG  DAA24675      "TPA: 40S ribosomal protein S27a [Bos taurus]"                                                                                     96.20  156 100.00 100.00 6.92e-46 
      TPG  DAA28295      "TPA: ubiquitin and ribosomal protein L40 [Bos taurus]"                                                                            96.20  128 100.00 100.00 3.94e-46 

   stop_

save_


    ####################
    #  Natural source  #
    ####################

save_natural_source
   _Saveframe_category   natural_source


   loop_
      _Mol_label
      _Organism_name_common
      _NCBI_taxonomy_ID
      _Superkingdom
      _Kingdom
      _Genus
      _Species
      _Details

      $GB1-UBM1  Human 9606 Eukaryota Metazoa Homo sapiens 'the residues 60-98 from the NMR construct correspond to human polymerase iota residues 491-529.' 
      $ubiquitin Human 9606 Eukaryota Metazoa Homo sapiens 'the residues 201-276 from NMR construct correspond to human ubiquitin residues 1-76.'            

   stop_

save_


    #########################
    #  Experimental source  #
    #########################

save_experimental_source
   _Saveframe_category   experimental_source


   loop_
      _Mol_label
      _Production_method
      _Host_organism_name_common
      _Genus
      _Species
      _Strain
      _Vector_name

      $GB1-UBM1  'recombinant technology' . Escherichia coli . Pet30  
      $ubiquitin 'recombinant technology' . Escherichia coli . Pet15b 

   stop_

save_


#####################################
#  Sample contents and methodology  #
#####################################
	 
    ########################
    #  Sample description  #
    ########################

save_15N_labeled
   _Saveframe_category   sample

   _Sample_type          solution
   _Details              .

   loop_
      _Mol_label
      _Concentration_value
      _Concentration_value_units
      _Isotopic_labeling

      $GB1-UBM1              3 mM '[U-100% 15N]'      
      $ubiquitin             3 mM '[U-100% 15N]'      
      'potassium chloride' 100 mM 'natural abundance' 
      'sodium phosphate'    25 mM 'natural abundance' 
       H2O                  90 %  'natural abundance' 
       D2O                  10 %  'natural abundance' 

   stop_

save_


save_13C15N_labeled
   _Saveframe_category   sample

   _Sample_type          solution
   _Details              .

   loop_
      _Mol_label
      _Concentration_value
      _Concentration_value_units
      _Isotopic_labeling

      $GB1-UBM1              3 mM '[U-100% 13C; U-100% 15N]' 
      $ubiquitin             3 mM '[U-100% 13C; U-100% 15N]' 
      'potassium chloride' 100 mM 'natural abundance'        
      'sodium phosphate'    25 mM 'natural abundance'        
       H2O                  90 %  'natural abundance'        
       D2O                  10 %  'natural abundance'        

   stop_

save_


save_13C15N_labeled_D2O
   _Saveframe_category   sample

   _Sample_type          solution
   _Details              .

   loop_
      _Mol_label
      _Concentration_value
      _Concentration_value_units
      _Isotopic_labeling

      $GB1-UBM1              3 mM '[U-100% 13C; U-100% 15N]' 
      $ubiquitin             3 mM '[U-100% 13C; U-100% 15N]' 
      'potassium chloride' 100 mM 'natural abundance'        
      'sodium phosphate'    25 mM 'natural abundance'        
       D2O                 100 %  'natural abundance'        

   stop_

save_


save_DLUBM1_ULUbi
   _Saveframe_category   sample

   _Sample_type          solution
   _Details              .

   loop_
      _Mol_label
      _Concentration_value
      _Concentration_value_units
      _Isotopic_labeling

      $GB1-UBM1              3 mM '[U-100% 13C; U-100% 15N]' 
      $ubiquitin             3 mM 'natural abundance'        
      'potassium chloride' 100 mM 'natural abundance'        
      'sodium phosphate'    25 mM 'natural abundance'        
       D2O                 100 %  'natural abundance'        

   stop_

save_


save_ULUBM1_DLUbi
   _Saveframe_category   sample

   _Sample_type          solution
   _Details              .

   loop_
      _Mol_label
      _Concentration_value
      _Concentration_value_units
      _Isotopic_labeling

      $GB1-UBM1              3 mM 'natural abundance'        
      $ubiquitin             3 mM '[U-100% 13C; U-100% 15N]' 
      'potassium chloride' 100 mM 'natural abundance'        
      'sodium phosphate'    25 mM 'natural abundance'        
       D2O                 100 %  'natural abundance'        

   stop_

save_


############################
#  Computer software used  #
############################

save_NMRPipe
   _Saveframe_category   software

   _Name                 NMRPipe
   _Version              .

   loop_
      _Vendor
      _Address
      _Electronic_address

      'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 

   stop_

   loop_
      _Task

      processing 

   stop_

   _Details              .

save_


save_SPARKY
   _Saveframe_category   software

   _Name                 SPARKY
   _Version              .

   loop_
      _Vendor
      _Address
      _Electronic_address

      Goddard . . 

   stop_

   loop_
      _Task

      'data analysis' 

   stop_

   _Details              .

save_


save_TALOS
   _Saveframe_category   software

   _Name                 TALOS
   _Version              .

   loop_
      _Vendor
      _Address
      _Electronic_address

      'Cornilescu, Delaglio and Bax' . . 

   stop_

   loop_
      _Task

      'data analysis' 

   stop_

   _Details              .

save_


save_Scrub
   _Saveframe_category   software

   _Name                 Scrub
   _Version              .

   loop_
      _Vendor
      _Address
      _Electronic_address

      'Coggins and Zhou' . . 

   stop_

   loop_
      _Task

      processing 

   stop_

   _Details              .

save_


save_CYANA
   _Saveframe_category   software

   _Name                 CYANA
   _Version              .

   loop_
      _Vendor
      _Address
      _Electronic_address

      'Guntert, Mumenthaler and Wuthrich' . . 

   stop_

   loop_
      _Task

      'structure solution' 

   stop_

   _Details              .

save_


#########################
#  Experimental detail  #
#########################

    ##################################
    #  NMR Spectrometer definitions  #
    ##################################

save_spectrometer_1
   _Saveframe_category   NMR_spectrometer

   _Manufacturer         Varian
   _Model                INOVA
   _Field_strength       800
   _Details              .

save_


save_spectrometer_2
   _Saveframe_category   NMR_spectrometer

   _Manufacturer         Varian
   _Model                INOVA
   _Field_strength       600
   _Details              .

save_


    #############################
    #  NMR applied experiments  #
    #############################

save_2D_1H-15N_HSQC_1
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '2D 1H-15N HSQC'
   _Sample_label        $15N_labeled

save_


save_2D_1H-13C_HSQC_2
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '2D 1H-13C HSQC'
   _Sample_label        $13C15N_labeled_D2O

save_


save_3D_sparse-sampled_HNCO_3
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D sparse-sampled HNCO'
   _Sample_label        $13C15N_labeled

save_


save_3D_sparse-sampled_HNCA_4
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D sparse-sampled HNCA'
   _Sample_label        $13C15N_labeled

save_


save_3D_sparse-sampled_HNCACB_5
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D sparse-sampled HNCACB'
   _Sample_label        $13C15N_labeled

save_


save_3D_sparse-sampled_HN(CO)CA_6
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D sparse-sampled HN(CO)CA'
   _Sample_label        $13C15N_labeled

save_


save_3D_1H-15N_NOESY_7
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D 1H-15N NOESY'
   _Sample_label        $15N_labeled

save_


save_3D_sparse-sampled_HN(COCA)CB_8
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D sparse-sampled HN(COCA)CB'
   _Sample_label        $13C15N_labeled

save_


save_3D_(HACA)CO(CA)NH_9
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D (HACA)CO(CA)NH'
   _Sample_label        $13C15N_labeled

save_


save_3D_sparse-sampled_HA(CACO)NH_10
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D sparse-sampled HA(CACO)NH'
   _Sample_label        $13C15N_labeled

save_


save_3D_sparse-sampled_HA(CA)NH_11
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D sparse-sampled HA(CA)NH'
   _Sample_label        $13C15N_labeled

save_


save_4D_sparse-sampled_HC(CO)NH-TOCSY_12
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '4D sparse-sampled HC(CO)NH-TOCSY'
   _Sample_label        $13C15N_labeled

save_


save_4D_sparse-sampled_CHNH_NOESY_13
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '4D sparse-sampled CHNH NOESY'
   _Sample_label        $13C15N_labeled

save_


save_4D_sparse-sampled_CHCH_NOESY_14
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '4D sparse-sampled CHCH NOESY'
   _Sample_label        $13C15N_labeled_D2O

save_


save_4D_sparse-sampled_CHCH_NOESY_15
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '4D sparse-sampled CHCH NOESY'
   _Sample_label        $DLUBM1_ULUbi

save_


save_4D_sparse-sampled_CHCH_NOESY_16
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '4D sparse-sampled CHCH NOESY'
   _Sample_label        $ULUBM1_DLUbi

save_


#######################
#  Sample conditions  #
#######################

save_sample_conditions_1
   _Saveframe_category   sample_conditions

   _Details              .

   loop_
      _Variable_type
      _Variable_value
      _Variable_value_error
      _Variable_value_units

      'ionic strength' 100 . mM  
       pH                7 . pH  
       pressure          1 . atm 
       temperature     298 . K   

   stop_

save_


####################
#  NMR parameters  #
####################

    ##############################
    #  Assigned chemical shifts  #
    ##############################

	################################
	#  Chemical shift referencing  #
	################################

save_chemical_shift_reference_1
   _Saveframe_category   chemical_shift_reference

   _Details              .

   loop_
      _Mol_common_name
      _Atom_type
      _Atom_isotope_number
      _Atom_group
      _Chem_shift_units
      _Chem_shift_value
      _Reference_method
      _Reference_type
      _External_reference_sample_geometry
      _External_reference_location
      _External_reference_axis
      _Indirect_shift_ratio

      DSS C 13 'methyl protons' ppm 0.00 na       indirect . . . 0.251449530 
      DSS H  1 'methyl protons' ppm 0.00 internal direct   . . . 1.000000000 
      DSS N 15 'methyl protons' ppm 0.00 na       indirect . . . 0.101329118 

   stop_

save_


	###################################
	#  Assigned chemical shift lists  #
	###################################

###################################################################
#       Chemical Shift Ambiguity Index Value Definitions          #
#                                                                 #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains.                              #
#                                                                 #
#   Index Value            Definition                             #
#                                                                 #
#      1             Unique (including isolated methyl protons,   #
#                         geminal atoms, and geminal methyl       #
#                         groups with identical chemical shifts)  #
#                         (e.g. ILE HD11, HD12, HD13 protons)     #
#      2             Ambiguity of geminal atoms or geminal methyl #
#                         proton groups (e.g. ASP HB2 and HB3     #
#                         protons, LEU CD1 and CD2 carbons, or    #
#                         LEU HD11, HD12, HD13 and HD21, HD22,    #
#                         HD23 methyl protons)                    #
#      3             Aromatic atoms on opposite sides of          #
#                         symmetrical rings (e.g. TYR HE1 and HE2 #
#                         protons)                                #
#      4             Intraresidue ambiguities (e.g. LYS HG and    #
#                         HD protons or TRP HZ2 and HZ3 protons)  #
#      5             Interresidue ambiguities (LYS 12 vs. LYS 27) #
#      6             Intermolecular ambiguities (e.g. ASP 31 CA   #
#                         in monomer 1 and ASP 31 CA in monomer 2 #
#                         of an asymmetrical homodimer, duplex    #
#                         DNA assignments, or other assignments   #
#                         that may apply to atoms in one or more  #
#                         molecule in the molecular assembly)     #
#      9             Ambiguous, specific ambiguity not defined    #
#                                                                 #
###################################################################
save_assigned_chem_shift_list_1_1
   _Saveframe_category               assigned_chemical_shifts

   _Details                          .

   loop_
      _Experiment_label

      '2D 1H-15N HSQC'                   
      '3D sparse-sampled HNCO'           
      '3D sparse-sampled HNCA'           
      '3D sparse-sampled HNCACB'         
      '3D sparse-sampled HN(CO)CA'       
      '3D sparse-sampled HN(COCA)CB'     
      '3D (HACA)CO(CA)NH'                
      '3D sparse-sampled HA(CACO)NH'     
      '3D sparse-sampled HA(CA)NH'       
      '4D sparse-sampled HC(CO)NH-TOCSY' 

   stop_

   loop_
      _Sample_label

      $15N_labeled    
      $13C15N_labeled 

   stop_

   _Sample_conditions_label         $sample_conditions_1
   _Chem_shift_reference_set_label  $chemical_shift_reference_1
   _Mol_system_component_name        GB1-UBM1
   _Text_data_format                 .
   _Text_data                        .

   loop_
      _Atom_shift_assign_ID
      _Residue_author_seq_code
      _Residue_seq_code
      _Residue_label
      _Atom_name
      _Atom_type
      _Chem_shift_value
      _Chem_shift_value_error
      _Chem_shift_ambiguity_code

        1   1   1 MET HA   H   4.155 0.020 1 
        2   1   1 MET HB2  H   2.083 0.020 2 
        3   1   1 MET HB3  H   2.209 0.020 2 
        4   1   1 MET HG2  H   2.170 0.020 2 
        5   1   1 MET HG3  H   2.407 0.020 2 
        6   1   1 MET HE   H   2.110 0.020 1 
        7   1   1 MET CA   C  54.073 0.400 1 
        8   1   1 MET CB   C  32.187 0.400 1 
        9   1   1 MET CG   C  30.268 0.400 1 
       10   1   1 MET CE   C  15.833 0.400 1 
       11   2   2 GLN H    H   8.338 0.020 1 
       12   2   2 GLN HA   H   4.954 0.020 1 
       13   2   2 GLN HB2  H   1.955 0.020 2 
       14   2   2 GLN HB3  H   2.018 0.020 2 
       15   2   2 GLN HG2  H   2.341 0.020 2 
       16   2   2 GLN HG3  H   2.114 0.020 2 
       17   2   2 GLN HE21 H   6.887 0.020 2 
       18   2   2 GLN HE22 H   7.827 0.020 2 
       19   2   2 GLN CA   C  55.411 0.400 1 
       20   2   2 GLN CB   C  29.995 0.400 1 
       21   2   2 GLN CG   C  34.639 0.400 1 
       22   2   2 GLN N    N 123.406 0.400 1 
       23   2   2 GLN NE2  N 112.352 0.400 1 
       24   3   3 TYR H    H   9.082 0.020 1 
       25   3   3 TYR HA   H   5.350 0.020 1 
       26   3   3 TYR HB2  H   2.708 0.020 2 
       27   3   3 TYR HB3  H   3.383 0.020 2 
       28   3   3 TYR HD1  H   7.130 0.020 1 
       29   3   3 TYR HD2  H   7.130 0.020 1 
       30   3   3 TYR HE1  H   6.908 0.020 1 
       31   3   3 TYR HE2  H   6.908 0.020 1 
       32   3   3 TYR CA   C  56.595 0.400 1 
       33   3   3 TYR CB   C  42.987 0.400 1 
       34   3   3 TYR CD1  C 133.033 0.400 1 
       35   3   3 TYR CE1  C 117.444 0.400 1 
       36   3   3 TYR N    N 124.395 0.400 1 
       37   4   4 LYS H    H   9.088 0.020 1 
       38   4   4 LYS HA   H   5.209 0.020 1 
       39   4   4 LYS HB2  H   1.876 0.020 2 
       40   4   4 LYS HB3  H   2.013 0.020 2 
       41   4   4 LYS HG2  H   1.327 0.020 2 
       42   4   4 LYS HG3  H   1.448 0.020 2 
       43   4   4 LYS HD2  H   1.605 0.020 1 
       44   4   4 LYS HD3  H   1.605 0.020 1 
       45   4   4 LYS HE2  H   2.775 0.020 1 
       46   4   4 LYS HE3  H   2.775 0.020 1 
       47   4   4 LYS CA   C  54.057 0.400 1 
       48   4   4 LYS CB   C  35.465 0.400 1 
       49   4   4 LYS CG   C  25.103 0.400 1 
       50   4   4 LYS CD   C  28.441 0.400 1 
       51   4   4 LYS CE   C  41.265 0.400 1 
       52   4   4 LYS N    N 122.232 0.400 1 
       53   5   5 LEU H    H   8.608 0.020 1 
       54   5   5 LEU HA   H   4.934 0.020 1 
       55   5   5 LEU HB2  H   0.736 0.020 2 
       56   5   5 LEU HB3  H  -1.157 0.020 2 
       57   5   5 LEU HG   H   0.849 0.020 1 
       58   5   5 LEU HD1  H   0.526 0.020 2 
       59   5   5 LEU HD2  H   0.561 0.020 2 
       60   5   5 LEU CA   C  52.143 0.400 1 
       61   5   5 LEU CB   C  42.147 0.400 1 
       62   5   5 LEU CG   C  26.677 0.400 1 
       63   5   5 LEU CD1  C  24.280 0.400 1 
       64   5   5 LEU CD2  C  25.395 0.400 1 
       65   5   5 LEU N    N 126.362 0.400 1 
       66   6   6 ILE H    H   9.073 0.020 1 
       67   6   6 ILE HA   H   4.308 0.020 1 
       68   6   6 ILE HB   H   1.942 0.020 1 
       69   6   6 ILE HG12 H   1.069 0.020 2 
       70   6   6 ILE HG13 H   1.394 0.020 2 
       71   6   6 ILE HG2  H   0.772 0.020 1 
       72   6   6 ILE HD1  H   0.742 0.020 1 
       73   6   6 ILE CA   C  59.636 0.400 1 
       74   6   6 ILE CB   C  37.669 0.400 1 
       75   6   6 ILE CG1  C  26.797 0.400 1 
       76   6   6 ILE CG2  C  16.602 0.400 1 
       77   6   6 ILE CD1  C  12.225 0.400 1 
       78   6   6 ILE N    N 126.117 0.400 1 
       79   7   7 LEU H    H   8.702 0.020 1 
       80   7   7 LEU HA   H   4.462 0.020 1 
       81   7   7 LEU HB2  H   1.421 0.020 2 
       82   7   7 LEU HB3  H   1.332 0.020 2 
       83   7   7 LEU HG   H   1.269 0.020 1 
       84   7   7 LEU HD1  H   0.736 0.020 2 
       85   7   7 LEU HD2  H   0.746 0.020 2 
       86   7   7 LEU CA   C  53.842 0.400 1 
       87   7   7 LEU CB   C  41.737 0.400 1 
       88   7   7 LEU CG   C  27.043 0.400 1 
       89   7   7 LEU CD1  C  25.139 0.400 1 
       90   7   7 LEU CD2  C  25.384 0.400 1 
       91   7   7 LEU N    N 125.509 0.400 1 
       92   8   8 ASN H    H   8.831 0.020 1 
       93   8   8 ASN HA   H   5.223 0.020 1 
       94   8   8 ASN HB2  H   2.495 0.020 2 
       95   8   8 ASN HB3  H   2.944 0.020 2 
       96   8   8 ASN HD21 H   7.110 0.020 2 
       97   8   8 ASN HD22 H   6.761 0.020 2 
       98   8   8 ASN CA   C  50.535 0.400 1 
       99   8   8 ASN CB   C  37.815 0.400 1 
      100   8   8 ASN N    N 125.475 0.400 1 
      101   8   8 ASN ND2  N 111.300 0.400 1 
      102   9   9 GLY H    H   7.920 0.020 1 
      103   9   9 GLY HA2  H   4.422 0.020 2 
      104   9   9 GLY HA3  H   4.021 0.020 2 
      105   9   9 GLY CA   C  44.266 0.400 1 
      106   9   9 GLY N    N 109.755 0.400 1 
      107  10  10 LYS H    H   9.283 0.020 1 
      108  10  10 LYS HA   H   4.026 0.020 1 
      109  10  10 LYS HB2  H   1.792 0.020 1 
      110  10  10 LYS HB3  H   1.792 0.020 1 
      111  10  10 LYS HG2  H   1.421 0.020 1 
      112  10  10 LYS HG3  H   1.421 0.020 1 
      113  10  10 LYS HD2  H   1.671 0.020 1 
      114  10  10 LYS HD3  H   1.671 0.020 1 
      115  10  10 LYS HE2  H   2.923 0.020 1 
      116  10  10 LYS HE3  H   2.923 0.020 1 
      117  10  10 LYS CA   C  58.515 0.400 1 
      118  10  10 LYS CB   C  31.958 0.400 1 
      119  10  10 LYS CG   C  24.774 0.400 1 
      120  10  10 LYS CD   C  28.434 0.400 1 
      121  10  10 LYS CE   C  41.279 0.400 1 
      122  10  10 LYS N    N 121.086 0.400 1 
      123  11  11 THR H    H   8.803 0.020 1 
      124  11  11 THR HA   H   4.353 0.020 1 
      125  11  11 THR HB   H   4.207 0.020 1 
      126  11  11 THR HG2  H   1.125 0.020 1 
      127  11  11 THR CA   C  61.460 0.400 1 
      128  11  11 THR CB   C  69.112 0.400 1 
      129  11  11 THR CG2  C  21.314 0.400 1 
      130  11  11 THR N    N 108.583 0.400 1 
      131  12  12 LEU H    H   7.306 0.020 1 
      132  12  12 LEU HA   H   4.432 0.020 1 
      133  12  12 LEU HB2  H   1.405 0.020 2 
      134  12  12 LEU HB3  H   1.530 0.020 2 
      135  12  12 LEU HG   H   1.394 0.020 1 
      136  12  12 LEU HD1  H   0.863 0.020 2 
      137  12  12 LEU HD2  H   0.780 0.020 2 
      138  12  12 LEU CA   C  54.610 0.400 1 
      139  12  12 LEU CB   C  42.938 0.400 1 
      140  12  12 LEU CG   C  27.012 0.400 1 
      141  12  12 LEU CD1  C  23.754 0.400 1 
      142  12  12 LEU CD2  C  24.863 0.400 1 
      143  12  12 LEU N    N 124.890 0.400 1 
      144  13  13 LYS H    H   8.095 0.020 1 
      145  13  13 LYS HA   H   5.114 0.020 1 
      146  13  13 LYS HB2  H   1.877 0.020 2 
      147  13  13 LYS HB3  H   1.705 0.020 2 
      148  13  13 LYS HG2  H   1.435 0.020 1 
      149  13  13 LYS HG3  H   1.435 0.020 1 
      150  13  13 LYS HD2  H   1.720 0.020 1 
      151  13  13 LYS HD3  H   1.720 0.020 1 
      152  13  13 LYS HE2  H   2.902 0.020 2 
      153  13  13 LYS HE3  H   2.986 0.020 2 
      154  13  13 LYS CA   C  53.297 0.400 1 
      155  13  13 LYS CB   C  34.391 0.400 1 
      156  13  13 LYS CG   C  24.585 0.400 1 
      157  13  13 LYS CD   C  28.678 0.400 1 
      158  13  13 LYS CE   C  42.079 0.400 1 
      159  13  13 LYS N    N 123.767 0.400 1 
      160  14  14 GLY H    H   8.386 0.020 1 
      161  14  14 GLY HA2  H   4.136 0.020 2 
      162  14  14 GLY HA3  H   4.247 0.020 2 
      163  14  14 GLY CA   C  44.568 0.400 1 
      164  14  14 GLY N    N 109.323 0.400 1 
      165  15  15 GLU H    H   8.376 0.020 1 
      166  15  15 GLU HA   H   5.591 0.020 1 
      167  15  15 GLU HB2  H   1.893 0.020 2 
      168  15  15 GLU HB3  H   1.993 0.020 2 
      169  15  15 GLU HG2  H   2.126 0.020 1 
      170  15  15 GLU HG3  H   2.126 0.020 1 
      171  15  15 GLU CA   C  54.057 0.400 1 
      172  15  15 GLU CB   C  33.327 0.400 1 
      173  15  15 GLU CG   C  35.580 0.400 1 
      174  15  15 GLU N    N 118.548 0.400 1 
      175  16  16 THR H    H   8.759 0.020 1 
      176  16  16 THR HA   H   4.719 0.020 1 
      177  16  16 THR HB   H   3.888 0.020 1 
      178  16  16 THR HG2  H   0.414 0.020 1 
      179  16  16 THR CA   C  59.943 0.400 1 
      180  16  16 THR CB   C  68.911 0.400 1 
      181  16  16 THR CG2  C  18.828 0.400 1 
      182  16  16 THR N    N 115.840 0.400 1 
      183  17  17 THR H    H   8.059 0.020 1 
      184  17  17 THR HA   H   5.793 0.020 1 
      185  17  17 THR HB   H   4.276 0.020 1 
      186  17  17 THR HG2  H   1.170 0.020 1 
      187  17  17 THR CA   C  59.295 0.400 1 
      188  17  17 THR CB   C  72.719 0.400 1 
      189  17  17 THR CG2  C  21.011 0.400 1 
      190  17  17 THR N    N 111.797 0.400 1 
      191  18  18 THR H    H   8.954 0.020 1 
      192  18  18 THR HA   H   4.647 0.020 1 
      193  18  18 THR HB   H   3.822 0.020 1 
      194  18  18 THR HG2  H   0.458 0.020 1 
      195  18  18 THR CA   C  61.725 0.400 1 
      196  18  18 THR CB   C  69.521 0.400 1 
      197  18  18 THR CG2  C  18.557 0.400 1 
      198  18  18 THR N    N 114.492 0.400 1 
      199  19  19 GLU H    H   7.920 0.020 1 
      200  19  19 GLU HA   H   5.155 0.020 1 
      201  19  19 GLU HB2  H   1.919 0.020 1 
      202  19  19 GLU HB3  H   1.919 0.020 1 
      203  19  19 GLU HG2  H   2.031 0.020 2 
      204  19  19 GLU HG3  H   2.263 0.020 2 
      205  19  19 GLU CA   C  53.843 0.400 1 
      206  19  19 GLU CB   C  29.809 0.400 1 
      207  19  19 GLU CG   C  35.232 0.400 1 
      208  19  19 GLU N    N 125.896 0.400 1 
      209  20  20 ALA H    H   9.320 0.020 1 
      210  20  20 ALA HA   H   4.919 0.020 1 
      211  20  20 ALA HB   H   1.325 0.020 1 
      212  20  20 ALA CA   C  50.260 0.400 1 
      213  20  20 ALA CB   C  23.199 0.400 1 
      214  20  20 ALA N    N 127.308 0.400 1 
      215  21  21 VAL H    H   8.474 0.020 1 
      216  21  21 VAL HA   H   4.082 0.020 1 
      217  21  21 VAL HB   H   2.183 0.020 1 
      218  21  21 VAL HG1  H   0.989 0.020 2 
      219  21  21 VAL HG2  H   0.981 0.020 2 
      220  21  21 VAL CA   C  62.975 0.400 1 
      221  21  21 VAL CB   C  31.421 0.400 1 
      222  21  21 VAL CG1  C  20.424 0.400 1 
      223  21  21 VAL CG2  C  19.662 0.400 1 
      224  21  21 VAL N    N 115.712 0.400 1 
      225  22  22 ASP H    H   7.296 0.020 1 
      226  22  22 ASP HA   H   4.740 0.020 1 
      227  22  22 ASP HB2  H   2.944 0.020 2 
      228  22  22 ASP HB3  H   3.026 0.020 2 
      229  22  22 ASP CA   C  51.939 0.400 1 
      230  22  22 ASP CB   C  41.543 0.400 1 
      231  22  22 ASP N    N 115.055 0.400 1 
      232  23  23 ALA H    H   8.276 0.020 1 
      233  23  23 ALA HA   H   3.301 0.020 1 
      234  23  23 ALA HB   H   1.161 0.020 1 
      235  23  23 ALA CA   C  54.038 0.400 1 
      236  23  23 ALA CB   C  16.945 0.400 1 
      237  23  23 ALA N    N 121.340 0.400 1 
      238  24  24 ALA H    H   8.034 0.020 1 
      239  24  24 ALA HA   H   3.943 0.020 1 
      240  24  24 ALA HB   H   1.270 0.020 1 
      241  24  24 ALA CA   C  54.140 0.400 1 
      242  24  24 ALA CB   C  17.275 0.400 1 
      243  24  24 ALA N    N 120.414 0.400 1 
      244  25  25 THR H    H   8.269 0.020 1 
      245  25  25 THR HA   H   3.683 0.020 1 
      246  25  25 THR HB   H   3.998 0.020 1 
      247  25  25 THR HG2  H   1.207 0.020 1 
      248  25  25 THR CA   C  66.348 0.400 1 
      249  25  25 THR CB   C  67.268 0.400 1 
      250  25  25 THR CG2  C  20.488 0.400 1 
      251  25  25 THR N    N 116.322 0.400 1 
      252  26  26 ALA H    H   7.135 0.020 1 
      253  26  26 ALA HA   H   3.057 0.020 1 
      254  26  26 ALA HB   H   0.488 0.020 1 
      255  26  26 ALA CA   C  54.338 0.400 1 
      256  26  26 ALA CB   C  16.929 0.400 1 
      257  26  26 ALA N    N 123.563 0.400 1 
      258  27  27 GLU H    H   8.299 0.020 1 
      259  27  27 GLU HA   H   2.608 0.020 1 
      260  27  27 GLU HB2  H   1.829 0.020 2 
      261  27  27 GLU HB3  H   1.931 0.020 2 
      262  27  27 GLU HG2  H   1.603 0.020 1 
      263  27  27 GLU HG3  H   1.603 0.020 1 
      264  27  27 GLU CA   C  59.053 0.400 1 
      265  27  27 GLU CB   C  28.681 0.400 1 
      266  27  27 GLU CG   C  35.265 0.400 1 
      267  27  27 GLU N    N 116.527 0.400 1 
      268  28  28 LYS H    H   6.924 0.020 1 
      269  28  28 LYS HA   H   3.705 0.020 1 
      270  28  28 LYS HB2  H   1.813 0.020 1 
      271  28  28 LYS HB3  H   1.813 0.020 1 
      272  28  28 LYS HG2  H   1.305 0.020 2 
      273  28  28 LYS HG3  H   1.527 0.020 2 
      274  28  28 LYS HD2  H   1.592 0.020 1 
      275  28  28 LYS HD3  H   1.592 0.020 1 
      276  28  28 LYS HE2  H   2.874 0.020 1 
      277  28  28 LYS HE3  H   2.874 0.020 1 
      278  28  28 LYS CA   C  59.095 0.400 1 
      279  28  28 LYS CB   C  31.691 0.400 1 
      280  28  28 LYS CG   C  24.598 0.400 1 
      281  28  28 LYS CD   C  28.719 0.400 1 
      282  28  28 LYS CE   C  41.425 0.400 1 
      283  28  28 LYS N    N 116.490 0.400 1 
      284  29  29 VAL H    H   7.306 0.020 1 
      285  29  29 VAL HA   H   3.619 0.020 1 
      286  29  29 VAL HB   H   1.730 0.020 1 
      287  29  29 VAL HG1  H   0.768 0.020 2 
      288  29  29 VAL HG2  H   0.877 0.020 2 
      289  29  29 VAL CA   C  65.349 0.400 1 
      290  29  29 VAL CB   C  31.179 0.400 1 
      291  29  29 VAL CG1  C  19.923 0.400 1 
      292  29  29 VAL CG2  C  21.099 0.400 1 
      293  29  29 VAL N    N 120.468 0.400 1 
      294  30  30 PHE H    H   8.498 0.020 1 
      295  30  30 PHE HA   H   4.755 0.020 1 
      296  30  30 PHE HB2  H   2.812 0.020 2 
      297  30  30 PHE HB3  H   3.300 0.020 2 
      298  30  30 PHE HD1  H   6.899 0.020 1 
      299  30  30 PHE HD2  H   6.899 0.020 1 
      300  30  30 PHE HE1  H   7.078 0.020 1 
      301  30  30 PHE HE2  H   7.078 0.020 1 
      302  30  30 PHE HZ   H   7.168 0.020 1 
      303  30  30 PHE CA   C  55.977 0.400 1 
      304  30  30 PHE CB   C  36.854 0.400 1 
      305  30  30 PHE CD1  C 129.211 0.400 1 
      306  30  30 PHE CE1  C 130.036 0.400 1 
      307  30  30 PHE CZ   C 129.763 0.400 1 
      308  30  30 PHE N    N 120.532 0.400 1 
      309  31  31 LYS H    H   9.058 0.020 1 
      310  31  31 LYS HA   H   4.148 0.020 1 
      311  31  31 LYS HB2  H   1.606 0.020 2 
      312  31  31 LYS HB3  H   1.540 0.020 2 
      313  31  31 LYS HG2  H   0.445 0.020 2 
      314  31  31 LYS HG3  H   0.779 0.020 2 
      315  31  31 LYS HD2  H   1.028 0.020 2 
      316  31  31 LYS HD3  H   1.086 0.020 2 
      317  31  31 LYS HE2  H   1.639 0.020 2 
      318  31  31 LYS HE3  H   1.861 0.020 2 
      319  31  31 LYS CA   C  59.299 0.400 1 
      320  31  31 LYS CB   C  31.118 0.400 1 
      321  31  31 LYS CG   C  25.363 0.400 1 
      322  31  31 LYS CD   C  28.182 0.400 1 
      323  31  31 LYS CE   C  40.670 0.400 1 
      324  31  31 LYS N    N 122.701 0.400 1 
      325  32  32 GLN H    H   7.423 0.020 1 
      326  32  32 GLN HA   H   4.024 0.020 1 
      327  32  32 GLN HB2  H   2.184 0.020 2 
      328  32  32 GLN HB3  H   2.231 0.020 2 
      329  32  32 GLN HG2  H   2.397 0.020 2 
      330  32  32 GLN HG3  H   2.427 0.020 2 
      331  32  32 GLN HE21 H   6.863 0.020 2 
      332  32  32 GLN HE22 H   7.918 0.020 2 
      333  32  32 GLN CA   C  57.950 0.400 1 
      334  32  32 GLN CB   C  27.592 0.400 1 
      335  32  32 GLN CG   C  32.832 0.400 1 
      336  32  32 GLN N    N 119.507 0.400 1 
      337  32  32 GLN NE2  N 115.204 0.400 1 
      338  33  33 TYR H    H   8.232 0.020 1 
      339  33  33 TYR HA   H   4.255 0.020 1 
      340  33  33 TYR HB2  H   3.287 0.020 1 
      341  33  33 TYR HB3  H   3.287 0.020 1 
      342  33  33 TYR HD1  H   6.968 0.020 1 
      343  33  33 TYR HD2  H   6.968 0.020 1 
      344  33  33 TYR HE1  H   6.714 0.020 1 
      345  33  33 TYR HE2  H   6.714 0.020 1 
      346  33  33 TYR CA   C  61.241 0.400 1 
      347  33  33 TYR CB   C  38.192 0.400 1 
      348  33  33 TYR CD1  C 132.213 0.400 1 
      349  33  33 TYR CE1  C 117.726 0.400 1 
      350  33  33 TYR N    N 120.872 0.400 1 
      351  34  34 ALA H    H   9.160 0.020 1 
      352  34  34 ALA HA   H   3.774 0.020 1 
      353  34  34 ALA HB   H   1.821 0.020 1 
      354  34  34 ALA CA   C  55.731 0.400 1 
      355  34  34 ALA CB   C  17.381 0.400 1 
      356  34  34 ALA N    N 122.479 0.400 1 
      357  35  35 ASN H    H   8.229 0.020 1 
      358  35  35 ASN HA   H   4.420 0.020 1 
      359  35  35 ASN HB2  H   2.900 0.020 2 
      360  35  35 ASN HB3  H   2.943 0.020 2 
      361  35  35 ASN HD21 H   7.601 0.020 2 
      362  35  35 ASN HD22 H   6.955 0.020 2 
      363  35  35 ASN CA   C  56.368 0.400 1 
      364  35  35 ASN CB   C  38.301 0.400 1 
      365  35  35 ASN N    N 117.521 0.400 1 
      366  35  35 ASN ND2  N 112.170 0.400 1 
      367  36  36 ASP H    H   8.917 0.020 1 
      368  36  36 ASP HA   H   4.345 0.020 1 
      369  36  36 ASP HB2  H   2.713 0.020 2 
      370  36  36 ASP HB3  H   2.542 0.020 2 
      371  36  36 ASP CA   C  56.333 0.400 1 
      372  36  36 ASP CB   C  39.413 0.400 1 
      373  36  36 ASP N    N 121.311 0.400 1 
      374  37  37 ASN H    H   7.357 0.020 1 
      375  37  37 ASN HA   H   4.575 0.020 1 
      376  37  37 ASN HB2  H   2.077 0.020 2 
      377  37  37 ASN HB3  H   2.667 0.020 2 
      378  37  37 ASN HD21 H   6.253 0.020 2 
      379  37  37 ASN HD22 H   6.619 0.020 2 
      380  37  37 ASN CA   C  53.194 0.400 1 
      381  37  37 ASN CB   C  39.449 0.400 1 
      382  37  37 ASN N    N 115.211 0.400 1 
      383  37  37 ASN ND2  N 114.790 0.400 1 
      384  38  38 GLY H    H   7.772 0.020 1 
      385  38  38 GLY HA2  H   3.897 0.020 1 
      386  38  38 GLY HA3  H   3.897 0.020 1 
      387  38  38 GLY CA   C  46.224 0.400 1 
      388  38  38 GLY N    N 108.012 0.400 1 
      389  39  39 VAL H    H   8.099 0.020 1 
      390  39  39 VAL HA   H   4.124 0.020 1 
      391  39  39 VAL HB   H   1.711 0.020 1 
      392  39  39 VAL HG1  H   0.615 0.020 2 
      393  39  39 VAL HG2  H   0.784 0.020 2 
      394  39  39 VAL CA   C  61.420 0.400 1 
      395  39  39 VAL CB   C  32.712 0.400 1 
      396  39  39 VAL CG1  C  21.005 0.400 1 
      397  39  39 VAL CG2  C  21.289 0.400 1 
      398  39  39 VAL N    N 120.706 0.400 1 
      399  40  40 ASP H    H   8.468 0.020 1 
      400  40  40 ASP HA   H   4.863 0.020 1 
      401  40  40 ASP HB2  H   2.574 0.020 2 
      402  40  40 ASP HB3  H   2.702 0.020 2 
      403  40  40 ASP CA   C  51.913 0.400 1 
      404  40  40 ASP CB   C  42.636 0.400 1 
      405  40  40 ASP N    N 127.304 0.400 1 
      406  41  41 GLY H    H   7.912 0.020 1 
      407  41  41 GLY HA2  H   3.731 0.020 2 
      408  41  41 GLY HA3  H   4.216 0.020 2 
      409  41  41 GLY CA   C  44.866 0.400 1 
      410  41  41 GLY N    N 107.327 0.400 1 
      411  42  42 GLU H    H   8.024 0.020 1 
      412  42  42 GLU HA   H   4.674 0.020 1 
      413  42  42 GLU HB2  H   2.028 0.020 2 
      414  42  42 GLU HB3  H   1.950 0.020 2 
      415  42  42 GLU HG2  H   2.245 0.020 2 
      416  42  42 GLU HG3  H   2.338 0.020 2 
      417  42  42 GLU CA   C  54.950 0.400 1 
      418  42  42 GLU CB   C  30.956 0.400 1 
      419  42  42 GLU CG   C  35.811 0.400 1 
      420  42  42 GLU N    N 120.524 0.400 1 
      421  43  43 TRP H    H   9.294 0.020 1 
      422  43  43 TRP HA   H   5.354 0.020 1 
      423  43  43 TRP HB2  H   3.141 0.020 2 
      424  43  43 TRP HB3  H   3.351 0.020 2 
      425  43  43 TRP HD1  H   7.554 0.020 1 
      426  43  43 TRP HE3  H   7.601 0.020 1 
      427  43  43 TRP HZ2  H   7.322 0.020 1 
      428  43  43 TRP HZ3  H   6.595 0.020 1 
      429  43  43 TRP HH2  H   6.727 0.020 1 
      430  43  43 TRP CA   C  57.201 0.400 1 
      431  43  43 TRP CB   C  30.057 0.400 1 
      432  43  43 TRP CD1  C 126.469 0.400 1 
      433  43  43 TRP CE3  C 118.812 0.400 1 
      434  43  43 TRP CZ2  C 113.889 0.400 1 
      435  43  43 TRP CZ3  C 120.179 0.400 1 
      436  43  43 TRP CH2  C 122.367 0.400 1 
      437  43  43 TRP N    N 128.082 0.400 1 
      438  44  44 THR H    H   9.247 0.020 1 
      439  44  44 THR HA   H   4.803 0.020 1 
      440  44  44 THR HB   H   4.215 0.020 1 
      441  44  44 THR HG2  H   1.167 0.020 1 
      442  44  44 THR CA   C  59.890 0.400 1 
      443  44  44 THR CB   C  71.686 0.400 1 
      444  44  44 THR CG2  C  21.312 0.400 1 
      445  44  44 THR N    N 114.405 0.400 1 
      446  45  45 TYR H    H   8.559 0.020 1 
      447  45  45 TYR HA   H   4.946 0.020 1 
      448  45  45 TYR HB2  H   2.480 0.020 2 
      449  45  45 TYR HB3  H   2.854 0.020 2 
      450  45  45 TYR HD1  H   7.791 0.020 1 
      451  45  45 TYR HD2  H   7.791 0.020 1 
      452  45  45 TYR HE1  H   6.335 0.020 1 
      453  45  45 TYR HE2  H   6.335 0.020 1 
      454  45  45 TYR CA   C  56.317 0.400 1 
      455  45  45 TYR CB   C  41.007 0.400 1 
      456  45  45 TYR CD1  C 131.666 0.400 1 
      457  45  45 TYR CE1  C 116.897 0.400 1 
      458  45  45 TYR N    N 120.527 0.400 1 
      459  46  46 ASP H    H   7.604 0.020 1 
      460  46  46 ASP HA   H   4.564 0.020 1 
      461  46  46 ASP HB2  H   2.244 0.020 2 
      462  46  46 ASP HB3  H   2.582 0.020 2 
      463  46  46 ASP CA   C  51.153 0.400 1 
      464  46  46 ASP CB   C  42.435 0.400 1 
      465  46  46 ASP N    N 128.305 0.400 1 
      466  47  47 ASP H    H   8.550 0.020 1 
      467  47  47 ASP HA   H   4.115 0.020 1 
      468  47  47 ASP HB2  H   2.502 0.020 2 
      469  47  47 ASP HB3  H   2.806 0.020 2 
      470  47  47 ASP CA   C  55.741 0.400 1 
      471  47  47 ASP CB   C  41.549 0.400 1 
      472  47  47 ASP N    N 124.821 0.400 1 
      473  48  48 ALA H    H   8.319 0.020 1 
      474  48  48 ALA HA   H   4.105 0.020 1 
      475  48  48 ALA HB   H   1.482 0.020 1 
      476  48  48 ALA CA   C  54.624 0.400 1 
      477  48  48 ALA CB   C  17.741 0.400 1 
      478  48  48 ALA N    N 119.765 0.400 1 
      479  49  49 THR H    H   6.989 0.020 1 
      480  49  49 THR HA   H   4.380 0.020 1 
      481  49  49 THR HB   H   4.384 0.020 1 
      482  49  49 THR HG2  H   1.061 0.020 1 
      483  49  49 THR CA   C  59.812 0.400 1 
      484  49  49 THR CB   C  69.519 0.400 1 
      485  49  49 THR CG2  C  20.533 0.400 1 
      486  49  49 THR N    N 103.111 0.400 1 
      487  50  50 LYS H    H   7.840 0.020 1 
      488  50  50 LYS HA   H   4.167 0.020 1 
      489  50  50 LYS HB2  H   2.080 0.020 2 
      490  50  50 LYS HB3  H   2.022 0.020 2 
      491  50  50 LYS HG2  H   1.220 0.020 2 
      492  50  50 LYS HG3  H   1.397 0.020 2 
      493  50  50 LYS HD2  H   1.418 0.020 2 
      494  50  50 LYS HD3  H   1.677 0.020 2 
      495  50  50 LYS HE2  H   2.934 0.020 2 
      496  50  50 LYS HE3  H   3.084 0.020 2 
      497  50  50 LYS CA   C  56.039 0.400 1 
      498  50  50 LYS CB   C  28.705 0.400 1 
      499  50  50 LYS CG   C  24.059 0.400 1 
      500  50  50 LYS CD   C  27.791 0.400 1 
      501  50  50 LYS N    N 123.033 0.400 1 
      502  51  51 THR H    H   7.356 0.020 1 
      503  51  51 THR HA   H   5.477 0.020 1 
      504  51  51 THR HB   H   3.742 0.020 1 
      505  51  51 THR HG2  H   0.970 0.020 1 
      506  51  51 THR CA   C  61.620 0.400 1 
      507  51  51 THR CB   C  71.382 0.400 1 
      508  51  51 THR CG2  C  20.235 0.400 1 
      509  51  51 THR N    N 111.030 0.400 1 
      510  52  52 PHE H    H  10.378 0.020 1 
      511  52  52 PHE HA   H   5.660 0.020 1 
      512  52  52 PHE HB2  H   3.221 0.020 2 
      513  52  52 PHE HB3  H   3.288 0.020 2 
      514  52  52 PHE HD1  H   7.781 0.020 1 
      515  52  52 PHE HD2  H   7.781 0.020 1 
      516  52  52 PHE HE1  H   7.207 0.020 1 
      517  52  52 PHE HE2  H   7.207 0.020 1 
      518  52  52 PHE HZ   H   6.984 0.020 1 
      519  52  52 PHE CA   C  56.579 0.400 1 
      520  52  52 PHE CB   C  42.155 0.400 1 
      521  52  52 PHE CD1  C 131.677 0.400 1 
      522  52  52 PHE CE1  C 130.845 0.400 1 
      523  52  52 PHE CZ   C 130.572 0.400 1 
      524  52  52 PHE N    N 130.820 0.400 1 
      525  53  53 THR H    H   9.087 0.020 1 
      526  53  53 THR HA   H   5.194 0.020 1 
      527  53  53 THR HB   H   3.803 0.020 1 
      528  53  53 THR HG2  H   0.933 0.020 1 
      529  53  53 THR CA   C  60.937 0.400 1 
      530  53  53 THR CB   C  70.455 0.400 1 
      531  53  53 THR CG2  C  19.978 0.400 1 
      532  53  53 THR N    N 116.885 0.400 1 
      533  54  54 VAL H    H   8.177 0.020 1 
      534  54  54 VAL HA   H   4.463 0.020 1 
      535  54  54 VAL HB   H  -0.324 0.020 1 
      536  54  54 VAL HG1  H   0.365 0.020 2 
      537  54  54 VAL HG2  H  -0.364 0.020 2 
      538  54  54 VAL CA   C  57.398 0.400 1 
      539  54  54 VAL CB   C  31.788 0.400 1 
      540  54  54 VAL CG1  C  19.166 0.400 1 
      541  54  54 VAL CG2  C  20.192 0.400 1 
      542  54  54 VAL N    N 123.065 0.400 1 
      543  55  55 THR H    H   8.322 0.020 1 
      544  55  55 THR HA   H   4.691 0.020 1 
      545  55  55 THR HB   H   3.826 0.020 1 
      546  55  55 THR HG2  H   1.143 0.020 1 
      547  55  55 THR CA   C  60.411 0.400 1 
      548  55  55 THR CB   C  69.948 0.400 1 
      549  55  55 THR CG2  C  20.761 0.400 1 
      550  55  55 THR N    N 123.192 0.400 1 
      551  56  56 GLU H    H   8.086 0.020 1 
      552  56  56 GLU HA   H   4.517 0.020 1 
      553  56  56 GLU HB2  H   1.984 0.020 2 
      554  56  56 GLU HB3  H   2.146 0.020 2 
      555  56  56 GLU HG2  H   2.388 0.020 1 
      556  56  56 GLU HG3  H   2.388 0.020 1 
      557  56  56 GLU CA   C  55.735 0.400 1 
      558  56  56 GLU CB   C  31.402 0.400 1 
      559  56  56 GLU CG   C  36.079 0.400 1 
      560  56  56 GLU N    N 128.667 0.400 1 
      561  57  57 GLY H    H   8.762 0.020 1 
      562  57  57 GLY HA2  H   4.051 0.020 2 
      563  57  57 GLY HA3  H   3.928 0.020 2 
      564  57  57 GLY CA   C  44.569 0.400 1 
      565  57  57 GLY N    N 112.349 0.400 1 
      566  58  58 SER H    H   8.306 0.020 1 
      567  58  58 SER HA   H   4.430 0.020 1 
      568  58  58 SER HB2  H   3.811 0.020 1 
      569  58  58 SER HB3  H   3.811 0.020 1 
      570  58  58 SER CA   C  57.476 0.400 1 
      571  58  58 SER CB   C  63.353 0.400 1 
      572  58  58 SER N    N 115.095 0.400 1 
      573  59  59 ASN HA   H   4.661 0.020 1 
      574  59  59 ASN HB2  H   2.663 0.020 2 
      575  59  59 ASN HB3  H   2.740 0.020 2 
      576  59  59 ASN HD21 H   6.870 0.020 2 
      577  59  59 ASN HD22 H   7.554 0.020 2 
      578  59  59 ASN CA   C  52.684 0.400 1 
      579  59  59 ASN CB   C  38.280 0.400 1 
      580  59  59 ASN ND2  N 112.729 0.400 1 
      581  60  60 GLU H    H   8.254 0.020 1 
      582  60  60 GLU HA   H   4.157 0.020 1 
      583  60  60 GLU HB2  H   1.760 0.020 2 
      584  60  60 GLU HB3  H   1.846 0.020 2 
      585  60  60 GLU HG2  H   2.017 0.020 1 
      586  60  60 GLU CA   C  56.050 0.400 1 
      587  60  60 GLU CB   C  30.054 0.400 1 
      588  60  60 GLU CG   C  35.557 0.400 1 
      589  60  60 GLU N    N 120.738 0.400 1 
      590  61  61 PHE H    H   8.227 0.020 1 
      591  61  61 PHE HA   H   4.836 0.020 1 
      592  61  61 PHE HB2  H   2.913 0.020 2 
      593  61  61 PHE HB3  H   3.079 0.020 2 
      594  61  61 PHE HD1  H   7.247 0.020 1 
      595  61  61 PHE HD2  H   7.247 0.020 1 
      596  61  61 PHE HE1  H   7.436 0.020 1 
      597  61  61 PHE HE2  H   7.436 0.020 1 
      598  61  61 PHE HZ   H   7.228 0.020 1 
      599  61  61 PHE CA   C  54.935 0.400 1 
      600  61  61 PHE CB   C  38.540 0.400 1 
      601  61  61 PHE CD1  C 131.392 0.400 1 
      602  61  61 PHE CE1  C 129.478 0.400 1 
      603  61  61 PHE CZ   C 129.204 0.400 1 
      604  61  61 PHE N    N 121.332 0.400 1 
      605  62  62 PRO HA   H   4.411 0.020 1 
      606  62  62 PRO HB2  H   2.204 0.020 2 
      607  62  62 PRO HB3  H   1.915 0.020 2 
      608  62  62 PRO HG2  H   1.929 0.020 1 
      609  62  62 PRO HG3  H   1.929 0.020 1 
      610  62  62 PRO HD2  H   3.443 0.020 2 
      611  62  62 PRO HD3  H   3.682 0.020 2 
      612  62  62 PRO CA   C  62.599 0.400 1 
      613  62  62 PRO CB   C  31.400 0.400 1 
      614  62  62 PRO CG   C  26.824 0.400 1 
      615  62  62 PRO CD   C  50.009 0.400 1 
      616  63  63 LEU H    H   8.343 0.020 1 
      617  63  63 LEU HA   H   4.228 0.020 1 
      618  63  63 LEU HB2  H   1.557 0.020 2 
      619  63  63 LEU HB3  H   1.646 0.020 2 
      620  63  63 LEU HG   H   1.660 0.020 1 
      621  63  63 LEU HD1  H   0.912 0.020 2 
      622  63  63 LEU HD2  H   0.868 0.020 2 
      623  63  63 LEU CA   C  55.193 0.400 1 
      624  63  63 LEU CB   C  41.424 0.400 1 
      625  63  63 LEU CG   C  26.428 0.400 1 
      626  63  63 LEU CD1  C  24.555 0.400 1 
      627  63  63 LEU CD2  C  23.259 0.400 1 
      628  63  63 LEU N    N 122.281 0.400 1 
      629  64  64 CYS H    H   8.245 0.020 1 
      630  64  64 CYS HA   H   4.466 0.020 1 
      631  64  64 CYS HB2  H   2.875 0.020 2 
      632  64  64 CYS HB3  H   2.922 0.020 2 
      633  64  64 CYS CA   C  57.689 0.400 1 
      634  64  64 CYS CB   C  27.515 0.400 1 
      635  64  64 CYS N    N 118.360 0.400 1 
      636  65  65 SER H    H   8.163 0.020 1 
      637  65  65 SER HA   H   4.464 0.020 1 
      638  65  65 SER HB2  H   3.799 0.020 1 
      639  65  65 SER HB3  H   3.799 0.020 1 
      640  65  65 SER CA   C  57.666 0.400 1 
      641  65  65 SER CB   C  63.162 0.400 1 
      642  65  65 SER N    N 117.570 0.400 1 
      643  66  66 LEU H    H   7.932 0.020 1 
      644  66  66 LEU HA   H   4.268 0.020 1 
      645  66  66 LEU HB2  H   1.106 0.020 2 
      646  66  66 LEU HB3  H   1.474 0.020 2 
      647  66  66 LEU HG   H   1.376 0.020 1 
      648  66  66 LEU HD1  H   0.418 0.020 2 
      649  66  66 LEU HD2  H   0.161 0.020 2 
      650  66  66 LEU CA   C  52.160 0.400 1 
      651  66  66 LEU CB   C  41.303 0.400 1 
      652  66  66 LEU CG   C  25.979 0.400 1 
      653  66  66 LEU CD1  C  24.560 0.400 1 
      654  66  66 LEU CD2  C  22.617 0.400 1 
      655  66  66 LEU N    N 123.618 0.400 1 
      656  67  67 PRO HA   H   4.323 0.020 1 
      657  67  67 PRO HB2  H   1.722 0.020 2 
      658  67  67 PRO HB3  H   2.373 0.020 2 
      659  67  67 PRO HG2  H   1.869 0.020 1 
      660  67  67 PRO HG3  H   1.869 0.020 1 
      661  67  67 PRO HD2  H   3.628 0.020 2 
      662  67  67 PRO HD3  H   3.024 0.020 2 
      663  67  67 PRO CA   C  61.991 0.400 1 
      664  67  67 PRO CB   C  31.374 0.400 1 
      665  67  67 PRO CG   C  27.043 0.400 1 
      666  67  67 PRO CD   C  49.745 0.400 1 
      667  68  68 GLU H    H   8.491 0.020 1 
      668  68  68 GLU HA   H   3.999 0.020 1 
      669  68  68 GLU HB2  H   1.927 0.020 1 
      670  68  68 GLU HB3  H   1.927 0.020 1 
      671  68  68 GLU HG2  H   2.250 0.020 1 
      672  68  68 GLU HG3  H   2.250 0.020 1 
      673  68  68 GLU CA   C  57.134 0.400 1 
      674  68  68 GLU CB   C  29.156 0.400 1 
      675  68  68 GLU CG   C  35.573 0.400 1 
      676  68  68 GLU N    N 121.685 0.400 1 
      677  69  69 GLY H    H   8.648 0.020 1 
      678  69  69 GLY HA2  H   4.088 0.020 2 
      679  69  69 GLY HA3  H   3.708 0.020 2 
      680  69  69 GLY CA   C  44.602 0.400 1 
      681  69  69 GLY N    N 111.116 0.400 1 
      682  70  70 VAL H    H   7.226 0.020 1 
      683  70  70 VAL HA   H   3.900 0.020 1 
      684  70  70 VAL HB   H   1.880 0.020 1 
      685  70  70 VAL HG1  H   0.708 0.020 2 
      686  70  70 VAL HG2  H   0.806 0.020 2 
      687  70  70 VAL CA   C  61.496 0.400 1 
      688  70  70 VAL CB   C  32.197 0.400 1 
      689  70  70 VAL CG1  C  22.064 0.400 1 
      690  70  70 VAL CG2  C  21.296 0.400 1 
      691  70  70 VAL N    N 118.359 0.400 1 
      692  71  71 ASP H    H   8.683 0.020 1 
      693  71  71 ASP HA   H   4.517 0.020 1 
      694  71  71 ASP HB2  H   2.322 0.020 2 
      695  71  71 ASP HB3  H   2.662 0.020 2 
      696  71  71 ASP CA   C  53.326 0.400 1 
      697  71  71 ASP CB   C  41.541 0.400 1 
      698  71  71 ASP N    N 127.269 0.400 1 
      699  72  72 GLN H    H   8.957 0.020 1 
      700  72  72 GLN HA   H   3.818 0.020 1 
      701  72  72 GLN HB2  H   2.083 0.020 1 
      702  72  72 GLN HB3  H   2.083 0.020 1 
      703  72  72 GLN HG2  H   2.341 0.020 2 
      704  72  72 GLN HG3  H   2.398 0.020 2 
      705  72  72 GLN HE21 H   6.771 0.020 2 
      706  72  72 GLN HE22 H   7.529 0.020 2 
      707  72  72 GLN CA   C  58.673 0.400 1 
      708  72  72 GLN CB   C  27.944 0.400 1 
      709  72  72 GLN CG   C  33.299 0.400 1 
      710  72  72 GLN N    N 127.038 0.400 1 
      711  72  72 GLN NE2  N 111.198 0.400 1 
      712  73  73 GLU H    H   8.230 0.020 1 
      713  73  73 GLU HA   H   4.023 0.020 1 
      714  73  73 GLU HB2  H   2.094 0.020 1 
      715  73  73 GLU HB3  H   2.094 0.020 1 
      716  73  73 GLU HG2  H   2.199 0.020 2 
      717  73  73 GLU HG3  H   2.340 0.020 2 
      718  73  73 GLU CA   C  58.188 0.400 1 
      719  73  73 GLU CB   C  28.424 0.400 1 
      720  73  73 GLU CG   C  35.832 0.400 1 
      721  73  73 GLU N    N 118.406 0.400 1 
      722  74  74 VAL H    H   7.736 0.020 1 
      723  74  74 VAL HA   H   3.285 0.020 1 
      724  74  74 VAL HB   H   2.111 0.020 1 
      725  74  74 VAL HG1  H   0.682 0.020 2 
      726  74  74 VAL HG2  H   0.992 0.020 2 
      727  74  74 VAL CA   C  65.383 0.400 1 
      728  74  74 VAL CB   C  31.144 0.400 1 
      729  74  74 VAL CG1  C  20.218 0.400 1 
      730  74  74 VAL CG2  C  21.593 0.400 1 
      731  74  74 VAL N    N 119.834 0.400 1 
      732  75  75 PHE H    H   8.224 0.020 1 
      733  75  75 PHE HA   H   3.654 0.020 1 
      734  75  75 PHE HB2  H   2.869 0.020 2 
      735  75  75 PHE HB3  H   3.025 0.020 2 
      736  75  75 PHE HD1  H   6.931 0.020 1 
      737  75  75 PHE HD2  H   6.931 0.020 1 
      738  75  75 PHE HE1  H   7.234 0.020 1 
      739  75  75 PHE HE2  H   7.234 0.020 1 
      740  75  75 PHE HZ   H   7.197 0.020 1 
      741  75  75 PHE CA   C  61.232 0.400 1 
      742  75  75 PHE CB   C  39.626 0.400 1 
      743  75  75 PHE CD1  C 130.845 0.400 1 
      744  75  75 PHE CE1  C 130.845 0.400 1 
      745  75  75 PHE N    N 118.185 0.400 1 
      746  76  76 LYS H    H   7.628 0.020 1 
      747  76  76 LYS HA   H   3.795 0.020 1 
      748  76  76 LYS HB2  H   1.875 0.020 1 
      749  76  76 LYS HB3  H   1.875 0.020 1 
      750  76  76 LYS HG2  H   1.601 0.020 2 
      751  76  76 LYS HG3  H   1.664 0.020 2 
      752  76  76 LYS HD2  H   1.678 0.020 2 
      753  76  76 LYS HD3  H   1.713 0.020 2 
      754  76  76 LYS CA   C  57.652 0.400 1 
      755  76  76 LYS CB   C  31.976 0.400 1 
      756  76  76 LYS CG   C  24.862 0.400 1 
      757  76  76 LYS CD   C  28.975 0.400 1 
      758  76  76 LYS N    N 113.494 0.400 1 
      759  77  77 GLN H    H   7.471 0.020 1 
      760  77  77 GLN HA   H   4.198 0.020 1 
      761  77  77 GLN HB2  H   1.583 0.020 2 
      762  77  77 GLN HB3  H   2.164 0.020 2 
      763  77  77 GLN HG2  H   2.358 0.020 2 
      764  77  77 GLN HG3  H   2.253 0.020 2 
      765  77  77 GLN HE21 H   6.808 0.020 2 
      766  77  77 GLN HE22 H   7.429 0.020 2 
      767  77  77 GLN CA   C  54.467 0.400 1 
      768  77  77 GLN CB   C  28.671 0.400 1 
      769  77  77 GLN CG   C  33.249 0.400 1 
      770  77  77 GLN N    N 115.735 0.400 1 
      771  77  77 GLN NE2  N 112.362 0.400 1 
      772  78  78 LEU H    H   7.083 0.020 1 
      773  78  78 LEU HA   H   4.302 0.020 1 
      774  78  78 LEU HB2  H   0.918 0.020 2 
      775  78  78 LEU HB3  H   1.484 0.020 2 
      776  78  78 LEU HG   H   1.917 0.020 1 
      777  78  78 LEU HD1  H   0.621 0.020 2 
      778  78  78 LEU HD2  H   0.470 0.020 2 
      779  78  78 LEU CA   C  51.933 0.400 1 
      780  78  78 LEU CB   C  40.173 0.400 1 
      781  78  78 LEU CG   C  24.585 0.400 1 
      782  78  78 LEU CD1  C  25.987 0.400 1 
      783  78  78 LEU CD2  C  21.336 0.400 1 
      784  78  78 LEU N    N 119.615 0.400 1 
      785  79  79 PRO HA   H   4.468 0.020 1 
      786  79  79 PRO HB2  H   2.522 0.020 2 
      787  79  79 PRO HB3  H   2.083 0.020 2 
      788  79  79 PRO HG2  H   1.924 0.020 2 
      789  79  79 PRO HG3  H   1.992 0.020 2 
      790  79  79 PRO HD2  H   3.244 0.020 2 
      791  79  79 PRO HD3  H   3.573 0.020 2 
      792  79  79 PRO CA   C  61.505 0.400 1 
      793  79  79 PRO CB   C  31.956 0.400 1 
      794  79  79 PRO CG   C  27.307 0.400 1 
      795  79  79 PRO CD   C  49.733 0.400 1 
      796  80  80 VAL H    H   8.659 0.020 1 
      797  80  80 VAL HA   H   3.708 0.020 1 
      798  80  80 VAL HB   H   2.056 0.020 1 
      799  80  80 VAL HG1  H   0.969 0.020 2 
      800  80  80 VAL HG2  H   1.020 0.020 2 
      801  80  80 VAL CA   C  65.081 0.400 1 
      802  80  80 VAL CB   C  31.171 0.400 1 
      803  80  80 VAL CG1  C  20.194 0.400 1 
      804  80  80 VAL CG2  C  20.748 0.400 1 
      805  80  80 VAL N    N 122.107 0.400 1 
      806  81  81 ASP H    H   8.691 0.020 1 
      807  81  81 ASP HA   H   4.354 0.020 1 
      808  81  81 ASP HB2  H   2.527 0.020 2 
      809  81  81 ASP HB3  H   2.689 0.020 2 
      810  81  81 ASP CA   C  55.818 0.400 1 
      811  81  81 ASP CB   C  38.532 0.400 1 
      812  81  81 ASP N    N 117.312 0.400 1 
      813  82  82 ILE H    H   7.116 0.020 1 
      814  82  82 ILE HA   H   3.835 0.020 1 
      815  82  82 ILE HB   H   1.691 0.020 1 
      816  82  82 ILE HG12 H   1.027 0.020 2 
      817  82  82 ILE HG13 H   1.559 0.020 2 
      818  82  82 ILE HG2  H   0.863 0.020 1 
      819  82  82 ILE HD1  H   0.676 0.020 1 
      820  82  82 ILE CA   C  63.134 0.400 1 
      821  82  82 ILE CB   C  36.622 0.400 1 
      822  82  82 ILE CG1  C  27.976 0.400 1 
      823  82  82 ILE CG2  C  17.975 0.400 1 
      824  82  82 ILE CD1  C  11.690 0.400 1 
      825  82  82 ILE N    N 121.282 0.400 1 
      826  83  83 GLN H    H   8.039 0.020 1 
      827  83  83 GLN HA   H   3.582 0.020 1 
      828  83  83 GLN HB2  H   1.735 0.020 1 
      829  83  83 GLN HB3  H   1.735 0.020 1 
      830  83  83 GLN HG2  H   2.223 0.020 1 
      831  83  83 GLN HG3  H   2.223 0.020 1 
      832  83  83 GLN HE21 H   6.331 0.020 2 
      833  83  83 GLN HE22 H   6.921 0.020 2 
      834  83  83 GLN CA   C  59.313 0.400 1 
      835  83  83 GLN CB   C  27.308 0.400 1 
      836  83  83 GLN N    N 119.414 0.400 1 
      837  83  83 GLN NE2  N 110.886 0.400 1 
      838  84  84 GLU H    H   8.249 0.020 1 
      839  84  84 GLU HA   H   3.947 0.020 1 
      840  84  84 GLU HB2  H   2.020 0.020 2 
      841  84  84 GLU HB3  H   2.075 0.020 2 
      842  84  84 GLU HG2  H   2.444 0.020 2 
      843  84  84 GLU HG3  H   2.234 0.020 2 
      844  84  84 GLU CA   C  58.820 0.400 1 
      845  84  84 GLU CB   C  28.961 0.400 1 
      846  84  84 GLU CG   C  36.067 0.400 1 
      847  84  84 GLU N    N 115.831 0.400 1 
      848  85  85 GLU H    H   7.589 0.020 1 
      849  85  85 GLU HA   H   4.001 0.020 1 
      850  85  85 GLU HB2  H   2.176 0.020 2 
      851  85  85 GLU HB3  H   2.326 0.020 2 
      852  85  85 GLU HG2  H   2.479 0.020 2 
      853  85  85 GLU HG3  H   2.128 0.020 2 
      854  85  85 GLU CA   C  58.775 0.400 1 
      855  85  85 GLU CB   C  29.684 0.400 1 
      856  85  85 GLU CG   C  35.714 0.400 1 
      857  85  85 GLU N    N 121.288 0.400 1 
      858  86  86 ILE H    H   8.152 0.020 1 
      859  86  86 ILE HA   H   3.779 0.020 1 
      860  86  86 ILE HB   H   2.184 0.020 1 
      861  86  86 ILE HG12 H   1.196 0.020 2 
      862  86  86 ILE HG13 H   1.738 0.020 2 
      863  86  86 ILE HG2  H   0.899 0.020 1 
      864  86  86 ILE HD1  H   0.856 0.020 1 
      865  86  86 ILE CA   C  63.695 0.400 1 
      866  86  86 ILE CB   C  37.723 0.400 1 
      867  86  86 ILE CG1  C  28.401 0.400 1 
      868  86  86 ILE CG2  C  16.898 0.400 1 
      869  86  86 ILE CD1  C  14.700 0.400 1 
      870  86  86 ILE N    N 120.118 0.400 1 
      871  87  87 LEU H    H   8.266 0.020 1 
      872  87  87 LEU HA   H   4.073 0.020 1 
      873  87  87 LEU HB2  H   1.865 0.020 2 
      874  87  87 LEU HB3  H   1.540 0.020 2 
      875  87  87 LEU HG   H   1.919 0.020 1 
      876  87  87 LEU HD1  H   0.891 0.020 2 
      877  87  87 LEU HD2  H   0.703 0.020 2 
      878  87  87 LEU CA   C  56.500 0.400 1 
      879  87  87 LEU CB   C  41.299 0.400 1 
      880  87  87 LEU CG   C  26.226 0.400 1 
      881  87  87 LEU CD1  C  25.132 0.400 1 
      882  87  87 LEU CD2  C  22.092 0.400 1 
      883  87  87 LEU N    N 118.574 0.400 1 
      884  88  88 SER H    H   8.081 0.020 1 
      885  88  88 SER HA   H   4.402 0.020 1 
      886  88  88 SER HB2  H   3.997 0.020 1 
      887  88  88 SER HB3  H   3.997 0.020 1 
      888  88  88 SER CA   C  59.317 0.400 1 
      889  88  88 SER CB   C  63.412 0.400 1 
      890  88  88 SER N    N 112.968 0.400 1 
      891  89  89 GLY H    H   8.005 0.020 1 
      892  89  89 GLY HA2  H   3.937 0.020 2 
      893  89  89 GLY HA3  H   4.041 0.020 2 
      894  89  89 GLY CA   C  45.607 0.400 1 
      895  89  89 GLY N    N 110.018 0.400 1 
      896  90  90 LYS H    H   8.008 0.020 1 
      897  90  90 LYS HA   H   4.317 0.020 1 
      898  90  90 LYS HB2  H   1.711 0.020 2 
      899  90  90 LYS HB3  H   1.850 0.020 2 
      900  90  90 LYS HG2  H   1.413 0.020 1 
      901  90  90 LYS HG3  H   1.413 0.020 1 
      902  90  90 LYS HD2  H   1.631 0.020 1 
      903  90  90 LYS HD3  H   1.631 0.020 1 
      904  90  90 LYS HE2  H   2.935 0.020 1 
      905  90  90 LYS HE3  H   2.935 0.020 1 
      906  90  90 LYS CA   C  55.959 0.400 1 
      907  90  90 LYS CB   C  32.554 0.400 1 
      908  90  90 LYS CG   C  24.038 0.400 1 
      909  90  90 LYS CD   C  28.412 0.400 1 
      910  90  90 LYS CE   C  41.509 0.400 1 
      911  90  90 LYS N    N 119.834 0.400 1 
      912  91  91 SER H    H   8.179 0.020 1 
      913  91  91 SER HA   H   4.357 0.020 1 
      914  91  91 SER HB2  H   3.873 0.020 1 
      915  91  91 SER HB3  H   3.873 0.020 1 
      916  91  91 SER CA   C  58.171 0.400 1 
      917  91  91 SER CB   C  63.087 0.400 1 
      918  91  91 SER N    N 115.231 0.400 1 
      919  92  92 ARG H    H   8.383 0.020 1 
      920  92  92 ARG HA   H   4.275 0.020 1 
      921  92  92 ARG CA   C  55.985 0.400 1 
      922  92  92 ARG N    N 122.647 0.400 1 
      923  93  93 GLU H    H   8.408 0.020 1 
      924  93  93 GLU HA   H   4.055 0.020 1 
      925  93  93 GLU HB2  H   1.918 0.020 1 
      926  93  93 GLU HB3  H   1.918 0.020 1 
      927  93  93 GLU HG2  H   2.236 0.020 1 
      928  93  93 GLU HG3  H   2.236 0.020 1 
      929  93  93 GLU CA   C  56.594 0.400 1 
      930  93  93 GLU CB   C  29.448 0.400 1 
      931  93  93 GLU CG   C  36.071 0.400 1 
      932  93  93 GLU N    N 120.781 0.400 1 
      933  94  94 LYS H    H   8.148 0.020 1 
      934  94  94 LYS HA   H   4.198 0.020 1 
      935  94  94 LYS HB2  H   1.657 0.020 1 
      936  94  94 LYS HB3  H   1.657 0.020 1 
      937  94  94 LYS HG2  H   1.317 0.020 1 
      938  94  94 LYS HG3  H   1.317 0.020 1 
      939  94  94 LYS CA   C  56.035 0.400 1 
      940  94  94 LYS CB   C  32.172 0.400 1 
      941  94  94 LYS CG   C  24.031 0.400 1 
      942  94  94 LYS N    N 120.821 0.400 1 
      943  95  95 PHE H    H   8.172 0.020 1 
      944  95  95 PHE HA   H   4.562 0.020 1 
      945  95  95 PHE HB2  H   3.002 0.020 2 
      946  95  95 PHE HB3  H   3.100 0.020 2 
      947  95  95 PHE HD1  H   7.204 0.020 1 
      948  95  95 PHE HD2  H   7.204 0.020 1 
      949  95  95 PHE HE1  H   7.268 0.020 1 
      950  95  95 PHE HE2  H   7.268 0.020 1 
      951  95  95 PHE HZ   H   7.239 0.020 1 
      952  95  95 PHE CA   C  57.341 0.400 1 
      953  95  95 PHE CB   C  38.844 0.400 1 
      954  95  95 PHE CD1  C 131.130 0.400 1 
      955  95  95 PHE CE1  C 130.845 0.400 1 
      956  95  95 PHE N    N 120.657 0.400 1 
      957  96  96 GLN H    H   8.256 0.020 1 
      958  96  96 GLN HA   H   4.283 0.020 1 
      959  96  96 GLN HB2  H   1.913 0.020 1 
      960  96  96 GLN HE21 H   6.844 0.020 2 
      961  96  96 GLN HE22 H   7.499 0.020 2 
      962  96  96 GLN CA   C  55.430 0.400 1 
      963  96  96 GLN CB   C  28.936 0.400 1 
      964  96  96 GLN N    N 121.865 0.400 1 
      965  96  96 GLN NE2  N 112.095 0.400 1 
      966  97  97 GLY H    H   7.926 0.020 1 
      967  97  97 GLY N    N 109.195 0.400 1 
      968  98  98 LYS H    H   8.145 0.020 1 
      969  98  98 LYS HA   H   4.302 0.020 1 
      970  98  98 LYS HB2  H   1.691 0.020 1 
      971  98  98 LYS CA   C  55.640 0.400 1 
      972  98  98 LYS CB   C  32.448 0.400 1 
      973  98  98 LYS N    N 120.394 0.400 1 
      974  99  99 LEU H    H   8.289 0.020 1 
      975  99  99 LEU HA   H   4.289 0.020 1 
      976  99  99 LEU HB2  H   1.438 0.020 1 
      977  99  99 LEU HG   H   1.539 0.020 1 
      978  99  99 LEU HD1  H   0.840 0.020 2 
      979  99  99 LEU HD2  H   0.803 0.020 2 
      980  99  99 LEU CA   C  54.494 0.400 1 
      981  99  99 LEU CB   C  41.766 0.400 1 
      982  99  99 LEU CG   C  26.484 0.400 1 
      983  99  99 LEU CD1  C  24.541 0.400 1 
      984  99  99 LEU CD2  C  22.959 0.400 1 
      985  99  99 LEU N    N 123.254 0.400 1 
      986 100 100 GLU H    H   8.339 0.020 1 
      987 100 100 GLU HB2  H   1.842 0.020 1 
      988 100 100 GLU HB3  H   1.842 0.020 1 
      989 100 100 GLU HG2  H   2.112 0.020 1 
      990 100 100 GLU HG3  H   2.112 0.020 1 
      991 100 100 GLU CB   C  29.695 0.400 1 
      992 100 100 GLU CG   C  35.547 0.400 1 
      993 100 100 GLU N    N 121.442 0.400 1 

   stop_

save_


save_assigned_chem_shift_list_1_2
   _Saveframe_category               assigned_chemical_shifts

   _Details                          .

   loop_
      _Experiment_label

      '2D 1H-15N HSQC'                   
      '3D sparse-sampled HNCO'           
      '3D sparse-sampled HNCA'           
      '3D sparse-sampled HNCACB'         
      '3D sparse-sampled HN(CO)CA'       
      '3D sparse-sampled HN(COCA)CB'     
      '3D (HACA)CO(CA)NH'                
      '3D sparse-sampled HA(CACO)NH'     
      '3D sparse-sampled HA(CA)NH'       
      '4D sparse-sampled HC(CO)NH-TOCSY' 

   stop_

   loop_
      _Sample_label

      $15N_labeled    
      $13C15N_labeled 

   stop_

   _Sample_conditions_label         $sample_conditions_1
   _Chem_shift_reference_set_label  $chemical_shift_reference_1
   _Mol_system_component_name        ubiquitin
   _Text_data_format                 .
   _Text_data                        .

   loop_
      _Atom_shift_assign_ID
      _Residue_author_seq_code
      _Residue_seq_code
      _Residue_label
      _Atom_name
      _Atom_type
      _Chem_shift_value
      _Chem_shift_value_error
      _Chem_shift_ambiguity_code

        1 200  3 HIS HA   H   4.701 0.020 1 
        2 200  3 HIS HB2  H   3.027 0.020 1 
        3 200  3 HIS HB3  H   3.027 0.020 1 
        4 200  3 HIS HD2  H   6.896 0.020 1 
        5 200  3 HIS CA   C  55.778 0.400 1 
        6 200  3 HIS CB   C  30.309 0.400 1 
        7 201  4 MET H    H   9.176 0.020 1 
        8 201  4 MET HA   H   4.659 0.020 1 
        9 201  4 MET HB2  H   1.851 0.020 1 
       10 201  4 MET HB3  H   1.851 0.020 1 
       11 201  4 MET HG2  H   2.367 0.020 2 
       12 201  4 MET HG3  H   1.984 0.020 2 
       13 201  4 MET HE   H   1.611 0.020 1 
       14 201  4 MET CA   C  53.802 0.400 1 
       15 201  4 MET CB   C  34.435 0.400 1 
       16 201  4 MET CG   C  31.378 0.400 1 
       17 201  4 MET CE   C  17.257 0.400 1 
       18 201  4 MET N    N 119.642 0.400 1 
       19 202  5 GLN H    H   8.404 0.020 1 
       20 202  5 GLN HA   H   5.351 0.020 1 
       21 202  5 GLN HB2  H   2.174 0.020 2 
       22 202  5 GLN HB3  H   1.925 0.020 2 
       23 202  5 GLN HG2  H   1.605 0.020 2 
       24 202  5 GLN HG3  H   1.782 0.020 2 
       25 202  5 GLN HE21 H   6.718 0.020 2 
       26 202  5 GLN HE22 H   7.664 0.020 2 
       27 202  5 GLN CA   C  53.685 0.400 1 
       28 202  5 GLN CB   C  33.878 0.400 1 
       29 202  5 GLN CG   C  30.249 0.400 1 
       30 202  5 GLN N    N 120.764 0.400 1 
       31 202  5 GLN NE2  N 111.755 0.400 1 
       32 203  6 ILE H    H   8.285 0.020 1 
       33 203  6 ILE HA   H   4.149 0.020 1 
       34 203  6 ILE HB   H   1.745 0.020 1 
       35 203  6 ILE HG12 H   0.792 0.020 2 
       36 203  6 ILE HG13 H   1.035 0.020 2 
       37 203  6 ILE HG2  H   0.604 0.020 1 
       38 203  6 ILE HD1  H   0.566 0.020 1 
       39 203  6 ILE CA   C  59.034 0.400 1 
       40 203  6 ILE CB   C  41.528 0.400 1 
       41 203  6 ILE CG2  C  17.395 0.400 1 
       42 203  6 ILE CD1  C  13.650 0.400 1 
       43 203  6 ILE N    N 114.142 0.400 1 
       44 204  7 PHE H    H   8.576 0.020 1 
       45 204  7 PHE HA   H   5.511 0.020 1 
       46 204  7 PHE HB2  H   2.826 0.020 2 
       47 204  7 PHE HB3  H   3.014 0.020 2 
       48 204  7 PHE HD1  H   7.037 0.020 1 
       49 204  7 PHE HD2  H   7.037 0.020 1 
       50 204  7 PHE HE1  H   7.198 0.020 1 
       51 204  7 PHE HE2  H   7.198 0.020 1 
       52 204  7 PHE HZ   H   7.220 0.020 1 
       53 204  7 PHE CA   C  54.633 0.400 1 
       54 204  7 PHE CB   C  40.694 0.400 1 
       55 204  7 PHE CD1  C 131.392 0.400 1 
       56 204  7 PHE CE1  C 130.298 0.400 1 
       57 204  7 PHE CZ   C 128.978 0.400 1 
       58 204  7 PHE N    N 118.336 0.400 1 
       59 205  8 VAL H    H   9.357 0.020 1 
       60 205  8 VAL HA   H   4.775 0.020 1 
       61 205  8 VAL HB   H   1.890 0.020 1 
       62 205  8 VAL HG1  H   0.696 0.020 2 
       63 205  8 VAL HG2  H   0.659 0.020 2 
       64 205  8 VAL CA   C  59.853 0.400 1 
       65 205  8 VAL CB   C  33.400 0.400 1 
       66 205  8 VAL CG1  C  20.249 0.400 1 
       67 205  8 VAL CG2  C  22.171 0.400 1 
       68 205  8 VAL N    N 121.834 0.400 1 
       69 206  9 LYS H    H   9.074 0.020 1 
       70 206  9 LYS HA   H   5.556 0.020 1 
       71 206  9 LYS HB2  H   1.726 0.020 2 
       72 206  9 LYS HB3  H   1.508 0.020 2 
       73 206  9 LYS HG2  H   1.280 0.020 2 
       74 206  9 LYS HG3  H   1.530 0.020 2 
       75 206  9 LYS HD2  H   1.570 0.020 1 
       76 206  9 LYS HD3  H   1.570 0.020 1 
       77 206  9 LYS HE2  H   2.836 0.020 1 
       78 206  9 LYS HE3  H   2.836 0.020 1 
       79 206  9 LYS CA   C  53.574 0.400 1 
       80 206  9 LYS CB   C  34.914 0.400 1 
       81 206  9 LYS CG   C  24.808 0.400 1 
       82 206  9 LYS CD   C  28.875 0.400 1 
       83 206  9 LYS CE   C  41.364 0.400 1 
       84 206  9 LYS N    N 127.957 0.400 1 
       85 207 10 THR H    H   8.785 0.020 1 
       86 207 10 THR HA   H   5.103 0.020 1 
       87 207 10 THR HB   H   4.866 0.020 1 
       88 207 10 THR HG2  H   1.193 0.020 1 
       89 207 10 THR CA   C  59.573 0.400 1 
       90 207 10 THR CB   C  70.039 0.400 1 
       91 207 10 THR CG2  C  21.034 0.400 1 
       92 207 10 THR N    N 114.380 0.400 1 
       93 208 11 LEU H    H   8.803 0.020 1 
       94 208 11 LEU HA   H   4.223 0.020 1 
       95 208 11 LEU HB2  H   1.846 0.020 2 
       96 208 11 LEU HB3  H   1.939 0.020 2 
       97 208 11 LEU HG   H   1.981 0.020 1 
       98 208 11 LEU HD1  H   1.074 0.020 2 
       99 208 11 LEU HD2  H   1.008 0.020 2 
      100 208 11 LEU CA   C  56.592 0.400 1 
      101 208 11 LEU CB   C  42.306 0.400 1 
      102 208 11 LEU CG   C  26.709 0.400 1 
      103 208 11 LEU CD1  C  24.839 0.400 1 
      104 208 11 LEU CD2  C  24.585 0.400 1 
      105 208 11 LEU N    N 119.226 0.400 1 
      106 209 12 THR H    H   7.506 0.020 1 
      107 209 12 THR HA   H   4.576 0.020 1 
      108 209 12 THR HB   H   4.577 0.020 1 
      109 209 12 THR HG2  H   1.212 0.020 1 
      110 209 12 THR CA   C  60.439 0.400 1 
      111 209 12 THR CB   C  68.578 0.400 1 
      112 209 12 THR CG2  C  21.269 0.400 1 
      113 209 12 THR N    N 103.271 0.400 1 
      114 210 13 GLY H    H   8.099 0.020 1 
      115 210 13 GLY HA2  H   3.531 0.020 2 
      116 210 13 GLY HA3  H   4.360 0.020 2 
      117 210 13 GLY CA   C  44.829 0.400 1 
      118 210 13 GLY N    N 109.377 0.400 1 
      119 211 14 LYS H    H   7.319 0.020 1 
      120 211 14 LYS HA   H   4.272 0.020 1 
      121 211 14 LYS HB2  H   1.701 0.020 2 
      122 211 14 LYS HB3  H   1.819 0.020 2 
      123 211 14 LYS HG2  H   1.411 0.020 2 
      124 211 14 LYS HG3  H   1.198 0.020 2 
      125 211 14 LYS HD2  H   1.594 0.020 1 
      126 211 14 LYS HD3  H   1.594 0.020 1 
      127 211 14 LYS HE2  H   2.882 0.020 1 
      128 211 14 LYS HE3  H   2.882 0.020 1 
      129 211 14 LYS CA   C  56.005 0.400 1 
      130 211 14 LYS CB   C  32.766 0.400 1 
      131 211 14 LYS CG   C  24.820 0.400 1 
      132 211 14 LYS CD   C  28.890 0.400 1 
      133 211 14 LYS CE   C  41.268 0.400 1 
      134 211 14 LYS N    N 122.685 0.400 1 
      135 212 15 THR H    H   8.602 0.020 1 
      136 212 15 THR HA   H   5.046 0.020 1 
      137 212 15 THR HB   H   3.916 0.020 1 
      138 212 15 THR HG2  H   1.055 0.020 1 
      139 212 15 THR CA   C  61.817 0.400 1 
      140 212 15 THR CB   C  69.178 0.400 1 
      141 212 15 THR CG2  C  21.306 0.400 1 
      142 212 15 THR N    N 120.675 0.400 1 
      143 213 16 ILE H    H   9.715 0.020 1 
      144 213 16 ILE HA   H   4.404 0.020 1 
      145 213 16 ILE HB   H   1.834 0.020 1 
      146 213 16 ILE HG12 H   1.036 0.020 2 
      147 213 16 ILE HG13 H   1.438 0.020 2 
      148 213 16 ILE HG2  H   0.845 0.020 1 
      149 213 16 ILE HD1  H   0.685 0.020 1 
      150 213 16 ILE CA   C  59.570 0.400 1 
      151 213 16 ILE CB   C  40.459 0.400 1 
      152 213 16 ILE CG1  C  26.548 0.400 1 
      153 213 16 ILE CG2  C  17.173 0.400 1 
      154 213 16 ILE CD1  C  14.128 0.400 1 
      155 213 16 ILE N    N 129.294 0.400 1 
      156 214 17 THR H    H   8.761 0.020 1 
      157 214 17 THR HA   H   4.900 0.020 1 
      158 214 17 THR HB   H   3.993 0.020 1 
      159 214 17 THR HG2  H   1.096 0.020 1 
      160 214 17 THR CA   C  61.724 0.400 1 
      161 214 17 THR CB   C  68.907 0.400 1 
      162 214 17 THR CG2  C  21.119 0.400 1 
      163 214 17 THR N    N 122.640 0.400 1 
      164 215 18 LEU H    H   8.713 0.020 1 
      165 215 18 LEU HA   H   4.755 0.020 1 
      166 215 18 LEU HB2  H   1.176 0.020 2 
      167 215 18 LEU HB3  H   1.358 0.020 2 
      168 215 18 LEU HG   H   1.391 0.020 1 
      169 215 18 LEU HD1  H   0.686 0.020 2 
      170 215 18 LEU HD2  H   0.730 0.020 2 
      171 215 18 LEU CA   C  52.203 0.400 1 
      172 215 18 LEU CB   C  46.380 0.400 1 
      173 215 18 LEU CG   C  26.197 0.400 1 
      174 215 18 LEU CD1  C  26.705 0.400 1 
      175 215 18 LEU CD2  C  23.537 0.400 1 
      176 215 18 LEU N    N 124.951 0.400 1 
      177 216 19 GLU H    H   8.142 0.020 1 
      178 216 19 GLU HA   H   4.886 0.020 1 
      179 216 19 GLU HB2  H   1.787 0.020 2 
      180 216 19 GLU HB3  H   1.847 0.020 2 
      181 216 19 GLU HG2  H   2.040 0.020 2 
      182 216 19 GLU HG3  H   2.150 0.020 2 
      183 216 19 GLU CA   C  54.909 0.400 1 
      184 216 19 GLU CB   C  29.806 0.400 1 
      185 216 19 GLU CG   C  36.108 0.400 1 
      186 216 19 GLU N    N 121.581 0.400 1 
      187 217 20 VAL H    H   8.811 0.020 1 
      188 217 20 VAL HA   H   4.717 0.020 1 
      189 217 20 VAL HB   H   2.359 0.020 1 
      190 217 20 VAL HG1  H   0.647 0.020 2 
      191 217 20 VAL HG2  H   0.446 0.020 2 
      192 217 20 VAL CA   C  58.052 0.400 1 
      193 217 20 VAL CB   C  35.828 0.400 1 
      194 217 20 VAL CG1  C  21.570 0.400 1 
      195 217 20 VAL CG2  C  18.810 0.400 1 
      196 217 20 VAL N    N 116.443 0.400 1 
      197 218 21 GLU H    H   8.568 0.020 1 
      198 218 21 GLU HA   H   4.909 0.020 1 
      199 218 21 GLU HB2  H   1.613 0.020 2 
      200 218 21 GLU HB3  H   1.992 0.020 2 
      201 218 21 GLU HG2  H   1.945 0.020 2 
      202 218 21 GLU HG3  H   2.083 0.020 2 
      203 218 21 GLU CA   C  52.791 0.400 1 
      204 218 21 GLU CB   C  30.879 0.400 1 
      205 218 21 GLU CG   C  35.845 0.400 1 
      206 218 21 GLU N    N 118.305 0.400 1 
      207 219 22 PRO HA   H   4.086 0.020 1 
      208 219 22 PRO HB2  H   2.389 0.020 2 
      209 219 22 PRO HB3  H   1.960 0.020 2 
      210 219 22 PRO HG2  H   2.014 0.020 2 
      211 219 22 PRO HG3  H   2.140 0.020 2 
      212 219 22 PRO HD2  H   3.775 0.020 2 
      213 219 22 PRO HD3  H   3.870 0.020 2 
      214 219 22 PRO CA   C  64.839 0.400 1 
      215 219 22 PRO CB   C  31.372 0.400 1 
      216 219 22 PRO CG   C  27.372 0.400 1 
      217 219 22 PRO CD   C  50.032 0.400 1 
      218 220 23 SER H    H   7.048 0.020 1 
      219 220 23 SER HA   H   4.317 0.020 1 
      220 220 23 SER HB2  H   3.733 0.020 2 
      221 220 23 SER HB3  H   4.093 0.020 2 
      222 220 23 SER CA   C  56.846 0.400 1 
      223 220 23 SER CB   C  62.640 0.400 1 
      224 220 23 SER N    N 103.487 0.400 1 
      225 221 24 ASP H    H   8.012 0.020 1 
      226 221 24 ASP HA   H   4.646 0.020 1 
      227 221 24 ASP HB2  H   2.909 0.020 2 
      228 221 24 ASP HB3  H   2.458 0.020 2 
      229 221 24 ASP CA   C  55.438 0.400 1 
      230 221 24 ASP CB   C  40.419 0.400 1 
      231 221 24 ASP N    N 123.685 0.400 1 
      232 222 25 THR H    H   7.813 0.020 1 
      233 222 25 THR HA   H   4.867 0.020 1 
      234 222 25 THR HB   H   4.799 0.020 1 
      235 222 25 THR HG2  H   1.223 0.020 1 
      236 222 25 THR CA   C  58.978 0.400 1 
      237 222 25 THR CB   C  70.510 0.400 1 
      238 222 25 THR CG2  C  21.574 0.400 1 
      239 222 25 THR N    N 108.936 0.400 1 
      240 223 26 ILE H    H   8.512 0.020 1 
      241 223 26 ILE HA   H   3.628 0.020 1 
      242 223 26 ILE HB   H   2.560 0.020 1 
      243 223 26 ILE HG12 H   1.277 0.020 2 
      244 223 26 ILE HG13 H   1.906 0.020 2 
      245 223 26 ILE HG2  H   0.758 0.020 1 
      246 223 26 ILE HD1  H   0.542 0.020 1 
      247 223 26 ILE CA   C  61.708 0.400 1 
      248 223 26 ILE CB   C  33.808 0.400 1 
      249 223 26 ILE CG1  C  27.279 0.400 1 
      250 223 26 ILE CG2  C  17.555 0.400 1 
      251 223 26 ILE CD1  C   8.756 0.400 1 
      252 223 26 ILE N    N 121.443 0.400 1 
      253 224 27 GLU H    H   9.779 0.020 1 
      254 224 27 GLU HA   H   3.810 0.020 1 
      255 224 27 GLU HB2  H   2.003 0.020 2 
      256 224 27 GLU HB3  H   2.085 0.020 2 
      257 224 27 GLU HG2  H   2.250 0.020 1 
      258 224 27 GLU HG3  H   2.250 0.020 1 
      259 224 27 GLU CA   C  59.563 0.400 1 
      260 224 27 GLU CB   C  28.461 0.400 1 
      261 224 27 GLU CG   C  35.546 0.400 1 
      262 224 27 GLU N    N 120.709 0.400 1 
      263 225 28 ASN H    H   7.934 0.020 1 
      264 225 28 ASN HA   H   4.565 0.020 1 
      265 225 28 ASN HB2  H   3.213 0.020 2 
      266 225 28 ASN HB3  H   2.805 0.020 2 
      267 225 28 ASN HD21 H   6.882 0.020 2 
      268 225 28 ASN HD22 H   7.867 0.020 2 
      269 225 28 ASN CA   C  55.298 0.400 1 
      270 225 28 ASN CB   C  37.671 0.400 1 
      271 225 28 ASN N    N 121.015 0.400 1 
      272 225 28 ASN ND2  N 109.609 0.400 1 
      273 226 29 VAL H    H   8.145 0.020 1 
      274 226 29 VAL HA   H   3.361 0.020 1 
      275 226 29 VAL HB   H   2.267 0.020 1 
      276 226 29 VAL HG1  H   0.679 0.020 2 
      277 226 29 VAL HG2  H   0.938 0.020 2 
      278 226 29 VAL CA   C  67.191 0.400 1 
      279 226 29 VAL CB   C  30.277 0.400 1 
      280 226 29 VAL CG1  C  21.058 0.400 1 
      281 226 29 VAL CG2  C  23.162 0.400 1 
      282 226 29 VAL N    N 122.130 0.400 1 
      283 227 30 LYS H    H   8.505 0.020 1 
      284 227 30 LYS HA   H   4.570 0.020 1 
      285 227 30 LYS HB2  H   1.386 0.020 2 
      286 227 30 LYS HB3  H   1.980 0.020 2 
      287 227 30 LYS HG3  H   1.576 0.020 1 
      288 227 30 LYS HE2  H   2.519 0.020 1 
      289 227 30 LYS HE3  H   2.519 0.020 1 
      290 227 30 LYS CA   C  58.739 0.400 1 
      291 227 30 LYS N    N 119.034 0.400 1 
      292 228 31 ALA H    H   7.958 0.020 1 
      293 228 31 ALA HA   H   4.118 0.020 1 
      294 228 31 ALA HB   H   1.601 0.020 1 
      295 228 31 ALA CA   C  54.705 0.400 1 
      296 228 31 ALA CB   C  17.190 0.400 1 
      297 228 31 ALA N    N 123.314 0.400 1 
      298 229 32 LYS H    H   7.922 0.020 1 
      299 229 32 LYS HA   H   4.169 0.020 1 
      300 229 32 LYS HB2  H   2.124 0.020 2 
      301 229 32 LYS HB3  H   1.927 0.020 2 
      302 229 32 LYS HG2  H   1.775 0.020 2 
      303 229 32 LYS HG3  H   1.588 0.020 2 
      304 229 32 LYS HD2  H   1.413 0.020 2 
      305 229 32 LYS HD3  H   1.776 0.020 2 
      306 229 32 LYS HE2  H   2.922 0.020 2 
      307 229 32 LYS HE3  H   3.180 0.020 2 
      308 229 32 LYS CA   C  59.317 0.400 1 
      309 229 32 LYS CB   C  32.789 0.400 1 
      310 229 32 LYS CG   C  25.949 0.400 1 
      311 229 32 LYS CD   C  29.710 0.400 1 
      312 229 32 LYS CE   C  41.788 0.400 1 
      313 229 32 LYS N    N 120.410 0.400 1 
      314 230 33 ILE H    H   8.274 0.020 1 
      315 230 33 ILE HA   H   3.479 0.020 1 
      316 230 33 ILE HB   H   2.326 0.020 1 
      317 230 33 ILE HG12 H   0.667 0.020 2 
      318 230 33 ILE HG13 H   1.990 0.020 2 
      319 230 33 ILE HG2  H   0.672 0.020 1 
      320 230 33 ILE HD1  H   0.867 0.020 1 
      321 230 33 ILE CA   C  65.592 0.400 1 
      322 230 33 ILE CB   C  36.104 0.400 1 
      323 230 33 ILE CG1  C  30.614 0.400 1 
      324 230 33 ILE CG2  C  16.565 0.400 1 
      325 230 33 ILE CD1  C  14.511 0.400 1 
      326 230 33 ILE N    N 121.373 0.400 1 
      327 231 34 GLN H    H   8.486 0.020 1 
      328 231 34 GLN HA   H   3.793 0.020 1 
      329 231 34 GLN HB2  H   1.983 0.020 2 
      330 231 34 GLN HB3  H   2.483 0.020 2 
      331 231 34 GLN HG2  H   1.892 0.020 2 
      332 231 34 GLN HG3  H   2.206 0.020 2 
      333 231 34 GLN HE21 H   7.643 0.020 2 
      334 231 34 GLN HE22 H   6.795 0.020 2 
      335 231 34 GLN CA   C  59.524 0.400 1 
      336 231 34 GLN CB   C  27.094 0.400 1 
      337 231 34 GLN CG   C  33.260 0.400 1 
      338 231 34 GLN N    N 123.532 0.400 1 
      339 231 34 GLN NE2  N 110.080 0.400 1 
      340 232 35 ASP H    H   8.064 0.020 1 
      341 232 35 ASP HA   H   4.297 0.020 1 
      342 232 35 ASP HB2  H   2.715 0.020 2 
      343 232 35 ASP HB3  H   2.811 0.020 2 
      344 232 35 ASP CA   C  56.882 0.400 1 
      345 232 35 ASP CB   C  40.474 0.400 1 
      346 232 35 ASP N    N 119.882 0.400 1 
      347 233 36 LYS H    H   7.476 0.020 1 
      348 233 36 LYS HA   H   4.263 0.020 1 
      349 233 36 LYS HB2  H   1.813 0.020 2 
      350 233 36 LYS HB3  H   1.977 0.020 2 
      351 233 36 LYS HG2  H   1.574 0.020 1 
      352 233 36 LYS HG3  H   1.574 0.020 1 
      353 233 36 LYS HD2  H   1.683 0.020 1 
      354 233 36 LYS HD3  H   1.683 0.020 1 
      355 233 36 LYS HE2  H   3.100 0.020 2 
      356 233 36 LYS HE3  H   3.148 0.020 2 
      357 233 36 LYS CA   C  57.733 0.400 1 
      358 233 36 LYS CB   C  33.373 0.400 1 
      359 233 36 LYS CG   C  24.816 0.400 1 
      360 233 36 LYS CD   C  28.379 0.400 1 
      361 233 36 LYS CE   C  41.267 0.400 1 
      362 233 36 LYS N    N 115.529 0.400 1 
      363 234 37 GLU H    H   8.683 0.020 1 
      364 234 37 GLU HA   H   4.548 0.020 1 
      365 234 37 GLU HB2  H   1.637 0.020 2 
      366 234 37 GLU HB3  H   2.246 0.020 2 
      367 234 37 GLU HG2  H   2.036 0.020 2 
      368 234 37 GLU HG3  H   2.149 0.020 2 
      369 234 37 GLU CA   C  54.705 0.400 1 
      370 234 37 GLU CB   C  32.746 0.400 1 
      371 234 37 GLU CG   C  35.751 0.400 1 
      372 234 37 GLU N    N 113.898 0.400 1 
      373 235 38 GLY H    H   8.468 0.020 1 
      374 235 38 GLY HA2  H   3.889 0.020 2 
      375 235 38 GLY HA3  H   4.102 0.020 2 
      376 235 38 GLY CA   C  45.372 0.400 1 
      377 235 38 GLY N    N 108.842 0.400 1 
      378 236 39 ILE H    H   6.101 0.020 1 
      379 236 39 ILE HA   H   4.338 0.020 1 
      380 236 39 ILE HB   H   1.376 0.020 1 
      381 236 39 ILE HG12 H   1.066 0.020 2 
      382 236 39 ILE HG13 H   1.366 0.020 2 
      383 236 39 ILE HG2  H   0.900 0.020 1 
      384 236 39 ILE HD1  H   0.746 0.020 1 
      385 236 39 ILE CA   C  57.350 0.400 1 
      386 236 39 ILE CB   C  39.966 0.400 1 
      387 236 39 ILE CG1  C  26.472 0.400 1 
      388 236 39 ILE CG2  C  17.340 0.400 1 
      389 236 39 ILE CD1  C  13.068 0.400 1 
      390 236 39 ILE N    N 120.300 0.400 1 
      391 237 40 PRO HA   H   4.586 0.020 1 
      392 237 40 PRO HB2  H   2.044 0.020 2 
      393 237 40 PRO HB3  H   2.403 0.020 2 
      394 237 40 PRO HG2  H   2.097 0.020 1 
      395 237 40 PRO HG3  H   2.097 0.020 1 
      396 237 40 PRO HD2  H   3.545 0.020 2 
      397 237 40 PRO HD3  H   4.174 0.020 2 
      398 237 40 PRO CA   C  60.958 0.400 1 
      399 237 40 PRO CB   C  31.411 0.400 1 
      400 237 40 PRO CG   C  27.846 0.400 1 
      401 237 40 PRO CD   C  50.531 0.400 1 
      402 238 41 PRO HA   H   4.102 0.020 1 
      403 238 41 PRO HB2  H   2.214 0.020 2 
      404 238 41 PRO HB3  H   1.991 0.020 2 
      405 238 41 PRO HG2  H   1.601 0.020 2 
      406 238 41 PRO HG3  H   2.154 0.020 2 
      407 238 41 PRO HD2  H   3.734 0.020 1 
      408 238 41 PRO HD3  H   3.734 0.020 1 
      409 238 41 PRO CA   C  65.559 0.400 1 
      410 238 41 PRO CB   C  32.251 0.400 1 
      411 238 41 PRO CG   C  27.193 0.400 1 
      412 238 41 PRO CD   C  50.604 0.400 1 
      413 239 42 ASP H    H   8.535 0.020 1 
      414 239 42 ASP HA   H   4.355 0.020 1 
      415 239 42 ASP HB2  H   2.637 0.020 2 
      416 239 42 ASP HB3  H   2.747 0.020 2 
      417 239 42 ASP CA   C  54.957 0.400 1 
      418 239 42 ASP CB   C  39.111 0.400 1 
      419 239 42 ASP N    N 113.639 0.400 1 
      420 240 43 GLN H    H   7.763 0.020 1 
      421 240 43 GLN HA   H   4.338 0.020 1 
      422 240 43 GLN HB2  H   1.819 0.020 2 
      423 240 43 GLN HB3  H   2.462 0.020 2 
      424 240 43 GLN HG2  H   2.388 0.020 1 
      425 240 43 GLN HG3  H   2.388 0.020 1 
      426 240 43 GLN HE21 H   6.734 0.020 2 
      427 240 43 GLN HE22 H   7.660 0.020 2 
      428 240 43 GLN CA   C  54.945 0.400 1 
      429 240 43 GLN CB   C  29.520 0.400 1 
      430 240 43 GLN CG   C  33.646 0.400 1 
      431 240 43 GLN N    N 116.582 0.400 1 
      432 240 43 GLN NE2  N 111.331 0.400 1 
      433 241 44 GLN H    H   7.505 0.020 1 
      434 241 44 GLN HA   H   4.023 0.020 1 
      435 241 44 GLN HB2  H   1.778 0.020 2 
      436 241 44 GLN HB3  H   1.902 0.020 2 
      437 241 44 GLN HG2  H   1.594 0.020 2 
      438 241 44 GLN HG3  H   2.499 0.020 2 
      439 241 44 GLN HE21 H   5.985 0.020 2 
      440 241 44 GLN HE22 H   6.476 0.020 2 
      441 241 44 GLN CA   C  56.318 0.400 1 
      442 241 44 GLN CG   C  33.049 0.400 1 
      443 241 44 GLN N    N 117.787 0.400 1 
      444 241 44 GLN NE2  N 104.250 0.400 1 
      445 242 45 ARG H    H   7.664 0.020 1 
      446 242 45 ARG HA   H   4.474 0.020 1 
      447 242 45 ARG HB2  H   1.404 0.020 1 
      448 242 45 ARG HB3  H   1.404 0.020 1 
      449 242 45 ARG HG2  H   1.431 0.020 1 
      450 242 45 ARG HG3  H   1.431 0.020 1 
      451 242 45 ARG HD2  H   2.932 0.020 2 
      452 242 45 ARG HD3  H   3.110 0.020 2 
      453 242 45 ARG CA   C  54.829 0.400 1 
      454 242 45 ARG CB   C  31.148 0.400 1 
      455 242 45 ARG CG   C  25.964 0.400 1 
      456 242 45 ARG CD   C  43.729 0.400 1 
      457 243 46 LEU H    H   8.776 0.020 1 
      458 243 46 LEU HA   H   5.331 0.020 1 
      459 243 46 LEU HB2  H   1.130 0.020 2 
      460 243 46 LEU HB3  H   1.476 0.020 2 
      461 243 46 LEU HG   H   1.424 0.020 1 
      462 243 46 LEU HD1  H   0.739 0.020 2 
      463 243 46 LEU HD2  H   0.772 0.020 2 
      464 243 46 LEU CA   C  52.389 0.400 1 
      465 243 46 LEU CB   C  45.014 0.400 1 
      466 243 46 LEU CG   C  26.773 0.400 1 
      467 243 46 LEU CD1  C  26.163 0.400 1 
      468 243 46 LEU CD2  C  23.774 0.400 1 
      469 243 46 LEU N    N 123.359 0.400 1 
      470 244 47 ILE H    H   9.265 0.020 1 
      471 244 47 ILE HA   H   4.967 0.020 1 
      472 244 47 ILE HB   H   1.826 0.020 1 
      473 244 47 ILE HG12 H   1.081 0.020 2 
      474 244 47 ILE HG13 H   1.196 0.020 2 
      475 244 47 ILE HG2  H   0.770 0.020 1 
      476 244 47 ILE HD1  H   0.636 0.020 1 
      477 244 47 ILE CA   C  58.176 0.400 1 
      478 244 47 ILE CB   C  40.682 0.400 1 
      479 244 47 ILE CG1  C  28.386 0.400 1 
      480 244 47 ILE CG2  C  18.303 0.400 1 
      481 244 47 ILE CD1  C  12.812 0.400 1 
      482 244 47 ILE N    N 123.222 0.400 1 
      483 245 48 PHE H    H   8.798 0.020 1 
      484 245 48 PHE HA   H   5.171 0.020 1 
      485 245 48 PHE HB2  H   2.745 0.020 2 
      486 245 48 PHE HB3  H   3.009 0.020 2 
      487 245 48 PHE HD1  H   7.322 0.020 1 
      488 245 48 PHE HD2  H   7.322 0.020 1 
      489 245 48 PHE HE1  H   7.473 0.020 1 
      490 245 48 PHE HE2  H   7.473 0.020 1 
      491 245 48 PHE HZ   H   7.445 0.020 1 
      492 245 48 PHE CA   C  56.253 0.400 1 
      493 245 48 PHE CB   C  43.448 0.400 1 
      494 245 48 PHE CD2  C 131.392 0.400 1 
      495 245 48 PHE CE2  C 131.392 0.400 1 
      496 245 48 PHE CZ   C 129.494 0.400 1 
      497 245 48 PHE N    N 124.708 0.400 1 
      498 246 49 ALA H    H   8.771 0.020 1 
      499 246 49 ALA HA   H   3.710 0.020 1 
      500 246 49 ALA HB   H   0.873 0.020 1 
      501 246 49 ALA CA   C  51.900 0.400 1 
      502 246 49 ALA CB   C  16.053 0.400 1 
      503 246 49 ALA N    N 132.278 0.400 1 
      504 247 50 GLY H    H   8.450 0.020 1 
      505 247 50 GLY HA2  H   3.376 0.020 2 
      506 247 50 GLY HA3  H   4.035 0.020 2 
      507 247 50 GLY CA   C  44.840 0.400 1 
      508 247 50 GLY N    N 102.336 0.400 1 
      509 248 51 LYS H    H   7.818 0.020 1 
      510 248 51 LYS HA   H   4.648 0.020 1 
      511 248 51 LYS HB2  H   1.845 0.020 1 
      512 248 51 LYS HB3  H   1.845 0.020 1 
      513 248 51 LYS HG2  H   1.486 0.020 1 
      514 248 51 LYS HG3  H   1.486 0.020 1 
      515 248 51 LYS HD2  H   1.818 0.020 1 
      516 248 51 LYS HD3  H   1.818 0.020 1 
      517 248 51 LYS HE2  H   3.122 0.020 1 
      518 248 51 LYS HE3  H   3.122 0.020 1 
      519 248 51 LYS CA   C  53.803 0.400 1 
      520 248 51 LYS CB   C  34.425 0.400 1 
      521 248 51 LYS CG   C  23.749 0.400 1 
      522 248 51 LYS CD   C  28.407 0.400 1 
      523 248 51 LYS CE   C  41.525 0.400 1 
      524 248 51 LYS N    N 119.982 0.400 1 
      525 249 52 GLN H    H   8.818 0.020 1 
      526 249 52 GLN HA   H   4.522 0.020 1 
      527 249 52 GLN HB2  H   1.893 0.020 2 
      528 249 52 GLN HB3  H   1.993 0.020 2 
      529 249 52 GLN HG2  H   2.211 0.020 1 
      530 249 52 GLN HG3  H   2.211 0.020 1 
      531 249 52 GLN HE21 H   6.947 0.020 2 
      532 249 52 GLN HE22 H   7.746 0.020 2 
      533 249 52 GLN CA   C  55.526 0.400 1 
      534 249 52 GLN CB   C  28.424 0.400 1 
      535 249 52 GLN CG   C  34.389 0.400 1 
      536 249 52 GLN N    N 122.369 0.400 1 
      537 249 52 GLN NE2  N 112.132 0.400 1 
      538 250 53 LEU H    H   8.674 0.020 1 
      539 250 53 LEU HA   H   4.105 0.020 1 
      540 250 53 LEU HB2  H   1.057 0.020 2 
      541 250 53 LEU HB3  H   1.428 0.020 2 
      542 250 53 LEU HG   H   1.494 0.020 1 
      543 250 53 LEU HD1  H   0.467 0.020 2 
      544 250 53 LEU HD2  H  -0.197 0.020 2 
      545 250 53 LEU CA   C  53.616 0.400 1 
      546 250 53 LEU CB   C  41.272 0.400 1 
      547 250 53 LEU CG   C  25.193 0.400 1 
      548 250 53 LEU CD1  C  25.209 0.400 1 
      549 250 53 LEU CD2  C  18.622 0.400 1 
      550 250 53 LEU N    N 125.680 0.400 1 
      551 251 54 GLU H    H   8.435 0.020 1 
      552 251 54 GLU HA   H   4.443 0.020 1 
      553 251 54 GLU HB2  H   1.976 0.020 2 
      554 251 54 GLU HB3  H   2.200 0.020 2 
      555 251 54 GLU HG2  H   2.319 0.020 1 
      556 251 54 GLU HG3  H   2.319 0.020 1 
      557 251 54 GLU CA   C  55.436 0.400 1 
      558 251 54 GLU CB   C  31.422 0.400 1 
      559 251 54 GLU CG   C  36.088 0.400 1 
      560 251 54 GLU N    N 122.681 0.400 1 
      561 252 55 ASP H    H   8.163 0.020 1 
      562 252 55 ASP HA   H   4.346 0.020 1 
      563 252 55 ASP HB2  H   2.499 0.020 2 
      564 252 55 ASP HB3  H   2.587 0.020 2 
      565 252 55 ASP CA   C  56.035 0.400 1 
      566 252 55 ASP CB   C  40.415 0.400 1 
      567 252 55 ASP N    N 120.385 0.400 1 
      568 253 56 GLY H    H   9.314 0.020 1 
      569 253 56 GLY HA2  H   3.872 0.020 2 
      570 253 56 GLY HA3  H   4.075 0.020 2 
      571 253 56 GLY CA   C  44.611 0.400 1 
      572 253 56 GLY N    N 106.316 0.400 1 
      573 254 57 ARG H    H   7.357 0.020 1 
      574 254 57 ARG HA   H   4.654 0.020 1 
      575 254 57 ARG HB2  H   1.972 0.020 1 
      576 254 57 ARG HB3  H   1.972 0.020 1 
      577 254 57 ARG HG2  H   1.757 0.020 2 
      578 254 57 ARG HG3  H   1.681 0.020 2 
      579 254 57 ARG HD2  H   3.010 0.020 2 
      580 254 57 ARG HD3  H   3.081 0.020 2 
      581 254 57 ARG CA   C  53.797 0.400 1 
      582 254 57 ARG CB   C  32.002 0.400 1 
      583 254 57 ARG CG   C  27.033 0.400 1 
      584 254 57 ARG CD   C  42.295 0.400 1 
      585 254 57 ARG N    N 119.099 0.400 1 
      586 255 58 THR H    H   8.806 0.020 1 
      587 255 58 THR HA   H   5.182 0.020 1 
      588 255 58 THR HB   H   4.491 0.020 1 
      589 255 58 THR HG2  H   1.095 0.020 1 
      590 255 58 THR CA   C  59.074 0.400 1 
      591 255 58 THR CB   C  71.807 0.400 1 
      592 255 58 THR CG2  C  21.899 0.400 1 
      593 255 58 THR N    N 108.586 0.400 1 
      594 256 59 LEU H    H   8.157 0.020 1 
      595 256 59 LEU HA   H   4.023 0.020 1 
      596 256 59 LEU HB2  H   2.064 0.020 2 
      597 256 59 LEU HB3  H   1.150 0.020 2 
      598 256 59 LEU HG   H   1.714 0.020 1 
      599 256 59 LEU HD1  H   0.718 0.020 2 
      600 256 59 LEU HD2  H   0.586 0.020 2 
      601 256 59 LEU CA   C  57.932 0.400 1 
      602 256 59 LEU CB   C  39.626 0.400 1 
      603 256 59 LEU CG   C  26.004 0.400 1 
      604 256 59 LEU CD1  C  26.228 0.400 1 
      605 256 59 LEU CD2  C  22.596 0.400 1 
      606 256 59 LEU N    N 117.537 0.400 1 
      607 257 60 SER H    H   8.319 0.020 1 
      608 257 60 SER HA   H   4.204 0.020 1 
      609 257 60 SER HB2  H   3.705 0.020 2 
      610 257 60 SER HB3  H   3.798 0.020 2 
      611 257 60 SER CA   C  60.494 0.400 1 
      612 257 60 SER CB   C  62.006 0.400 1 
      613 257 60 SER N    N 113.050 0.400 1 
      614 258 61 ASP H    H   7.957 0.020 1 
      615 258 61 ASP HA   H   4.222 0.020 1 
      616 258 61 ASP HB2  H   3.011 0.020 2 
      617 258 61 ASP HB3  H   2.244 0.020 2 
      618 258 61 ASP CA   C  56.832 0.400 1 
      619 258 61 ASP CB   C  39.852 0.400 1 
      620 258 61 ASP N    N 124.570 0.400 1 
      621 259 62 TYR H    H   7.199 0.020 1 
      622 259 62 TYR HA   H   4.636 0.020 1 
      623 259 62 TYR HB2  H   2.497 0.020 2 
      624 259 62 TYR HB3  H   3.404 0.020 2 
      625 259 62 TYR HD1  H   7.204 0.020 1 
      626 259 62 TYR HD2  H   7.204 0.020 1 
      627 259 62 TYR HE1  H   6.862 0.020 1 
      628 259 62 TYR HE2  H   6.862 0.020 1 
      629 259 62 TYR CA   C  57.736 0.400 1 
      630 259 62 TYR CB   C  39.398 0.400 1 
      631 259 62 TYR CD2  C 132.760 0.400 1 
      632 259 62 TYR CE1  C 117.991 0.400 1 
      633 259 62 TYR CE2  C 117.991 0.400 1 
      634 259 62 TYR N    N 115.532 0.400 1 
      635 260 63 ASN H    H   8.133 0.020 1 
      636 260 63 ASN HA   H   4.308 0.020 1 
      637 260 63 ASN HB2  H   2.784 0.020 2 
      638 260 63 ASN HB3  H   3.288 0.020 2 
      639 260 63 ASN HD21 H   6.804 0.020 2 
      640 260 63 ASN HD22 H   7.543 0.020 2 
      641 260 63 ASN CA   C  53.549 0.400 1 
      642 260 63 ASN CB   C  36.839 0.400 1 
      643 260 63 ASN N    N 115.755 0.400 1 
      644 260 63 ASN ND2  N 111.459 0.400 1 
      645 261 64 ILE H    H   7.325 0.020 1 
      646 261 64 ILE HA   H   3.298 0.020 1 
      647 261 64 ILE HB   H   1.349 0.020 1 
      648 261 64 ILE HG12 H   1.042 0.020 2 
      649 261 64 ILE HG13 H  -0.583 0.020 2 
      650 261 64 ILE HG2  H   0.437 0.020 1 
      651 261 64 ILE HD1  H   0.099 0.020 1 
      652 261 64 ILE CA   C  61.984 0.400 1 
      653 261 64 ILE CB   C  36.140 0.400 1 
      654 261 64 ILE CG1  C  27.615 0.400 1 
      655 261 64 ILE CG2  C  17.449 0.400 1 
      656 261 64 ILE CD1  C  14.096 0.400 1 
      657 261 64 ILE N    N 119.070 0.400 1 
      658 262 65 GLN H    H   7.593 0.020 1 
      659 262 65 GLN HA   H   4.448 0.020 1 
      660 262 65 GLN HB2  H   1.845 0.020 2 
      661 262 65 GLN HB3  H   2.207 0.020 2 
      662 262 65 GLN HG2  H   2.258 0.020 2 
      663 262 65 GLN HG3  H   2.318 0.020 2 
      664 262 65 GLN HE21 H   7.265 0.020 2 
      665 262 65 GLN HE22 H   6.796 0.020 2 
      666 262 65 GLN CA   C  52.988 0.400 1 
      667 262 65 GLN CB   C  31.119 0.400 1 
      668 262 65 GLN CG   C  32.774 0.400 1 
      669 262 65 GLN N    N 124.673 0.400 1 
      670 262 65 GLN NE2  N 112.218 0.400 1 
      671 263 66 LYS H    H   8.424 0.020 1 
      672 263 66 LYS HA   H   3.929 0.020 1 
      673 263 66 LYS HB2  H   1.861 0.020 2 
      674 263 66 LYS HB3  H   2.018 0.020 2 
      675 263 66 LYS HG2  H   1.483 0.020 1 
      676 263 66 LYS HG3  H   1.483 0.020 1 
      677 263 66 LYS HD2  H   1.719 0.020 1 
      678 263 66 LYS HD3  H   1.719 0.020 1 
      679 263 66 LYS HE2  H   3.011 0.020 2 
      680 263 66 LYS HE3  H   3.078 0.020 2 
      681 263 66 LYS CA   C  57.417 0.400 1 
      682 263 66 LYS CB   C  31.983 0.400 1 
      683 263 66 LYS CG   C  23.709 0.400 1 
      684 263 66 LYS CD   C  29.181 0.400 1 
      685 263 66 LYS CE   C  42.340 0.400 1 
      686 263 66 LYS N    N 120.147 0.400 1 
      687 264 67 GLU H    H   9.266 0.020 1 
      688 264 67 GLU HA   H   3.331 0.020 1 
      689 264 67 GLU HB2  H   2.362 0.020 2 
      690 264 67 GLU HB3  H   2.516 0.020 2 
      691 264 67 GLU HG2  H   2.211 0.020 1 
      692 264 67 GLU HG3  H   2.211 0.020 1 
      693 264 67 GLU CA   C  57.780 0.400 1 
      694 264 67 GLU CB   C  25.471 0.400 1 
      695 264 67 GLU CG   C  36.873 0.400 1 
      696 264 67 GLU N    N 114.881 0.400 1 
      697 265 68 SER H    H   7.702 0.020 1 
      698 265 68 SER HA   H   4.578 0.020 1 
      699 265 68 SER HB2  H   3.638 0.020 2 
      700 265 68 SER HB3  H   3.896 0.020 2 
      701 265 68 SER CA   C  60.376 0.400 1 
      702 265 68 SER CB   C  64.331 0.400 1 
      703 265 68 SER N    N 114.919 0.400 1 
      704 266 69 THR H    H   8.649 0.020 1 
      705 266 69 THR HA   H   5.273 0.020 1 
      706 266 69 THR HB   H   3.954 0.020 1 
      707 266 69 THR HG2  H   0.860 0.020 1 
      708 266 69 THR CA   C  61.776 0.400 1 
      709 266 69 THR CB   C  69.703 0.400 1 
      710 266 69 THR CG2  C  21.007 0.400 1 
      711 266 69 THR N    N 117.191 0.400 1 
      712 267 70 LEU H    H   9.342 0.020 1 
      713 267 70 LEU HA   H   4.960 0.020 1 
      714 267 70 LEU HB2  H   1.533 0.020 2 
      715 267 70 LEU HB3  H   1.624 0.020 2 
      716 267 70 LEU HG   H   1.727 0.020 1 
      717 267 70 LEU HD1  H   0.648 0.020 2 
      718 267 70 LEU HD2  H   0.609 0.020 2 
      719 267 70 LEU CA   C  53.283 0.400 1 
      720 267 70 LEU CB   C  44.056 0.400 1 
      721 267 70 LEU CG   C  29.219 0.400 1 
      722 267 70 LEU CD1  C  24.322 0.400 1 
      723 267 70 LEU CD2  C  25.057 0.400 1 
      724 267 70 LEU N    N 127.952 0.400 1 
      725 268 71 HIS H    H   9.108 0.020 1 
      726 268 71 HIS HA   H   5.457 0.020 1 
      727 268 71 HIS HB2  H   2.641 0.020 2 
      728 268 71 HIS HB3  H   2.809 0.020 2 
      729 268 71 HIS HD2  H   6.774 0.020 1 
      730 268 71 HIS HE1  H   7.519 0.020 1 
      731 268 71 HIS CA   C  55.970 0.400 1 
      732 268 71 HIS CB   C  32.516 0.400 1 
      733 268 71 HIS CD2  C 116.839 0.400 1 
      734 268 71 HIS CE1  C 137.414 0.400 1 
      735 268 71 HIS N    N 118.537 0.400 1 
      736 269 72 LEU H    H   8.437 0.020 1 
      737 269 72 LEU HA   H   5.246 0.020 1 
      738 269 72 LEU HB2  H   1.055 0.020 2 
      739 269 72 LEU HB3  H   1.473 0.020 2 
      740 269 72 LEU HG   H   1.275 0.020 1 
      741 269 72 LEU HD1  H   0.798 0.020 2 
      742 269 72 LEU HD2  H   0.691 0.020 2 
      743 269 72 LEU CA   C  52.752 0.400 1 
      744 269 72 LEU CB   C  44.255 0.400 1 
      745 269 72 LEU CG   C  27.311 0.400 1 
      746 269 72 LEU CD1  C  23.208 0.400 1 
      747 269 72 LEU CD2  C  25.679 0.400 1 
      748 269 72 LEU N    N 123.976 0.400 1 
      749 270 73 VAL H    H   8.934 0.020 1 
      750 270 73 VAL HA   H   4.329 0.020 1 
      751 270 73 VAL HB   H   1.858 0.020 1 
      752 270 73 VAL HG1  H   0.967 0.020 2 
      753 270 73 VAL HG2  H   0.838 0.020 2 
      754 270 73 VAL CA   C  60.067 0.400 1 
      755 270 73 VAL CB   C  34.186 0.400 1 
      756 270 73 VAL CG1  C  21.208 0.400 1 
      757 270 73 VAL CG2  C  21.239 0.400 1 
      758 270 73 VAL N    N 126.512 0.400 1 
      759 271 74 LEU HA   H   4.962 0.020 1 
      760 271 74 LEU HB2  H   1.551 0.020 2 
      761 271 74 LEU HB3  H   1.729 0.020 2 
      762 271 74 LEU HG   H   1.738 0.020 1 
      763 271 74 LEU HD1  H   0.934 0.020 2 
      764 271 74 LEU HD2  H   0.823 0.020 2 
      765 271 74 LEU CA   C  53.845 0.400 1 
      766 271 74 LEU CB   C  41.507 0.400 1 
      767 271 74 LEU CG   C  27.279 0.400 1 
      768 271 74 LEU CD1  C  24.602 0.400 1 
      769 271 74 LEU CD2  C  23.226 0.400 1 
      770 272 75 ARG H    H   8.560 0.020 1 
      771 272 75 ARG HA   H   4.179 0.020 1 
      772 272 75 ARG HB2  H   1.546 0.020 2 
      773 272 75 ARG HB3  H   1.755 0.020 2 
      774 272 75 ARG HG2  H   1.476 0.020 2 
      775 272 75 ARG HG3  H   1.530 0.020 2 
      776 272 75 ARG HD2  H   3.161 0.020 1 
      777 272 75 ARG HD3  H   3.161 0.020 1 
      778 272 75 ARG CA   C  55.759 0.400 1 
      779 272 75 ARG CB   C  30.621 0.400 1 
      780 272 75 ARG CG   C  27.555 0.400 1 
      781 272 75 ARG CD   C  42.689 0.400 1 
      782 272 75 ARG N    N 122.244 0.400 1 
      783 273 76 LEU H    H   8.500 0.020 1 
      784 273 76 LEU HA   H   4.306 0.020 1 
      785 273 76 LEU HB2  H   1.540 0.020 2 
      786 273 76 LEU HB3  H   1.606 0.020 2 
      787 273 76 LEU HG   H   1.600 0.020 1 
      788 273 76 LEU HD1  H   0.826 0.020 2 
      789 273 76 LEU HD2  H   0.798 0.020 2 
      790 273 76 LEU CA   C  54.410 0.400 1 
      791 273 76 LEU CB   C  41.622 0.400 1 
      792 273 76 LEU CG   C  26.479 0.400 1 
      793 273 76 LEU CD1  C  24.584 0.400 1 
      794 273 76 LEU CD2  C  22.940 0.400 1 
      795 273 76 LEU N    N 123.971 0.400 1 
      796 274 77 ARG H    H   8.408 0.020 1 
      797 274 77 ARG HA   H   4.288 0.020 1 
      798 274 77 ARG HB2  H   1.749 0.020 1 
      799 274 77 ARG HB3  H   1.749 0.020 1 
      800 274 77 ARG HG2  H   1.602 0.020 1 
      801 274 77 ARG HG3  H   1.602 0.020 1 
      802 274 77 ARG HD2  H   3.170 0.020 1 
      803 274 77 ARG HD3  H   3.170 0.020 1 
      804 274 77 ARG CA   C  55.747 0.400 1 
      805 274 77 ARG CB   C  30.333 0.400 1 
      806 274 77 ARG CG   C  26.526 0.400 1 
      807 274 77 ARG CD   C  42.635 0.400 1 
      808 274 77 ARG N    N 121.647 0.400 1 
      809 275 78 GLY H    H   8.462 0.020 1 
      810 275 78 GLY HA2  H   3.936 0.020 1 
      811 275 78 GLY HA3  H   3.936 0.020 1 
      812 275 78 GLY CA   C  44.549 0.400 1 
      813 275 78 GLY N    N 110.794 0.400 1 
      814 276 79 GLY H    H   7.933 0.020 1 
      815 276 79 GLY HA2  H   3.706 0.020 2 
      816 276 79 GLY HA3  H   3.762 0.020 2 
      817 276 79 GLY CA   C  45.440 0.400 1 
      818 276 79 GLY N    N 114.988 0.400 1 

   stop_

save_