NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id cing stage program type subtype item_count
373021 1dng cing 3-converted-DOCR STAR entry full 228


data_DOCR_restraints_with_modified_coordinates_PDB_code_1dng

# This DOCR archive file contains, for PDB entry <1dng>:
# 
# - Coordinates and sequence information from the PDB mmCIF file
# - NMR restraints from the PDB MR file
# 
# In this file, the coordinates and NMR restraints share the same atom names,
# and in this way can differ from the data deposited at the wwPDB. To achieve
# this aim, the NMR restraints were parsed from their original format files, and
# the coordinates and NMR restraints information were subsequently harmonized.
# 
# Due to the complexity of this harmonization process, minor modifications could
# have occurred to the NMR restraints information, or data could have been lost
# because of parsing or conversion errors. The PDB file remains the
# authoritative reference for the atomic coordinates and the originally deposited
# restraints files remain the primary reference for these data.
# 
# This file is generated at the BioMagResBank (BMRB) in collaboration with the 
# PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and 
# the CMBI/IMM group at the Radboud University of Nijmegen.
# 
# Several software packages were used to produce this file:
# 
# - Wattos (BMRB and CMBI/IMM).
# - FormatConverter and NMRStarExport (PDBe).
# - CCPN framework (http://www.ccpn.ac.uk/).
# 
# More information about this process can be found in the references below.
# Please cite the original reference for this PDB entry.
# 
# JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL
# Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED
# containing converted and filtered sets of experimental NMR restraints and
# coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12.
# 
# WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL
# Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy:
# development of a software pipeline. Proteins 59, 687-696. 
# 
# JF Doreleijers, W Vranken, C Penkett, J Lin, CF Schulte, G Vuister, G Vriend,
# JL Markley, EL Ulrich. BioMagResBank database `NMR Restraints Grid` with
# curated sets of experimental NMR restraints for over 4,000 protein and nucleic
# acid PDB entries. (in preparation)




save_entry_information
    _Entry.Sf_category                  entry_information
    _Entry.Sf_framecode                 entry_information
    _Entry.ID                           rr_1dng
    _Entry.Title                        "wwPDB remediated NMR restraints for PDB entry 1dng"
    _Entry.NMR_STAR_version             3.1
    _Entry.Experimental_method          NMR
    _Entry.Experimental_method_subtype  solution
    _Entry.Details                      "Contains the remediated restraint lists and coordinates for PDB entry 1dng"

save_


save_assembly
    _Assembly.Sf_category           assembly
    _Assembly.Sf_framecode          assembly
    _Assembly.Entry_ID              rr_1dng
    _Assembly.ID                    1
    _Assembly.Name                  1dng
    _Assembly.Number_of_components  1
    _Assembly.Organic_ligands       0
    _Assembly.Metal_ions            0
    _Assembly.Non_standard_bonds    no
    _Assembly.Paramagnetic          no
    _Assembly.Thiol_state           "not present"
    _Assembly.Molecular_mass        1603.6783

    loop_
       _Entity_assembly.ID
       _Entity_assembly.Entity_assembly_name
       _Entity_assembly.Entity_ID
       _Entity_assembly.Entity_label
       _Entity_assembly.Asym_ID
       _Entity_assembly.PDB_chain_ID
       _Entity_assembly.Experimental_data_reported
       _Entity_assembly.Physical_state
       _Entity_assembly.Conformational_isomer
       _Entity_assembly.Chemical_exchange_state
       _Entity_assembly.Magnetic_equivalence_group_code
       _Entity_assembly.Role
       _Entity_assembly.Details
       _Entity_assembly.Entry_ID
       _Entity_assembly.Assembly_ID

       1 "GLN ALA PRO ALA TYR GLU GLU ALA ALA GLU GLU LEU ALA LYS SER" 1 $GLN_ALA_PRO_ALA_TYR_GLU_GLU_ALA_ALA_GLU_GLU_LEU_ALA_LYS_SER A . no . . . . . . rr_1dng 1 
    stop_

save_


save_GLN_ALA_PRO_ALA_TYR_GLU_GLU_ALA_ALA_GLU_GLU_LEU_ALA_LYS_SER
    _Entity.Sf_category                      entity
    _Entity.Sf_framecode                     GLN_ALA_PRO_ALA_TYR_GLU_GLU_ALA_ALA_GLU_GLU_LEU_ALA_LYS_SER
    _Entity.Entry_ID                         rr_1dng
    _Entity.ID                               1
    _Entity.Name                             GLN_ALA_PRO_ALA_TYR_GLU_GLU_ALA_ALA_GLU_GLU_LEU_ALA_LYS_SER
    _Entity.Type                             polymer
    _Entity.Polymer_type                     polypeptide(L)
    _Entity.Polymer_strand_ID                A
    _Entity.Polymer_seq_one_letter_code      QAPAYEEAAEELAKS
    _Entity.Ambiguous_conformational_states  no
    _Entity.Ambiguous_chem_comp_sites        no
    _Entity.Nstd_monomer                     no
    _Entity.Nstd_chirality                   no
    _Entity.Nstd_linkage                     no
    _Entity.Number_of_monomers               15
    _Entity.Paramagnetic                     no
    _Entity.Thiol_state                      "not present"
    _Entity.Parent_entity_ID                 1
    _Entity.Formula_weight                   1603.6783

    loop_
       _Entity_comp_index.ID
       _Entity_comp_index.Auth_seq_ID
       _Entity_comp_index.Comp_ID
       _Entity_comp_index.Comp_label
       _Entity_comp_index.Entry_ID
       _Entity_comp_index.Entity_ID

        1 . GLN . rr_1dng 1 
        2 . ALA . rr_1dng 1 
        3 . PRO . rr_1dng 1 
        4 . ALA . rr_1dng 1 
        5 . TYR . rr_1dng 1 
        6 . GLU . rr_1dng 1 
        7 . GLU . rr_1dng 1 
        8 . ALA . rr_1dng 1 
        9 . ALA . rr_1dng 1 
       10 . GLU . rr_1dng 1 
       11 . GLU . rr_1dng 1 
       12 . LEU . rr_1dng 1 
       13 . ALA . rr_1dng 1 
       14 . LYS . rr_1dng 1 
       15 . SER . rr_1dng 1 
    stop_

    loop_
       _Entity_poly_seq.Hetero
       _Entity_poly_seq.Mon_ID
       _Entity_poly_seq.Num
       _Entity_poly_seq.Comp_index_ID
       _Entity_poly_seq.Entry_ID
       _Entity_poly_seq.Entity_ID

       . GLN  1  1 rr_1dng 1 
       . ALA  2  2 rr_1dng 1 
       . PRO  3  3 rr_1dng 1 
       . ALA  4  4 rr_1dng 1 
       . TYR  5  5 rr_1dng 1 
       . GLU  6  6 rr_1dng 1 
       . GLU  7  7 rr_1dng 1 
       . ALA  8  8 rr_1dng 1 
       . ALA  9  9 rr_1dng 1 
       . GLU 10 10 rr_1dng 1 
       . GLU 11 11 rr_1dng 1 
       . LEU 12 12 rr_1dng 1 
       . ALA 13 13 rr_1dng 1 
       . LYS 14 14 rr_1dng 1 
       . SER 15 15 rr_1dng 1 
    stop_

save_


save_conformer_statistics
    _Conformer_stat_list.Sf_category                    conformer_statistics
    _Conformer_stat_list.Sf_framecode                   conformer_statistics
    _Conformer_stat_list.Entry_ID                       rr_1dng
    _Conformer_stat_list.ID                             1
    _Conformer_stat_list.Conf_family_coord_set_ID       1
    _Conformer_stat_list.Conf_family_coord_set_label    $Original_constraints_and_structures
    _Conformer_stat_list.Conformer_submitted_total_num  1

save_


save_ensemble_of_conformers
    _Conformer_family_coord_set.Sf_category   conformer_family_coord_set
    _Conformer_family_coord_set.Sf_framecode  ensemble_of_conformers
    _Conformer_family_coord_set.Entry_ID      rr_1dng
    _Conformer_family_coord_set.ID            1

    loop_
       _Conformer_family_refinement.Refine_method
       _Conformer_family_refinement.Refine_details
       _Conformer_family_refinement.Software_ID
       _Conformer_family_refinement.Software_label
       _Conformer_family_refinement.Entry_ID
       _Conformer_family_refinement.Conformer_family_coord_set_ID

       1 . . . rr_1dng 1 
    stop_

    loop_
       _Conformer_family_software.Software_ID
       _Conformer_family_software.Software_label
       _Conformer_family_software.Method_ID
       _Conformer_family_software.Method_label
       _Conformer_family_software.Entry_ID
       _Conformer_family_software.Conformer_family_coord_set_ID

       . . . . rr_1dng 1 
    stop_

    loop_
       _Atom_site.Assembly_ID
       _Atom_site.Model_ID
       _Atom_site.Model_site_ID
       _Atom_site.ID
       _Atom_site.Assembly_atom_ID
       _Atom_site.Label_entity_assembly_ID
       _Atom_site.Label_entity_ID
       _Atom_site.Label_comp_index_ID
       _Atom_site.Label_comp_ID
       _Atom_site.Label_atom_ID
       _Atom_site.Type_symbol
       _Atom_site.Cartn_x
       _Atom_site.Cartn_y
       _Atom_site.Cartn_z
       _Atom_site.Cartn_x_esd
       _Atom_site.Cartn_y_esd
       _Atom_site.Cartn_z_esd
       _Atom_site.Occupancy
       _Atom_site.Occupancy_esd
       _Atom_site.Uncertainty
       _Atom_site.Ordered_flag
       _Atom_site.Footnote_ID
       _Atom_site.PDBX_label_asym_ID
       _Atom_site.PDBX_label_seq_ID
       _Atom_site.PDBX_label_comp_ID
       _Atom_site.PDBX_label_atom_ID
       _Atom_site.PDBX_formal_charge
       _Atom_site.PDBX_label_entity_ID
       _Atom_site.PDB_record_ID
       _Atom_site.PDB_model_num
       _Atom_site.PDB_strand_ID
       _Atom_site.PDB_ins_code
       _Atom_site.PDB_residue_no
       _Atom_site.PDB_residue_name
       _Atom_site.PDB_atom_name
       _Atom_site.Auth_entity_assembly_ID
       _Atom_site.Auth_asym_ID
       _Atom_site.Auth_chain_ID
       _Atom_site.Auth_seq_ID
       _Atom_site.Auth_comp_ID
       _Atom_site.Auth_atom_ID
       _Atom_site.Auth_alt_ID
       _Atom_site.Auth_atom_name
       _Atom_site.Details
       _Atom_site.Entry_ID
       _Atom_site.Conformer_family_coord_set_ID

       . 1 .   1 . 1 1  1 GLN C    C -10.086  0.425 -2.532 . . . 1.0 . . . . . . . . . . . . A .  1 GLN C    . . . . . . . . . rr_1dng 1 
       . 1 .   2 . 1 1  1 GLN CA   C -11.467  0.517 -3.195 . . . 1.0 . . . . . . . . . . . . A .  1 GLN CA   . . . . . . . . . rr_1dng 1 
       . 1 .   3 . 1 1  1 GLN CB   C -12.509  1.027 -2.195 . . . 1.0 . . . . . . . . . . . . A .  1 GLN CB   . . . . . . . . . rr_1dng 1 
       . 1 .   4 . 1 1  1 GLN CD   C -14.788  2.047 -2.028 . . . 1.0 . . . . . . . . . . . . A .  1 GLN CD   . . . . . . . . . rr_1dng 1 
       . 1 .   5 . 1 1  1 GLN CG   C -13.569  1.851 -2.933 . . . 1.0 . . . . . . . . . . . . A .  1 GLN CG   . . . . . . . . . rr_1dng 1 
       . 1 .   6 . 1 1  1 GLN H1   H -11.343 -1.203 -4.371 . . . 1.0 . . . . . . . . . . . . A .  1 GLN H1   . . . . . . . . . rr_1dng 1 
       . 1 .   7 . 1 1  1 GLN H2   H -12.928 -0.785 -3.926 . . . 1.0 . . . . . . . . . . . . A .  1 GLN H2   . . . . . . . . . rr_1dng 1 
       . 1 .   8 . 1 1  1 GLN H3   H -11.879 -1.489 -2.788 . . . 1.0 . . . . . . . . . . . . A .  1 GLN H3   . . . . . . . . . rr_1dng 1 
       . 1 .   9 . 1 1  1 GLN HA   H -11.428  1.171 -4.052 . . . 1.0 . . . . . . . . . . . . A .  1 GLN HA   . . . . . . . . . rr_1dng 1 
       . 1 .  10 . 1 1  1 GLN HB2  H -12.981  0.187 -1.706 . . . 1.0 . . . . . . . . . . . . A .  1 GLN HB2  . . . . . . . . . rr_1dng 1 
       . 1 .  11 . 1 1  1 GLN HB3  H -12.026  1.648 -1.455 . . . 1.0 . . . . . . . . . . . . A .  1 GLN HB3  . . . . . . . . . rr_1dng 1 
       . 1 .  12 . 1 1  1 GLN HE21 H -15.732  0.434 -2.701 . . . 1.0 . . . . . . . . . . . . A .  1 GLN HE21 . . . . . . . . . rr_1dng 1 
       . 1 .  13 . 1 1  1 GLN HE22 H -16.558  1.313 -1.507 . . . 1.0 . . . . . . . . . . . . A .  1 GLN HE22 . . . . . . . . . rr_1dng 1 
       . 1 .  14 . 1 1  1 GLN HG2  H -13.156  2.815 -3.194 . . . 1.0 . . . . . . . . . . . . A .  1 GLN HG2  . . . . . . . . . rr_1dng 1 
       . 1 .  15 . 1 1  1 GLN HG3  H -13.869  1.332 -3.830 . . . 1.0 . . . . . . . . . . . . A .  1 GLN HG3  . . . . . . . . . rr_1dng 1 
       . 1 .  16 . 1 1  1 GLN N    N -11.941 -0.843 -3.601 . . . 1.0 . . . . . . . . . . . . A .  1 GLN N    . . . . . . . . . rr_1dng 1 
       . 1 .  17 . 1 1  1 GLN NE2  N -15.774  1.194 -2.084 . . . 1.0 . . . . . . . . . . . . A .  1 GLN NE2  . . . . . . . . . rr_1dng 1 
       . 1 .  18 . 1 1  1 GLN O    O  -9.611 -0.651 -2.219 . . . 1.0 . . . . . . . . . . . . A .  1 GLN O    . . . . . . . . . rr_1dng 1 
       . 1 .  19 . 1 1  1 GLN OE1  O -14.842  2.986 -1.260 . . . 1.0 . . . . . . . . . . . . A .  1 GLN OE1  . . . . . . . . . rr_1dng 1 
       . 1 .  20 . 1 1  2 ALA C    C  -8.035  2.564 -0.535 . . . 1.0 . . . . . . . . . . . . A .  2 ALA C    . . . . . . . . . rr_1dng 1 
       . 1 .  21 . 1 1  2 ALA CA   C  -8.091  1.532 -1.674 . . . 1.0 . . . . . . . . . . . . A .  2 ALA CA   . . . . . . . . . rr_1dng 1 
       . 1 .  22 . 1 1  2 ALA CB   C  -7.119  1.900 -2.798 . . . 1.0 . . . . . . . . . . . . A .  2 ALA CB   . . . . . . . . . rr_1dng 1 
       . 1 .  23 . 1 1  2 ALA H    H  -9.848  2.400 -2.578 . . . 1.0 . . . . . . . . . . . . A .  2 ALA H    . . . . . . . . . rr_1dng 1 
       . 1 .  24 . 1 1  2 ALA HA   H  -7.864  0.546 -1.300 . . . 1.0 . . . . . . . . . . . . A .  2 ALA HA   . . . . . . . . . rr_1dng 1 
       . 1 .  25 . 1 1  2 ALA HB1  H  -6.356  1.140 -2.877 . . . 1.0 . . . . . . . . . . . . A .  2 ALA HB1  . . . . . . . . . rr_1dng 1 
       . 1 .  26 . 1 1  2 ALA HB2  H  -6.658  2.852 -2.580 . . . 1.0 . . . . . . . . . . . . A .  2 ALA HB2  . . . . . . . . . rr_1dng 1 
       . 1 .  27 . 1 1  2 ALA HB3  H  -7.656  1.967 -3.733 . . . 1.0 . . . . . . . . . . . . A .  2 ALA HB3  . . . . . . . . . rr_1dng 1 
       . 1 .  28 . 1 1  2 ALA N    N  -9.442  1.546 -2.317 . . . 1.0 . . . . . . . . . . . . A .  2 ALA N    . . . . . . . . . rr_1dng 1 
       . 1 .  29 . 1 1  2 ALA O    O  -7.651  3.699 -0.745 . . . 1.0 . . . . . . . . . . . . A .  2 ALA O    . . . . . . . . . rr_1dng 1 
       . 1 .  30 . 1 1  3 PRO C    C  -7.077  3.074  2.503 . . . 1.0 . . . . . . . . . . . . A .  3 PRO C    . . . . . . . . . rr_1dng 1 
       . 1 .  31 . 1 1  3 PRO CA   C  -8.453  3.027  1.821 . . . 1.0 . . . . . . . . . . . . A .  3 PRO CA   . . . . . . . . . rr_1dng 1 
       . 1 .  32 . 1 1  3 PRO CB   C  -9.489  2.380  2.731 . . . 1.0 . . . . . . . . . . . . A .  3 PRO CB   . . . . . . . . . rr_1dng 1 
       . 1 .  33 . 1 1  3 PRO CD   C  -8.927  0.789  0.969 . . . 1.0 . . . . . . . . . . . . A .  3 PRO CD   . . . . . . . . . rr_1dng 1 
       . 1 .  34 . 1 1  3 PRO CG   C  -9.521  0.929  2.350 . . . 1.0 . . . . . . . . . . . . A .  3 PRO CG   . . . . . . . . . rr_1dng 1 
       . 1 .  35 . 1 1  3 PRO HA   H  -8.773  4.017  1.544 . . . 1.0 . . . . . . . . . . . . A .  3 PRO HA   . . . . . . . . . rr_1dng 1 
       . 1 .  36 . 1 1  3 PRO HB2  H  -9.200  2.493  3.767 . . . 1.0 . . . . . . . . . . . . A .  3 PRO HB2  . . . . . . . . . rr_1dng 1 
       . 1 .  37 . 1 1  3 PRO HB3  H -10.454  2.823  2.561 . . . 1.0 . . . . . . . . . . . . A .  3 PRO HB3  . . . . . . . . . rr_1dng 1 
       . 1 .  38 . 1 1  3 PRO HD2  H  -8.110  0.082  0.983 . . . 1.0 . . . . . . . . . . . . A .  3 PRO HD2  . . . . . . . . . rr_1dng 1 
       . 1 .  39 . 1 1  3 PRO HD3  H  -9.682  0.483  0.262 . . . 1.0 . . . . . . . . . . . . A .  3 PRO HD3  . . . . . . . . . rr_1dng 1 
       . 1 .  40 . 1 1  3 PRO HG2  H  -8.940  0.354  3.059 . . . 1.0 . . . . . . . . . . . . A .  3 PRO HG2  . . . . . . . . . rr_1dng 1 
       . 1 .  41 . 1 1  3 PRO HG3  H -10.540  0.575  2.342 . . . 1.0 . . . . . . . . . . . . A .  3 PRO HG3  . . . . . . . . . rr_1dng 1 
       . 1 .  42 . 1 1  3 PRO N    N  -8.440  2.133  0.638 . . . 1.0 . . . . . . . . . . . . A .  3 PRO N    . . . . . . . . . rr_1dng 1 
       . 1 .  43 . 1 1  3 PRO O    O  -6.855  2.430  3.513 . . . 1.0 . . . . . . . . . . . . A .  3 PRO O    . . . . . . . . . rr_1dng 1 
       . 1 .  44 . 1 1  4 ALA C    C  -4.137  2.563  2.732 . . . 1.0 . . . . . . . . . . . . A .  4 ALA C    . . . . . . . . . rr_1dng 1 
       . 1 .  45 . 1 1  4 ALA CA   C  -4.787  3.948  2.556 . . . 1.0 . . . . . . . . . . . . A .  4 ALA CA   . . . . . . . . . rr_1dng 1 
       . 1 .  46 . 1 1  4 ALA CB   C  -4.996  4.623  3.916 . . . 1.0 . . . . . . . . . . . . A .  4 ALA CB   . . . . . . . . . rr_1dng 1 
       . 1 .  47 . 1 1  4 ALA H    H  -6.372  4.345  1.144 . . . 1.0 . . . . . . . . . . . . A .  4 ALA H    . . . . . . . . . rr_1dng 1 
       . 1 .  48 . 1 1  4 ALA HA   H  -4.163  4.572  1.936 . . . 1.0 . . . . . . . . . . . . A .  4 ALA HA   . . . . . . . . . rr_1dng 1 
       . 1 .  49 . 1 1  4 ALA HB1  H  -5.303  3.885  4.642 . . . 1.0 . . . . . . . . . . . . A .  4 ALA HB1  . . . . . . . . . rr_1dng 1 
       . 1 .  50 . 1 1  4 ALA HB2  H  -5.761  5.381  3.828 . . . 1.0 . . . . . . . . . . . . A .  4 ALA HB2  . . . . . . . . . rr_1dng 1 
       . 1 .  51 . 1 1  4 ALA HB3  H  -4.072  5.081  4.236 . . . 1.0 . . . . . . . . . . . . A .  4 ALA HB3  . . . . . . . . . rr_1dng 1 
       . 1 .  52 . 1 1  4 ALA N    N  -6.158  3.837  1.956 . . . 1.0 . . . . . . . . . . . . A .  4 ALA N    . . . . . . . . . rr_1dng 1 
       . 1 .  53 . 1 1  4 ALA O    O  -3.219  2.398  3.516 . . . 1.0 . . . . . . . . . . . . A .  4 ALA O    . . . . . . . . . rr_1dng 1 
       . 1 .  54 . 1 1  5 TYR C    C  -3.163 -0.101  0.872 . . . 1.0 . . . . . . . . . . . . A .  5 TYR C    . . . . . . . . . rr_1dng 1 
       . 1 .  55 . 1 1  5 TYR CA   C  -3.997  0.209  2.123 . . . 1.0 . . . . . . . . . . . . A .  5 TYR CA   . . . . . . . . . rr_1dng 1 
       . 1 .  56 . 1 1  5 TYR CB   C  -5.199 -0.747  2.286 . . . 1.0 . . . . . . . . . . . . A .  5 TYR CB   . . . . . . . . . rr_1dng 1 
       . 1 .  57 . 1 1  5 TYR CD1  C  -6.127 -0.958 -0.057 . . . 1.0 . . . . . . . . . . . . A .  5 TYR CD1  . . . . . . . . . rr_1dng 1 
       . 1 .  58 . 1 1  5 TYR CD2  C  -5.009 -2.870  0.932 . . . 1.0 . . . . . . . . . . . . A .  5 TYR CD2  . . . . . . . . . rr_1dng 1 
       . 1 .  59 . 1 1  5 TYR CE1  C  -6.361 -1.698 -1.222 . . . 1.0 . . . . . . . . . . . . A .  5 TYR CE1  . . . . . . . . . rr_1dng 1 
       . 1 .  60 . 1 1  5 TYR CE2  C  -5.246 -3.610 -0.233 . . . 1.0 . . . . . . . . . . . . A .  5 TYR CE2  . . . . . . . . . rr_1dng 1 
       . 1 .  61 . 1 1  5 TYR CG   C  -5.450 -1.544  1.021 . . . 1.0 . . . . . . . . . . . . A .  5 TYR CG   . . . . . . . . . rr_1dng 1 
       . 1 .  62 . 1 1  5 TYR CZ   C  -5.921 -3.023 -1.310 . . . 1.0 . . . . . . . . . . . . A .  5 TYR CZ   . . . . . . . . . rr_1dng 1 
       . 1 .  63 . 1 1  5 TYR H    H  -5.327  1.728  1.373 . . . 1.0 . . . . . . . . . . . . A .  5 TYR H    . . . . . . . . . rr_1dng 1 
       . 1 .  64 . 1 1  5 TYR HA   H  -3.371  0.158  2.997 . . . 1.0 . . . . . . . . . . . . A .  5 TYR HA   . . . . . . . . . rr_1dng 1 
       . 1 .  65 . 1 1  5 TYR HB2  H  -4.999 -1.430  3.098 . . . 1.0 . . . . . . . . . . . . A .  5 TYR HB2  . . . . . . . . . rr_1dng 1 
       . 1 .  66 . 1 1  5 TYR HB3  H  -6.081 -0.169  2.522 . . . 1.0 . . . . . . . . . . . . A .  5 TYR HB3  . . . . . . . . . rr_1dng 1 
       . 1 .  67 . 1 1  5 TYR HD1  H  -6.465  0.065  0.011 . . . 1.0 . . . . . . . . . . . . A .  5 TYR HD1  . . . . . . . . . rr_1dng 1 
       . 1 .  68 . 1 1  5 TYR HD2  H  -4.488 -3.323  1.762 . . . 1.0 . . . . . . . . . . . . A .  5 TYR HD2  . . . . . . . . . rr_1dng 1 
       . 1 .  69 . 1 1  5 TYR HE1  H  -6.882 -1.245 -2.053 . . . 1.0 . . . . . . . . . . . . A .  5 TYR HE1  . . . . . . . . . rr_1dng 1 
       . 1 .  70 . 1 1  5 TYR HE2  H  -4.906 -4.632 -0.301 . . . 1.0 . . . . . . . . . . . . A .  5 TYR HE2  . . . . . . . . . rr_1dng 1 
       . 1 .  71 . 1 1  5 TYR HH   H  -5.323 -3.844 -2.928 . . . 1.0 . . . . . . . . . . . . A .  5 TYR HH   . . . . . . . . . rr_1dng 1 
       . 1 .  72 . 1 1  5 TYR N    N  -4.595  1.573  2.004 . . . 1.0 . . . . . . . . . . . . A .  5 TYR N    . . . . . . . . . rr_1dng 1 
       . 1 .  73 . 1 1  5 TYR O    O  -2.182 -0.818  0.934 . . . 1.0 . . . . . . . . . . . . A .  5 TYR O    . . . . . . . . . rr_1dng 1 
       . 1 .  74 . 1 1  5 TYR OH   O  -6.156 -3.753 -2.458 . . . 1.0 . . . . . . . . . . . . A .  5 TYR OH   . . . . . . . . . rr_1dng 1 
       . 1 .  75 . 1 1  6 GLU C    C  -1.356  0.812 -1.388 . . . 1.0 . . . . . . . . . . . . A .  6 GLU C    . . . . . . . . . rr_1dng 1 
       . 1 .  76 . 1 1  6 GLU CA   C  -2.757  0.197 -1.508 . . . 1.0 . . . . . . . . . . . . A .  6 GLU CA   . . . . . . . . . rr_1dng 1 
       . 1 .  77 . 1 1  6 GLU CB   C  -3.550  0.849 -2.651 . . . 1.0 . . . . . . . . . . . . A .  6 GLU CB   . . . . . . . . . rr_1dng 1 
       . 1 .  78 . 1 1  6 GLU CD   C  -3.842  3.161 -3.560 . . . 1.0 . . . . . . . . . . . . A .  6 GLU CD   . . . . . . . . . rr_1dng 1 
       . 1 .  79 . 1 1  6 GLU CG   C  -3.916  2.297 -2.301 . . . 1.0 . . . . . . . . . . . . A .  6 GLU CG   . . . . . . . . . rr_1dng 1 
       . 1 .  80 . 1 1  6 GLU H    H  -4.330  1.031 -0.272 . . . 1.0 . . . . . . . . . . . . A .  6 GLU H    . . . . . . . . . rr_1dng 1 
       . 1 .  81 . 1 1  6 GLU HA   H  -2.675 -0.861 -1.680 . . . 1.0 . . . . . . . . . . . . A .  6 GLU HA   . . . . . . . . . rr_1dng 1 
       . 1 .  82 . 1 1  6 GLU HB2  H  -2.950  0.841 -3.549 . . . 1.0 . . . . . . . . . . . . A .  6 GLU HB2  . . . . . . . . . rr_1dng 1 
       . 1 .  83 . 1 1  6 GLU HB3  H  -4.455  0.285 -2.824 . . . 1.0 . . . . . . . . . . . . A .  6 GLU HB3  . . . . . . . . . rr_1dng 1 
       . 1 .  84 . 1 1  6 GLU HG2  H  -4.919  2.329 -1.901 . . . 1.0 . . . . . . . . . . . . A .  6 GLU HG2  . . . . . . . . . rr_1dng 1 
       . 1 .  85 . 1 1  6 GLU HG3  H  -3.226  2.679 -1.567 . . . 1.0 . . . . . . . . . . . . A .  6 GLU HG3  . . . . . . . . . rr_1dng 1 
       . 1 .  86 . 1 1  6 GLU N    N  -3.539  0.448 -0.255 . . . 1.0 . . . . . . . . . . . . A .  6 GLU N    . . . . . . . . . rr_1dng 1 
       . 1 .  87 . 1 1  6 GLU O    O  -0.393  0.288 -1.914 . . . 1.0 . . . . . . . . . . . . A .  6 GLU O    . . . . . . . . . rr_1dng 1 
       . 1 .  88 . 1 1  6 GLU OE1  O  -4.761  3.091 -4.360 . . . 1.0 . . . . . . . . . . . . A .  6 GLU OE1  . . . . . . . . . rr_1dng 1 
       . 1 .  89 . 1 1  6 GLU OE2  O  -2.867  3.878 -3.701 . . . 1.0 . . . . . . . . . . . . A .  6 GLU OE2  . . . . . . . . . rr_1dng 1 
       . 1 .  90 . 1 1  7 GLU C    C   0.976  1.667  0.402 . . . 1.0 . . . . . . . . . . . . A .  7 GLU C    . . . . . . . . . rr_1dng 1 
       . 1 .  91 . 1 1  7 GLU CA   C   0.104  2.545 -0.501 . . . 1.0 . . . . . . . . . . . . A .  7 GLU CA   . . . . . . . . . rr_1dng 1 
       . 1 .  92 . 1 1  7 GLU CB   C  -0.167  3.909  0.152 . . . 1.0 . . . . . . . . . . . . A .  7 GLU CB   . . . . . . . . . rr_1dng 1 
       . 1 .  93 . 1 1  7 GLU CD   C  -1.459  5.044  1.995 . . . 1.0 . . . . . . . . . . . . A .  7 GLU CD   . . . . . . . . . rr_1dng 1 
       . 1 .  94 . 1 1  7 GLU CG   C  -0.846  3.722  1.520 . . . 1.0 . . . . . . . . . . . . A .  7 GLU CG   . . . . . . . . . rr_1dng 1 
       . 1 .  95 . 1 1  7 GLU H    H  -2.024  2.294 -0.252 . . . 1.0 . . . . . . . . . . . . A .  7 GLU H    . . . . . . . . . rr_1dng 1 
       . 1 .  96 . 1 1  7 GLU HA   H   0.580  2.680 -1.456 . . . 1.0 . . . . . . . . . . . . A .  7 GLU HA   . . . . . . . . . rr_1dng 1 
       . 1 .  97 . 1 1  7 GLU HB2  H   0.768  4.431  0.286 . . . 1.0 . . . . . . . . . . . . A .  7 GLU HB2  . . . . . . . . . rr_1dng 1 
       . 1 .  98 . 1 1  7 GLU HB3  H  -0.813  4.489 -0.490 . . . 1.0 . . . . . . . . . . . . A .  7 GLU HB3  . . . . . . . . . rr_1dng 1 
       . 1 .  99 . 1 1  7 GLU HG2  H  -1.624  2.978  1.437 . . . 1.0 . . . . . . . . . . . . A .  7 GLU HG2  . . . . . . . . . rr_1dng 1 
       . 1 . 100 . 1 1  7 GLU HG3  H  -0.112  3.391  2.240 . . . 1.0 . . . . . . . . . . . . A .  7 GLU HG3  . . . . . . . . . rr_1dng 1 
       . 1 . 101 . 1 1  7 GLU N    N  -1.236  1.906 -0.679 . . . 1.0 . . . . . . . . . . . . A .  7 GLU N    . . . . . . . . . rr_1dng 1 
       . 1 . 102 . 1 1  7 GLU O    O   2.169  1.536  0.196 . . . 1.0 . . . . . . . . . . . . A .  7 GLU O    . . . . . . . . . rr_1dng 1 
       . 1 . 103 . 1 1  7 GLU OE1  O  -1.981  5.775  1.167 . . . 1.0 . . . . . . . . . . . . A .  7 GLU OE1  . . . . . . . . . rr_1dng 1 
       . 1 . 104 . 1 1  7 GLU OE2  O  -1.402  5.300  3.185 . . . 1.0 . . . . . . . . . . . . A .  7 GLU OE2  . . . . . . . . . rr_1dng 1 
       . 1 . 105 . 1 1  8 ALA C    C   1.568 -1.109  1.555 . . . 1.0 . . . . . . . . . . . . A .  8 ALA C    . . . . . . . . . rr_1dng 1 
       . 1 . 106 . 1 1  8 ALA CA   C   1.146  0.159  2.305 . . . 1.0 . . . . . . . . . . . . A .  8 ALA CA   . . . . . . . . . rr_1dng 1 
       . 1 . 107 . 1 1  8 ALA CB   C   0.187 -0.181  3.446 . . . 1.0 . . . . . . . . . . . . A .  8 ALA CB   . . . . . . . . . rr_1dng 1 
       . 1 . 108 . 1 1  8 ALA H    H  -0.588  1.166  1.516 . . . 1.0 . . . . . . . . . . . . A .  8 ALA H    . . . . . . . . . rr_1dng 1 
       . 1 . 109 . 1 1  8 ALA HA   H   2.012  0.674  2.690 . . . 1.0 . . . . . . . . . . . . A .  8 ALA HA   . . . . . . . . . rr_1dng 1 
       . 1 . 110 . 1 1  8 ALA HB1  H   0.702 -0.782  4.181 . . . 1.0 . . . . . . . . . . . . A .  8 ALA HB1  . . . . . . . . . rr_1dng 1 
       . 1 . 111 . 1 1  8 ALA HB2  H  -0.655 -0.733  3.056 . . . 1.0 . . . . . . . . . . . . A .  8 ALA HB2  . . . . . . . . . rr_1dng 1 
       . 1 . 112 . 1 1  8 ALA HB3  H  -0.161  0.731  3.907 . . . 1.0 . . . . . . . . . . . . A .  8 ALA HB3  . . . . . . . . . rr_1dng 1 
       . 1 . 113 . 1 1  8 ALA N    N   0.375  1.051  1.389 . . . 1.0 . . . . . . . . . . . . A .  8 ALA N    . . . . . . . . . rr_1dng 1 
       . 1 . 114 . 1 1  8 ALA O    O   2.571 -1.714  1.875 . . . 1.0 . . . . . . . . . . . . A .  8 ALA O    . . . . . . . . . rr_1dng 1 
       . 1 . 115 . 1 1  9 ALA C    C   2.581 -2.514 -0.858 . . . 1.0 . . . . . . . . . . . . A .  9 ALA C    . . . . . . . . . rr_1dng 1 
       . 1 . 116 . 1 1  9 ALA CA   C   1.196 -2.721 -0.235 . . . 1.0 . . . . . . . . . . . . A .  9 ALA CA   . . . . . . . . . rr_1dng 1 
       . 1 . 117 . 1 1  9 ALA CB   C   0.127 -2.851 -1.323 . . . 1.0 . . . . . . . . . . . . A .  9 ALA CB   . . . . . . . . . rr_1dng 1 
       . 1 . 118 . 1 1  9 ALA H    H   0.021 -0.990  0.300 . . . 1.0 . . . . . . . . . . . . A .  9 ALA H    . . . . . . . . . rr_1dng 1 
       . 1 . 119 . 1 1  9 ALA HA   H   1.191 -3.595  0.398 . . . 1.0 . . . . . . . . . . . . A .  9 ALA HA   . . . . . . . . . rr_1dng 1 
       . 1 . 120 . 1 1  9 ALA HB1  H   0.283 -2.090 -2.074 . . . 1.0 . . . . . . . . . . . . A .  9 ALA HB1  . . . . . . . . . rr_1dng 1 
       . 1 . 121 . 1 1  9 ALA HB2  H  -0.852 -2.726 -0.883 . . . 1.0 . . . . . . . . . . . . A .  9 ALA HB2  . . . . . . . . . rr_1dng 1 
       . 1 . 122 . 1 1  9 ALA HB3  H   0.195 -3.827 -1.780 . . . 1.0 . . . . . . . . . . . . A .  9 ALA HB3  . . . . . . . . . rr_1dng 1 
       . 1 . 123 . 1 1  9 ALA N    N   0.820 -1.504  0.548 . . . 1.0 . . . . . . . . . . . . A .  9 ALA N    . . . . . . . . . rr_1dng 1 
       . 1 . 124 . 1 1  9 ALA O    O   3.409 -3.407 -0.866 . . . 1.0 . . . . . . . . . . . . A .  9 ALA O    . . . . . . . . . rr_1dng 1 
       . 1 . 125 . 1 1 10 GLU C    C   5.229 -0.927 -0.846 . . . 1.0 . . . . . . . . . . . . A . 10 GLU C    . . . . . . . . . rr_1dng 1 
       . 1 . 126 . 1 1 10 GLU CA   C   4.178 -1.031 -1.956 . . . 1.0 . . . . . . . . . . . . A . 10 GLU CA   . . . . . . . . . rr_1dng 1 
       . 1 . 127 . 1 1 10 GLU CB   C   4.020  0.320 -2.661 . . . 1.0 . . . . . . . . . . . . A . 10 GLU CB   . . . . . . . . . rr_1dng 1 
       . 1 . 128 . 1 1 10 GLU CD   C   2.613  1.385 -4.434 . . . 1.0 . . . . . . . . . . . . A . 10 GLU CD   . . . . . . . . . rr_1dng 1 
       . 1 . 129 . 1 1 10 GLU CG   C   3.367  0.115 -4.029 . . . 1.0 . . . . . . . . . . . . A . 10 GLU CG   . . . . . . . . . rr_1dng 1 
       . 1 . 130 . 1 1 10 GLU H    H   2.160 -0.623 -1.315 . . . 1.0 . . . . . . . . . . . . A . 10 GLU H    . . . . . . . . . rr_1dng 1 
       . 1 . 131 . 1 1 10 GLU HA   H   4.452 -1.793 -2.669 . . . 1.0 . . . . . . . . . . . . A . 10 GLU HA   . . . . . . . . . rr_1dng 1 
       . 1 . 132 . 1 1 10 GLU HB2  H   3.400  0.970 -2.059 . . . 1.0 . . . . . . . . . . . . A . 10 GLU HB2  . . . . . . . . . rr_1dng 1 
       . 1 . 133 . 1 1 10 GLU HB3  H   4.991  0.772 -2.793 . . . 1.0 . . . . . . . . . . . . A . 10 GLU HB3  . . . . . . . . . rr_1dng 1 
       . 1 . 134 . 1 1 10 GLU HG2  H   4.130 -0.100 -4.762 . . . 1.0 . . . . . . . . . . . . A . 10 GLU HG2  . . . . . . . . . rr_1dng 1 
       . 1 . 135 . 1 1 10 GLU HG3  H   2.675 -0.711 -3.977 . . . 1.0 . . . . . . . . . . . . A . 10 GLU HG3  . . . . . . . . . rr_1dng 1 
       . 1 . 136 . 1 1 10 GLU N    N   2.842 -1.327 -1.355 . . . 1.0 . . . . . . . . . . . . A . 10 GLU N    . . . . . . . . . rr_1dng 1 
       . 1 . 137 . 1 1 10 GLU O    O   6.358 -1.344 -1.011 . . . 1.0 . . . . . . . . . . . . A . 10 GLU O    . . . . . . . . . rr_1dng 1 
       . 1 . 138 . 1 1 10 GLU OE1  O   1.490  1.552 -3.988 . . . 1.0 . . . . . . . . . . . . A . 10 GLU OE1  . . . . . . . . . rr_1dng 1 
       . 1 . 139 . 1 1 10 GLU OE2  O   3.173  2.168 -5.184 . . . 1.0 . . . . . . . . . . . . A . 10 GLU OE2  . . . . . . . . . rr_1dng 1 
       . 1 . 140 . 1 1 11 GLU C    C   6.115 -1.647  2.002 . . . 1.0 . . . . . . . . . . . . A . 11 GLU C    . . . . . . . . . rr_1dng 1 
       . 1 . 141 . 1 1 11 GLU CA   C   5.817 -0.259  1.426 . . . 1.0 . . . . . . . . . . . . A . 11 GLU CA   . . . . . . . . . rr_1dng 1 
       . 1 . 142 . 1 1 11 GLU CB   C   5.099  0.618  2.459 . . . 1.0 . . . . . . . . . . . . A . 11 GLU CB   . . . . . . . . . rr_1dng 1 
       . 1 . 143 . 1 1 11 GLU CD   C   6.619  2.580  2.809 . . . 1.0 . . . . . . . . . . . . A . 11 GLU CD   . . . . . . . . . rr_1dng 1 
       . 1 . 144 . 1 1 11 GLU CG   C   6.124  1.257  3.402 . . . 1.0 . . . . . . . . . . . . A . 11 GLU CG   . . . . . . . . . rr_1dng 1 
       . 1 . 145 . 1 1 11 GLU H    H   3.932 -0.072  0.397 . . . 1.0 . . . . . . . . . . . . A . 11 GLU H    . . . . . . . . . rr_1dng 1 
       . 1 . 146 . 1 1 11 GLU HA   H   6.727  0.220  1.100 . . . 1.0 . . . . . . . . . . . . A . 11 GLU HA   . . . . . . . . . rr_1dng 1 
       . 1 . 147 . 1 1 11 GLU HB2  H   4.547  1.394  1.948 . . . 1.0 . . . . . . . . . . . . A . 11 GLU HB2  . . . . . . . . . rr_1dng 1 
       . 1 . 148 . 1 1 11 GLU HB3  H   4.416  0.009  3.033 . . . 1.0 . . . . . . . . . . . . A . 11 GLU HB3  . . . . . . . . . rr_1dng 1 
       . 1 . 149 . 1 1 11 GLU HG2  H   5.660  1.442  4.360 . . . 1.0 . . . . . . . . . . . . A . 11 GLU HG2  . . . . . . . . . rr_1dng 1 
       . 1 . 150 . 1 1 11 GLU HG3  H   6.960  0.587  3.532 . . . 1.0 . . . . . . . . . . . . A . 11 GLU HG3  . . . . . . . . . rr_1dng 1 
       . 1 . 151 . 1 1 11 GLU N    N   4.854 -0.384  0.289 . . . 1.0 . . . . . . . . . . . . A . 11 GLU N    . . . . . . . . . rr_1dng 1 
       . 1 . 152 . 1 1 11 GLU O    O   7.214 -1.923  2.444 . . . 1.0 . . . . . . . . . . . . A . 11 GLU O    . . . . . . . . . rr_1dng 1 
       . 1 . 153 . 1 1 11 GLU OE1  O   6.011  3.599  3.094 . . . 1.0 . . . . . . . . . . . . A . 11 GLU OE1  . . . . . . . . . rr_1dng 1 
       . 1 . 154 . 1 1 11 GLU OE2  O   7.596  2.552  2.078 . . . 1.0 . . . . . . . . . . . . A . 11 GLU OE2  . . . . . . . . . rr_1dng 1 
       . 1 . 155 . 1 1 12 LEU C    C   6.368 -4.647  1.654 . . . 1.0 . . . . . . . . . . . . A . 12 LEU C    . . . . . . . . . rr_1dng 1 
       . 1 . 156 . 1 1 12 LEU CA   C   5.339 -3.905  2.512 . . . 1.0 . . . . . . . . . . . . A . 12 LEU CA   . . . . . . . . . rr_1dng 1 
       . 1 . 157 . 1 1 12 LEU CB   C   3.967 -4.576  2.396 . . . 1.0 . . . . . . . . . . . . A . 12 LEU CB   . . . . . . . . . rr_1dng 1 
       . 1 . 158 . 1 1 12 LEU CD1  C   1.723 -4.853  3.461 . . . 1.0 . . . . . . . . . . . . A . 12 LEU CD1  . . . . . . . . . rr_1dng 1 
       . 1 . 159 . 1 1 12 LEU CD2  C   3.764 -4.666  4.891 . . . 1.0 . . . . . . . . . . . . A . 12 LEU CD2  . . . . . . . . . rr_1dng 1 
       . 1 . 160 . 1 1 12 LEU CG   C   3.097 -4.192  3.595 . . . 1.0 . . . . . . . . . . . . A . 12 LEU CG   . . . . . . . . . rr_1dng 1 
       . 1 . 161 . 1 1 12 LEU H    H   4.266 -2.267  1.613 . . . 1.0 . . . . . . . . . . . . A . 12 LEU H    . . . . . . . . . rr_1dng 1 
       . 1 . 162 . 1 1 12 LEU HA   H   5.654 -3.876  3.543 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HA   . . . . . . . . . rr_1dng 1 
       . 1 . 163 . 1 1 12 LEU HB2  H   3.486 -4.250  1.485 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HB2  . . . . . . . . . rr_1dng 1 
       . 1 . 164 . 1 1 12 LEU HB3  H   4.093 -5.644  2.371 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HB3  . . . . . . . . . rr_1dng 1 
       . 1 . 165 . 1 1 12 LEU HD11 H   1.822 -5.920  3.593 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD11 . . . . . . . . . rr_1dng 1 
       . 1 . 166 . 1 1 12 LEU HD12 H   1.320 -4.647  2.480 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD12 . . . . . . . . . rr_1dng 1 
       . 1 . 167 . 1 1 12 LEU HD13 H   1.058 -4.456  4.214 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD13 . . . . . . . . . rr_1dng 1 
       . 1 . 168 . 1 1 12 LEU HD21 H   4.258 -5.610  4.718 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD21 . . . . . . . . . rr_1dng 1 
       . 1 . 169 . 1 1 12 LEU HD22 H   3.014 -4.787  5.659 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD22 . . . . . . . . . rr_1dng 1 
       . 1 . 170 . 1 1 12 LEU HD23 H   4.490 -3.933  5.211 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD23 . . . . . . . . . rr_1dng 1 
       . 1 . 171 . 1 1 12 LEU HG   H   2.979 -3.119  3.619 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HG   . . . . . . . . . rr_1dng 1 
       . 1 . 172 . 1 1 12 LEU N    N   5.138 -2.522  1.984 . . . 1.0 . . . . . . . . . . . . A . 12 LEU N    . . . . . . . . . rr_1dng 1 
       . 1 . 173 . 1 1 12 LEU O    O   7.303 -5.234  2.160 . . . 1.0 . . . . . . . . . . . . A . 12 LEU O    . . . . . . . . . rr_1dng 1 
       . 1 . 174 . 1 1 13 ALA C    C   8.493 -4.525 -0.597 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C    . . . . . . . . . rr_1dng 1 
       . 1 . 175 . 1 1 13 ALA CA   C   7.170 -5.301 -0.554 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA   . . . . . . . . . rr_1dng 1 
       . 1 . 176 . 1 1 13 ALA CB   C   6.502 -5.292 -1.929 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB   . . . . . . . . . rr_1dng 1 
       . 1 . 177 . 1 1 13 ALA H    H   5.438 -4.121 -0.023 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H    . . . . . . . . . rr_1dng 1 
       . 1 . 178 . 1 1 13 ALA HA   H   7.337 -6.316 -0.229 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA   . . . . . . . . . rr_1dng 1 
       . 1 . 179 . 1 1 13 ALA HB1  H   6.356 -4.272 -2.251 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1  . . . . . . . . . rr_1dng 1 
       . 1 . 180 . 1 1 13 ALA HB2  H   5.546 -5.791 -1.867 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2  . . . . . . . . . rr_1dng 1 
       . 1 . 181 . 1 1 13 ALA HB3  H   7.132 -5.808 -2.638 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3  . . . . . . . . . rr_1dng 1 
       . 1 . 182 . 1 1 13 ALA N    N   6.200 -4.611  0.355 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N    . . . . . . . . . rr_1dng 1 
       . 1 . 183 . 1 1 13 ALA O    O   9.553 -5.097 -0.768 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O    . . . . . . . . . rr_1dng 1 
       . 1 . 184 . 1 1 14 LYS C    C  10.101 -2.074  0.982 . . . 1.0 . . . . . . . . . . . . A . 14 LYS C    . . . . . . . . . rr_1dng 1 
       . 1 . 185 . 1 1 14 LYS CA   C   9.664 -2.388 -0.461 . . . 1.0 . . . . . . . . . . . . A . 14 LYS CA   . . . . . . . . . rr_1dng 1 
       . 1 . 186 . 1 1 14 LYS CB   C   9.241 -1.118 -1.212 . . . 1.0 . . . . . . . . . . . . A . 14 LYS CB   . . . . . . . . . rr_1dng 1 
       . 1 . 187 . 1 1 14 LYS CD   C  10.002  1.186 -0.618 . . . 1.0 . . . . . . . . . . . . A . 14 LYS CD   . . . . . . . . . rr_1dng 1 
       . 1 . 188 . 1 1 14 LYS CE   C   8.824  1.819 -1.373 . . . 1.0 . . . . . . . . . . . . A . 14 LYS CE   . . . . . . . . . rr_1dng 1 
       . 1 . 189 . 1 1 14 LYS CG   C  10.407 -0.128 -1.295 . . . 1.0 . . . . . . . . . . . . A . 14 LYS CG   . . . . . . . . . rr_1dng 1 
       . 1 . 190 . 1 1 14 LYS H    H   7.558 -2.795 -0.302 . . . 1.0 . . . . . . . . . . . . A . 14 LYS H    . . . . . . . . . rr_1dng 1 
       . 1 . 191 . 1 1 14 LYS HA   H  10.454 -2.891 -0.996 . . . 1.0 . . . . . . . . . . . . A . 14 LYS HA   . . . . . . . . . rr_1dng 1 
       . 1 . 192 . 1 1 14 LYS HB2  H   8.926 -1.383 -2.211 . . . 1.0 . . . . . . . . . . . . A . 14 LYS HB2  . . . . . . . . . rr_1dng 1 
       . 1 . 193 . 1 1 14 LYS HB3  H   8.418 -0.655 -0.690 . . . 1.0 . . . . . . . . . . . . A . 14 LYS HB3  . . . . . . . . . rr_1dng 1 
       . 1 . 194 . 1 1 14 LYS HD2  H   9.708  0.984  0.403 . . . 1.0 . . . . . . . . . . . . A . 14 LYS HD2  . . . . . . . . . rr_1dng 1 
       . 1 . 195 . 1 1 14 LYS HD3  H  10.840  1.865 -0.622 . . . 1.0 . . . . . . . . . . . . A . 14 LYS HD3  . . . . . . . . . rr_1dng 1 
       . 1 . 196 . 1 1 14 LYS HE2  H   8.281  1.061 -1.922 . . . 1.0 . . . . . . . . . . . . A . 14 LYS HE2  . . . . . . . . . rr_1dng 1 
       . 1 . 197 . 1 1 14 LYS HE3  H   8.166  2.326 -0.684 . . . 1.0 . . . . . . . . . . . . A . 14 LYS HE3  . . . . . . . . . rr_1dng 1 
       . 1 . 198 . 1 1 14 LYS HG2  H  11.271 -0.543 -0.795 . . . 1.0 . . . . . . . . . . . . A . 14 LYS HG2  . . . . . . . . . rr_1dng 1 
       . 1 . 199 . 1 1 14 LYS HG3  H  10.645  0.062 -2.331 . . . 1.0 . . . . . . . . . . . . A . 14 LYS HG3  . . . . . . . . . rr_1dng 1 
       . 1 . 200 . 1 1 14 LYS HZ1  H  10.324  2.421 -2.695 . . . 1.0 . . . . . . . . . . . . A . 14 LYS HZ1  . . . . . . . . . rr_1dng 1 
       . 1 . 201 . 1 1 14 LYS HZ2  H   9.627  3.693 -1.807 . . . 1.0 . . . . . . . . . . . . A . 14 LYS HZ2  . . . . . . . . . rr_1dng 1 
       . 1 . 202 . 1 1 14 LYS HZ3  H   8.776  2.987 -3.097 . . . 1.0 . . . . . . . . . . . . A . 14 LYS HZ3  . . . . . . . . . rr_1dng 1 
       . 1 . 203 . 1 1 14 LYS N    N   8.429 -3.225 -0.439 . . . 1.0 . . . . . . . . . . . . A . 14 LYS N    . . . . . . . . . rr_1dng 1 
       . 1 . 204 . 1 1 14 LYS NZ   N   9.435  2.804 -2.313 . . . 1.0 . . . . . . . . . . . . A . 14 LYS NZ   . . . . . . . . . rr_1dng 1 
       . 1 . 205 . 1 1 14 LYS O    O  10.254 -0.930  1.365 . . . 1.0 . . . . . . . . . . . . A . 14 LYS O    . . . . . . . . . rr_1dng 1 
       . 1 . 206 . 1 1 15 SER C    C  12.029 -3.609  3.498 . . . 1.0 . . . . . . . . . . . . A . 15 SER C    . . . . . . . . . rr_1dng 1 
       . 1 . 207 . 1 1 15 SER CA   C  10.720 -2.863  3.203 . . . 1.0 . . . . . . . . . . . . A . 15 SER CA   . . . . . . . . . rr_1dng 1 
       . 1 . 208 . 1 1 15 SER CB   C   9.576 -3.422  4.055 . . . 1.0 . . . . . . . . . . . . A . 15 SER CB   . . . . . . . . . rr_1dng 1 
       . 1 . 209 . 1 1 15 SER H    H  10.161 -4.002  1.456 . . . 1.0 . . . . . . . . . . . . A . 15 SER H    . . . . . . . . . rr_1dng 1 
       . 1 . 210 . 1 1 15 SER HA   H  10.839 -1.809  3.396 . . . 1.0 . . . . . . . . . . . . A . 15 SER HA   . . . . . . . . . rr_1dng 1 
       . 1 . 211 . 1 1 15 SER HB2  H   8.879 -3.949  3.426 . . . 1.0 . . . . . . . . . . . . A . 15 SER HB2  . . . . . . . . . rr_1dng 1 
       . 1 . 212 . 1 1 15 SER HB3  H   9.978 -4.104  4.792 . . . 1.0 . . . . . . . . . . . . A . 15 SER HB3  . . . . . . . . . rr_1dng 1 
       . 1 . 213 . 1 1 15 SER HG   H   8.286 -1.961  4.073 . . . 1.0 . . . . . . . . . . . . A . 15 SER HG   . . . . . . . . . rr_1dng 1 
       . 1 . 214 . 1 1 15 SER N    N  10.296 -3.090  1.785 . . . 1.0 . . . . . . . . . . . . A . 15 SER N    . . . . . . . . . rr_1dng 1 
       . 1 . 215 . 1 1 15 SER O    O  12.918 -3.000  4.074 . . . 1.0 . . . . . . . . . . . . A . 15 SER O    . . . . . . . . . rr_1dng 1 
       . 1 . 216 . 1 1 15 SER OXT  O  12.121 -4.776  3.146 . . . 1.0 . . . . . . . . . . . . A . 15 SER OXT  . . . . . . . . . rr_1dng 1 
       . 1 . 217 . 1 1 15 SER OG   O   8.902 -2.348  4.703 . . . 1.0 . . . . . . . . . . . . A . 15 SER OG   . . . . . . . . . rr_1dng 1 
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_framecode  global_Org_file_characteristics
    _Constraint_stat_list.Sf_category   constraint_statistics
    _Constraint_stat_list.Entry_ID      rr_1dng
    _Constraint_stat_list.ID            1

    loop_
       _Constraint_file.ID
       _Constraint_file.Constraint_filename
       _Constraint_file.Software_ID
       _Constraint_file.Software_label
       _Constraint_file.Software_name
       _Constraint_file.Block_ID
       _Constraint_file.Constraint_type
       _Constraint_file.Constraint_subtype
       _Constraint_file.Constraint_subsubtype
       _Constraint_file.Constraint_number
       _Constraint_file.Entry_ID
       _Constraint_file.Constraint_stat_list_ID

       1 1dng.mr . . "MR format" 1  comment               "Not applicable" "Not applicable"   0 rr_1dng 1 
       1 1dng.mr . .  n/a        2  comment               "Not applicable" "Not applicable"   0 rr_1dng 1 
       1 1dng.mr . .  XPLOR/CNS  3 "dihedral angle"       "Not applicable" "Not applicable"   8 rr_1dng 1 
       1 1dng.mr . .  XPLOR/CNS  4  distance               NOE              simple          220 rr_1dng 1 
       1 1dng.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable"   0 rr_1dng 1 
    stop_

save_


save_constraint_statistics
    _Constraint_stat_list.Sf_category   constraint_statistics
    _Constraint_stat_list.Sf_framecode  constraint_statistics
    _Constraint_stat_list.Entry_ID      rr_1dng
    _Constraint_stat_list.ID            1

    loop_
       _Constraint_file.ID
       _Constraint_file.Constraint_filename
       _Constraint_file.Software_ID
       _Constraint_file.Software_label
       _Constraint_file.Software_name
       _Constraint_file.Block_ID
       _Constraint_file.Constraint_type
       _Constraint_file.Constraint_subtype
       _Constraint_file.Constraint_subsubtype
       _Constraint_file.Constraint_number
       _Constraint_file.Entry_ID
       _Constraint_file.Constraint_stat_list_ID

       1 "From CCPN project: '1dng'" . . . .  distance        "general distance" . 220 rr_1dng 1 
       2 "From CCPN project: '1dng'" . . . . "dihedral angle" "Not applicable"   .   8 rr_1dng 1 
    stop_

    loop_
       _Constraint_file.ID
       _Constraint_file.Constraint_filename
       _Constraint_file.Software_ID
       _Constraint_file.Software_label
       _Constraint_file.Software_name
       _Constraint_file.Block_ID
       _Constraint_file.Constraint_type
       _Constraint_file.Constraint_subtype
       _Constraint_file.Constraint_subsubtype
       _Constraint_file.Constraint_number
       _Constraint_file.Entry_ID
       _Constraint_file.Constraint_stat_list_ID

       1 1dng.mr . . "MR format" 1  comment               "Not applicable" "Not applicable"   0 rr_1dng 1 
       1 1dng.mr . .  n/a        2  comment               "Not applicable" "Not applicable"   0 rr_1dng 1 
       1 1dng.mr . .  XPLOR/CNS  3 "dihedral angle"       "Not applicable" "Not applicable"   8 rr_1dng 1 
       1 1dng.mr . .  XPLOR/CNS  4  distance               NOE              simple          220 rr_1dng 1 
       1 1dng.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable"   0 rr_1dng 1 
    stop_

save_


save_CNS/XPLOR_distance_constraints_4
    _Gen_dist_constraint_list.Sf_category         general_distance_constraints
    _Gen_dist_constraint_list.Sf_framecode        CNS/XPLOR_distance_constraints_4
    _Gen_dist_constraint_list.Entry_ID            rr_1dng
    _Gen_dist_constraint_list.ID                  1
    _Gen_dist_constraint_list.Constraint_type     NOE
    _Gen_dist_constraint_list.Details             "Generated by Wattos"
    _Gen_dist_constraint_list.Constraint_file_ID  1
    _Gen_dist_constraint_list.Block_ID            4

    loop_
       _Gen_dist_constraint_software.Software_ID
       _Gen_dist_constraint_software.Software_label
       _Gen_dist_constraint_software.Method_ID
       _Gen_dist_constraint_software.Method_label
       _Gen_dist_constraint_software.Entry_ID
       _Gen_dist_constraint_software.Gen_dist_constraint_list_ID

       . . . . rr_1dng 1 
    stop_

    loop_
       _Gen_dist_constraint.ID
       _Gen_dist_constraint.Member_ID
       _Gen_dist_constraint.Member_logic_code
       _Gen_dist_constraint.Assembly_atom_ID_1
       _Gen_dist_constraint.Entity_assembly_ID_1
       _Gen_dist_constraint.Entity_ID_1
       _Gen_dist_constraint.Comp_index_ID_1
       _Gen_dist_constraint.Seq_ID_1
       _Gen_dist_constraint.Comp_ID_1
       _Gen_dist_constraint.Atom_ID_1
       _Gen_dist_constraint.Atom_type_1
       _Gen_dist_constraint.Atom_isotope_number_1
       _Gen_dist_constraint.Resonance_ID_1
       _Gen_dist_constraint.Assembly_atom_ID_2
       _Gen_dist_constraint.Entity_assembly_ID_2
       _Gen_dist_constraint.Entity_ID_2
       _Gen_dist_constraint.Comp_index_ID_2
       _Gen_dist_constraint.Seq_ID_2
       _Gen_dist_constraint.Comp_ID_2
       _Gen_dist_constraint.Atom_ID_2
       _Gen_dist_constraint.Atom_type_2
       _Gen_dist_constraint.Atom_isotope_number_2
       _Gen_dist_constraint.Resonance_ID_2
       _Gen_dist_constraint.Intensity_val
       _Gen_dist_constraint.Intensity_lower_val_err
       _Gen_dist_constraint.Intensity_upper_val_err
       _Gen_dist_constraint.Distance_val
       _Gen_dist_constraint.Distance_lower_bound_val
       _Gen_dist_constraint.Distance_upper_bound_val
       _Gen_dist_constraint.Contribution_fractional_val
       _Gen_dist_constraint.Spectral_peak_ID
       _Gen_dist_constraint.Spectral_peak_list_ID
       _Gen_dist_constraint.PDB_record_ID_1
       _Gen_dist_constraint.PDB_model_num_1
       _Gen_dist_constraint.PDB_strand_ID_1
       _Gen_dist_constraint.PDB_ins_code_1
       _Gen_dist_constraint.PDB_residue_no_1
       _Gen_dist_constraint.PDB_residue_name_1
       _Gen_dist_constraint.PDB_atom_name_1
       _Gen_dist_constraint.PDB_record_ID_2
       _Gen_dist_constraint.PDB_model_num_2
       _Gen_dist_constraint.PDB_strand_ID_2
       _Gen_dist_constraint.PDB_ins_code_2
       _Gen_dist_constraint.PDB_residue_no_2
       _Gen_dist_constraint.PDB_residue_name_2
       _Gen_dist_constraint.PDB_atom_name_2
       _Gen_dist_constraint.Auth_entity_assembly_ID_1
       _Gen_dist_constraint.Auth_asym_ID_1
       _Gen_dist_constraint.Auth_chain_ID_1
       _Gen_dist_constraint.Auth_seq_ID_1
       _Gen_dist_constraint.Auth_comp_ID_1
       _Gen_dist_constraint.Auth_atom_ID_1
       _Gen_dist_constraint.Auth_alt_ID_1
       _Gen_dist_constraint.Auth_atom_name_1
       _Gen_dist_constraint.Auth_entity_assembly_ID_2
       _Gen_dist_constraint.Auth_asym_ID_2
       _Gen_dist_constraint.Auth_chain_ID_2
       _Gen_dist_constraint.Auth_seq_ID_2
       _Gen_dist_constraint.Auth_comp_ID_2
       _Gen_dist_constraint.Auth_atom_ID_2
       _Gen_dist_constraint.Auth_alt_ID_2
       _Gen_dist_constraint.Auth_atom_name_2
       _Gen_dist_constraint.Entry_ID
       _Gen_dist_constraint.Gen_dist_constraint_list_ID

         1 1  . . 1 1  1  1 GLN HA  H . . . 1 1  2  2 ALA H   H . . . . . 2.8 1.8  3.1 . . . . . A .  1 GLN HA  . . A .  2 ALA H   . . .  1 . HA  . . . . .  2 . HN  . . rr_1dng 1 
         2 1  . . 1 1  1  1 GLN HA  H . . . 1 1  2  2 ALA HA  H . . . . . 5.0 1.8  5.5 . . . . . A .  1 GLN HA  . . A .  2 ALA HA  . . .  1 . HA  . . . . .  2 . HA  . . rr_1dng 1 
         3 1  . . 1 1  2  2 ALA H   H . . . 1 1  1  1 GLN HB3 H . . . . . 6.0 1.8  6.4 . . . . . A .  1 GLN HB3 . . A .  2 ALA H   . . .  1 . HB1 . . . . .  2 . HN  . . rr_1dng 1 
         4 1  . . 1 1  2  2 ALA H   H . . . 1 1  1  1 GLN HB2 H . . . . . 6.0 1.8  6.5 . . . . . A .  1 GLN HB2 . . A .  2 ALA H   . . .  1 . HB2 . . . . .  2 . HN  . . rr_1dng 1 
         5 1 OR . 1 1  2  2 ALA H   H . . . 1 1  1  1 GLN HG2 H . . . . . 6.0 1.8  7.5 . . . . . A .  1 GLN HG2 . . A .  2 ALA H   . . .  1 . HG# . . . . .  2 . HN  . . rr_1dng 1 
         5 2 OR . 1 1  2  2 ALA H   H . . . 1 1  1  1 GLN HG3 H . . . . . 6.0 1.8  7.5 . . . . . A .  1 GLN HG3 . . A .  2 ALA H   . . .  1 . HG# . . . . .  2 . HN  . . rr_1dng 1 
         6 1  . . 1 1  2  2 ALA H   H . . . 1 1  3  3 PRO HD3 H . . . . . 6.0 1.8  6.5 . . . . . A .  2 ALA H   . . A .  3 PRO HD3 . . .  2 . HN  . . . . .  3 . HD1 . . rr_1dng 1 
         7 1  . . 1 1  2  2 ALA H   H . . . 1 1  3  3 PRO HD2 H . . . . . 6.0 1.8  6.5 . . . . . A .  2 ALA H   . . A .  3 PRO HD2 . . .  2 . HN  . . . . .  3 . HD2 . . rr_1dng 1 
         8 1  . . 1 1  2  2 ALA HA  H . . . 1 1  3  3 PRO HB3 H . . . . . 6.0 1.8  6.5 . . . . . A .  2 ALA HA  . . A .  3 PRO HB3 . . .  2 . HA  . . . . .  3 . HB1 . . rr_1dng 1 
         9 1  . . 1 1  2  2 ALA HA  H . . . 1 1  3  3 PRO HB2 H . . . . . 6.0 1.8  6.5 . . . . . A .  2 ALA HA  . . A .  3 PRO HB2 . . .  2 . HA  . . . . .  3 . HB2 . . rr_1dng 1 
        10 1 OR . 1 1  2  2 ALA HA  H . . . 1 1  3  3 PRO HG2 H . . . . . 6.0 1.8  7.4 . . . . . A .  2 ALA HA  . . A .  3 PRO HG2 . . .  2 . HA  . . . . .  3 . HG# . . rr_1dng 1 
        10 2 OR . 1 1  2  2 ALA HA  H . . . 1 1  3  3 PRO HG3 H . . . . . 6.0 1.8  7.4 . . . . . A .  2 ALA HA  . . A .  3 PRO HG3 . . .  2 . HA  . . . . .  3 . HG# . . rr_1dng 1 
        11 1  . . 1 1  2  2 ALA HA  H . . . 1 1  3  3 PRO HD3 H . . . . . 6.0 1.8  6.3 . . . . . A .  2 ALA HA  . . A .  3 PRO HD3 . . .  2 . HA  . . . . .  3 . HD1 . . rr_1dng 1 
        12 1  . . 1 1  2  2 ALA HA  H . . . 1 1  3  3 PRO HD2 H . . . . . 6.0 1.8  6.3 . . . . . A .  2 ALA HA  . . A .  3 PRO HD2 . . .  2 . HA  . . . . .  3 . HD2 . . rr_1dng 1 
        13 1  . . 1 1  2  2 ALA MB  H . . . 1 1  3  3 PRO HA  H . . . . . 6.0 1.8  7.5 . . . . . A .  2 ALA MB  . . A .  3 PRO HA  . . .  2 . HB# . . . . .  3 . HA  . . rr_1dng 1 
        14 1 OR . 1 1  2  2 ALA MB  H . . . 1 1  3  3 PRO HG2 H . . . . . 6.0 1.8  8.4 . . . . . A .  2 ALA MB  . . A .  3 PRO HG2 . . .  2 . HB# . . . . .  3 . HG# . . rr_1dng 1 
        14 2 OR . 1 1  3  3 PRO HG3 H . . . 1 1  2  2 ALA MB  H . . . . . 6.0 1.8  8.4 . . . . . A .  2 ALA MB  . . A .  3 PRO HG3 . . .  2 . HB# . . . . .  3 . HG# . . rr_1dng 1 
        15 1  . . 1 1  3  3 PRO HD3 H . . . 1 1  2  2 ALA MB  H . . . . . 6.0 1.8  7.4 . . . . . A .  2 ALA MB  . . A .  3 PRO HD3 . . .  2 . HB# . . . . .  3 . HD1 . . rr_1dng 1 
        16 1  . . 1 1  3  3 PRO HD2 H . . . 1 1  2  2 ALA MB  H . . . . . 6.0 1.8  7.3 . . . . . A .  2 ALA MB  . . A .  3 PRO HD2 . . .  2 . HB# . . . . .  3 . HD2 . . rr_1dng 1 
        17 1  . . 1 1  2  2 ALA HA  H . . . 1 1  4  4 ALA H   H . . . . . 5.0 1.8  5.3 . . . . . A .  2 ALA HA  . . A .  4 ALA H   . . .  2 . HA  . . . . .  4 . HN  . . rr_1dng 1 
        18 1  . . 1 1  2  2 ALA HA  H . . . 1 1  5  5 TYR H   H . . . . . 3.9 1.8  4.3 . . . . . A .  2 ALA HA  . . A .  5 TYR H   . . .  2 . HA  . . . . .  5 . HN  . . rr_1dng 1 
        19 1 OR . 1 1  2  2 ALA HA  H . . . 1 1  5  5 TYR HB2 H . . . . . 6.0 1.8  7.5 . . . . . A .  2 ALA HA  . . A .  5 TYR HB2 . . .  2 . HA  . . . . .  5 . HB# . . rr_1dng 1 
        19 2 OR . 1 1  2  2 ALA HA  H . . . 1 1  5  5 TYR HB3 H . . . . . 6.0 1.8  7.5 . . . . . A .  2 ALA HA  . . A .  5 TYR HB3 . . .  2 . HA  . . . . .  5 . HB# . . rr_1dng 1 
        20 1  . . 1 1  2  2 ALA HA  H . . . 1 1  5  5 TYR QD  H . . . . . 6.0 1.8  8.5 . . . . . A .  2 ALA HA  . . A .  5 TYR QD  . . .  2 . HA  . . . . .  5 . HD* . . rr_1dng 1 
        21 1 OR . 1 1  2  2 ALA MB  H . . . 1 1  5  5 TYR HB2 H . . . . . 6.0 1.8  8.4 . . . . . A .  2 ALA MB  . . A .  5 TYR HB2 . . .  2 . HB# . . . . .  5 . HB# . . rr_1dng 1 
        21 2 OR . 1 1  2  2 ALA MB  H . . . 1 1  5  5 TYR HB3 H . . . . . 6.0 1.8  8.4 . . . . . A .  2 ALA MB  . . A .  5 TYR HB3 . . .  2 . HB# . . . . .  5 . HB# . . rr_1dng 1 
        22 1  . . 1 1  2  2 ALA MB  H . . . 1 1  5  5 TYR QD  H . . . . . 6.0 1.8  9.5 . . . . . A .  2 ALA MB  . . A .  5 TYR QD  . . .  2 . HB# . . . . .  5 . HD* . . rr_1dng 1 
        23 1  . . 1 1  2  2 ALA MB  H . . . 1 1  5  5 TYR QE  H . . . . . 6.0 1.8  9.5 . . . . . A .  2 ALA MB  . . A .  5 TYR QE  . . .  2 . HB# . . . . .  5 . HE* . . rr_1dng 1 
        24 1 OR . 1 1  2  2 ALA HA  H . . . 1 1  6  6 GLU HG2 H . . . . . 5.0 1.8  6.5 . . . . . A .  2 ALA HA  . . A .  6 GLU HG2 . . .  2 . HA  . . . . .  6 . HG# . . rr_1dng 1 
        24 2 OR . 1 1  2  2 ALA HA  H . . . 1 1  6  6 GLU HG3 H . . . . . 5.0 1.8  6.5 . . . . . A .  2 ALA HA  . . A .  6 GLU HG3 . . .  2 . HA  . . . . .  6 . HG# . . rr_1dng 1 
        25 1  . . 1 1  3  3 PRO HA  H . . . 1 1  4  4 ALA H   H . . . . . 2.8 1.8  3.1 . . . . . A .  3 PRO HA  . . A .  4 ALA H   . . .  3 . HA  . . . . .  4 . HN  . . rr_1dng 1 
        26 1  . . 1 1  3  3 PRO HB3 H . . . 1 1  4  4 ALA H   H . . . . . 6.0 1.8  6.4 . . . . . A .  3 PRO HB3 . . A .  4 ALA H   . . .  3 . HB1 . . . . .  4 . HN  . . rr_1dng 1 
        27 1  . . 1 1  3  3 PRO HB2 H . . . 1 1  4  4 ALA H   H . . . . . 6.0 1.8  6.4 . . . . . A .  3 PRO HB2 . . A .  4 ALA H   . . .  3 . HB2 . . . . .  4 . HN  . . rr_1dng 1 
        28 1 OR . 1 1  4  4 ALA H   H . . . 1 1  3  3 PRO HG2 H . . . . . 6.0 1.8  7.4 . . . . . A .  3 PRO HG2 . . A .  4 ALA H   . . .  3 . HG# . . . . .  4 . HN  . . rr_1dng 1 
        28 2 OR . 1 1  3  3 PRO HG3 H . . . 1 1  4  4 ALA H   H . . . . . 6.0 1.8  7.4 . . . . . A .  3 PRO HG3 . . A .  4 ALA H   . . .  3 . HG# . . . . .  4 . HN  . . rr_1dng 1 
        29 1  . . 1 1  3  3 PRO HD3 H . . . 1 1  4  4 ALA H   H . . . . . 6.0 1.8  6.5 . . . . . A .  3 PRO HD3 . . A .  4 ALA H   . . .  3 . HD1 . . . . .  4 . HN  . . rr_1dng 1 
        30 1  . . 1 1  3  3 PRO HD2 H . . . 1 1  4  4 ALA H   H . . . . . 6.0 1.8  6.5 . . . . . A .  3 PRO HD2 . . A .  4 ALA H   . . .  3 . HD2 . . . . .  4 . HN  . . rr_1dng 1 
        31 1  . . 1 1  3  3 PRO HB3 H . . . 1 1  5  5 TYR QD  H . . . . . 6.0 1.8  8.5 . . . . . A .  3 PRO HB3 . . A .  5 TYR QD  . . .  3 . HB1 . . . . .  5 . HD* . . rr_1dng 1 
        32 1 OR . 1 1  3  3 PRO HB2 H . . . 1 1  5  5 TYR HB2 H . . . . . 6.0 1.8  7.5 . . . . . A .  3 PRO HB2 . . A .  5 TYR HB2 . . .  3 . HB2 . . . . .  5 . HB# . . rr_1dng 1 
        32 2 OR . 1 1  3  3 PRO HB2 H . . . 1 1  5  5 TYR HB3 H . . . . . 6.0 1.8  7.5 . . . . . A .  3 PRO HB2 . . A .  5 TYR HB3 . . .  3 . HB2 . . . . .  5 . HB# . . rr_1dng 1 
        33 1  . . 1 1  3  3 PRO HB2 H . . . 1 1  5  5 TYR QD  H . . . . . 6.0 1.8  8.5 . . . . . A .  3 PRO HB2 . . A .  5 TYR QD  . . .  3 . HB2 . . . . .  5 . HD* . . rr_1dng 1 
        34 1  . . 1 1  3  3 PRO HB2 H . . . 1 1  5  5 TYR QE  H . . . . . 6.0 1.8  8.5 . . . . . A .  3 PRO HB2 . . A .  5 TYR QE  . . .  3 . HB2 . . . . .  5 . HE* . . rr_1dng 1 
        35 1  . . 1 1  3  3 PRO HB2 H . . . 1 1  6  6 GLU H   H . . . . . 6.0 1.8  6.5 . . . . . A .  3 PRO HB2 . . A .  6 GLU H   . . .  3 . HB2 . . . . .  6 . HN  . . rr_1dng 1 
        36 1  . . 1 1  4  4 ALA H   H . . . 1 1  5  5 TYR H   H . . . . . 2.8 1.8  3.1 . . . . . A .  4 ALA H   . . A .  5 TYR H   . . .  4 . HN  . . . . .  5 . HN  . . rr_1dng 1 
        37 1 OR . 1 1  4  4 ALA HA  H . . . 1 1  5  5 TYR HB2 H . . . . . 6.0 1.8  7.4 . . . . . A .  4 ALA HA  . . A .  5 TYR HB2 . . .  4 . HA  . . . . .  5 . HB# . . rr_1dng 1 
        37 2 OR . 1 1  5  5 TYR HB3 H . . . 1 1  4  4 ALA HA  H . . . . . 6.0 1.8  7.4 . . . . . A .  4 ALA HA  . . A .  5 TYR HB3 . . .  4 . HA  . . . . .  5 . HB# . . rr_1dng 1 
        38 1  . . 1 1  5  5 TYR QD  H . . . 1 1  4  4 ALA HA  H . . . . . 6.0 1.8  8.5 . . . . . A .  4 ALA HA  . . A .  5 TYR QD  . . .  4 . HA  . . . . .  5 . HD* . . rr_1dng 1 
        39 1  . . 1 1  5  5 TYR H   H . . . 1 1  4  4 ALA MB  H . . . . . 6.0 1.8  7.3 . . . . . A .  4 ALA MB  . . A .  5 TYR H   . . .  4 . HB# . . . . .  5 . HN  . . rr_1dng 1 
        40 1  . . 1 1  6  6 GLU H   H . . . 1 1  4  4 ALA HA  H . . . . . 5.0 1.8  5.5 . . . . . A .  4 ALA HA  . . A .  6 GLU H   . . .  4 . HA  . . . . .  6 . HN  . . rr_1dng 1 
        41 1  . . 1 1  6  6 GLU H   H . . . 1 1  4  4 ALA MB  H . . . . . 6.0 1.8  7.4 . . . . . A .  4 ALA MB  . . A .  6 GLU H   . . .  4 . HB# . . . . .  6 . HN  . . rr_1dng 1 
        42 1  . . 1 1  4  4 ALA HA  H . . . 1 1  7  7 GLU H   H . . . . . 3.9 1.8  4.3 . . . . . A .  4 ALA HA  . . A .  7 GLU H   . . .  4 . HA  . . . . .  7 . HN  . . rr_1dng 1 
        43 1 OR . 1 1  4  4 ALA HA  H . . . 1 1  7  7 GLU HB2 H . . . . . 3.9 1.8  5.3 . . . . . A .  4 ALA HA  . . A .  7 GLU HB2 . . .  4 . HA  . . . . .  7 . HB# . . rr_1dng 1 
        43 2 OR . 1 1  4  4 ALA HA  H . . . 1 1  7  7 GLU HB3 H . . . . . 3.9 1.8  5.3 . . . . . A .  4 ALA HA  . . A .  7 GLU HB3 . . .  4 . HA  . . . . .  7 . HB# . . rr_1dng 1 
        44 1  . . 1 1  4  4 ALA HA  H . . . 1 1  8  8 ALA H   H . . . . . 5.0 1.8  5.5 . . . . . A .  4 ALA HA  . . A .  8 ALA H   . . .  4 . HA  . . . . .  8 . HN  . . rr_1dng 1 
        45 1  . . 1 1  5  5 TYR H   H . . . 1 1  6  6 GLU H   H . . . . . 2.8 1.8  3.1 . . . . . A .  5 TYR H   . . A .  6 GLU H   . . .  5 . HN  . . . . .  6 . HN  . . rr_1dng 1 
        46 1  . . 1 1  6  6 GLU H   H . . . 1 1  5  5 TYR HA  H . . . . . 2.8 1.8  3.1 . . . . . A .  5 TYR HA  . . A .  6 GLU H   . . .  5 . HA  . . . . .  6 . HN  . . rr_1dng 1 
        47 1 OR . 1 1  5  5 TYR HA  H . . . 1 1  6  6 GLU HB2 H . . . . . 5.0 0.8  6.4 . . . . . A .  5 TYR HA  . . A .  6 GLU HB2 . . .  5 . HA  . . . . .  6 . HB# . . rr_1dng 1 
        47 2 OR . 1 1  5  5 TYR HA  H . . . 1 1  6  6 GLU HB3 H . . . . . 5.0 0.8  6.4 . . . . . A .  5 TYR HA  . . A .  6 GLU HB3 . . .  5 . HA  . . . . .  6 . HB# . . rr_1dng 1 
        48 1 OR . 1 1  6  6 GLU H   H . . . 1 1  5  5 TYR HB2 H . . . . . 2.8 1.8  4.1 . . . . . A .  5 TYR HB2 . . A .  6 GLU H   . . .  5 . HB# . . . . .  6 . HN  . . rr_1dng 1 
        48 2 OR . 1 1  5  5 TYR HB3 H . . . 1 1  6  6 GLU H   H . . . . . 2.8 1.8  4.1 . . . . . A .  5 TYR HB3 . . A .  6 GLU H   . . .  5 . HB# . . . . .  6 . HN  . . rr_1dng 1 
        49 1 OR . 1 1  6  6 GLU HA  H . . . 1 1  5  5 TYR HB2 H . . . . . 5.0 1.8  6.5 . . . . . A .  5 TYR HB2 . . A .  6 GLU HA  . . .  5 . HB# . . . . .  6 . HA  . . rr_1dng 1 
        49 2 OR . 1 1  5  5 TYR HB3 H . . . 1 1  6  6 GLU HA  H . . . . . 5.0 1.8  6.5 . . . . . A .  5 TYR HB3 . . A .  6 GLU HA  . . .  5 . HB# . . . . .  6 . HA  . . rr_1dng 1 
        50 1 OR . 1 1  5  5 TYR HB2 H . . . 1 1  6  6 GLU HB2 H . . . . . 5.0 1.8  7.5 . . . . . A .  5 TYR HB2 . . A .  6 GLU HB2 . . .  5 . HB# . . . . .  6 . HB# . . rr_1dng 1 
        50 2 OR . 1 1  5  5 TYR HB3 H . . . 1 1  6  6 GLU HB2 H . . . . . 5.0 1.8  7.5 . . . . . A .  5 TYR HB3 . . A .  6 GLU HB2 . . .  5 . HB# . . . . .  6 . HB# . . rr_1dng 1 
        50 3 OR . 1 1  6  6 GLU HB3 H . . . 1 1  5  5 TYR HB2 H . . . . . 5.0 1.8  7.5 . . . . . A .  5 TYR HB2 . . A .  6 GLU HB3 . . .  5 . HB# . . . . .  6 . HB# . . rr_1dng 1 
        50 4 OR . 1 1  5  5 TYR HB3 H . . . 1 1  6  6 GLU HB3 H . . . . . 5.0 1.8  7.5 . . . . . A .  5 TYR HB3 . . A .  6 GLU HB3 . . .  5 . HB# . . . . .  6 . HB# . . rr_1dng 1 
        51 1 OR . 1 1  5  5 TYR HB2 H . . . 1 1  6  6 GLU HG2 H . . . . . 5.0 1.8  7.5 . . . . . A .  5 TYR HB2 . . A .  6 GLU HG2 . . .  5 . HB# . . . . .  6 . HG# . . rr_1dng 1 
        51 2 OR . 1 1  5  5 TYR HB3 H . . . 1 1  6  6 GLU HG2 H . . . . . 5.0 1.8  7.5 . . . . . A .  5 TYR HB3 . . A .  6 GLU HG2 . . .  5 . HB# . . . . .  6 . HG# . . rr_1dng 1 
        51 3 OR . 1 1  6  6 GLU HG3 H . . . 1 1  5  5 TYR HB2 H . . . . . 5.0 1.8  7.5 . . . . . A .  5 TYR HB2 . . A .  6 GLU HG3 . . .  5 . HB# . . . . .  6 . HG# . . rr_1dng 1 
        51 4 OR . 1 1  5  5 TYR HB3 H . . . 1 1  6  6 GLU HG3 H . . . . . 5.0 1.8  7.5 . . . . . A .  5 TYR HB3 . . A .  6 GLU HG3 . . .  5 . HB# . . . . .  6 . HG# . . rr_1dng 1 
        52 1  . . 1 1  5  5 TYR QD  H . . . 1 1  6  6 GLU H   H . . . . . 6.0 1.8  8.4 . . . . . A .  5 TYR QD  . . A .  6 GLU H   . . .  5 . HD* . . . . .  6 . HN  . . rr_1dng 1 
        53 1  . . 1 1  5  5 TYR QD  H . . . 1 1  6  6 GLU HA  H . . . . . 6.0 1.8  8.4 . . . . . A .  5 TYR QD  . . A .  6 GLU HA  . . .  5 . HD* . . . . .  6 . HA  . . rr_1dng 1 
        54 1  . . 1 1  5  5 TYR QE  H . . . 1 1  6  6 GLU HA  H . . . . . 6.0 1.8  8.5 . . . . . A .  5 TYR QE  . . A .  6 GLU HA  . . .  5 . HE* . . . . .  6 . HA  . . rr_1dng 1 
        55 1 OR . 1 1  7  7 GLU H   H . . . 1 1  5  5 TYR HB2 H . . . . . 5.0 1.8  6.5 . . . . . A .  5 TYR HB2 . . A .  7 GLU H   . . .  5 . HB# . . . . .  7 . HN  . . rr_1dng 1 
        55 2 OR . 1 1  5  5 TYR HB3 H . . . 1 1  7  7 GLU H   H . . . . . 5.0 1.8  6.5 . . . . . A .  5 TYR HB3 . . A .  7 GLU H   . . .  5 . HB# . . . . .  7 . HN  . . rr_1dng 1 
        56 1  . . 1 1  5  5 TYR QD  H . . . 1 1  7  7 GLU H   H . . . . . 6.0 1.8  8.5 . . . . . A .  5 TYR QD  . . A .  7 GLU H   . . .  5 . HD* . . . . .  7 . HN  . . rr_1dng 1 
        57 1 OR . 1 1  5  5 TYR QD  H . . . 1 1  7  7 GLU HB2 H . . . . . 6.0 1.8  9.5 . . . . . A .  5 TYR QD  . . A .  7 GLU HB2 . . .  5 . HD* . . . . .  7 . HB# . . rr_1dng 1 
        57 2 OR . 1 1  5  5 TYR QD  H . . . 1 1  7  7 GLU HB3 H . . . . . 6.0 1.8  9.5 . . . . . A .  5 TYR QD  . . A .  7 GLU HB3 . . .  5 . HD* . . . . .  7 . HB# . . rr_1dng 1 
        58 1  . . 1 1  5  5 TYR QE  H . . . 1 1  7  7 GLU HA  H . . . . . 6.0 1.8  8.5 . . . . . A .  5 TYR QE  . . A .  7 GLU HA  . . .  5 . HE* . . . . .  7 . HA  . . rr_1dng 1 
        59 1 OR . 1 1  5  5 TYR QE  H . . . 1 1  7  7 GLU HB2 H . . . . . 6.0 1.8  9.5 . . . . . A .  5 TYR QE  . . A .  7 GLU HB2 . . .  5 . HE* . . . . .  7 . HB# . . rr_1dng 1 
        59 2 OR . 1 1  5  5 TYR QE  H . . . 1 1  7  7 GLU HB3 H . . . . . 6.0 1.8  9.5 . . . . . A .  5 TYR QE  . . A .  7 GLU HB3 . . .  5 . HE* . . . . .  7 . HB# . . rr_1dng 1 
        60 1  . . 1 1  8  8 ALA H   H . . . 1 1  5  5 TYR HA  H . . . . . 3.9 1.8  4.3 . . . . . A .  5 TYR HA  . . A .  8 ALA H   . . .  5 . HA  . . . . .  8 . HN  . . rr_1dng 1 
        61 1  . . 1 1  5  5 TYR HA  H . . . 1 1  8  8 ALA MB  H . . . . . 2.8 1.8  4.1 . . . . . A .  5 TYR HA  . . A .  8 ALA MB  . . .  5 . HA  . . . . .  8 . HB# . . rr_1dng 1 
        62 1 OR . 1 1  8  8 ALA H   H . . . 1 1  5  5 TYR HB2 H . . . . . 5.0 1.8  6.5 . . . . . A .  5 TYR HB2 . . A .  8 ALA H   . . .  5 . HB# . . . . .  8 . HN  . . rr_1dng 1 
        62 2 OR . 1 1  5  5 TYR HB3 H . . . 1 1  8  8 ALA H   H . . . . . 5.0 1.8  6.5 . . . . . A .  5 TYR HB3 . . A .  8 ALA H   . . .  5 . HB# . . . . .  8 . HN  . . rr_1dng 1 
        63 1  . . 1 1  5  5 TYR QD  H . . . 1 1  8  8 ALA H   H . . . . . 6.0 1.8  8.5 . . . . . A .  5 TYR QD  . . A .  8 ALA H   . . .  5 . HD* . . . . .  8 . HN  . . rr_1dng 1 
        64 1  . . 1 1  5  5 TYR QE  H . . . 1 1  8  8 ALA H   H . . . . . 6.0 1.8  8.5 . . . . . A .  5 TYR QE  . . A .  8 ALA H   . . .  5 . HE* . . . . .  8 . HN  . . rr_1dng 1 
        65 1  . . 1 1  6  6 GLU H   H . . . 1 1  7  7 GLU H   H . . . . . 2.8 1.8  3.1 . . . . . A .  6 GLU H   . . A .  7 GLU H   . . .  6 . HN  . . . . .  7 . HN  . . rr_1dng 1 
        66 1  . . 1 1  7  7 GLU H   H . . . 1 1  6  6 GLU HA  H . . . . . 2.8 1.8  3.1 . . . . . A .  6 GLU HA  . . A .  7 GLU H   . . .  6 . HA  . . . . .  7 . HN  . . rr_1dng 1 
        67 1 OR . 1 1  7  7 GLU H   H . . . 1 1  6  6 GLU HB2 H . . . . . 3.9 1.8  5.3 . . . . . A .  6 GLU HB2 . . A .  7 GLU H   . . .  6 . HB# . . . . .  7 . HN  . . rr_1dng 1 
        67 2 OR . 1 1  7  7 GLU H   H . . . 1 1  6  6 GLU HB3 H . . . . . 3.9 1.8  5.3 . . . . . A .  6 GLU HB3 . . A .  7 GLU H   . . .  6 . HB# . . . . .  7 . HN  . . rr_1dng 1 
        68 1 OR . 1 1  7  7 GLU H   H . . . 1 1  6  6 GLU HG2 H . . . . . 3.9 1.8  5.3 . . . . . A .  6 GLU HG2 . . A .  7 GLU H   . . .  6 . HG# . . . . .  7 . HN  . . rr_1dng 1 
        68 2 OR . 1 1  6  6 GLU HG3 H . . . 1 1  7  7 GLU H   H . . . . . 3.9 1.8  5.3 . . . . . A .  6 GLU HG3 . . A .  7 GLU H   . . .  6 . HG# . . . . .  7 . HN  . . rr_1dng 1 
        69 1  . . 1 1  6  6 GLU H   H . . . 1 1  8  8 ALA H   H . . . . . 3.9 1.8  4.3 . . . . . A .  6 GLU H   . . A .  8 ALA H   . . .  6 . HN  . . . . .  8 . HN  . . rr_1dng 1 
        70 1 OR . 1 1  8  8 ALA H   H . . . 1 1  6  6 GLU HB2 H . . . . . 5.0 1.8  6.5 . . . . . A .  6 GLU HB2 . . A .  8 ALA H   . . .  6 . HB# . . . . .  8 . HN  . . rr_1dng 1 
        70 2 OR . 1 1  8  8 ALA H   H . . . 1 1  6  6 GLU HB3 H . . . . . 5.0 1.8  6.5 . . . . . A .  6 GLU HB3 . . A .  8 ALA H   . . .  6 . HB# . . . . .  8 . HN  . . rr_1dng 1 
        71 1  . . 1 1  6  6 GLU HA  H . . . 1 1  9  9 ALA H   H . . . . . 3.9 1.8  4.3 . . . . . A .  6 GLU HA  . . A .  9 ALA H   . . .  6 . HA  . . . . .  9 . HN  . . rr_1dng 1 
        72 1  . . 1 1  6  6 GLU HA  H . . . 1 1  9  9 ALA MB  H . . . . . 2.8 1.8  4.1 . . . . . A .  6 GLU HA  . . A .  9 ALA MB  . . .  6 . HA  . . . . .  9 . HB# . . rr_1dng 1 
        73 1 OR . 1 1  9  9 ALA H   H . . . 1 1  6  6 GLU HB2 H . . . . . 3.9 1.8  5.3 . . . . . A .  6 GLU HB2 . . A .  9 ALA H   . . .  6 . HB# . . . . .  9 . HN  . . rr_1dng 1 
        73 2 OR . 1 1  6  6 GLU HB3 H . . . 1 1  9  9 ALA H   H . . . . . 3.9 1.8  5.3 . . . . . A .  6 GLU HB3 . . A .  9 ALA H   . . .  6 . HB# . . . . .  9 . HN  . . rr_1dng 1 
        74 1  . . 1 1  7  7 GLU H   H . . . 1 1  8  8 ALA H   H . . . . . 2.8 1.8  3.1 . . . . . A .  7 GLU H   . . A .  8 ALA H   . . .  7 . HN  . . . . .  8 . HN  . . rr_1dng 1 
        75 1  . . 1 1  8  8 ALA H   H . . . 1 1  7  7 GLU HA  H . . . . . 2.8 1.8  3.1 . . . . . A .  7 GLU HA  . . A .  8 ALA H   . . .  7 . HA  . . . . .  8 . HN  . . rr_1dng 1 
        76 1 OR . 1 1  8  8 ALA H   H . . . 1 1  7  7 GLU HB2 H . . . . . 2.8 1.8  4.1 . . . . . A .  7 GLU HB2 . . A .  8 ALA H   . . .  7 . HB# . . . . .  8 . HN  . . rr_1dng 1 
        76 2 OR . 1 1  7  7 GLU HB3 H . . . 1 1  8  8 ALA H   H . . . . . 2.8 1.8  4.1 . . . . . A .  7 GLU HB3 . . A .  8 ALA H   . . .  7 . HB# . . . . .  8 . HN  . . rr_1dng 1 
        77 1 OR . 1 1  8  8 ALA H   H . . . 1 1  7  7 GLU HG2 H . . . . . 3.9 1.8  5.3 . . . . . A .  7 GLU HG2 . . A .  8 ALA H   . . .  7 . HG# . . . . .  8 . HN  . . rr_1dng 1 
        77 2 OR . 1 1  8  8 ALA H   H . . . 1 1  7  7 GLU HG3 H . . . . . 3.9 1.8  5.3 . . . . . A .  7 GLU HG3 . . A .  8 ALA H   . . .  7 . HG# . . . . .  8 . HN  . . rr_1dng 1 
        78 1 OR . 1 1  9  9 ALA H   H . . . 1 1  7  7 GLU HB2 H . . . . . 3.9 1.8  5.3 . . . . . A .  7 GLU HB2 . . A .  9 ALA H   . . .  7 . HB# . . . . .  9 . HN  . . rr_1dng 1 
        78 2 OR . 1 1  7  7 GLU HB3 H . . . 1 1  9  9 ALA H   H . . . . . 3.9 1.8  5.3 . . . . . A .  7 GLU HB3 . . A .  9 ALA H   . . .  7 . HB# . . . . .  9 . HN  . . rr_1dng 1 
        79 1 OR . 1 1  9  9 ALA H   H . . . 1 1  7  7 GLU HG2 H . . . . . 3.9 1.8  5.3 . . . . . A .  7 GLU HG2 . . A .  9 ALA H   . . .  7 . HG# . . . . .  9 . HN  . . rr_1dng 1 
        79 2 OR . 1 1  9  9 ALA H   H . . . 1 1  7  7 GLU HG3 H . . . . . 3.9 1.8  5.3 . . . . . A .  7 GLU HG3 . . A .  9 ALA H   . . .  7 . HG# . . . . .  9 . HN  . . rr_1dng 1 
        80 1  . . 1 1  7  7 GLU HA  H . . . 1 1 10 10 GLU H   H . . . . . 3.9 1.8  4.3 . . . . . A .  7 GLU HA  . . A . 10 GLU H   . . .  7 . HA  . . . . . 10 . HN  . . rr_1dng 1 
        81 1 OR . 1 1  7  7 GLU HA  H . . . 1 1 10 10 GLU HB2 H . . . . . 3.9 1.8  5.3 . . . . . A .  7 GLU HA  . . A . 10 GLU HB2 . . .  7 . HA  . . . . . 10 . HB# . . rr_1dng 1 
        81 2 OR . 1 1  7  7 GLU HA  H . . . 1 1 10 10 GLU HB3 H . . . . . 3.9 1.8  5.3 . . . . . A .  7 GLU HA  . . A . 10 GLU HB3 . . .  7 . HA  . . . . . 10 . HB# . . rr_1dng 1 
        82 1  . . 1 1  7  7 GLU HA  H . . . 1 1 10 10 GLU HG3 H . . . . . 5.0 1.8  5.5 . . . . . A .  7 GLU HA  . . A . 10 GLU HG3 . . .  7 . HA  . . . . . 10 . HG1 . . rr_1dng 1 
        83 1  . . 1 1  8  8 ALA H   H . . . 1 1  9  9 ALA H   H . . . . . 2.8 1.8  3.1 . . . . . A .  8 ALA H   . . A .  9 ALA H   . . .  8 . HN  . . . . .  9 . HN  . . rr_1dng 1 
        84 1  . . 1 1  9  9 ALA H   H . . . 1 1  8  8 ALA HA  H . . . . . 3.9 1.8  4.3 . . . . . A .  8 ALA HA  . . A .  9 ALA H   . . .  8 . HA  . . . . .  9 . HN  . . rr_1dng 1 
        85 1  . . 1 1  8  8 ALA HA  H . . . 1 1 11 11 GLU H   H . . . . . 3.9 1.8  4.3 . . . . . A .  8 ALA HA  . . A . 11 GLU H   . . .  8 . HA  . . . . . 11 . HN  . . rr_1dng 1 
        86 1 OR . 1 1  8  8 ALA HA  H . . . 1 1 11 11 GLU HB2 H . . . . . 2.8 1.8  4.1 . . . . . A .  8 ALA HA  . . A . 11 GLU HB2 . . .  8 . HA  . . . . . 11 . HB# . . rr_1dng 1 
        86 2 OR . 1 1  8  8 ALA HA  H . . . 1 1 11 11 GLU HB3 H . . . . . 2.8 1.8  4.1 . . . . . A .  8 ALA HA  . . A . 11 GLU HB3 . . .  8 . HA  . . . . . 11 . HB# . . rr_1dng 1 
        87 1 OR . 1 1  8  8 ALA HA  H . . . 1 1 11 11 GLU HG2 H . . . . . 3.9 1.8  5.3 . . . . . A .  8 ALA HA  . . A . 11 GLU HG2 . . .  8 . HA  . . . . . 11 . HG# . . rr_1dng 1 
        87 2 OR . 1 1  8  8 ALA HA  H . . . 1 1 11 11 GLU HG3 H . . . . . 3.9 1.8  5.3 . . . . . A .  8 ALA HA  . . A . 11 GLU HG3 . . .  8 . HA  . . . . . 11 . HG# . . rr_1dng 1 
        88 1  . . 1 1  8  8 ALA HA  H . . . 1 1 12 12 LEU H   H . . . . . 3.9 1.8  4.3 . . . . . A .  8 ALA HA  . . A . 12 LEU H   . . .  8 . HA  . . . . . 12 . HN  . . rr_1dng 1 
        89 1  . . 1 1  9  9 ALA H   H . . . 1 1 10 10 GLU H   H . . . . . 2.8 1.8  3.1 . . . . . A .  9 ALA H   . . A . 10 GLU H   . . .  9 . HN  . . . . . 10 . HN  . . rr_1dng 1 
        90 1 OR . 1 1  9  9 ALA MB  H . . . 1 1 10 10 GLU HB2 H . . . . . 3.9 1.8  6.3 . . . . . A .  9 ALA MB  . . A . 10 GLU HB2 . . .  9 . HB# . . . . . 10 . HB# . . rr_1dng 1 
        90 2 OR . 1 1  9  9 ALA MB  H . . . 1 1 10 10 GLU HB3 H . . . . . 3.9 1.8  6.3 . . . . . A .  9 ALA MB  . . A . 10 GLU HB3 . . .  9 . HB# . . . . . 10 . HB# . . rr_1dng 1 
        91 1  . . 1 1  9  9 ALA H   H . . . 1 1 11 11 GLU H   H . . . . . 3.9 1.8  4.3 . . . . . A .  9 ALA H   . . A . 11 GLU H   . . .  9 . HN  . . . . . 11 . HN  . . rr_1dng 1 
        92 1  . . 1 1 12 12 LEU H   H . . . 1 1  9  9 ALA HA  H . . . . . 3.9 1.8  4.3 . . . . . A .  9 ALA HA  . . A . 12 LEU H   . . .  9 . HA  . . . . . 12 . HN  . . rr_1dng 1 
        93 1  . . 1 1  9  9 ALA HA  H . . . 1 1 12 12 LEU HB3 H . . . . . 3.9 1.8  4.3 . . . . . A .  9 ALA HA  . . A . 12 LEU HB3 . . .  9 . HA  . . . . . 12 . HB1 . . rr_1dng 1 
        94 1  . . 1 1  9  9 ALA HA  H . . . 1 1 12 12 LEU HB2 H . . . . . 3.9 1.8  4.3 . . . . . A .  9 ALA HA  . . A . 12 LEU HB2 . . .  9 . HA  . . . . . 12 . HB2 . . rr_1dng 1 
        95 1  . . 1 1  9  9 ALA HA  H . . . 1 1 12 12 LEU HG  H . . . . . 3.9 1.8  4.3 . . . . . A .  9 ALA HA  . . A . 12 LEU HG  . . .  9 . HA  . . . . . 12 . HG  . . rr_1dng 1 
        96 1 OR . 1 1  9  9 ALA HA  H . . . 1 1 12 12 LEU MD1 H . . . . . 3.9 1.8  6.7 . . . . . A .  9 ALA HA  . . A . 12 LEU MD1 . . .  9 . HA  . . . . . 12 . HD* . . rr_1dng 1 
        96 2 OR . 1 1  9  9 ALA HA  H . . . 1 1 12 12 LEU MD2 H . . . . . 3.9 1.8  6.7 . . . . . A .  9 ALA HA  . . A . 12 LEU MD2 . . .  9 . HA  . . . . . 12 . HD* . . rr_1dng 1 
        97 1 OR . 1 1  9  9 ALA MB  H . . . 1 1 12 12 LEU MD1 H . . . . . 3.9 1.8  7.7 . . . . . A .  9 ALA MB  . . A . 12 LEU MD1 . . .  9 . HB# . . . . . 12 . HD* . . rr_1dng 1 
        97 2 OR . 1 1  9  9 ALA MB  H . . . 1 1 12 12 LEU MD2 H . . . . . 3.9 1.8  7.7 . . . . . A .  9 ALA MB  . . A . 12 LEU MD2 . . .  9 . HB# . . . . . 12 . HD* . . rr_1dng 1 
        98 1  . . 1 1 10 10 GLU H   H . . . 1 1 11 11 GLU H   H . . . . . 2.8 1.8  3.1 . . . . . A . 10 GLU H   . . A . 11 GLU H   . . . 10 . HN  . . . . . 11 . HN  . . rr_1dng 1 
        99 1  . . 1 1 11 11 GLU H   H . . . 1 1 10 10 GLU HA  H . . . . . 3.9 1.8  4.3 . . . . . A . 10 GLU HA  . . A . 11 GLU H   . . . 10 . HA  . . . . . 11 . HN  . . rr_1dng 1 
       100 1  . . 1 1 10 10 GLU H   H . . . 1 1 12 12 LEU H   H . . . . . 3.9 1.8  4.3 . . . . . A . 10 GLU H   . . A . 12 LEU H   . . . 10 . HN  . . . . . 12 . HN  . . rr_1dng 1 
       101 1 OR . 1 1 10 10 GLU H   H . . . 1 1 12 12 LEU MD1 H . . . . . 5.0 1.8  7.9 . . . . . A . 10 GLU H   . . A . 12 LEU MD1 . . . 10 . HN  . . . . . 12 . HD* . . rr_1dng 1 
       101 2 OR . 1 1 10 10 GLU H   H . . . 1 1 12 12 LEU MD2 H . . . . . 5.0 1.8  7.9 . . . . . A . 10 GLU H   . . A . 12 LEU MD2 . . . 10 . HN  . . . . . 12 . HD* . . rr_1dng 1 
       102 1  . . 1 1 10 10 GLU H   H . . . 1 1 13 13 ALA MB  H . . . . . 5.0 1.8  6.5 . . . . . A . 10 GLU H   . . A . 13 ALA MB  . . . 10 . HN  . . . . . 13 . HB# . . rr_1dng 1 
       103 1  . . 1 1 10 10 GLU HA  H . . . 1 1 13 13 ALA MB  H . . . . . 3.9 1.8  5.2 . . . . . A . 10 GLU HA  . . A . 13 ALA MB  . . . 10 . HA  . . . . . 13 . HB# . . rr_1dng 1 
       104 1 OR . 1 1 13 13 ALA MB  H . . . 1 1 10 10 GLU HB2 H . . . . . 5.0 1.8  7.5 . . . . . A . 10 GLU HB2 . . A . 13 ALA MB  . . . 10 . HB# . . . . . 13 . HB# . . rr_1dng 1 
       104 2 OR . 1 1 10 10 GLU HB3 H . . . 1 1 13 13 ALA MB  H . . . . . 5.0 1.8  7.5 . . . . . A . 10 GLU HB3 . . A . 13 ALA MB  . . . 10 . HB# . . . . . 13 . HB# . . rr_1dng 1 
       105 1  . . 1 1 11 11 GLU H   H . . . 1 1 12 12 LEU H   H . . . . . 2.8 1.8  3.1 . . . . . A . 11 GLU H   . . A . 12 LEU H   . . . 11 . HN  . . . . . 12 . HN  . . rr_1dng 1 
       106 1  . . 1 1 11 11 GLU H   H . . . 1 1 12 12 LEU HB3 H . . . . . 5.0 1.8  5.5 . . . . . A . 11 GLU H   . . A . 12 LEU HB3 . . . 11 . HN  . . . . . 12 . HB1 . . rr_1dng 1 
       107 1  . . 1 1 11 11 GLU H   H . . . 1 1 12 12 LEU HG  H . . . . . 5.0 1.8  5.5 . . . . . A . 11 GLU H   . . A . 12 LEU HG  . . . 11 . HN  . . . . . 12 . HG  . . rr_1dng 1 
       108 1 OR . 1 1 11 11 GLU H   H . . . 1 1 12 12 LEU MD1 H . . . . . 5.0 1.8  7.9 . . . . . A . 11 GLU H   . . A . 12 LEU MD1 . . . 11 . HN  . . . . . 12 . HD* . . rr_1dng 1 
       108 2 OR . 1 1 11 11 GLU H   H . . . 1 1 12 12 LEU MD2 H . . . . . 5.0 1.8  7.9 . . . . . A . 11 GLU H   . . A . 12 LEU MD2 . . . 11 . HN  . . . . . 12 . HD* . . rr_1dng 1 
       109 1 OR . 1 1 12 12 LEU H   H . . . 1 1 11 11 GLU HB2 H . . . . . 2.8 1.8  4.1 . . . . . A . 11 GLU HB2 . . A . 12 LEU H   . . . 11 . HB# . . . . . 12 . HN  . . rr_1dng 1 
       109 2 OR . 1 1 11 11 GLU HB3 H . . . 1 1 12 12 LEU H   H . . . . . 2.8 1.8  4.1 . . . . . A . 11 GLU HB3 . . A . 12 LEU H   . . . 11 . HB# . . . . . 12 . HN  . . rr_1dng 1 
       110 1 OR . 1 1 11 11 GLU HB3 H . . . 1 1 12 12 LEU MD1 H . . . . . 5.0 1.8  8.9 . . . . . A . 11 GLU HB3 . . A . 12 LEU MD1 . . . 11 . HB# . . . . . 12 . HD* . . rr_1dng 1 
       110 2 OR . 1 1 12 12 LEU MD2 H . . . 1 1 11 11 GLU HB2 H . . . . . 5.0 1.8  8.9 . . . . . A . 11 GLU HB2 . . A . 12 LEU MD2 . . . 11 . HB# . . . . . 12 . HD* . . rr_1dng 1 
       110 3 OR . 1 1 11 11 GLU HB3 H . . . 1 1 12 12 LEU MD2 H . . . . . 5.0 1.8  8.9 . . . . . A . 11 GLU HB3 . . A . 12 LEU MD2 . . . 11 . HB# . . . . . 12 . HD* . . rr_1dng 1 
       110 4 OR . 1 1 11 11 GLU HB2 H . . . 1 1 12 12 LEU MD1 H . . . . . 5.0 1.8  8.9 . . . . . A . 11 GLU HB2 . . A . 12 LEU MD1 . . . 11 . HB# . . . . . 12 . HD* . . rr_1dng 1 
       111 1 OR . 1 1 12 12 LEU H   H . . . 1 1 11 11 GLU HG2 H . . . . . 3.9 1.8  5.3 . . . . . A . 11 GLU HG2 . . A . 12 LEU H   . . . 11 . HG# . . . . . 12 . HN  . . rr_1dng 1 
       111 2 OR . 1 1 11 11 GLU HG3 H . . . 1 1 12 12 LEU H   H . . . . . 3.9 1.8  5.3 . . . . . A . 11 GLU HG3 . . A . 12 LEU H   . . . 11 . HG# . . . . . 12 . HN  . . rr_1dng 1 
       112 1 OR . 1 1 11 11 GLU HG2 H . . . 1 1 12 12 LEU MD1 H . . . . . 5.0 1.8  8.9 . . . . . A . 11 GLU HG2 . . A . 12 LEU MD1 . . . 11 . HG# . . . . . 12 . HD* . . rr_1dng 1 
       112 2 OR . 1 1 11 11 GLU HG3 H . . . 1 1 12 12 LEU MD1 H . . . . . 5.0 1.8  8.9 . . . . . A . 11 GLU HG3 . . A . 12 LEU MD1 . . . 11 . HG# . . . . . 12 . HD* . . rr_1dng 1 
       112 3 OR . 1 1 12 12 LEU MD2 H . . . 1 1 11 11 GLU HG2 H . . . . . 5.0 1.8  8.9 . . . . . A . 11 GLU HG2 . . A . 12 LEU MD2 . . . 11 . HG# . . . . . 12 . HD* . . rr_1dng 1 
       112 4 OR . 1 1 11 11 GLU HG3 H . . . 1 1 12 12 LEU MD2 H . . . . . 5.0 1.8  8.9 . . . . . A . 11 GLU HG3 . . A . 12 LEU MD2 . . . 11 . HG# . . . . . 12 . HD* . . rr_1dng 1 
       113 1  . . 1 1 11 11 GLU H   H . . . 1 1 13 13 ALA H   H . . . . . 3.9 1.8  4.3 . . . . . A . 11 GLU H   . . A . 13 ALA H   . . . 11 . HN  . . . . . 13 . HN  . . rr_1dng 1 
       114 1  . . 1 1 11 11 GLU H   H . . . 1 1 13 13 ALA MB  H . . . . . 5.0 1.8  6.5 . . . . . A . 11 GLU H   . . A . 13 ALA MB  . . . 11 . HN  . . . . . 13 . HB# . . rr_1dng 1 
       115 1 OR . 1 1 11 11 GLU HA  H . . . 1 1 14 14 LYS HB2 H . . . . . 3.9 1.8  5.3 . . . . . A . 11 GLU HA  . . A . 14 LYS HB2 . . . 11 . HA  . . . . . 14 . HB# . . rr_1dng 1 
       115 2 OR . 1 1 11 11 GLU HA  H . . . 1 1 14 14 LYS HB3 H . . . . . 3.9 1.8  5.3 . . . . . A . 11 GLU HA  . . A . 14 LYS HB3 . . . 11 . HA  . . . . . 14 . HB# . . rr_1dng 1 
       116 1 OR . 1 1 11 11 GLU HA  H . . . 1 1 14 14 LYS HG2 H . . . . . 3.9 1.8  5.3 . . . . . A . 11 GLU HA  . . A . 14 LYS HG2 . . . 11 . HA  . . . . . 14 . HG# . . rr_1dng 1 
       116 2 OR . 1 1 11 11 GLU HA  H . . . 1 1 14 14 LYS HG3 H . . . . . 3.9 1.8  5.3 . . . . . A . 11 GLU HA  . . A . 14 LYS HG3 . . . 11 . HA  . . . . . 14 . HG# . . rr_1dng 1 
       117 1 OR . 1 1 11 11 GLU HA  H . . . 1 1 14 14 LYS HD2 H . . . . . 3.9 1.8  5.3 . . . . . A . 11 GLU HA  . . A . 14 LYS HD2 . . . 11 . HA  . . . . . 14 . HD# . . rr_1dng 1 
       117 2 OR . 1 1 11 11 GLU HA  H . . . 1 1 14 14 LYS HD3 H . . . . . 3.9 1.8  5.3 . . . . . A . 11 GLU HA  . . A . 14 LYS HD3 . . . 11 . HA  . . . . . 14 . HD# . . rr_1dng 1 
       118 1 OR . 1 1 11 11 GLU HA  H . . . 1 1 14 14 LYS HE2 H . . . . . 3.9 1.8  5.3 . . . . . A . 11 GLU HA  . . A . 14 LYS HE2 . . . 11 . HA  . . . . . 14 . HE# . . rr_1dng 1 
       118 2 OR . 1 1 11 11 GLU HA  H . . . 1 1 14 14 LYS HE3 H . . . . . 3.9 1.8  5.3 . . . . . A . 11 GLU HA  . . A . 14 LYS HE3 . . . 11 . HA  . . . . . 14 . HE# . . rr_1dng 1 
       119 1 OR . 1 1 14 14 LYS H   H . . . 1 1 11 11 GLU HB2 H . . . . . 5.0 1.8  6.5 . . . . . A . 11 GLU HB2 . . A . 14 LYS H   . . . 11 . HB# . . . . . 14 . HN  . . rr_1dng 1 
       119 2 OR . 1 1 11 11 GLU HB3 H . . . 1 1 14 14 LYS H   H . . . . . 5.0 1.8  6.5 . . . . . A . 11 GLU HB3 . . A . 14 LYS H   . . . 11 . HB# . . . . . 14 . HN  . . rr_1dng 1 
       120 1  . . 1 1 12 12 LEU H   H . . . 1 1 13 13 ALA H   H . . . . . 2.8 1.8  3.1 . . . . . A . 12 LEU H   . . A . 13 ALA H   . . . 12 . HN  . . . . . 13 . HN  . . rr_1dng 1 
       121 1  . . 1 1 12 12 LEU H   H . . . 1 1 13 13 ALA MB  H . . . . . 3.9 1.8  5.3 . . . . . A . 12 LEU H   . . A . 13 ALA MB  . . . 12 . HN  . . . . . 13 . HB# . . rr_1dng 1 
       122 1  . . 1 1 12 12 LEU HB3 H . . . 1 1 13 13 ALA H   H . . . . . 3.9 1.8  4.3 . . . . . A . 12 LEU HB3 . . A . 13 ALA H   . . . 12 . HB1 . . . . . 13 . HN  . . rr_1dng 1 
       123 1  . . 1 1 12 12 LEU HB3 H . . . 1 1 13 13 ALA MB  H . . . . . 5.0 1.8  6.5 . . . . . A . 12 LEU HB3 . . A . 13 ALA MB  . . . 12 . HB1 . . . . . 13 . HB# . . rr_1dng 1 
       124 1  . . 1 1 12 12 LEU HB2 H . . . 1 1 13 13 ALA H   H . . . . . 3.9 1.8  4.3 . . . . . A . 12 LEU HB2 . . A . 13 ALA H   . . . 12 . HB2 . . . . . 13 . HN  . . rr_1dng 1 
       125 1  . . 1 1 12 12 LEU HB2 H . . . 1 1 13 13 ALA MB  H . . . . . 5.0 1.8  6.5 . . . . . A . 12 LEU HB2 . . A . 13 ALA MB  . . . 12 . HB2 . . . . . 13 . HB# . . rr_1dng 1 
       126 1  . . 1 1 12 12 LEU HG  H . . . 1 1 13 13 ALA H   H . . . . . 3.9 1.8  4.3 . . . . . A . 12 LEU HG  . . A . 13 ALA H   . . . 12 . HG  . . . . . 13 . HN  . . rr_1dng 1 
       127 1 OR . 1 1 13 13 ALA H   H . . . 1 1 12 12 LEU MD1 H . . . . . 3.9 1.8  6.7 . . . . . A . 12 LEU MD1 . . A . 13 ALA H   . . . 12 . HD* . . . . . 13 . HN  . . rr_1dng 1 
       127 2 OR . 1 1 12 12 LEU MD2 H . . . 1 1 13 13 ALA H   H . . . . . 3.9 1.8  6.7 . . . . . A . 12 LEU MD2 . . A . 13 ALA H   . . . 12 . HD* . . . . . 13 . HN  . . rr_1dng 1 
       128 1 OR . 1 1 13 13 ALA MB  H . . . 1 1 12 12 LEU MD1 H . . . . . 5.0 1.8  8.9 . . . . . A . 12 LEU MD1 . . A . 13 ALA MB  . . . 12 . HD* . . . . . 13 . HB# . . rr_1dng 1 
       128 2 OR . 1 1 12 12 LEU MD2 H . . . 1 1 13 13 ALA MB  H . . . . . 5.0 1.8  8.9 . . . . . A . 12 LEU MD2 . . A . 13 ALA MB  . . . 12 . HD* . . . . . 13 . HB# . . rr_1dng 1 
       129 1  . . 1 1 12 12 LEU H   H . . . 1 1 14 14 LYS H   H . . . . . 3.9 1.8  4.3 . . . . . A . 12 LEU H   . . A . 14 LYS H   . . . 12 . HN  . . . . . 14 . HN  . . rr_1dng 1 
       130 1 OR . 1 1 14 14 LYS H   H . . . 1 1 12 12 LEU MD1 H . . . . . 5.0 1.8  7.9 . . . . . A . 12 LEU MD1 . . A . 14 LYS H   . . . 12 . HD* . . . . . 14 . HN  . . rr_1dng 1 
       130 2 OR . 1 1 12 12 LEU MD2 H . . . 1 1 14 14 LYS H   H . . . . . 5.0 1.8  7.9 . . . . . A . 12 LEU MD2 . . A . 14 LYS H   . . . 12 . HD* . . . . . 14 . HN  . . rr_1dng 1 
       131 1 OR . 1 1 12 12 LEU HA  H . . . 1 1 15 15 SER HB2 H . . . . . 3.9 1.8  5.3 . . . . . A . 12 LEU HA  . . A . 15 SER HB2 . . . 12 . HA  . . . . . 15 . HB# . . rr_1dng 1 
       131 2 OR . 1 1 12 12 LEU HA  H . . . 1 1 15 15 SER HB3 H . . . . . 3.9 1.8  5.3 . . . . . A . 12 LEU HA  . . A . 15 SER HB3 . . . 12 . HA  . . . . . 15 . HB# . . rr_1dng 1 
       132 1  . . 1 1 13 13 ALA H   H . . . 1 1 14 14 LYS H   H . . . . . 2.8 1.8  3.1 . . . . . A . 13 ALA H   . . A . 14 LYS H   . . . 13 . HN  . . . . . 14 . HN  . . rr_1dng 1 
       133 1 OR . 1 1 13 13 ALA H   H . . . 1 1 14 14 LYS HB2 H . . . . . 5.0 1.8  6.5 . . . . . A . 13 ALA H   . . A . 14 LYS HB2 . . . 13 . HN  . . . . . 14 . HB# . . rr_1dng 1 
       133 2 OR . 1 1 13 13 ALA H   H . . . 1 1 14 14 LYS HB3 H . . . . . 5.0 1.8  6.5 . . . . . A . 13 ALA H   . . A . 14 LYS HB3 . . . 13 . HN  . . . . . 14 . HB# . . rr_1dng 1 
       134 1  . . 1 1 13 13 ALA MB  H . . . 1 1 14 14 LYS H   H . . . . . 2.8 1.8  4.1 . . . . . A . 13 ALA MB  . . A . 14 LYS H   . . . 13 . HB# . . . . . 14 . HN  . . rr_1dng 1 
       135 1  . . 1 1 13 13 ALA MB  H . . . 1 1 15 15 SER H   H . . . . . 3.9 1.8  5.3 . . . . . A . 13 ALA MB  . . A . 15 SER H   . . . 13 . HB# . . . . . 15 . HN  . . rr_1dng 1 
       136 1  . . 1 1 15 15 SER H   H . . . 1 1 14 14 LYS HA  H . . . . . 2.8 1.8  3.1 . . . . . A . 14 LYS HA  . . A . 15 SER H   . . . 14 . HA  . . . . . 15 . HN  . . rr_1dng 1 
       137 1 OR . 1 1 15 15 SER H   H . . . 1 1 14 14 LYS HB2 H . . . . . 3.9 1.8  5.3 . . . . . A . 14 LYS HB2 . . A . 15 SER H   . . . 14 . HB# . . . . . 15 . HN  . . rr_1dng 1 
       137 2 OR . 1 1 14 14 LYS HB3 H . . . 1 1 15 15 SER H   H . . . . . 3.9 1.8  5.3 . . . . . A . 14 LYS HB3 . . A . 15 SER H   . . . 14 . HB# . . . . . 15 . HN  . . rr_1dng 1 
       138 1 OR . 1 1 15 15 SER H   H . . . 1 1 14 14 LYS HD2 H . . . . . 3.9 1.8  5.3 . . . . . A . 14 LYS HD2 . . A . 15 SER H   . . . 14 . HD# . . . . . 15 . HN  . . rr_1dng 1 
       138 2 OR . 1 1 14 14 LYS HD3 H . . . 1 1 15 15 SER H   H . . . . . 3.9 1.8  5.3 . . . . . A . 14 LYS HD3 . . A . 15 SER H   . . . 14 . HD# . . . . . 15 . HN  . . rr_1dng 1 
       139 1  . . 1 1  3  3 PRO HB3 H . . . 1 1  5  5 TYR QE  H . . . . . 6.0 1.8  8.5 . . . . . A .  3 PRO HB3 . . A .  5 TYR QE  . . .  3 . HB1 . . . . .  5 . HE* . . rr_1dng 1 
       140 1 OR . 1 1  5  5 TYR QD  H . . . 1 1  3  3 PRO HG2 H . . . . . 6.0 1.8  9.5 . . . . . A .  3 PRO HG2 . . A .  5 TYR QD  . . .  3 . HG# . . . . .  5 . HD* . . rr_1dng 1 
       140 2 OR . 1 1  3  3 PRO HG3 H . . . 1 1  5  5 TYR QD  H . . . . . 6.0 1.8  9.5 . . . . . A .  3 PRO HG3 . . A .  5 TYR QD  . . .  3 . HG# . . . . .  5 . HD* . . rr_1dng 1 
       141 1 OR . 1 1  5  5 TYR QE  H . . . 1 1  3  3 PRO HG2 H . . . . . 6.0 1.8  9.4 . . . . . A .  3 PRO HG2 . . A .  5 TYR QE  . . .  3 . HG# . . . . .  5 . HE* . . rr_1dng 1 
       141 2 OR . 1 1  3  3 PRO HG3 H . . . 1 1  5  5 TYR QE  H . . . . . 6.0 1.8  9.4 . . . . . A .  3 PRO HG3 . . A .  5 TYR QE  . . .  3 . HG# . . . . .  5 . HE* . . rr_1dng 1 
       142 1  . . 1 1  5  5 TYR H   H . . . 1 1  4  4 ALA HA  H . . . . . 2.8 1.8  3.1 . . . . . A .  4 ALA HA  . . A .  5 TYR H   . . .  4 . HA  . . . . .  5 . HN  . . rr_1dng 1 
       143 1  . . 1 1  4  4 ALA MB  H . . . 1 1  7  7 GLU H   H . . . . . 6.0 1.8  7.5 . . . . . A .  4 ALA MB  . . A .  7 GLU H   . . .  4 . HB# . . . . .  7 . HN  . . rr_1dng 1 
       144 1 OR . 1 1  5  5 TYR QD  H . . . 1 1  7  7 GLU HG2 H . . . . . 6.0 1.8  9.4 . . . . . A .  5 TYR QD  . . A .  7 GLU HG2 . . .  5 . HD* . . . . .  7 . HG# . . rr_1dng 1 
       144 2 OR . 1 1  5  5 TYR QD  H . . . 1 1  7  7 GLU HG3 H . . . . . 6.0 1.8  9.4 . . . . . A .  5 TYR QD  . . A .  7 GLU HG3 . . .  5 . HD* . . . . .  7 . HG# . . rr_1dng 1 
       145 1 OR . 1 1  5  5 TYR QE  H . . . 1 1  7  7 GLU HG2 H . . . . . 6.0 1.8  9.5 . . . . . A .  5 TYR QE  . . A .  7 GLU HG2 . . .  5 . HE* . . . . .  7 . HG# . . rr_1dng 1 
       145 2 OR . 1 1  5  5 TYR QE  H . . . 1 1  7  7 GLU HG3 H . . . . . 6.0 1.8  9.5 . . . . . A .  5 TYR QE  . . A .  7 GLU HG3 . . .  5 . HE* . . . . .  7 . HG# . . rr_1dng 1 
       146 1  . . 1 1  5  5 TYR QD  H . . . 1 1  8  8 ALA MB  H . . . . . 6.0 1.8  9.4 . . . . . A .  5 TYR QD  . . A .  8 ALA MB  . . .  5 . HD* . . . . .  8 . HB# . . rr_1dng 1 
       147 1  . . 1 1  5  5 TYR QE  H . . . 1 1  8  8 ALA MB  H . . . . . 6.0 1.8  9.5 . . . . . A .  5 TYR QE  . . A .  8 ALA MB  . . .  5 . HE* . . . . .  8 . HB# . . rr_1dng 1 
       148 1  . . 1 1  5  5 TYR HA  H . . . 1 1  9  9 ALA H   H . . . . . 5.0 1.8  5.5 . . . . . A .  5 TYR HA  . . A .  9 ALA H   . . .  5 . HA  . . . . .  9 . HN  . . rr_1dng 1 
       149 1 OR . 1 1  9  9 ALA H   H . . . 1 1  5  5 TYR HB2 H . . . . . 6.0 1.8  7.5 . . . . . A .  5 TYR HB2 . . A .  9 ALA H   . . .  5 . HB# . . . . .  9 . HN  . . rr_1dng 1 
       149 2 OR . 1 1  5  5 TYR HB3 H . . . 1 1  9  9 ALA H   H . . . . . 6.0 1.8  7.5 . . . . . A .  5 TYR HB3 . . A .  9 ALA H   . . .  5 . HB# . . . . .  9 . HN  . . rr_1dng 1 
       150 1  . . 1 1  5  5 TYR QD  H . . . 1 1  9  9 ALA H   H . . . . . 6.0 1.8  8.5 . . . . . A .  5 TYR QD  . . A .  9 ALA H   . . .  5 . HD* . . . . .  9 . HN  . . rr_1dng 1 
       151 1  . . 1 1  5  5 TYR QE  H . . . 1 1  9  9 ALA H   H . . . . . 6.0 1.8  8.5 . . . . . A .  5 TYR QE  . . A .  9 ALA H   . . .  5 . HE* . . . . .  9 . HN  . . rr_1dng 1 
       152 1  . . 1 1  6  6 GLU H   H . . . 1 1  8  8 ALA MB  H . . . . . 5.0 1.8  6.5 . . . . . A .  6 GLU H   . . A .  8 ALA MB  . . .  6 . HN  . . . . .  8 . HB# . . rr_1dng 1 
       153 1  . . 1 1  6  6 GLU HA  H . . . 1 1 10 10 GLU H   H . . . . . 5.0 1.8  5.5 . . . . . A .  6 GLU HA  . . A . 10 GLU H   . . .  6 . HA  . . . . . 10 . HN  . . rr_1dng 1 
       154 1  . . 1 1  7  7 GLU H   H . . . 1 1  8  8 ALA MB  H . . . . . 3.9 1.8  5.3 . . . . . A .  7 GLU H   . . A .  8 ALA MB  . . .  7 . HN  . . . . .  8 . HB# . . rr_1dng 1 
       155 1  . . 1 1  7  7 GLU HA  H . . . 1 1 11 11 GLU H   H . . . . . 5.0 1.8  5.5 . . . . . A .  7 GLU HA  . . A . 11 GLU H   . . .  7 . HA  . . . . . 11 . HN  . . rr_1dng 1 
       156 1 OR . 1 1  8  8 ALA MB  H . . . 1 1 11 11 GLU HB2 H . . . . . 3.9 1.8  6.3 . . . . . A .  8 ALA MB  . . A . 11 GLU HB2 . . .  8 . HB# . . . . . 11 . HB# . . rr_1dng 1 
       156 2 OR . 1 1  8  8 ALA MB  H . . . 1 1 11 11 GLU HB3 H . . . . . 3.9 1.8  6.3 . . . . . A .  8 ALA MB  . . A . 11 GLU HB3 . . .  8 . HB# . . . . . 11 . HB# . . rr_1dng 1 
       157 1 OR . 1 1  8  8 ALA MB  H . . . 1 1 11 11 GLU HG2 H . . . . . 3.9 1.8  6.3 . . . . . A .  8 ALA MB  . . A . 11 GLU HG2 . . .  8 . HB# . . . . . 11 . HG# . . rr_1dng 1 
       157 2 OR . 1 1  8  8 ALA MB  H . . . 1 1 11 11 GLU HG3 H . . . . . 3.9 1.8  6.3 . . . . . A .  8 ALA MB  . . A . 11 GLU HG3 . . .  8 . HB# . . . . . 11 . HG# . . rr_1dng 1 
       158 1  . . 1 1  8  8 ALA MB  H . . . 1 1 12 12 LEU H   H . . . . . 3.9 1.8  5.3 . . . . . A .  8 ALA MB  . . A . 12 LEU H   . . .  8 . HB# . . . . . 12 . HN  . . rr_1dng 1 
       159 1 OR . 1 1 11 11 GLU H   H . . . 1 1 10 10 GLU HB2 H . . . . . 2.8 1.8  4.1 . . . . . A . 10 GLU HB2 . . A . 11 GLU H   . . . 10 . HB# . . . . . 11 . HN  . . rr_1dng 1 
       159 2 OR . 1 1 10 10 GLU HB3 H . . . 1 1 11 11 GLU H   H . . . . . 2.8 1.8  4.1 . . . . . A . 10 GLU HB3 . . A . 11 GLU H   . . . 10 . HB# . . . . . 11 . HN  . . rr_1dng 1 
       160 1  . . 1 1 10 10 GLU HA  H . . . 1 1 14 14 LYS H   H . . . . . 5.0 1.8  5.5 . . . . . A . 10 GLU HA  . . A . 14 LYS H   . . . 10 . HA  . . . . . 14 . HN  . . rr_1dng 1 
       161 1 OR . 1 1 12 12 LEU HG  H . . . 1 1 11 11 GLU HG2 H . . . . . 5.0 1.8  6.5 . . . . . A . 11 GLU HG2 . . A . 12 LEU HG  . . . 11 . HG# . . . . . 12 . HG  . . rr_1dng 1 
       161 2 OR . 1 1 11 11 GLU HG3 H . . . 1 1 12 12 LEU HG  H . . . . . 5.0 1.8  6.5 . . . . . A . 11 GLU HG3 . . A . 12 LEU HG  . . . 11 . HG# . . . . . 12 . HG  . . rr_1dng 1 
       162 1  . . 1 1 14 14 LYS H   H . . . 1 1 13 13 ALA HA  H . . . . . 3.9 1.8  4.3 . . . . . A . 13 ALA HA  . . A . 14 LYS H   . . . 13 . HA  . . . . . 14 . HN  . . rr_1dng 1 
       163 1  . . 1 1 15 15 SER H   H . . . 1 1 13 13 ALA HA  H . . . . . 5.0 1.8  5.5 . . . . . A . 13 ALA HA  . . A . 15 SER H   . . . 13 . HA  . . . . . 15 . HN  . . rr_1dng 1 
       164 1  . . 1 1 13 13 ALA MB  H . . . 1 1 14 14 LYS HA  H . . . . . 3.9 1.8  5.3 . . . . . A . 13 ALA MB  . . A . 14 LYS HA  . . . 13 . HB# . . . . . 14 . HA  . . rr_1dng 1 
       165 1  . . 1 1 14 14 LYS H   H . . . 1 1 15 15 SER H   H . . . . . 3.9 1.8  4.3 . . . . . A . 14 LYS H   . . A . 15 SER H   . . . 14 . HN  . . . . . 15 . HN  . . rr_1dng 1 
       166 1  . . 1 1  3  3 PRO HB3 H . . . 1 1  2  2 ALA MB  H . . . . . 6.0 1.8  7.5 . . . . . A .  2 ALA MB  . . A .  3 PRO HB3 . . .  2 . HB# . . . . .  3 . HB1 . . rr_1dng 1 
       167 1  . . 1 1  3  3 PRO HB2 H . . . 1 1  2  2 ALA MB  H . . . . . 6.0 1.8  7.5 . . . . . A .  2 ALA MB  . . A .  3 PRO HB2 . . .  2 . HB# . . . . .  3 . HB2 . . rr_1dng 1 
       168 1 OR . 1 1  2  2 ALA MB  H . . . 1 1  6  6 GLU HB2 H . . . . . 6.0 1.8  8.5 . . . . . A .  2 ALA MB  . . A .  6 GLU HB2 . . .  2 . HB# . . . . .  6 . HB# . . rr_1dng 1 
       168 2 OR . 1 1  2  2 ALA MB  H . . . 1 1  6  6 GLU HB3 H . . . . . 6.0 1.8  8.5 . . . . . A .  2 ALA MB  . . A .  6 GLU HB3 . . .  2 . HB# . . . . .  6 . HB# . . rr_1dng 1 
       169 1 OR . 1 1  2  2 ALA MB  H . . . 1 1  6  6 GLU HG2 H . . . . . 6.0 1.8  8.5 . . . . . A .  2 ALA MB  . . A .  6 GLU HG2 . . .  2 . HB# . . . . .  6 . HG# . . rr_1dng 1 
       169 2 OR . 1 1  2  2 ALA MB  H . . . 1 1  6  6 GLU HG3 H . . . . . 6.0 1.8  8.5 . . . . . A .  2 ALA MB  . . A .  6 GLU HG3 . . .  2 . HB# . . . . .  6 . HG# . . rr_1dng 1 
       170 1  . . 1 1  3  3 PRO HB3 H . . . 1 1  4  4 ALA HA  H . . . . . 6.0 1.8  6.5 . . . . . A .  3 PRO HB3 . . A .  4 ALA HA  . . .  3 . HB1 . . . . .  4 . HA  . . rr_1dng 1 
       171 1  . . 1 1  3  3 PRO HB2 H . . . 1 1  4  4 ALA HA  H . . . . . 6.0 1.8  6.5 . . . . . A .  3 PRO HB2 . . A .  4 ALA HA  . . .  3 . HB2 . . . . .  4 . HA  . . rr_1dng 1 
       172 1 OR . 1 1  4  4 ALA HA  H . . . 1 1  3  3 PRO HG2 H . . . . . 6.0 1.8  7.5 . . . . . A .  3 PRO HG2 . . A .  4 ALA HA  . . .  3 . HG# . . . . .  4 . HA  . . rr_1dng 1 
       172 2 OR . 1 1  3  3 PRO HG3 H . . . 1 1  4  4 ALA HA  H . . . . . 6.0 1.8  7.5 . . . . . A .  3 PRO HG3 . . A .  4 ALA HA  . . .  3 . HG# . . . . .  4 . HA  . . rr_1dng 1 
       173 1  . . 1 1  3  3 PRO HA  H . . . 1 1  5  5 TYR H   H . . . . . 5.0 1.8  5.5 . . . . . A .  3 PRO HA  . . A .  5 TYR H   . . .  3 . HA  . . . . .  5 . HN  . . rr_1dng 1 
       174 1 OR . 1 1  3  3 PRO HB3 H . . . 1 1  5  5 TYR HB2 H . . . . . 6.0 1.8  7.5 . . . . . A .  3 PRO HB3 . . A .  5 TYR HB2 . . .  3 . HB1 . . . . .  5 . HB# . . rr_1dng 1 
       174 2 OR . 1 1  3  3 PRO HB3 H . . . 1 1  5  5 TYR HB3 H . . . . . 6.0 1.8  7.5 . . . . . A .  3 PRO HB3 . . A .  5 TYR HB3 . . .  3 . HB1 . . . . .  5 . HB# . . rr_1dng 1 
       175 1 OR . 1 1  3  3 PRO HG3 H . . . 1 1  5  5 TYR HB2 H . . . . . 6.0 1.8  8.5 . . . . . A .  3 PRO HG3 . . A .  5 TYR HB2 . . .  3 . HG# . . . . .  5 . HB# . . rr_1dng 1 
       175 2 OR . 1 1  3  3 PRO HG2 H . . . 1 1  5  5 TYR HB2 H . . . . . 6.0 1.8  8.5 . . . . . A .  3 PRO HG2 . . A .  5 TYR HB2 . . .  3 . HG# . . . . .  5 . HB# . . rr_1dng 1 
       175 3 OR . 1 1  5  5 TYR HB3 H . . . 1 1  3  3 PRO HG2 H . . . . . 6.0 1.8  8.5 . . . . . A .  3 PRO HG2 . . A .  5 TYR HB3 . . .  3 . HG# . . . . .  5 . HB# . . rr_1dng 1 
       175 4 OR . 1 1  3  3 PRO HG3 H . . . 1 1  5  5 TYR HB3 H . . . . . 6.0 1.8  8.5 . . . . . A .  3 PRO HG3 . . A .  5 TYR HB3 . . .  3 . HG# . . . . .  5 . HB# . . rr_1dng 1 
       176 1  . . 1 1  3  3 PRO HA  H . . . 1 1  6  6 GLU H   H . . . . . 5.0 1.8  5.5 . . . . . A .  3 PRO HA  . . A .  6 GLU H   . . .  3 . HA  . . . . .  6 . HN  . . rr_1dng 1 
       177 1  . . 1 1  3  3 PRO HB3 H . . . 1 1  6  6 GLU H   H . . . . . 6.0 1.8  6.5 . . . . . A .  3 PRO HB3 . . A .  6 GLU H   . . .  3 . HB1 . . . . .  6 . HN  . . rr_1dng 1 
       178 1 OR . 1 1  3  3 PRO HD3 H . . . 1 1  6  6 GLU HG2 H . . . . . 6.0 1.8  7.5 . . . . . A .  3 PRO HD3 . . A .  6 GLU HG2 . . .  3 . HD1 . . . . .  6 . HG# . . rr_1dng 1 
       178 2 OR . 1 1  3  3 PRO HD3 H . . . 1 1  6  6 GLU HG3 H . . . . . 6.0 1.8  7.5 . . . . . A .  3 PRO HD3 . . A .  6 GLU HG3 . . .  3 . HD1 . . . . .  6 . HG# . . rr_1dng 1 
       179 1 OR . 1 1  3  3 PRO HD2 H . . . 1 1  6  6 GLU HG2 H . . . . . 6.0 1.8  7.5 . . . . . A .  3 PRO HD2 . . A .  6 GLU HG2 . . .  3 . HD2 . . . . .  6 . HG# . . rr_1dng 1 
       179 2 OR . 1 1  3  3 PRO HD2 H . . . 1 1  6  6 GLU HG3 H . . . . . 6.0 1.8  7.5 . . . . . A .  3 PRO HD2 . . A .  6 GLU HG3 . . .  3 . HD2 . . . . .  6 . HG# . . rr_1dng 1 
       180 1  . . 1 1  4  4 ALA H   H . . . 1 1  5  5 TYR QD  H . . . . . 6.0 1.8  8.5 . . . . . A .  4 ALA H   . . A .  5 TYR QD  . . .  4 . HN  . . . . .  5 . HD* . . rr_1dng 1 
       181 1  . . 1 1  4  4 ALA H   H . . . 1 1  5  5 TYR QE  H . . . . . 6.0 1.8  8.5 . . . . . A .  4 ALA H   . . A .  5 TYR QE  . . .  4 . HN  . . . . .  5 . HE* . . rr_1dng 1 
       182 1  . . 1 1  4  4 ALA H   H . . . 1 1  6  6 GLU H   H . . . . . 5.0 1.8  5.5 . . . . . A .  4 ALA H   . . A .  6 GLU H   . . .  4 . HN  . . . . .  6 . HN  . . rr_1dng 1 
       183 1 OR . 1 1  4  4 ALA HA  H . . . 1 1  7  7 GLU HG2 H . . . . . 5.0 1.8  6.5 . . . . . A .  4 ALA HA  . . A .  7 GLU HG2 . . .  4 . HA  . . . . .  7 . HG# . . rr_1dng 1 
       183 2 OR . 1 1  4  4 ALA HA  H . . . 1 1  7  7 GLU HG3 H . . . . . 5.0 1.8  6.5 . . . . . A .  4 ALA HA  . . A .  7 GLU HG3 . . .  4 . HA  . . . . .  7 . HG# . . rr_1dng 1 
       184 1 OR . 1 1  5  5 TYR H   H . . . 1 1  6  6 GLU HB2 H . . . . . 5.0 1.8  6.5 . . . . . A .  5 TYR H   . . A .  6 GLU HB2 . . .  5 . HN  . . . . .  6 . HB# . . rr_1dng 1 
       184 2 OR . 1 1  5  5 TYR H   H . . . 1 1  6  6 GLU HB3 H . . . . . 5.0 1.8  6.5 . . . . . A .  5 TYR H   . . A .  6 GLU HB3 . . .  5 . HN  . . . . .  6 . HB# . . rr_1dng 1 
       185 1 OR . 1 1  5  5 TYR H   H . . . 1 1  6  6 GLU HG2 H . . . . . 5.0 1.8  6.5 . . . . . A .  5 TYR H   . . A .  6 GLU HG2 . . .  5 . HN  . . . . .  6 . HG# . . rr_1dng 1 
       185 2 OR . 1 1  5  5 TYR H   H . . . 1 1  6  6 GLU HG3 H . . . . . 5.0 1.8  6.5 . . . . . A .  5 TYR H   . . A .  6 GLU HG3 . . .  5 . HN  . . . . .  6 . HG# . . rr_1dng 1 
       186 1 OR . 1 1  5  5 TYR HA  H . . . 1 1  6  6 GLU HG2 H . . . . . 5.0 1.8  6.5 . . . . . A .  5 TYR HA  . . A .  6 GLU HG2 . . .  5 . HA  . . . . .  6 . HG# . . rr_1dng 1 
       186 2 OR . 1 1  6  6 GLU HG3 H . . . 1 1  5  5 TYR HA  H . . . . . 5.0 1.8  6.5 . . . . . A .  5 TYR HA  . . A .  6 GLU HG3 . . .  5 . HA  . . . . .  6 . HG# . . rr_1dng 1 
       187 1  . . 1 1  5  5 TYR QE  H . . . 1 1  6  6 GLU H   H . . . . . 6.0 1.8  8.5 . . . . . A .  5 TYR QE  . . A .  6 GLU H   . . .  5 . HE* . . . . .  6 . HN  . . rr_1dng 1 
       188 1 OR . 1 1  5  5 TYR HB3 H . . . 1 1  7  7 GLU HB2 H . . . . . 6.0 1.8  8.5 . . . . . A .  5 TYR HB3 . . A .  7 GLU HB2 . . .  5 . HB# . . . . .  7 . HB# . . rr_1dng 1 
       188 2 OR . 1 1  5  5 TYR HB2 H . . . 1 1  7  7 GLU HB2 H . . . . . 6.0 1.8  8.5 . . . . . A .  5 TYR HB2 . . A .  7 GLU HB2 . . .  5 . HB# . . . . .  7 . HB# . . rr_1dng 1 
       188 3 OR . 1 1  7  7 GLU HB3 H . . . 1 1  5  5 TYR HB2 H . . . . . 6.0 1.8  8.5 . . . . . A .  5 TYR HB2 . . A .  7 GLU HB3 . . .  5 . HB# . . . . .  7 . HB# . . rr_1dng 1 
       188 4 OR . 1 1  5  5 TYR HB3 H . . . 1 1  7  7 GLU HB3 H . . . . . 6.0 1.8  8.5 . . . . . A .  5 TYR HB3 . . A .  7 GLU HB3 . . .  5 . HB# . . . . .  7 . HB# . . rr_1dng 1 
       189 1  . . 1 1  5  5 TYR QE  H . . . 1 1  7  7 GLU H   H . . . . . 6.0 1.8  8.5 . . . . . A .  5 TYR QE  . . A .  7 GLU H   . . .  5 . HE* . . . . .  7 . HN  . . rr_1dng 1 
       190 1 OR . 1 1  5  5 TYR HA  H . . . 1 1 12 12 LEU MD1 H . . . . . 5.0 1.8  7.9 . . . . . A .  5 TYR HA  . . A . 12 LEU MD1 . . .  5 . HA  . . . . . 12 . HD* . . rr_1dng 1 
       190 2 OR . 1 1  5  5 TYR HA  H . . . 1 1 12 12 LEU MD2 H . . . . . 5.0 1.8  7.9 . . . . . A .  5 TYR HA  . . A . 12 LEU MD2 . . .  5 . HA  . . . . . 12 . HD* . . rr_1dng 1 
       191 1 OR . 1 1  5  5 TYR HB3 H . . . 1 1 12 12 LEU MD1 H . . . . . 6.0 1.8  9.9 . . . . . A .  5 TYR HB3 . . A . 12 LEU MD1 . . .  5 . HB# . . . . . 12 . HD* . . rr_1dng 1 
       191 2 OR . 1 1  5  5 TYR HB2 H . . . 1 1 12 12 LEU MD1 H . . . . . 6.0 1.8  9.9 . . . . . A .  5 TYR HB2 . . A . 12 LEU MD1 . . .  5 . HB# . . . . . 12 . HD* . . rr_1dng 1 
       191 3 OR . 1 1 12 12 LEU MD2 H . . . 1 1  5  5 TYR HB2 H . . . . . 6.0 1.8  9.9 . . . . . A .  5 TYR HB2 . . A . 12 LEU MD2 . . .  5 . HB# . . . . . 12 . HD* . . rr_1dng 1 
       191 4 OR . 1 1  5  5 TYR HB3 H . . . 1 1 12 12 LEU MD2 H . . . . . 6.0 1.8  9.9 . . . . . A .  5 TYR HB3 . . A . 12 LEU MD2 . . .  5 . HB# . . . . . 12 . HD* . . rr_1dng 1 
       192 1 OR . 1 1  5  5 TYR QD  H . . . 1 1 12 12 LEU MD1 H . . . . . 6.0 1.8 10.9 . . . . . A .  5 TYR QD  . . A . 12 LEU MD1 . . .  5 . HD* . . . . . 12 . HD* . . rr_1dng 1 
       192 2 OR . 1 1  5  5 TYR QD  H . . . 1 1 12 12 LEU MD2 H . . . . . 6.0 1.8 10.9 . . . . . A .  5 TYR QD  . . A . 12 LEU MD2 . . .  5 . HD* . . . . . 12 . HD* . . rr_1dng 1 
       193 1 OR . 1 1  5  5 TYR QE  H . . . 1 1 12 12 LEU MD1 H . . . . . 6.0 1.8 10.9 . . . . . A .  5 TYR QE  . . A . 12 LEU MD1 . . .  5 . HE* . . . . . 12 . HD* . . rr_1dng 1 
       193 2 OR . 1 1  5  5 TYR QE  H . . . 1 1 12 12 LEU MD2 H . . . . . 6.0 1.8 10.9 . . . . . A .  5 TYR QE  . . A . 12 LEU MD2 . . .  5 . HE* . . . . . 12 . HD* . . rr_1dng 1 
       194 1  . . 1 1  7  7 GLU HA  H . . . 1 1 10 10 GLU HG2 H . . . . . 5.0 1.8  5.5 . . . . . A .  7 GLU HA  . . A . 10 GLU HG2 . . .  7 . HA  . . . . . 10 . HG2 . . rr_1dng 1 
       195 1  . . 1 1  9  9 ALA MB  H . . . 1 1 10 10 GLU HG3 H . . . . . 5.0 1.8  6.5 . . . . . A .  9 ALA MB  . . A . 10 GLU HG3 . . .  9 . HB# . . . . . 10 . HG1 . . rr_1dng 1 
       196 1  . . 1 1  9  9 ALA MB  H . . . 1 1 10 10 GLU HG2 H . . . . . 5.0 1.8  6.5 . . . . . A .  9 ALA MB  . . A . 10 GLU HG2 . . .  9 . HB# . . . . . 10 . HG2 . . rr_1dng 1 
       197 1 OR . 1 1  9  9 ALA H   H . . . 1 1 12 12 LEU MD1 H . . . . . 5.0 1.8  7.9 . . . . . A .  9 ALA H   . . A . 12 LEU MD1 . . .  9 . HN  . . . . . 12 . HD* . . rr_1dng 1 
       197 2 OR . 1 1  9  9 ALA H   H . . . 1 1 12 12 LEU MD2 H . . . . . 5.0 1.8  7.9 . . . . . A .  9 ALA H   . . A . 12 LEU MD2 . . .  9 . HN  . . . . . 12 . HD* . . rr_1dng 1 
       198 1  . . 1 1  9  9 ALA MB  H . . . 1 1 12 12 LEU HB3 H . . . . . 5.0 1.8  6.5 . . . . . A .  9 ALA MB  . . A . 12 LEU HB3 . . .  9 . HB# . . . . . 12 . HB1 . . rr_1dng 1 
       199 1  . . 1 1  9  9 ALA MB  H . . . 1 1 12 12 LEU HB2 H . . . . . 5.0 1.8  6.5 . . . . . A .  9 ALA MB  . . A . 12 LEU HB2 . . .  9 . HB# . . . . . 12 . HB2 . . rr_1dng 1 
       200 1  . . 1 1 10 10 GLU HG3 H . . . 1 1 11 11 GLU H   H . . . . . 5.0 1.8  5.5 . . . . . A . 10 GLU HG3 . . A . 11 GLU H   . . . 10 . HG1 . . . . . 11 . HN  . . rr_1dng 1 
       201 1  . . 1 1 11 11 GLU H   H . . . 1 1 10 10 GLU HG2 H . . . . . 5.0 1.8  5.5 . . . . . A . 10 GLU HG2 . . A . 11 GLU H   . . . 10 . HG2 . . . . . 11 . HN  . . rr_1dng 1 
       202 1  . . 1 1 10 10 GLU H   H . . . 1 1 12 12 LEU HB3 H . . . . . 6.0 1.8  6.5 . . . . . A . 10 GLU H   . . A . 12 LEU HB3 . . . 10 . HN  . . . . . 12 . HB1 . . rr_1dng 1 
       203 1  . . 1 1 10 10 GLU H   H . . . 1 1 12 12 LEU HB2 H . . . . . 5.0 1.8  5.5 . . . . . A . 10 GLU H   . . A . 12 LEU HB2 . . . 10 . HN  . . . . . 12 . HB2 . . rr_1dng 1 
       204 1  . . 1 1 10 10 GLU H   H . . . 1 1 12 12 LEU HG  H . . . . . 5.0 1.8  5.5 . . . . . A . 10 GLU H   . . A . 12 LEU HG  . . . 10 . HN  . . . . . 12 . HG  . . rr_1dng 1 
       205 1  . . 1 1 10 10 GLU HG3 H . . . 1 1 13 13 ALA MB  H . . . . . 5.0 1.8  6.5 . . . . . A . 10 GLU HG3 . . A . 13 ALA MB  . . . 10 . HG1 . . . . . 13 . HB# . . rr_1dng 1 
       206 1  . . 1 1 13 13 ALA MB  H . . . 1 1 10 10 GLU HG2 H . . . . . 5.0 1.8  6.5 . . . . . A . 10 GLU HG2 . . A . 13 ALA MB  . . . 10 . HG2 . . . . . 13 . HB# . . rr_1dng 1 
       207 1 OR . 1 1 10 10 GLU HA  H . . . 1 1 14 14 LYS HB2 H . . . . . 5.0 1.8  6.5 . . . . . A . 10 GLU HA  . . A . 14 LYS HB2 . . . 10 . HA  . . . . . 14 . HB# . . rr_1dng 1 
       207 2 OR . 1 1 10 10 GLU HA  H . . . 1 1 14 14 LYS HB3 H . . . . . 5.0 1.8  6.5 . . . . . A . 10 GLU HA  . . A . 14 LYS HB3 . . . 10 . HA  . . . . . 14 . HB# . . rr_1dng 1 
       208 1 OR . 1 1 10 10 GLU HA  H . . . 1 1 14 14 LYS HE2 H . . . . . 5.0 1.8  6.5 . . . . . A . 10 GLU HA  . . A . 14 LYS HE2 . . . 10 . HA  . . . . . 14 . HE# . . rr_1dng 1 
       208 2 OR . 1 1 10 10 GLU HA  H . . . 1 1 14 14 LYS HE3 H . . . . . 5.0 1.8  6.5 . . . . . A . 10 GLU HA  . . A . 14 LYS HE3 . . . 10 . HA  . . . . . 14 . HE# . . rr_1dng 1 
       209 1 OR . 1 1 10 10 GLU HB2 H . . . 1 1 14 14 LYS HB2 H . . . . . 5.0 1.8  7.5 . . . . . A . 10 GLU HB2 . . A . 14 LYS HB2 . . . 10 . HB# . . . . . 14 . HB# . . rr_1dng 1 
       209 2 OR . 1 1 10 10 GLU HB3 H . . . 1 1 14 14 LYS HB2 H . . . . . 5.0 1.8  7.5 . . . . . A . 10 GLU HB3 . . A . 14 LYS HB2 . . . 10 . HB# . . . . . 14 . HB# . . rr_1dng 1 
       209 3 OR . 1 1 14 14 LYS HB3 H . . . 1 1 10 10 GLU HB2 H . . . . . 5.0 1.8  7.5 . . . . . A . 10 GLU HB2 . . A . 14 LYS HB3 . . . 10 . HB# . . . . . 14 . HB# . . rr_1dng 1 
       209 4 OR . 1 1 10 10 GLU HB3 H . . . 1 1 14 14 LYS HB3 H . . . . . 5.0 1.8  7.5 . . . . . A . 10 GLU HB3 . . A . 14 LYS HB3 . . . 10 . HB# . . . . . 14 . HB# . . rr_1dng 1 
       210 1 OR . 1 1 10 10 GLU HB2 H . . . 1 1 14 14 LYS HE2 H . . . . . 5.0 1.8  7.5 . . . . . A . 10 GLU HB2 . . A . 14 LYS HE2 . . . 10 . HB# . . . . . 14 . HE# . . rr_1dng 1 
       210 2 OR . 1 1 10 10 GLU HB3 H . . . 1 1 14 14 LYS HE2 H . . . . . 5.0 1.8  7.5 . . . . . A . 10 GLU HB3 . . A . 14 LYS HE2 . . . 10 . HB# . . . . . 14 . HE# . . rr_1dng 1 
       210 3 OR . 1 1 14 14 LYS HE3 H . . . 1 1 10 10 GLU HB2 H . . . . . 5.0 1.8  7.5 . . . . . A . 10 GLU HB2 . . A . 14 LYS HE3 . . . 10 . HB# . . . . . 14 . HE# . . rr_1dng 1 
       210 4 OR . 1 1 10 10 GLU HB3 H . . . 1 1 14 14 LYS HE3 H . . . . . 5.0 1.8  7.5 . . . . . A . 10 GLU HB3 . . A . 14 LYS HE3 . . . 10 . HB# . . . . . 14 . HE# . . rr_1dng 1 
       211 1 OR . 1 1 10 10 GLU HG3 H . . . 1 1 14 14 LYS HB2 H . . . . . 5.0 1.8  6.5 . . . . . A . 10 GLU HG3 . . A . 14 LYS HB2 . . . 10 . HG1 . . . . . 14 . HB# . . rr_1dng 1 
       211 2 OR . 1 1 10 10 GLU HG3 H . . . 1 1 14 14 LYS HB3 H . . . . . 5.0 1.8  6.5 . . . . . A . 10 GLU HG3 . . A . 14 LYS HB3 . . . 10 . HG1 . . . . . 14 . HB# . . rr_1dng 1 
       212 1 OR . 1 1 10 10 GLU HG3 H . . . 1 1 14 14 LYS HE2 H . . . . . 5.0 1.8  6.5 . . . . . A . 10 GLU HG3 . . A . 14 LYS HE2 . . . 10 . HG1 . . . . . 14 . HE# . . rr_1dng 1 
       212 2 OR . 1 1 10 10 GLU HG3 H . . . 1 1 14 14 LYS HE3 H . . . . . 5.0 1.8  6.5 . . . . . A . 10 GLU HG3 . . A . 14 LYS HE3 . . . 10 . HG1 . . . . . 14 . HE# . . rr_1dng 1 
       213 1 OR . 1 1 10 10 GLU HG2 H . . . 1 1 14 14 LYS HB2 H . . . . . 5.0 1.8  6.5 . . . . . A . 10 GLU HG2 . . A . 14 LYS HB2 . . . 10 . HG2 . . . . . 14 . HB# . . rr_1dng 1 
       213 2 OR . 1 1 14 14 LYS HB3 H . . . 1 1 10 10 GLU HG2 H . . . . . 5.0 1.8  6.5 . . . . . A . 10 GLU HG2 . . A . 14 LYS HB3 . . . 10 . HG2 . . . . . 14 . HB# . . rr_1dng 1 
       214 1 OR . 1 1 10 10 GLU HG2 H . . . 1 1 14 14 LYS HE2 H . . . . . 5.0 1.8  6.5 . . . . . A . 10 GLU HG2 . . A . 14 LYS HE2 . . . 10 . HG2 . . . . . 14 . HE# . . rr_1dng 1 
       214 2 OR . 1 1 14 14 LYS HE3 H . . . 1 1 10 10 GLU HG2 H . . . . . 5.0 1.8  6.5 . . . . . A . 10 GLU HG2 . . A . 14 LYS HE3 . . . 10 . HG2 . . . . . 14 . HE# . . rr_1dng 1 
       215 1  . . 1 1 11 11 GLU H   H . . . 1 1 12 12 LEU HB2 H . . . . . 5.0 1.8  5.5 . . . . . A . 11 GLU H   . . A . 12 LEU HB2 . . . 11 . HN  . . . . . 12 . HB2 . . rr_1dng 1 
       216 1 OR . 1 1 11 11 GLU H   H . . . 1 1 14 14 LYS HB2 H . . . . . 5.0 1.8  6.5 . . . . . A . 11 GLU H   . . A . 14 LYS HB2 . . . 11 . HN  . . . . . 14 . HB# . . rr_1dng 1 
       216 2 OR . 1 1 11 11 GLU H   H . . . 1 1 14 14 LYS HB3 H . . . . . 5.0 1.8  6.5 . . . . . A . 11 GLU H   . . A . 14 LYS HB3 . . . 11 . HN  . . . . . 14 . HB# . . rr_1dng 1 
       217 1 OR . 1 1 14 14 LYS H   H . . . 1 1 11 11 GLU HG2 H . . . . . 5.0 1.8  6.5 . . . . . A . 11 GLU HG2 . . A . 14 LYS H   . . . 11 . HG# . . . . . 14 . HN  . . rr_1dng 1 
       217 2 OR . 1 1 11 11 GLU HG3 H . . . 1 1 14 14 LYS H   H . . . . . 5.0 1.8  6.5 . . . . . A . 11 GLU HG3 . . A . 14 LYS H   . . . 11 . HG# . . . . . 14 . HN  . . rr_1dng 1 
       218 1  . . 1 1 12 12 LEU HB3 H . . . 1 1 14 14 LYS H   H . . . . . 5.0 1.8  5.5 . . . . . A . 12 LEU HB3 . . A . 14 LYS H   . . . 12 . HB1 . . . . . 14 . HN  . . rr_1dng 1 
       219 1  . . 1 1 12 12 LEU HB2 H . . . 1 1 14 14 LYS H   H . . . . . 5.0 1.8  5.5 . . . . . A . 12 LEU HB2 . . A . 14 LYS H   . . . 12 . HB2 . . . . . 14 . HN  . . rr_1dng 1 
       220 1 OR . 1 1 15 15 SER H   H . . . 1 1 12 12 LEU MD1 H . . . . . 5.0 1.8  7.9 . . . . . A . 12 LEU MD1 . . A . 15 SER H   . . . 12 . HD* . . . . . 15 . HN  . . rr_1dng 1 
       220 2 OR . 1 1 12 12 LEU MD2 H . . . 1 1 15 15 SER H   H . . . . . 5.0 1.8  7.9 . . . . . A . 12 LEU MD2 . . A . 15 SER H   . . . 12 . HD* . . . . . 15 . HN  . . rr_1dng 1 
    stop_

save_


save_CNS/XPLOR_distance_constraints_4_1
    _Distance_constraint_list.Sf_category         distance_constraints
    _Distance_constraint_list.Sf_framecode        CNS/XPLOR_distance_constraints_4_1
    _Distance_constraint_list.Entry_ID            rr_1dng
    _Distance_constraint_list.ID                  1
    _Distance_constraint_list.Constraint_type     NOE
    _Distance_constraint_list.Details             "Generated by Wattos"
    _Distance_constraint_list.Constraint_file_ID  1
    _Distance_constraint_list.Block_ID            4

    loop_
       _Distance_constraint_software.Software_ID
       _Distance_constraint_software.Software_label
       _Distance_constraint_software.Method_ID
       _Distance_constraint_software.Method_label
       _Distance_constraint_software.Entry_ID
       _Distance_constraint_software.Distance_constraint_list_ID

       . . . . rr_1dng 1 
    stop_

    loop_
       _Dist_constraint_tree.Constraint_ID
       _Dist_constraint_tree.Node_ID
       _Dist_constraint_tree.Down_node_ID
       _Dist_constraint_tree.Right_node_ID
       _Dist_constraint_tree.Logic_operation
       _Dist_constraint_tree.Entry_ID
       _Dist_constraint_tree.Distance_constraint_list_ID

         1 1 . .  . rr_1dng 1 
         2 1 . .  . rr_1dng 1 
         3 1 . .  . rr_1dng 1 
         4 1 . .  . rr_1dng 1 
         5 1 2 . OR rr_1dng 1 
         5 2 . 3  . rr_1dng 1 
         5 3 . .  . rr_1dng 1 
         6 1 . .  . rr_1dng 1 
         7 1 . .  . rr_1dng 1 
         8 1 . .  . rr_1dng 1 
         9 1 . .  . rr_1dng 1 
        10 1 2 . OR rr_1dng 1 
        10 2 . 3  . rr_1dng 1 
        10 3 . .  . rr_1dng 1 
        11 1 . .  . rr_1dng 1 
        12 1 . .  . rr_1dng 1 
        13 1 . .  . rr_1dng 1 
        14 1 2 . OR rr_1dng 1 
        14 2 . 3  . rr_1dng 1 
        14 3 . .  . rr_1dng 1 
        15 1 . .  . rr_1dng 1 
        16 1 . .  . rr_1dng 1 
        17 1 . .  . rr_1dng 1 
        18 1 . .  . rr_1dng 1 
        19 1 2 . OR rr_1dng 1 
        19 2 . 3  . rr_1dng 1 
        19 3 . .  . rr_1dng 1 
        20 1 . .  . rr_1dng 1 
        21 1 2 . OR rr_1dng 1 
        21 2 . 3  . rr_1dng 1 
        21 3 . .  . rr_1dng 1 
        22 1 . .  . rr_1dng 1 
        23 1 . .  . rr_1dng 1 
        24 1 2 . OR rr_1dng 1 
        24 2 . 3  . rr_1dng 1 
        24 3 . .  . rr_1dng 1 
        25 1 . .  . rr_1dng 1 
        26 1 . .  . rr_1dng 1 
        27 1 . .  . rr_1dng 1 
        28 1 2 . OR rr_1dng 1 
        28 2 . 3  . rr_1dng 1 
        28 3 . .  . rr_1dng 1 
        29 1 . .  . rr_1dng 1 
        30 1 . .  . rr_1dng 1 
        31 1 . .  . rr_1dng 1 
        32 1 2 . OR rr_1dng 1 
        32 2 . 3  . rr_1dng 1 
        32 3 . .  . rr_1dng 1 
        33 1 . .  . rr_1dng 1 
        34 1 . .  . rr_1dng 1 
        35 1 . .  . rr_1dng 1 
        36 1 . .  . rr_1dng 1 
        37 1 2 . OR rr_1dng 1 
        37 2 . 3  . rr_1dng 1 
        37 3 . .  . rr_1dng 1 
        38 1 . .  . rr_1dng 1 
        39 1 . .  . rr_1dng 1 
        40 1 . .  . rr_1dng 1 
        41 1 . .  . rr_1dng 1 
        42 1 . .  . rr_1dng 1 
        43 1 2 . OR rr_1dng 1 
        43 2 . 3  . rr_1dng 1 
        43 3 . .  . rr_1dng 1 
        44 1 . .  . rr_1dng 1 
        45 1 . .  . rr_1dng 1 
        46 1 . .  . rr_1dng 1 
        47 1 2 . OR rr_1dng 1 
        47 2 . 3  . rr_1dng 1 
        47 3 . .  . rr_1dng 1 
        48 1 2 . OR rr_1dng 1 
        48 2 . 3  . rr_1dng 1 
        48 3 . .  . rr_1dng 1 
        49 1 2 . OR rr_1dng 1 
        49 2 . 3  . rr_1dng 1 
        49 3 . .  . rr_1dng 1 
        50 1 2 . OR rr_1dng 1 
        50 2 . 3  . rr_1dng 1 
        50 3 . 4  . rr_1dng 1 
        50 4 . 5  . rr_1dng 1 
        50 5 . .  . rr_1dng 1 
        51 1 2 . OR rr_1dng 1 
        51 2 . 3  . rr_1dng 1 
        51 3 . 4  . rr_1dng 1 
        51 4 . 5  . rr_1dng 1 
        51 5 . .  . rr_1dng 1 
        52 1 . .  . rr_1dng 1 
        53 1 . .  . rr_1dng 1 
        54 1 . .  . rr_1dng 1 
        55 1 2 . OR rr_1dng 1 
        55 2 . 3  . rr_1dng 1 
        55 3 . .  . rr_1dng 1 
        56 1 . .  . rr_1dng 1 
        57 1 2 . OR rr_1dng 1 
        57 2 . 3  . rr_1dng 1 
        57 3 . .  . rr_1dng 1 
        58 1 . .  . rr_1dng 1 
        59 1 2 . OR rr_1dng 1 
        59 2 . 3  . rr_1dng 1 
        59 3 . .  . rr_1dng 1 
        60 1 . .  . rr_1dng 1 
        61 1 . .  . rr_1dng 1 
        62 1 2 . OR rr_1dng 1 
        62 2 . 3  . rr_1dng 1 
        62 3 . .  . rr_1dng 1 
        63 1 . .  . rr_1dng 1 
        64 1 . .  . rr_1dng 1 
        65 1 . .  . rr_1dng 1 
        66 1 . .  . rr_1dng 1 
        67 1 2 . OR rr_1dng 1 
        67 2 . 3  . rr_1dng 1 
        67 3 . .  . rr_1dng 1 
        68 1 2 . OR rr_1dng 1 
        68 2 . 3  . rr_1dng 1 
        68 3 . .  . rr_1dng 1 
        69 1 . .  . rr_1dng 1 
        70 1 2 . OR rr_1dng 1 
        70 2 . 3  . rr_1dng 1 
        70 3 . .  . rr_1dng 1 
        71 1 . .  . rr_1dng 1 
        72 1 . .  . rr_1dng 1 
        73 1 2 . OR rr_1dng 1 
        73 2 . 3  . rr_1dng 1 
        73 3 . .  . rr_1dng 1 
        74 1 . .  . rr_1dng 1 
        75 1 . .  . rr_1dng 1 
        76 1 2 . OR rr_1dng 1 
        76 2 . 3  . rr_1dng 1 
        76 3 . .  . rr_1dng 1 
        77 1 2 . OR rr_1dng 1 
        77 2 . 3  . rr_1dng 1 
        77 3 . .  . rr_1dng 1 
        78 1 2 . OR rr_1dng 1 
        78 2 . 3  . rr_1dng 1 
        78 3 . .  . rr_1dng 1 
        79 1 2 . OR rr_1dng 1 
        79 2 . 3  . rr_1dng 1 
        79 3 . .  . rr_1dng 1 
        80 1 . .  . rr_1dng 1 
        81 1 2 . OR rr_1dng 1 
        81 2 . 3  . rr_1dng 1 
        81 3 . .  . rr_1dng 1 
        82 1 . .  . rr_1dng 1 
        83 1 . .  . rr_1dng 1 
        84 1 . .  . rr_1dng 1 
        85 1 . .  . rr_1dng 1 
        86 1 2 . OR rr_1dng 1 
        86 2 . 3  . rr_1dng 1 
        86 3 . .  . rr_1dng 1 
        87 1 2 . OR rr_1dng 1 
        87 2 . 3  . rr_1dng 1 
        87 3 . .  . rr_1dng 1 
        88 1 . .  . rr_1dng 1 
        89 1 . .  . rr_1dng 1 
        90 1 2 . OR rr_1dng 1 
        90 2 . 3  . rr_1dng 1 
        90 3 . .  . rr_1dng 1 
        91 1 . .  . rr_1dng 1 
        92 1 . .  . rr_1dng 1 
        93 1 . .  . rr_1dng 1 
        94 1 . .  . rr_1dng 1 
        95 1 . .  . rr_1dng 1 
        96 1 2 . OR rr_1dng 1 
        96 2 . 3  . rr_1dng 1 
        96 3 . .  . rr_1dng 1 
        97 1 2 . OR rr_1dng 1 
        97 2 . 3  . rr_1dng 1 
        97 3 . .  . rr_1dng 1 
        98 1 . .  . rr_1dng 1 
        99 1 . .  . rr_1dng 1 
       100 1 . .  . rr_1dng 1 
       101 1 2 . OR rr_1dng 1 
       101 2 . 3  . rr_1dng 1 
       101 3 . .  . rr_1dng 1 
       102 1 . .  . rr_1dng 1 
       103 1 . .  . rr_1dng 1 
       104 1 2 . OR rr_1dng 1 
       104 2 . 3  . rr_1dng 1 
       104 3 . .  . rr_1dng 1 
       105 1 . .  . rr_1dng 1 
       106 1 . .  . rr_1dng 1 
       107 1 . .  . rr_1dng 1 
       108 1 2 . OR rr_1dng 1 
       108 2 . 3  . rr_1dng 1 
       108 3 . .  . rr_1dng 1 
       109 1 2 . OR rr_1dng 1 
       109 2 . 3  . rr_1dng 1 
       109 3 . .  . rr_1dng 1 
       110 1 2 . OR rr_1dng 1 
       110 2 . 3  . rr_1dng 1 
       110 3 . 4  . rr_1dng 1 
       110 4 . 5  . rr_1dng 1 
       110 5 . .  . rr_1dng 1 
       111 1 2 . OR rr_1dng 1 
       111 2 . 3  . rr_1dng 1 
       111 3 . .  . rr_1dng 1 
       112 1 2 . OR rr_1dng 1 
       112 2 . 3  . rr_1dng 1 
       112 3 . 4  . rr_1dng 1 
       112 4 . 5  . rr_1dng 1 
       112 5 . .  . rr_1dng 1 
       113 1 . .  . rr_1dng 1 
       114 1 . .  . rr_1dng 1 
       115 1 2 . OR rr_1dng 1 
       115 2 . 3  . rr_1dng 1 
       115 3 . .  . rr_1dng 1 
       116 1 2 . OR rr_1dng 1 
       116 2 . 3  . rr_1dng 1 
       116 3 . .  . rr_1dng 1 
       117 1 2 . OR rr_1dng 1 
       117 2 . 3  . rr_1dng 1 
       117 3 . .  . rr_1dng 1 
       118 1 2 . OR rr_1dng 1 
       118 2 . 3  . rr_1dng 1 
       118 3 . .  . rr_1dng 1 
       119 1 2 . OR rr_1dng 1 
       119 2 . 3  . rr_1dng 1 
       119 3 . .  . rr_1dng 1 
       120 1 . .  . rr_1dng 1 
       121 1 . .  . rr_1dng 1 
       122 1 . .  . rr_1dng 1 
       123 1 . .  . rr_1dng 1 
       124 1 . .  . rr_1dng 1 
       125 1 . .  . rr_1dng 1 
       126 1 . .  . rr_1dng 1 
       127 1 2 . OR rr_1dng 1 
       127 2 . 3  . rr_1dng 1 
       127 3 . .  . rr_1dng 1 
       128 1 2 . OR rr_1dng 1 
       128 2 . 3  . rr_1dng 1 
       128 3 . .  . rr_1dng 1 
       129 1 . .  . rr_1dng 1 
       130 1 2 . OR rr_1dng 1 
       130 2 . 3  . rr_1dng 1 
       130 3 . .  . rr_1dng 1 
       131 1 2 . OR rr_1dng 1 
       131 2 . 3  . rr_1dng 1 
       131 3 . .  . rr_1dng 1 
       132 1 . .  . rr_1dng 1 
       133 1 2 . OR rr_1dng 1 
       133 2 . 3  . rr_1dng 1 
       133 3 . .  . rr_1dng 1 
       134 1 . .  . rr_1dng 1 
       135 1 . .  . rr_1dng 1 
       136 1 . .  . rr_1dng 1 
       137 1 2 . OR rr_1dng 1 
       137 2 . 3  . rr_1dng 1 
       137 3 . .  . rr_1dng 1 
       138 1 2 . OR rr_1dng 1 
       138 2 . 3  . rr_1dng 1 
       138 3 . .  . rr_1dng 1 
       139 1 . .  . rr_1dng 1 
       140 1 2 . OR rr_1dng 1 
       140 2 . 3  . rr_1dng 1 
       140 3 . .  . rr_1dng 1 
       141 1 2 . OR rr_1dng 1 
       141 2 . 3  . rr_1dng 1 
       141 3 . .  . rr_1dng 1 
       142 1 . .  . rr_1dng 1 
       143 1 . .  . rr_1dng 1 
       144 1 2 . OR rr_1dng 1 
       144 2 . 3  . rr_1dng 1 
       144 3 . .  . rr_1dng 1 
       145 1 2 . OR rr_1dng 1 
       145 2 . 3  . rr_1dng 1 
       145 3 . .  . rr_1dng 1 
       146 1 . .  . rr_1dng 1 
       147 1 . .  . rr_1dng 1 
       148 1 . .  . rr_1dng 1 
       149 1 2 . OR rr_1dng 1 
       149 2 . 3  . rr_1dng 1 
       149 3 . .  . rr_1dng 1 
       150 1 . .  . rr_1dng 1 
       151 1 . .  . rr_1dng 1 
       152 1 . .  . rr_1dng 1 
       153 1 . .  . rr_1dng 1 
       154 1 . .  . rr_1dng 1 
       155 1 . .  . rr_1dng 1 
       156 1 2 . OR rr_1dng 1 
       156 2 . 3  . rr_1dng 1 
       156 3 . .  . rr_1dng 1 
       157 1 2 . OR rr_1dng 1 
       157 2 . 3  . rr_1dng 1 
       157 3 . .  . rr_1dng 1 
       158 1 . .  . rr_1dng 1 
       159 1 2 . OR rr_1dng 1 
       159 2 . 3  . rr_1dng 1 
       159 3 . .  . rr_1dng 1 
       160 1 . .  . rr_1dng 1 
       161 1 2 . OR rr_1dng 1 
       161 2 . 3  . rr_1dng 1 
       161 3 . .  . rr_1dng 1 
       162 1 . .  . rr_1dng 1 
       163 1 . .  . rr_1dng 1 
       164 1 . .  . rr_1dng 1 
       165 1 . .  . rr_1dng 1 
       166 1 . .  . rr_1dng 1 
       167 1 . .  . rr_1dng 1 
       168 1 2 . OR rr_1dng 1 
       168 2 . 3  . rr_1dng 1 
       168 3 . .  . rr_1dng 1 
       169 1 2 . OR rr_1dng 1 
       169 2 . 3  . rr_1dng 1 
       169 3 . .  . rr_1dng 1 
       170 1 . .  . rr_1dng 1 
       171 1 . .  . rr_1dng 1 
       172 1 2 . OR rr_1dng 1 
       172 2 . 3  . rr_1dng 1 
       172 3 . .  . rr_1dng 1 
       173 1 . .  . rr_1dng 1 
       174 1 2 . OR rr_1dng 1 
       174 2 . 3  . rr_1dng 1 
       174 3 . .  . rr_1dng 1 
       175 1 2 . OR rr_1dng 1 
       175 2 . 3  . rr_1dng 1 
       175 3 . 4  . rr_1dng 1 
       175 4 . 5  . rr_1dng 1 
       175 5 . .  . rr_1dng 1 
       176 1 . .  . rr_1dng 1 
       177 1 . .  . rr_1dng 1 
       178 1 2 . OR rr_1dng 1 
       178 2 . 3  . rr_1dng 1 
       178 3 . .  . rr_1dng 1 
       179 1 2 . OR rr_1dng 1 
       179 2 . 3  . rr_1dng 1 
       179 3 . .  . rr_1dng 1 
       180 1 . .  . rr_1dng 1 
       181 1 . .  . rr_1dng 1 
       182 1 . .  . rr_1dng 1 
       183 1 2 . OR rr_1dng 1 
       183 2 . 3  . rr_1dng 1 
       183 3 . .  . rr_1dng 1 
       184 1 2 . OR rr_1dng 1 
       184 2 . 3  . rr_1dng 1 
       184 3 . .  . rr_1dng 1 
       185 1 2 . OR rr_1dng 1 
       185 2 . 3  . rr_1dng 1 
       185 3 . .  . rr_1dng 1 
       186 1 2 . OR rr_1dng 1 
       186 2 . 3  . rr_1dng 1 
       186 3 . .  . rr_1dng 1 
       187 1 . .  . rr_1dng 1 
       188 1 2 . OR rr_1dng 1 
       188 2 . 3  . rr_1dng 1 
       188 3 . 4  . rr_1dng 1 
       188 4 . 5  . rr_1dng 1 
       188 5 . .  . rr_1dng 1 
       189 1 . .  . rr_1dng 1 
       190 1 2 . OR rr_1dng 1 
       190 2 . 3  . rr_1dng 1 
       190 3 . .  . rr_1dng 1 
       191 1 2 . OR rr_1dng 1 
       191 2 . 3  . rr_1dng 1 
       191 3 . 4  . rr_1dng 1 
       191 4 . 5  . rr_1dng 1 
       191 5 . .  . rr_1dng 1 
       192 1 2 . OR rr_1dng 1 
       192 2 . 3  . rr_1dng 1 
       192 3 . .  . rr_1dng 1 
       193 1 2 . OR rr_1dng 1 
       193 2 . 3  . rr_1dng 1 
       193 3 . .  . rr_1dng 1 
       194 1 . .  . rr_1dng 1 
       195 1 . .  . rr_1dng 1 
       196 1 . .  . rr_1dng 1 
       197 1 2 . OR rr_1dng 1 
       197 2 . 3  . rr_1dng 1 
       197 3 . .  . rr_1dng 1 
       198 1 . .  . rr_1dng 1 
       199 1 . .  . rr_1dng 1 
       200 1 . .  . rr_1dng 1 
       201 1 . .  . rr_1dng 1 
       202 1 . .  . rr_1dng 1 
       203 1 . .  . rr_1dng 1 
       204 1 . .  . rr_1dng 1 
       205 1 . .  . rr_1dng 1 
       206 1 . .  . rr_1dng 1 
       207 1 2 . OR rr_1dng 1 
       207 2 . 3  . rr_1dng 1 
       207 3 . .  . rr_1dng 1 
       208 1 2 . OR rr_1dng 1 
       208 2 . 3  . rr_1dng 1 
       208 3 . .  . rr_1dng 1 
       209 1 2 . OR rr_1dng 1 
       209 2 . 3  . rr_1dng 1 
       209 3 . 4  . rr_1dng 1 
       209 4 . 5  . rr_1dng 1 
       209 5 . .  . rr_1dng 1 
       210 1 2 . OR rr_1dng 1 
       210 2 . 3  . rr_1dng 1 
       210 3 . 4  . rr_1dng 1 
       210 4 . 5  . rr_1dng 1 
       210 5 . .  . rr_1dng 1 
       211 1 2 . OR rr_1dng 1 
       211 2 . 3  . rr_1dng 1 
       211 3 . .  . rr_1dng 1 
       212 1 2 . OR rr_1dng 1 
       212 2 . 3  . rr_1dng 1 
       212 3 . .  . rr_1dng 1 
       213 1 2 . OR rr_1dng 1 
       213 2 . 3  . rr_1dng 1 
       213 3 . .  . rr_1dng 1 
       214 1 2 . OR rr_1dng 1 
       214 2 . 3  . rr_1dng 1 
       214 3 . .  . rr_1dng 1 
       215 1 . .  . rr_1dng 1 
       216 1 2 . OR rr_1dng 1 
       216 2 . 3  . rr_1dng 1 
       216 3 . .  . rr_1dng 1 
       217 1 2 . OR rr_1dng 1 
       217 2 . 3  . rr_1dng 1 
       217 3 . .  . rr_1dng 1 
       218 1 . .  . rr_1dng 1 
       219 1 . .  . rr_1dng 1 
       220 1 2 . OR rr_1dng 1 
       220 2 . 3  . rr_1dng 1 
       220 3 . .  . rr_1dng 1 
    stop_

    loop_
       _Dist_constraint.Tree_node_member_constraint_ID
       _Dist_constraint.Tree_node_member_node_ID
       _Dist_constraint.Contribution_fractional_val
       _Dist_constraint.Constraint_tree_node_member_ID
       _Dist_constraint.Assembly_atom_ID
       _Dist_constraint.Entity_assembly_ID
       _Dist_constraint.Entity_ID
       _Dist_constraint.Comp_index_ID
       _Dist_constraint.Seq_ID
       _Dist_constraint.Comp_ID
       _Dist_constraint.Atom_ID
       _Dist_constraint.Atom_type
       _Dist_constraint.Atom_isotope_number
       _Dist_constraint.Resonance_ID
       _Dist_constraint.Auth_asym_ID
       _Dist_constraint.Auth_entity_assembly_ID
       _Dist_constraint.Auth_seq_ID
       _Dist_constraint.Auth_comp_ID
       _Dist_constraint.Auth_atom_ID
       _Dist_constraint.Entry_ID
       _Dist_constraint.Distance_constraint_list_ID

         1 1 . 1 . 1 1  1  1 GLN HA  H . . . .  1 . HA  rr_1dng 1 
         1 1 . 2 . 1 1  2  2 ALA H   H . . . .  2 . HN  rr_1dng 1 
         2 1 . 1 . 1 1  1  1 GLN HA  H . . . .  1 . HA  rr_1dng 1 
         2 1 . 2 . 1 1  2  2 ALA HA  H . . . .  2 . HA  rr_1dng 1 
         3 1 . 1 . 1 1  1  1 GLN HB3 H . . . .  1 . HB1 rr_1dng 1 
         3 1 . 2 . 1 1  2  2 ALA H   H . . . .  2 . HN  rr_1dng 1 
         4 1 . 1 . 1 1  1  1 GLN HB2 H . . . .  1 . HB2 rr_1dng 1 
         4 1 . 2 . 1 1  2  2 ALA H   H . . . .  2 . HN  rr_1dng 1 
         5 2 . 1 . 1 1  1  1 GLN HG2 H . . . .  1 . HG# rr_1dng 1 
         5 2 . 2 . 1 1  2  2 ALA H   H . . . .  2 . HN  rr_1dng 1 
         5 3 . 1 . 1 1  1  1 GLN HG3 H . . . .  1 . HG# rr_1dng 1 
         5 3 . 2 . 1 1  2  2 ALA H   H . . . .  2 . HN  rr_1dng 1 
         6 1 . 1 . 1 1  2  2 ALA H   H . . . .  2 . HN  rr_1dng 1 
         6 1 . 2 . 1 1  3  3 PRO HD3 H . . . .  3 . HD1 rr_1dng 1 
         7 1 . 1 . 1 1  2  2 ALA H   H . . . .  2 . HN  rr_1dng 1 
         7 1 . 2 . 1 1  3  3 PRO HD2 H . . . .  3 . HD2 rr_1dng 1 
         8 1 . 1 . 1 1  2  2 ALA HA  H . . . .  2 . HA  rr_1dng 1 
         8 1 . 2 . 1 1  3  3 PRO HB3 H . . . .  3 . HB1 rr_1dng 1 
         9 1 . 1 . 1 1  2  2 ALA HA  H . . . .  2 . HA  rr_1dng 1 
         9 1 . 2 . 1 1  3  3 PRO HB2 H . . . .  3 . HB2 rr_1dng 1 
        10 2 . 1 . 1 1  2  2 ALA HA  H . . . .  2 . HA  rr_1dng 1 
        10 2 . 2 . 1 1  3  3 PRO HG2 H . . . .  3 . HG# rr_1dng 1 
        10 3 . 1 . 1 1  2  2 ALA HA  H . . . .  2 . HA  rr_1dng 1 
        10 3 . 2 . 1 1  3  3 PRO HG3 H . . . .  3 . HG# rr_1dng 1 
        11 1 . 1 . 1 1  2  2 ALA HA  H . . . .  2 . HA  rr_1dng 1 
        11 1 . 2 . 1 1  3  3 PRO HD3 H . . . .  3 . HD1 rr_1dng 1 
        12 1 . 1 . 1 1  2  2 ALA HA  H . . . .  2 . HA  rr_1dng 1 
        12 1 . 2 . 1 1  3  3 PRO HD2 H . . . .  3 . HD2 rr_1dng 1 
        13 1 . 1 . 1 1  2  2 ALA MB  H . . . .  2 . HB# rr_1dng 1 
        13 1 . 2 . 1 1  3  3 PRO HA  H . . . .  3 . HA  rr_1dng 1 
        14 2 . 1 . 1 1  2  2 ALA MB  H . . . .  2 . HB# rr_1dng 1 
        14 2 . 2 . 1 1  3  3 PRO HG2 H . . . .  3 . HG# rr_1dng 1 
        14 3 . 1 . 1 1  2  2 ALA MB  H . . . .  2 . HB# rr_1dng 1 
        14 3 . 2 . 1 1  3  3 PRO HG3 H . . . .  3 . HG# rr_1dng 1 
        15 1 . 1 . 1 1  2  2 ALA MB  H . . . .  2 . HB# rr_1dng 1 
        15 1 . 2 . 1 1  3  3 PRO HD3 H . . . .  3 . HD1 rr_1dng 1 
        16 1 . 1 . 1 1  2  2 ALA MB  H . . . .  2 . HB# rr_1dng 1 
        16 1 . 2 . 1 1  3  3 PRO HD2 H . . . .  3 . HD2 rr_1dng 1 
        17 1 . 1 . 1 1  2  2 ALA HA  H . . . .  2 . HA  rr_1dng 1 
        17 1 . 2 . 1 1  4  4 ALA H   H . . . .  4 . HN  rr_1dng 1 
        18 1 . 1 . 1 1  2  2 ALA HA  H . . . .  2 . HA  rr_1dng 1 
        18 1 . 2 . 1 1  5  5 TYR H   H . . . .  5 . HN  rr_1dng 1 
        19 2 . 1 . 1 1  2  2 ALA HA  H . . . .  2 . HA  rr_1dng 1 
        19 2 . 2 . 1 1  5  5 TYR HB2 H . . . .  5 . HB# rr_1dng 1 
        19 3 . 1 . 1 1  2  2 ALA HA  H . . . .  2 . HA  rr_1dng 1 
        19 3 . 2 . 1 1  5  5 TYR HB3 H . . . .  5 . HB# rr_1dng 1 
        20 1 . 1 . 1 1  2  2 ALA HA  H . . . .  2 . HA  rr_1dng 1 
        20 1 . 2 . 1 1  5  5 TYR QD  H . . . .  5 . HD* rr_1dng 1 
        21 2 . 1 . 1 1  2  2 ALA MB  H . . . .  2 . HB# rr_1dng 1 
        21 2 . 2 . 1 1  5  5 TYR HB2 H . . . .  5 . HB# rr_1dng 1 
        21 3 . 1 . 1 1  2  2 ALA MB  H . . . .  2 . HB# rr_1dng 1 
        21 3 . 2 . 1 1  5  5 TYR HB3 H . . . .  5 . HB# rr_1dng 1 
        22 1 . 1 . 1 1  2  2 ALA MB  H . . . .  2 . HB# rr_1dng 1 
        22 1 . 2 . 1 1  5  5 TYR QD  H . . . .  5 . HD* rr_1dng 1 
        23 1 . 1 . 1 1  2  2 ALA MB  H . . . .  2 . HB# rr_1dng 1 
        23 1 . 2 . 1 1  5  5 TYR QE  H . . . .  5 . HE* rr_1dng 1 
        24 2 . 1 . 1 1  2  2 ALA HA  H . . . .  2 . HA  rr_1dng 1 
        24 2 . 2 . 1 1  6  6 GLU HG2 H . . . .  6 . HG# rr_1dng 1 
        24 3 . 1 . 1 1  2  2 ALA HA  H . . . .  2 . HA  rr_1dng 1 
        24 3 . 2 . 1 1  6  6 GLU HG3 H . . . .  6 . HG# rr_1dng 1 
        25 1 . 1 . 1 1  3  3 PRO HA  H . . . .  3 . HA  rr_1dng 1 
        25 1 . 2 . 1 1  4  4 ALA H   H . . . .  4 . HN  rr_1dng 1 
        26 1 . 1 . 1 1  3  3 PRO HB3 H . . . .  3 . HB1 rr_1dng 1 
        26 1 . 2 . 1 1  4  4 ALA H   H . . . .  4 . HN  rr_1dng 1 
        27 1 . 1 . 1 1  3  3 PRO HB2 H . . . .  3 . HB2 rr_1dng 1 
        27 1 . 2 . 1 1  4  4 ALA H   H . . . .  4 . HN  rr_1dng 1 
        28 2 . 1 . 1 1  3  3 PRO HG2 H . . . .  3 . HG# rr_1dng 1 
        28 2 . 2 . 1 1  4  4 ALA H   H . . . .  4 . HN  rr_1dng 1 
        28 3 . 1 . 1 1  3  3 PRO HG3 H . . . .  3 . HG# rr_1dng 1 
        28 3 . 2 . 1 1  4  4 ALA H   H . . . .  4 . HN  rr_1dng 1 
        29 1 . 1 . 1 1  3  3 PRO HD3 H . . . .  3 . HD1 rr_1dng 1 
        29 1 . 2 . 1 1  4  4 ALA H   H . . . .  4 . HN  rr_1dng 1 
        30 1 . 1 . 1 1  3  3 PRO HD2 H . . . .  3 . HD2 rr_1dng 1 
        30 1 . 2 . 1 1  4  4 ALA H   H . . . .  4 . HN  rr_1dng 1 
        31 1 . 1 . 1 1  3  3 PRO HB3 H . . . .  3 . HB1 rr_1dng 1 
        31 1 . 2 . 1 1  5  5 TYR QD  H . . . .  5 . HD* rr_1dng 1 
        32 2 . 1 . 1 1  3  3 PRO HB2 H . . . .  3 . HB2 rr_1dng 1 
        32 2 . 2 . 1 1  5  5 TYR HB2 H . . . .  5 . HB# rr_1dng 1 
        32 3 . 1 . 1 1  3  3 PRO HB2 H . . . .  3 . HB2 rr_1dng 1 
        32 3 . 2 . 1 1  5  5 TYR HB3 H . . . .  5 . HB# rr_1dng 1 
        33 1 . 1 . 1 1  3  3 PRO HB2 H . . . .  3 . HB2 rr_1dng 1 
        33 1 . 2 . 1 1  5  5 TYR QD  H . . . .  5 . HD* rr_1dng 1 
        34 1 . 1 . 1 1  3  3 PRO HB2 H . . . .  3 . HB2 rr_1dng 1 
        34 1 . 2 . 1 1  5  5 TYR QE  H . . . .  5 . HE* rr_1dng 1 
        35 1 . 1 . 1 1  3  3 PRO HB2 H . . . .  3 . HB2 rr_1dng 1 
        35 1 . 2 . 1 1  6  6 GLU H   H . . . .  6 . HN  rr_1dng 1 
        36 1 . 1 . 1 1  4  4 ALA H   H . . . .  4 . HN  rr_1dng 1 
        36 1 . 2 . 1 1  5  5 TYR H   H . . . .  5 . HN  rr_1dng 1 
        37 2 . 1 . 1 1  4  4 ALA HA  H . . . .  4 . HA  rr_1dng 1 
        37 2 . 2 . 1 1  5  5 TYR HB2 H . . . .  5 . HB# rr_1dng 1 
        37 3 . 1 . 1 1  4  4 ALA HA  H . . . .  4 . HA  rr_1dng 1 
        37 3 . 2 . 1 1  5  5 TYR HB3 H . . . .  5 . HB# rr_1dng 1 
        38 1 . 1 . 1 1  4  4 ALA HA  H . . . .  4 . HA  rr_1dng 1 
        38 1 . 2 . 1 1  5  5 TYR QD  H . . . .  5 . HD* rr_1dng 1 
        39 1 . 1 . 1 1  4  4 ALA MB  H . . . .  4 . HB# rr_1dng 1 
        39 1 . 2 . 1 1  5  5 TYR H   H . . . .  5 . HN  rr_1dng 1 
        40 1 . 1 . 1 1  4  4 ALA HA  H . . . .  4 . HA  rr_1dng 1 
        40 1 . 2 . 1 1  6  6 GLU H   H . . . .  6 . HN  rr_1dng 1 
        41 1 . 1 . 1 1  4  4 ALA MB  H . . . .  4 . HB# rr_1dng 1 
        41 1 . 2 . 1 1  6  6 GLU H   H . . . .  6 . HN  rr_1dng 1 
        42 1 . 1 . 1 1  4  4 ALA HA  H . . . .  4 . HA  rr_1dng 1 
        42 1 . 2 . 1 1  7  7 GLU H   H . . . .  7 . HN  rr_1dng 1 
        43 2 . 1 . 1 1  4  4 ALA HA  H . . . .  4 . HA  rr_1dng 1 
        43 2 . 2 . 1 1  7  7 GLU HB2 H . . . .  7 . HB# rr_1dng 1 
        43 3 . 1 . 1 1  4  4 ALA HA  H . . . .  4 . HA  rr_1dng 1 
        43 3 . 2 . 1 1  7  7 GLU HB3 H . . . .  7 . HB# rr_1dng 1 
        44 1 . 1 . 1 1  4  4 ALA HA  H . . . .  4 . HA  rr_1dng 1 
        44 1 . 2 . 1 1  8  8 ALA H   H . . . .  8 . HN  rr_1dng 1 
        45 1 . 1 . 1 1  5  5 TYR H   H . . . .  5 . HN  rr_1dng 1 
        45 1 . 2 . 1 1  6  6 GLU H   H . . . .  6 . HN  rr_1dng 1 
        46 1 . 1 . 1 1  5  5 TYR HA  H . . . .  5 . HA  rr_1dng 1 
        46 1 . 2 . 1 1  6  6 GLU H   H . . . .  6 . HN  rr_1dng 1 
        47 2 . 1 . 1 1  5  5 TYR HA  H . . . .  5 . HA  rr_1dng 1 
        47 2 . 2 . 1 1  6  6 GLU HB2 H . . . .  6 . HB# rr_1dng 1 
        47 3 . 1 . 1 1  5  5 TYR HA  H . . . .  5 . HA  rr_1dng 1 
        47 3 . 2 . 1 1  6  6 GLU HB3 H . . . .  6 . HB# rr_1dng 1 
        48 2 . 1 . 1 1  5  5 TYR HB2 H . . . .  5 . HB# rr_1dng 1 
        48 2 . 2 . 1 1  6  6 GLU H   H . . . .  6 . HN  rr_1dng 1 
        48 3 . 1 . 1 1  5  5 TYR HB3 H . . . .  5 . HB# rr_1dng 1 
        48 3 . 2 . 1 1  6  6 GLU H   H . . . .  6 . HN  rr_1dng 1 
        49 2 . 1 . 1 1  5  5 TYR HB2 H . . . .  5 . HB# rr_1dng 1 
        49 2 . 2 . 1 1  6  6 GLU HA  H . . . .  6 . HA  rr_1dng 1 
        49 3 . 1 . 1 1  5  5 TYR HB3 H . . . .  5 . HB# rr_1dng 1 
        49 3 . 2 . 1 1  6  6 GLU HA  H . . . .  6 . HA  rr_1dng 1 
        50 2 . 1 . 1 1  5  5 TYR HB2 H . . . .  5 . HB# rr_1dng 1 
        50 2 . 2 . 1 1  6  6 GLU HB2 H . . . .  6 . HB# rr_1dng 1 
        50 3 . 1 . 1 1  5  5 TYR HB3 H . . . .  5 . HB# rr_1dng 1 
        50 3 . 2 . 1 1  6  6 GLU HB2 H . . . .  6 . HB# rr_1dng 1 
        50 4 . 1 . 1 1  5  5 TYR HB2 H . . . .  5 . HB# rr_1dng 1 
        50 4 . 2 . 1 1  6  6 GLU HB3 H . . . .  6 . HB# rr_1dng 1 
        50 5 . 1 . 1 1  5  5 TYR HB3 H . . . .  5 . HB# rr_1dng 1 
        50 5 . 2 . 1 1  6  6 GLU HB3 H . . . .  6 . HB# rr_1dng 1 
        51 2 . 1 . 1 1  5  5 TYR HB2 H . . . .  5 . HB# rr_1dng 1 
        51 2 . 2 . 1 1  6  6 GLU HG2 H . . . .  6 . HG# rr_1dng 1 
        51 3 . 1 . 1 1  5  5 TYR HB3 H . . . .  5 . HB# rr_1dng 1 
        51 3 . 2 . 1 1  6  6 GLU HG2 H . . . .  6 . HG# rr_1dng 1 
        51 4 . 1 . 1 1  5  5 TYR HB2 H . . . .  5 . HB# rr_1dng 1 
        51 4 . 2 . 1 1  6  6 GLU HG3 H . . . .  6 . HG# rr_1dng 1 
        51 5 . 1 . 1 1  5  5 TYR HB3 H . . . .  5 . HB# rr_1dng 1 
        51 5 . 2 . 1 1  6  6 GLU HG3 H . . . .  6 . HG# rr_1dng 1 
        52 1 . 1 . 1 1  5  5 TYR QD  H . . . .  5 . HD* rr_1dng 1 
        52 1 . 2 . 1 1  6  6 GLU H   H . . . .  6 . HN  rr_1dng 1 
        53 1 . 1 . 1 1  5  5 TYR QD  H . . . .  5 . HD* rr_1dng 1 
        53 1 . 2 . 1 1  6  6 GLU HA  H . . . .  6 . HA  rr_1dng 1 
        54 1 . 1 . 1 1  5  5 TYR QE  H . . . .  5 . HE* rr_1dng 1 
        54 1 . 2 . 1 1  6  6 GLU HA  H . . . .  6 . HA  rr_1dng 1 
        55 2 . 1 . 1 1  5  5 TYR HB2 H . . . .  5 . HB# rr_1dng 1 
        55 2 . 2 . 1 1  7  7 GLU H   H . . . .  7 . HN  rr_1dng 1 
        55 3 . 1 . 1 1  5  5 TYR HB3 H . . . .  5 . HB# rr_1dng 1 
        55 3 . 2 . 1 1  7  7 GLU H   H . . . .  7 . HN  rr_1dng 1 
        56 1 . 1 . 1 1  5  5 TYR QD  H . . . .  5 . HD* rr_1dng 1 
        56 1 . 2 . 1 1  7  7 GLU H   H . . . .  7 . HN  rr_1dng 1 
        57 2 . 1 . 1 1  5  5 TYR QD  H . . . .  5 . HD* rr_1dng 1 
        57 2 . 2 . 1 1  7  7 GLU HB2 H . . . .  7 . HB# rr_1dng 1 
        57 3 . 1 . 1 1  5  5 TYR QD  H . . . .  5 . HD* rr_1dng 1 
        57 3 . 2 . 1 1  7  7 GLU HB3 H . . . .  7 . HB# rr_1dng 1 
        58 1 . 1 . 1 1  5  5 TYR QE  H . . . .  5 . HE* rr_1dng 1 
        58 1 . 2 . 1 1  7  7 GLU HA  H . . . .  7 . HA  rr_1dng 1 
        59 2 . 1 . 1 1  5  5 TYR QE  H . . . .  5 . HE* rr_1dng 1 
        59 2 . 2 . 1 1  7  7 GLU HB2 H . . . .  7 . HB# rr_1dng 1 
        59 3 . 1 . 1 1  5  5 TYR QE  H . . . .  5 . HE* rr_1dng 1 
        59 3 . 2 . 1 1  7  7 GLU HB3 H . . . .  7 . HB# rr_1dng 1 
        60 1 . 1 . 1 1  5  5 TYR HA  H . . . .  5 . HA  rr_1dng 1 
        60 1 . 2 . 1 1  8  8 ALA H   H . . . .  8 . HN  rr_1dng 1 
        61 1 . 1 . 1 1  5  5 TYR HA  H . . . .  5 . HA  rr_1dng 1 
        61 1 . 2 . 1 1  8  8 ALA MB  H . . . .  8 . HB# rr_1dng 1 
        62 2 . 1 . 1 1  5  5 TYR HB2 H . . . .  5 . HB# rr_1dng 1 
        62 2 . 2 . 1 1  8  8 ALA H   H . . . .  8 . HN  rr_1dng 1 
        62 3 . 1 . 1 1  5  5 TYR HB3 H . . . .  5 . HB# rr_1dng 1 
        62 3 . 2 . 1 1  8  8 ALA H   H . . . .  8 . HN  rr_1dng 1 
        63 1 . 1 . 1 1  5  5 TYR QD  H . . . .  5 . HD* rr_1dng 1 
        63 1 . 2 . 1 1  8  8 ALA H   H . . . .  8 . HN  rr_1dng 1 
        64 1 . 1 . 1 1  5  5 TYR QE  H . . . .  5 . HE* rr_1dng 1 
        64 1 . 2 . 1 1  8  8 ALA H   H . . . .  8 . HN  rr_1dng 1 
        65 1 . 1 . 1 1  6  6 GLU H   H . . . .  6 . HN  rr_1dng 1 
        65 1 . 2 . 1 1  7  7 GLU H   H . . . .  7 . HN  rr_1dng 1 
        66 1 . 1 . 1 1  6  6 GLU HA  H . . . .  6 . HA  rr_1dng 1 
        66 1 . 2 . 1 1  7  7 GLU H   H . . . .  7 . HN  rr_1dng 1 
        67 2 . 1 . 1 1  6  6 GLU HB2 H . . . .  6 . HB# rr_1dng 1 
        67 2 . 2 . 1 1  7  7 GLU H   H . . . .  7 . HN  rr_1dng 1 
        67 3 . 1 . 1 1  6  6 GLU HB3 H . . . .  6 . HB# rr_1dng 1 
        67 3 . 2 . 1 1  7  7 GLU H   H . . . .  7 . HN  rr_1dng 1 
        68 2 . 1 . 1 1  6  6 GLU HG2 H . . . .  6 . HG# rr_1dng 1 
        68 2 . 2 . 1 1  7  7 GLU H   H . . . .  7 . HN  rr_1dng 1 
        68 3 . 1 . 1 1  6  6 GLU HG3 H . . . .  6 . HG# rr_1dng 1 
        68 3 . 2 . 1 1  7  7 GLU H   H . . . .  7 . HN  rr_1dng 1 
        69 1 . 1 . 1 1  6  6 GLU H   H . . . .  6 . HN  rr_1dng 1 
        69 1 . 2 . 1 1  8  8 ALA H   H . . . .  8 . HN  rr_1dng 1 
        70 2 . 1 . 1 1  6  6 GLU HB2 H . . . .  6 . HB# rr_1dng 1 
        70 2 . 2 . 1 1  8  8 ALA H   H . . . .  8 . HN  rr_1dng 1 
        70 3 . 1 . 1 1  6  6 GLU HB3 H . . . .  6 . HB# rr_1dng 1 
        70 3 . 2 . 1 1  8  8 ALA H   H . . . .  8 . HN  rr_1dng 1 
        71 1 . 1 . 1 1  6  6 GLU HA  H . . . .  6 . HA  rr_1dng 1 
        71 1 . 2 . 1 1  9  9 ALA H   H . . . .  9 . HN  rr_1dng 1 
        72 1 . 1 . 1 1  6  6 GLU HA  H . . . .  6 . HA  rr_1dng 1 
        72 1 . 2 . 1 1  9  9 ALA MB  H . . . .  9 . HB# rr_1dng 1 
        73 2 . 1 . 1 1  6  6 GLU HB2 H . . . .  6 . HB# rr_1dng 1 
        73 2 . 2 . 1 1  9  9 ALA H   H . . . .  9 . HN  rr_1dng 1 
        73 3 . 1 . 1 1  6  6 GLU HB3 H . . . .  6 . HB# rr_1dng 1 
        73 3 . 2 . 1 1  9  9 ALA H   H . . . .  9 . HN  rr_1dng 1 
        74 1 . 1 . 1 1  7  7 GLU H   H . . . .  7 . HN  rr_1dng 1 
        74 1 . 2 . 1 1  8  8 ALA H   H . . . .  8 . HN  rr_1dng 1 
        75 1 . 1 . 1 1  7  7 GLU HA  H . . . .  7 . HA  rr_1dng 1 
        75 1 . 2 . 1 1  8  8 ALA H   H . . . .  8 . HN  rr_1dng 1 
        76 2 . 1 . 1 1  7  7 GLU HB2 H . . . .  7 . HB# rr_1dng 1 
        76 2 . 2 . 1 1  8  8 ALA H   H . . . .  8 . HN  rr_1dng 1 
        76 3 . 1 . 1 1  7  7 GLU HB3 H . . . .  7 . HB# rr_1dng 1 
        76 3 . 2 . 1 1  8  8 ALA H   H . . . .  8 . HN  rr_1dng 1 
        77 2 . 1 . 1 1  7  7 GLU HG2 H . . . .  7 . HG# rr_1dng 1 
        77 2 . 2 . 1 1  8  8 ALA H   H . . . .  8 . HN  rr_1dng 1 
        77 3 . 1 . 1 1  7  7 GLU HG3 H . . . .  7 . HG# rr_1dng 1 
        77 3 . 2 . 1 1  8  8 ALA H   H . . . .  8 . HN  rr_1dng 1 
        78 2 . 1 . 1 1  7  7 GLU HB2 H . . . .  7 . HB# rr_1dng 1 
        78 2 . 2 . 1 1  9  9 ALA H   H . . . .  9 . HN  rr_1dng 1 
        78 3 . 1 . 1 1  7  7 GLU HB3 H . . . .  7 . HB# rr_1dng 1 
        78 3 . 2 . 1 1  9  9 ALA H   H . . . .  9 . HN  rr_1dng 1 
        79 2 . 1 . 1 1  7  7 GLU HG2 H . . . .  7 . HG# rr_1dng 1 
        79 2 . 2 . 1 1  9  9 ALA H   H . . . .  9 . HN  rr_1dng 1 
        79 3 . 1 . 1 1  7  7 GLU HG3 H . . . .  7 . HG# rr_1dng 1 
        79 3 . 2 . 1 1  9  9 ALA H   H . . . .  9 . HN  rr_1dng 1 
        80 1 . 1 . 1 1  7  7 GLU HA  H . . . .  7 . HA  rr_1dng 1 
        80 1 . 2 . 1 1 10 10 GLU H   H . . . . 10 . HN  rr_1dng 1 
        81 2 . 1 . 1 1  7  7 GLU HA  H . . . .  7 . HA  rr_1dng 1 
        81 2 . 2 . 1 1 10 10 GLU HB2 H . . . . 10 . HB# rr_1dng 1 
        81 3 . 1 . 1 1  7  7 GLU HA  H . . . .  7 . HA  rr_1dng 1 
        81 3 . 2 . 1 1 10 10 GLU HB3 H . . . . 10 . HB# rr_1dng 1 
        82 1 . 1 . 1 1  7  7 GLU HA  H . . . .  7 . HA  rr_1dng 1 
        82 1 . 2 . 1 1 10 10 GLU HG3 H . . . . 10 . HG1 rr_1dng 1 
        83 1 . 1 . 1 1  8  8 ALA H   H . . . .  8 . HN  rr_1dng 1 
        83 1 . 2 . 1 1  9  9 ALA H   H . . . .  9 . HN  rr_1dng 1 
        84 1 . 1 . 1 1  8  8 ALA HA  H . . . .  8 . HA  rr_1dng 1 
        84 1 . 2 . 1 1  9  9 ALA H   H . . . .  9 . HN  rr_1dng 1 
        85 1 . 1 . 1 1  8  8 ALA HA  H . . . .  8 . HA  rr_1dng 1 
        85 1 . 2 . 1 1 11 11 GLU H   H . . . . 11 . HN  rr_1dng 1 
        86 2 . 1 . 1 1  8  8 ALA HA  H . . . .  8 . HA  rr_1dng 1 
        86 2 . 2 . 1 1 11 11 GLU HB2 H . . . . 11 . HB# rr_1dng 1 
        86 3 . 1 . 1 1  8  8 ALA HA  H . . . .  8 . HA  rr_1dng 1 
        86 3 . 2 . 1 1 11 11 GLU HB3 H . . . . 11 . HB# rr_1dng 1 
        87 2 . 1 . 1 1  8  8 ALA HA  H . . . .  8 . HA  rr_1dng 1 
        87 2 . 2 . 1 1 11 11 GLU HG2 H . . . . 11 . HG# rr_1dng 1 
        87 3 . 1 . 1 1  8  8 ALA HA  H . . . .  8 . HA  rr_1dng 1 
        87 3 . 2 . 1 1 11 11 GLU HG3 H . . . . 11 . HG# rr_1dng 1 
        88 1 . 1 . 1 1  8  8 ALA HA  H . . . .  8 . HA  rr_1dng 1 
        88 1 . 2 . 1 1 12 12 LEU H   H . . . . 12 . HN  rr_1dng 1 
        89 1 . 1 . 1 1  9  9 ALA H   H . . . .  9 . HN  rr_1dng 1 
        89 1 . 2 . 1 1 10 10 GLU H   H . . . . 10 . HN  rr_1dng 1 
        90 2 . 1 . 1 1  9  9 ALA MB  H . . . .  9 . HB# rr_1dng 1 
        90 2 . 2 . 1 1 10 10 GLU HB2 H . . . . 10 . HB# rr_1dng 1 
        90 3 . 1 . 1 1  9  9 ALA MB  H . . . .  9 . HB# rr_1dng 1 
        90 3 . 2 . 1 1 10 10 GLU HB3 H . . . . 10 . HB# rr_1dng 1 
        91 1 . 1 . 1 1  9  9 ALA H   H . . . .  9 . HN  rr_1dng 1 
        91 1 . 2 . 1 1 11 11 GLU H   H . . . . 11 . HN  rr_1dng 1 
        92 1 . 1 . 1 1  9  9 ALA HA  H . . . .  9 . HA  rr_1dng 1 
        92 1 . 2 . 1 1 12 12 LEU H   H . . . . 12 . HN  rr_1dng 1 
        93 1 . 1 . 1 1  9  9 ALA HA  H . . . .  9 . HA  rr_1dng 1 
        93 1 . 2 . 1 1 12 12 LEU HB3 H . . . . 12 . HB1 rr_1dng 1 
        94 1 . 1 . 1 1  9  9 ALA HA  H . . . .  9 . HA  rr_1dng 1 
        94 1 . 2 . 1 1 12 12 LEU HB2 H . . . . 12 . HB2 rr_1dng 1 
        95 1 . 1 . 1 1  9  9 ALA HA  H . . . .  9 . HA  rr_1dng 1 
        95 1 . 2 . 1 1 12 12 LEU HG  H . . . . 12 . HG  rr_1dng 1 
        96 2 . 1 . 1 1  9  9 ALA HA  H . . . .  9 . HA  rr_1dng 1 
        96 2 . 2 . 1 1 12 12 LEU MD1 H . . . . 12 . HD* rr_1dng 1 
        96 3 . 1 . 1 1  9  9 ALA HA  H . . . .  9 . HA  rr_1dng 1 
        96 3 . 2 . 1 1 12 12 LEU MD2 H . . . . 12 . HD* rr_1dng 1 
        97 2 . 1 . 1 1  9  9 ALA MB  H . . . .  9 . HB# rr_1dng 1 
        97 2 . 2 . 1 1 12 12 LEU MD1 H . . . . 12 . HD* rr_1dng 1 
        97 3 . 1 . 1 1  9  9 ALA MB  H . . . .  9 . HB# rr_1dng 1 
        97 3 . 2 . 1 1 12 12 LEU MD2 H . . . . 12 . HD* rr_1dng 1 
        98 1 . 1 . 1 1 10 10 GLU H   H . . . . 10 . HN  rr_1dng 1 
        98 1 . 2 . 1 1 11 11 GLU H   H . . . . 11 . HN  rr_1dng 1 
        99 1 . 1 . 1 1 10 10 GLU HA  H . . . . 10 . HA  rr_1dng 1 
        99 1 . 2 . 1 1 11 11 GLU H   H . . . . 11 . HN  rr_1dng 1 
       100 1 . 1 . 1 1 10 10 GLU H   H . . . . 10 . HN  rr_1dng 1 
       100 1 . 2 . 1 1 12 12 LEU H   H . . . . 12 . HN  rr_1dng 1 
       101 2 . 1 . 1 1 10 10 GLU H   H . . . . 10 . HN  rr_1dng 1 
       101 2 . 2 . 1 1 12 12 LEU MD1 H . . . . 12 . HD* rr_1dng 1 
       101 3 . 1 . 1 1 10 10 GLU H   H . . . . 10 . HN  rr_1dng 1 
       101 3 . 2 . 1 1 12 12 LEU MD2 H . . . . 12 . HD* rr_1dng 1 
       102 1 . 1 . 1 1 10 10 GLU H   H . . . . 10 . HN  rr_1dng 1 
       102 1 . 2 . 1 1 13 13 ALA MB  H . . . . 13 . HB# rr_1dng 1 
       103 1 . 1 . 1 1 10 10 GLU HA  H . . . . 10 . HA  rr_1dng 1 
       103 1 . 2 . 1 1 13 13 ALA MB  H . . . . 13 . HB# rr_1dng 1 
       104 2 . 1 . 1 1 10 10 GLU HB2 H . . . . 10 . HB# rr_1dng 1 
       104 2 . 2 . 1 1 13 13 ALA MB  H . . . . 13 . HB# rr_1dng 1 
       104 3 . 1 . 1 1 10 10 GLU HB3 H . . . . 10 . HB# rr_1dng 1 
       104 3 . 2 . 1 1 13 13 ALA MB  H . . . . 13 . HB# rr_1dng 1 
       105 1 . 1 . 1 1 11 11 GLU H   H . . . . 11 . HN  rr_1dng 1 
       105 1 . 2 . 1 1 12 12 LEU H   H . . . . 12 . HN  rr_1dng 1 
       106 1 . 1 . 1 1 11 11 GLU H   H . . . . 11 . HN  rr_1dng 1 
       106 1 . 2 . 1 1 12 12 LEU HB3 H . . . . 12 . HB1 rr_1dng 1 
       107 1 . 1 . 1 1 11 11 GLU H   H . . . . 11 . HN  rr_1dng 1 
       107 1 . 2 . 1 1 12 12 LEU HG  H . . . . 12 . HG  rr_1dng 1 
       108 2 . 1 . 1 1 11 11 GLU H   H . . . . 11 . HN  rr_1dng 1 
       108 2 . 2 . 1 1 12 12 LEU MD1 H . . . . 12 . HD* rr_1dng 1 
       108 3 . 1 . 1 1 11 11 GLU H   H . . . . 11 . HN  rr_1dng 1 
       108 3 . 2 . 1 1 12 12 LEU MD2 H . . . . 12 . HD* rr_1dng 1 
       109 2 . 1 . 1 1 11 11 GLU HB2 H . . . . 11 . HB# rr_1dng 1 
       109 2 . 2 . 1 1 12 12 LEU H   H . . . . 12 . HN  rr_1dng 1 
       109 3 . 1 . 1 1 11 11 GLU HB3 H . . . . 11 . HB# rr_1dng 1 
       109 3 . 2 . 1 1 12 12 LEU H   H . . . . 12 . HN  rr_1dng 1 
       110 2 . 1 . 1 1 11 11 GLU HB3 H . . . . 11 . HB# rr_1dng 1 
       110 2 . 2 . 1 1 12 12 LEU MD1 H . . . . 12 . HD* rr_1dng 1 
       110 3 . 1 . 1 1 11 11 GLU HB2 H . . . . 11 . HB# rr_1dng 1 
       110 3 . 2 . 1 1 12 12 LEU MD2 H . . . . 12 . HD* rr_1dng 1 
       110 4 . 1 . 1 1 11 11 GLU HB3 H . . . . 11 . HB# rr_1dng 1 
       110 4 . 2 . 1 1 12 12 LEU MD2 H . . . . 12 . HD* rr_1dng 1 
       110 5 . 1 . 1 1 11 11 GLU HB2 H . . . . 11 . HB# rr_1dng 1 
       110 5 . 2 . 1 1 12 12 LEU MD1 H . . . . 12 . HD* rr_1dng 1 
       111 2 . 1 . 1 1 11 11 GLU HG2 H . . . . 11 . HG# rr_1dng 1 
       111 2 . 2 . 1 1 12 12 LEU H   H . . . . 12 . HN  rr_1dng 1 
       111 3 . 1 . 1 1 11 11 GLU HG3 H . . . . 11 . HG# rr_1dng 1 
       111 3 . 2 . 1 1 12 12 LEU H   H . . . . 12 . HN  rr_1dng 1 
       112 2 . 1 . 1 1 11 11 GLU HG2 H . . . . 11 . HG# rr_1dng 1 
       112 2 . 2 . 1 1 12 12 LEU MD1 H . . . . 12 . HD* rr_1dng 1 
       112 3 . 1 . 1 1 11 11 GLU HG3 H . . . . 11 . HG# rr_1dng 1 
       112 3 . 2 . 1 1 12 12 LEU MD1 H . . . . 12 . HD* rr_1dng 1 
       112 4 . 1 . 1 1 11 11 GLU HG2 H . . . . 11 . HG# rr_1dng 1 
       112 4 . 2 . 1 1 12 12 LEU MD2 H . . . . 12 . HD* rr_1dng 1 
       112 5 . 1 . 1 1 11 11 GLU HG3 H . . . . 11 . HG# rr_1dng 1 
       112 5 . 2 . 1 1 12 12 LEU MD2 H . . . . 12 . HD* rr_1dng 1 
       113 1 . 1 . 1 1 11 11 GLU H   H . . . . 11 . HN  rr_1dng 1 
       113 1 . 2 . 1 1 13 13 ALA H   H . . . . 13 . HN  rr_1dng 1 
       114 1 . 1 . 1 1 11 11 GLU H   H . . . . 11 . HN  rr_1dng 1 
       114 1 . 2 . 1 1 13 13 ALA MB  H . . . . 13 . HB# rr_1dng 1 
       115 2 . 1 . 1 1 11 11 GLU HA  H . . . . 11 . HA  rr_1dng 1 
       115 2 . 2 . 1 1 14 14 LYS HB2 H . . . . 14 . HB# rr_1dng 1 
       115 3 . 1 . 1 1 11 11 GLU HA  H . . . . 11 . HA  rr_1dng 1 
       115 3 . 2 . 1 1 14 14 LYS HB3 H . . . . 14 . HB# rr_1dng 1 
       116 2 . 1 . 1 1 11 11 GLU HA  H . . . . 11 . HA  rr_1dng 1 
       116 2 . 2 . 1 1 14 14 LYS HG2 H . . . . 14 . HG# rr_1dng 1 
       116 3 . 1 . 1 1 11 11 GLU HA  H . . . . 11 . HA  rr_1dng 1 
       116 3 . 2 . 1 1 14 14 LYS HG3 H . . . . 14 . HG# rr_1dng 1 
       117 2 . 1 . 1 1 11 11 GLU HA  H . . . . 11 . HA  rr_1dng 1 
       117 2 . 2 . 1 1 14 14 LYS HD2 H . . . . 14 . HD# rr_1dng 1 
       117 3 . 1 . 1 1 11 11 GLU HA  H . . . . 11 . HA  rr_1dng 1 
       117 3 . 2 . 1 1 14 14 LYS HD3 H . . . . 14 . HD# rr_1dng 1 
       118 2 . 1 . 1 1 11 11 GLU HA  H . . . . 11 . HA  rr_1dng 1 
       118 2 . 2 . 1 1 14 14 LYS HE2 H . . . . 14 . HE# rr_1dng 1 
       118 3 . 1 . 1 1 11 11 GLU HA  H . . . . 11 . HA  rr_1dng 1 
       118 3 . 2 . 1 1 14 14 LYS HE3 H . . . . 14 . HE# rr_1dng 1 
       119 2 . 1 . 1 1 11 11 GLU HB2 H . . . . 11 . HB# rr_1dng 1 
       119 2 . 2 . 1 1 14 14 LYS H   H . . . . 14 . HN  rr_1dng 1 
       119 3 . 1 . 1 1 11 11 GLU HB3 H . . . . 11 . HB# rr_1dng 1 
       119 3 . 2 . 1 1 14 14 LYS H   H . . . . 14 . HN  rr_1dng 1 
       120 1 . 1 . 1 1 12 12 LEU H   H . . . . 12 . HN  rr_1dng 1 
       120 1 . 2 . 1 1 13 13 ALA H   H . . . . 13 . HN  rr_1dng 1 
       121 1 . 1 . 1 1 12 12 LEU H   H . . . . 12 . HN  rr_1dng 1 
       121 1 . 2 . 1 1 13 13 ALA MB  H . . . . 13 . HB# rr_1dng 1 
       122 1 . 1 . 1 1 12 12 LEU HB3 H . . . . 12 . HB1 rr_1dng 1 
       122 1 . 2 . 1 1 13 13 ALA H   H . . . . 13 . HN  rr_1dng 1 
       123 1 . 1 . 1 1 12 12 LEU HB3 H . . . . 12 . HB1 rr_1dng 1 
       123 1 . 2 . 1 1 13 13 ALA MB  H . . . . 13 . HB# rr_1dng 1 
       124 1 . 1 . 1 1 12 12 LEU HB2 H . . . . 12 . HB2 rr_1dng 1 
       124 1 . 2 . 1 1 13 13 ALA H   H . . . . 13 . HN  rr_1dng 1 
       125 1 . 1 . 1 1 12 12 LEU HB2 H . . . . 12 . HB2 rr_1dng 1 
       125 1 . 2 . 1 1 13 13 ALA MB  H . . . . 13 . HB# rr_1dng 1 
       126 1 . 1 . 1 1 12 12 LEU HG  H . . . . 12 . HG  rr_1dng 1 
       126 1 . 2 . 1 1 13 13 ALA H   H . . . . 13 . HN  rr_1dng 1 
       127 2 . 1 . 1 1 12 12 LEU MD1 H . . . . 12 . HD* rr_1dng 1 
       127 2 . 2 . 1 1 13 13 ALA H   H . . . . 13 . HN  rr_1dng 1 
       127 3 . 1 . 1 1 12 12 LEU MD2 H . . . . 12 . HD* rr_1dng 1 
       127 3 . 2 . 1 1 13 13 ALA H   H . . . . 13 . HN  rr_1dng 1 
       128 2 . 1 . 1 1 12 12 LEU MD1 H . . . . 12 . HD* rr_1dng 1 
       128 2 . 2 . 1 1 13 13 ALA MB  H . . . . 13 . HB# rr_1dng 1 
       128 3 . 1 . 1 1 12 12 LEU MD2 H . . . . 12 . HD* rr_1dng 1 
       128 3 . 2 . 1 1 13 13 ALA MB  H . . . . 13 . HB# rr_1dng 1 
       129 1 . 1 . 1 1 12 12 LEU H   H . . . . 12 . HN  rr_1dng 1 
       129 1 . 2 . 1 1 14 14 LYS H   H . . . . 14 . HN  rr_1dng 1 
       130 2 . 1 . 1 1 12 12 LEU MD1 H . . . . 12 . HD* rr_1dng 1 
       130 2 . 2 . 1 1 14 14 LYS H   H . . . . 14 . HN  rr_1dng 1 
       130 3 . 1 . 1 1 12 12 LEU MD2 H . . . . 12 . HD* rr_1dng 1 
       130 3 . 2 . 1 1 14 14 LYS H   H . . . . 14 . HN  rr_1dng 1 
       131 2 . 1 . 1 1 12 12 LEU HA  H . . . . 12 . HA  rr_1dng 1 
       131 2 . 2 . 1 1 15 15 SER HB2 H . . . . 15 . HB# rr_1dng 1 
       131 3 . 1 . 1 1 12 12 LEU HA  H . . . . 12 . HA  rr_1dng 1 
       131 3 . 2 . 1 1 15 15 SER HB3 H . . . . 15 . HB# rr_1dng 1 
       132 1 . 1 . 1 1 13 13 ALA H   H . . . . 13 . HN  rr_1dng 1 
       132 1 . 2 . 1 1 14 14 LYS H   H . . . . 14 . HN  rr_1dng 1 
       133 2 . 1 . 1 1 13 13 ALA H   H . . . . 13 . HN  rr_1dng 1 
       133 2 . 2 . 1 1 14 14 LYS HB2 H . . . . 14 . HB# rr_1dng 1 
       133 3 . 1 . 1 1 13 13 ALA H   H . . . . 13 . HN  rr_1dng 1 
       133 3 . 2 . 1 1 14 14 LYS HB3 H . . . . 14 . HB# rr_1dng 1 
       134 1 . 1 . 1 1 13 13 ALA MB  H . . . . 13 . HB# rr_1dng 1 
       134 1 . 2 . 1 1 14 14 LYS H   H . . . . 14 . HN  rr_1dng 1 
       135 1 . 1 . 1 1 13 13 ALA MB  H . . . . 13 . HB# rr_1dng 1 
       135 1 . 2 . 1 1 15 15 SER H   H . . . . 15 . HN  rr_1dng 1 
       136 1 . 1 . 1 1 14 14 LYS HA  H . . . . 14 . HA  rr_1dng 1 
       136 1 . 2 . 1 1 15 15 SER H   H . . . . 15 . HN  rr_1dng 1 
       137 2 . 1 . 1 1 14 14 LYS HB2 H . . . . 14 . HB# rr_1dng 1 
       137 2 . 2 . 1 1 15 15 SER H   H . . . . 15 . HN  rr_1dng 1 
       137 3 . 1 . 1 1 14 14 LYS HB3 H . . . . 14 . HB# rr_1dng 1 
       137 3 . 2 . 1 1 15 15 SER H   H . . . . 15 . HN  rr_1dng 1 
       138 2 . 1 . 1 1 14 14 LYS HD2 H . . . . 14 . HD# rr_1dng 1 
       138 2 . 2 . 1 1 15 15 SER H   H . . . . 15 . HN  rr_1dng 1 
       138 3 . 1 . 1 1 14 14 LYS HD3 H . . . . 14 . HD# rr_1dng 1 
       138 3 . 2 . 1 1 15 15 SER H   H . . . . 15 . HN  rr_1dng 1 
       139 1 . 1 . 1 1  3  3 PRO HB3 H . . . .  3 . HB1 rr_1dng 1 
       139 1 . 2 . 1 1  5  5 TYR QE  H . . . .  5 . HE* rr_1dng 1 
       140 2 . 1 . 1 1  3  3 PRO HG2 H . . . .  3 . HG# rr_1dng 1 
       140 2 . 2 . 1 1  5  5 TYR QD  H . . . .  5 . HD* rr_1dng 1 
       140 3 . 1 . 1 1  3  3 PRO HG3 H . . . .  3 . HG# rr_1dng 1 
       140 3 . 2 . 1 1  5  5 TYR QD  H . . . .  5 . HD* rr_1dng 1 
       141 2 . 1 . 1 1  3  3 PRO HG2 H . . . .  3 . HG# rr_1dng 1 
       141 2 . 2 . 1 1  5  5 TYR QE  H . . . .  5 . HE* rr_1dng 1 
       141 3 . 1 . 1 1  3  3 PRO HG3 H . . . .  3 . HG# rr_1dng 1 
       141 3 . 2 . 1 1  5  5 TYR QE  H . . . .  5 . HE* rr_1dng 1 
       142 1 . 1 . 1 1  4  4 ALA HA  H . . . .  4 . HA  rr_1dng 1 
       142 1 . 2 . 1 1  5  5 TYR H   H . . . .  5 . HN  rr_1dng 1 
       143 1 . 1 . 1 1  4  4 ALA MB  H . . . .  4 . HB# rr_1dng 1 
       143 1 . 2 . 1 1  7  7 GLU H   H . . . .  7 . HN  rr_1dng 1 
       144 2 . 1 . 1 1  5  5 TYR QD  H . . . .  5 . HD* rr_1dng 1 
       144 2 . 2 . 1 1  7  7 GLU HG2 H . . . .  7 . HG# rr_1dng 1 
       144 3 . 1 . 1 1  5  5 TYR QD  H . . . .  5 . HD* rr_1dng 1 
       144 3 . 2 . 1 1  7  7 GLU HG3 H . . . .  7 . HG# rr_1dng 1 
       145 2 . 1 . 1 1  5  5 TYR QE  H . . . .  5 . HE* rr_1dng 1 
       145 2 . 2 . 1 1  7  7 GLU HG2 H . . . .  7 . HG# rr_1dng 1 
       145 3 . 1 . 1 1  5  5 TYR QE  H . . . .  5 . HE* rr_1dng 1 
       145 3 . 2 . 1 1  7  7 GLU HG3 H . . . .  7 . HG# rr_1dng 1 
       146 1 . 1 . 1 1  5  5 TYR QD  H . . . .  5 . HD* rr_1dng 1 
       146 1 . 2 . 1 1  8  8 ALA MB  H . . . .  8 . HB# rr_1dng 1 
       147 1 . 1 . 1 1  5  5 TYR QE  H . . . .  5 . HE* rr_1dng 1 
       147 1 . 2 . 1 1  8  8 ALA MB  H . . . .  8 . HB# rr_1dng 1 
       148 1 . 1 . 1 1  5  5 TYR HA  H . . . .  5 . HA  rr_1dng 1 
       148 1 . 2 . 1 1  9  9 ALA H   H . . . .  9 . HN  rr_1dng 1 
       149 2 . 1 . 1 1  5  5 TYR HB2 H . . . .  5 . HB# rr_1dng 1 
       149 2 . 2 . 1 1  9  9 ALA H   H . . . .  9 . HN  rr_1dng 1 
       149 3 . 1 . 1 1  5  5 TYR HB3 H . . . .  5 . HB# rr_1dng 1 
       149 3 . 2 . 1 1  9  9 ALA H   H . . . .  9 . HN  rr_1dng 1 
       150 1 . 1 . 1 1  5  5 TYR QD  H . . . .  5 . HD* rr_1dng 1 
       150 1 . 2 . 1 1  9  9 ALA H   H . . . .  9 . HN  rr_1dng 1 
       151 1 . 1 . 1 1  5  5 TYR QE  H . . . .  5 . HE* rr_1dng 1 
       151 1 . 2 . 1 1  9  9 ALA H   H . . . .  9 . HN  rr_1dng 1 
       152 1 . 1 . 1 1  6  6 GLU H   H . . . .  6 . HN  rr_1dng 1 
       152 1 . 2 . 1 1  8  8 ALA MB  H . . . .  8 . HB# rr_1dng 1 
       153 1 . 1 . 1 1  6  6 GLU HA  H . . . .  6 . HA  rr_1dng 1 
       153 1 . 2 . 1 1 10 10 GLU H   H . . . . 10 . HN  rr_1dng 1 
       154 1 . 1 . 1 1  7  7 GLU H   H . . . .  7 . HN  rr_1dng 1 
       154 1 . 2 . 1 1  8  8 ALA MB  H . . . .  8 . HB# rr_1dng 1 
       155 1 . 1 . 1 1  7  7 GLU HA  H . . . .  7 . HA  rr_1dng 1 
       155 1 . 2 . 1 1 11 11 GLU H   H . . . . 11 . HN  rr_1dng 1 
       156 2 . 1 . 1 1  8  8 ALA MB  H . . . .  8 . HB# rr_1dng 1 
       156 2 . 2 . 1 1 11 11 GLU HB2 H . . . . 11 . HB# rr_1dng 1 
       156 3 . 1 . 1 1  8  8 ALA MB  H . . . .  8 . HB# rr_1dng 1 
       156 3 . 2 . 1 1 11 11 GLU HB3 H . . . . 11 . HB# rr_1dng 1 
       157 2 . 1 . 1 1  8  8 ALA MB  H . . . .  8 . HB# rr_1dng 1 
       157 2 . 2 . 1 1 11 11 GLU HG2 H . . . . 11 . HG# rr_1dng 1 
       157 3 . 1 . 1 1  8  8 ALA MB  H . . . .  8 . HB# rr_1dng 1 
       157 3 . 2 . 1 1 11 11 GLU HG3 H . . . . 11 . HG# rr_1dng 1 
       158 1 . 1 . 1 1  8  8 ALA MB  H . . . .  8 . HB# rr_1dng 1 
       158 1 . 2 . 1 1 12 12 LEU H   H . . . . 12 . HN  rr_1dng 1 
       159 2 . 1 . 1 1 10 10 GLU HB2 H . . . . 10 . HB# rr_1dng 1 
       159 2 . 2 . 1 1 11 11 GLU H   H . . . . 11 . HN  rr_1dng 1 
       159 3 . 1 . 1 1 10 10 GLU HB3 H . . . . 10 . HB# rr_1dng 1 
       159 3 . 2 . 1 1 11 11 GLU H   H . . . . 11 . HN  rr_1dng 1 
       160 1 . 1 . 1 1 10 10 GLU HA  H . . . . 10 . HA  rr_1dng 1 
       160 1 . 2 . 1 1 14 14 LYS H   H . . . . 14 . HN  rr_1dng 1 
       161 2 . 1 . 1 1 11 11 GLU HG2 H . . . . 11 . HG# rr_1dng 1 
       161 2 . 2 . 1 1 12 12 LEU HG  H . . . . 12 . HG  rr_1dng 1 
       161 3 . 1 . 1 1 11 11 GLU HG3 H . . . . 11 . HG# rr_1dng 1 
       161 3 . 2 . 1 1 12 12 LEU HG  H . . . . 12 . HG  rr_1dng 1 
       162 1 . 1 . 1 1 13 13 ALA HA  H . . . . 13 . HA  rr_1dng 1 
       162 1 . 2 . 1 1 14 14 LYS H   H . . . . 14 . HN  rr_1dng 1 
       163 1 . 1 . 1 1 13 13 ALA HA  H . . . . 13 . HA  rr_1dng 1 
       163 1 . 2 . 1 1 15 15 SER H   H . . . . 15 . HN  rr_1dng 1 
       164 1 . 1 . 1 1 13 13 ALA MB  H . . . . 13 . HB# rr_1dng 1 
       164 1 . 2 . 1 1 14 14 LYS HA  H . . . . 14 . HA  rr_1dng 1 
       165 1 . 1 . 1 1 14 14 LYS H   H . . . . 14 . HN  rr_1dng 1 
       165 1 . 2 . 1 1 15 15 SER H   H . . . . 15 . HN  rr_1dng 1 
       166 1 . 1 . 1 1  2  2 ALA MB  H . . . .  2 . HB# rr_1dng 1 
       166 1 . 2 . 1 1  3  3 PRO HB3 H . . . .  3 . HB1 rr_1dng 1 
       167 1 . 1 . 1 1  2  2 ALA MB  H . . . .  2 . HB# rr_1dng 1 
       167 1 . 2 . 1 1  3  3 PRO HB2 H . . . .  3 . HB2 rr_1dng 1 
       168 2 . 1 . 1 1  2  2 ALA MB  H . . . .  2 . HB# rr_1dng 1 
       168 2 . 2 . 1 1  6  6 GLU HB2 H . . . .  6 . HB# rr_1dng 1 
       168 3 . 1 . 1 1  2  2 ALA MB  H . . . .  2 . HB# rr_1dng 1 
       168 3 . 2 . 1 1  6  6 GLU HB3 H . . . .  6 . HB# rr_1dng 1 
       169 2 . 1 . 1 1  2  2 ALA MB  H . . . .  2 . HB# rr_1dng 1 
       169 2 . 2 . 1 1  6  6 GLU HG2 H . . . .  6 . HG# rr_1dng 1 
       169 3 . 1 . 1 1  2  2 ALA MB  H . . . .  2 . HB# rr_1dng 1 
       169 3 . 2 . 1 1  6  6 GLU HG3 H . . . .  6 . HG# rr_1dng 1 
       170 1 . 1 . 1 1  3  3 PRO HB3 H . . . .  3 . HB1 rr_1dng 1 
       170 1 . 2 . 1 1  4  4 ALA HA  H . . . .  4 . HA  rr_1dng 1 
       171 1 . 1 . 1 1  3  3 PRO HB2 H . . . .  3 . HB2 rr_1dng 1 
       171 1 . 2 . 1 1  4  4 ALA HA  H . . . .  4 . HA  rr_1dng 1 
       172 2 . 1 . 1 1  3  3 PRO HG2 H . . . .  3 . HG# rr_1dng 1 
       172 2 . 2 . 1 1  4  4 ALA HA  H . . . .  4 . HA  rr_1dng 1 
       172 3 . 1 . 1 1  3  3 PRO HG3 H . . . .  3 . HG# rr_1dng 1 
       172 3 . 2 . 1 1  4  4 ALA HA  H . . . .  4 . HA  rr_1dng 1 
       173 1 . 1 . 1 1  3  3 PRO HA  H . . . .  3 . HA  rr_1dng 1 
       173 1 . 2 . 1 1  5  5 TYR H   H . . . .  5 . HN  rr_1dng 1 
       174 2 . 1 . 1 1  3  3 PRO HB3 H . . . .  3 . HB1 rr_1dng 1 
       174 2 . 2 . 1 1  5  5 TYR HB2 H . . . .  5 . HB# rr_1dng 1 
       174 3 . 1 . 1 1  3  3 PRO HB3 H . . . .  3 . HB1 rr_1dng 1 
       174 3 . 2 . 1 1  5  5 TYR HB3 H . . . .  5 . HB# rr_1dng 1 
       175 2 . 1 . 1 1  3  3 PRO HG3 H . . . .  3 . HG# rr_1dng 1 
       175 2 . 2 . 1 1  5  5 TYR HB2 H . . . .  5 . HB# rr_1dng 1 
       175 3 . 1 . 1 1  3  3 PRO HG2 H . . . .  3 . HG# rr_1dng 1 
       175 3 . 2 . 1 1  5  5 TYR HB2 H . . . .  5 . HB# rr_1dng 1 
       175 4 . 1 . 1 1  3  3 PRO HG2 H . . . .  3 . HG# rr_1dng 1 
       175 4 . 2 . 1 1  5  5 TYR HB3 H . . . .  5 . HB# rr_1dng 1 
       175 5 . 1 . 1 1  3  3 PRO HG3 H . . . .  3 . HG# rr_1dng 1 
       175 5 . 2 . 1 1  5  5 TYR HB3 H . . . .  5 . HB# rr_1dng 1 
       176 1 . 1 . 1 1  3  3 PRO HA  H . . . .  3 . HA  rr_1dng 1 
       176 1 . 2 . 1 1  6  6 GLU H   H . . . .  6 . HN  rr_1dng 1 
       177 1 . 1 . 1 1  3  3 PRO HB3 H . . . .  3 . HB1 rr_1dng 1 
       177 1 . 2 . 1 1  6  6 GLU H   H . . . .  6 . HN  rr_1dng 1 
       178 2 . 1 . 1 1  3  3 PRO HD3 H . . . .  3 . HD1 rr_1dng 1 
       178 2 . 2 . 1 1  6  6 GLU HG2 H . . . .  6 . HG# rr_1dng 1 
       178 3 . 1 . 1 1  3  3 PRO HD3 H . . . .  3 . HD1 rr_1dng 1 
       178 3 . 2 . 1 1  6  6 GLU HG3 H . . . .  6 . HG# rr_1dng 1 
       179 2 . 1 . 1 1  3  3 PRO HD2 H . . . .  3 . HD2 rr_1dng 1 
       179 2 . 2 . 1 1  6  6 GLU HG2 H . . . .  6 . HG# rr_1dng 1 
       179 3 . 1 . 1 1  3  3 PRO HD2 H . . . .  3 . HD2 rr_1dng 1 
       179 3 . 2 . 1 1  6  6 GLU HG3 H . . . .  6 . HG# rr_1dng 1 
       180 1 . 1 . 1 1  4  4 ALA H   H . . . .  4 . HN  rr_1dng 1 
       180 1 . 2 . 1 1  5  5 TYR QD  H . . . .  5 . HD* rr_1dng 1 
       181 1 . 1 . 1 1  4  4 ALA H   H . . . .  4 . HN  rr_1dng 1 
       181 1 . 2 . 1 1  5  5 TYR QE  H . . . .  5 . HE* rr_1dng 1 
       182 1 . 1 . 1 1  4  4 ALA H   H . . . .  4 . HN  rr_1dng 1 
       182 1 . 2 . 1 1  6  6 GLU H   H . . . .  6 . HN  rr_1dng 1 
       183 2 . 1 . 1 1  4  4 ALA HA  H . . . .  4 . HA  rr_1dng 1 
       183 2 . 2 . 1 1  7  7 GLU HG2 H . . . .  7 . HG# rr_1dng 1 
       183 3 . 1 . 1 1  4  4 ALA HA  H . . . .  4 . HA  rr_1dng 1 
       183 3 . 2 . 1 1  7  7 GLU HG3 H . . . .  7 . HG# rr_1dng 1 
       184 2 . 1 . 1 1  5  5 TYR H   H . . . .  5 . HN  rr_1dng 1 
       184 2 . 2 . 1 1  6  6 GLU HB2 H . . . .  6 . HB# rr_1dng 1 
       184 3 . 1 . 1 1  5  5 TYR H   H . . . .  5 . HN  rr_1dng 1 
       184 3 . 2 . 1 1  6  6 GLU HB3 H . . . .  6 . HB# rr_1dng 1 
       185 2 . 1 . 1 1  5  5 TYR H   H . . . .  5 . HN  rr_1dng 1 
       185 2 . 2 . 1 1  6  6 GLU HG2 H . . . .  6 . HG# rr_1dng 1 
       185 3 . 1 . 1 1  5  5 TYR H   H . . . .  5 . HN  rr_1dng 1 
       185 3 . 2 . 1 1  6  6 GLU HG3 H . . . .  6 . HG# rr_1dng 1 
       186 2 . 1 . 1 1  5  5 TYR HA  H . . . .  5 . HA  rr_1dng 1 
       186 2 . 2 . 1 1  6  6 GLU HG2 H . . . .  6 . HG# rr_1dng 1 
       186 3 . 1 . 1 1  5  5 TYR HA  H . . . .  5 . HA  rr_1dng 1 
       186 3 . 2 . 1 1  6  6 GLU HG3 H . . . .  6 . HG# rr_1dng 1 
       187 1 . 1 . 1 1  5  5 TYR QE  H . . . .  5 . HE* rr_1dng 1 
       187 1 . 2 . 1 1  6  6 GLU H   H . . . .  6 . HN  rr_1dng 1 
       188 2 . 1 . 1 1  5  5 TYR HB3 H . . . .  5 . HB# rr_1dng 1 
       188 2 . 2 . 1 1  7  7 GLU HB2 H . . . .  7 . HB# rr_1dng 1 
       188 3 . 1 . 1 1  5  5 TYR HB2 H . . . .  5 . HB# rr_1dng 1 
       188 3 . 2 . 1 1  7  7 GLU HB2 H . . . .  7 . HB# rr_1dng 1 
       188 4 . 1 . 1 1  5  5 TYR HB2 H . . . .  5 . HB# rr_1dng 1 
       188 4 . 2 . 1 1  7  7 GLU HB3 H . . . .  7 . HB# rr_1dng 1 
       188 5 . 1 . 1 1  5  5 TYR HB3 H . . . .  5 . HB# rr_1dng 1 
       188 5 . 2 . 1 1  7  7 GLU HB3 H . . . .  7 . HB# rr_1dng 1 
       189 1 . 1 . 1 1  5  5 TYR QE  H . . . .  5 . HE* rr_1dng 1 
       189 1 . 2 . 1 1  7  7 GLU H   H . . . .  7 . HN  rr_1dng 1 
       190 2 . 1 . 1 1  5  5 TYR HA  H . . . .  5 . HA  rr_1dng 1 
       190 2 . 2 . 1 1 12 12 LEU MD1 H . . . . 12 . HD* rr_1dng 1 
       190 3 . 1 . 1 1  5  5 TYR HA  H . . . .  5 . HA  rr_1dng 1 
       190 3 . 2 . 1 1 12 12 LEU MD2 H . . . . 12 . HD* rr_1dng 1 
       191 2 . 1 . 1 1  5  5 TYR HB3 H . . . .  5 . HB# rr_1dng 1 
       191 2 . 2 . 1 1 12 12 LEU MD1 H . . . . 12 . HD* rr_1dng 1 
       191 3 . 1 . 1 1  5  5 TYR HB2 H . . . .  5 . HB# rr_1dng 1 
       191 3 . 2 . 1 1 12 12 LEU MD1 H . . . . 12 . HD* rr_1dng 1 
       191 4 . 1 . 1 1  5  5 TYR HB2 H . . . .  5 . HB# rr_1dng 1 
       191 4 . 2 . 1 1 12 12 LEU MD2 H . . . . 12 . HD* rr_1dng 1 
       191 5 . 1 . 1 1  5  5 TYR HB3 H . . . .  5 . HB# rr_1dng 1 
       191 5 . 2 . 1 1 12 12 LEU MD2 H . . . . 12 . HD* rr_1dng 1 
       192 2 . 1 . 1 1  5  5 TYR QD  H . . . .  5 . HD* rr_1dng 1 
       192 2 . 2 . 1 1 12 12 LEU MD1 H . . . . 12 . HD* rr_1dng 1 
       192 3 . 1 . 1 1  5  5 TYR QD  H . . . .  5 . HD* rr_1dng 1 
       192 3 . 2 . 1 1 12 12 LEU MD2 H . . . . 12 . HD* rr_1dng 1 
       193 2 . 1 . 1 1  5  5 TYR QE  H . . . .  5 . HE* rr_1dng 1 
       193 2 . 2 . 1 1 12 12 LEU MD1 H . . . . 12 . HD* rr_1dng 1 
       193 3 . 1 . 1 1  5  5 TYR QE  H . . . .  5 . HE* rr_1dng 1 
       193 3 . 2 . 1 1 12 12 LEU MD2 H . . . . 12 . HD* rr_1dng 1 
       194 1 . 1 . 1 1  7  7 GLU HA  H . . . .  7 . HA  rr_1dng 1 
       194 1 . 2 . 1 1 10 10 GLU HG2 H . . . . 10 . HG2 rr_1dng 1 
       195 1 . 1 . 1 1  9  9 ALA MB  H . . . .  9 . HB# rr_1dng 1 
       195 1 . 2 . 1 1 10 10 GLU HG3 H . . . . 10 . HG1 rr_1dng 1 
       196 1 . 1 . 1 1  9  9 ALA MB  H . . . .  9 . HB# rr_1dng 1 
       196 1 . 2 . 1 1 10 10 GLU HG2 H . . . . 10 . HG2 rr_1dng 1 
       197 2 . 1 . 1 1  9  9 ALA H   H . . . .  9 . HN  rr_1dng 1 
       197 2 . 2 . 1 1 12 12 LEU MD1 H . . . . 12 . HD* rr_1dng 1 
       197 3 . 1 . 1 1  9  9 ALA H   H . . . .  9 . HN  rr_1dng 1 
       197 3 . 2 . 1 1 12 12 LEU MD2 H . . . . 12 . HD* rr_1dng 1 
       198 1 . 1 . 1 1  9  9 ALA MB  H . . . .  9 . HB# rr_1dng 1 
       198 1 . 2 . 1 1 12 12 LEU HB3 H . . . . 12 . HB1 rr_1dng 1 
       199 1 . 1 . 1 1  9  9 ALA MB  H . . . .  9 . HB# rr_1dng 1 
       199 1 . 2 . 1 1 12 12 LEU HB2 H . . . . 12 . HB2 rr_1dng 1 
       200 1 . 1 . 1 1 10 10 GLU HG3 H . . . . 10 . HG1 rr_1dng 1 
       200 1 . 2 . 1 1 11 11 GLU H   H . . . . 11 . HN  rr_1dng 1 
       201 1 . 1 . 1 1 10 10 GLU HG2 H . . . . 10 . HG2 rr_1dng 1 
       201 1 . 2 . 1 1 11 11 GLU H   H . . . . 11 . HN  rr_1dng 1 
       202 1 . 1 . 1 1 10 10 GLU H   H . . . . 10 . HN  rr_1dng 1 
       202 1 . 2 . 1 1 12 12 LEU HB3 H . . . . 12 . HB1 rr_1dng 1 
       203 1 . 1 . 1 1 10 10 GLU H   H . . . . 10 . HN  rr_1dng 1 
       203 1 . 2 . 1 1 12 12 LEU HB2 H . . . . 12 . HB2 rr_1dng 1 
       204 1 . 1 . 1 1 10 10 GLU H   H . . . . 10 . HN  rr_1dng 1 
       204 1 . 2 . 1 1 12 12 LEU HG  H . . . . 12 . HG  rr_1dng 1 
       205 1 . 1 . 1 1 10 10 GLU HG3 H . . . . 10 . HG1 rr_1dng 1 
       205 1 . 2 . 1 1 13 13 ALA MB  H . . . . 13 . HB# rr_1dng 1 
       206 1 . 1 . 1 1 10 10 GLU HG2 H . . . . 10 . HG2 rr_1dng 1 
       206 1 . 2 . 1 1 13 13 ALA MB  H . . . . 13 . HB# rr_1dng 1 
       207 2 . 1 . 1 1 10 10 GLU HA  H . . . . 10 . HA  rr_1dng 1 
       207 2 . 2 . 1 1 14 14 LYS HB2 H . . . . 14 . HB# rr_1dng 1 
       207 3 . 1 . 1 1 10 10 GLU HA  H . . . . 10 . HA  rr_1dng 1 
       207 3 . 2 . 1 1 14 14 LYS HB3 H . . . . 14 . HB# rr_1dng 1 
       208 2 . 1 . 1 1 10 10 GLU HA  H . . . . 10 . HA  rr_1dng 1 
       208 2 . 2 . 1 1 14 14 LYS HE2 H . . . . 14 . HE# rr_1dng 1 
       208 3 . 1 . 1 1 10 10 GLU HA  H . . . . 10 . HA  rr_1dng 1 
       208 3 . 2 . 1 1 14 14 LYS HE3 H . . . . 14 . HE# rr_1dng 1 
       209 2 . 1 . 1 1 10 10 GLU HB2 H . . . . 10 . HB# rr_1dng 1 
       209 2 . 2 . 1 1 14 14 LYS HB2 H . . . . 14 . HB# rr_1dng 1 
       209 3 . 1 . 1 1 10 10 GLU HB3 H . . . . 10 . HB# rr_1dng 1 
       209 3 . 2 . 1 1 14 14 LYS HB2 H . . . . 14 . HB# rr_1dng 1 
       209 4 . 1 . 1 1 10 10 GLU HB2 H . . . . 10 . HB# rr_1dng 1 
       209 4 . 2 . 1 1 14 14 LYS HB3 H . . . . 14 . HB# rr_1dng 1 
       209 5 . 1 . 1 1 10 10 GLU HB3 H . . . . 10 . HB# rr_1dng 1 
       209 5 . 2 . 1 1 14 14 LYS HB3 H . . . . 14 . HB# rr_1dng 1 
       210 2 . 1 . 1 1 10 10 GLU HB2 H . . . . 10 . HB# rr_1dng 1 
       210 2 . 2 . 1 1 14 14 LYS HE2 H . . . . 14 . HE# rr_1dng 1 
       210 3 . 1 . 1 1 10 10 GLU HB3 H . . . . 10 . HB# rr_1dng 1 
       210 3 . 2 . 1 1 14 14 LYS HE2 H . . . . 14 . HE# rr_1dng 1 
       210 4 . 1 . 1 1 10 10 GLU HB2 H . . . . 10 . HB# rr_1dng 1 
       210 4 . 2 . 1 1 14 14 LYS HE3 H . . . . 14 . HE# rr_1dng 1 
       210 5 . 1 . 1 1 10 10 GLU HB3 H . . . . 10 . HB# rr_1dng 1 
       210 5 . 2 . 1 1 14 14 LYS HE3 H . . . . 14 . HE# rr_1dng 1 
       211 2 . 1 . 1 1 10 10 GLU HG3 H . . . . 10 . HG1 rr_1dng 1 
       211 2 . 2 . 1 1 14 14 LYS HB2 H . . . . 14 . HB# rr_1dng 1 
       211 3 . 1 . 1 1 10 10 GLU HG3 H . . . . 10 . HG1 rr_1dng 1 
       211 3 . 2 . 1 1 14 14 LYS HB3 H . . . . 14 . HB# rr_1dng 1 
       212 2 . 1 . 1 1 10 10 GLU HG3 H . . . . 10 . HG1 rr_1dng 1 
       212 2 . 2 . 1 1 14 14 LYS HE2 H . . . . 14 . HE# rr_1dng 1 
       212 3 . 1 . 1 1 10 10 GLU HG3 H . . . . 10 . HG1 rr_1dng 1 
       212 3 . 2 . 1 1 14 14 LYS HE3 H . . . . 14 . HE# rr_1dng 1 
       213 2 . 1 . 1 1 10 10 GLU HG2 H . . . . 10 . HG2 rr_1dng 1 
       213 2 . 2 . 1 1 14 14 LYS HB2 H . . . . 14 . HB# rr_1dng 1 
       213 3 . 1 . 1 1 10 10 GLU HG2 H . . . . 10 . HG2 rr_1dng 1 
       213 3 . 2 . 1 1 14 14 LYS HB3 H . . . . 14 . HB# rr_1dng 1 
       214 2 . 1 . 1 1 10 10 GLU HG2 H . . . . 10 . HG2 rr_1dng 1 
       214 2 . 2 . 1 1 14 14 LYS HE2 H . . . . 14 . HE# rr_1dng 1 
       214 3 . 1 . 1 1 10 10 GLU HG2 H . . . . 10 . HG2 rr_1dng 1 
       214 3 . 2 . 1 1 14 14 LYS HE3 H . . . . 14 . HE# rr_1dng 1 
       215 1 . 1 . 1 1 11 11 GLU H   H . . . . 11 . HN  rr_1dng 1 
       215 1 . 2 . 1 1 12 12 LEU HB2 H . . . . 12 . HB2 rr_1dng 1 
       216 2 . 1 . 1 1 11 11 GLU H   H . . . . 11 . HN  rr_1dng 1 
       216 2 . 2 . 1 1 14 14 LYS HB2 H . . . . 14 . HB# rr_1dng 1 
       216 3 . 1 . 1 1 11 11 GLU H   H . . . . 11 . HN  rr_1dng 1 
       216 3 . 2 . 1 1 14 14 LYS HB3 H . . . . 14 . HB# rr_1dng 1 
       217 2 . 1 . 1 1 11 11 GLU HG2 H . . . . 11 . HG# rr_1dng 1 
       217 2 . 2 . 1 1 14 14 LYS H   H . . . . 14 . HN  rr_1dng 1 
       217 3 . 1 . 1 1 11 11 GLU HG3 H . . . . 11 . HG# rr_1dng 1 
       217 3 . 2 . 1 1 14 14 LYS H   H . . . . 14 . HN  rr_1dng 1 
       218 1 . 1 . 1 1 12 12 LEU HB3 H . . . . 12 . HB1 rr_1dng 1 
       218 1 . 2 . 1 1 14 14 LYS H   H . . . . 14 . HN  rr_1dng 1 
       219 1 . 1 . 1 1 12 12 LEU HB2 H . . . . 12 . HB2 rr_1dng 1 
       219 1 . 2 . 1 1 14 14 LYS H   H . . . . 14 . HN  rr_1dng 1 
       220 2 . 1 . 1 1 12 12 LEU MD1 H . . . . 12 . HD* rr_1dng 1 
       220 2 . 2 . 1 1 15 15 SER H   H . . . . 15 . HN  rr_1dng 1 
       220 3 . 1 . 1 1 12 12 LEU MD2 H . . . . 12 . HD* rr_1dng 1 
       220 3 . 2 . 1 1 15 15 SER H   H . . . . 15 . HN  rr_1dng 1 
    stop_

    loop_
       _Dist_constraint_value.Constraint_ID
       _Dist_constraint_value.Tree_node_ID
       _Dist_constraint_value.Source_experiment_ID
       _Dist_constraint_value.Spectral_peak_ID
       _Dist_constraint_value.Spectral_peak_list_ID
       _Dist_constraint_value.Intensity_val
       _Dist_constraint_value.Intensity_lower_val_err
       _Dist_constraint_value.Intensity_upper_val_err
       _Dist_constraint_value.Distance_val
       _Dist_constraint_value.Distance_lower_bound_val
       _Dist_constraint_value.Distance_upper_bound_val
       _Dist_constraint_value.Entry_ID
       _Dist_constraint_value.Distance_constraint_list_ID

         1 1 . . . . . . 2.8 1.8  3.1 rr_1dng 1 
         2 1 . . . . . . 5.0 1.8  5.5 rr_1dng 1 
         3 1 . . . . . . 6.0 1.8  6.4 rr_1dng 1 
         4 1 . . . . . . 6.0 1.8  6.5 rr_1dng 1 
         5 2 . . . . . . 6.0 1.8  7.5 rr_1dng 1 
         5 3 . . . . . . 6.0 1.8  7.5 rr_1dng 1 
         6 1 . . . . . . 6.0 1.8  6.5 rr_1dng 1 
         7 1 . . . . . . 6.0 1.8  6.5 rr_1dng 1 
         8 1 . . . . . . 6.0 1.8  6.5 rr_1dng 1 
         9 1 . . . . . . 6.0 1.8  6.5 rr_1dng 1 
        10 2 . . . . . . 6.0 1.8  7.4 rr_1dng 1 
        10 3 . . . . . . 6.0 1.8  7.4 rr_1dng 1 
        11 1 . . . . . . 6.0 1.8  6.3 rr_1dng 1 
        12 1 . . . . . . 6.0 1.8  6.3 rr_1dng 1 
        13 1 . . . . . . 6.0 1.8  7.5 rr_1dng 1 
        14 2 . . . . . . 6.0 1.8  8.4 rr_1dng 1 
        14 3 . . . . . . 6.0 1.8  8.4 rr_1dng 1 
        15 1 . . . . . . 6.0 1.8  7.4 rr_1dng 1 
        16 1 . . . . . . 6.0 1.8  7.3 rr_1dng 1 
        17 1 . . . . . . 5.0 1.8  5.3 rr_1dng 1 
        18 1 . . . . . . 3.9 1.8  4.3 rr_1dng 1 
        19 2 . . . . . . 6.0 1.8  7.5 rr_1dng 1 
        19 3 . . . . . . 6.0 1.8  7.5 rr_1dng 1 
        20 1 . . . . . . 6.0 1.8  8.5 rr_1dng 1 
        21 2 . . . . . . 6.0 1.8  8.4 rr_1dng 1 
        21 3 . . . . . . 6.0 1.8  8.4 rr_1dng 1 
        22 1 . . . . . . 6.0 1.8  9.5 rr_1dng 1 
        23 1 . . . . . . 6.0 1.8  9.5 rr_1dng 1 
        24 2 . . . . . . 5.0 1.8  6.5 rr_1dng 1 
        24 3 . . . . . . 5.0 1.8  6.5 rr_1dng 1 
        25 1 . . . . . . 2.8 1.8  3.1 rr_1dng 1 
        26 1 . . . . . . 6.0 1.8  6.4 rr_1dng 1 
        27 1 . . . . . . 6.0 1.8  6.4 rr_1dng 1 
        28 2 . . . . . . 6.0 1.8  7.4 rr_1dng 1 
        28 3 . . . . . . 6.0 1.8  7.4 rr_1dng 1 
        29 1 . . . . . . 6.0 1.8  6.5 rr_1dng 1 
        30 1 . . . . . . 6.0 1.8  6.5 rr_1dng 1 
        31 1 . . . . . . 6.0 1.8  8.5 rr_1dng 1 
        32 2 . . . . . . 6.0 1.8  7.5 rr_1dng 1 
        32 3 . . . . . . 6.0 1.8  7.5 rr_1dng 1 
        33 1 . . . . . . 6.0 1.8  8.5 rr_1dng 1 
        34 1 . . . . . . 6.0 1.8  8.5 rr_1dng 1 
        35 1 . . . . . . 6.0 1.8  6.5 rr_1dng 1 
        36 1 . . . . . . 2.8 1.8  3.1 rr_1dng 1 
        37 2 . . . . . . 6.0 1.8  7.4 rr_1dng 1 
        37 3 . . . . . . 6.0 1.8  7.4 rr_1dng 1 
        38 1 . . . . . . 6.0 1.8  8.5 rr_1dng 1 
        39 1 . . . . . . 6.0 1.8  7.3 rr_1dng 1 
        40 1 . . . . . . 5.0 1.8  5.5 rr_1dng 1 
        41 1 . . . . . . 6.0 1.8  7.4 rr_1dng 1 
        42 1 . . . . . . 3.9 1.8  4.3 rr_1dng 1 
        43 2 . . . . . . 3.9 1.8  5.3 rr_1dng 1 
        43 3 . . . . . . 3.9 1.8  5.3 rr_1dng 1 
        44 1 . . . . . . 5.0 1.8  5.5 rr_1dng 1 
        45 1 . . . . . . 2.8 1.8  3.1 rr_1dng 1 
        46 1 . . . . . . 2.8 1.8  3.1 rr_1dng 1 
        47 2 . . . . . . 5.0 0.8  6.4 rr_1dng 1 
        47 3 . . . . . . 5.0 0.8  6.4 rr_1dng 1 
        48 2 . . . . . . 2.8 1.8  4.1 rr_1dng 1 
        48 3 . . . . . . 2.8 1.8  4.1 rr_1dng 1 
        49 2 . . . . . . 5.0 1.8  6.5 rr_1dng 1 
        49 3 . . . . . . 5.0 1.8  6.5 rr_1dng 1 
        50 2 . . . . . . 5.0 1.8  7.5 rr_1dng 1 
        50 3 . . . . . . 5.0 1.8  7.5 rr_1dng 1 
        50 4 . . . . . . 5.0 1.8  7.5 rr_1dng 1 
        50 5 . . . . . . 5.0 1.8  7.5 rr_1dng 1 
        51 2 . . . . . . 5.0 1.8  7.5 rr_1dng 1 
        51 3 . . . . . . 5.0 1.8  7.5 rr_1dng 1 
        51 4 . . . . . . 5.0 1.8  7.5 rr_1dng 1 
        51 5 . . . . . . 5.0 1.8  7.5 rr_1dng 1 
        52 1 . . . . . . 6.0 1.8  8.4 rr_1dng 1 
        53 1 . . . . . . 6.0 1.8  8.4 rr_1dng 1 
        54 1 . . . . . . 6.0 1.8  8.5 rr_1dng 1 
        55 2 . . . . . . 5.0 1.8  6.5 rr_1dng 1 
        55 3 . . . . . . 5.0 1.8  6.5 rr_1dng 1 
        56 1 . . . . . . 6.0 1.8  8.5 rr_1dng 1 
        57 2 . . . . . . 6.0 1.8  9.5 rr_1dng 1 
        57 3 . . . . . . 6.0 1.8  9.5 rr_1dng 1 
        58 1 . . . . . . 6.0 1.8  8.5 rr_1dng 1 
        59 2 . . . . . . 6.0 1.8  9.5 rr_1dng 1 
        59 3 . . . . . . 6.0 1.8  9.5 rr_1dng 1 
        60 1 . . . . . . 3.9 1.8  4.3 rr_1dng 1 
        61 1 . . . . . . 2.8 1.8  4.1 rr_1dng 1 
        62 2 . . . . . . 5.0 1.8  6.5 rr_1dng 1 
        62 3 . . . . . . 5.0 1.8  6.5 rr_1dng 1 
        63 1 . . . . . . 6.0 1.8  8.5 rr_1dng 1 
        64 1 . . . . . . 6.0 1.8  8.5 rr_1dng 1 
        65 1 . . . . . . 2.8 1.8  3.1 rr_1dng 1 
        66 1 . . . . . . 2.8 1.8  3.1 rr_1dng 1 
        67 2 . . . . . . 3.9 1.8  5.3 rr_1dng 1 
        67 3 . . . . . . 3.9 1.8  5.3 rr_1dng 1 
        68 2 . . . . . . 3.9 1.8  5.3 rr_1dng 1 
        68 3 . . . . . . 3.9 1.8  5.3 rr_1dng 1 
        69 1 . . . . . . 3.9 1.8  4.3 rr_1dng 1 
        70 2 . . . . . . 5.0 1.8  6.5 rr_1dng 1 
        70 3 . . . . . . 5.0 1.8  6.5 rr_1dng 1 
        71 1 . . . . . . 3.9 1.8  4.3 rr_1dng 1 
        72 1 . . . . . . 2.8 1.8  4.1 rr_1dng 1 
        73 2 . . . . . . 3.9 1.8  5.3 rr_1dng 1 
        73 3 . . . . . . 3.9 1.8  5.3 rr_1dng 1 
        74 1 . . . . . . 2.8 1.8  3.1 rr_1dng 1 
        75 1 . . . . . . 2.8 1.8  3.1 rr_1dng 1 
        76 2 . . . . . . 2.8 1.8  4.1 rr_1dng 1 
        76 3 . . . . . . 2.8 1.8  4.1 rr_1dng 1 
        77 2 . . . . . . 3.9 1.8  5.3 rr_1dng 1 
        77 3 . . . . . . 3.9 1.8  5.3 rr_1dng 1 
        78 2 . . . . . . 3.9 1.8  5.3 rr_1dng 1 
        78 3 . . . . . . 3.9 1.8  5.3 rr_1dng 1 
        79 2 . . . . . . 3.9 1.8  5.3 rr_1dng 1 
        79 3 . . . . . . 3.9 1.8  5.3 rr_1dng 1 
        80 1 . . . . . . 3.9 1.8  4.3 rr_1dng 1 
        81 2 . . . . . . 3.9 1.8  5.3 rr_1dng 1 
        81 3 . . . . . . 3.9 1.8  5.3 rr_1dng 1 
        82 1 . . . . . . 5.0 1.8  5.5 rr_1dng 1 
        83 1 . . . . . . 2.8 1.8  3.1 rr_1dng 1 
        84 1 . . . . . . 3.9 1.8  4.3 rr_1dng 1 
        85 1 . . . . . . 3.9 1.8  4.3 rr_1dng 1 
        86 2 . . . . . . 2.8 1.8  4.1 rr_1dng 1 
        86 3 . . . . . . 2.8 1.8  4.1 rr_1dng 1 
        87 2 . . . . . . 3.9 1.8  5.3 rr_1dng 1 
        87 3 . . . . . . 3.9 1.8  5.3 rr_1dng 1 
        88 1 . . . . . . 3.9 1.8  4.3 rr_1dng 1 
        89 1 . . . . . . 2.8 1.8  3.1 rr_1dng 1 
        90 2 . . . . . . 3.9 1.8  6.3 rr_1dng 1 
        90 3 . . . . . . 3.9 1.8  6.3 rr_1dng 1 
        91 1 . . . . . . 3.9 1.8  4.3 rr_1dng 1 
        92 1 . . . . . . 3.9 1.8  4.3 rr_1dng 1 
        93 1 . . . . . . 3.9 1.8  4.3 rr_1dng 1 
        94 1 . . . . . . 3.9 1.8  4.3 rr_1dng 1 
        95 1 . . . . . . 3.9 1.8  4.3 rr_1dng 1 
        96 2 . . . . . . 3.9 1.8  6.7 rr_1dng 1 
        96 3 . . . . . . 3.9 1.8  6.7 rr_1dng 1 
        97 2 . . . . . . 3.9 1.8  7.7 rr_1dng 1 
        97 3 . . . . . . 3.9 1.8  7.7 rr_1dng 1 
        98 1 . . . . . . 2.8 1.8  3.1 rr_1dng 1 
        99 1 . . . . . . 3.9 1.8  4.3 rr_1dng 1 
       100 1 . . . . . . 3.9 1.8  4.3 rr_1dng 1 
       101 2 . . . . . . 5.0 1.8  7.9 rr_1dng 1 
       101 3 . . . . . . 5.0 1.8  7.9 rr_1dng 1 
       102 1 . . . . . . 5.0 1.8  6.5 rr_1dng 1 
       103 1 . . . . . . 3.9 1.8  5.2 rr_1dng 1 
       104 2 . . . . . . 5.0 1.8  7.5 rr_1dng 1 
       104 3 . . . . . . 5.0 1.8  7.5 rr_1dng 1 
       105 1 . . . . . . 2.8 1.8  3.1 rr_1dng 1 
       106 1 . . . . . . 5.0 1.8  5.5 rr_1dng 1 
       107 1 . . . . . . 5.0 1.8  5.5 rr_1dng 1 
       108 2 . . . . . . 5.0 1.8  7.9 rr_1dng 1 
       108 3 . . . . . . 5.0 1.8  7.9 rr_1dng 1 
       109 2 . . . . . . 2.8 1.8  4.1 rr_1dng 1 
       109 3 . . . . . . 2.8 1.8  4.1 rr_1dng 1 
       110 2 . . . . . . 5.0 1.8  8.9 rr_1dng 1 
       110 3 . . . . . . 5.0 1.8  8.9 rr_1dng 1 
       110 4 . . . . . . 5.0 1.8  8.9 rr_1dng 1 
       110 5 . . . . . . 5.0 1.8  8.9 rr_1dng 1 
       111 2 . . . . . . 3.9 1.8  5.3 rr_1dng 1 
       111 3 . . . . . . 3.9 1.8  5.3 rr_1dng 1 
       112 2 . . . . . . 5.0 1.8  8.9 rr_1dng 1 
       112 3 . . . . . . 5.0 1.8  8.9 rr_1dng 1 
       112 4 . . . . . . 5.0 1.8  8.9 rr_1dng 1 
       112 5 . . . . . . 5.0 1.8  8.9 rr_1dng 1 
       113 1 . . . . . . 3.9 1.8  4.3 rr_1dng 1 
       114 1 . . . . . . 5.0 1.8  6.5 rr_1dng 1 
       115 2 . . . . . . 3.9 1.8  5.3 rr_1dng 1 
       115 3 . . . . . . 3.9 1.8  5.3 rr_1dng 1 
       116 2 . . . . . . 3.9 1.8  5.3 rr_1dng 1 
       116 3 . . . . . . 3.9 1.8  5.3 rr_1dng 1 
       117 2 . . . . . . 3.9 1.8  5.3 rr_1dng 1 
       117 3 . . . . . . 3.9 1.8  5.3 rr_1dng 1 
       118 2 . . . . . . 3.9 1.8  5.3 rr_1dng 1 
       118 3 . . . . . . 3.9 1.8  5.3 rr_1dng 1 
       119 2 . . . . . . 5.0 1.8  6.5 rr_1dng 1 
       119 3 . . . . . . 5.0 1.8  6.5 rr_1dng 1 
       120 1 . . . . . . 2.8 1.8  3.1 rr_1dng 1 
       121 1 . . . . . . 3.9 1.8  5.3 rr_1dng 1 
       122 1 . . . . . . 3.9 1.8  4.3 rr_1dng 1 
       123 1 . . . . . . 5.0 1.8  6.5 rr_1dng 1 
       124 1 . . . . . . 3.9 1.8  4.3 rr_1dng 1 
       125 1 . . . . . . 5.0 1.8  6.5 rr_1dng 1 
       126 1 . . . . . . 3.9 1.8  4.3 rr_1dng 1 
       127 2 . . . . . . 3.9 1.8  6.7 rr_1dng 1 
       127 3 . . . . . . 3.9 1.8  6.7 rr_1dng 1 
       128 2 . . . . . . 5.0 1.8  8.9 rr_1dng 1 
       128 3 . . . . . . 5.0 1.8  8.9 rr_1dng 1 
       129 1 . . . . . . 3.9 1.8  4.3 rr_1dng 1 
       130 2 . . . . . . 5.0 1.8  7.9 rr_1dng 1 
       130 3 . . . . . . 5.0 1.8  7.9 rr_1dng 1 
       131 2 . . . . . . 3.9 1.8  5.3 rr_1dng 1 
       131 3 . . . . . . 3.9 1.8  5.3 rr_1dng 1 
       132 1 . . . . . . 2.8 1.8  3.1 rr_1dng 1 
       133 2 . . . . . . 5.0 1.8  6.5 rr_1dng 1 
       133 3 . . . . . . 5.0 1.8  6.5 rr_1dng 1 
       134 1 . . . . . . 2.8 1.8  4.1 rr_1dng 1 
       135 1 . . . . . . 3.9 1.8  5.3 rr_1dng 1 
       136 1 . . . . . . 2.8 1.8  3.1 rr_1dng 1 
       137 2 . . . . . . 3.9 1.8  5.3 rr_1dng 1 
       137 3 . . . . . . 3.9 1.8  5.3 rr_1dng 1 
       138 2 . . . . . . 3.9 1.8  5.3 rr_1dng 1 
       138 3 . . . . . . 3.9 1.8  5.3 rr_1dng 1 
       139 1 . . . . . . 6.0 1.8  8.5 rr_1dng 1 
       140 2 . . . . . . 6.0 1.8  9.5 rr_1dng 1 
       140 3 . . . . . . 6.0 1.8  9.5 rr_1dng 1 
       141 2 . . . . . . 6.0 1.8  9.4 rr_1dng 1 
       141 3 . . . . . . 6.0 1.8  9.4 rr_1dng 1 
       142 1 . . . . . . 2.8 1.8  3.1 rr_1dng 1 
       143 1 . . . . . . 6.0 1.8  7.5 rr_1dng 1 
       144 2 . . . . . . 6.0 1.8  9.4 rr_1dng 1 
       144 3 . . . . . . 6.0 1.8  9.4 rr_1dng 1 
       145 2 . . . . . . 6.0 1.8  9.5 rr_1dng 1 
       145 3 . . . . . . 6.0 1.8  9.5 rr_1dng 1 
       146 1 . . . . . . 6.0 1.8  9.4 rr_1dng 1 
       147 1 . . . . . . 6.0 1.8  9.5 rr_1dng 1 
       148 1 . . . . . . 5.0 1.8  5.5 rr_1dng 1 
       149 2 . . . . . . 6.0 1.8  7.5 rr_1dng 1 
       149 3 . . . . . . 6.0 1.8  7.5 rr_1dng 1 
       150 1 . . . . . . 6.0 1.8  8.5 rr_1dng 1 
       151 1 . . . . . . 6.0 1.8  8.5 rr_1dng 1 
       152 1 . . . . . . 5.0 1.8  6.5 rr_1dng 1 
       153 1 . . . . . . 5.0 1.8  5.5 rr_1dng 1 
       154 1 . . . . . . 3.9 1.8  5.3 rr_1dng 1 
       155 1 . . . . . . 5.0 1.8  5.5 rr_1dng 1 
       156 2 . . . . . . 3.9 1.8  6.3 rr_1dng 1 
       156 3 . . . . . . 3.9 1.8  6.3 rr_1dng 1 
       157 2 . . . . . . 3.9 1.8  6.3 rr_1dng 1 
       157 3 . . . . . . 3.9 1.8  6.3 rr_1dng 1 
       158 1 . . . . . . 3.9 1.8  5.3 rr_1dng 1 
       159 2 . . . . . . 2.8 1.8  4.1 rr_1dng 1 
       159 3 . . . . . . 2.8 1.8  4.1 rr_1dng 1 
       160 1 . . . . . . 5.0 1.8  5.5 rr_1dng 1 
       161 2 . . . . . . 5.0 1.8  6.5 rr_1dng 1 
       161 3 . . . . . . 5.0 1.8  6.5 rr_1dng 1 
       162 1 . . . . . . 3.9 1.8  4.3 rr_1dng 1 
       163 1 . . . . . . 5.0 1.8  5.5 rr_1dng 1 
       164 1 . . . . . . 3.9 1.8  5.3 rr_1dng 1 
       165 1 . . . . . . 3.9 1.8  4.3 rr_1dng 1 
       166 1 . . . . . . 6.0 1.8  7.5 rr_1dng 1 
       167 1 . . . . . . 6.0 1.8  7.5 rr_1dng 1 
       168 2 . . . . . . 6.0 1.8  8.5 rr_1dng 1 
       168 3 . . . . . . 6.0 1.8  8.5 rr_1dng 1 
       169 2 . . . . . . 6.0 1.8  8.5 rr_1dng 1 
       169 3 . . . . . . 6.0 1.8  8.5 rr_1dng 1 
       170 1 . . . . . . 6.0 1.8  6.5 rr_1dng 1 
       171 1 . . . . . . 6.0 1.8  6.5 rr_1dng 1 
       172 2 . . . . . . 6.0 1.8  7.5 rr_1dng 1 
       172 3 . . . . . . 6.0 1.8  7.5 rr_1dng 1 
       173 1 . . . . . . 5.0 1.8  5.5 rr_1dng 1 
       174 2 . . . . . . 6.0 1.8  7.5 rr_1dng 1 
       174 3 . . . . . . 6.0 1.8  7.5 rr_1dng 1 
       175 2 . . . . . . 6.0 1.8  8.5 rr_1dng 1 
       175 3 . . . . . . 6.0 1.8  8.5 rr_1dng 1 
       175 4 . . . . . . 6.0 1.8  8.5 rr_1dng 1 
       175 5 . . . . . . 6.0 1.8  8.5 rr_1dng 1 
       176 1 . . . . . . 5.0 1.8  5.5 rr_1dng 1 
       177 1 . . . . . . 6.0 1.8  6.5 rr_1dng 1 
       178 2 . . . . . . 6.0 1.8  7.5 rr_1dng 1 
       178 3 . . . . . . 6.0 1.8  7.5 rr_1dng 1 
       179 2 . . . . . . 6.0 1.8  7.5 rr_1dng 1 
       179 3 . . . . . . 6.0 1.8  7.5 rr_1dng 1 
       180 1 . . . . . . 6.0 1.8  8.5 rr_1dng 1 
       181 1 . . . . . . 6.0 1.8  8.5 rr_1dng 1 
       182 1 . . . . . . 5.0 1.8  5.5 rr_1dng 1 
       183 2 . . . . . . 5.0 1.8  6.5 rr_1dng 1 
       183 3 . . . . . . 5.0 1.8  6.5 rr_1dng 1 
       184 2 . . . . . . 5.0 1.8  6.5 rr_1dng 1 
       184 3 . . . . . . 5.0 1.8  6.5 rr_1dng 1 
       185 2 . . . . . . 5.0 1.8  6.5 rr_1dng 1 
       185 3 . . . . . . 5.0 1.8  6.5 rr_1dng 1 
       186 2 . . . . . . 5.0 1.8  6.5 rr_1dng 1 
       186 3 . . . . . . 5.0 1.8  6.5 rr_1dng 1 
       187 1 . . . . . . 6.0 1.8  8.5 rr_1dng 1 
       188 2 . . . . . . 6.0 1.8  8.5 rr_1dng 1 
       188 3 . . . . . . 6.0 1.8  8.5 rr_1dng 1 
       188 4 . . . . . . 6.0 1.8  8.5 rr_1dng 1 
       188 5 . . . . . . 6.0 1.8  8.5 rr_1dng 1 
       189 1 . . . . . . 6.0 1.8  8.5 rr_1dng 1 
       190 2 . . . . . . 5.0 1.8  7.9 rr_1dng 1 
       190 3 . . . . . . 5.0 1.8  7.9 rr_1dng 1 
       191 2 . . . . . . 6.0 1.8  9.9 rr_1dng 1 
       191 3 . . . . . . 6.0 1.8  9.9 rr_1dng 1 
       191 4 . . . . . . 6.0 1.8  9.9 rr_1dng 1 
       191 5 . . . . . . 6.0 1.8  9.9 rr_1dng 1 
       192 2 . . . . . . 6.0 1.8 10.9 rr_1dng 1 
       192 3 . . . . . . 6.0 1.8 10.9 rr_1dng 1 
       193 2 . . . . . . 6.0 1.8 10.9 rr_1dng 1 
       193 3 . . . . . . 6.0 1.8 10.9 rr_1dng 1 
       194 1 . . . . . . 5.0 1.8  5.5 rr_1dng 1 
       195 1 . . . . . . 5.0 1.8  6.5 rr_1dng 1 
       196 1 . . . . . . 5.0 1.8  6.5 rr_1dng 1 
       197 2 . . . . . . 5.0 1.8  7.9 rr_1dng 1 
       197 3 . . . . . . 5.0 1.8  7.9 rr_1dng 1 
       198 1 . . . . . . 5.0 1.8  6.5 rr_1dng 1 
       199 1 . . . . . . 5.0 1.8  6.5 rr_1dng 1 
       200 1 . . . . . . 5.0 1.8  5.5 rr_1dng 1 
       201 1 . . . . . . 5.0 1.8  5.5 rr_1dng 1 
       202 1 . . . . . . 6.0 1.8  6.5 rr_1dng 1 
       203 1 . . . . . . 5.0 1.8  5.5 rr_1dng 1 
       204 1 . . . . . . 5.0 1.8  5.5 rr_1dng 1 
       205 1 . . . . . . 5.0 1.8  6.5 rr_1dng 1 
       206 1 . . . . . . 5.0 1.8  6.5 rr_1dng 1 
       207 2 . . . . . . 5.0 1.8  6.5 rr_1dng 1 
       207 3 . . . . . . 5.0 1.8  6.5 rr_1dng 1 
       208 2 . . . . . . 5.0 1.8  6.5 rr_1dng 1 
       208 3 . . . . . . 5.0 1.8  6.5 rr_1dng 1 
       209 2 . . . . . . 5.0 1.8  7.5 rr_1dng 1 
       209 3 . . . . . . 5.0 1.8  7.5 rr_1dng 1 
       209 4 . . . . . . 5.0 1.8  7.5 rr_1dng 1 
       209 5 . . . . . . 5.0 1.8  7.5 rr_1dng 1 
       210 2 . . . . . . 5.0 1.8  7.5 rr_1dng 1 
       210 3 . . . . . . 5.0 1.8  7.5 rr_1dng 1 
       210 4 . . . . . . 5.0 1.8  7.5 rr_1dng 1 
       210 5 . . . . . . 5.0 1.8  7.5 rr_1dng 1 
       211 2 . . . . . . 5.0 1.8  6.5 rr_1dng 1 
       211 3 . . . . . . 5.0 1.8  6.5 rr_1dng 1 
       212 2 . . . . . . 5.0 1.8  6.5 rr_1dng 1 
       212 3 . . . . . . 5.0 1.8  6.5 rr_1dng 1 
       213 2 . . . . . . 5.0 1.8  6.5 rr_1dng 1 
       213 3 . . . . . . 5.0 1.8  6.5 rr_1dng 1 
       214 2 . . . . . . 5.0 1.8  6.5 rr_1dng 1 
       214 3 . . . . . . 5.0 1.8  6.5 rr_1dng 1 
       215 1 . . . . . . 5.0 1.8  5.5 rr_1dng 1 
       216 2 . . . . . . 5.0 1.8  6.5 rr_1dng 1 
       216 3 . . . . . . 5.0 1.8  6.5 rr_1dng 1 
       217 2 . . . . . . 5.0 1.8  6.5 rr_1dng 1 
       217 3 . . . . . . 5.0 1.8  6.5 rr_1dng 1 
       218 1 . . . . . . 5.0 1.8  5.5 rr_1dng 1 
       219 1 . . . . . . 5.0 1.8  5.5 rr_1dng 1 
       220 2 . . . . . . 5.0 1.8  7.9 rr_1dng 1 
       220 3 . . . . . . 5.0 1.8  7.9 rr_1dng 1 
    stop_

save_


save_CNS/XPLOR_dihedral_3
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints
    _Torsion_angle_constraint_list.Sf_framecode        CNS/XPLOR_dihedral_3
    _Torsion_angle_constraint_list.Entry_ID            rr_1dng
    _Torsion_angle_constraint_list.ID                  1
    _Torsion_angle_constraint_list.Details             "Generated by Wattos"
    _Torsion_angle_constraint_list.Constraint_file_ID  1
    _Torsion_angle_constraint_list.Block_ID            3

    loop_
       _Torsion_angle_constraint_software.Software_ID
       _Torsion_angle_constraint_software.Software_label
       _Torsion_angle_constraint_software.Method_ID
       _Torsion_angle_constraint_software.Method_label
       _Torsion_angle_constraint_software.Entry_ID
       _Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID

       . . . . rr_1dng 1 
    stop_

    loop_
       _Torsion_angle_constraint.ID
       _Torsion_angle_constraint.Torsion_angle_name
       _Torsion_angle_constraint.Assembly_atom_ID_1
       _Torsion_angle_constraint.Entity_assembly_ID_1
       _Torsion_angle_constraint.Entity_ID_1
       _Torsion_angle_constraint.Comp_index_ID_1
       _Torsion_angle_constraint.Seq_ID_1
       _Torsion_angle_constraint.Comp_ID_1
       _Torsion_angle_constraint.Atom_ID_1
       _Torsion_angle_constraint.Atom_type_1
       _Torsion_angle_constraint.Resonance_ID_1
       _Torsion_angle_constraint.Assembly_atom_ID_2
       _Torsion_angle_constraint.Entity_assembly_ID_2
       _Torsion_angle_constraint.Entity_ID_2
       _Torsion_angle_constraint.Comp_index_ID_2
       _Torsion_angle_constraint.Seq_ID_2
       _Torsion_angle_constraint.Comp_ID_2
       _Torsion_angle_constraint.Atom_ID_2
       _Torsion_angle_constraint.Atom_type_2
       _Torsion_angle_constraint.Resonance_ID_2
       _Torsion_angle_constraint.Assembly_atom_ID_3
       _Torsion_angle_constraint.Entity_assembly_ID_3
       _Torsion_angle_constraint.Entity_ID_3
       _Torsion_angle_constraint.Comp_index_ID_3
       _Torsion_angle_constraint.Seq_ID_3
       _Torsion_angle_constraint.Comp_ID_3
       _Torsion_angle_constraint.Atom_ID_3
       _Torsion_angle_constraint.Atom_type_3
       _Torsion_angle_constraint.Resonance_ID_3
       _Torsion_angle_constraint.Assembly_atom_ID_4
       _Torsion_angle_constraint.Entity_assembly_ID_4
       _Torsion_angle_constraint.Entity_ID_4
       _Torsion_angle_constraint.Comp_index_ID_4
       _Torsion_angle_constraint.Seq_ID_4
       _Torsion_angle_constraint.Comp_ID_4
       _Torsion_angle_constraint.Atom_ID_4
       _Torsion_angle_constraint.Atom_type_4
       _Torsion_angle_constraint.Resonance_ID_4
       _Torsion_angle_constraint.Angle_lower_bound_val
       _Torsion_angle_constraint.Angle_upper_bound_val
       _Torsion_angle_constraint.Source_experiment_ID
       _Torsion_angle_constraint.PDB_record_ID_1
       _Torsion_angle_constraint.PDB_model_num_1
       _Torsion_angle_constraint.PDB_strand_ID_1
       _Torsion_angle_constraint.PDB_ins_code_1
       _Torsion_angle_constraint.PDB_residue_no_1
       _Torsion_angle_constraint.PDB_residue_name_1
       _Torsion_angle_constraint.PDB_atom_name_1
       _Torsion_angle_constraint.PDB_record_ID_2
       _Torsion_angle_constraint.PDB_model_num_2
       _Torsion_angle_constraint.PDB_strand_ID_2
       _Torsion_angle_constraint.PDB_ins_code_2
       _Torsion_angle_constraint.PDB_residue_no_2
       _Torsion_angle_constraint.PDB_residue_name_2
       _Torsion_angle_constraint.PDB_atom_name_2
       _Torsion_angle_constraint.PDB_record_ID_3
       _Torsion_angle_constraint.PDB_model_num_3
       _Torsion_angle_constraint.PDB_strand_ID_3
       _Torsion_angle_constraint.PDB_ins_code_3
       _Torsion_angle_constraint.PDB_residue_no_3
       _Torsion_angle_constraint.PDB_residue_name_3
       _Torsion_angle_constraint.PDB_atom_name_3
       _Torsion_angle_constraint.PDB_record_ID_4
       _Torsion_angle_constraint.PDB_model_num_4
       _Torsion_angle_constraint.PDB_strand_ID_4
       _Torsion_angle_constraint.PDB_ins_code_4
       _Torsion_angle_constraint.PDB_residue_no_4
       _Torsion_angle_constraint.PDB_residue_name_4
       _Torsion_angle_constraint.PDB_atom_name_4
       _Torsion_angle_constraint.Auth_entity_assembly_ID_1
       _Torsion_angle_constraint.Auth_asym_ID_1
       _Torsion_angle_constraint.Auth_chain_ID_1
       _Torsion_angle_constraint.Auth_seq_ID_1
       _Torsion_angle_constraint.Auth_comp_ID_1
       _Torsion_angle_constraint.Auth_atom_ID_1
       _Torsion_angle_constraint.Auth_alt_ID_1
       _Torsion_angle_constraint.Auth_atom_name_1
       _Torsion_angle_constraint.Auth_entity_assembly_ID_2
       _Torsion_angle_constraint.Auth_asym_ID_2
       _Torsion_angle_constraint.Auth_chain_ID_2
       _Torsion_angle_constraint.Auth_seq_ID_2
       _Torsion_angle_constraint.Auth_comp_ID_2
       _Torsion_angle_constraint.Auth_atom_ID_2
       _Torsion_angle_constraint.Auth_alt_ID_2
       _Torsion_angle_constraint.Auth_atom_name_2
       _Torsion_angle_constraint.Auth_entity_assembly_ID_3
       _Torsion_angle_constraint.Auth_asym_ID_3
       _Torsion_angle_constraint.Auth_chain_ID_3
       _Torsion_angle_constraint.Auth_seq_ID_3
       _Torsion_angle_constraint.Auth_comp_ID_3
       _Torsion_angle_constraint.Auth_atom_ID_3
       _Torsion_angle_constraint.Auth_alt_ID_3
       _Torsion_angle_constraint.Auth_atom_name_3
       _Torsion_angle_constraint.Auth_entity_assembly_ID_4
       _Torsion_angle_constraint.Auth_asym_ID_4
       _Torsion_angle_constraint.Auth_chain_ID_4
       _Torsion_angle_constraint.Auth_seq_ID_4
       _Torsion_angle_constraint.Auth_comp_ID_4
       _Torsion_angle_constraint.Auth_atom_ID_4
       _Torsion_angle_constraint.Auth_alt_ID_4
       _Torsion_angle_constraint.Auth_atom_name_4
       _Torsion_angle_constraint.Entry_ID
       _Torsion_angle_constraint.Torsion_angle_constraint_list_ID

       1 . . 1 1  5  5 TYR C C . . 1 1  6  6 GLU N N . . 1 1  6  6 GLU CA C . . 1 1  6  6 GLU C C . -90.0 -30.0 . . . A .  5 TYR C . . A .  6 GLU N . . A .  6 GLU CA . . A .  6 GLU C . . .  5 . C . . . . .  6 . N . . . . .  6 . CA . . . . .  6 . C . . rr_1dng 1 
       2 . . 1 1  6  6 GLU C C . . 1 1  7  7 GLU N N . . 1 1  7  7 GLU CA C . . 1 1  7  7 GLU C C . -90.0 -30.0 . . . A .  6 GLU C . . A .  7 GLU N . . A .  7 GLU CA . . A .  7 GLU C . . .  6 . C . . . . .  7 . N . . . . .  7 . CA . . . . .  7 . C . . rr_1dng 1 
       3 . . 1 1  7  7 GLU C C . . 1 1  8  8 ALA N N . . 1 1  8  8 ALA CA C . . 1 1  8  8 ALA C C . -90.0 -30.0 . . . A .  7 GLU C . . A .  8 ALA N . . A .  8 ALA CA . . A .  8 ALA C . . .  7 . C . . . . .  8 . N . . . . .  8 . CA . . . . .  8 . C . . rr_1dng 1 
       4 . . 1 1  8  8 ALA C C . . 1 1  9  9 ALA N N . . 1 1  9  9 ALA CA C . . 1 1  9  9 ALA C C . -90.0 -30.0 . . . A .  8 ALA C . . A .  9 ALA N . . A .  9 ALA CA . . A .  9 ALA C . . .  8 . C . . . . .  9 . N . . . . .  9 . CA . . . . .  9 . C . . rr_1dng 1 
       5 . . 1 1  9  9 ALA C C . . 1 1 10 10 GLU N N . . 1 1 10 10 GLU CA C . . 1 1 10 10 GLU C C . -90.0 -30.0 . . . A .  9 ALA C . . A . 10 GLU N . . A . 10 GLU CA . . A . 10 GLU C . . .  9 . C . . . . . 10 . N . . . . . 10 . CA . . . . . 10 . C . . rr_1dng 1 
       6 . . 1 1 10 10 GLU C C . . 1 1 11 11 GLU N N . . 1 1 11 11 GLU CA C . . 1 1 11 11 GLU C C . -90.0 -30.0 . . . A . 10 GLU C . . A . 11 GLU N . . A . 11 GLU CA . . A . 11 GLU C . . . 10 . C . . . . . 11 . N . . . . . 11 . CA . . . . . 11 . C . . rr_1dng 1 
       7 . . 1 1 11 11 GLU C C . . 1 1 12 12 LEU N N . . 1 1 12 12 LEU CA C . . 1 1 12 12 LEU C C . -90.0 -30.0 . . . A . 11 GLU C . . A . 12 LEU N . . A . 12 LEU CA . . A . 12 LEU C . . . 11 . C . . . . . 12 . N . . . . . 12 . CA . . . . . 12 . C . . rr_1dng 1 
       8 . . 1 1 12 12 LEU C C . . 1 1 13 13 ALA N N . . 1 1 13 13 ALA CA C . . 1 1 13 13 ALA C C . -90.0 -30.0 . . . A . 12 LEU C . . A . 13 ALA N . . A . 13 ALA CA . . A . 13 ALA C . . . 12 . C . . . . . 13 . N . . . . . 13 . CA . . . . . 13 . C . . rr_1dng 1 
    stop_

save_


save_MR_file_comment_1
    _Org_constr_file_comment.Sf_framecode        MR_file_comment_1
    _Org_constr_file_comment.Sf_category         org_constr_file_comment
    _Org_constr_file_comment.Entry_ID            rr_1dng
    _Org_constr_file_comment.ID                  1
    _Org_constr_file_comment.Constraint_file_ID  1
    _Org_constr_file_comment.Block_ID            1
    _Org_constr_file_comment.Details             "Generated by Wattos"
    _Org_constr_file_comment.Comment             "*HEADER DE NOVO PROTEIN 16-DEC-99 1DNG *TITLE NMR STRUCTURE OF A MODEL HYDROPHILIC AMPHIPATHIC HELICAL *TITLE 2 ACIDIC PEPTIDE *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: GLN-ALA-PRO-ALA-TYR-GLU-GLU-ALA-ALA-GLU-GLU-LEU- *COMPND 3 ALA-LYS-SER; *COMPND 4 CHAIN: A; *COMPND 5 FRAGMENT: HUMAN PLATELET FACTOR 4, SEGMENT 59-73; *COMPND 6 MUTATION: YES; *COMPND 7 OTHER_DETAILS: CHEMICALLY SYNTHESIZED *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; *SOURCE 3 ORGANISM_COMMON: HUMAN; *SOURCE 4 OTHER_DETAILS: HUMAN PLATELET FACTOR 4 WITH MUTATIONS *SOURCE 5 (L62A, K64E, K65E, I66A, I67A, K68E, K69E, L71A, E72K) *SOURCE 6 CHEMICALLY SYNTHESIZED *KEYWDS HYDROPHILIC AMPHIPATHIC ACIDIC HELIX PEPTIDE MODEL, DE NOVO *KEYWDS 2 PROTEIN *EXPDTA NMR *AUTHOR R.MONTSERRET, M.J.MCLEISH, A.BOCKMANN, C.GEOURJON, F.PENIN *REVDAT 1 12-JAN-00 1DNG 0"

save_


save_MR_file_comment_2
    _Org_constr_file_comment.Sf_framecode        MR_file_comment_2
    _Org_constr_file_comment.Sf_category         org_constr_file_comment
    _Org_constr_file_comment.Entry_ID            rr_1dng
    _Org_constr_file_comment.ID                  2
    _Org_constr_file_comment.Constraint_file_ID  1
    _Org_constr_file_comment.Block_ID            2
    _Org_constr_file_comment.Details             "Generated by Wattos"
    _Org_constr_file_comment.Comment             
;! =======================================================
! == Analyse des structures Xplor ==
! == IBCP-CNRS UPR 412, Lyon ==
! == by C. Geourjon (geourjon@ibcp.fr) ==
! == G. Del?age (deleage@ibcp.fr) ==
! =======================================================
!
;


save_



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