NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
374412 |
1ee7   |
4604 | cing | 3-converted-DOCR | STAR | entry | full | 152 |
data_DOCR_restraints_with_modified_coordinates_PDB_code_1ee7
# This DOCR archive file contains, for PDB entry <1ee7>:
#
# - 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_1ee7
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 1ee7"
_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 1ee7"
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_1ee7
_Assembly.ID 1
_Assembly.Name 1ee7
_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 1913.2643
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 PEPTAIBOL 1 $PEPTAIBOL A . no . . . . . . rr_1ee7 1
stop_
save_
save_PEPTAIBOL
_Entity.Sf_category entity
_Entity.Sf_framecode PEPTAIBOL
_Entity.Entry_ID rr_1ee7
_Entity.ID 1
_Entity.Name PEPTAIBOL
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code XFASAXLQGAAAAAPAAAQX
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer yes
_Entity.Nstd_chirality yes
_Entity.Nstd_linkage yes
_Entity.Number_of_monomers 20
_Entity.Paramagnetic no
_Entity.Thiol_state "not present"
_Entity.Parent_entity_ID 1
_Entity.Formula_weight 1913.2643
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 . ACE . rr_1ee7 1
2 . PHE . rr_1ee7 1
3 . ABA . rr_1ee7 1
4 . SER . rr_1ee7 1
5 . ABA . rr_1ee7 1
6 . . . rr_1ee7 1
7 . LEU . rr_1ee7 1
8 . GLN . rr_1ee7 1
9 . GLY . rr_1ee7 1
10 . ABA . rr_1ee7 1
11 . ABA . rr_1ee7 1
12 . ALA . rr_1ee7 1
13 . ALA . rr_1ee7 1
14 . ABA . rr_1ee7 1
15 . PRO . rr_1ee7 1
16 . ABA . rr_1ee7 1
17 . ABA . rr_1ee7 1
18 . ABA . rr_1ee7 1
19 . GLN . rr_1ee7 1
20 . TPL . rr_1ee7 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
. ACE 1 1 rr_1ee7 1
. PHE 2 2 rr_1ee7 1
. ABA 3 3 rr_1ee7 1
. SER 4 4 rr_1ee7 1
. ABA 5 5 rr_1ee7 1
. . 6 6 rr_1ee7 1
. LEU 7 7 rr_1ee7 1
. GLN 8 8 rr_1ee7 1
. GLY 9 9 rr_1ee7 1
. ABA 10 10 rr_1ee7 1
. ABA 11 11 rr_1ee7 1
. ALA 12 12 rr_1ee7 1
. ALA 13 13 rr_1ee7 1
. ABA 14 14 rr_1ee7 1
. PRO 15 15 rr_1ee7 1
. ABA 16 16 rr_1ee7 1
. ABA 17 17 rr_1ee7 1
. ABA 18 18 rr_1ee7 1
. GLN 19 19 rr_1ee7 1
. TPL 20 20 rr_1ee7 1
stop_
save_
save_chem_comp_ACE
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_ACE
_Chem_comp.Entry_ID rr_1ee7
_Chem_comp.ID ACE
_Chem_comp.Name "ACETYL GROUP"
_Chem_comp.Type non-polymer
_Chem_comp.PDB_code ACE
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "C2 H3 O"
_Chem_comp.Formula_weight 43.0451
loop_
_Chem_comp_common_name.Name
_Chem_comp_common_name.Type
_Chem_comp_common_name.Entry_ID
_Chem_comp_common_name.Comp_ID
acetaldehyde name rr_1ee7 ACE
stop_
save_
save_chem_comp_ABA
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_ABA
_Chem_comp.Entry_ID rr_1ee7
_Chem_comp.ID ABA
_Chem_comp.Name "ALPHA-AMINOBUTYRIC ACID"
_Chem_comp.Type "L-peptide linking"
_Chem_comp.PDB_code ABA
_Chem_comp.Std_deriv_one_letter_code A
_Chem_comp.Std_deriv_three_letter_code Ala
_Chem_comp.Std_deriv_PDB_code ALA
_Chem_comp.Std_deriv_chem_comp_name ALANINE
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "C4 H7 N O"
_Chem_comp.Formula_weight 85.1054
loop_
_Chem_comp_common_name.Name
_Chem_comp_common_name.Type
_Chem_comp_common_name.Entry_ID
_Chem_comp_common_name.Comp_ID
"(2R)-2-aminobutanoic acid" name rr_1ee7 ABA
stop_
save_
save_chem_comp_DIV
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_DIV
_Chem_comp.Entry_ID rr_1ee7
_Chem_comp.ID 1
_Chem_comp.Name Div
_Chem_comp.Type "L-peptide linking"
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "C5 H9 N O"
_Chem_comp.Formula_weight 99.1322
save_
save_chem_comp_TPL
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_TPL
_Chem_comp.Entry_ID rr_1ee7
_Chem_comp.ID TPL
_Chem_comp.Name TRYPTOPHANOL
_Chem_comp.Type non-polymer
_Chem_comp.PDB_code TPL
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic yes
_Chem_comp.Formula "C11 H14 N2 O"
_Chem_comp.Formula_weight 190.2444
save_
save_conformer_statistics
_Conformer_stat_list.Sf_category conformer_statistics
_Conformer_stat_list.Sf_framecode conformer_statistics
_Conformer_stat_list.Entry_ID rr_1ee7
_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_1ee7
_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_1ee7 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_1ee7 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 ACE C C -13.218 -2.653 0.197 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . rr_1ee7 1
. 1 . 2 . 1 1 1 ACE CH3 C -14.634 -2.277 0.471 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . rr_1ee7 1
. 1 . 3 . 1 1 1 ACE H1 H -15.093 -3.029 1.111 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . rr_1ee7 1
. 1 . 4 . 1 1 1 ACE H2 H -14.662 -1.308 0.970 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . rr_1ee7 1
. 1 . 5 . 1 1 1 ACE H3 H -15.182 -2.216 -0.470 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . rr_1ee7 1
. 1 . 6 . 1 1 1 ACE O O -12.296 -1.935 0.580 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . rr_1ee7 1
. 1 . 7 . 1 1 2 PHE C C -10.944 -3.230 -1.592 . . . 1.0 . . . . . . . . . . . . A . 2 PHE C . . . . . . . . . rr_1ee7 1
. 1 . 8 . 1 1 2 PHE CA C -11.733 -4.278 -0.805 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CA . . . . . . . . . rr_1ee7 1
. 1 . 9 . 1 1 2 PHE CB C -11.924 -5.519 -1.679 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CB . . . . . . . . . rr_1ee7 1
. 1 . 10 . 1 1 2 PHE CD1 C -10.206 -7.204 -0.987 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CD1 . . . . . . . . . rr_1ee7 1
. 1 . 11 . 1 1 2 PHE CD2 C -9.931 -6.131 -3.066 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CD2 . . . . . . . . . rr_1ee7 1
. 1 . 12 . 1 1 2 PHE CE1 C -9.014 -7.942 -1.210 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CE1 . . . . . . . . . rr_1ee7 1
. 1 . 13 . 1 1 2 PHE CE2 C -8.739 -6.870 -3.289 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CE2 . . . . . . . . . rr_1ee7 1
. 1 . 14 . 1 1 2 PHE CG C -10.640 -6.314 -1.920 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CG . . . . . . . . . rr_1ee7 1
. 1 . 15 . 1 1 2 PHE CZ C -8.305 -7.760 -2.357 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CZ . . . . . . . . . rr_1ee7 1
. 1 . 16 . 1 1 2 PHE H H -13.814 -4.366 -0.776 . . . 1.0 . . . . . . . . . . . . A . 2 PHE H . . . . . . . . . rr_1ee7 1
. 1 . 17 . 1 1 2 PHE HA H -11.219 -4.489 0.133 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HA . . . . . . . . . rr_1ee7 1
. 1 . 18 . 1 1 2 PHE HB2 H -12.661 -6.171 -1.211 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HB2 . . . . . . . . . rr_1ee7 1
. 1 . 19 . 1 1 2 PHE HB3 H -12.335 -5.213 -2.642 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HB3 . . . . . . . . . rr_1ee7 1
. 1 . 20 . 1 1 2 PHE HD1 H -10.774 -7.351 -0.068 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HD1 . . . . . . . . . rr_1ee7 1
. 1 . 21 . 1 1 2 PHE HD2 H -10.278 -5.418 -3.814 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HD2 . . . . . . . . . rr_1ee7 1
. 1 . 22 . 1 1 2 PHE HE1 H -8.667 -8.656 -0.463 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HE1 . . . . . . . . . rr_1ee7 1
. 1 . 23 . 1 1 2 PHE HE2 H -8.171 -6.723 -4.208 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HE2 . . . . . . . . . rr_1ee7 1
. 1 . 24 . 1 1 2 PHE HZ H -7.390 -8.326 -2.528 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HZ . . . . . . . . . rr_1ee7 1
. 1 . 25 . 1 1 2 PHE N N -13.059 -3.787 -0.469 . . . 1.0 . . . . . . . . . . . . A . 2 PHE N . . . . . . . . . rr_1ee7 1
. 1 . 26 . 1 1 2 PHE O O -9.740 -3.078 -1.396 . . . 1.0 . . . . . . . . . . . . A . 2 PHE O . . . . . . . . . rr_1ee7 1
. 1 . 27 . 1 1 3 ABA C C -10.429 -0.362 -2.305 . . . 1.0 . . . . . . . . . . . . A . 3 AIB C . . . . . . . . . rr_1ee7 1
. 1 . 28 . 1 1 3 ABA CA C -11.025 -1.412 -3.245 . . . 1.0 . . . . . . . . . . . . A . 3 AIB CA . . . . . . . . . rr_1ee7 1
. 1 . 29 . 1 1 3 ABA H H -12.617 -2.682 -2.598 . . . 1.0 . . . . . . . . . . . . A . 3 AIB H . . . . . . . . . rr_1ee7 1
. 1 . 30 . 1 1 3 ABA N N -11.637 -2.505 -2.489 . . . 1.0 . . . . . . . . . . . . A . 3 AIB N . . . . . . . . . rr_1ee7 1
. 1 . 31 . 1 1 3 ABA O O -9.281 0.048 -2.474 . . . 1.0 . . . . . . . . . . . . A . 3 AIB O . . . . . . . . . rr_1ee7 1
. 1 . 32 . 1 1 4 SER C C -9.967 0.331 0.744 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . rr_1ee7 1
. 1 . 33 . 1 1 4 SER CA C -10.790 1.014 -0.349 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . rr_1ee7 1
. 1 . 34 . 1 1 4 SER CB C -11.982 1.751 0.266 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . rr_1ee7 1
. 1 . 35 . 1 1 4 SER H H -12.162 -0.306 -1.196 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . rr_1ee7 1
. 1 . 36 . 1 1 4 SER HA H -10.175 1.721 -0.906 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . rr_1ee7 1
. 1 . 37 . 1 1 4 SER HB2 H -12.617 1.037 0.791 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB2 . . . . . . . . . rr_1ee7 1
. 1 . 38 . 1 1 4 SER HB3 H -11.623 2.464 1.007 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . rr_1ee7 1
. 1 . 39 . 1 1 4 SER HG H -12.478 3.396 -0.759 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . rr_1ee7 1
. 1 . 40 . 1 1 4 SER N N -11.230 0.033 -1.326 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . rr_1ee7 1
. 1 . 41 . 1 1 4 SER O O -9.326 1.000 1.553 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . rr_1ee7 1
. 1 . 42 . 1 1 4 SER OG O -12.752 2.436 -0.718 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . rr_1ee7 1
. 1 . 43 . 1 1 5 ABA C C -7.716 -1.840 1.249 . . . 1.0 . . . . . . . . . . . . A . 5 AIB C . . . . . . . . . rr_1ee7 1
. 1 . 44 . 1 1 5 ABA CA C -9.178 -1.793 1.697 . . . 1.0 . . . . . . . . . . . . A . 5 AIB CA . . . . . . . . . rr_1ee7 1
. 1 . 45 . 1 1 5 ABA H H -10.533 -1.496 0.073 . . . 1.0 . . . . . . . . . . . . A . 5 AIB H . . . . . . . . . rr_1ee7 1
. 1 . 46 . 1 1 5 ABA N N -9.989 -1.014 0.762 . . . 1.0 . . . . . . . . . . . . A . 5 AIB N . . . . . . . . . rr_1ee7 1
. 1 . 47 . 1 1 5 ABA O O -6.809 -1.637 2.055 . . . 1.0 . . . . . . . . . . . . A . 5 AIB O . . . . . . . . . rr_1ee7 1
. 1 . 48 . 1 1 6 . C C -5.606 -0.735 -0.657 . . . 1.0 . . . . . . . . . . . . A . 6 DIV C . . . . . . . . . rr_1ee7 1
. 1 . 49 . 1 1 6 . CA C -6.176 -2.152 -0.696 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CA . . . . . . . . . rr_1ee7 1
. 1 . 50 . 1 1 6 . CB1 C -5.190 -3.044 0.124 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CB1 . . . . . . . . . rr_1ee7 1
. 1 . 51 . 1 1 6 . CB2 C -6.303 -2.543 -2.202 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CB2 . . . . . . . . . rr_1ee7 1
. 1 . 52 . 1 1 6 . CG1 C -5.561 -4.547 0.208 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CG1 . . . . . . . . . rr_1ee7 1
. 1 . 53 . 1 1 6 . H H -8.298 -2.254 -0.661 . . . 1.0 . . . . . . . . . . . . A . 6 DIV H . . . . . . . . . rr_1ee7 1
. 1 . 54 . 1 1 6 . HB11 H -5.135 -2.691 1.154 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB11 . . . . . . . . . rr_1ee7 1
. 1 . 55 . 1 1 6 . HB12 H -4.209 -2.978 -0.346 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB12 . . . . . . . . . rr_1ee7 1
. 1 . 56 . 1 1 6 . HB21 H -6.282 -3.621 -2.359 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB21 . . . . . . . . . rr_1ee7 1
. 1 . 57 . 1 1 6 . HB22 H -5.510 -2.137 -2.829 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB22 . . . . . . . . . rr_1ee7 1
. 1 . 58 . 1 1 6 . HB23 H -7.255 -2.167 -2.578 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB23 . . . . . . . . . rr_1ee7 1
. 1 . 59 . 1 1 6 . HG11 H -4.781 -5.166 -0.237 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HG11 . . . . . . . . . rr_1ee7 1
. 1 . 60 . 1 1 6 . HG12 H -5.658 -4.836 1.255 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HG12 . . . . . . . . . rr_1ee7 1
. 1 . 61 . 1 1 6 . HG13 H -6.512 -4.748 -0.284 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HG13 . . . . . . . . . rr_1ee7 1
. 1 . 62 . 1 1 6 . N N -7.509 -2.098 -0.064 . . . 1.0 . . . . . . . . . . . . A . 6 DIV N . . . . . . . . . rr_1ee7 1
. 1 . 63 . 1 1 6 . O O -4.438 -0.618 -0.319 . . . 1.0 . . . . . . . . . . . . A . 6 DIV O . . . . . . . . . rr_1ee7 1
. 1 . 64 . 1 1 7 LEU C C -5.144 1.885 0.330 . . . 1.0 . . . . . . . . . . . . A . 7 LEU C . . . . . . . . . rr_1ee7 1
. 1 . 65 . 1 1 7 LEU CA C -5.919 1.643 -0.967 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CA . . . . . . . . . rr_1ee7 1
. 1 . 66 . 1 1 7 LEU CB C -7.071 2.625 -1.188 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CB . . . . . . . . . rr_1ee7 1
. 1 . 67 . 1 1 7 LEU CD1 C -6.445 2.802 -3.624 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD1 . . . . . . . . . rr_1ee7 1
. 1 . 68 . 1 1 7 LEU CD2 C -8.242 4.308 -2.656 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD2 . . . . . . . . . rr_1ee7 1
. 1 . 69 . 1 1 7 LEU CG C -6.933 3.562 -2.389 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CG . . . . . . . . . rr_1ee7 1
. 1 . 70 . 1 1 7 LEU H H -7.361 0.170 -1.263 . . . 1.0 . . . . . . . . . . . . A . 7 LEU H . . . . . . . . . rr_1ee7 1
. 1 . 71 . 1 1 7 LEU HA H -5.232 1.758 -1.806 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HA . . . . . . . . . rr_1ee7 1
. 1 . 72 . 1 1 7 LEU HB2 H -7.992 2.054 -1.301 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB2 . . . . . . . . . rr_1ee7 1
. 1 . 73 . 1 1 7 LEU HB3 H -7.181 3.233 -0.289 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB3 . . . . . . . . . rr_1ee7 1
. 1 . 74 . 1 1 7 LEU HD11 H -7.119 2.993 -4.459 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD11 . . . . . . . . . rr_1ee7 1
. 1 . 75 . 1 1 7 LEU HD12 H -5.441 3.137 -3.884 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD12 . . . . . . . . . rr_1ee7 1
. 1 . 76 . 1 1 7 LEU HD13 H -6.427 1.734 -3.409 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD13 . . . . . . . . . rr_1ee7 1
. 1 . 77 . 1 1 7 LEU HD21 H -8.835 4.340 -1.742 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD21 . . . . . . . . . rr_1ee7 1
. 1 . 78 . 1 1 7 LEU HD22 H -8.021 5.325 -2.982 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD22 . . . . . . . . . rr_1ee7 1
. 1 . 79 . 1 1 7 LEU HD23 H -8.803 3.791 -3.435 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD23 . . . . . . . . . rr_1ee7 1
. 1 . 80 . 1 1 7 LEU HG H -6.178 4.312 -2.153 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HG . . . . . . . . . rr_1ee7 1
. 1 . 81 . 1 1 7 LEU N N -6.406 0.275 -0.987 . . . 1.0 . . . . . . . . . . . . A . 7 LEU N . . . . . . . . . rr_1ee7 1
. 1 . 82 . 1 1 7 LEU O O -4.102 2.539 0.322 . . . 1.0 . . . . . . . . . . . . A . 7 LEU O . . . . . . . . . rr_1ee7 1
. 1 . 83 . 1 1 8 GLN C C -3.707 0.771 2.740 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . rr_1ee7 1
. 1 . 84 . 1 1 8 GLN CA C -5.055 1.494 2.715 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . rr_1ee7 1
. 1 . 85 . 1 1 8 GLN CB C -5.972 0.982 3.827 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . rr_1ee7 1
. 1 . 86 . 1 1 8 GLN CD C -7.097 1.858 5.908 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . rr_1ee7 1
. 1 . 87 . 1 1 8 GLN CG C -6.790 2.125 4.433 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . rr_1ee7 1
. 1 . 88 . 1 1 8 GLN H H -6.531 0.815 1.411 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . rr_1ee7 1
. 1 . 89 . 1 1 8 GLN HA H -4.903 2.566 2.842 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . rr_1ee7 1
. 1 . 90 . 1 1 8 GLN HB2 H -6.643 0.221 3.429 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . rr_1ee7 1
. 1 . 91 . 1 1 8 GLN HB3 H -5.376 0.506 4.605 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . rr_1ee7 1
. 1 . 92 . 1 1 8 GLN HE21 H -8.888 2.766 5.651 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . rr_1ee7 1
. 1 . 93 . 1 1 8 GLN HE22 H -8.578 2.177 7.250 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . rr_1ee7 1
. 1 . 94 . 1 1 8 GLN HG2 H -6.241 3.061 4.335 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . rr_1ee7 1
. 1 . 95 . 1 1 8 GLN HG3 H -7.722 2.242 3.879 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . rr_1ee7 1
. 1 . 96 . 1 1 8 GLN N N -5.683 1.345 1.413 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . rr_1ee7 1
. 1 . 97 . 1 1 8 GLN NE2 N -8.286 2.304 6.302 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . rr_1ee7 1
. 1 . 98 . 1 1 8 GLN O O -2.764 1.231 3.382 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . rr_1ee7 1
. 1 . 99 . 1 1 8 GLN OE1 O -6.305 1.286 6.639 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . rr_1ee7 1
. 1 . 100 . 1 1 9 GLY C C -1.453 -0.540 0.964 . . . 1.0 . . . . . . . . . . . . A . 9 GLY C . . . . . . . . . rr_1ee7 1
. 1 . 101 . 1 1 9 GLY CA C -2.441 -1.139 1.966 . . . 1.0 . . . . . . . . . . . . A . 9 GLY CA . . . . . . . . . rr_1ee7 1
. 1 . 102 . 1 1 9 GLY H H -4.430 -0.716 1.514 . . . 1.0 . . . . . . . . . . . . A . 9 GLY H . . . . . . . . . rr_1ee7 1
. 1 . 103 . 1 1 9 GLY HA2 H -1.980 -1.188 2.953 . . . 1.0 . . . . . . . . . . . . A . 9 GLY HA2 . . . . . . . . . rr_1ee7 1
. 1 . 104 . 1 1 9 GLY HA3 H -2.683 -2.162 1.677 . . . 1.0 . . . . . . . . . . . . A . 9 GLY HA3 . . . . . . . . . rr_1ee7 1
. 1 . 105 . 1 1 9 GLY N N -3.658 -0.348 2.033 . . . 1.0 . . . . . . . . . . . . A . 9 GLY N . . . . . . . . . rr_1ee7 1
. 1 . 106 . 1 1 9 GLY O O -0.253 -0.482 1.229 . . . 1.0 . . . . . . . . . . . . A . 9 GLY O . . . . . . . . . rr_1ee7 1
. 1 . 107 . 1 1 10 ABA C C -0.410 1.777 -0.597 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . rr_1ee7 1
. 1 . 108 . 1 1 10 ABA CA C -1.150 0.582 -1.202 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . rr_1ee7 1
. 1 . 109 . 1 1 10 ABA H H -2.956 -0.171 -0.345 . . . 1.0 . . . . . . . . . . . . A . 10 AIB H . . . . . . . . . rr_1ee7 1
. 1 . 110 . 1 1 10 ABA N N -1.969 -0.093 -0.195 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . rr_1ee7 1
. 1 . 111 . 1 1 10 ABA O O 0.805 1.902 -0.749 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . rr_1ee7 1
. 1 . 112 . 1 1 11 ABA C C 0.399 3.290 1.915 . . . 1.0 . . . . . . . . . . . . A . 11 AIB C . . . . . . . . . rr_1ee7 1
. 1 . 113 . 1 1 11 ABA CA C -0.557 3.777 0.824 . . . 1.0 . . . . . . . . . . . . A . 11 AIB CA . . . . . . . . . rr_1ee7 1
. 1 . 114 . 1 1 11 ABA H H -2.137 2.487 0.190 . . . 1.0 . . . . . . . . . . . . A . 11 AIB H . . . . . . . . . rr_1ee7 1
. 1 . 115 . 1 1 11 ABA N N -1.152 2.650 0.106 . . . 1.0 . . . . . . . . . . . . A . 11 AIB N . . . . . . . . . rr_1ee7 1
. 1 . 116 . 1 1 11 ABA O O 1.370 3.970 2.244 . . . 1.0 . . . . . . . . . . . . A . 11 AIB O . . . . . . . . . rr_1ee7 1
. 1 . 117 . 1 1 12 ALA C C 2.083 0.752 2.817 . . . 1.0 . . . . . . . . . . . . A . 12 ALA C . . . . . . . . . rr_1ee7 1
. 1 . 118 . 1 1 12 ALA CA C 0.928 1.514 3.470 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CA . . . . . . . . . rr_1ee7 1
. 1 . 119 . 1 1 12 ALA CB C 0.067 0.617 4.362 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CB . . . . . . . . . rr_1ee7 1
. 1 . 120 . 1 1 12 ALA H H -0.693 1.562 2.162 . . . 1.0 . . . . . . . . . . . . A . 12 ALA H . . . . . . . . . rr_1ee7 1
. 1 . 121 . 1 1 12 ALA HA H 1.335 2.324 4.076 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HA . . . . . . . . . rr_1ee7 1
. 1 . 122 . 1 1 12 ALA HB1 H 0.442 0.654 5.385 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB1 . . . . . . . . . rr_1ee7 1
. 1 . 123 . 1 1 12 ALA HB2 H -0.965 0.966 4.340 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB2 . . . . . . . . . rr_1ee7 1
. 1 . 124 . 1 1 12 ALA HB3 H 0.112 -0.409 3.996 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB3 . . . . . . . . . rr_1ee7 1
. 1 . 125 . 1 1 12 ALA N N 0.099 2.109 2.436 . . . 1.0 . . . . . . . . . . . . A . 12 ALA N . . . . . . . . . rr_1ee7 1
. 1 . 126 . 1 1 12 ALA O O 3.037 0.368 3.490 . . . 1.0 . . . . . . . . . . . . A . 12 ALA O . . . . . . . . . rr_1ee7 1
. 1 . 127 . 1 1 13 ALA C C 3.839 0.856 -0.001 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . rr_1ee7 1
. 1 . 128 . 1 1 13 ALA CA C 2.978 -0.154 0.761 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . rr_1ee7 1
. 1 . 129 . 1 1 13 ALA CB C 2.313 -1.171 -0.169 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . rr_1ee7 1
. 1 . 130 . 1 1 13 ALA H H 1.177 0.871 0.972 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . rr_1ee7 1
. 1 . 131 . 1 1 13 ALA HA H 3.605 -0.688 1.475 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . rr_1ee7 1
. 1 . 132 . 1 1 13 ALA HB1 H 2.086 -0.697 -1.124 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . rr_1ee7 1
. 1 . 133 . 1 1 13 ALA HB2 H 2.989 -2.011 -0.332 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . rr_1ee7 1
. 1 . 134 . 1 1 13 ALA HB3 H 1.391 -1.531 0.287 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . rr_1ee7 1
. 1 . 135 . 1 1 13 ALA N N 1.957 0.556 1.513 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . rr_1ee7 1
. 1 . 136 . 1 1 13 ALA O O 4.915 0.515 -0.490 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . rr_1ee7 1
. 1 . 137 . 1 1 14 ABA C C 5.573 3.174 -0.256 . . . 1.0 . . . . . . . . . . . . A . 14 AIB C . . . . . . . . . rr_1ee7 1
. 1 . 138 . 1 1 14 ABA CA C 4.115 3.190 -0.720 . . . 1.0 . . . . . . . . . . . . A . 14 AIB CA . . . . . . . . . rr_1ee7 1
. 1 . 139 . 1 1 14 ABA H H 2.470 2.315 0.326 . . . 1.0 . . . . . . . . . . . . A . 14 AIB H . . . . . . . . . rr_1ee7 1
. 1 . 140 . 1 1 14 ABA N N 3.354 2.107 -0.096 . . . 1.0 . . . . . . . . . . . . A . 14 AIB N . . . . . . . . . rr_1ee7 1
. 1 . 141 . 1 1 14 ABA O O 6.489 3.245 -1.075 . . . 1.0 . . . . . . . . . . . . A . 14 AIB O . . . . . . . . . rr_1ee7 1
. 1 . 142 . 1 1 15 PRO C C 7.734 1.655 1.435 . . . 1.0 . . . . . . . . . . . . A . 15 PRO C . . . . . . . . . rr_1ee7 1
. 1 . 143 . 1 1 15 PRO CA C 7.079 3.018 1.668 . . . 1.0 . . . . . . . . . . . . A . 15 PRO CA . . . . . . . . . rr_1ee7 1
. 1 . 144 . 1 1 15 PRO CB C 6.876 3.336 3.141 . . . 1.0 . . . . . . . . . . . . A . 15 PRO CB . . . . . . . . . rr_1ee7 1
. 1 . 145 . 1 1 15 PRO CD C 4.686 2.976 2.086 . . . 1.0 . . . . . . . . . . . . A . 15 PRO CD . . . . . . . . . rr_1ee7 1
. 1 . 146 . 1 1 15 PRO CG C 5.403 3.089 3.422 . . . 1.0 . . . . . . . . . . . . A . 15 PRO CG . . . . . . . . . rr_1ee7 1
. 1 . 147 . 1 1 15 PRO HA H 7.674 3.687 1.223 . . . 1.0 . . . . . . . . . . . . A . 15 PRO HA . . . . . . . . . rr_1ee7 1
. 1 . 148 . 1 1 15 PRO HB2 H 7.505 2.703 3.767 . . . 1.0 . . . . . . . . . . . . A . 15 PRO HB2 . . . . . . . . . rr_1ee7 1
. 1 . 149 . 1 1 15 PRO HB3 H 7.148 4.369 3.358 . . . 1.0 . . . . . . . . . . . . A . 15 PRO HB3 . . . . . . . . . rr_1ee7 1
. 1 . 150 . 1 1 15 PRO HD2 H 4.143 2.034 2.006 . . . 1.0 . . . . . . . . . . . . A . 15 PRO HD2 . . . . . . . . . rr_1ee7 1
. 1 . 151 . 1 1 15 PRO HD3 H 3.957 3.776 1.959 . . . 1.0 . . . . . . . . . . . . A . 15 PRO HD3 . . . . . . . . . rr_1ee7 1
. 1 . 152 . 1 1 15 PRO HG2 H 5.273 2.176 4.003 . . . 1.0 . . . . . . . . . . . . A . 15 PRO HG2 . . . . . . . . . rr_1ee7 1
. 1 . 153 . 1 1 15 PRO HG3 H 4.985 3.904 4.012 . . . 1.0 . . . . . . . . . . . . A . 15 PRO HG3 . . . . . . . . . rr_1ee7 1
. 1 . 154 . 1 1 15 PRO N N 5.748 3.062 1.087 . . . 1.0 . . . . . . . . . . . . A . 15 PRO N . . . . . . . . . rr_1ee7 1
. 1 . 155 . 1 1 15 PRO O O 8.809 1.572 0.844 . . . 1.0 . . . . . . . . . . . . A . 15 PRO O . . . . . . . . . rr_1ee7 1
. 1 . 156 . 1 1 16 ABA C C 8.233 -0.904 0.316 . . . 1.0 . . . . . . . . . . . . A . 16 AIB C . . . . . . . . . rr_1ee7 1
. 1 . 157 . 1 1 16 ABA CA C 7.542 -0.784 1.676 . . . 1.0 . . . . . . . . . . . . A . 16 AIB CA . . . . . . . . . rr_1ee7 1
. 1 . 158 . 1 1 16 ABA H H 6.201 0.723 2.379 . . . 1.0 . . . . . . . . . . . . A . 16 AIB H . . . . . . . . . rr_1ee7 1
. 1 . 159 . 1 1 16 ABA N N 7.073 0.583 1.907 . . . 1.0 . . . . . . . . . . . . A . 16 AIB N . . . . . . . . . rr_1ee7 1
. 1 . 160 . 1 1 16 ABA O O 9.292 -1.521 0.206 . . . 1.0 . . . . . . . . . . . . A . 16 AIB O . . . . . . . . . rr_1ee7 1
. 1 . 161 . 1 1 17 ABA C C 9.382 0.774 -2.093 . . . 1.0 . . . . . . . . . . . . A . 17 AIB C . . . . . . . . . rr_1ee7 1
. 1 . 162 . 1 1 17 ABA CA C 8.237 -0.240 -2.051 . . . 1.0 . . . . . . . . . . . . A . 17 AIB CA . . . . . . . . . rr_1ee7 1
. 1 . 163 . 1 1 17 ABA H H 6.770 0.192 -0.559 . . . 1.0 . . . . . . . . . . . . A . 17 AIB H . . . . . . . . . rr_1ee7 1
. 1 . 164 . 1 1 17 ABA N N 7.631 -0.293 -0.720 . . . 1.0 . . . . . . . . . . . . A . 17 AIB N . . . . . . . . . rr_1ee7 1
. 1 . 165 . 1 1 17 ABA O O 10.484 0.453 -2.535 . . . 1.0 . . . . . . . . . . . . A . 17 AIB O . . . . . . . . . rr_1ee7 1
. 1 . 166 . 1 1 18 ABA C C 11.416 2.469 -0.857 . . . 1.0 . . . . . . . . . . . . A . 18 AIB C . . . . . . . . . rr_1ee7 1
. 1 . 167 . 1 1 18 ABA CA C 10.146 3.032 -1.497 . . . 1.0 . . . . . . . . . . . . A . 18 AIB CA . . . . . . . . . rr_1ee7 1
. 1 . 168 . 1 1 18 ABA H H 8.195 2.194 -1.268 . . . 1.0 . . . . . . . . . . . . A . 18 AIB H . . . . . . . . . rr_1ee7 1
. 1 . 169 . 1 1 18 ABA N N 9.115 2.001 -1.613 . . . 1.0 . . . . . . . . . . . . A . 18 AIB N . . . . . . . . . rr_1ee7 1
. 1 . 170 . 1 1 18 ABA O O 12.501 3.026 -1.026 . . . 1.0 . . . . . . . . . . . . A . 18 AIB O . . . . . . . . . rr_1ee7 1
. 1 . 171 . 1 1 19 GLN C C 13.212 -0.040 -0.524 . . . 1.0 . . . . . . . . . . . . A . 19 GLN C . . . . . . . . . rr_1ee7 1
. 1 . 172 . 1 1 19 GLN CA C 12.364 0.710 0.505 . . . 1.0 . . . . . . . . . . . . A . 19 GLN CA . . . . . . . . . rr_1ee7 1
. 1 . 173 . 1 1 19 GLN CB C 11.882 -0.232 1.610 . . . 1.0 . . . . . . . . . . . . A . 19 GLN CB . . . . . . . . . rr_1ee7 1
. 1 . 174 . 1 1 19 GLN CD C 12.061 1.427 3.501 . . . 1.0 . . . . . . . . . . . . A . 19 GLN CD . . . . . . . . . rr_1ee7 1
. 1 . 175 . 1 1 19 GLN CG C 11.118 0.535 2.691 . . . 1.0 . . . . . . . . . . . . A . 19 GLN CG . . . . . . . . . rr_1ee7 1
. 1 . 176 . 1 1 19 GLN H H 10.358 0.919 -0.014 . . . 1.0 . . . . . . . . . . . . A . 19 GLN H . . . . . . . . . rr_1ee7 1
. 1 . 177 . 1 1 19 GLN HA H 12.949 1.514 0.952 . . . 1.0 . . . . . . . . . . . . A . 19 GLN HA . . . . . . . . . rr_1ee7 1
. 1 . 178 . 1 1 19 GLN HB2 H 11.240 -1.002 1.182 . . . 1.0 . . . . . . . . . . . . A . 19 GLN HB2 . . . . . . . . . rr_1ee7 1
. 1 . 179 . 1 1 19 GLN HB3 H 12.736 -0.742 2.057 . . . 1.0 . . . . . . . . . . . . A . 19 GLN HB3 . . . . . . . . . rr_1ee7 1
. 1 . 180 . 1 1 19 GLN HE21 H 11.297 3.033 2.535 . . . 1.0 . . . . . . . . . . . . A . 19 GLN HE21 . . . . . . . . . rr_1ee7 1
. 1 . 181 . 1 1 19 GLN HE22 H 12.528 3.386 3.701 . . . 1.0 . . . . . . . . . . . . A . 19 GLN HE22 . . . . . . . . . rr_1ee7 1
. 1 . 182 . 1 1 19 GLN HG2 H 10.342 1.146 2.228 . . . 1.0 . . . . . . . . . . . . A . 19 GLN HG2 . . . . . . . . . rr_1ee7 1
. 1 . 183 . 1 1 19 GLN HG3 H 10.616 -0.168 3.355 . . . 1.0 . . . . . . . . . . . . A . 19 GLN HG3 . . . . . . . . . rr_1ee7 1
. 1 . 184 . 1 1 19 GLN N N 11.243 1.365 -0.147 . . . 1.0 . . . . . . . . . . . . A . 19 GLN N . . . . . . . . . rr_1ee7 1
. 1 . 185 . 1 1 19 GLN NE2 N 11.953 2.723 3.222 . . . 1.0 . . . . . . . . . . . . A . 19 GLN NE2 . . . . . . . . . rr_1ee7 1
. 1 . 186 . 1 1 19 GLN O O 14.435 0.091 -0.540 . . . 1.0 . . . . . . . . . . . . A . 19 GLN O . . . . . . . . . rr_1ee7 1
. 1 . 187 . 1 1 19 GLN OE1 O 12.835 0.968 4.325 . . . 1.0 . . . . . . . . . . . . A . 19 GLN OE1 . . . . . . . . . rr_1ee7 1
. 1 . 188 . 1 1 20 TPL C C 13.705 -0.830 -3.639 . . . 1.0 . . . . . . . . . . . . A . 20 TPL C . . . . . . . . . rr_1ee7 1
. 1 . 189 . 1 1 20 TPL CA C 13.336 -1.651 -2.375 . . . 1.0 . . . . . . . . . . . . A . 20 TPL CA . . . . . . . . . rr_1ee7 1
. 1 . 190 . 1 1 20 TPL CB1 C 12.479 -2.881 -2.783 . . . 1.0 . . . . . . . . . . . . A . 20 TPL CB1 . . . . . . . . . rr_1ee7 1
. 1 . 191 . 1 1 20 TPL CD1 C 10.348 -3.743 -1.648 . . . 1.0 . . . . . . . . . . . . A . 20 TPL CD1 . . . . . . . . . rr_1ee7 1
. 1 . 192 . 1 1 20 TPL CD2 C 12.059 -3.276 -0.188 . . . 1.0 . . . . . . . . . . . . A . 20 TPL CD2 . . . . . . . . . rr_1ee7 1
. 1 . 193 . 1 1 20 TPL CE2 C 10.933 -3.723 0.474 . . . 1.0 . . . . . . . . . . . . A . 20 TPL CE2 . . . . . . . . . rr_1ee7 1
. 1 . 194 . 1 1 20 TPL CE3 C 13.234 -2.927 0.474 . . . 1.0 . . . . . . . . . . . . A . 20 TPL CE3 . . . . . . . . . rr_1ee7 1
. 1 . 195 . 1 1 20 TPL CG C 11.616 -3.300 -1.628 . . . 1.0 . . . . . . . . . . . . A . 20 TPL CG . . . . . . . . . rr_1ee7 1
. 1 . 196 . 1 1 20 TPL CH2 C 12.082 -3.498 2.552 . . . 1.0 . . . . . . . . . . . . A . 20 TPL CH2 . . . . . . . . . rr_1ee7 1
. 1 . 197 . 1 1 20 TPL CZ2 C 10.910 -3.846 1.863 . . . 1.0 . . . . . . . . . . . . A . 20 TPL CZ2 . . . . . . . . . rr_1ee7 1
. 1 . 198 . 1 1 20 TPL CZ3 C 13.222 -3.043 1.870 . . . 1.0 . . . . . . . . . . . . A . 20 TPL CZ3 . . . . . . . . . rr_1ee7 1
. 1 . 199 . 1 1 20 TPL H H 11.588 -0.964 -1.408 . . . 1.0 . . . . . . . . . . . . A . 20 TPL H . . . . . . . . . rr_1ee7 1
. 1 . 200 . 1 1 20 TPL HA H 14.295 -1.970 -1.933 . . . 1.0 . . . . . . . . . . . . A . 20 TPL HA . . . . . . . . . rr_1ee7 1
. 1 . 201 . 1 1 20 TPL HB1 H 13.106 -3.749 -3.033 . . . 1.0 . . . . . . . . . . . . A . 20 TPL HB1 . . . . . . . . . rr_1ee7 1
. 1 . 202 . 1 1 20 TPL HB2 H 11.870 -2.633 -3.667 . . . 1.0 . . . . . . . . . . . . A . 20 TPL HB2 . . . . . . . . . rr_1ee7 1
. 1 . 203 . 1 1 20 TPL HC1 H 12.885 -0.130 -3.871 . . . 1.0 . . . . . . . . . . . . A . 20 TPL HC1 . . . . . . . . . rr_1ee7 1
. 1 . 204 . 1 1 20 TPL HC2 H 13.847 -1.511 -4.496 . . . 1.0 . . . . . . . . . . . . A . 20 TPL HC2 . . . . . . . . . rr_1ee7 1
. 1 . 205 . 1 1 20 TPL HD1 H 9.746 -3.872 -2.547 . . . 1.0 . . . . . . . . . . . . A . 20 TPL HD1 . . . . . . . . . rr_1ee7 1
. 1 . 206 . 1 1 20 TPL HE1 H 9.021 -4.329 -0.168 . . . 1.0 . . . . . . . . . . . . A . 20 TPL HE1 . . . . . . . . . rr_1ee7 1
. 1 . 207 . 1 1 20 TPL HE3 H 14.109 -2.585 -0.067 . . . 1.0 . . . . . . . . . . . . A . 20 TPL HE3 . . . . . . . . . rr_1ee7 1
. 1 . 208 . 1 1 20 TPL HH2 H 12.106 -3.581 3.633 . . . 1.0 . . . . . . . . . . . . A . 20 TPL HH2 . . . . . . . . . rr_1ee7 1
. 1 . 209 . 1 1 20 TPL HXT H 15.167 -0.100 -2.463 . . . 1.0 . . . . . . . . . . . . A . 20 TPL HXT . . . . . . . . . rr_1ee7 1
. 1 . 210 . 1 1 20 TPL HZ2 H 10.026 -4.196 2.384 . . . 1.0 . . . . . . . . . . . . A . 20 TPL HZ2 . . . . . . . . . rr_1ee7 1
. 1 . 211 . 1 1 20 TPL HZ3 H 14.112 -2.779 2.432 . . . 1.0 . . . . . . . . . . . . A . 20 TPL HZ3 . . . . . . . . . rr_1ee7 1
. 1 . 212 . 1 1 20 TPL N N 12.581 -0.848 -1.410 . . . 1.0 . . . . . . . . . . . . A . 20 TPL N . . . . . . . . . rr_1ee7 1
. 1 . 213 . 1 1 20 TPL NE1 N 9.960 -3.986 -0.421 . . . 1.0 . . . . . . . . . . . . A . 20 TPL NE1 . . . . . . . . . rr_1ee7 1
. 1 . 214 . 1 1 20 TPL OXT O 14.912 -0.092 -3.380 . . . 1.0 . . . . . . . . . . . . A . 20 TPL OXT . . . . . . . . . rr_1ee7 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_1ee7
_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 1ee7.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_1ee7 1
1 1ee7.mr . . DYANA/DIANA 2 distance NOE simple 339 rr_1ee7 1
1 1ee7.mr . . DYANA/DIANA 3 "dihedral angle" "Not applicable" "Not applicable" 47 rr_1ee7 1
1 1ee7.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1ee7 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_1ee7
_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: '1ee7'" . . . . distance "general distance" . 127 rr_1ee7 1
2 "From CCPN project: '1ee7'" . . . . "dihedral angle" "Not applicable" . 20 rr_1ee7 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 1ee7.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_1ee7 1
1 1ee7.mr . . DYANA/DIANA 2 distance NOE simple 339 rr_1ee7 1
1 1ee7.mr . . DYANA/DIANA 3 "dihedral angle" "Not applicable" "Not applicable" 47 rr_1ee7 1
1 1ee7.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1ee7 1
stop_
save_
save_DYANA/DIANA_distance_constraints_2
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_2
_Gen_dist_constraint_list.Entry_ID rr_1ee7
_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 2
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_1ee7 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 2 2 PHE HB3 H . . . 1 1 2 2 PHE H H . . . . . . . 2.80 . . . . . A . 2 PHE H . . A . 2 PHE HB3 . . . 2 PHE HN . . . . . 2 PHE HB2 . . rr_1ee7 1
2 1 . . 1 1 3 3 ABA H H . . . 1 1 2 2 PHE H H . . . . . . . 2.70 . . . . . A . 2 PHE H . . A . 3 AIB H . . . 2 PHE HN . . . . . 3 AIB HN . . rr_1ee7 1
3 1 . . 1 1 4 4 SER H H . . . 1 1 2 2 PHE H H . . . . . . . 5.00 . . . . . A . 2 PHE H . . A . 4 SER H . . . 2 PHE HN . . . . . 4 SER HN . . rr_1ee7 1
4 1 . . 1 1 2 2 PHE H H . . . 1 1 5 5 ABA H H . . . . . . . 6.40 . . . . . A . 2 PHE H . . A . 5 AIB H . . . 2 PHE HN . . . . . 5 AIB HN . . rr_1ee7 1
5 1 . . 1 1 2 2 PHE HA H . . . 1 1 2 2 PHE HB3 H . . . . . . . 2.60 . . . . . A . 2 PHE HA . . A . 2 PHE HB3 . . . 2 PHE HA . . . . . 2 PHE HB2 . . rr_1ee7 1
6 1 . . 1 1 2 2 PHE HA H . . . 1 1 3 3 ABA H H . . . . . . . 3.50 . . . . . A . 2 PHE HA . . A . 3 AIB H . . . 2 PHE HA . . . . . 3 AIB HN . . rr_1ee7 1
7 1 . . 1 1 2 2 PHE HA H . . . 1 1 4 4 SER H H . . . . . . . 4.50 . . . . . A . 2 PHE HA . . A . 4 SER H . . . 2 PHE HA . . . . . 4 SER HN . . rr_1ee7 1
8 1 . . 1 1 2 2 PHE HA H . . . 1 1 5 5 ABA H H . . . . . . . 3.70 . . . . . A . 2 PHE HA . . A . 5 AIB H . . . 2 PHE HA . . . . . 5 AIB HN . . rr_1ee7 1
9 1 . . 1 1 2 2 PHE HB3 H . . . 1 1 3 3 ABA H H . . . . . . . 3.70 . . . . . A . 2 PHE HB3 . . A . 3 AIB H . . . 2 PHE HB2 . . . . . 3 AIB HN . . rr_1ee7 1
10 1 . . 1 1 2 2 PHE HB3 H . . . 1 1 5 5 ABA H H . . . . . . . 6.40 . . . . . A . 2 PHE HB3 . . A . 5 AIB H . . . 2 PHE HB2 . . . . . 5 AIB HN . . rr_1ee7 1
11 1 . . 1 1 2 2 PHE QD H . . . 1 1 3 3 ABA H H . . . . . . . 7.40 . . . . . A . 2 PHE QD . . A . 3 AIB H . . . 2 PHE QD . . . . . 3 AIB HN . . rr_1ee7 1
12 1 . . 1 1 2 2 PHE QD H . . . 1 1 4 4 SER H H . . . . . . . 7.40 . . . . . A . 2 PHE QD . . A . 4 SER H . . . 2 PHE QD . . . . . 4 SER HN . . rr_1ee7 1
13 1 . . 1 1 2 2 PHE QD H . . . 1 1 5 5 ABA H H . . . . . . . 8.40 . . . . . A . 2 PHE QD . . A . 5 AIB H . . . 2 PHE QD . . . . . 5 AIB HN . . rr_1ee7 1
14 1 . . 1 1 3 3 ABA H H . . . 1 1 4 4 SER H H . . . . . . . 3.00 . . . . . A . 3 AIB H . . A . 4 SER H . . . 3 AIB HN . . . . . 4 SER HN . . rr_1ee7 1
15 1 . . 1 1 3 3 ABA H H . . . 1 1 4 4 SER HA H . . . . . . . 6.40 . . . . . A . 3 AIB H . . A . 4 SER HA . . . 3 AIB HN . . . . . 4 SER HA . . rr_1ee7 1
16 1 OR . 1 1 3 3 ABA H H . . . 1 1 4 4 SER HB2 H . . . . . . . 7.40 . . . . . A . 3 AIB H . . A . 4 SER HB2 . . . 3 AIB HN . . . . . 4 SER QB . . rr_1ee7 1
16 2 OR . 1 1 3 3 ABA H H . . . 1 1 4 4 SER HB3 H . . . . . . . 7.40 . . . . . A . 3 AIB H . . A . 4 SER HB3 . . . 3 AIB HN . . . . . 4 SER QB . . rr_1ee7 1
17 1 . . 1 1 3 3 ABA H H . . . 1 1 5 5 ABA H H . . . . . . . 4.80 . . . . . A . 3 AIB H . . A . 5 AIB H . . . 3 AIB HN . . . . . 5 AIB HN . . rr_1ee7 1
18 1 . . 1 1 4 4 SER H H . . . 1 1 4 4 SER HA H . . . . . . . 2.80 . . . . . A . 4 SER H . . A . 4 SER HA . . . 4 SER HN . . . . . 4 SER HA . . rr_1ee7 1
19 1 OR . 1 1 4 4 SER H H . . . 1 1 4 4 SER HB2 H . . . . . . . 3.50 . . . . . A . 4 SER H . . A . 4 SER HB2 . . . 4 SER HN . . . . . 4 SER QB . . rr_1ee7 1
19 2 OR . 1 1 4 4 SER H H . . . 1 1 4 4 SER HB3 H . . . . . . . 3.50 . . . . . A . 4 SER H . . A . 4 SER HB3 . . . 4 SER HN . . . . . 4 SER QB . . rr_1ee7 1
20 1 . . 1 1 4 4 SER H H . . . 1 1 5 5 ABA H H . . . . . . . 2.80 . . . . . A . 4 SER H . . A . 5 AIB H . . . 4 SER HN . . . . . 5 AIB HN . . rr_1ee7 1
21 1 . . 1 1 4 4 SER H H . . . 1 1 7 7 LEU H H . . . . . . . 5.00 . . . . . A . 4 SER H . . A . 7 LEU H . . . 4 SER HN . . . . . 7 LEU HN . . rr_1ee7 1
22 1 . . 1 1 4 4 SER H H . . . 1 1 7 7 LEU HB3 H . . . . . . . 5.90 . . . . . A . 4 SER H . . A . 7 LEU HB3 . . . 4 SER HN . . . . . 7 LEU HB2 . . rr_1ee7 1
23 1 . . 1 1 4 4 SER HA H . . . 1 1 5 5 ABA H H . . . . . . . 3.30 . . . . . A . 4 SER HA . . A . 5 AIB H . . . 4 SER HA . . . . . 5 AIB HN . . rr_1ee7 1
24 1 . . 1 1 4 4 SER HA H . . . 1 1 7 7 LEU H H . . . . . . . 4.00 . . . . . A . 4 SER HA . . A . 7 LEU H . . . 4 SER HA . . . . . 7 LEU HN . . rr_1ee7 1
25 1 . . 1 1 4 4 SER HA H . . . 1 1 7 7 LEU HB3 H . . . . . . . 3.30 . . . . . A . 4 SER HA . . A . 7 LEU HB3 . . . 4 SER HA . . . . . 7 LEU HB2 . . rr_1ee7 1
26 1 . . 1 1 4 4 SER HA H . . . 1 1 7 7 LEU MD1 H . . . . . . . 7.40 . . . . . A . 4 SER HA . . A . 7 LEU MD1 . . . 4 SER HA . . . . . 7 LEU QD1 . . rr_1ee7 1
27 1 . . 1 1 4 4 SER HA H . . . 1 1 7 7 LEU MD2 H . . . . . . . 6.00 . . . . . A . 4 SER HA . . A . 7 LEU MD2 . . . 4 SER HA . . . . . 7 LEU QD2 . . rr_1ee7 1
28 1 OR . 1 1 5 5 ABA H H . . . 1 1 4 4 SER HB2 H . . . . . . . 4.20 . . . . . A . 4 SER HB2 . . A . 5 AIB H . . . 4 SER QB . . . . . 5 AIB HN . . rr_1ee7 1
28 2 OR . 1 1 5 5 ABA H H . . . 1 1 4 4 SER HB3 H . . . . . . . 4.20 . . . . . A . 4 SER HB3 . . A . 5 AIB H . . . 4 SER QB . . . . . 5 AIB HN . . rr_1ee7 1
29 1 OR . 1 1 7 7 LEU MD2 H . . . 1 1 4 4 SER HB2 H . . . . . . . 8.40 . . . . . A . 4 SER HB2 . . A . 7 LEU MD2 . . . 4 SER QB . . . . . 7 LEU QD2 . . rr_1ee7 1
29 2 OR . 1 1 4 4 SER HB3 H . . . 1 1 7 7 LEU MD2 H . . . . . . . 8.40 . . . . . A . 4 SER HB3 . . A . 7 LEU MD2 . . . 4 SER QB . . . . . 7 LEU QD2 . . rr_1ee7 1
30 1 OR . 1 1 4 4 SER HB2 H . . . 1 1 8 8 GLN HG2 H . . . . . . . 8.28 . . . . . A . 4 SER HB2 . . A . 8 GLN HG2 . . . 4 SER QB . . . . . 8 GLN QG . . rr_1ee7 1
30 2 OR . 1 1 4 4 SER HB3 H . . . 1 1 8 8 GLN HG2 H . . . . . . . 8.28 . . . . . A . 4 SER HB3 . . A . 8 GLN HG2 . . . 4 SER QB . . . . . 8 GLN QG . . rr_1ee7 1
30 3 OR . 1 1 8 8 GLN HG3 H . . . 1 1 4 4 SER HB2 H . . . . . . . 8.28 . . . . . A . 4 SER HB2 . . A . 8 GLN HG3 . . . 4 SER QB . . . . . 8 GLN QG . . rr_1ee7 1
30 4 OR . 1 1 4 4 SER HB3 H . . . 1 1 8 8 GLN HG3 H . . . . . . . 8.28 . . . . . A . 4 SER HB3 . . A . 8 GLN HG3 . . . 4 SER QB . . . . . 8 GLN QG . . rr_1ee7 1
31 1 OR . 1 1 8 8 GLN HE21 H . . . 1 1 4 4 SER HB2 H . . . . . . . 7.40 . . . . . A . 4 SER HB2 . . A . 8 GLN HE21 . . . 4 SER QB . . . . . 8 GLN HE21 . . rr_1ee7 1
31 2 OR . 1 1 4 4 SER HB3 H . . . 1 1 8 8 GLN HE21 H . . . . . . . 7.40 . . . . . A . 4 SER HB3 . . A . 8 GLN HE21 . . . 4 SER QB . . . . . 8 GLN HE21 . . rr_1ee7 1
32 1 OR . 1 1 8 8 GLN HE22 H . . . 1 1 4 4 SER HB2 H . . . . . . . 7.40 . . . . . A . 4 SER HB2 . . A . 8 GLN HE22 . . . 4 SER QB . . . . . 8 GLN HE22 . . rr_1ee7 1
32 2 OR . 1 1 4 4 SER HB3 H . . . 1 1 8 8 GLN HE22 H . . . . . . . 7.40 . . . . . A . 4 SER HB3 . . A . 8 GLN HE22 . . . 4 SER QB . . . . . 8 GLN HE22 . . rr_1ee7 1
33 1 . . 1 1 7 7 LEU H H . . . 1 1 7 7 LEU HA H . . . . . . . 2.90 . . . . . A . 7 LEU H . . A . 7 LEU HA . . . 7 LEU HN . . . . . 7 LEU HA . . rr_1ee7 1
34 1 . . 1 1 7 7 LEU HB3 H . . . 1 1 7 7 LEU H H . . . . . . . 3.20 . . . . . A . 7 LEU H . . A . 7 LEU HB3 . . . 7 LEU HN . . . . . 7 LEU HB2 . . rr_1ee7 1
35 1 . . 1 1 7 7 LEU MD1 H . . . 1 1 7 7 LEU H H . . . . . . . 6.00 . . . . . A . 7 LEU H . . A . 7 LEU MD1 . . . 7 LEU HN . . . . . 7 LEU QD1 . . rr_1ee7 1
36 1 . . 1 1 7 7 LEU MD2 H . . . 1 1 7 7 LEU H H . . . . . . . 6.00 . . . . . A . 7 LEU H . . A . 7 LEU MD2 . . . 7 LEU HN . . . . . 7 LEU QD2 . . rr_1ee7 1
37 1 . . 1 1 7 7 LEU H H . . . 1 1 8 8 GLN H H . . . . . . . 2.80 . . . . . A . 7 LEU H . . A . 8 GLN H . . . 7 LEU HN . . . . . 8 GLN HN . . rr_1ee7 1
38 1 . . 1 1 7 7 LEU H H . . . 1 1 8 8 GLN HB3 H . . . . . . . 5.90 . . . . . A . 7 LEU H . . A . 8 GLN HB3 . . . 7 LEU HN . . . . . 8 GLN HB2 . . rr_1ee7 1
39 1 . . 1 1 7 7 LEU H H . . . 1 1 8 8 GLN HG3 H . . . . . . . 6.40 . . . . . A . 7 LEU H . . A . 8 GLN HG3 . . . 7 LEU HN . . . . . 8 GLN HG2 . . rr_1ee7 1
40 1 . . 1 1 7 7 LEU H H . . . 1 1 9 9 GLY H H . . . . . . . 4.20 . . . . . A . 7 LEU H . . A . 9 GLY H . . . 7 LEU HN . . . . . 9 GLY HN . . rr_1ee7 1
41 1 . . 1 1 7 7 LEU HA H . . . 1 1 7 7 LEU HG H . . . . . . . 4.10 . . . . . A . 7 LEU HA . . A . 7 LEU HG . . . 7 LEU HA . . . . . 7 LEU HG . . rr_1ee7 1
42 1 . . 1 1 7 7 LEU MD1 H . . . 1 1 7 7 LEU HA H . . . . . . . 4.30 . . . . . A . 7 LEU HA . . A . 7 LEU MD1 . . . 7 LEU HA . . . . . 7 LEU QD1 . . rr_1ee7 1
43 1 . . 1 1 7 7 LEU MD2 H . . . 1 1 7 7 LEU HA H . . . . . . . 7.40 . . . . . A . 7 LEU HA . . A . 7 LEU MD2 . . . 7 LEU HA . . . . . 7 LEU QD2 . . rr_1ee7 1
44 1 . . 1 1 7 7 LEU HA H . . . 1 1 9 9 GLY H H . . . . . . . 4.30 . . . . . A . 7 LEU HA . . A . 9 GLY H . . . 7 LEU HA . . . . . 9 GLY HN . . rr_1ee7 1
45 1 . . 1 1 7 7 LEU HA H . . . 1 1 10 10 ABA H H . . . . . . . 3.60 . . . . . A . 7 LEU HA . . A . 10 AIB H . . . 7 LEU HA . . . . . 10 AIB HN . . rr_1ee7 1
46 1 . . 1 1 7 7 LEU HA H . . . 1 1 11 11 ABA H H . . . . . . . 4.40 . . . . . A . 7 LEU HA . . A . 11 AIB H . . . 7 LEU HA . . . . . 11 AIB HN . . rr_1ee7 1
47 1 . . 1 1 7 7 LEU HB3 H . . . 1 1 8 8 GLN H H . . . . . . . 3.30 . . . . . A . 7 LEU HB3 . . A . 8 GLN H . . . 7 LEU HB2 . . . . . 8 GLN HN . . rr_1ee7 1
48 1 . . 1 1 7 7 LEU HB3 H . . . 1 1 8 8 GLN HA H . . . . . . . 5.20 . . . . . A . 7 LEU HB3 . . A . 8 GLN HA . . . 7 LEU HB2 . . . . . 8 GLN HA . . rr_1ee7 1
49 1 OR . 1 1 7 7 LEU HB3 H . . . 1 1 8 8 GLN HG2 H . . . . . . . 7.28 . . . . . A . 7 LEU HB3 . . A . 8 GLN HG2 . . . 7 LEU HB2 . . . . . 8 GLN QG . . rr_1ee7 1
49 2 OR . 1 1 7 7 LEU HB3 H . . . 1 1 8 8 GLN HG3 H . . . . . . . 7.28 . . . . . A . 7 LEU HB3 . . A . 8 GLN HG3 . . . 7 LEU HB2 . . . . . 8 GLN QG . . rr_1ee7 1
50 1 . . 1 1 7 7 LEU HB3 H . . . 1 1 9 9 GLY H H . . . . . . . 6.40 . . . . . A . 7 LEU HB3 . . A . 9 GLY H . . . 7 LEU HB2 . . . . . 9 GLY HN . . rr_1ee7 1
51 1 . . 1 1 8 8 GLN H H . . . 1 1 7 7 LEU HG H . . . . . . . 5.00 . . . . . A . 7 LEU HG . . A . 8 GLN H . . . 7 LEU HG . . . . . 8 GLN HN . . rr_1ee7 1
52 1 . . 1 1 10 10 ABA H H . . . 1 1 7 7 LEU HG H . . . . . . . 6.40 . . . . . A . 7 LEU HG . . A . 10 AIB H . . . 7 LEU HG . . . . . 10 AIB HN . . rr_1ee7 1
53 1 . . 1 1 7 7 LEU MD1 H . . . 1 1 8 8 GLN H H . . . . . . . 7.40 . . . . . A . 7 LEU MD1 . . A . 8 GLN H . . . 7 LEU QD1 . . . . . 8 GLN HN . . rr_1ee7 1
54 1 . . 1 1 7 7 LEU MD1 H . . . 1 1 10 10 ABA H H . . . . . . . 7.40 . . . . . A . 7 LEU MD1 . . A . 10 AIB H . . . 7 LEU QD1 . . . . . 10 AIB HN . . rr_1ee7 1
55 1 . . 1 1 7 7 LEU MD1 H . . . 1 1 11 11 ABA H H . . . . . . . 7.40 . . . . . A . 7 LEU MD1 . . A . 11 AIB H . . . 7 LEU QD1 . . . . . 11 AIB HN . . rr_1ee7 1
56 1 . . 1 1 7 7 LEU MD2 H . . . 1 1 8 8 GLN H H . . . . . . . 7.40 . . . . . A . 7 LEU MD2 . . A . 8 GLN H . . . 7 LEU QD2 . . . . . 8 GLN HN . . rr_1ee7 1
57 1 . . 1 1 8 8 GLN HB3 H . . . 1 1 8 8 GLN H H . . . . . . . 2.70 . . . . . A . 8 GLN H . . A . 8 GLN HB3 . . . 8 GLN HN . . . . . 8 GLN HB2 . . rr_1ee7 1
58 1 . . 1 1 8 8 GLN HG3 H . . . 1 1 8 8 GLN H H . . . . . . . 4.70 . . . . . A . 8 GLN H . . A . 8 GLN HG3 . . . 8 GLN HN . . . . . 8 GLN HG2 . . rr_1ee7 1
59 1 OR . 1 1 8 8 GLN H H . . . 1 1 8 8 GLN HG2 H . . . . . . . 4.42 . . . . . A . 8 GLN H . . A . 8 GLN HG2 . . . 8 GLN HN . . . . . 8 GLN QG . . rr_1ee7 1
59 2 OR . 1 1 8 8 GLN HG3 H . . . 1 1 8 8 GLN H H . . . . . . . 4.42 . . . . . A . 8 GLN H . . A . 8 GLN HG3 . . . 8 GLN HN . . . . . 8 GLN QG . . rr_1ee7 1
60 1 . . 1 1 9 9 GLY H H . . . 1 1 8 8 GLN H H . . . . . . . 2.60 . . . . . A . 8 GLN H . . A . 9 GLY H . . . 8 GLN HN . . . . . 9 GLY HN . . rr_1ee7 1
61 1 . . 1 1 10 10 ABA H H . . . 1 1 8 8 GLN H H . . . . . . . 5.10 . . . . . A . 8 GLN H . . A . 10 AIB H . . . 8 GLN HN . . . . . 10 AIB HN . . rr_1ee7 1
62 1 . . 1 1 9 9 GLY H H . . . 1 1 8 8 GLN HA H . . . . . . . 3.60 . . . . . A . 8 GLN HA . . A . 9 GLY H . . . 8 GLN HA . . . . . 9 GLY HN . . rr_1ee7 1
63 1 . . 1 1 9 9 GLY HA3 H . . . 1 1 8 8 GLN HA H . . . . . . . 6.20 . . . . . A . 8 GLN HA . . A . 9 GLY HA3 . . . 8 GLN HA . . . . . 9 GLY HA2 . . rr_1ee7 1
64 1 . . 1 1 10 10 ABA H H . . . 1 1 8 8 GLN HA H . . . . . . . 5.00 . . . . . A . 8 GLN HA . . A . 10 AIB H . . . 8 GLN HA . . . . . 10 AIB HN . . rr_1ee7 1
65 1 . . 1 1 11 11 ABA H H . . . 1 1 8 8 GLN HA H . . . . . . . 4.20 . . . . . A . 8 GLN HA . . A . 11 AIB H . . . 8 GLN HA . . . . . 11 AIB HN . . rr_1ee7 1
66 1 . . 1 1 8 8 GLN HB3 H . . . 1 1 9 9 GLY H H . . . . . . . 3.40 . . . . . A . 8 GLN HB3 . . A . 9 GLY H . . . 8 GLN HB2 . . . . . 9 GLY HN . . rr_1ee7 1
67 1 . . 1 1 8 8 GLN HG3 H . . . 1 1 9 9 GLY H H . . . . . . . 6.40 . . . . . A . 8 GLN HG3 . . A . 9 GLY H . . . 8 GLN HG2 . . . . . 9 GLY HN . . rr_1ee7 1
68 1 OR . 1 1 9 9 GLY H H . . . 1 1 8 8 GLN HG2 H . . . . . . . 5.68 . . . . . A . 8 GLN HG2 . . A . 9 GLY H . . . 8 GLN QG . . . . . 9 GLY HN . . rr_1ee7 1
68 2 OR . 1 1 8 8 GLN HG3 H . . . 1 1 9 9 GLY H H . . . . . . . 5.68 . . . . . A . 8 GLN HG3 . . A . 9 GLY H . . . 8 GLN QG . . . . . 9 GLY HN . . rr_1ee7 1
69 1 . . 1 1 9 9 GLY H H . . . 1 1 9 9 GLY HA2 H . . . . . . . 2.90 . . . . . A . 9 GLY H . . A . 9 GLY HA2 . . . 9 GLY HN . . . . . 9 GLY HA1 . . rr_1ee7 1
70 1 . . 1 1 9 9 GLY H H . . . 1 1 9 9 GLY HA3 H . . . . . . . 2.50 . . . . . A . 9 GLY H . . A . 9 GLY HA3 . . . 9 GLY HN . . . . . 9 GLY HA2 . . rr_1ee7 1
71 1 . . 1 1 9 9 GLY H H . . . 1 1 10 10 ABA H H . . . . . . . 2.80 . . . . . A . 9 GLY H . . A . 10 AIB H . . . 9 GLY HN . . . . . 10 AIB HN . . rr_1ee7 1
72 1 . . 1 1 10 10 ABA H H . . . 1 1 9 9 GLY HA2 H . . . . . . . 3.50 . . . . . A . 9 GLY HA2 . . A . 10 AIB H . . . 9 GLY HA1 . . . . . 10 AIB HN . . rr_1ee7 1
73 1 . . 1 1 9 9 GLY HA2 H . . . 1 1 12 12 ALA H H . . . . . . . 3.70 . . . . . A . 9 GLY HA2 . . A . 12 ALA H . . . 9 GLY HA1 . . . . . 12 ALA HN . . rr_1ee7 1
74 1 . . 1 1 10 10 ABA H H . . . 1 1 9 9 GLY HA3 H . . . . . . . 3.00 . . . . . A . 9 GLY HA3 . . A . 10 AIB H . . . 9 GLY HA2 . . . . . 10 AIB HN . . rr_1ee7 1
75 1 . . 1 1 9 9 GLY HA3 H . . . 1 1 11 11 ABA H H . . . . . . . 4.90 . . . . . A . 9 GLY HA3 . . A . 11 AIB H . . . 9 GLY HA2 . . . . . 11 AIB HN . . rr_1ee7 1
76 1 . . 1 1 9 9 GLY HA3 H . . . 1 1 12 12 ALA H H . . . . . . . 5.50 . . . . . A . 9 GLY HA3 . . A . 12 ALA H . . . 9 GLY HA2 . . . . . 12 ALA HN . . rr_1ee7 1
77 1 . . 1 1 9 9 GLY HA3 H . . . 1 1 12 12 ALA MB H . . . . . . . 6.00 . . . . . A . 9 GLY HA3 . . A . 12 ALA MB . . . 9 GLY HA2 . . . . . 12 ALA QB . . rr_1ee7 1
78 1 . . 1 1 9 9 GLY HA3 H . . . 1 1 13 13 ALA H H . . . . . . . 5.00 . . . . . A . 9 GLY HA3 . . A . 13 ALA H . . . 9 GLY HA2 . . . . . 13 ALA HN . . rr_1ee7 1
79 1 . . 1 1 10 10 ABA H H . . . 1 1 11 11 ABA H H . . . . . . . 3.00 . . . . . A . 10 AIB H . . A . 11 AIB H . . . 10 AIB HN . . . . . 11 AIB HN . . rr_1ee7 1
80 1 . . 1 1 10 10 ABA H H . . . 1 1 12 12 ALA H H . . . . . . . 4.80 . . . . . A . 10 AIB H . . A . 12 ALA H . . . 10 AIB HN . . . . . 12 ALA HN . . rr_1ee7 1
81 1 . . 1 1 11 11 ABA H H . . . 1 1 12 12 ALA H H . . . . . . . 3.20 . . . . . A . 11 AIB H . . A . 12 ALA H . . . 11 AIB HN . . . . . 12 ALA HN . . rr_1ee7 1
82 1 . . 1 1 12 12 ALA H H . . . 1 1 12 12 ALA HA H . . . . . . . 2.90 . . . . . A . 12 ALA H . . A . 12 ALA HA . . . 12 ALA HN . . . . . 12 ALA HA . . rr_1ee7 1
83 1 . . 1 1 12 12 ALA H H . . . 1 1 12 12 ALA MB H . . . . . . . 3.00 . . . . . A . 12 ALA H . . A . 12 ALA MB . . . 12 ALA HN . . . . . 12 ALA QB . . rr_1ee7 1
84 1 . . 1 1 12 12 ALA H H . . . 1 1 13 13 ALA H H . . . . . . . 2.80 . . . . . A . 12 ALA H . . A . 13 ALA H . . . 12 ALA HN . . . . . 13 ALA HN . . rr_1ee7 1
85 1 . . 1 1 12 12 ALA H H . . . 1 1 13 13 ALA HA H . . . . . . . 5.90 . . . . . A . 12 ALA H . . A . 13 ALA HA . . . 12 ALA HN . . . . . 13 ALA HA . . rr_1ee7 1
86 1 . . 1 1 12 12 ALA H H . . . 1 1 14 14 ABA H H . . . . . . . 5.00 . . . . . A . 12 ALA H . . A . 14 AIB H . . . 12 ALA HN . . . . . 14 AIB HN . . rr_1ee7 1
87 1 . . 1 1 12 12 ALA H H . . . 1 1 15 15 PRO HD3 H . . . . . . . 6.40 . . . . . A . 12 ALA H . . A . 15 PRO HD3 . . . 12 ALA HN . . . . . 15 PRO HD2 . . rr_1ee7 1
88 1 . . 1 1 13 13 ALA H H . . . 1 1 12 12 ALA HA H . . . . . . . 3.50 . . . . . A . 12 ALA HA . . A . 13 ALA H . . . 12 ALA HA . . . . . 13 ALA HN . . rr_1ee7 1
89 1 . . 1 1 12 12 ALA HA H . . . 1 1 13 13 ALA HA H . . . . . . . 5.90 . . . . . A . 12 ALA HA . . A . 13 ALA HA . . . 12 ALA HA . . . . . 13 ALA HA . . rr_1ee7 1
90 1 . . 1 1 14 14 ABA H H . . . 1 1 12 12 ALA HA H . . . . . . . 4.40 . . . . . A . 12 ALA HA . . A . 14 AIB H . . . 12 ALA HA . . . . . 14 AIB HN . . rr_1ee7 1
91 1 . . 1 1 12 12 ALA HA H . . . 1 1 15 15 PRO HD3 H . . . . . . . 6.40 . . . . . A . 12 ALA HA . . A . 15 PRO HD3 . . . 12 ALA HA . . . . . 15 PRO HD2 . . rr_1ee7 1
92 1 . . 1 1 13 13 ALA H H . . . 1 1 13 13 ALA MB H . . . . . . . 3.00 . . . . . A . 13 ALA H . . A . 13 ALA MB . . . 13 ALA HN . . . . . 13 ALA QB . . rr_1ee7 1
93 1 . . 1 1 13 13 ALA H H . . . 1 1 14 14 ABA H H . . . . . . . 2.80 . . . . . A . 13 ALA H . . A . 14 AIB H . . . 13 ALA HN . . . . . 14 AIB HN . . rr_1ee7 1
94 1 . . 1 1 13 13 ALA H H . . . 1 1 15 15 PRO HD3 H . . . . . . . 5.00 . . . . . A . 13 ALA H . . A . 15 PRO HD3 . . . 13 ALA HN . . . . . 15 PRO HD2 . . rr_1ee7 1
95 1 . . 1 1 13 13 ALA HA H . . . 1 1 15 15 PRO HG3 H . . . . . . . 6.40 . . . . . A . 13 ALA HA . . A . 15 PRO HG3 . . . 13 ALA HA . . . . . 15 PRO HG2 . . rr_1ee7 1
96 1 . . 1 1 13 13 ALA HA H . . . 1 1 15 15 PRO HD3 H . . . . . . . 6.40 . . . . . A . 13 ALA HA . . A . 15 PRO HD3 . . . 13 ALA HA . . . . . 15 PRO HD2 . . rr_1ee7 1
97 1 . . 1 1 13 13 ALA HA H . . . 1 1 16 16 ABA H H . . . . . . . 5.00 . . . . . A . 13 ALA HA . . A . 16 AIB H . . . 13 ALA HA . . . . . 16 AIB HN . . rr_1ee7 1
98 1 . . 1 1 13 13 ALA HA H . . . 1 1 17 17 ABA H H . . . . . . . 6.40 . . . . . A . 13 ALA HA . . A . 17 AIB H . . . 13 ALA HA . . . . . 17 AIB HN . . rr_1ee7 1
99 1 . . 1 1 15 15 PRO HD3 H . . . 1 1 13 13 ALA MB H . . . . . . . 7.40 . . . . . A . 13 ALA MB . . A . 15 PRO HD3 . . . 13 ALA QB . . . . . 15 PRO HD2 . . rr_1ee7 1
100 1 . . 1 1 14 14 ABA H H . . . 1 1 15 15 PRO HG3 H . . . . . . . 6.40 . . . . . A . 14 AIB H . . A . 15 PRO HG3 . . . 14 AIB HN . . . . . 15 PRO HG2 . . rr_1ee7 1
101 1 . . 1 1 14 14 ABA H H . . . 1 1 15 15 PRO HD3 H . . . . . . . 4.40 . . . . . A . 14 AIB H . . A . 15 PRO HD3 . . . 14 AIB HN . . . . . 15 PRO HD2 . . rr_1ee7 1
102 1 . . 1 1 14 14 ABA H H . . . 1 1 16 16 ABA H H . . . . . . . 5.00 . . . . . A . 14 AIB H . . A . 16 AIB H . . . 14 AIB HN . . . . . 16 AIB HN . . rr_1ee7 1
103 1 . . 1 1 14 14 ABA H H . . . 1 1 17 17 ABA H H . . . . . . . 5.10 . . . . . A . 14 AIB H . . A . 17 AIB H . . . 14 AIB HN . . . . . 17 AIB HN . . rr_1ee7 1
104 1 . . 1 1 17 17 ABA H H . . . 1 1 15 15 PRO HA H . . . . . . . 4.10 . . . . . A . 15 PRO HA . . A . 17 AIB H . . . 15 PRO HA . . . . . 17 AIB HN . . rr_1ee7 1
105 1 . . 1 1 15 15 PRO HA H . . . 1 1 18 18 ABA H H . . . . . . . 6.20 . . . . . A . 15 PRO HA . . A . 18 AIB H . . . 15 PRO HA . . . . . 18 AIB HN . . rr_1ee7 1
106 1 . . 1 1 16 16 ABA H H . . . 1 1 15 15 PRO HB3 H . . . . . . . 3.40 . . . . . A . 15 PRO HB3 . . A . 16 AIB H . . . 15 PRO HB2 . . . . . 16 AIB HN . . rr_1ee7 1
107 1 . . 1 1 17 17 ABA H H . . . 1 1 15 15 PRO HB3 H . . . . . . . 5.70 . . . . . A . 15 PRO HB3 . . A . 17 AIB H . . . 15 PRO HB2 . . . . . 17 AIB HN . . rr_1ee7 1
108 1 . . 1 1 18 18 ABA H H . . . 1 1 15 15 PRO HB3 H . . . . . . . 6.40 . . . . . A . 15 PRO HB3 . . A . 18 AIB H . . . 15 PRO HB2 . . . . . 18 AIB HN . . rr_1ee7 1
109 1 . . 1 1 15 15 PRO HG3 H . . . 1 1 16 16 ABA H H . . . . . . . 5.00 . . . . . A . 15 PRO HG3 . . A . 16 AIB H . . . 15 PRO HG2 . . . . . 16 AIB HN . . rr_1ee7 1
110 1 . . 1 1 15 15 PRO HG3 H . . . 1 1 17 17 ABA H H . . . . . . . 6.40 . . . . . A . 15 PRO HG3 . . A . 17 AIB H . . . 15 PRO HG2 . . . . . 17 AIB HN . . rr_1ee7 1
111 1 . . 1 1 15 15 PRO HD3 H . . . 1 1 16 16 ABA H H . . . . . . . 4.40 . . . . . A . 15 PRO HD3 . . A . 16 AIB H . . . 15 PRO HD2 . . . . . 16 AIB HN . . rr_1ee7 1
112 1 . . 1 1 15 15 PRO HD3 H . . . 1 1 17 17 ABA H H . . . . . . . 5.00 . . . . . A . 15 PRO HD3 . . A . 17 AIB H . . . 15 PRO HD2 . . . . . 17 AIB HN . . rr_1ee7 1
113 1 . . 1 1 17 17 ABA H H . . . 1 1 18 18 ABA H H . . . . . . . 3.00 . . . . . A . 17 AIB H . . A . 18 AIB H . . . 17 AIB HN . . . . . 18 AIB HN . . rr_1ee7 1
114 1 OR . 1 1 17 17 ABA H H . . . 1 1 19 19 GLN HG2 H . . . . . . . 6.00 . . . . . A . 17 AIB H . . A . 19 GLN HG2 . . . 17 AIB HN . . . . . 19 GLN QG . . rr_1ee7 1
114 2 OR . 1 1 17 17 ABA H H . . . 1 1 19 19 GLN HG3 H . . . . . . . 6.00 . . . . . A . 17 AIB H . . A . 19 GLN HG3 . . . 17 AIB HN . . . . . 19 GLN QG . . rr_1ee7 1
115 1 . . 1 1 18 18 ABA H H . . . 1 1 19 19 GLN H H . . . . . . . 3.20 . . . . . A . 18 AIB H . . A . 19 GLN H . . . 18 AIB HN . . . . . 19 GLN HN . . rr_1ee7 1
116 1 . . 1 1 18 18 ABA H H . . . 1 1 19 19 GLN HA H . . . . . . . 6.30 . . . . . A . 18 AIB H . . A . 19 GLN HA . . . 18 AIB HN . . . . . 19 GLN HA . . rr_1ee7 1
117 1 . . 1 1 18 18 ABA H H . . . 1 1 19 19 GLN HB3 H . . . . . . . 6.40 . . . . . A . 18 AIB H . . A . 19 GLN HB3 . . . 18 AIB HN . . . . . 19 GLN HB2 . . rr_1ee7 1
118 1 OR . 1 1 18 18 ABA H H . . . 1 1 19 19 GLN HB3 H . . . . . . . 6.14 . . . . . A . 18 AIB H . . A . 19 GLN HB3 . . . 18 AIB HN . . . . . 19 GLN QB . . rr_1ee7 1
118 2 OR . 1 1 18 18 ABA H H . . . 1 1 19 19 GLN HB2 H . . . . . . . 6.14 . . . . . A . 18 AIB H . . A . 19 GLN HB2 . . . 18 AIB HN . . . . . 19 GLN QB . . rr_1ee7 1
119 1 OR . 1 1 18 18 ABA H H . . . 1 1 19 19 GLN HG2 H . . . . . . . 7.40 . . . . . A . 18 AIB H . . A . 19 GLN HG2 . . . 18 AIB HN . . . . . 19 GLN QG . . rr_1ee7 1
119 2 OR . 1 1 18 18 ABA H H . . . 1 1 19 19 GLN HG3 H . . . . . . . 7.40 . . . . . A . 18 AIB H . . A . 19 GLN HG3 . . . 18 AIB HN . . . . . 19 GLN QG . . rr_1ee7 1
120 1 . . 1 1 19 19 GLN H H . . . 1 1 19 19 GLN HB3 H . . . . . . . 3.70 . . . . . A . 19 GLN H . . A . 19 GLN HB3 . . . 19 GLN HN . . . . . 19 GLN HB2 . . rr_1ee7 1
121 1 OR . 1 1 19 19 GLN H H . . . 1 1 19 19 GLN HB3 H . . . . . . . 3.21 . . . . . A . 19 GLN H . . A . 19 GLN HB3 . . . 19 GLN HN . . . . . 19 GLN QB . . rr_1ee7 1
121 2 OR . 1 1 19 19 GLN HB2 H . . . 1 1 19 19 GLN H H . . . . . . . 3.21 . . . . . A . 19 GLN H . . A . 19 GLN HB2 . . . 19 GLN HN . . . . . 19 GLN QB . . rr_1ee7 1
122 1 OR . 1 1 19 19 GLN H H . . . 1 1 19 19 GLN HG2 H . . . . . . . 5.90 . . . . . A . 19 GLN H . . A . 19 GLN HG2 . . . 19 GLN HN . . . . . 19 GLN QG . . rr_1ee7 1
122 2 OR . 1 1 19 19 GLN HG3 H . . . 1 1 19 19 GLN H H . . . . . . . 5.90 . . . . . A . 19 GLN H . . A . 19 GLN HG3 . . . 19 GLN HN . . . . . 19 GLN QG . . rr_1ee7 1
123 1 OR . 1 1 19 19 GLN HE21 H . . . 1 1 19 19 GLN H H . . . . . . . 7.27 . . . . . A . 19 GLN H . . A . 19 GLN HE21 . . . 19 GLN HN . . . . . 19 GLN QE2 . . rr_1ee7 1
123 2 OR . 1 1 19 19 GLN HE22 H . . . 1 1 19 19 GLN H H . . . . . . . 7.27 . . . . . A . 19 GLN H . . A . 19 GLN HE22 . . . 19 GLN HN . . . . . 19 GLN QE2 . . rr_1ee7 1
124 1 . . 1 1 20 20 TPL HD1 H . . . 1 1 19 19 GLN HB3 H . . . . . . . 6.40 . . . . . A . 19 GLN HB3 . . A . 20 TPL HD1 . . . 19 GLN HB2 . . . . . 20 TRO HD1 . . rr_1ee7 1
125 1 OR . 1 1 20 20 TPL HD1 H . . . 1 1 19 19 GLN HG2 H . . . . . . . 7.40 . . . . . A . 19 GLN HG2 . . A . 20 TPL HD1 . . . 19 GLN QG . . . . . 20 TRO HD1 . . rr_1ee7 1
125 2 OR . 1 1 19 19 GLN HG3 H . . . 1 1 20 20 TPL HD1 H . . . . . . . 7.40 . . . . . A . 19 GLN HG3 . . A . 20 TPL HD1 . . . 19 GLN QG . . . . . 20 TRO HD1 . . rr_1ee7 1
126 1 . . 1 1 20 20 TPL HD1 H . . . 1 1 20 20 TPL HA H . . . . . . . 5.00 . . . . . A . 20 TPL HA . . A . 20 TPL HD1 . . . 20 TRO HA . . . . . 20 TRO HD1 . . rr_1ee7 1
127 1 . . 1 1 20 20 TPL HA H . . . 1 1 20 20 TPL HE3 H . . . . . . . 5.00 . . . . . A . 20 TPL HA . . A . 20 TPL HE3 . . . 20 TRO HA . . . . . 20 TRO HE3 . . rr_1ee7 1
stop_
loop_
_Gen_dist_constraint_comment_org.ID
_Gen_dist_constraint_comment_org.Comment_text
_Gen_dist_constraint_comment_org.Comment_begin_line
_Gen_dist_constraint_comment_org.Comment_begin_column
_Gen_dist_constraint_comment_org.Comment_end_line
_Gen_dist_constraint_comment_org.Comment_end_column
_Gen_dist_constraint_comment_org.Entry_ID
_Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID
1 "CHRYSOSPERMIN C" 1 1 1 17 rr_1ee7 1
2 "UPPER LIMITS DISTANCE CONSTRAINTS:" 2 1 2 36 rr_1ee7 1
stop_
loop_
_Gen_dist_constraint_conv_err.ID
_Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID
_Gen_dist_constraint_conv_err.Parse_file_constraint_ID
_Gen_dist_constraint_conv_err.Conv_error_type
_Gen_dist_constraint_conv_err.Conv_error_note
_Gen_dist_constraint_conv_err.Entry_ID
_Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID
1 2 1 1 "Not handling restraint 1, item 1, resonance(s) ' .1.QH3' (nmrStar names) not linked" rr_1ee7 1
2 2 2 1 "Not handling restraint 2, item 1, resonance(s) ' .1.QH3' (nmrStar names) not linked" rr_1ee7 1
3 2 3 1 "Not handling restraint 3, item 1, resonance(s) ' .1.QH3' (nmrStar names),' .2.HB3' (nmrStar names) not linked" rr_1ee7 1
4 2 4 1 "Not handling restraint 4, item 1, resonance(s) ' .1.QH3' (nmrStar names) not linked" rr_1ee7 1
5 2 5 1 "Not handling restraint 5, item 1, resonance(s) ' .1.QH3' (nmrStar names) not linked" rr_1ee7 1
6 2 6 1 "Not handling restraint 6, item 1, resonance(s) ' .1.QH3' (nmrStar names) not linked" rr_1ee7 1
7 2 7 1 "Not handling restraint 7, item 1, resonance(s) ' .1.QH3' (nmrStar names) not linked" rr_1ee7 1
8 2 8 1 "Not handling restraint 8, item 1, resonance(s) ' .1.QH3' (nmrStar names) not linked" rr_1ee7 1
9 2 10 1 "Not handling restraint 10, item 1, resonance(s) ' .2.HB3' (nmrStar names) not linked" rr_1ee7 1
10 2 12 1 "Not handling restraint 12, item 1, resonance(s) ' .3.QB1' (nmrStar names) not linked" rr_1ee7 1
11 2 13 1 "Not handling restraint 13, item 1, resonance(s) ' .3.QB2' (nmrStar names) not linked" rr_1ee7 1
12 2 16 1 "Not handling restraint 16, item 1, resonance(s) ' .5.QB1' (nmrStar names) not linked" rr_1ee7 1
13 2 19 1 "Not handling restraint 19, item 1, resonance(s) ' .3.QB2' (nmrStar names) not linked" rr_1ee7 1
14 2 22 1 "Not handling restraint 22, item 1, resonance(s) ' .5.QB1' (nmrStar names) not linked" rr_1ee7 1
15 2 23 1 "Not handling restraint 23, item 1, resonance(s) ' .5.QB2' (nmrStar names) not linked" rr_1ee7 1
16 2 24 1 "Not handling restraint 24, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" rr_1ee7 1
17 2 25 1 "Not handling restraint 25, item 1, resonance(s) ' .6.QB2' (nmrStar names) not linked" rr_1ee7 1
18 2 26 1 "Not handling restraint 26, item 1, resonance(s) ' .6.QG1' (nmrStar names) not linked" rr_1ee7 1
19 2 28 1 "Not handling restraint 28, item 1, resonance(s) ' .3.QB1' (nmrStar names) not linked" rr_1ee7 1
20 2 29 1 "Not handling restraint 29, item 1, resonance(s) ' .3.QB2' (nmrStar names) not linked" rr_1ee7 1
21 2 31 1 "Not handling restraint 31, item 1, resonance(s) ' .5.QB1' (nmrStar names) not linked" rr_1ee7 1
22 2 32 1 "Not handling restraint 32, item 1, resonance(s) ' .2.HB3' (nmrStar names) not linked" rr_1ee7 1
23 2 33 1 "Not handling restraint 33, item 1, resonance(s) ' .2.HB3' (nmrStar names),' .3.QB2' (nmrStar names) not linked" rr_1ee7 1
24 2 34 1 "Not handling restraint 34, item 1, resonance(s) ' .2.HB3' (nmrStar names) not linked" rr_1ee7 1
25 2 35 1 "Not handling restraint 35, item 1, resonance(s) ' .2.HB3' (nmrStar names),' .6.QB2' (nmrStar names) not linked" rr_1ee7 1
26 2 36 1 "Not handling restraint 36, item 1, resonance(s) ' .2.HB3' (nmrStar names),' .6.QG1' (nmrStar names) not linked" rr_1ee7 1
27 2 38 1 "Not handling restraint 38, item 1, resonance(s) ' .3.QB1' (nmrStar names) not linked" rr_1ee7 1
28 2 39 1 "Not handling restraint 39, item 1, resonance(s) ' .3.QB2' (nmrStar names) not linked" rr_1ee7 1
29 2 42 1 "Not handling restraint 42, item 1, resonance(s) ' .5.QB1' (nmrStar names) not linked" rr_1ee7 1
30 2 43 1 "Not handling restraint 43, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" rr_1ee7 1
31 2 44 1 "Not handling restraint 44, item 1, resonance(s) ' .6.QB2' (nmrStar names) not linked" rr_1ee7 1
32 2 45 1 "Not handling restraint 45, item 1, resonance(s) ' .6.QG1' (nmrStar names) not linked" rr_1ee7 1
33 2 46 1 "Not handling restraint 46, item 1, resonance(s) ' .3.QB1' (nmrStar names) not linked" rr_1ee7 1
34 2 47 1 "Not handling restraint 47, item 1, resonance(s) ' .3.QB2' (nmrStar names) not linked" rr_1ee7 1
35 2 48 1 "Not handling restraint 48, item 1, resonance(s) ' .5.QB1' (nmrStar names) not linked" rr_1ee7 1
36 2 49 1 "Not handling restraint 49, item 1, resonance(s) ' .6.QB2' (nmrStar names) not linked" rr_1ee7 1
37 2 50 1 "Not handling restraint 50, item 1, resonance(s) ' .6.QG1' (nmrStar names) not linked" rr_1ee7 1
38 2 51 1 "Not handling restraint 51, item 1, resonance(s) ' .3.QB2' (nmrStar names) not linked" rr_1ee7 1
39 2 52 1 "Not handling restraint 52, item 1, resonance(s) ' .6.QB2' (nmrStar names) not linked" rr_1ee7 1
40 2 53 1 "Not handling restraint 53, item 1, resonance(s) ' .6.QG1' (nmrStar names) not linked" rr_1ee7 1
41 2 54 1 "Not handling restraint 54, item 1, resonance(s) ' .3.QB1' (nmrStar names) not linked" rr_1ee7 1
42 2 59 1 "Not handling restraint 59, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" rr_1ee7 1
43 2 60 1 "Not handling restraint 60, item 1, resonance(s) ' .6.QB2' (nmrStar names) not linked" rr_1ee7 1
44 2 61 1 "Not handling restraint 61, item 1, resonance(s) ' .3.QB1' (nmrStar names) not linked" rr_1ee7 1
45 2 62 1 "Not handling restraint 62, item 1, resonance(s) ' .3.QB1' (nmrStar names) not linked" rr_1ee7 1
46 2 63 1 "Not handling restraint 63, item 1, resonance(s) ' .3.QB1' (nmrStar names) not linked" rr_1ee7 1
47 2 63 1 "Not handling restraint 63, item 1, resonance(s) ' .3.QB1' (nmrStar names) not linked" rr_1ee7 1
48 2 64 1 "Not handling restraint 64, item 1, resonance(s) ' .3.QB1' (nmrStar names) not linked" rr_1ee7 1
49 2 65 1 "Not handling restraint 65, item 1, resonance(s) ' .3.QB1' (nmrStar names) not linked" rr_1ee7 1
50 2 66 1 "Not handling restraint 66, item 1, resonance(s) ' .3.QB1' (nmrStar names) not linked" rr_1ee7 1
51 2 67 1 "Not handling restraint 67, item 1, resonance(s) ' .3.QB2' (nmrStar names) not linked" rr_1ee7 1
52 2 68 1 "Not handling restraint 68, item 1, resonance(s) ' .3.QB2' (nmrStar names) not linked" rr_1ee7 1
53 2 68 1 "Not handling restraint 68, item 1, resonance(s) ' .3.QB2' (nmrStar names) not linked" rr_1ee7 1
54 2 69 1 "Not handling restraint 69, item 1, resonance(s) ' .3.QB2' (nmrStar names) not linked" rr_1ee7 1
55 2 70 1 "Not handling restraint 70, item 1, resonance(s) ' .3.QB2' (nmrStar names),' .6.HN' (nmrStar names) not linked" rr_1ee7 1
56 2 71 1 "Not handling restraint 71, item 1, resonance(s) ' .3.QB2' (nmrStar names),' .6.QB2' (nmrStar names) not linked" rr_1ee7 1
57 2 72 1 "Not handling restraint 72, item 1, resonance(s) ' .3.QB2' (nmrStar names),' .6.QG1' (nmrStar names) not linked" rr_1ee7 1
58 2 73 1 "Not handling restraint 73, item 1, resonance(s) ' .3.QB2' (nmrStar names) not linked" rr_1ee7 1
59 2 74 1 "Not handling restraint 74, item 1, resonance(s) ' .3.QB2' (nmrStar names) not linked" rr_1ee7 1
60 2 75 1 "Not handling restraint 75, item 1, resonance(s) ' .3.QB2' (nmrStar names) not linked" rr_1ee7 1
61 2 76 1 "Not handling restraint 76, item 1, resonance(s) ' .3.QB2' (nmrStar names) not linked" rr_1ee7 1
62 2 77 1 "Not handling restraint 77, item 1, resonance(s) ' .3.QB2' (nmrStar names) not linked" rr_1ee7 1
63 2 81 1 "Not handling restraint 81, item 1, resonance(s) ' .5.QB2' (nmrStar names) not linked" rr_1ee7 1
64 2 82 1 "Not handling restraint 82, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" rr_1ee7 1
65 2 83 1 "Not handling restraint 83, item 1, resonance(s) ' .6.QB2' (nmrStar names) not linked" rr_1ee7 1
66 2 87 1 "Not handling restraint 87, item 1, resonance(s) ' .5.QB1' (nmrStar names) not linked" rr_1ee7 1
67 2 88 1 "Not handling restraint 88, item 1, resonance(s) ' .5.QB2' (nmrStar names) not linked" rr_1ee7 1
68 2 89 1 "Not handling restraint 89, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" rr_1ee7 1
69 2 90 1 "Not handling restraint 90, item 1, resonance(s) ' .6.QB2' (nmrStar names) not linked" rr_1ee7 1
70 2 93 1 "Not handling restraint 93, item 1, resonance(s) ' .7.HB3' (nmrStar names) not linked" rr_1ee7 1
71 2 97 1 "Not handling restraint 97, item 1, resonance(s) ' .5.QB1' (nmrStar names) not linked" rr_1ee7 1
72 2 97 1 "Not handling restraint 97, item 1, resonance(s) ' .5.QB1' (nmrStar names) not linked" rr_1ee7 1
73 2 98 1 "Not handling restraint 98, item 1, resonance(s) ' .5.QB2' (nmrStar names) not linked" rr_1ee7 1
74 2 98 1 "Not handling restraint 98, item 1, resonance(s) ' .5.QB2' (nmrStar names) not linked" rr_1ee7 1
75 2 99 1 "Not handling restraint 99, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" rr_1ee7 1
76 2 99 1 "Not handling restraint 99, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" rr_1ee7 1
77 2 100 1 "Not handling restraint 100, item 1, resonance(s) ' .6.QB2' (nmrStar names) not linked" rr_1ee7 1
78 2 100 1 "Not handling restraint 100, item 1, resonance(s) ' .6.QB2' (nmrStar names) not linked" rr_1ee7 1
79 2 105 1 "Not handling restraint 105, item 1, resonance(s) ' .5.QB1' (nmrStar names) not linked" rr_1ee7 1
80 2 106 1 "Not handling restraint 106, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" rr_1ee7 1
81 2 107 1 "Not handling restraint 107, item 1, resonance(s) ' .6.QB2' (nmrStar names) not linked" rr_1ee7 1
82 2 108 1 "Not handling restraint 108, item 1, resonance(s) ' .6.QG1' (nmrStar names) not linked" rr_1ee7 1
83 2 109 1 "Not handling restraint 109, item 1, resonance(s) ' .5.QB1' (nmrStar names),' .6.HN' (nmrStar names) not linked" rr_1ee7 1
84 2 110 1 "Not handling restraint 110, item 1, resonance(s) ' .5.QB1' (nmrStar names),' .6.QG1' (nmrStar names) not linked" rr_1ee7 1
85 2 111 1 "Not handling restraint 111, item 1, resonance(s) ' .5.QB2' (nmrStar names),' .6.HB12' (nmrStar names) not linked" rr_1ee7 1
86 2 112 1 "Not handling restraint 112, item 1, resonance(s) ' .5.QB2' (nmrStar names),' .6.QG1' (nmrStar names) not linked" rr_1ee7 1
87 2 113 1 "Not handling restraint 113, item 1, resonance(s) ' .5.QB2' (nmrStar names) not linked" rr_1ee7 1
88 2 114 1 "Not handling restraint 114, item 1, resonance(s) ' .5.QB2' (nmrStar names),' .8.HB3' (nmrStar names) not linked" rr_1ee7 1
89 2 115 1 "Not handling restraint 115, item 1, resonance(s) ' .5.QB2' (nmrStar names) not linked" rr_1ee7 1
90 2 116 1 "Not handling restraint 116, item 1, resonance(s) ' .5.QB2' (nmrStar names),' .8.HG3' (nmrStar names) not linked" rr_1ee7 1
91 2 117 1 "Not handling restraint 117, item 1, resonance(s) ' .5.QB2' (nmrStar names) not linked" rr_1ee7 1
92 2 117 1 "Not handling restraint 117, item 1, resonance(s) ' .5.QB2' (nmrStar names) not linked" rr_1ee7 1
93 2 118 1 "Not handling restraint 118, item 1, resonance(s) ' .5.QB2' (nmrStar names) not linked" rr_1ee7 1
94 2 119 1 "Not handling restraint 119, item 1, resonance(s) ' .5.QB2' (nmrStar names) not linked" rr_1ee7 1
95 2 120 1 "Not handling restraint 120, item 1, resonance(s) ' .5.QB2' (nmrStar names) not linked" rr_1ee7 1
96 2 121 1 "Not handling restraint 121, item 1, resonance(s) ' .6.HN' (nmrStar names),' .6.QB2' (nmrStar names) not linked" rr_1ee7 1
97 2 122 1 "Not handling restraint 122, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" rr_1ee7 1
98 2 123 1 "Not handling restraint 123, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" rr_1ee7 1
99 2 124 1 "Not handling restraint 124, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" rr_1ee7 1
100 2 125 1 "Not handling restraint 125, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" rr_1ee7 1
101 2 126 1 "Not handling restraint 126, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" rr_1ee7 1
102 2 127 1 "Not handling restraint 127, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" rr_1ee7 1
103 2 128 1 "Not handling restraint 128, item 1, resonance(s) ' .6.QB2' (nmrStar names),' .6.HB13' (nmrStar names) not linked" rr_1ee7 1
104 2 129 1 "Not handling restraint 129, item 1, resonance(s) ' .6.QB2' (nmrStar names),' .6.QG1' (nmrStar names) not linked" rr_1ee7 1
105 2 130 1 "Not handling restraint 130, item 1, resonance(s) ' .6.QB2' (nmrStar names) not linked" rr_1ee7 1
106 2 131 1 "Not handling restraint 131, item 1, resonance(s) ' .6.QB2' (nmrStar names) not linked" rr_1ee7 1
107 2 132 1 "Not handling restraint 132, item 1, resonance(s) ' .6.QB2' (nmrStar names) not linked" rr_1ee7 1
108 2 133 1 "Not handling restraint 133, item 1, resonance(s) ' .6.QB2' (nmrStar names),' .7.HB3' (nmrStar names) not linked" rr_1ee7 1
109 2 134 1 "Not handling restraint 134, item 1, resonance(s) ' .6.QB2' (nmrStar names) not linked" rr_1ee7 1
110 2 135 1 "Not handling restraint 135, item 1, resonance(s) ' .6.QB2' (nmrStar names) not linked" rr_1ee7 1
111 2 136 1 "Not handling restraint 136, item 1, resonance(s) ' .6.QB2' (nmrStar names) not linked" rr_1ee7 1
112 2 137 1 "Not handling restraint 137, item 1, resonance(s) ' .6.QB2' (nmrStar names) not linked" rr_1ee7 1
113 2 138 1 "Not handling restraint 138, item 1, resonance(s) ' .6.HB12' (nmrStar names) not linked" rr_1ee7 1
114 2 139 1 "Not handling restraint 139, item 1, resonance(s) ' .6.HB12' (nmrStar names) not linked" rr_1ee7 1
115 2 140 1 "Not handling restraint 140, item 1, resonance(s) ' .6.HB12' (nmrStar names) not linked" rr_1ee7 1
116 2 141 1 "Not handling restraint 141, item 1, resonance(s) ' .6.HB12' (nmrStar names) not linked" rr_1ee7 1
117 2 142 1 "Not handling restraint 142, item 1, resonance(s) ' .6.HB12' (nmrStar names) not linked" rr_1ee7 1
118 2 143 1 "Not handling restraint 143, item 1, resonance(s) ' .6.HB13' (nmrStar names) not linked" rr_1ee7 1
119 2 144 1 "Not handling restraint 144, item 1, resonance(s) ' .6.HB13' (nmrStar names) not linked" rr_1ee7 1
120 2 145 1 "Not handling restraint 145, item 1, resonance(s) ' .6.HB13' (nmrStar names) not linked" rr_1ee7 1
121 2 146 1 "Not handling restraint 146, item 1, resonance(s) ' .6.QG1' (nmrStar names) not linked" rr_1ee7 1
122 2 147 1 "Not handling restraint 147, item 1, resonance(s) ' .6.QG1' (nmrStar names) not linked" rr_1ee7 1
123 2 148 1 "Not handling restraint 148, item 1, resonance(s) ' .6.QG1' (nmrStar names) not linked" rr_1ee7 1
124 2 149 1 "Not handling restraint 149, item 1, resonance(s) ' .6.QG1' (nmrStar names) not linked" rr_1ee7 1
125 2 150 1 "Not handling restraint 150, item 1, resonance(s) ' .6.QG1' (nmrStar names) not linked" rr_1ee7 1
126 2 151 1 "Not handling restraint 151, item 1, resonance(s) ' .6.QG1' (nmrStar names),' .10.QB1' (nmrStar names) not linked" rr_1ee7 1
127 2 152 1 "Not handling restraint 152, item 1, resonance(s) ' .6.QG1' (nmrStar names),' .10.QB2' (nmrStar names) not linked" rr_1ee7 1
128 2 155 1 "Not handling restraint 155, item 1, resonance(s) ' .7.HB3' (nmrStar names) not linked" rr_1ee7 1
129 2 160 1 "Not handling restraint 160, item 1, resonance(s) ' .8.HB3' (nmrStar names) not linked" rr_1ee7 1
130 2 162 1 "Not handling restraint 162, item 1, resonance(s) ' .8.HG3' (nmrStar names) not linked" rr_1ee7 1
131 2 164 1 "Not handling restraint 164, item 1, resonance(s) ' .7.HB3' (nmrStar names) not linked" rr_1ee7 1
132 2 170 1 "Not handling restraint 170, item 1, resonance(s) ' .10.QB1' (nmrStar names) not linked" rr_1ee7 1
133 2 171 1 "Not handling restraint 171, item 1, resonance(s) ' .10.QB2' (nmrStar names) not linked" rr_1ee7 1
134 2 177 1 "Not handling restraint 177, item 1, resonance(s) ' .7.HB3' (nmrStar names) not linked" rr_1ee7 1
135 2 178 1 "Not handling restraint 178, item 1, resonance(s) ' .7.HB3' (nmrStar names) not linked" rr_1ee7 1
136 2 179 1 "Not handling restraint 179, item 1, resonance(s) ' .7.HB3' (nmrStar names) not linked" rr_1ee7 1
137 2 180 1 "Not handling restraint 180, item 1, resonance(s) ' .7.HB3' (nmrStar names) not linked" rr_1ee7 1
138 2 183 1 "Not handling restraint 183, item 1, resonance(s) ' .10.QB1' (nmrStar names) not linked" rr_1ee7 1
139 2 186 1 "Not handling restraint 186, item 1, resonance(s) ' .10.QB1' (nmrStar names) not linked" rr_1ee7 1
140 2 187 1 "Not handling restraint 187, item 1, resonance(s) ' .10.QB2' (nmrStar names) not linked" rr_1ee7 1
141 2 189 1 "Not handling restraint 189, item 1, resonance(s) ' .11.QB1' (nmrStar names) not linked" rr_1ee7 1
142 2 191 1 "Not handling restraint 191, item 1, resonance(s) ' .10.QB1' (nmrStar names) not linked" rr_1ee7 1
143 2 194 1 "Not handling restraint 194, item 1, resonance(s) ' .8.HG3' (nmrStar names) not linked" rr_1ee7 1
144 2 198 1 "Not handling restraint 198, item 1, resonance(s) ' .8.HB3' (nmrStar names) not linked" rr_1ee7 1
145 2 204 1 "Not handling restraint 204, item 1, resonance(s) ' .8.HB3' (nmrStar names) not linked" rr_1ee7 1
146 2 206 1 "Not handling restraint 206, item 1, resonance(s) ' .8.HG3' (nmrStar names) not linked" rr_1ee7 1
147 2 211 1 "Not handling restraint 211, item 1, resonance(s) ' .10.QB1' (nmrStar names) not linked" rr_1ee7 1
148 2 215 1 "Not handling restraint 215, item 1, resonance(s) ' .10.QB2' (nmrStar names) not linked" rr_1ee7 1
149 2 220 1 "Not handling restraint 220, item 1, resonance(s) ' .10.QB1' (nmrStar names) not linked" rr_1ee7 1
150 2 223 1 "Not handling restraint 223, item 1, resonance(s) ' .10.QB1' (nmrStar names) not linked" rr_1ee7 1
151 2 224 1 "Not handling restraint 224, item 1, resonance(s) ' .10.QB2' (nmrStar names) not linked" rr_1ee7 1
152 2 225 1 "Not handling restraint 225, item 1, resonance(s) ' .10.O1' (nmrStar names) not linked" rr_1ee7 1
153 2 226 1 "Not handling restraint 226, item 1, resonance(s) ' .11.QB1' (nmrStar names) not linked" rr_1ee7 1
154 2 228 1 "Not handling restraint 228, item 1, resonance(s) ' .11.QB2' (nmrStar names) not linked" rr_1ee7 1
155 2 238 1 "Not handling restraint 238, item 1, resonance(s) ' .15.HG3' (nmrStar names) not linked" rr_1ee7 1
156 2 240 1 "Not handling restraint 240, item 1, resonance(s) ' .15.HD3' (nmrStar names) not linked" rr_1ee7 1
157 2 246 1 "Not handling restraint 246, item 1, resonance(s) ' .15.HD3' (nmrStar names) not linked" rr_1ee7 1
158 2 250 1 "Not handling restraint 250, item 1, resonance(s) ' .14.QB1' (nmrStar names) not linked" rr_1ee7 1
159 2 252 1 "Not handling restraint 252, item 1, resonance(s) ' .15.HG3' (nmrStar names) not linked" rr_1ee7 1
160 2 254 1 "Not handling restraint 254, item 1, resonance(s) ' .15.HD3' (nmrStar names) not linked" rr_1ee7 1
161 2 257 1 "Not handling restraint 257, item 1, resonance(s) ' .15.HD3' (nmrStar names),' .14.QB1' (nmrStar names) not linked" rr_1ee7 1
162 2 263 1 "Not handling restraint 263, item 1, resonance(s) ' .15.HB3' (nmrStar names) not linked" rr_1ee7 1
163 2 268 1 "Not handling restraint 268, item 1, resonance(s) ' .15.HD3' (nmrStar names) not linked" rr_1ee7 1
164 2 269 1 "Not handling restraint 269, item 1, resonance(s) ' .15.HD3' (nmrStar names) not linked" rr_1ee7 1
165 2 270 1 "Not handling restraint 270, item 1, resonance(s) ' .16.QB1' (nmrStar names) not linked" rr_1ee7 1
166 2 271 1 "Not handling restraint 271, item 1, resonance(s) ' .16.QB1' (nmrStar names) not linked" rr_1ee7 1
167 2 272 1 "Not handling restraint 272, item 1, resonance(s) ' .16.QB1' (nmrStar names) not linked" rr_1ee7 1
168 2 273 1 "Not handling restraint 273, item 1, resonance(s) ' .16.QB1' (nmrStar names) not linked" rr_1ee7 1
169 2 273 1 "Not handling restraint 273, item 1, resonance(s) ' .16.QB1' (nmrStar names) not linked" rr_1ee7 1
170 2 274 1 "Not handling restraint 274, item 1, resonance(s) ' .16.QB1' (nmrStar names) not linked" rr_1ee7 1
171 2 274 1 "Not handling restraint 274, item 1, resonance(s) ' .16.QB1' (nmrStar names) not linked" rr_1ee7 1
172 2 275 1 "Not handling restraint 275, item 1, resonance(s) ' .16.QB1' (nmrStar names),' .20.HN' (nmrStar names) not linked" rr_1ee7 1
173 2 276 1 "Not handling restraint 276, item 1, resonance(s) ' .16.QB1' (nmrStar names) not linked" rr_1ee7 1
174 2 277 1 "Not handling restraint 277, item 1, resonance(s) ' .16.QB1' (nmrStar names) not linked" rr_1ee7 1
175 2 278 1 "Not handling restraint 278, item 1, resonance(s) ' .16.QB2' (nmrStar names) not linked" rr_1ee7 1
176 2 279 1 "Not handling restraint 279, item 1, resonance(s) ' .16.QB2' (nmrStar names) not linked" rr_1ee7 1
177 2 279 1 "Not handling restraint 279, item 1, resonance(s) ' .16.QB2' (nmrStar names) not linked" rr_1ee7 1
178 2 280 1 "Not handling restraint 280, item 1, resonance(s) ' .16.QB2' (nmrStar names) not linked" rr_1ee7 1
179 2 281 1 "Not handling restraint 281, item 1, resonance(s) ' .16.QB2' (nmrStar names) not linked" rr_1ee7 1
180 2 282 1 "Not handling restraint 282, item 1, resonance(s) ' .16.QB2' (nmrStar names) not linked" rr_1ee7 1
181 2 282 1 "Not handling restraint 282, item 1, resonance(s) ' .16.QB2' (nmrStar names) not linked" rr_1ee7 1
182 2 283 1 "Not handling restraint 283, item 1, resonance(s) ' .20.HN' (nmrStar names),' .16.QB2' (nmrStar names) not linked" rr_1ee7 1
183 2 284 1 "Not handling restraint 284, item 1, resonance(s) ' .16.QB2' (nmrStar names) not linked" rr_1ee7 1
184 2 285 1 "Not handling restraint 285, item 1, resonance(s) ' .16.QB2' (nmrStar names) not linked" rr_1ee7 1
185 2 286 1 "Not handling restraint 286, item 1, resonance(s) ' .17.QB1' (nmrStar names) not linked" rr_1ee7 1
186 2 288 1 "Not handling restraint 288, item 1, resonance(s) ' .18.QB1' (nmrStar names) not linked" rr_1ee7 1
187 2 289 1 "Not handling restraint 289, item 1, resonance(s) ' .18.QB2' (nmrStar names) not linked" rr_1ee7 1
188 2 291 1 "Not handling restraint 291, item 1, resonance(s) ' .17.QB1' (nmrStar names) not linked" rr_1ee7 1
189 2 292 1 "Not handling restraint 292, item 1, resonance(s) ' .17.QB1' (nmrStar names),' .20.HB12' (nmrStar names) not linked" rr_1ee7 1
190 2 293 1 "Not handling restraint 293, item 1, resonance(s) ' .17.QB1' (nmrStar names),' .20.HB13' (nmrStar names) not linked" rr_1ee7 1
191 2 294 1 "Not handling restraint 294, item 1, resonance(s) ' .17.QB1' (nmrStar names) not linked" rr_1ee7 1
192 2 295 1 "Not handling restraint 295, item 1, resonance(s) ' .17.QB2' (nmrStar names) not linked" rr_1ee7 1
193 2 296 1 "Not handling restraint 296, item 1, resonance(s) ' .17.QB2' (nmrStar names) not linked" rr_1ee7 1
194 2 296 1 "Not handling restraint 296, item 1, resonance(s) ' .17.QB2' (nmrStar names) not linked" rr_1ee7 1
195 2 297 1 "Not handling restraint 297, item 1, resonance(s) ' .20.HN' (nmrStar names),' .17.QB2' (nmrStar names) not linked" rr_1ee7 1
196 2 298 1 "Not handling restraint 298, item 1, resonance(s) ' .17.QB2' (nmrStar names) not linked" rr_1ee7 1
197 2 299 1 "Not handling restraint 299, item 1, resonance(s) ' .20.HB12' (nmrStar names),' .17.QB2' (nmrStar names) not linked" rr_1ee7 1
198 2 300 1 "Not handling restraint 300, item 1, resonance(s) ' .20.HB13' (nmrStar names),' .17.QB2' (nmrStar names) not linked" rr_1ee7 1
199 2 301 1 "Not handling restraint 301, item 1, resonance(s) ' .17.QB2' (nmrStar names) not linked" rr_1ee7 1
200 2 302 1 "Not handling restraint 302, item 1, resonance(s) ' .17.QB2' (nmrStar names) not linked" rr_1ee7 1
201 2 303 1 "Not handling restraint 303, item 1, resonance(s) ' .17.QB2' (nmrStar names) not linked" rr_1ee7 1
202 2 304 1 "Not handling restraint 304, item 1, resonance(s) ' .17.QB2' (nmrStar names) not linked" rr_1ee7 1
203 2 305 1 "Not handling restraint 305, item 1, resonance(s) ' .17.QB2' (nmrStar names),' .20.QB2' (nmrStar names) not linked" rr_1ee7 1
204 2 306 1 "Not handling restraint 306, item 1, resonance(s) ' .18.QB1' (nmrStar names) not linked" rr_1ee7 1
205 2 310 1 "Not handling restraint 310, item 1, resonance(s) ' .19.HB3' (nmrStar names) not linked" rr_1ee7 1
206 2 313 1 "Not handling restraint 313, item 1, resonance(s) ' .20.HN' (nmrStar names) not linked" rr_1ee7 1
207 2 314 1 "Not handling restraint 314, item 1, resonance(s) ' .18.QB1' (nmrStar names) not linked" rr_1ee7 1
208 2 314 1 "Not handling restraint 314, item 1, resonance(s) ' .18.QB1' (nmrStar names) not linked" rr_1ee7 1
209 2 315 1 "Not handling restraint 315, item 1, resonance(s) ' .18.QB2' (nmrStar names) not linked" rr_1ee7 1
210 2 316 1 "Not handling restraint 316, item 1, resonance(s) ' .18.QB2' (nmrStar names) not linked" rr_1ee7 1
211 2 317 1 "Not handling restraint 317, item 1, resonance(s) ' .20.HN' (nmrStar names),' .18.QB2' (nmrStar names) not linked" rr_1ee7 1
212 2 318 1 "Not handling restraint 318, item 1, resonance(s) ' .18.QB2' (nmrStar names),' .20.QB1' (nmrStar names) not linked" rr_1ee7 1
213 2 319 1 "Not handling restraint 319, item 1, resonance(s) ' .18.QB2' (nmrStar names),' .20.QB2' (nmrStar names) not linked" rr_1ee7 1
214 2 321 1 "Not handling restraint 321, item 1, resonance(s) ' .19.HB3' (nmrStar names) not linked" rr_1ee7 1
215 2 325 1 "Not handling restraint 325, item 1, resonance(s) ' .20.HN' (nmrStar names) not linked" rr_1ee7 1
216 2 326 1 "Not handling restraint 326, item 1, resonance(s) ' .20.QB1' (nmrStar names) not linked" rr_1ee7 1
217 2 327 1 "Not handling restraint 327, item 1, resonance(s) ' .20.QB2' (nmrStar names) not linked" rr_1ee7 1
218 2 328 1 "Not handling restraint 328, item 1, resonance(s) ' .20.HN' (nmrStar names) not linked" rr_1ee7 1
219 2 329 1 "Not handling restraint 329, item 1, resonance(s) ' .20.QB2' (nmrStar names) not linked" rr_1ee7 1
220 2 330 1 "Not handling restraint 330, item 1, resonance(s) ' .20.HN' (nmrStar names) not linked" rr_1ee7 1
221 2 332 1 "Not handling restraint 332, item 1, resonance(s) ' .20.HN' (nmrStar names),' .19.HB3' (nmrStar names) not linked" rr_1ee7 1
222 2 333 1 "Not handling restraint 333, item 1, resonance(s) ' .19.HB3' (nmrStar names) not linked" rr_1ee7 1
223 2 334 1 "Not handling restraint 334, item 1, resonance(s) ' .20.HN' (nmrStar names) not linked" rr_1ee7 1
224 2 334 1 "Not handling restraint 334, item 1, resonance(s) ' .20.HN' (nmrStar names) not linked" rr_1ee7 1
225 2 336 1 "Not handling restraint 336, item 1, resonance(s) ' .20.HN' (nmrStar names) not linked" rr_1ee7 1
226 2 339 1 "Not handling restraint 339, item 1, resonance(s) ' .20.QB2' (nmrStar names) not linked" rr_1ee7 1
stop_
save_
save_DYANA/DIANA_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_2_1
_Distance_constraint_list.Entry_ID rr_1ee7
_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 2
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_1ee7 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_1ee7 1
2 1 . . . rr_1ee7 1
3 1 . . . rr_1ee7 1
4 1 . . . rr_1ee7 1
5 1 . . . rr_1ee7 1
6 1 . . . rr_1ee7 1
7 1 . . . rr_1ee7 1
8 1 . . . rr_1ee7 1
9 1 . . . rr_1ee7 1
10 1 . . . rr_1ee7 1
11 1 . . . rr_1ee7 1
12 1 . . . rr_1ee7 1
13 1 . . . rr_1ee7 1
14 1 . . . rr_1ee7 1
15 1 . . . rr_1ee7 1
16 1 2 . OR rr_1ee7 1
16 2 . 3 . rr_1ee7 1
16 3 . . . rr_1ee7 1
17 1 . . . rr_1ee7 1
18 1 . . . rr_1ee7 1
19 1 2 . OR rr_1ee7 1
19 2 . 3 . rr_1ee7 1
19 3 . . . rr_1ee7 1
20 1 . . . rr_1ee7 1
21 1 . . . rr_1ee7 1
22 1 . . . rr_1ee7 1
23 1 . . . rr_1ee7 1
24 1 . . . rr_1ee7 1
25 1 . . . rr_1ee7 1
26 1 . . . rr_1ee7 1
27 1 . . . rr_1ee7 1
28 1 2 . OR rr_1ee7 1
28 2 . 3 . rr_1ee7 1
28 3 . . . rr_1ee7 1
29 1 2 . OR rr_1ee7 1
29 2 . 3 . rr_1ee7 1
29 3 . . . rr_1ee7 1
30 1 2 . OR rr_1ee7 1
30 2 . 3 . rr_1ee7 1
30 3 . 4 . rr_1ee7 1
30 4 . 5 . rr_1ee7 1
30 5 . . . rr_1ee7 1
31 1 2 . OR rr_1ee7 1
31 2 . 3 . rr_1ee7 1
31 3 . . . rr_1ee7 1
32 1 2 . OR rr_1ee7 1
32 2 . 3 . rr_1ee7 1
32 3 . . . rr_1ee7 1
33 1 . . . rr_1ee7 1
34 1 . . . rr_1ee7 1
35 1 . . . rr_1ee7 1
36 1 . . . rr_1ee7 1
37 1 . . . rr_1ee7 1
38 1 . . . rr_1ee7 1
39 1 . . . rr_1ee7 1
40 1 . . . rr_1ee7 1
41 1 . . . rr_1ee7 1
42 1 . . . rr_1ee7 1
43 1 . . . rr_1ee7 1
44 1 . . . rr_1ee7 1
45 1 . . . rr_1ee7 1
46 1 . . . rr_1ee7 1
47 1 . . . rr_1ee7 1
48 1 . . . rr_1ee7 1
49 1 2 . OR rr_1ee7 1
49 2 . 3 . rr_1ee7 1
49 3 . . . rr_1ee7 1
50 1 . . . rr_1ee7 1
51 1 . . . rr_1ee7 1
52 1 . . . rr_1ee7 1
53 1 . . . rr_1ee7 1
54 1 . . . rr_1ee7 1
55 1 . . . rr_1ee7 1
56 1 . . . rr_1ee7 1
57 1 . . . rr_1ee7 1
58 1 . . . rr_1ee7 1
59 1 2 . OR rr_1ee7 1
59 2 . 3 . rr_1ee7 1
59 3 . . . rr_1ee7 1
60 1 . . . rr_1ee7 1
61 1 . . . rr_1ee7 1
62 1 . . . rr_1ee7 1
63 1 . . . rr_1ee7 1
64 1 . . . rr_1ee7 1
65 1 . . . rr_1ee7 1
66 1 . . . rr_1ee7 1
67 1 . . . rr_1ee7 1
68 1 2 . OR rr_1ee7 1
68 2 . 3 . rr_1ee7 1
68 3 . . . rr_1ee7 1
69 1 . . . rr_1ee7 1
70 1 . . . rr_1ee7 1
71 1 . . . rr_1ee7 1
72 1 . . . rr_1ee7 1
73 1 . . . rr_1ee7 1
74 1 . . . rr_1ee7 1
75 1 . . . rr_1ee7 1
76 1 . . . rr_1ee7 1
77 1 . . . rr_1ee7 1
78 1 . . . rr_1ee7 1
79 1 . . . rr_1ee7 1
80 1 . . . rr_1ee7 1
81 1 . . . rr_1ee7 1
82 1 . . . rr_1ee7 1
83 1 . . . rr_1ee7 1
84 1 . . . rr_1ee7 1
85 1 . . . rr_1ee7 1
86 1 . . . rr_1ee7 1
87 1 . . . rr_1ee7 1
88 1 . . . rr_1ee7 1
89 1 . . . rr_1ee7 1
90 1 . . . rr_1ee7 1
91 1 . . . rr_1ee7 1
92 1 . . . rr_1ee7 1
93 1 . . . rr_1ee7 1
94 1 . . . rr_1ee7 1
95 1 . . . rr_1ee7 1
96 1 . . . rr_1ee7 1
97 1 . . . rr_1ee7 1
98 1 . . . rr_1ee7 1
99 1 . . . rr_1ee7 1
100 1 . . . rr_1ee7 1
101 1 . . . rr_1ee7 1
102 1 . . . rr_1ee7 1
103 1 . . . rr_1ee7 1
104 1 . . . rr_1ee7 1
105 1 . . . rr_1ee7 1
106 1 . . . rr_1ee7 1
107 1 . . . rr_1ee7 1
108 1 . . . rr_1ee7 1
109 1 . . . rr_1ee7 1
110 1 . . . rr_1ee7 1
111 1 . . . rr_1ee7 1
112 1 . . . rr_1ee7 1
113 1 . . . rr_1ee7 1
114 1 2 . OR rr_1ee7 1
114 2 . 3 . rr_1ee7 1
114 3 . . . rr_1ee7 1
115 1 . . . rr_1ee7 1
116 1 . . . rr_1ee7 1
117 1 . . . rr_1ee7 1
118 1 2 . OR rr_1ee7 1
118 2 . 3 . rr_1ee7 1
118 3 . . . rr_1ee7 1
119 1 2 . OR rr_1ee7 1
119 2 . 3 . rr_1ee7 1
119 3 . . . rr_1ee7 1
120 1 . . . rr_1ee7 1
121 1 2 . OR rr_1ee7 1
121 2 . 3 . rr_1ee7 1
121 3 . . . rr_1ee7 1
122 1 2 . OR rr_1ee7 1
122 2 . 3 . rr_1ee7 1
122 3 . . . rr_1ee7 1
123 1 2 . OR rr_1ee7 1
123 2 . 3 . rr_1ee7 1
123 3 . . . rr_1ee7 1
124 1 . . . rr_1ee7 1
125 1 2 . OR rr_1ee7 1
125 2 . 3 . rr_1ee7 1
125 3 . . . rr_1ee7 1
126 1 . . . rr_1ee7 1
127 1 . . . rr_1ee7 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 2 2 PHE H H . . . . 2 PHE HN rr_1ee7 1
1 1 . 2 . 1 1 2 2 PHE HB3 H . . . . 2 PHE HB2 rr_1ee7 1
2 1 . 1 . 1 1 2 2 PHE H H . . . . 2 PHE HN rr_1ee7 1
2 1 . 2 . 1 1 3 3 ABA H H . . . . 3 AIB HN rr_1ee7 1
3 1 . 1 . 1 1 2 2 PHE H H . . . . 2 PHE HN rr_1ee7 1
3 1 . 2 . 1 1 4 4 SER H H . . . . 4 SER HN rr_1ee7 1
4 1 . 1 . 1 1 2 2 PHE H H . . . . 2 PHE HN rr_1ee7 1
4 1 . 2 . 1 1 5 5 ABA H H . . . . 5 AIB HN rr_1ee7 1
5 1 . 1 . 1 1 2 2 PHE HA H . . . . 2 PHE HA rr_1ee7 1
5 1 . 2 . 1 1 2 2 PHE HB3 H . . . . 2 PHE HB2 rr_1ee7 1
6 1 . 1 . 1 1 2 2 PHE HA H . . . . 2 PHE HA rr_1ee7 1
6 1 . 2 . 1 1 3 3 ABA H H . . . . 3 AIB HN rr_1ee7 1
7 1 . 1 . 1 1 2 2 PHE HA H . . . . 2 PHE HA rr_1ee7 1
7 1 . 2 . 1 1 4 4 SER H H . . . . 4 SER HN rr_1ee7 1
8 1 . 1 . 1 1 2 2 PHE HA H . . . . 2 PHE HA rr_1ee7 1
8 1 . 2 . 1 1 5 5 ABA H H . . . . 5 AIB HN rr_1ee7 1
9 1 . 1 . 1 1 2 2 PHE HB3 H . . . . 2 PHE HB2 rr_1ee7 1
9 1 . 2 . 1 1 3 3 ABA H H . . . . 3 AIB HN rr_1ee7 1
10 1 . 1 . 1 1 2 2 PHE HB3 H . . . . 2 PHE HB2 rr_1ee7 1
10 1 . 2 . 1 1 5 5 ABA H H . . . . 5 AIB HN rr_1ee7 1
11 1 . 1 . 1 1 2 2 PHE QD H . . . . 2 PHE QD rr_1ee7 1
11 1 . 2 . 1 1 3 3 ABA H H . . . . 3 AIB HN rr_1ee7 1
12 1 . 1 . 1 1 2 2 PHE QD H . . . . 2 PHE QD rr_1ee7 1
12 1 . 2 . 1 1 4 4 SER H H . . . . 4 SER HN rr_1ee7 1
13 1 . 1 . 1 1 2 2 PHE QD H . . . . 2 PHE QD rr_1ee7 1
13 1 . 2 . 1 1 5 5 ABA H H . . . . 5 AIB HN rr_1ee7 1
14 1 . 1 . 1 1 3 3 ABA H H . . . . 3 AIB HN rr_1ee7 1
14 1 . 2 . 1 1 4 4 SER H H . . . . 4 SER HN rr_1ee7 1
15 1 . 1 . 1 1 3 3 ABA H H . . . . 3 AIB HN rr_1ee7 1
15 1 . 2 . 1 1 4 4 SER HA H . . . . 4 SER HA rr_1ee7 1
16 2 . 1 . 1 1 3 3 ABA H H . . . . 3 AIB HN rr_1ee7 1
16 2 . 2 . 1 1 4 4 SER HB2 H . . . . 4 SER QB rr_1ee7 1
16 3 . 1 . 1 1 3 3 ABA H H . . . . 3 AIB HN rr_1ee7 1
16 3 . 2 . 1 1 4 4 SER HB3 H . . . . 4 SER QB rr_1ee7 1
17 1 . 1 . 1 1 3 3 ABA H H . . . . 3 AIB HN rr_1ee7 1
17 1 . 2 . 1 1 5 5 ABA H H . . . . 5 AIB HN rr_1ee7 1
18 1 . 1 . 1 1 4 4 SER H H . . . . 4 SER HN rr_1ee7 1
18 1 . 2 . 1 1 4 4 SER HA H . . . . 4 SER HA rr_1ee7 1
19 2 . 1 . 1 1 4 4 SER H H . . . . 4 SER HN rr_1ee7 1
19 2 . 2 . 1 1 4 4 SER HB2 H . . . . 4 SER QB rr_1ee7 1
19 3 . 1 . 1 1 4 4 SER H H . . . . 4 SER HN rr_1ee7 1
19 3 . 2 . 1 1 4 4 SER HB3 H . . . . 4 SER QB rr_1ee7 1
20 1 . 1 . 1 1 4 4 SER H H . . . . 4 SER HN rr_1ee7 1
20 1 . 2 . 1 1 5 5 ABA H H . . . . 5 AIB HN rr_1ee7 1
21 1 . 1 . 1 1 4 4 SER H H . . . . 4 SER HN rr_1ee7 1
21 1 . 2 . 1 1 7 7 LEU H H . . . . 7 LEU HN rr_1ee7 1
22 1 . 1 . 1 1 4 4 SER H H . . . . 4 SER HN rr_1ee7 1
22 1 . 2 . 1 1 7 7 LEU HB3 H . . . . 7 LEU HB2 rr_1ee7 1
23 1 . 1 . 1 1 4 4 SER HA H . . . . 4 SER HA rr_1ee7 1
23 1 . 2 . 1 1 5 5 ABA H H . . . . 5 AIB HN rr_1ee7 1
24 1 . 1 . 1 1 4 4 SER HA H . . . . 4 SER HA rr_1ee7 1
24 1 . 2 . 1 1 7 7 LEU H H . . . . 7 LEU HN rr_1ee7 1
25 1 . 1 . 1 1 4 4 SER HA H . . . . 4 SER HA rr_1ee7 1
25 1 . 2 . 1 1 7 7 LEU HB3 H . . . . 7 LEU HB2 rr_1ee7 1
26 1 . 1 . 1 1 4 4 SER HA H . . . . 4 SER HA rr_1ee7 1
26 1 . 2 . 1 1 7 7 LEU MD1 H . . . . 7 LEU QD1 rr_1ee7 1
27 1 . 1 . 1 1 4 4 SER HA H . . . . 4 SER HA rr_1ee7 1
27 1 . 2 . 1 1 7 7 LEU MD2 H . . . . 7 LEU QD2 rr_1ee7 1
28 2 . 1 . 1 1 4 4 SER HB2 H . . . . 4 SER QB rr_1ee7 1
28 2 . 2 . 1 1 5 5 ABA H H . . . . 5 AIB HN rr_1ee7 1
28 3 . 1 . 1 1 4 4 SER HB3 H . . . . 4 SER QB rr_1ee7 1
28 3 . 2 . 1 1 5 5 ABA H H . . . . 5 AIB HN rr_1ee7 1
29 2 . 1 . 1 1 4 4 SER HB2 H . . . . 4 SER QB rr_1ee7 1
29 2 . 2 . 1 1 7 7 LEU MD2 H . . . . 7 LEU QD2 rr_1ee7 1
29 3 . 1 . 1 1 4 4 SER HB3 H . . . . 4 SER QB rr_1ee7 1
29 3 . 2 . 1 1 7 7 LEU MD2 H . . . . 7 LEU QD2 rr_1ee7 1
30 2 . 1 . 1 1 4 4 SER HB2 H . . . . 4 SER QB rr_1ee7 1
30 2 . 2 . 1 1 8 8 GLN HG2 H . . . . 8 GLN QG rr_1ee7 1
30 3 . 1 . 1 1 4 4 SER HB3 H . . . . 4 SER QB rr_1ee7 1
30 3 . 2 . 1 1 8 8 GLN HG2 H . . . . 8 GLN QG rr_1ee7 1
30 4 . 1 . 1 1 4 4 SER HB2 H . . . . 4 SER QB rr_1ee7 1
30 4 . 2 . 1 1 8 8 GLN HG3 H . . . . 8 GLN QG rr_1ee7 1
30 5 . 1 . 1 1 4 4 SER HB3 H . . . . 4 SER QB rr_1ee7 1
30 5 . 2 . 1 1 8 8 GLN HG3 H . . . . 8 GLN QG rr_1ee7 1
31 2 . 1 . 1 1 4 4 SER HB2 H . . . . 4 SER QB rr_1ee7 1
31 2 . 2 . 1 1 8 8 GLN HE21 H . . . . 8 GLN HE21 rr_1ee7 1
31 3 . 1 . 1 1 4 4 SER HB3 H . . . . 4 SER QB rr_1ee7 1
31 3 . 2 . 1 1 8 8 GLN HE21 H . . . . 8 GLN HE21 rr_1ee7 1
32 2 . 1 . 1 1 4 4 SER HB2 H . . . . 4 SER QB rr_1ee7 1
32 2 . 2 . 1 1 8 8 GLN HE22 H . . . . 8 GLN HE22 rr_1ee7 1
32 3 . 1 . 1 1 4 4 SER HB3 H . . . . 4 SER QB rr_1ee7 1
32 3 . 2 . 1 1 8 8 GLN HE22 H . . . . 8 GLN HE22 rr_1ee7 1
33 1 . 1 . 1 1 7 7 LEU H H . . . . 7 LEU HN rr_1ee7 1
33 1 . 2 . 1 1 7 7 LEU HA H . . . . 7 LEU HA rr_1ee7 1
34 1 . 1 . 1 1 7 7 LEU H H . . . . 7 LEU HN rr_1ee7 1
34 1 . 2 . 1 1 7 7 LEU HB3 H . . . . 7 LEU HB2 rr_1ee7 1
35 1 . 1 . 1 1 7 7 LEU H H . . . . 7 LEU HN rr_1ee7 1
35 1 . 2 . 1 1 7 7 LEU MD1 H . . . . 7 LEU QD1 rr_1ee7 1
36 1 . 1 . 1 1 7 7 LEU H H . . . . 7 LEU HN rr_1ee7 1
36 1 . 2 . 1 1 7 7 LEU MD2 H . . . . 7 LEU QD2 rr_1ee7 1
37 1 . 1 . 1 1 7 7 LEU H H . . . . 7 LEU HN rr_1ee7 1
37 1 . 2 . 1 1 8 8 GLN H H . . . . 8 GLN HN rr_1ee7 1
38 1 . 1 . 1 1 7 7 LEU H H . . . . 7 LEU HN rr_1ee7 1
38 1 . 2 . 1 1 8 8 GLN HB3 H . . . . 8 GLN HB2 rr_1ee7 1
39 1 . 1 . 1 1 7 7 LEU H H . . . . 7 LEU HN rr_1ee7 1
39 1 . 2 . 1 1 8 8 GLN HG3 H . . . . 8 GLN HG2 rr_1ee7 1
40 1 . 1 . 1 1 7 7 LEU H H . . . . 7 LEU HN rr_1ee7 1
40 1 . 2 . 1 1 9 9 GLY H H . . . . 9 GLY HN rr_1ee7 1
41 1 . 1 . 1 1 7 7 LEU HA H . . . . 7 LEU HA rr_1ee7 1
41 1 . 2 . 1 1 7 7 LEU HG H . . . . 7 LEU HG rr_1ee7 1
42 1 . 1 . 1 1 7 7 LEU HA H . . . . 7 LEU HA rr_1ee7 1
42 1 . 2 . 1 1 7 7 LEU MD1 H . . . . 7 LEU QD1 rr_1ee7 1
43 1 . 1 . 1 1 7 7 LEU HA H . . . . 7 LEU HA rr_1ee7 1
43 1 . 2 . 1 1 7 7 LEU MD2 H . . . . 7 LEU QD2 rr_1ee7 1
44 1 . 1 . 1 1 7 7 LEU HA H . . . . 7 LEU HA rr_1ee7 1
44 1 . 2 . 1 1 9 9 GLY H H . . . . 9 GLY HN rr_1ee7 1
45 1 . 1 . 1 1 7 7 LEU HA H . . . . 7 LEU HA rr_1ee7 1
45 1 . 2 . 1 1 10 10 ABA H H . . . . 10 AIB HN rr_1ee7 1
46 1 . 1 . 1 1 7 7 LEU HA H . . . . 7 LEU HA rr_1ee7 1
46 1 . 2 . 1 1 11 11 ABA H H . . . . 11 AIB HN rr_1ee7 1
47 1 . 1 . 1 1 7 7 LEU HB3 H . . . . 7 LEU HB2 rr_1ee7 1
47 1 . 2 . 1 1 8 8 GLN H H . . . . 8 GLN HN rr_1ee7 1
48 1 . 1 . 1 1 7 7 LEU HB3 H . . . . 7 LEU HB2 rr_1ee7 1
48 1 . 2 . 1 1 8 8 GLN HA H . . . . 8 GLN HA rr_1ee7 1
49 2 . 1 . 1 1 7 7 LEU HB3 H . . . . 7 LEU HB2 rr_1ee7 1
49 2 . 2 . 1 1 8 8 GLN HG2 H . . . . 8 GLN QG rr_1ee7 1
49 3 . 1 . 1 1 7 7 LEU HB3 H . . . . 7 LEU HB2 rr_1ee7 1
49 3 . 2 . 1 1 8 8 GLN HG3 H . . . . 8 GLN QG rr_1ee7 1
50 1 . 1 . 1 1 7 7 LEU HB3 H . . . . 7 LEU HB2 rr_1ee7 1
50 1 . 2 . 1 1 9 9 GLY H H . . . . 9 GLY HN rr_1ee7 1
51 1 . 1 . 1 1 7 7 LEU HG H . . . . 7 LEU HG rr_1ee7 1
51 1 . 2 . 1 1 8 8 GLN H H . . . . 8 GLN HN rr_1ee7 1
52 1 . 1 . 1 1 7 7 LEU HG H . . . . 7 LEU HG rr_1ee7 1
52 1 . 2 . 1 1 10 10 ABA H H . . . . 10 AIB HN rr_1ee7 1
53 1 . 1 . 1 1 7 7 LEU MD1 H . . . . 7 LEU QD1 rr_1ee7 1
53 1 . 2 . 1 1 8 8 GLN H H . . . . 8 GLN HN rr_1ee7 1
54 1 . 1 . 1 1 7 7 LEU MD1 H . . . . 7 LEU QD1 rr_1ee7 1
54 1 . 2 . 1 1 10 10 ABA H H . . . . 10 AIB HN rr_1ee7 1
55 1 . 1 . 1 1 7 7 LEU MD1 H . . . . 7 LEU QD1 rr_1ee7 1
55 1 . 2 . 1 1 11 11 ABA H H . . . . 11 AIB HN rr_1ee7 1
56 1 . 1 . 1 1 7 7 LEU MD2 H . . . . 7 LEU QD2 rr_1ee7 1
56 1 . 2 . 1 1 8 8 GLN H H . . . . 8 GLN HN rr_1ee7 1
57 1 . 1 . 1 1 8 8 GLN H H . . . . 8 GLN HN rr_1ee7 1
57 1 . 2 . 1 1 8 8 GLN HB3 H . . . . 8 GLN HB2 rr_1ee7 1
58 1 . 1 . 1 1 8 8 GLN H H . . . . 8 GLN HN rr_1ee7 1
58 1 . 2 . 1 1 8 8 GLN HG3 H . . . . 8 GLN HG2 rr_1ee7 1
59 2 . 1 . 1 1 8 8 GLN H H . . . . 8 GLN HN rr_1ee7 1
59 2 . 2 . 1 1 8 8 GLN HG2 H . . . . 8 GLN QG rr_1ee7 1
59 3 . 1 . 1 1 8 8 GLN H H . . . . 8 GLN HN rr_1ee7 1
59 3 . 2 . 1 1 8 8 GLN HG3 H . . . . 8 GLN QG rr_1ee7 1
60 1 . 1 . 1 1 8 8 GLN H H . . . . 8 GLN HN rr_1ee7 1
60 1 . 2 . 1 1 9 9 GLY H H . . . . 9 GLY HN rr_1ee7 1
61 1 . 1 . 1 1 8 8 GLN H H . . . . 8 GLN HN rr_1ee7 1
61 1 . 2 . 1 1 10 10 ABA H H . . . . 10 AIB HN rr_1ee7 1
62 1 . 1 . 1 1 8 8 GLN HA H . . . . 8 GLN HA rr_1ee7 1
62 1 . 2 . 1 1 9 9 GLY H H . . . . 9 GLY HN rr_1ee7 1
63 1 . 1 . 1 1 8 8 GLN HA H . . . . 8 GLN HA rr_1ee7 1
63 1 . 2 . 1 1 9 9 GLY HA3 H . . . . 9 GLY HA2 rr_1ee7 1
64 1 . 1 . 1 1 8 8 GLN HA H . . . . 8 GLN HA rr_1ee7 1
64 1 . 2 . 1 1 10 10 ABA H H . . . . 10 AIB HN rr_1ee7 1
65 1 . 1 . 1 1 8 8 GLN HA H . . . . 8 GLN HA rr_1ee7 1
65 1 . 2 . 1 1 11 11 ABA H H . . . . 11 AIB HN rr_1ee7 1
66 1 . 1 . 1 1 8 8 GLN HB3 H . . . . 8 GLN HB2 rr_1ee7 1
66 1 . 2 . 1 1 9 9 GLY H H . . . . 9 GLY HN rr_1ee7 1
67 1 . 1 . 1 1 8 8 GLN HG3 H . . . . 8 GLN HG2 rr_1ee7 1
67 1 . 2 . 1 1 9 9 GLY H H . . . . 9 GLY HN rr_1ee7 1
68 2 . 1 . 1 1 8 8 GLN HG2 H . . . . 8 GLN QG rr_1ee7 1
68 2 . 2 . 1 1 9 9 GLY H H . . . . 9 GLY HN rr_1ee7 1
68 3 . 1 . 1 1 8 8 GLN HG3 H . . . . 8 GLN QG rr_1ee7 1
68 3 . 2 . 1 1 9 9 GLY H H . . . . 9 GLY HN rr_1ee7 1
69 1 . 1 . 1 1 9 9 GLY H H . . . . 9 GLY HN rr_1ee7 1
69 1 . 2 . 1 1 9 9 GLY HA2 H . . . . 9 GLY HA1 rr_1ee7 1
70 1 . 1 . 1 1 9 9 GLY H H . . . . 9 GLY HN rr_1ee7 1
70 1 . 2 . 1 1 9 9 GLY HA3 H . . . . 9 GLY HA2 rr_1ee7 1
71 1 . 1 . 1 1 9 9 GLY H H . . . . 9 GLY HN rr_1ee7 1
71 1 . 2 . 1 1 10 10 ABA H H . . . . 10 AIB HN rr_1ee7 1
72 1 . 1 . 1 1 9 9 GLY HA2 H . . . . 9 GLY HA1 rr_1ee7 1
72 1 . 2 . 1 1 10 10 ABA H H . . . . 10 AIB HN rr_1ee7 1
73 1 . 1 . 1 1 9 9 GLY HA2 H . . . . 9 GLY HA1 rr_1ee7 1
73 1 . 2 . 1 1 12 12 ALA H H . . . . 12 ALA HN rr_1ee7 1
74 1 . 1 . 1 1 9 9 GLY HA3 H . . . . 9 GLY HA2 rr_1ee7 1
74 1 . 2 . 1 1 10 10 ABA H H . . . . 10 AIB HN rr_1ee7 1
75 1 . 1 . 1 1 9 9 GLY HA3 H . . . . 9 GLY HA2 rr_1ee7 1
75 1 . 2 . 1 1 11 11 ABA H H . . . . 11 AIB HN rr_1ee7 1
76 1 . 1 . 1 1 9 9 GLY HA3 H . . . . 9 GLY HA2 rr_1ee7 1
76 1 . 2 . 1 1 12 12 ALA H H . . . . 12 ALA HN rr_1ee7 1
77 1 . 1 . 1 1 9 9 GLY HA3 H . . . . 9 GLY HA2 rr_1ee7 1
77 1 . 2 . 1 1 12 12 ALA MB H . . . . 12 ALA QB rr_1ee7 1
78 1 . 1 . 1 1 9 9 GLY HA3 H . . . . 9 GLY HA2 rr_1ee7 1
78 1 . 2 . 1 1 13 13 ALA H H . . . . 13 ALA HN rr_1ee7 1
79 1 . 1 . 1 1 10 10 ABA H H . . . . 10 AIB HN rr_1ee7 1
79 1 . 2 . 1 1 11 11 ABA H H . . . . 11 AIB HN rr_1ee7 1
80 1 . 1 . 1 1 10 10 ABA H H . . . . 10 AIB HN rr_1ee7 1
80 1 . 2 . 1 1 12 12 ALA H H . . . . 12 ALA HN rr_1ee7 1
81 1 . 1 . 1 1 11 11 ABA H H . . . . 11 AIB HN rr_1ee7 1
81 1 . 2 . 1 1 12 12 ALA H H . . . . 12 ALA HN rr_1ee7 1
82 1 . 1 . 1 1 12 12 ALA H H . . . . 12 ALA HN rr_1ee7 1
82 1 . 2 . 1 1 12 12 ALA HA H . . . . 12 ALA HA rr_1ee7 1
83 1 . 1 . 1 1 12 12 ALA H H . . . . 12 ALA HN rr_1ee7 1
83 1 . 2 . 1 1 12 12 ALA MB H . . . . 12 ALA QB rr_1ee7 1
84 1 . 1 . 1 1 12 12 ALA H H . . . . 12 ALA HN rr_1ee7 1
84 1 . 2 . 1 1 13 13 ALA H H . . . . 13 ALA HN rr_1ee7 1
85 1 . 1 . 1 1 12 12 ALA H H . . . . 12 ALA HN rr_1ee7 1
85 1 . 2 . 1 1 13 13 ALA HA H . . . . 13 ALA HA rr_1ee7 1
86 1 . 1 . 1 1 12 12 ALA H H . . . . 12 ALA HN rr_1ee7 1
86 1 . 2 . 1 1 14 14 ABA H H . . . . 14 AIB HN rr_1ee7 1
87 1 . 1 . 1 1 12 12 ALA H H . . . . 12 ALA HN rr_1ee7 1
87 1 . 2 . 1 1 15 15 PRO HD3 H . . . . 15 PRO HD2 rr_1ee7 1
88 1 . 1 . 1 1 12 12 ALA HA H . . . . 12 ALA HA rr_1ee7 1
88 1 . 2 . 1 1 13 13 ALA H H . . . . 13 ALA HN rr_1ee7 1
89 1 . 1 . 1 1 12 12 ALA HA H . . . . 12 ALA HA rr_1ee7 1
89 1 . 2 . 1 1 13 13 ALA HA H . . . . 13 ALA HA rr_1ee7 1
90 1 . 1 . 1 1 12 12 ALA HA H . . . . 12 ALA HA rr_1ee7 1
90 1 . 2 . 1 1 14 14 ABA H H . . . . 14 AIB HN rr_1ee7 1
91 1 . 1 . 1 1 12 12 ALA HA H . . . . 12 ALA HA rr_1ee7 1
91 1 . 2 . 1 1 15 15 PRO HD3 H . . . . 15 PRO HD2 rr_1ee7 1
92 1 . 1 . 1 1 13 13 ALA H H . . . . 13 ALA HN rr_1ee7 1
92 1 . 2 . 1 1 13 13 ALA MB H . . . . 13 ALA QB rr_1ee7 1
93 1 . 1 . 1 1 13 13 ALA H H . . . . 13 ALA HN rr_1ee7 1
93 1 . 2 . 1 1 14 14 ABA H H . . . . 14 AIB HN rr_1ee7 1
94 1 . 1 . 1 1 13 13 ALA H H . . . . 13 ALA HN rr_1ee7 1
94 1 . 2 . 1 1 15 15 PRO HD3 H . . . . 15 PRO HD2 rr_1ee7 1
95 1 . 1 . 1 1 13 13 ALA HA H . . . . 13 ALA HA rr_1ee7 1
95 1 . 2 . 1 1 15 15 PRO HG3 H . . . . 15 PRO HG2 rr_1ee7 1
96 1 . 1 . 1 1 13 13 ALA HA H . . . . 13 ALA HA rr_1ee7 1
96 1 . 2 . 1 1 15 15 PRO HD3 H . . . . 15 PRO HD2 rr_1ee7 1
97 1 . 1 . 1 1 13 13 ALA HA H . . . . 13 ALA HA rr_1ee7 1
97 1 . 2 . 1 1 16 16 ABA H H . . . . 16 AIB HN rr_1ee7 1
98 1 . 1 . 1 1 13 13 ALA HA H . . . . 13 ALA HA rr_1ee7 1
98 1 . 2 . 1 1 17 17 ABA H H . . . . 17 AIB HN rr_1ee7 1
99 1 . 1 . 1 1 13 13 ALA MB H . . . . 13 ALA QB rr_1ee7 1
99 1 . 2 . 1 1 15 15 PRO HD3 H . . . . 15 PRO HD2 rr_1ee7 1
100 1 . 1 . 1 1 14 14 ABA H H . . . . 14 AIB HN rr_1ee7 1
100 1 . 2 . 1 1 15 15 PRO HG3 H . . . . 15 PRO HG2 rr_1ee7 1
101 1 . 1 . 1 1 14 14 ABA H H . . . . 14 AIB HN rr_1ee7 1
101 1 . 2 . 1 1 15 15 PRO HD3 H . . . . 15 PRO HD2 rr_1ee7 1
102 1 . 1 . 1 1 14 14 ABA H H . . . . 14 AIB HN rr_1ee7 1
102 1 . 2 . 1 1 16 16 ABA H H . . . . 16 AIB HN rr_1ee7 1
103 1 . 1 . 1 1 14 14 ABA H H . . . . 14 AIB HN rr_1ee7 1
103 1 . 2 . 1 1 17 17 ABA H H . . . . 17 AIB HN rr_1ee7 1
104 1 . 1 . 1 1 15 15 PRO HA H . . . . 15 PRO HA rr_1ee7 1
104 1 . 2 . 1 1 17 17 ABA H H . . . . 17 AIB HN rr_1ee7 1
105 1 . 1 . 1 1 15 15 PRO HA H . . . . 15 PRO HA rr_1ee7 1
105 1 . 2 . 1 1 18 18 ABA H H . . . . 18 AIB HN rr_1ee7 1
106 1 . 1 . 1 1 15 15 PRO HB3 H . . . . 15 PRO HB2 rr_1ee7 1
106 1 . 2 . 1 1 16 16 ABA H H . . . . 16 AIB HN rr_1ee7 1
107 1 . 1 . 1 1 15 15 PRO HB3 H . . . . 15 PRO HB2 rr_1ee7 1
107 1 . 2 . 1 1 17 17 ABA H H . . . . 17 AIB HN rr_1ee7 1
108 1 . 1 . 1 1 15 15 PRO HB3 H . . . . 15 PRO HB2 rr_1ee7 1
108 1 . 2 . 1 1 18 18 ABA H H . . . . 18 AIB HN rr_1ee7 1
109 1 . 1 . 1 1 15 15 PRO HG3 H . . . . 15 PRO HG2 rr_1ee7 1
109 1 . 2 . 1 1 16 16 ABA H H . . . . 16 AIB HN rr_1ee7 1
110 1 . 1 . 1 1 15 15 PRO HG3 H . . . . 15 PRO HG2 rr_1ee7 1
110 1 . 2 . 1 1 17 17 ABA H H . . . . 17 AIB HN rr_1ee7 1
111 1 . 1 . 1 1 15 15 PRO HD3 H . . . . 15 PRO HD2 rr_1ee7 1
111 1 . 2 . 1 1 16 16 ABA H H . . . . 16 AIB HN rr_1ee7 1
112 1 . 1 . 1 1 15 15 PRO HD3 H . . . . 15 PRO HD2 rr_1ee7 1
112 1 . 2 . 1 1 17 17 ABA H H . . . . 17 AIB HN rr_1ee7 1
113 1 . 1 . 1 1 17 17 ABA H H . . . . 17 AIB HN rr_1ee7 1
113 1 . 2 . 1 1 18 18 ABA H H . . . . 18 AIB HN rr_1ee7 1
114 2 . 1 . 1 1 17 17 ABA H H . . . . 17 AIB HN rr_1ee7 1
114 2 . 2 . 1 1 19 19 GLN HG2 H . . . . 19 GLN QG rr_1ee7 1
114 3 . 1 . 1 1 17 17 ABA H H . . . . 17 AIB HN rr_1ee7 1
114 3 . 2 . 1 1 19 19 GLN HG3 H . . . . 19 GLN QG rr_1ee7 1
115 1 . 1 . 1 1 18 18 ABA H H . . . . 18 AIB HN rr_1ee7 1
115 1 . 2 . 1 1 19 19 GLN H H . . . . 19 GLN HN rr_1ee7 1
116 1 . 1 . 1 1 18 18 ABA H H . . . . 18 AIB HN rr_1ee7 1
116 1 . 2 . 1 1 19 19 GLN HA H . . . . 19 GLN HA rr_1ee7 1
117 1 . 1 . 1 1 18 18 ABA H H . . . . 18 AIB HN rr_1ee7 1
117 1 . 2 . 1 1 19 19 GLN HB3 H . . . . 19 GLN HB2 rr_1ee7 1
118 2 . 1 . 1 1 18 18 ABA H H . . . . 18 AIB HN rr_1ee7 1
118 2 . 2 . 1 1 19 19 GLN HB3 H . . . . 19 GLN QB rr_1ee7 1
118 3 . 1 . 1 1 18 18 ABA H H . . . . 18 AIB HN rr_1ee7 1
118 3 . 2 . 1 1 19 19 GLN HB2 H . . . . 19 GLN QB rr_1ee7 1
119 2 . 1 . 1 1 18 18 ABA H H . . . . 18 AIB HN rr_1ee7 1
119 2 . 2 . 1 1 19 19 GLN HG2 H . . . . 19 GLN QG rr_1ee7 1
119 3 . 1 . 1 1 18 18 ABA H H . . . . 18 AIB HN rr_1ee7 1
119 3 . 2 . 1 1 19 19 GLN HG3 H . . . . 19 GLN QG rr_1ee7 1
120 1 . 1 . 1 1 19 19 GLN H H . . . . 19 GLN HN rr_1ee7 1
120 1 . 2 . 1 1 19 19 GLN HB3 H . . . . 19 GLN HB2 rr_1ee7 1
121 2 . 1 . 1 1 19 19 GLN H H . . . . 19 GLN HN rr_1ee7 1
121 2 . 2 . 1 1 19 19 GLN HB3 H . . . . 19 GLN QB rr_1ee7 1
121 3 . 1 . 1 1 19 19 GLN H H . . . . 19 GLN HN rr_1ee7 1
121 3 . 2 . 1 1 19 19 GLN HB2 H . . . . 19 GLN QB rr_1ee7 1
122 2 . 1 . 1 1 19 19 GLN H H . . . . 19 GLN HN rr_1ee7 1
122 2 . 2 . 1 1 19 19 GLN HG2 H . . . . 19 GLN QG rr_1ee7 1
122 3 . 1 . 1 1 19 19 GLN H H . . . . 19 GLN HN rr_1ee7 1
122 3 . 2 . 1 1 19 19 GLN HG3 H . . . . 19 GLN QG rr_1ee7 1
123 2 . 1 . 1 1 19 19 GLN H H . . . . 19 GLN HN rr_1ee7 1
123 2 . 2 . 1 1 19 19 GLN HE21 H . . . . 19 GLN QE2 rr_1ee7 1
123 3 . 1 . 1 1 19 19 GLN H H . . . . 19 GLN HN rr_1ee7 1
123 3 . 2 . 1 1 19 19 GLN HE22 H . . . . 19 GLN QE2 rr_1ee7 1
124 1 . 1 . 1 1 19 19 GLN HB3 H . . . . 19 GLN HB2 rr_1ee7 1
124 1 . 2 . 1 1 20 20 TPL HD1 H . . . . 20 TRO HD1 rr_1ee7 1
125 2 . 1 . 1 1 19 19 GLN HG2 H . . . . 19 GLN QG rr_1ee7 1
125 2 . 2 . 1 1 20 20 TPL HD1 H . . . . 20 TRO HD1 rr_1ee7 1
125 3 . 1 . 1 1 19 19 GLN HG3 H . . . . 19 GLN QG rr_1ee7 1
125 3 . 2 . 1 1 20 20 TPL HD1 H . . . . 20 TRO HD1 rr_1ee7 1
126 1 . 1 . 1 1 20 20 TPL HA H . . . . 20 TRO HA rr_1ee7 1
126 1 . 2 . 1 1 20 20 TPL HD1 H . . . . 20 TRO HD1 rr_1ee7 1
127 1 . 1 . 1 1 20 20 TPL HA H . . . . 20 TRO HA rr_1ee7 1
127 1 . 2 . 1 1 20 20 TPL HE3 H . . . . 20 TRO HE3 rr_1ee7 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 . . . . . . . . 2.80 rr_1ee7 1
2 1 . . . . . . . . 2.70 rr_1ee7 1
3 1 . . . . . . . . 5.00 rr_1ee7 1
4 1 . . . . . . . . 6.40 rr_1ee7 1
5 1 . . . . . . . . 2.60 rr_1ee7 1
6 1 . . . . . . . . 3.50 rr_1ee7 1
7 1 . . . . . . . . 4.50 rr_1ee7 1
8 1 . . . . . . . . 3.70 rr_1ee7 1
9 1 . . . . . . . . 3.70 rr_1ee7 1
10 1 . . . . . . . . 6.40 rr_1ee7 1
11 1 . . . . . . . . 7.40 rr_1ee7 1
12 1 . . . . . . . . 7.40 rr_1ee7 1
13 1 . . . . . . . . 8.40 rr_1ee7 1
14 1 . . . . . . . . 3.00 rr_1ee7 1
15 1 . . . . . . . . 6.40 rr_1ee7 1
16 2 . . . . . . . . 7.40 rr_1ee7 1
16 3 . . . . . . . . 7.40 rr_1ee7 1
17 1 . . . . . . . . 4.80 rr_1ee7 1
18 1 . . . . . . . . 2.80 rr_1ee7 1
19 2 . . . . . . . . 3.50 rr_1ee7 1
19 3 . . . . . . . . 3.50 rr_1ee7 1
20 1 . . . . . . . . 2.80 rr_1ee7 1
21 1 . . . . . . . . 5.00 rr_1ee7 1
22 1 . . . . . . . . 5.90 rr_1ee7 1
23 1 . . . . . . . . 3.30 rr_1ee7 1
24 1 . . . . . . . . 4.00 rr_1ee7 1
25 1 . . . . . . . . 3.30 rr_1ee7 1
26 1 . . . . . . . . 7.40 rr_1ee7 1
27 1 . . . . . . . . 6.00 rr_1ee7 1
28 2 . . . . . . . . 4.20 rr_1ee7 1
28 3 . . . . . . . . 4.20 rr_1ee7 1
29 2 . . . . . . . . 8.40 rr_1ee7 1
29 3 . . . . . . . . 8.40 rr_1ee7 1
30 2 . . . . . . . . 8.28 rr_1ee7 1
30 3 . . . . . . . . 8.28 rr_1ee7 1
30 4 . . . . . . . . 8.28 rr_1ee7 1
30 5 . . . . . . . . 8.28 rr_1ee7 1
31 2 . . . . . . . . 7.40 rr_1ee7 1
31 3 . . . . . . . . 7.40 rr_1ee7 1
32 2 . . . . . . . . 7.40 rr_1ee7 1
32 3 . . . . . . . . 7.40 rr_1ee7 1
33 1 . . . . . . . . 2.90 rr_1ee7 1
34 1 . . . . . . . . 3.20 rr_1ee7 1
35 1 . . . . . . . . 6.00 rr_1ee7 1
36 1 . . . . . . . . 6.00 rr_1ee7 1
37 1 . . . . . . . . 2.80 rr_1ee7 1
38 1 . . . . . . . . 5.90 rr_1ee7 1
39 1 . . . . . . . . 6.40 rr_1ee7 1
40 1 . . . . . . . . 4.20 rr_1ee7 1
41 1 . . . . . . . . 4.10 rr_1ee7 1
42 1 . . . . . . . . 4.30 rr_1ee7 1
43 1 . . . . . . . . 7.40 rr_1ee7 1
44 1 . . . . . . . . 4.30 rr_1ee7 1
45 1 . . . . . . . . 3.60 rr_1ee7 1
46 1 . . . . . . . . 4.40 rr_1ee7 1
47 1 . . . . . . . . 3.30 rr_1ee7 1
48 1 . . . . . . . . 5.20 rr_1ee7 1
49 2 . . . . . . . . 7.28 rr_1ee7 1
49 3 . . . . . . . . 7.28 rr_1ee7 1
50 1 . . . . . . . . 6.40 rr_1ee7 1
51 1 . . . . . . . . 5.00 rr_1ee7 1
52 1 . . . . . . . . 6.40 rr_1ee7 1
53 1 . . . . . . . . 7.40 rr_1ee7 1
54 1 . . . . . . . . 7.40 rr_1ee7 1
55 1 . . . . . . . . 7.40 rr_1ee7 1
56 1 . . . . . . . . 7.40 rr_1ee7 1
57 1 . . . . . . . . 2.70 rr_1ee7 1
58 1 . . . . . . . . 4.70 rr_1ee7 1
59 2 . . . . . . . . 4.42 rr_1ee7 1
59 3 . . . . . . . . 4.42 rr_1ee7 1
60 1 . . . . . . . . 2.60 rr_1ee7 1
61 1 . . . . . . . . 5.10 rr_1ee7 1
62 1 . . . . . . . . 3.60 rr_1ee7 1
63 1 . . . . . . . . 6.20 rr_1ee7 1
64 1 . . . . . . . . 5.00 rr_1ee7 1
65 1 . . . . . . . . 4.20 rr_1ee7 1
66 1 . . . . . . . . 3.40 rr_1ee7 1
67 1 . . . . . . . . 6.40 rr_1ee7 1
68 2 . . . . . . . . 5.68 rr_1ee7 1
68 3 . . . . . . . . 5.68 rr_1ee7 1
69 1 . . . . . . . . 2.90 rr_1ee7 1
70 1 . . . . . . . . 2.50 rr_1ee7 1
71 1 . . . . . . . . 2.80 rr_1ee7 1
72 1 . . . . . . . . 3.50 rr_1ee7 1
73 1 . . . . . . . . 3.70 rr_1ee7 1
74 1 . . . . . . . . 3.00 rr_1ee7 1
75 1 . . . . . . . . 4.90 rr_1ee7 1
76 1 . . . . . . . . 5.50 rr_1ee7 1
77 1 . . . . . . . . 6.00 rr_1ee7 1
78 1 . . . . . . . . 5.00 rr_1ee7 1
79 1 . . . . . . . . 3.00 rr_1ee7 1
80 1 . . . . . . . . 4.80 rr_1ee7 1
81 1 . . . . . . . . 3.20 rr_1ee7 1
82 1 . . . . . . . . 2.90 rr_1ee7 1
83 1 . . . . . . . . 3.00 rr_1ee7 1
84 1 . . . . . . . . 2.80 rr_1ee7 1
85 1 . . . . . . . . 5.90 rr_1ee7 1
86 1 . . . . . . . . 5.00 rr_1ee7 1
87 1 . . . . . . . . 6.40 rr_1ee7 1
88 1 . . . . . . . . 3.50 rr_1ee7 1
89 1 . . . . . . . . 5.90 rr_1ee7 1
90 1 . . . . . . . . 4.40 rr_1ee7 1
91 1 . . . . . . . . 6.40 rr_1ee7 1
92 1 . . . . . . . . 3.00 rr_1ee7 1
93 1 . . . . . . . . 2.80 rr_1ee7 1
94 1 . . . . . . . . 5.00 rr_1ee7 1
95 1 . . . . . . . . 6.40 rr_1ee7 1
96 1 . . . . . . . . 6.40 rr_1ee7 1
97 1 . . . . . . . . 5.00 rr_1ee7 1
98 1 . . . . . . . . 6.40 rr_1ee7 1
99 1 . . . . . . . . 7.40 rr_1ee7 1
100 1 . . . . . . . . 6.40 rr_1ee7 1
101 1 . . . . . . . . 4.40 rr_1ee7 1
102 1 . . . . . . . . 5.00 rr_1ee7 1
103 1 . . . . . . . . 5.10 rr_1ee7 1
104 1 . . . . . . . . 4.10 rr_1ee7 1
105 1 . . . . . . . . 6.20 rr_1ee7 1
106 1 . . . . . . . . 3.40 rr_1ee7 1
107 1 . . . . . . . . 5.70 rr_1ee7 1
108 1 . . . . . . . . 6.40 rr_1ee7 1
109 1 . . . . . . . . 5.00 rr_1ee7 1
110 1 . . . . . . . . 6.40 rr_1ee7 1
111 1 . . . . . . . . 4.40 rr_1ee7 1
112 1 . . . . . . . . 5.00 rr_1ee7 1
113 1 . . . . . . . . 3.00 rr_1ee7 1
114 2 . . . . . . . . 6.00 rr_1ee7 1
114 3 . . . . . . . . 6.00 rr_1ee7 1
115 1 . . . . . . . . 3.20 rr_1ee7 1
116 1 . . . . . . . . 6.30 rr_1ee7 1
117 1 . . . . . . . . 6.40 rr_1ee7 1
118 2 . . . . . . . . 6.14 rr_1ee7 1
118 3 . . . . . . . . 6.14 rr_1ee7 1
119 2 . . . . . . . . 7.40 rr_1ee7 1
119 3 . . . . . . . . 7.40 rr_1ee7 1
120 1 . . . . . . . . 3.70 rr_1ee7 1
121 2 . . . . . . . . 3.21 rr_1ee7 1
121 3 . . . . . . . . 3.21 rr_1ee7 1
122 2 . . . . . . . . 5.90 rr_1ee7 1
122 3 . . . . . . . . 5.90 rr_1ee7 1
123 2 . . . . . . . . 7.27 rr_1ee7 1
123 3 . . . . . . . . 7.27 rr_1ee7 1
124 1 . . . . . . . . 6.40 rr_1ee7 1
125 2 . . . . . . . . 7.40 rr_1ee7 1
125 3 . . . . . . . . 7.40 rr_1ee7 1
126 1 . . . . . . . . 5.00 rr_1ee7 1
127 1 . . . . . . . . 5.00 rr_1ee7 1
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1 "CHRYSOSPERMIN C" 1 1 1 17 rr_1ee7 1
2 "UPPER LIMITS DISTANCE CONSTRAINTS:" 2 1 2 36 rr_1ee7 1
stop_
loop_
_Dist_constraint_conv_err.ID
_Dist_constraint_conv_err.Dist_constraint_parse_file_ID
_Dist_constraint_conv_err.Parse_file_constraint_ID
_Dist_constraint_conv_err.Conv_error_type
_Dist_constraint_conv_err.Conv_error_note
_Dist_constraint_conv_err.Entry_ID
_Dist_constraint_conv_err.Distance_constraint_list_ID
1 2 1 1 "Not handling restraint 1, item 1, resonance(s) ' .1.QH3' (nmrStar names) not linked" rr_1ee7 1
2 2 2 1 "Not handling restraint 2, item 1, resonance(s) ' .1.QH3' (nmrStar names) not linked" rr_1ee7 1
3 2 3 1 "Not handling restraint 3, item 1, resonance(s) ' .1.QH3' (nmrStar names),' .2.HB3' (nmrStar names) not linked" rr_1ee7 1
4 2 4 1 "Not handling restraint 4, item 1, resonance(s) ' .1.QH3' (nmrStar names) not linked" rr_1ee7 1
5 2 5 1 "Not handling restraint 5, item 1, resonance(s) ' .1.QH3' (nmrStar names) not linked" rr_1ee7 1
6 2 6 1 "Not handling restraint 6, item 1, resonance(s) ' .1.QH3' (nmrStar names) not linked" rr_1ee7 1
7 2 7 1 "Not handling restraint 7, item 1, resonance(s) ' .1.QH3' (nmrStar names) not linked" rr_1ee7 1
8 2 8 1 "Not handling restraint 8, item 1, resonance(s) ' .1.QH3' (nmrStar names) not linked" rr_1ee7 1
9 2 10 1 "Not handling restraint 10, item 1, resonance(s) ' .2.HB3' (nmrStar names) not linked" rr_1ee7 1
10 2 12 1 "Not handling restraint 12, item 1, resonance(s) ' .3.QB1' (nmrStar names) not linked" rr_1ee7 1
11 2 13 1 "Not handling restraint 13, item 1, resonance(s) ' .3.QB2' (nmrStar names) not linked" rr_1ee7 1
12 2 16 1 "Not handling restraint 16, item 1, resonance(s) ' .5.QB1' (nmrStar names) not linked" rr_1ee7 1
13 2 19 1 "Not handling restraint 19, item 1, resonance(s) ' .3.QB2' (nmrStar names) not linked" rr_1ee7 1
14 2 22 1 "Not handling restraint 22, item 1, resonance(s) ' .5.QB1' (nmrStar names) not linked" rr_1ee7 1
15 2 23 1 "Not handling restraint 23, item 1, resonance(s) ' .5.QB2' (nmrStar names) not linked" rr_1ee7 1
16 2 24 1 "Not handling restraint 24, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" rr_1ee7 1
17 2 25 1 "Not handling restraint 25, item 1, resonance(s) ' .6.QB2' (nmrStar names) not linked" rr_1ee7 1
18 2 26 1 "Not handling restraint 26, item 1, resonance(s) ' .6.QG1' (nmrStar names) not linked" rr_1ee7 1
19 2 28 1 "Not handling restraint 28, item 1, resonance(s) ' .3.QB1' (nmrStar names) not linked" rr_1ee7 1
20 2 29 1 "Not handling restraint 29, item 1, resonance(s) ' .3.QB2' (nmrStar names) not linked" rr_1ee7 1
21 2 31 1 "Not handling restraint 31, item 1, resonance(s) ' .5.QB1' (nmrStar names) not linked" rr_1ee7 1
22 2 32 1 "Not handling restraint 32, item 1, resonance(s) ' .2.HB3' (nmrStar names) not linked" rr_1ee7 1
23 2 33 1 "Not handling restraint 33, item 1, resonance(s) ' .2.HB3' (nmrStar names),' .3.QB2' (nmrStar names) not linked" rr_1ee7 1
24 2 34 1 "Not handling restraint 34, item 1, resonance(s) ' .2.HB3' (nmrStar names) not linked" rr_1ee7 1
25 2 35 1 "Not handling restraint 35, item 1, resonance(s) ' .2.HB3' (nmrStar names),' .6.QB2' (nmrStar names) not linked" rr_1ee7 1
26 2 36 1 "Not handling restraint 36, item 1, resonance(s) ' .2.HB3' (nmrStar names),' .6.QG1' (nmrStar names) not linked" rr_1ee7 1
27 2 38 1 "Not handling restraint 38, item 1, resonance(s) ' .3.QB1' (nmrStar names) not linked" rr_1ee7 1
28 2 39 1 "Not handling restraint 39, item 1, resonance(s) ' .3.QB2' (nmrStar names) not linked" rr_1ee7 1
29 2 42 1 "Not handling restraint 42, item 1, resonance(s) ' .5.QB1' (nmrStar names) not linked" rr_1ee7 1
30 2 43 1 "Not handling restraint 43, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" rr_1ee7 1
31 2 44 1 "Not handling restraint 44, item 1, resonance(s) ' .6.QB2' (nmrStar names) not linked" rr_1ee7 1
32 2 45 1 "Not handling restraint 45, item 1, resonance(s) ' .6.QG1' (nmrStar names) not linked" rr_1ee7 1
33 2 46 1 "Not handling restraint 46, item 1, resonance(s) ' .3.QB1' (nmrStar names) not linked" rr_1ee7 1
34 2 47 1 "Not handling restraint 47, item 1, resonance(s) ' .3.QB2' (nmrStar names) not linked" rr_1ee7 1
35 2 48 1 "Not handling restraint 48, item 1, resonance(s) ' .5.QB1' (nmrStar names) not linked" rr_1ee7 1
36 2 49 1 "Not handling restraint 49, item 1, resonance(s) ' .6.QB2' (nmrStar names) not linked" rr_1ee7 1
37 2 50 1 "Not handling restraint 50, item 1, resonance(s) ' .6.QG1' (nmrStar names) not linked" rr_1ee7 1
38 2 51 1 "Not handling restraint 51, item 1, resonance(s) ' .3.QB2' (nmrStar names) not linked" rr_1ee7 1
39 2 52 1 "Not handling restraint 52, item 1, resonance(s) ' .6.QB2' (nmrStar names) not linked" rr_1ee7 1
40 2 53 1 "Not handling restraint 53, item 1, resonance(s) ' .6.QG1' (nmrStar names) not linked" rr_1ee7 1
41 2 54 1 "Not handling restraint 54, item 1, resonance(s) ' .3.QB1' (nmrStar names) not linked" rr_1ee7 1
42 2 59 1 "Not handling restraint 59, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" rr_1ee7 1
43 2 60 1 "Not handling restraint 60, item 1, resonance(s) ' .6.QB2' (nmrStar names) not linked" rr_1ee7 1
44 2 61 1 "Not handling restraint 61, item 1, resonance(s) ' .3.QB1' (nmrStar names) not linked" rr_1ee7 1
45 2 62 1 "Not handling restraint 62, item 1, resonance(s) ' .3.QB1' (nmrStar names) not linked" rr_1ee7 1
46 2 63 1 "Not handling restraint 63, item 1, resonance(s) ' .3.QB1' (nmrStar names) not linked" rr_1ee7 1
47 2 63 1 "Not handling restraint 63, item 1, resonance(s) ' .3.QB1' (nmrStar names) not linked" rr_1ee7 1
48 2 64 1 "Not handling restraint 64, item 1, resonance(s) ' .3.QB1' (nmrStar names) not linked" rr_1ee7 1
49 2 65 1 "Not handling restraint 65, item 1, resonance(s) ' .3.QB1' (nmrStar names) not linked" rr_1ee7 1
50 2 66 1 "Not handling restraint 66, item 1, resonance(s) ' .3.QB1' (nmrStar names) not linked" rr_1ee7 1
51 2 67 1 "Not handling restraint 67, item 1, resonance(s) ' .3.QB2' (nmrStar names) not linked" rr_1ee7 1
52 2 68 1 "Not handling restraint 68, item 1, resonance(s) ' .3.QB2' (nmrStar names) not linked" rr_1ee7 1
53 2 68 1 "Not handling restraint 68, item 1, resonance(s) ' .3.QB2' (nmrStar names) not linked" rr_1ee7 1
54 2 69 1 "Not handling restraint 69, item 1, resonance(s) ' .3.QB2' (nmrStar names) not linked" rr_1ee7 1
55 2 70 1 "Not handling restraint 70, item 1, resonance(s) ' .3.QB2' (nmrStar names),' .6.HN' (nmrStar names) not linked" rr_1ee7 1
56 2 71 1 "Not handling restraint 71, item 1, resonance(s) ' .3.QB2' (nmrStar names),' .6.QB2' (nmrStar names) not linked" rr_1ee7 1
57 2 72 1 "Not handling restraint 72, item 1, resonance(s) ' .3.QB2' (nmrStar names),' .6.QG1' (nmrStar names) not linked" rr_1ee7 1
58 2 73 1 "Not handling restraint 73, item 1, resonance(s) ' .3.QB2' (nmrStar names) not linked" rr_1ee7 1
59 2 74 1 "Not handling restraint 74, item 1, resonance(s) ' .3.QB2' (nmrStar names) not linked" rr_1ee7 1
60 2 75 1 "Not handling restraint 75, item 1, resonance(s) ' .3.QB2' (nmrStar names) not linked" rr_1ee7 1
61 2 76 1 "Not handling restraint 76, item 1, resonance(s) ' .3.QB2' (nmrStar names) not linked" rr_1ee7 1
62 2 77 1 "Not handling restraint 77, item 1, resonance(s) ' .3.QB2' (nmrStar names) not linked" rr_1ee7 1
63 2 81 1 "Not handling restraint 81, item 1, resonance(s) ' .5.QB2' (nmrStar names) not linked" rr_1ee7 1
64 2 82 1 "Not handling restraint 82, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" rr_1ee7 1
65 2 83 1 "Not handling restraint 83, item 1, resonance(s) ' .6.QB2' (nmrStar names) not linked" rr_1ee7 1
66 2 87 1 "Not handling restraint 87, item 1, resonance(s) ' .5.QB1' (nmrStar names) not linked" rr_1ee7 1
67 2 88 1 "Not handling restraint 88, item 1, resonance(s) ' .5.QB2' (nmrStar names) not linked" rr_1ee7 1
68 2 89 1 "Not handling restraint 89, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" rr_1ee7 1
69 2 90 1 "Not handling restraint 90, item 1, resonance(s) ' .6.QB2' (nmrStar names) not linked" rr_1ee7 1
70 2 93 1 "Not handling restraint 93, item 1, resonance(s) ' .7.HB3' (nmrStar names) not linked" rr_1ee7 1
71 2 97 1 "Not handling restraint 97, item 1, resonance(s) ' .5.QB1' (nmrStar names) not linked" rr_1ee7 1
72 2 97 1 "Not handling restraint 97, item 1, resonance(s) ' .5.QB1' (nmrStar names) not linked" rr_1ee7 1
73 2 98 1 "Not handling restraint 98, item 1, resonance(s) ' .5.QB2' (nmrStar names) not linked" rr_1ee7 1
74 2 98 1 "Not handling restraint 98, item 1, resonance(s) ' .5.QB2' (nmrStar names) not linked" rr_1ee7 1
75 2 99 1 "Not handling restraint 99, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" rr_1ee7 1
76 2 99 1 "Not handling restraint 99, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" rr_1ee7 1
77 2 100 1 "Not handling restraint 100, item 1, resonance(s) ' .6.QB2' (nmrStar names) not linked" rr_1ee7 1
78 2 100 1 "Not handling restraint 100, item 1, resonance(s) ' .6.QB2' (nmrStar names) not linked" rr_1ee7 1
79 2 105 1 "Not handling restraint 105, item 1, resonance(s) ' .5.QB1' (nmrStar names) not linked" rr_1ee7 1
80 2 106 1 "Not handling restraint 106, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" rr_1ee7 1
81 2 107 1 "Not handling restraint 107, item 1, resonance(s) ' .6.QB2' (nmrStar names) not linked" rr_1ee7 1
82 2 108 1 "Not handling restraint 108, item 1, resonance(s) ' .6.QG1' (nmrStar names) not linked" rr_1ee7 1
83 2 109 1 "Not handling restraint 109, item 1, resonance(s) ' .5.QB1' (nmrStar names),' .6.HN' (nmrStar names) not linked" rr_1ee7 1
84 2 110 1 "Not handling restraint 110, item 1, resonance(s) ' .5.QB1' (nmrStar names),' .6.QG1' (nmrStar names) not linked" rr_1ee7 1
85 2 111 1 "Not handling restraint 111, item 1, resonance(s) ' .5.QB2' (nmrStar names),' .6.HB12' (nmrStar names) not linked" rr_1ee7 1
86 2 112 1 "Not handling restraint 112, item 1, resonance(s) ' .5.QB2' (nmrStar names),' .6.QG1' (nmrStar names) not linked" rr_1ee7 1
87 2 113 1 "Not handling restraint 113, item 1, resonance(s) ' .5.QB2' (nmrStar names) not linked" rr_1ee7 1
88 2 114 1 "Not handling restraint 114, item 1, resonance(s) ' .5.QB2' (nmrStar names),' .8.HB3' (nmrStar names) not linked" rr_1ee7 1
89 2 115 1 "Not handling restraint 115, item 1, resonance(s) ' .5.QB2' (nmrStar names) not linked" rr_1ee7 1
90 2 116 1 "Not handling restraint 116, item 1, resonance(s) ' .5.QB2' (nmrStar names),' .8.HG3' (nmrStar names) not linked" rr_1ee7 1
91 2 117 1 "Not handling restraint 117, item 1, resonance(s) ' .5.QB2' (nmrStar names) not linked" rr_1ee7 1
92 2 117 1 "Not handling restraint 117, item 1, resonance(s) ' .5.QB2' (nmrStar names) not linked" rr_1ee7 1
93 2 118 1 "Not handling restraint 118, item 1, resonance(s) ' .5.QB2' (nmrStar names) not linked" rr_1ee7 1
94 2 119 1 "Not handling restraint 119, item 1, resonance(s) ' .5.QB2' (nmrStar names) not linked" rr_1ee7 1
95 2 120 1 "Not handling restraint 120, item 1, resonance(s) ' .5.QB2' (nmrStar names) not linked" rr_1ee7 1
96 2 121 1 "Not handling restraint 121, item 1, resonance(s) ' .6.HN' (nmrStar names),' .6.QB2' (nmrStar names) not linked" rr_1ee7 1
97 2 122 1 "Not handling restraint 122, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" rr_1ee7 1
98 2 123 1 "Not handling restraint 123, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" rr_1ee7 1
99 2 124 1 "Not handling restraint 124, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" rr_1ee7 1
100 2 125 1 "Not handling restraint 125, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" rr_1ee7 1
101 2 126 1 "Not handling restraint 126, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" rr_1ee7 1
102 2 127 1 "Not handling restraint 127, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" rr_1ee7 1
103 2 128 1 "Not handling restraint 128, item 1, resonance(s) ' .6.QB2' (nmrStar names),' .6.HB13' (nmrStar names) not linked" rr_1ee7 1
104 2 129 1 "Not handling restraint 129, item 1, resonance(s) ' .6.QB2' (nmrStar names),' .6.QG1' (nmrStar names) not linked" rr_1ee7 1
105 2 130 1 "Not handling restraint 130, item 1, resonance(s) ' .6.QB2' (nmrStar names) not linked" rr_1ee7 1
106 2 131 1 "Not handling restraint 131, item 1, resonance(s) ' .6.QB2' (nmrStar names) not linked" rr_1ee7 1
107 2 132 1 "Not handling restraint 132, item 1, resonance(s) ' .6.QB2' (nmrStar names) not linked" rr_1ee7 1
108 2 133 1 "Not handling restraint 133, item 1, resonance(s) ' .6.QB2' (nmrStar names),' .7.HB3' (nmrStar names) not linked" rr_1ee7 1
109 2 134 1 "Not handling restraint 134, item 1, resonance(s) ' .6.QB2' (nmrStar names) not linked" rr_1ee7 1
110 2 135 1 "Not handling restraint 135, item 1, resonance(s) ' .6.QB2' (nmrStar names) not linked" rr_1ee7 1
111 2 136 1 "Not handling restraint 136, item 1, resonance(s) ' .6.QB2' (nmrStar names) not linked" rr_1ee7 1
112 2 137 1 "Not handling restraint 137, item 1, resonance(s) ' .6.QB2' (nmrStar names) not linked" rr_1ee7 1
113 2 138 1 "Not handling restraint 138, item 1, resonance(s) ' .6.HB12' (nmrStar names) not linked" rr_1ee7 1
114 2 139 1 "Not handling restraint 139, item 1, resonance(s) ' .6.HB12' (nmrStar names) not linked" rr_1ee7 1
115 2 140 1 "Not handling restraint 140, item 1, resonance(s) ' .6.HB12' (nmrStar names) not linked" rr_1ee7 1
116 2 141 1 "Not handling restraint 141, item 1, resonance(s) ' .6.HB12' (nmrStar names) not linked" rr_1ee7 1
117 2 142 1 "Not handling restraint 142, item 1, resonance(s) ' .6.HB12' (nmrStar names) not linked" rr_1ee7 1
118 2 143 1 "Not handling restraint 143, item 1, resonance(s) ' .6.HB13' (nmrStar names) not linked" rr_1ee7 1
119 2 144 1 "Not handling restraint 144, item 1, resonance(s) ' .6.HB13' (nmrStar names) not linked" rr_1ee7 1
120 2 145 1 "Not handling restraint 145, item 1, resonance(s) ' .6.HB13' (nmrStar names) not linked" rr_1ee7 1
121 2 146 1 "Not handling restraint 146, item 1, resonance(s) ' .6.QG1' (nmrStar names) not linked" rr_1ee7 1
122 2 147 1 "Not handling restraint 147, item 1, resonance(s) ' .6.QG1' (nmrStar names) not linked" rr_1ee7 1
123 2 148 1 "Not handling restraint 148, item 1, resonance(s) ' .6.QG1' (nmrStar names) not linked" rr_1ee7 1
124 2 149 1 "Not handling restraint 149, item 1, resonance(s) ' .6.QG1' (nmrStar names) not linked" rr_1ee7 1
125 2 150 1 "Not handling restraint 150, item 1, resonance(s) ' .6.QG1' (nmrStar names) not linked" rr_1ee7 1
126 2 151 1 "Not handling restraint 151, item 1, resonance(s) ' .6.QG1' (nmrStar names),' .10.QB1' (nmrStar names) not linked" rr_1ee7 1
127 2 152 1 "Not handling restraint 152, item 1, resonance(s) ' .6.QG1' (nmrStar names),' .10.QB2' (nmrStar names) not linked" rr_1ee7 1
128 2 155 1 "Not handling restraint 155, item 1, resonance(s) ' .7.HB3' (nmrStar names) not linked" rr_1ee7 1
129 2 160 1 "Not handling restraint 160, item 1, resonance(s) ' .8.HB3' (nmrStar names) not linked" rr_1ee7 1
130 2 162 1 "Not handling restraint 162, item 1, resonance(s) ' .8.HG3' (nmrStar names) not linked" rr_1ee7 1
131 2 164 1 "Not handling restraint 164, item 1, resonance(s) ' .7.HB3' (nmrStar names) not linked" rr_1ee7 1
132 2 170 1 "Not handling restraint 170, item 1, resonance(s) ' .10.QB1' (nmrStar names) not linked" rr_1ee7 1
133 2 171 1 "Not handling restraint 171, item 1, resonance(s) ' .10.QB2' (nmrStar names) not linked" rr_1ee7 1
134 2 177 1 "Not handling restraint 177, item 1, resonance(s) ' .7.HB3' (nmrStar names) not linked" rr_1ee7 1
135 2 178 1 "Not handling restraint 178, item 1, resonance(s) ' .7.HB3' (nmrStar names) not linked" rr_1ee7 1
136 2 179 1 "Not handling restraint 179, item 1, resonance(s) ' .7.HB3' (nmrStar names) not linked" rr_1ee7 1
137 2 180 1 "Not handling restraint 180, item 1, resonance(s) ' .7.HB3' (nmrStar names) not linked" rr_1ee7 1
138 2 183 1 "Not handling restraint 183, item 1, resonance(s) ' .10.QB1' (nmrStar names) not linked" rr_1ee7 1
139 2 186 1 "Not handling restraint 186, item 1, resonance(s) ' .10.QB1' (nmrStar names) not linked" rr_1ee7 1
140 2 187 1 "Not handling restraint 187, item 1, resonance(s) ' .10.QB2' (nmrStar names) not linked" rr_1ee7 1
141 2 189 1 "Not handling restraint 189, item 1, resonance(s) ' .11.QB1' (nmrStar names) not linked" rr_1ee7 1
142 2 191 1 "Not handling restraint 191, item 1, resonance(s) ' .10.QB1' (nmrStar names) not linked" rr_1ee7 1
143 2 194 1 "Not handling restraint 194, item 1, resonance(s) ' .8.HG3' (nmrStar names) not linked" rr_1ee7 1
144 2 198 1 "Not handling restraint 198, item 1, resonance(s) ' .8.HB3' (nmrStar names) not linked" rr_1ee7 1
145 2 204 1 "Not handling restraint 204, item 1, resonance(s) ' .8.HB3' (nmrStar names) not linked" rr_1ee7 1
146 2 206 1 "Not handling restraint 206, item 1, resonance(s) ' .8.HG3' (nmrStar names) not linked" rr_1ee7 1
147 2 211 1 "Not handling restraint 211, item 1, resonance(s) ' .10.QB1' (nmrStar names) not linked" rr_1ee7 1
148 2 215 1 "Not handling restraint 215, item 1, resonance(s) ' .10.QB2' (nmrStar names) not linked" rr_1ee7 1
149 2 220 1 "Not handling restraint 220, item 1, resonance(s) ' .10.QB1' (nmrStar names) not linked" rr_1ee7 1
150 2 223 1 "Not handling restraint 223, item 1, resonance(s) ' .10.QB1' (nmrStar names) not linked" rr_1ee7 1
151 2 224 1 "Not handling restraint 224, item 1, resonance(s) ' .10.QB2' (nmrStar names) not linked" rr_1ee7 1
152 2 225 1 "Not handling restraint 225, item 1, resonance(s) ' .10.O1' (nmrStar names) not linked" rr_1ee7 1
153 2 226 1 "Not handling restraint 226, item 1, resonance(s) ' .11.QB1' (nmrStar names) not linked" rr_1ee7 1
154 2 228 1 "Not handling restraint 228, item 1, resonance(s) ' .11.QB2' (nmrStar names) not linked" rr_1ee7 1
155 2 238 1 "Not handling restraint 238, item 1, resonance(s) ' .15.HG3' (nmrStar names) not linked" rr_1ee7 1
156 2 240 1 "Not handling restraint 240, item 1, resonance(s) ' .15.HD3' (nmrStar names) not linked" rr_1ee7 1
157 2 246 1 "Not handling restraint 246, item 1, resonance(s) ' .15.HD3' (nmrStar names) not linked" rr_1ee7 1
158 2 250 1 "Not handling restraint 250, item 1, resonance(s) ' .14.QB1' (nmrStar names) not linked" rr_1ee7 1
159 2 252 1 "Not handling restraint 252, item 1, resonance(s) ' .15.HG3' (nmrStar names) not linked" rr_1ee7 1
160 2 254 1 "Not handling restraint 254, item 1, resonance(s) ' .15.HD3' (nmrStar names) not linked" rr_1ee7 1
161 2 257 1 "Not handling restraint 257, item 1, resonance(s) ' .15.HD3' (nmrStar names),' .14.QB1' (nmrStar names) not linked" rr_1ee7 1
162 2 263 1 "Not handling restraint 263, item 1, resonance(s) ' .15.HB3' (nmrStar names) not linked" rr_1ee7 1
163 2 268 1 "Not handling restraint 268, item 1, resonance(s) ' .15.HD3' (nmrStar names) not linked" rr_1ee7 1
164 2 269 1 "Not handling restraint 269, item 1, resonance(s) ' .15.HD3' (nmrStar names) not linked" rr_1ee7 1
165 2 270 1 "Not handling restraint 270, item 1, resonance(s) ' .16.QB1' (nmrStar names) not linked" rr_1ee7 1
166 2 271 1 "Not handling restraint 271, item 1, resonance(s) ' .16.QB1' (nmrStar names) not linked" rr_1ee7 1
167 2 272 1 "Not handling restraint 272, item 1, resonance(s) ' .16.QB1' (nmrStar names) not linked" rr_1ee7 1
168 2 273 1 "Not handling restraint 273, item 1, resonance(s) ' .16.QB1' (nmrStar names) not linked" rr_1ee7 1
169 2 273 1 "Not handling restraint 273, item 1, resonance(s) ' .16.QB1' (nmrStar names) not linked" rr_1ee7 1
170 2 274 1 "Not handling restraint 274, item 1, resonance(s) ' .16.QB1' (nmrStar names) not linked" rr_1ee7 1
171 2 274 1 "Not handling restraint 274, item 1, resonance(s) ' .16.QB1' (nmrStar names) not linked" rr_1ee7 1
172 2 275 1 "Not handling restraint 275, item 1, resonance(s) ' .16.QB1' (nmrStar names),' .20.HN' (nmrStar names) not linked" rr_1ee7 1
173 2 276 1 "Not handling restraint 276, item 1, resonance(s) ' .16.QB1' (nmrStar names) not linked" rr_1ee7 1
174 2 277 1 "Not handling restraint 277, item 1, resonance(s) ' .16.QB1' (nmrStar names) not linked" rr_1ee7 1
175 2 278 1 "Not handling restraint 278, item 1, resonance(s) ' .16.QB2' (nmrStar names) not linked" rr_1ee7 1
176 2 279 1 "Not handling restraint 279, item 1, resonance(s) ' .16.QB2' (nmrStar names) not linked" rr_1ee7 1
177 2 279 1 "Not handling restraint 279, item 1, resonance(s) ' .16.QB2' (nmrStar names) not linked" rr_1ee7 1
178 2 280 1 "Not handling restraint 280, item 1, resonance(s) ' .16.QB2' (nmrStar names) not linked" rr_1ee7 1
179 2 281 1 "Not handling restraint 281, item 1, resonance(s) ' .16.QB2' (nmrStar names) not linked" rr_1ee7 1
180 2 282 1 "Not handling restraint 282, item 1, resonance(s) ' .16.QB2' (nmrStar names) not linked" rr_1ee7 1
181 2 282 1 "Not handling restraint 282, item 1, resonance(s) ' .16.QB2' (nmrStar names) not linked" rr_1ee7 1
182 2 283 1 "Not handling restraint 283, item 1, resonance(s) ' .20.HN' (nmrStar names),' .16.QB2' (nmrStar names) not linked" rr_1ee7 1
183 2 284 1 "Not handling restraint 284, item 1, resonance(s) ' .16.QB2' (nmrStar names) not linked" rr_1ee7 1
184 2 285 1 "Not handling restraint 285, item 1, resonance(s) ' .16.QB2' (nmrStar names) not linked" rr_1ee7 1
185 2 286 1 "Not handling restraint 286, item 1, resonance(s) ' .17.QB1' (nmrStar names) not linked" rr_1ee7 1
186 2 288 1 "Not handling restraint 288, item 1, resonance(s) ' .18.QB1' (nmrStar names) not linked" rr_1ee7 1
187 2 289 1 "Not handling restraint 289, item 1, resonance(s) ' .18.QB2' (nmrStar names) not linked" rr_1ee7 1
188 2 291 1 "Not handling restraint 291, item 1, resonance(s) ' .17.QB1' (nmrStar names) not linked" rr_1ee7 1
189 2 292 1 "Not handling restraint 292, item 1, resonance(s) ' .17.QB1' (nmrStar names),' .20.HB12' (nmrStar names) not linked" rr_1ee7 1
190 2 293 1 "Not handling restraint 293, item 1, resonance(s) ' .17.QB1' (nmrStar names),' .20.HB13' (nmrStar names) not linked" rr_1ee7 1
191 2 294 1 "Not handling restraint 294, item 1, resonance(s) ' .17.QB1' (nmrStar names) not linked" rr_1ee7 1
192 2 295 1 "Not handling restraint 295, item 1, resonance(s) ' .17.QB2' (nmrStar names) not linked" rr_1ee7 1
193 2 296 1 "Not handling restraint 296, item 1, resonance(s) ' .17.QB2' (nmrStar names) not linked" rr_1ee7 1
194 2 296 1 "Not handling restraint 296, item 1, resonance(s) ' .17.QB2' (nmrStar names) not linked" rr_1ee7 1
195 2 297 1 "Not handling restraint 297, item 1, resonance(s) ' .20.HN' (nmrStar names),' .17.QB2' (nmrStar names) not linked" rr_1ee7 1
196 2 298 1 "Not handling restraint 298, item 1, resonance(s) ' .17.QB2' (nmrStar names) not linked" rr_1ee7 1
197 2 299 1 "Not handling restraint 299, item 1, resonance(s) ' .20.HB12' (nmrStar names),' .17.QB2' (nmrStar names) not linked" rr_1ee7 1
198 2 300 1 "Not handling restraint 300, item 1, resonance(s) ' .20.HB13' (nmrStar names),' .17.QB2' (nmrStar names) not linked" rr_1ee7 1
199 2 301 1 "Not handling restraint 301, item 1, resonance(s) ' .17.QB2' (nmrStar names) not linked" rr_1ee7 1
200 2 302 1 "Not handling restraint 302, item 1, resonance(s) ' .17.QB2' (nmrStar names) not linked" rr_1ee7 1
201 2 303 1 "Not handling restraint 303, item 1, resonance(s) ' .17.QB2' (nmrStar names) not linked" rr_1ee7 1
202 2 304 1 "Not handling restraint 304, item 1, resonance(s) ' .17.QB2' (nmrStar names) not linked" rr_1ee7 1
203 2 305 1 "Not handling restraint 305, item 1, resonance(s) ' .17.QB2' (nmrStar names),' .20.QB2' (nmrStar names) not linked" rr_1ee7 1
204 2 306 1 "Not handling restraint 306, item 1, resonance(s) ' .18.QB1' (nmrStar names) not linked" rr_1ee7 1
205 2 310 1 "Not handling restraint 310, item 1, resonance(s) ' .19.HB3' (nmrStar names) not linked" rr_1ee7 1
206 2 313 1 "Not handling restraint 313, item 1, resonance(s) ' .20.HN' (nmrStar names) not linked" rr_1ee7 1
207 2 314 1 "Not handling restraint 314, item 1, resonance(s) ' .18.QB1' (nmrStar names) not linked" rr_1ee7 1
208 2 314 1 "Not handling restraint 314, item 1, resonance(s) ' .18.QB1' (nmrStar names) not linked" rr_1ee7 1
209 2 315 1 "Not handling restraint 315, item 1, resonance(s) ' .18.QB2' (nmrStar names) not linked" rr_1ee7 1
210 2 316 1 "Not handling restraint 316, item 1, resonance(s) ' .18.QB2' (nmrStar names) not linked" rr_1ee7 1
211 2 317 1 "Not handling restraint 317, item 1, resonance(s) ' .20.HN' (nmrStar names),' .18.QB2' (nmrStar names) not linked" rr_1ee7 1
212 2 318 1 "Not handling restraint 318, item 1, resonance(s) ' .18.QB2' (nmrStar names),' .20.QB1' (nmrStar names) not linked" rr_1ee7 1
213 2 319 1 "Not handling restraint 319, item 1, resonance(s) ' .18.QB2' (nmrStar names),' .20.QB2' (nmrStar names) not linked" rr_1ee7 1
214 2 321 1 "Not handling restraint 321, item 1, resonance(s) ' .19.HB3' (nmrStar names) not linked" rr_1ee7 1
215 2 325 1 "Not handling restraint 325, item 1, resonance(s) ' .20.HN' (nmrStar names) not linked" rr_1ee7 1
216 2 326 1 "Not handling restraint 326, item 1, resonance(s) ' .20.QB1' (nmrStar names) not linked" rr_1ee7 1
217 2 327 1 "Not handling restraint 327, item 1, resonance(s) ' .20.QB2' (nmrStar names) not linked" rr_1ee7 1
218 2 328 1 "Not handling restraint 328, item 1, resonance(s) ' .20.HN' (nmrStar names) not linked" rr_1ee7 1
219 2 329 1 "Not handling restraint 329, item 1, resonance(s) ' .20.QB2' (nmrStar names) not linked" rr_1ee7 1
220 2 330 1 "Not handling restraint 330, item 1, resonance(s) ' .20.HN' (nmrStar names) not linked" rr_1ee7 1
221 2 332 1 "Not handling restraint 332, item 1, resonance(s) ' .20.HN' (nmrStar names),' .19.HB3' (nmrStar names) not linked" rr_1ee7 1
222 2 333 1 "Not handling restraint 333, item 1, resonance(s) ' .19.HB3' (nmrStar names) not linked" rr_1ee7 1
223 2 334 1 "Not handling restraint 334, item 1, resonance(s) ' .20.HN' (nmrStar names) not linked" rr_1ee7 1
224 2 334 1 "Not handling restraint 334, item 1, resonance(s) ' .20.HN' (nmrStar names) not linked" rr_1ee7 1
225 2 336 1 "Not handling restraint 336, item 1, resonance(s) ' .20.HN' (nmrStar names) not linked" rr_1ee7 1
226 2 339 1 "Not handling restraint 339, item 1, resonance(s) ' .20.QB2' (nmrStar names) not linked" rr_1ee7 1
stop_
save_
save_DYANA/DIANA_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Sf_framecode DYANA/DIANA_dihedral_3
_Torsion_angle_constraint_list.Entry_ID rr_1ee7
_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_1ee7 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 PHI . 1 1 1 1 ACE C C . . 1 1 2 2 PHE N N . . 1 1 2 2 PHE CA C . . 1 1 2 2 PHE C C . -205.0 -45.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1ee7 1
2 PHI . 1 1 1 1 ACE C C . . 1 1 2 2 PHE N N . . 1 1 2 2 PHE CA C . . 1 1 2 2 PHE C C . -75.0 195.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1ee7 1
3 PSI . 1 1 2 2 PHE N N . . 1 1 2 2 PHE CA C . . 1 1 2 2 PHE C C . . 1 1 3 3 ABA N N . -335.0 -5.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1ee7 1
4 PSI . 1 1 2 2 PHE N N . . 1 1 2 2 PHE CA C . . 1 1 2 2 PHE C C . . 1 1 3 3 ABA N N . -75.0 85.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1ee7 1
5 PHI . 1 1 3 3 ABA C C . . 1 1 4 4 SER N N . . 1 1 4 4 SER CA C . . 1 1 4 4 SER C C . -85.0 -65.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1ee7 1
6 PSI . 1 1 4 4 SER N N . . 1 1 4 4 SER CA C . . 1 1 4 4 SER C C . . 1 1 5 5 ABA N N . -15.0 5.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1ee7 1
7 CHI1 . 1 1 7 7 LEU N N . . 1 1 7 7 LEU CA C . . 1 1 7 7 LEU CB C . . 1 1 7 7 LEU CG C . -135.0 -105.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1ee7 1
8 CHI2 . 1 1 7 7 LEU CA C . . 1 1 7 7 LEU CB C . . 1 1 7 7 LEU CG C . . 1 1 7 7 LEU CD1 C . -335.0 -25.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1ee7 1
9 CHI2 . 1 1 7 7 LEU CA C . . 1 1 7 7 LEU CB C . . 1 1 7 7 LEU CG C . . 1 1 7 7 LEU CD1 C . -65.0 85.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1ee7 1
10 PSI . 1 1 7 7 LEU N N . . 1 1 7 7 LEU CA C . . 1 1 7 7 LEU C C . . 1 1 8 8 GLN N N . -55.0 -35.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1ee7 1
11 PHI . 1 1 7 7 LEU C C . . 1 1 8 8 GLN N N . . 1 1 8 8 GLN CA C . . 1 1 8 8 GLN C C . -75.0 -55.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1ee7 1
12 CHI1 . 1 1 8 8 GLN N N . . 1 1 8 8 GLN CA C . . 1 1 8 8 GLN CB C . . 1 1 8 8 GLN CG C . -105.0 -95.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1ee7 1
13 CHI2 . 1 1 8 8 GLN CA C . . 1 1 8 8 GLN CB C . . 1 1 8 8 GLN CG C . . 1 1 8 8 GLN CD C . -165.0 -55.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1ee7 1
14 PSI . 1 1 8 8 GLN N N . . 1 1 8 8 GLN CA C . . 1 1 8 8 GLN C C . . 1 1 9 9 GLY N N . -35.0 -25.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1ee7 1
15 PHI . 1 1 8 8 GLN C C . . 1 1 9 9 GLY N N . . 1 1 9 9 GLY CA C . . 1 1 9 9 GLY C C . -95.0 -75.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1ee7 1
16 PSI . 1 1 9 9 GLY N N . . 1 1 9 9 GLY CA C . . 1 1 9 9 GLY C C . . 1 1 10 10 ABA N N . -55.0 -25.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1ee7 1
17 PHI . 1 1 11 11 ABA C C . . 1 1 12 12 ALA N N . . 1 1 12 12 ALA CA C . . 1 1 12 12 ALA C C . -85.0 -75.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1ee7 1
18 PSI . 1 1 12 12 ALA N N . . 1 1 12 12 ALA CA C . . 1 1 12 12 ALA C C . . 1 1 13 13 ALA N N . -15.0 5.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1ee7 1
19 PHI . 1 1 12 12 ALA C C . . 1 1 13 13 ALA N N . . 1 1 13 13 ALA CA C . . 1 1 13 13 ALA C C . -115.0 -95.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1ee7 1
20 PSI . 1 1 13 13 ALA N N . . 1 1 13 13 ALA CA C . . 1 1 13 13 ALA C C . . 1 1 14 14 ABA N N . -35.0 5.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1ee7 1
21 PSI . 1 1 15 15 PRO N N . . 1 1 15 15 PRO CA C . . 1 1 15 15 PRO C C . . 1 1 16 16 ABA N N . -85.0 -25.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1ee7 1
22 PHI . 1 1 18 18 ABA C C . . 1 1 19 19 GLN N N . . 1 1 19 19 GLN CA C . . 1 1 19 19 GLN C C . -285.0 -45.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1ee7 1
23 PHI . 1 1 18 18 ABA C C . . 1 1 19 19 GLN N N . . 1 1 19 19 GLN CA C . . 1 1 19 19 GLN C C . -205.0 95.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1ee7 1
24 PHI . 1 1 18 18 ABA C C . . 1 1 19 19 GLN N N . . 1 1 19 19 GLN CA C . . 1 1 19 19 GLN C C . -75.0 205.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1ee7 1
25 PSI . 1 1 19 19 GLN N N . . 1 1 19 19 GLN CA C . . 1 1 19 19 GLN C C . . 1 1 20 20 TPL N N . -75.0 75.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rr_1ee7 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1 "TORSION ANGLE CONSTRAINTS:" 1 1 1 28 rr_1ee7 1
stop_
loop_
_TA_constraint_conv_err.ID
_TA_constraint_conv_err.Parse_file_ID
_TA_constraint_conv_err.Parse_file_constraint_ID
_TA_constraint_conv_err.Conv_error_type
_TA_constraint_conv_err.Conv_error_note
_TA_constraint_conv_err.Entry_ID
_TA_constraint_conv_err.Torsion_angle_constraint_list_ID
1 3 5 1 "Not handling dihedral restraint (original ID 5) - duplicate resonances" rr_1ee7 1
2 3 5 1 "Not handling dihedral restraint (original ID 5) - duplicate resonances" rr_1ee7 1
3 3 5 1 "Not handling dihedral restraint (original ID 5) - duplicate resonances" rr_1ee7 1
4 3 6 1 "Not handling dihedral restraint (original ID 6) - duplicate resonances" rr_1ee7 1
5 3 6 1 "Not handling dihedral restraint (original ID 6) - duplicate resonances" rr_1ee7 1
6 3 6 1 "Not handling dihedral restraint (original ID 6) - duplicate resonances" rr_1ee7 1
7 3 9 1 "Not handling dihedral restraint (original ID 9) - duplicate resonances" rr_1ee7 1
8 3 9 1 "Not handling dihedral restraint (original ID 9) - duplicate resonances" rr_1ee7 1
9 3 9 1 "Not handling dihedral restraint (original ID 9) - duplicate resonances" rr_1ee7 1
10 3 10 1 "Not handling dihedral restraint (original ID 10) - duplicate resonances" rr_1ee7 1
11 3 10 1 "Not handling dihedral restraint (original ID 10) - duplicate resonances" rr_1ee7 1
12 3 10 1 "Not handling dihedral restraint (original ID 10) - duplicate resonances" rr_1ee7 1
13 3 11 1 "Not handling dihedral restraint (original ID 11) - duplicate resonances" rr_1ee7 1
14 3 11 1 "Not handling dihedral restraint (original ID 11) - duplicate resonances" rr_1ee7 1
15 3 11 1 "Not handling dihedral restraint (original ID 11) - duplicate resonances" rr_1ee7 1
16 3 12 1 "Not handling dihedral restraint (original ID 12) - duplicate resonances" rr_1ee7 1
17 3 12 1 "Not handling dihedral restraint (original ID 12) - duplicate resonances" rr_1ee7 1
18 3 12 1 "Not handling dihedral restraint (original ID 12) - duplicate resonances" rr_1ee7 1
19 3 13 1 "Not handling restraint 13, resonance(s) ' .6.C' (nmrStar names) not linked" rr_1ee7 1
20 3 24 1 "Not handling dihedral restraint (original ID 24) - duplicate resonances" rr_1ee7 1
21 3 24 1 "Not handling dihedral restraint (original ID 24) - duplicate resonances" rr_1ee7 1
22 3 24 1 "Not handling dihedral restraint (original ID 24) - duplicate resonances" rr_1ee7 1
23 3 25 1 "Not handling dihedral restraint (original ID 25) - duplicate resonances" rr_1ee7 1
24 3 25 1 "Not handling dihedral restraint (original ID 25) - duplicate resonances" rr_1ee7 1
25 3 25 1 "Not handling dihedral restraint (original ID 25) - duplicate resonances" rr_1ee7 1
26 3 26 1 "Not handling dihedral restraint (original ID 26) - duplicate resonances" rr_1ee7 1
27 3 26 1 "Not handling dihedral restraint (original ID 26) - duplicate resonances" rr_1ee7 1
28 3 26 1 "Not handling dihedral restraint (original ID 26) - duplicate resonances" rr_1ee7 1
29 3 27 1 "Not handling dihedral restraint (original ID 27) - duplicate resonances" rr_1ee7 1
30 3 27 1 "Not handling dihedral restraint (original ID 27) - duplicate resonances" rr_1ee7 1
31 3 27 1 "Not handling dihedral restraint (original ID 27) - duplicate resonances" rr_1ee7 1
32 3 32 1 "Not handling dihedral restraint (original ID 32) - duplicate resonances" rr_1ee7 1
33 3 32 1 "Not handling dihedral restraint (original ID 32) - duplicate resonances" rr_1ee7 1
34 3 32 1 "Not handling dihedral restraint (original ID 32) - duplicate resonances" rr_1ee7 1
35 3 33 1 "Not handling dihedral restraint (original ID 33) - duplicate resonances" rr_1ee7 1
36 3 33 1 "Not handling dihedral restraint (original ID 33) - duplicate resonances" rr_1ee7 1
37 3 33 1 "Not handling dihedral restraint (original ID 33) - duplicate resonances" rr_1ee7 1
38 3 35 1 "Not handling dihedral restraint (original ID 35) - duplicate resonances" rr_1ee7 1
39 3 35 1 "Not handling dihedral restraint (original ID 35) - duplicate resonances" rr_1ee7 1
40 3 35 1 "Not handling dihedral restraint (original ID 35) - duplicate resonances" rr_1ee7 1
41 3 36 1 "Not handling dihedral restraint (original ID 36) - duplicate resonances" rr_1ee7 1
42 3 36 1 "Not handling dihedral restraint (original ID 36) - duplicate resonances" rr_1ee7 1
43 3 36 1 "Not handling dihedral restraint (original ID 36) - duplicate resonances" rr_1ee7 1
44 3 37 1 "Not handling dihedral restraint (original ID 37) - duplicate resonances" rr_1ee7 1
45 3 37 1 "Not handling dihedral restraint (original ID 37) - duplicate resonances" rr_1ee7 1
46 3 37 1 "Not handling dihedral restraint (original ID 37) - duplicate resonances" rr_1ee7 1
47 3 38 1 "Not handling dihedral restraint (original ID 38) - duplicate resonances" rr_1ee7 1
48 3 38 1 "Not handling dihedral restraint (original ID 38) - duplicate resonances" rr_1ee7 1
49 3 38 1 "Not handling dihedral restraint (original ID 38) - duplicate resonances" rr_1ee7 1
50 3 39 1 "Not handling dihedral restraint (original ID 39) - duplicate resonances" rr_1ee7 1
51 3 39 1 "Not handling dihedral restraint (original ID 39) - duplicate resonances" rr_1ee7 1
52 3 39 1 "Not handling dihedral restraint (original ID 39) - duplicate resonances" rr_1ee7 1
53 3 40 1 "Not handling dihedral restraint (original ID 40) - duplicate resonances" rr_1ee7 1
54 3 40 1 "Not handling dihedral restraint (original ID 40) - duplicate resonances" rr_1ee7 1
55 3 40 1 "Not handling dihedral restraint (original ID 40) - duplicate resonances" rr_1ee7 1
56 3 41 1 "Not handling dihedral restraint (original ID 41) - duplicate resonances" rr_1ee7 1
57 3 41 1 "Not handling dihedral restraint (original ID 41) - duplicate resonances" rr_1ee7 1
58 3 41 1 "Not handling dihedral restraint (original ID 41) - duplicate resonances" rr_1ee7 1
59 3 46 1 "Not handling dihedral restraint (original ID 46) - duplicate resonances" rr_1ee7 1
60 3 46 1 "Not handling dihedral restraint (original ID 46) - duplicate resonances" rr_1ee7 1
61 3 46 1 "Not handling dihedral restraint (original ID 46) - duplicate resonances" rr_1ee7 1
62 3 47 1 "Not handling dihedral restraint (original ID 47) - duplicate resonances" rr_1ee7 1
63 3 47 1 "Not handling dihedral restraint (original ID 47) - duplicate resonances" rr_1ee7 1
64 3 47 1 "Not handling dihedral restraint (original ID 47) - duplicate resonances" rr_1ee7 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_1ee7
_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 ANTIBIOTIC 31-JAN-00 1EE7 *TITLE NMR STRUCTURE OF THE PEPTAIBOL CHRYSOSPERMIN C BOUND TO DPC *TITLE 2 MICELLES *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: PEPTAIBOL; *COMPND 3 CHAIN: A *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: APIOCREA CHRYSOSPERMA; *SOURCE 3 ORGANISM_COMMON: FUNGI *KEYWDS CHRYSOSPERMIN C, PEPTAIBOL, PEPTIDE ANTIBIOTIC *EXPDTA NMR, MINIMIZED DG STRUCTURE, CLOSEST TO AVERAGE STRUCTURE *AUTHOR R.ANDERS, O.OHLENSCHLAGER, V.SOSKIC, H.WENSCHUH, B.HEISE, *AUTHOR 2 L.R.BROWN *REVDAT 1 10-MAY-00 1EE7 0"
save_
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