NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
532063 |
2l2w   |
17153 | cing | 3-converted-DOCR | STAR | entry | full | 191 |
data_DOCR_restraints_with_modified_coordinates_PDB_code_2l2w
# This DOCR archive file contains, for PDB entry <2l2w>:
#
# - 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, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister,
# G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for
# 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389?396.
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID rr_2l2w
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 2l2w"
_Entry.Version_type original
_Entry.NMR_STAR_version 3.1.0.8
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype solution
_Entry.Details "Contains the remediated restraint lists and coordinates for PDB entry 2l2w"
_Entry.PDB_coordinate_file_version 3.20
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2l2w "Master copy" rr_2l2w
stop_
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_2l2w
_Assembly.ID 1
_Assembly.Name 2l2w
_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 1780.9074
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 Thiostrepton 1 $Thiostrepton A . no . . . . . . rr_2l2w 1
stop_
save_
save_Thiostrepton
_Entity.Sf_category entity
_Entity.Sf_framecode Thiostrepton
_Entity.Entry_ID rr_2l2w
_Entity.ID 1
_Entity.Name Thiostrepton
_Entity.Type non-polymer
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_chirality yes
_Entity.Nstd_linkage yes
_Entity.Nonpolymer_comp_ID QUA
_Entity.Number_of_monomers 19
_Entity.Paramagnetic no
_Entity.Thiol_state "not present"
_Entity.Parent_entity_ID 1
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 . QUA . rr_2l2w 1
2 . ILE . rr_2l2w 1
3 . ALA . rr_2l2w 1
4 . DHA . rr_2l2w 1
5 . ALA . rr_2l2w 1
6 . SER . rr_2l2w 1
7 . . . rr_2l2w 1
8 . THR . rr_2l2w 1
9 . DBU . rr_2l2w 1
10 . . . rr_2l2w 1
11 . . . rr_2l2w 1
12 . . . rr_2l2w 1
13 . THR . rr_2l2w 1
14 . . . rr_2l2w 1
15 . . . rr_2l2w 1
16 . . . rr_2l2w 1
17 . DHA . rr_2l2w 1
18 . DHA . rr_2l2w 1
19 . NH2 . rr_2l2w 1
stop_
save_
save_chem_comp_QUA
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_QUA
_Chem_comp.Entry_ID rr_2l2w
_Chem_comp.ID QUA
_Chem_comp.Name "8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-2-CARBOXYLIC ACID"
_Chem_comp.Type non-polymer
_Chem_comp.PDB_code QUA
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic yes
_Chem_comp.Formula "C12 H13 N O4"
_Chem_comp.Formula_weight 235.239
save_
save_chem_comp_DHA
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_DHA
_Chem_comp.Entry_ID rr_2l2w
_Chem_comp.ID DHA
_Chem_comp.Name "2-AMINO-ACRYLIC ACID"
_Chem_comp.Type "L-peptide linking"
_Chem_comp.PDB_code DHA
_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 "C3 H3 N O"
_Chem_comp.Formula_weight 69.0628
loop_
_Chem_comp_common_name.Name
_Chem_comp_common_name.Type
_Chem_comp_common_name.Entry_ID
_Chem_comp_common_name.Comp_ID
"2-aminoacrylic acid" name rr_2l2w DHA
stop_
save_
save_chem_comp_BB9
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_BB9
_Chem_comp.Entry_ID rr_2l2w
_Chem_comp.ID 1
_Chem_comp.Name Bb9
_Chem_comp.Type "L-peptide linking"
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "C3 H N O S"
_Chem_comp.Formula_weight 99.107
save_
save_chem_comp_DBU
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_DBU
_Chem_comp.Entry_ID rr_2l2w
_Chem_comp.ID DBU
_Chem_comp.Name "(2E)-2-aminobut-2-enoic acid"
_Chem_comp.Type non-polymer
_Chem_comp.PDB_code DBU
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "C4 H7 N O2"
_Chem_comp.Formula_weight 101.1048
save_
save_chem_comp_DCY
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_DCY
_Chem_comp.Entry_ID rr_2l2w
_Chem_comp.ID 2
_Chem_comp.Name Dcy
_Chem_comp.Type "L-peptide linking"
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "C3 H3 N O S"
_Chem_comp.Formula_weight 101.1228
save_
save_chem_comp_TS9
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_TS9
_Chem_comp.Entry_ID rr_2l2w
_Chem_comp.ID 3
_Chem_comp.Name Ts9
_Chem_comp.Type "L-peptide linking"
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "C6 H11 N O2"
_Chem_comp.Formula_weight 129.1584
save_
save_chem_comp_MH6
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_MH6
_Chem_comp.Entry_ID rr_2l2w
_Chem_comp.ID 4
_Chem_comp.Name Mh6
_Chem_comp.Type "L-peptide linking"
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "C3 H2 N"
_Chem_comp.Formula_weight 52.0555
save_
save_chem_comp_NH2
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_NH2
_Chem_comp.Entry_ID rr_2l2w
_Chem_comp.ID NH2
_Chem_comp.Name "AMINO GROUP"
_Chem_comp.Type non-polymer
_Chem_comp.PDB_code NH2
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "H2 N"
_Chem_comp.Formula_weight 16.0225
save_
save_conformer_statistics
_Conformer_stat_list.Sf_category conformer_statistics
_Conformer_stat_list.Sf_framecode conformer_statistics
_Conformer_stat_list.Entry_ID rr_2l2w
_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 20
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_2l2w
_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_2l2w 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_2l2w 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 QUA C10 C -3.865 -2.513 -2.243 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C10 . . . . . . . . . rr_2l2w 1
. 1 . 2 . 1 1 1 QUA C11 C -0.558 -1.189 0.058 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C11 . . . . . . . . . rr_2l2w 1
. 1 . 3 . 1 1 1 QUA C13 C -2.351 -2.929 -4.260 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C13 . . . . . . . . . rr_2l2w 1
. 1 . 4 . 1 1 1 QUA C14 C -2.296 -4.448 -4.341 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C14 . . . . . . . . . rr_2l2w 1
. 1 . 5 . 1 1 1 QUA C2 C -1.744 -1.654 -0.729 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C2 . . . . . . . . . rr_2l2w 1
. 1 . 6 . 1 1 1 QUA C3 C -1.512 -2.051 -2.040 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C3 . . . . . . . . . rr_2l2w 1
. 1 . 7 . 1 1 1 QUA C4 C -2.585 -2.488 -2.815 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C4 . . . . . . . . . rr_2l2w 1
. 1 . 8 . 1 1 1 QUA C5 C -5.055 -2.954 -2.987 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C5 . . . . . . . . . rr_2l2w 1
. 1 . 9 . 1 1 1 QUA C6 C -6.162 -3.265 -2.386 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C6 . . . . . . . . . rr_2l2w 1
. 1 . 10 . 1 1 1 QUA C7 C -6.306 -3.200 -0.861 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C7 . . . . . . . . . rr_2l2w 1
. 1 . 11 . 1 1 1 QUA C8 C -5.373 -2.112 -0.257 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C8 . . . . . . . . . rr_2l2w 1
. 1 . 12 . 1 1 1 QUA C9 C -4.003 -2.100 -0.927 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C9 . . . . . . . . . rr_2l2w 1
. 1 . 13 . 1 1 1 QUA H13 H -3.166 -2.587 -4.879 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H13 . . . . . . . . . rr_2l2w 1
. 1 . 14 . 1 1 1 QUA H141 H -3.220 -4.863 -3.965 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H141 . . . . . . . . . rr_2l2w 1
. 1 . 15 . 1 1 1 QUA H142 H -1.471 -4.810 -3.745 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H142 . . . . . . . . . rr_2l2w 1
. 1 . 16 . 1 1 1 QUA H143 H -2.158 -4.749 -5.368 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H143 . . . . . . . . . rr_2l2w 1
. 1 . 17 . 1 1 1 QUA H15 H -1.152 -2.397 -5.734 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H15 . . . . . . . . . rr_2l2w 1
. 1 . 18 . 1 1 1 QUA H16 H -6.040 -0.594 -1.323 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H16 . . . . . . . . . rr_2l2w 1
. 1 . 19 . 1 1 1 QUA HC3 H -0.514 -2.020 -2.453 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC3 . . . . . . . . . rr_2l2w 1
. 1 . 20 . 1 1 1 QUA HC5 H -5.010 -3.017 -4.063 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC5 . . . . . . . . . rr_2l2w 1
. 1 . 21 . 1 1 1 QUA HC6 H -7.008 -3.581 -2.979 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC6 . . . . . . . . . rr_2l2w 1
. 1 . 22 . 1 1 1 QUA HC71 H -7.327 -2.965 -0.604 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC71 . . . . . . . . . rr_2l2w 1
. 1 . 23 . 1 1 1 QUA HC8 H -5.252 -2.322 0.796 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC8 . . . . . . . . . rr_2l2w 1
. 1 . 24 . 1 1 1 QUA N1 N -2.973 -1.668 -0.147 . . . 1.0 . . . . . . . . . . . . A . 0 QUA N1 . . . . . . . . . rr_2l2w 1
. 1 . 25 . 1 1 1 QUA O12 O 0.586 -1.178 -0.398 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O12 . . . . . . . . . rr_2l2w 1
. 1 . 26 . 1 1 1 QUA O15 O -1.129 -2.386 -4.774 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O15 . . . . . . . . . rr_2l2w 1
. 1 . 27 . 1 1 1 QUA O16 O -5.999 -0.833 -0.395 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O16 . . . . . . . . . rr_2l2w 1
. 1 . 28 . 1 1 2 ILE C C -5.092 -5.000 1.926 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2l2w 1
. 1 . 29 . 1 1 2 ILE CA C -6.334 -4.757 1.091 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2l2w 1
. 1 . 30 . 1 1 2 ILE CB C -7.316 -5.930 1.286 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2l2w 1
. 1 . 31 . 1 1 2 ILE CD1 C -7.610 -8.424 0.827 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2l2w 1
. 1 . 32 . 1 1 2 ILE CG1 C -6.849 -7.159 0.496 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2l2w 1
. 1 . 33 . 1 1 2 ILE CG2 C -8.719 -5.517 0.861 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2l2w 1
. 1 . 34 . 1 1 2 ILE H H -5.035 -4.747 -0.479 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H . . . . . . . . . rr_2l2w 1
. 1 . 35 . 1 1 2 ILE HA H -6.806 -3.859 1.446 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2l2w 1
. 1 . 36 . 1 1 2 ILE HB H -7.345 -6.177 2.338 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2l2w 1
. 1 . 37 . 1 1 2 ILE HD11 H -8.643 -8.312 0.534 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2l2w 1
. 1 . 38 . 1 1 2 ILE HD12 H -7.558 -8.609 1.891 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2l2w 1
. 1 . 39 . 1 1 2 ILE HD13 H -7.174 -9.257 0.296 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2l2w 1
. 1 . 40 . 1 1 2 ILE HG12 H -6.973 -6.967 -0.559 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2l2w 1
. 1 . 41 . 1 1 2 ILE HG13 H -5.803 -7.336 0.703 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2l2w 1
. 1 . 42 . 1 1 2 ILE HG21 H -9.015 -4.634 1.410 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2l2w 1
. 1 . 43 . 1 1 2 ILE HG22 H -9.411 -6.319 1.070 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2l2w 1
. 1 . 44 . 1 1 2 ILE HG23 H -8.725 -5.302 -0.196 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2l2w 1
. 1 . 45 . 1 1 2 ILE N N -5.988 -4.567 -0.348 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2l2w 1
. 1 . 46 . 1 1 2 ILE O O -5.137 -4.943 3.155 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2l2w 1
. 1 . 47 . 1 1 3 ALA C C -1.581 -5.678 0.937 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2l2w 1
. 1 . 48 . 1 1 3 ALA CA C -2.739 -5.604 1.926 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2l2w 1
. 1 . 49 . 1 1 3 ALA CB C -2.905 -6.920 2.665 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2l2w 1
. 1 . 50 . 1 1 3 ALA H H -3.996 -5.226 0.270 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2l2w 1
. 1 . 51 . 1 1 3 ALA HA H -2.531 -4.832 2.653 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2l2w 1
. 1 . 52 . 1 1 3 ALA HB1 H -3.782 -6.864 3.294 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2l2w 1
. 1 . 53 . 1 1 3 ALA HB2 H -2.034 -7.105 3.274 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2l2w 1
. 1 . 54 . 1 1 3 ALA HB3 H -3.026 -7.719 1.950 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2l2w 1
. 1 . 55 . 1 1 3 ALA N N -3.980 -5.263 1.249 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2l2w 1
. 1 . 56 . 1 1 3 ALA O O -1.639 -6.425 -0.039 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2l2w 1
. 1 . 57 . 1 1 4 DHA C C 1.592 -3.755 0.936 . . . 1.0 . . . . . . . . . . . . A . 3 DHA C . . . . . . . . . rr_2l2w 1
. 1 . 58 . 1 1 4 DHA CA C 0.636 -4.671 0.345 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CA . . . . . . . . . rr_2l2w 1
. 1 . 59 . 1 1 4 DHA CB C 0.839 -5.197 -0.856 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CB . . . . . . . . . rr_2l2w 1
. 1 . 60 . 1 1 4 DHA H H -0.545 -4.436 2.072 . . . 1.0 . . . . . . . . . . . . A . 3 DHA H . . . . . . . . . rr_2l2w 1
. 1 . 61 . 1 1 4 DHA HB1 H 0.111 -5.863 -1.290 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB1 . . . . . . . . . rr_2l2w 1
. 1 . 62 . 1 1 4 DHA HB2 H 1.732 -4.947 -1.409 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB2 . . . . . . . . . rr_2l2w 1
. 1 . 63 . 1 1 4 DHA N N -0.533 -4.899 1.208 . . . 1.0 . . . . . . . . . . . . A . 3 DHA N . . . . . . . . . rr_2l2w 1
. 1 . 64 . 1 1 4 DHA O O 1.326 -3.303 2.048 . . . 1.0 . . . . . . . . . . . . A . 3 DHA O . . . . . . . . . rr_2l2w 1
. 1 . 65 . 1 1 5 ALA C C 3.956 -1.486 -0.461 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_2l2w 1
. 1 . 66 . 1 1 5 ALA CA C 3.579 -2.372 0.716 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_2l2w 1
. 1 . 67 . 1 1 5 ALA CB C 4.817 -2.959 1.374 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_2l2w 1
. 1 . 68 . 1 1 5 ALA H H 2.916 -3.932 -0.546 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_2l2w 1
. 1 . 69 . 1 1 5 ALA HA H 3.052 -1.779 1.450 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_2l2w 1
. 1 . 70 . 1 1 5 ALA HB1 H 4.518 -3.616 2.177 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . rr_2l2w 1
. 1 . 71 . 1 1 5 ALA HB2 H 5.427 -2.161 1.769 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_2l2w 1
. 1 . 72 . 1 1 5 ALA HB3 H 5.383 -3.517 0.643 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_2l2w 1
. 1 . 73 . 1 1 5 ALA N N 2.692 -3.437 0.270 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_2l2w 1
. 1 . 74 . 1 1 5 ALA O O 4.586 -1.951 -1.411 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_2l2w 1
. 1 . 75 . 1 1 6 SER C C 2.644 0.349 -2.585 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2l2w 1
. 1 . 76 . 1 1 6 SER CA C 3.660 0.702 -1.603 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2l2w 1
. 1 . 77 . 1 1 6 SER CB C 5.097 0.709 -2.201 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2l2w 1
. 1 . 78 . 1 1 6 SER H H 3.175 0.125 0.448 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2l2w 1
. 1 . 79 . 1 1 6 SER HB2 H 5.315 -0.248 -2.647 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2l2w 1
. 1 . 80 . 1 1 6 SER HB3 H 5.170 1.479 -2.954 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2l2w 1
. 1 . 81 . 1 1 6 SER N N 3.556 -0.210 -0.397 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2l2w 1
. 1 . 82 . 1 1 7 . C C -0.629 0.664 -3.984 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 C . . . . . . . . . rr_2l2w 1
. 1 . 83 . 1 1 7 . CA C 0.739 0.290 -3.685 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CA . . . . . . . . . rr_2l2w 1
. 1 . 84 . 1 1 7 . CB C 1.456 -0.685 -4.440 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CB . . . . . . . . . rr_2l2w 1
. 1 . 85 . 1 1 7 . HB H 1.072 -1.234 -5.288 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 HB . . . . . . . . . rr_2l2w 1
. 1 . 86 . 1 1 7 . N N 1.444 0.830 -2.669 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 N . . . . . . . . . rr_2l2w 1
. 1 . 87 . 1 1 7 . O O -1.288 0.218 -4.921 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 O . . . . . . . . . rr_2l2w 1
. 1 . 88 . 1 1 7 . SG S 2.999 -0.839 -3.783 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 SG . . . . . . . . . rr_2l2w 1
. 1 . 89 . 1 1 8 THR C C -2.518 3.561 -2.972 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2l2w 1
. 1 . 90 . 1 1 8 THR CA C -2.481 2.054 -3.212 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2l2w 1
. 1 . 91 . 1 1 8 THR CB C -3.422 1.353 -2.210 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2l2w 1
. 1 . 92 . 1 1 8 THR CG2 C -2.957 1.561 -0.774 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2l2w 1
. 1 . 93 . 1 1 8 THR H H -0.545 1.859 -2.381 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2l2w 1
. 1 . 94 . 1 1 8 THR HA H -2.841 1.851 -4.212 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2l2w 1
. 1 . 95 . 1 1 8 THR HB H -3.419 0.293 -2.421 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2l2w 1
. 1 . 96 . 1 1 8 THR HG1 H -5.110 2.085 -1.496 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2l2w 1
. 1 . 97 . 1 1 8 THR HG21 H -3.111 2.591 -0.490 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2l2w 1
. 1 . 98 . 1 1 8 THR HG22 H -1.907 1.320 -0.697 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2l2w 1
. 1 . 99 . 1 1 8 THR HG23 H -3.523 0.918 -0.116 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2l2w 1
. 1 . 100 . 1 1 8 THR N N -1.117 1.545 -3.112 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2l2w 1
. 1 . 101 . 1 1 8 THR O O -1.512 4.163 -2.596 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2l2w 1
. 1 . 102 . 1 1 8 THR OG1 O -4.757 1.851 -2.359 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2l2w 1
. 1 . 103 . 1 1 9 DBU C C -4.838 5.953 -1.898 . . . 1.0 . . . . . . . . . . . . A . 8 DBU C . . . . . . . . . rr_2l2w 1
. 1 . 104 . 1 1 9 DBU CA C -3.936 5.599 -3.021 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CA . . . . . . . . . rr_2l2w 1
. 1 . 105 . 1 1 9 DBU CB C -3.419 6.552 -3.795 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CB . . . . . . . . . rr_2l2w 1
. 1 . 106 . 1 1 9 DBU CG C -2.481 6.257 -4.975 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CG . . . . . . . . . rr_2l2w 1
. 1 . 107 . 1 1 9 DBU HG1 H -1.585 5.775 -4.613 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG1 . . . . . . . . . rr_2l2w 1
. 1 . 108 . 1 1 9 DBU HG2 H -2.217 7.182 -5.466 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG2 . . . . . . . . . rr_2l2w 1
. 1 . 109 . 1 1 9 DBU HG3 H -2.980 5.607 -5.678 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG3 . . . . . . . . . rr_2l2w 1
. 1 . 110 . 1 1 9 DBU N N -3.681 4.165 -3.191 . . . 1.0 . . . . . . . . . . . . A . 8 DBU N . . . . . . . . . rr_2l2w 1
. 1 . 111 . 1 1 10 . C C -6.191 4.984 1.265 . . . 1.0 . . . . . . . . . . . . A . 9 DCY C . . . . . . . . . rr_2l2w 1
. 1 . 112 . 1 1 10 . CA C -6.223 5.683 -0.081 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CA . . . . . . . . . rr_2l2w 1
. 1 . 113 . 1 1 10 . CB C -5.788 7.138 0.066 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CB . . . . . . . . . rr_2l2w 1
. 1 . 114 . 1 1 10 . HA H -7.239 5.674 -0.444 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HA . . . . . . . . . rr_2l2w 1
. 1 . 115 . 1 1 10 . HB2 H -6.622 7.747 0.400 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB2 . . . . . . . . . rr_2l2w 1
. 1 . 116 . 1 1 10 . HB3 H -4.956 7.222 0.743 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB3 . . . . . . . . . rr_2l2w 1
. 1 . 117 . 1 1 10 . N N -5.362 5.061 -1.099 . . . 1.0 . . . . . . . . . . . . A . 9 DCY N . . . . . . . . . rr_2l2w 1
. 1 . 118 . 1 1 10 . O O -6.229 5.677 2.283 . . . 1.0 . . . . . . . . . . . . A . 9 DCY O . . . . . . . . . rr_2l2w 1
. 1 . 119 . 1 1 10 . SG S -5.261 7.603 -1.586 . . . 1.0 . . . . . . . . . . . . A . 9 DCY SG . . . . . . . . . rr_2l2w 1
. 1 . 120 . 1 1 11 . C C -4.947 3.024 3.351 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 C . . . . . . . . . rr_2l2w 1
. 1 . 121 . 1 1 11 . CA C -6.245 2.916 2.547 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CA . . . . . . . . . rr_2l2w 1
. 1 . 122 . 1 1 11 . CB C -6.638 1.418 2.287 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CB . . . . . . . . . rr_2l2w 1
. 1 . 123 . 1 1 11 . CD1 C -8.564 0.062 1.145 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CD1 . . . . . . . . . rr_2l2w 1
. 1 . 124 . 1 1 11 . CG1 C -7.914 1.421 1.373 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG1 . . . . . . . . . rr_2l2w 1
. 1 . 125 . 1 1 11 . CG2 C -6.912 0.708 3.578 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG2 . . . . . . . . . rr_2l2w 1
. 1 . 126 . 1 1 11 . H H -5.992 3.162 0.454 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 H . . . . . . . . . rr_2l2w 1
. 1 . 127 . 1 1 11 . HA H -7.039 3.382 3.112 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HA . . . . . . . . . rr_2l2w 1
. 1 . 128 . 1 1 11 . HD11 H -7.797 -0.689 1.031 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD11 . . . . . . . . . rr_2l2w 1
. 1 . 129 . 1 1 11 . HD12 H -9.168 0.097 0.250 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD12 . . . . . . . . . rr_2l2w 1
. 1 . 130 . 1 1 11 . HD13 H -9.189 -0.186 1.990 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD13 . . . . . . . . . rr_2l2w 1
. 1 . 131 . 1 1 11 . HD2 H -9.556 1.758 2.418 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD2 . . . . . . . . . rr_2l2w 1
. 1 . 132 . 1 1 11 . HG1 H -7.663 1.839 0.410 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG1 . . . . . . . . . rr_2l2w 1
. 1 . 133 . 1 1 11 . HG21 H -7.118 -0.334 3.380 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG21 . . . . . . . . . rr_2l2w 1
. 1 . 134 . 1 1 11 . HG22 H -7.767 1.158 4.061 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG22 . . . . . . . . . rr_2l2w 1
. 1 . 135 . 1 1 11 . HG23 H -6.052 0.784 4.225 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG23 . . . . . . . . . rr_2l2w 1
. 1 . 136 . 1 1 11 . HG3 H -5.250 1.348 0.908 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG3 . . . . . . . . . rr_2l2w 1
. 1 . 137 . 1 1 11 . N N -6.125 3.654 1.291 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 N . . . . . . . . . rr_2l2w 1
. 1 . 138 . 1 1 11 . OD2 O -8.863 2.286 2.014 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OD2 . . . . . . . . . rr_2l2w 1
. 1 . 139 . 1 1 11 . OG3 O -5.579 0.774 1.604 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OG3 . . . . . . . . . rr_2l2w 1
. 1 . 140 . 1 1 12 . C C -1.466 2.354 3.825 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 C . . . . . . . . . rr_2l2w 1
. 1 . 141 . 1 1 12 . CA C -2.846 2.787 3.933 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CA . . . . . . . . . rr_2l2w 1
. 1 . 142 . 1 1 12 . CB C -3.306 3.546 5.052 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CB . . . . . . . . . rr_2l2w 1
. 1 . 143 . 1 1 12 . HB H -2.702 3.858 5.891 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 HB . . . . . . . . . rr_2l2w 1
. 1 . 144 . 1 1 12 . N N -3.801 2.520 3.010 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 N . . . . . . . . . rr_2l2w 1
. 1 . 145 . 1 1 12 . O O -0.600 2.603 4.664 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 O . . . . . . . . . rr_2l2w 1
. 1 . 146 . 1 1 12 . SG S -4.943 3.871 4.846 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 SG . . . . . . . . . rr_2l2w 1
. 1 . 147 . 1 1 13 THR C C 0.742 1.895 1.248 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_2l2w 1
. 1 . 148 . 1 1 13 THR CA C 0.140 1.166 2.437 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_2l2w 1
. 1 . 149 . 1 1 13 THR CB C 0.184 -0.355 2.199 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_2l2w 1
. 1 . 150 . 1 1 13 THR CG2 C -0.004 -1.111 3.495 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_2l2w 1
. 1 . 151 . 1 1 13 THR H H -1.937 1.453 2.096 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_2l2w 1
. 1 . 152 . 1 1 13 THR HA H 0.746 1.371 3.306 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_2l2w 1
. 1 . 153 . 1 1 13 THR HB H 1.146 -0.622 1.785 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_2l2w 1
. 1 . 154 . 1 1 13 THR HG21 H -0.738 -0.606 4.106 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_2l2w 1
. 1 . 155 . 1 1 13 THR HG22 H 0.940 -1.151 4.018 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_2l2w 1
. 1 . 156 . 1 1 13 THR HG23 H -0.340 -2.114 3.281 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_2l2w 1
. 1 . 157 . 1 1 13 THR N N -1.211 1.649 2.723 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_2l2w 1
. 1 . 158 . 1 1 13 THR OG1 O -0.902 -0.779 1.280 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_2l2w 1
. 1 . 159 . 1 1 14 . C C 3.459 2.163 -1.054 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 C . . . . . . . . . rr_2l2w 1
. 1 . 160 . 1 1 14 . CA C 2.172 2.388 -0.321 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CA . . . . . . . . . rr_2l2w 1
. 1 . 161 . 1 1 14 . CB C 1.185 3.388 -0.600 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CB . . . . . . . . . rr_2l2w 1
. 1 . 162 . 1 1 14 . HB H 1.238 4.125 -1.387 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 HB . . . . . . . . . rr_2l2w 1
. 1 . 163 . 1 1 14 . N N 1.871 1.589 0.715 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 N . . . . . . . . . rr_2l2w 1
. 1 . 164 . 1 1 14 . SG S -0.072 3.218 0.512 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 SG . . . . . . . . . rr_2l2w 1
. 1 . 165 . 1 1 15 . C C 6.625 2.428 0.890 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 C . . . . . . . . . rr_2l2w 1
. 1 . 166 . 1 1 15 . CA C 5.657 1.990 -0.139 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CA . . . . . . . . . rr_2l2w 1
. 1 . 167 . 1 1 15 . CB C 6.127 0.989 -1.110 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CB . . . . . . . . . rr_2l2w 1
. 1 . 168 . 1 1 15 . HB2 H 6.337 0.067 -0.592 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB2 . . . . . . . . . rr_2l2w 1
. 1 . 169 . 1 1 15 . HB3 H 7.034 1.343 -1.582 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB3 . . . . . . . . . rr_2l2w 1
. 1 . 170 . 1 1 15 . N N 4.492 2.534 -0.074 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 N . . . . . . . . . rr_2l2w 1
. 1 . 171 . 1 1 16 . C C 9.878 2.204 2.323 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 C . . . . . . . . . rr_2l2w 1
. 1 . 172 . 1 1 16 . CA C 8.505 2.536 2.002 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CA . . . . . . . . . rr_2l2w 1
. 1 . 173 . 1 1 16 . CB C 7.748 3.493 2.750 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CB . . . . . . . . . rr_2l2w 1
. 1 . 174 . 1 1 16 . HB H 8.103 4.051 3.603 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 HB . . . . . . . . . rr_2l2w 1
. 1 . 175 . 1 1 16 . N N 7.830 1.973 0.975 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 N . . . . . . . . . rr_2l2w 1
. 1 . 176 . 1 1 16 . O O 10.519 2.707 3.245 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 O . . . . . . . . . rr_2l2w 1
. 1 . 177 . 1 1 16 . SG S 6.206 3.601 2.074 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 SG . . . . . . . . . rr_2l2w 1
. 1 . 178 . 1 1 17 DHA C C 11.979 -0.241 0.465 . . . 1.0 . . . . . . . . . . . . A . 16 DHA C . . . . . . . . . rr_2l2w 1
. 1 . 179 . 1 1 17 DHA CA C 11.734 0.703 1.543 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CA . . . . . . . . . rr_2l2w 1
. 1 . 180 . 1 1 17 DHA CB C 12.669 0.977 2.442 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CB . . . . . . . . . rr_2l2w 1
. 1 . 181 . 1 1 17 DHA H H 9.777 0.954 0.796 . . . 1.0 . . . . . . . . . . . . A . 16 DHA H . . . . . . . . . rr_2l2w 1
. 1 . 182 . 1 1 17 DHA HB1 H 12.470 1.679 3.236 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB1 . . . . . . . . . rr_2l2w 1
. 1 . 183 . 1 1 17 DHA HB2 H 13.633 0.496 2.381 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB2 . . . . . . . . . rr_2l2w 1
. 1 . 184 . 1 1 17 DHA N N 10.378 1.279 1.500 . . . 1.0 . . . . . . . . . . . . A . 16 DHA N . . . . . . . . . rr_2l2w 1
. 1 . 185 . 1 1 17 DHA O O 11.055 -0.437 -0.323 . . . 1.0 . . . . . . . . . . . . A . 16 DHA O . . . . . . . . . rr_2l2w 1
. 1 . 186 . 1 1 18 DHA C C 14.978 -2.199 -0.547 . . . 1.0 . . . . . . . . . . . . A . 17 DHA C . . . . . . . . . rr_2l2w 1
. 1 . 187 . 1 1 18 DHA CA C 13.578 -1.821 -0.652 . . . 1.0 . . . . . . . . . . . . A . 17 DHA CA . . . . . . . . . rr_2l2w 1
. 1 . 188 . 1 1 18 DHA CB C 12.797 -2.335 -1.592 . . . 1.0 . . . . . . . . . . . . A . 17 DHA CB . . . . . . . . . rr_2l2w 1
. 1 . 189 . 1 1 18 DHA H H 13.837 -0.594 1.045 . . . 1.0 . . . . . . . . . . . . A . 17 DHA H . . . . . . . . . rr_2l2w 1
. 1 . 190 . 1 1 18 DHA HB1 H 11.762 -2.043 -1.657 . . . 1.0 . . . . . . . . . . . . A . 17 DHA HB1 . . . . . . . . . rr_2l2w 1
. 1 . 191 . 1 1 18 DHA HB2 H 13.199 -3.048 -2.295 . . . 1.0 . . . . . . . . . . . . A . 17 DHA HB2 . . . . . . . . . rr_2l2w 1
. 1 . 192 . 1 1 18 DHA N N 13.170 -0.840 0.371 . . . 1.0 . . . . . . . . . . . . A . 17 DHA N . . . . . . . . . rr_2l2w 1
. 1 . 193 . 1 1 18 DHA O O 15.640 -1.680 0.349 . . . 1.0 . . . . . . . . . . . . A . 17 DHA O . . . . . . . . . rr_2l2w 1
. 1 . 194 . 1 1 19 NH2 HN1 H 16.433 -3.325 -1.334 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN1 . . . . . . . . . rr_2l2w 1
. 1 . 195 . 1 1 19 NH2 HN2 H 14.916 -3.457 -2.105 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN2 . . . . . . . . . rr_2l2w 1
. 1 . 196 . 1 1 19 NH2 N N 15.489 -3.075 -1.407 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 N . . . . . . . . . rr_2l2w 1
. 2 . 197 . 1 1 1 QUA C10 C -3.814 -2.531 -2.268 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C10 . . . . . . . . . rr_2l2w 1
. 2 . 198 . 1 1 1 QUA C11 C -0.541 -1.157 0.056 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C11 . . . . . . . . . rr_2l2w 1
. 2 . 199 . 1 1 1 QUA C13 C -2.274 -2.941 -4.266 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C13 . . . . . . . . . rr_2l2w 1
. 2 . 200 . 1 1 1 QUA C14 C -2.173 -4.457 -4.329 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C14 . . . . . . . . . rr_2l2w 1
. 2 . 201 . 1 1 1 QUA C2 C -1.717 -1.638 -0.739 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C2 . . . . . . . . . rr_2l2w 1
. 2 . 202 . 1 1 1 QUA C3 C -1.468 -2.040 -2.044 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C3 . . . . . . . . . rr_2l2w 1
. 2 . 203 . 1 1 1 QUA C4 C -2.528 -2.493 -2.828 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C4 . . . . . . . . . rr_2l2w 1
. 2 . 204 . 1 1 1 QUA C5 C -4.991 -2.989 -3.023 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C5 . . . . . . . . . rr_2l2w 1
. 2 . 205 . 1 1 1 QUA C6 C -6.103 -3.302 -2.435 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C6 . . . . . . . . . rr_2l2w 1
. 2 . 206 . 1 1 1 QUA C7 C -6.271 -3.225 -0.914 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C7 . . . . . . . . . rr_2l2w 1
. 2 . 207 . 1 1 1 QUA C8 C -5.346 -2.136 -0.297 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C8 . . . . . . . . . rr_2l2w 1
. 2 . 208 . 1 1 1 QUA C9 C -3.969 -2.113 -0.955 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C9 . . . . . . . . . rr_2l2w 1
. 2 . 209 . 1 1 1 QUA H13 H -3.093 -2.629 -4.894 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H13 . . . . . . . . . rr_2l2w 1
. 2 . 210 . 1 1 1 QUA H141 H -1.368 -4.792 -3.690 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H141 . . . . . . . . . rr_2l2w 1
. 2 . 211 . 1 1 1 QUA H142 H -1.978 -4.764 -5.345 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H142 . . . . . . . . . rr_2l2w 1
. 2 . 212 . 1 1 1 QUA H143 H -3.103 -4.894 -3.993 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H143 . . . . . . . . . rr_2l2w 1
. 2 . 213 . 1 1 1 QUA H15 H -0.581 -3.031 -5.279 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H15 . . . . . . . . . rr_2l2w 1
. 2 . 214 . 1 1 1 QUA H16 H -6.268 -0.734 -1.332 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H16 . . . . . . . . . rr_2l2w 1
. 2 . 215 . 1 1 1 QUA HC3 H -0.468 -1.999 -2.448 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC3 . . . . . . . . . rr_2l2w 1
. 2 . 216 . 1 1 1 QUA HC5 H -4.931 -3.063 -4.098 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC5 . . . . . . . . . rr_2l2w 1
. 2 . 217 . 1 1 1 QUA HC6 H -6.938 -3.630 -3.037 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC6 . . . . . . . . . rr_2l2w 1
. 2 . 218 . 1 1 1 QUA HC71 H -7.295 -2.988 -0.675 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC71 . . . . . . . . . rr_2l2w 1
. 2 . 219 . 1 1 1 QUA HC8 H -5.232 -2.354 0.756 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC8 . . . . . . . . . rr_2l2w 1
. 2 . 220 . 1 1 1 QUA N1 N -2.951 -1.664 -0.167 . . . 1.0 . . . . . . . . . . . . A . 0 QUA N1 . . . . . . . . . rr_2l2w 1
. 2 . 221 . 1 1 1 QUA O12 O 0.606 -1.137 -0.392 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O12 . . . . . . . . . rr_2l2w 1
. 2 . 222 . 1 1 1 QUA O15 O -1.063 -2.368 -4.777 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O15 . . . . . . . . . rr_2l2w 1
. 2 . 223 . 1 1 1 QUA O16 O -5.977 -0.857 -0.426 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O16 . . . . . . . . . rr_2l2w 1
. 2 . 224 . 1 1 2 ILE C C -5.138 -5.035 1.903 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2l2w 1
. 2 . 225 . 1 1 2 ILE CA C -6.355 -4.785 1.033 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2l2w 1
. 2 . 226 . 1 1 2 ILE CB C -7.345 -5.957 1.188 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2l2w 1
. 2 . 227 . 1 1 2 ILE CD1 C -7.660 -8.439 0.670 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2l2w 1
. 2 . 228 . 1 1 2 ILE CG1 C -6.841 -7.189 0.423 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2l2w 1
. 2 . 229 . 1 1 2 ILE CG2 C -8.725 -5.542 0.698 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2l2w 1
. 2 . 230 . 1 1 2 ILE H H -5.004 -4.763 -0.493 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H . . . . . . . . . rr_2l2w 1
. 2 . 231 . 1 1 2 ILE HA H -6.835 -3.888 1.377 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2l2w 1
. 2 . 232 . 1 1 2 ILE HB H -7.420 -6.199 2.237 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2l2w 1
. 2 . 233 . 1 1 2 ILE HD11 H -7.727 -8.620 1.733 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2l2w 1
. 2 . 234 . 1 1 2 ILE HD12 H -7.183 -9.282 0.191 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2l2w 1
. 2 . 235 . 1 1 2 ILE HD13 H -8.652 -8.308 0.264 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2l2w 1
. 2 . 236 . 1 1 2 ILE HG12 H -6.869 -6.982 -0.637 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2l2w 1
. 2 . 237 . 1 1 2 ILE HG13 H -5.823 -7.396 0.716 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2l2w 1
. 2 . 238 . 1 1 2 ILE HG21 H -9.438 -6.321 0.925 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2l2w 1
. 2 . 239 . 1 1 2 ILE HG22 H -8.696 -5.382 -0.370 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2l2w 1
. 2 . 240 . 1 1 2 ILE HG23 H -9.022 -4.628 1.190 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2l2w 1
. 2 . 241 . 1 1 2 ILE N N -5.962 -4.589 -0.394 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2l2w 1
. 2 . 242 . 1 1 2 ILE O O -5.214 -4.967 3.130 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2l2w 1
. 2 . 243 . 1 1 3 ALA C C -1.610 -5.739 0.999 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2l2w 1
. 2 . 244 . 1 1 3 ALA CA C -2.786 -5.650 1.965 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2l2w 1
. 2 . 245 . 1 1 3 ALA CB C -2.966 -6.954 2.719 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2l2w 1
. 2 . 246 . 1 1 3 ALA H H -4.008 -5.303 0.278 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2l2w 1
. 2 . 247 . 1 1 3 ALA HA H -2.592 -4.867 2.684 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2l2w 1
. 2 . 248 . 1 1 3 ALA HB1 H -2.143 -7.093 3.402 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2l2w 1
. 2 . 249 . 1 1 3 ALA HB2 H -2.997 -7.772 2.016 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2l2w 1
. 2 . 250 . 1 1 3 ALA HB3 H -3.895 -6.919 3.272 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2l2w 1
. 2 . 251 . 1 1 3 ALA N N -4.013 -5.318 1.257 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2l2w 1
. 2 . 252 . 1 1 3 ALA O O -1.606 -6.568 0.089 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2l2w 1
. 2 . 253 . 1 1 4 DHA C C 1.518 -3.748 0.928 . . . 1.0 . . . . . . . . . . . . A . 3 DHA C . . . . . . . . . rr_2l2w 1
. 2 . 254 . 1 1 4 DHA CA C 0.537 -4.635 0.335 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CA . . . . . . . . . rr_2l2w 1
. 2 . 255 . 1 1 4 DHA CB C 0.703 -5.125 -0.886 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CB . . . . . . . . . rr_2l2w 1
. 2 . 256 . 1 1 4 DHA H H -0.643 -4.382 2.061 . . . 1.0 . . . . . . . . . . . . A . 3 DHA H . . . . . . . . . rr_2l2w 1
. 2 . 257 . 1 1 4 DHA HB1 H -0.044 -5.770 -1.320 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB1 . . . . . . . . . rr_2l2w 1
. 2 . 258 . 1 1 4 DHA HB2 H 1.584 -4.866 -1.455 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB2 . . . . . . . . . rr_2l2w 1
. 2 . 259 . 1 1 4 DHA N N -0.612 -4.883 1.219 . . . 1.0 . . . . . . . . . . . . A . 3 DHA N . . . . . . . . . rr_2l2w 1
. 2 . 260 . 1 1 4 DHA O O 1.288 -3.327 2.060 . . . 1.0 . . . . . . . . . . . . A . 3 DHA O . . . . . . . . . rr_2l2w 1
. 2 . 261 . 1 1 5 ALA C C 3.915 -1.499 -0.474 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_2l2w 1
. 2 . 262 . 1 1 5 ALA CA C 3.517 -2.387 0.694 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_2l2w 1
. 2 . 263 . 1 1 5 ALA CB C 4.742 -3.013 1.341 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_2l2w 1
. 2 . 264 . 1 1 5 ALA H H 2.791 -3.888 -0.601 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_2l2w 1
. 2 . 265 . 1 1 5 ALA HA H 3.010 -1.787 1.436 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_2l2w 1
. 2 . 266 . 1 1 5 ALA HB1 H 5.298 -3.567 0.599 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . rr_2l2w 1
. 2 . 267 . 1 1 5 ALA HB2 H 4.427 -3.683 2.128 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_2l2w 1
. 2 . 268 . 1 1 5 ALA HB3 H 5.368 -2.237 1.756 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_2l2w 1
. 2 . 269 . 1 1 5 ALA N N 2.601 -3.421 0.239 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_2l2w 1
. 2 . 270 . 1 1 5 ALA O O 4.534 -1.971 -1.427 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_2l2w 1
. 2 . 271 . 1 1 6 SER C C 2.649 0.360 -2.592 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2l2w 1
. 2 . 272 . 1 1 6 SER CA C 3.665 0.699 -1.603 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2l2w 1
. 2 . 273 . 1 1 6 SER CB C 5.107 0.687 -2.191 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2l2w 1
. 2 . 274 . 1 1 6 SER H H 3.168 0.124 0.447 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2l2w 1
. 2 . 275 . 1 1 6 SER HB2 H 5.316 -0.271 -2.638 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2l2w 1
. 2 . 276 . 1 1 6 SER HB3 H 5.197 1.459 -2.941 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2l2w 1
. 2 . 277 . 1 1 6 SER N N 3.543 -0.216 -0.400 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2l2w 1
. 2 . 278 . 1 1 7 . C C -0.628 0.690 -3.983 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 C . . . . . . . . . rr_2l2w 1
. 2 . 279 . 1 1 7 . CA C 0.742 0.316 -3.691 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CA . . . . . . . . . rr_2l2w 1
. 2 . 280 . 1 1 7 . CB C 1.462 -0.645 -4.465 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CB . . . . . . . . . rr_2l2w 1
. 2 . 281 . 1 1 7 . HB H 1.080 -1.179 -5.322 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 HB . . . . . . . . . rr_2l2w 1
. 2 . 282 . 1 1 7 . N N 1.447 0.839 -2.666 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 N . . . . . . . . . rr_2l2w 1
. 2 . 283 . 1 1 7 . O O -1.290 0.243 -4.920 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 O . . . . . . . . . rr_2l2w 1
. 2 . 284 . 1 1 7 . SG S 3.006 -0.805 -3.812 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 SG . . . . . . . . . rr_2l2w 1
. 2 . 285 . 1 1 8 THR C C -2.564 3.559 -2.962 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2l2w 1
. 2 . 286 . 1 1 8 THR CA C -2.492 2.053 -3.193 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2l2w 1
. 2 . 287 . 1 1 8 THR CB C -3.401 1.337 -2.172 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2l2w 1
. 2 . 288 . 1 1 8 THR CG2 C -2.923 1.572 -0.745 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2l2w 1
. 2 . 289 . 1 1 8 THR H H -0.534 1.909 -2.399 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2l2w 1
. 2 . 290 . 1 1 8 THR HA H -2.863 1.835 -4.185 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2l2w 1
. 2 . 291 . 1 1 8 THR HB H -3.375 0.276 -2.374 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2l2w 1
. 2 . 292 . 1 1 8 THR HG1 H -5.338 1.048 -2.417 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2l2w 1
. 2 . 293 . 1 1 8 THR HG21 H -1.867 1.358 -0.679 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2l2w 1
. 2 . 294 . 1 1 8 THR HG22 H -3.463 0.920 -0.074 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2l2w 1
. 2 . 295 . 1 1 8 THR HG23 H -3.102 2.600 -0.467 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2l2w 1
. 2 . 296 . 1 1 8 THR N N -1.115 1.572 -3.112 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2l2w 1
. 2 . 297 . 1 1 8 THR O O -1.575 4.188 -2.583 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2l2w 1
. 2 . 298 . 1 1 8 THR OG1 O -4.751 1.799 -2.306 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2l2w 1
. 2 . 299 . 1 1 9 DBU C C -4.926 5.920 -1.918 . . . 1.0 . . . . . . . . . . . . A . 8 DBU C . . . . . . . . . rr_2l2w 1
. 2 . 300 . 1 1 9 DBU CA C -4.031 5.564 -3.047 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CA . . . . . . . . . rr_2l2w 1
. 2 . 301 . 1 1 9 DBU CB C -3.552 6.512 -3.848 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CB . . . . . . . . . rr_2l2w 1
. 2 . 302 . 1 1 9 DBU CG C -2.625 6.216 -5.036 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CG . . . . . . . . . rr_2l2w 1
. 2 . 303 . 1 1 9 DBU HG1 H -2.399 7.136 -5.554 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG1 . . . . . . . . . rr_2l2w 1
. 2 . 304 . 1 1 9 DBU HG2 H -3.116 5.533 -5.714 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG2 . . . . . . . . . rr_2l2w 1
. 2 . 305 . 1 1 9 DBU HG3 H -1.710 5.770 -4.677 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG3 . . . . . . . . . rr_2l2w 1
. 2 . 306 . 1 1 9 DBU N N -3.741 4.133 -3.191 . . . 1.0 . . . . . . . . . . . . A . 8 DBU N . . . . . . . . . rr_2l2w 1
. 2 . 307 . 1 1 10 . C C -6.213 4.987 1.281 . . . 1.0 . . . . . . . . . . . . A . 9 DCY C . . . . . . . . . rr_2l2w 1
. 2 . 308 . 1 1 10 . CA C -6.280 5.655 -0.078 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CA . . . . . . . . . rr_2l2w 1
. 2 . 309 . 1 1 10 . CB C -5.878 7.122 0.033 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CB . . . . . . . . . rr_2l2w 1
. 2 . 310 . 1 1 10 . HA H -7.299 5.615 -0.427 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HA . . . . . . . . . rr_2l2w 1
. 2 . 311 . 1 1 10 . HB2 H -6.722 7.719 0.365 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB2 . . . . . . . . . rr_2l2w 1
. 2 . 312 . 1 1 10 . HB3 H -5.039 7.240 0.697 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB3 . . . . . . . . . rr_2l2w 1
. 2 . 313 . 1 1 10 . N N -5.417 5.032 -1.095 . . . 1.0 . . . . . . . . . . . . A . 9 DCY N . . . . . . . . . rr_2l2w 1
. 2 . 314 . 1 1 10 . O O -6.260 5.700 2.284 . . . 1.0 . . . . . . . . . . . . A . 9 DCY O . . . . . . . . . rr_2l2w 1
. 2 . 315 . 1 1 10 . SG S -5.383 7.566 -1.634 . . . 1.0 . . . . . . . . . . . . A . 9 DCY SG . . . . . . . . . rr_2l2w 1
. 2 . 316 . 1 1 11 . C C -4.899 3.071 3.390 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 C . . . . . . . . . rr_2l2w 1
. 2 . 317 . 1 1 11 . CA C -6.208 2.945 2.606 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CA . . . . . . . . . rr_2l2w 1
. 2 . 318 . 1 1 11 . CB C -6.597 1.444 2.380 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CB . . . . . . . . . rr_2l2w 1
. 2 . 319 . 1 1 11 . CD1 C -8.490 0.052 1.229 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CD1 . . . . . . . . . rr_2l2w 1
. 2 . 320 . 1 1 11 . CG1 C -7.869 1.423 1.461 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG1 . . . . . . . . . rr_2l2w 1
. 2 . 321 . 1 1 11 . CG2 C -6.875 0.766 3.687 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG2 . . . . . . . . . rr_2l2w 1
. 2 . 322 . 1 1 11 . H H -5.961 3.156 0.509 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 H . . . . . . . . . rr_2l2w 1
. 2 . 323 . 1 1 11 . HA H -6.995 3.420 3.174 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HA . . . . . . . . . rr_2l2w 1
. 2 . 324 . 1 1 11 . HD11 H -7.710 -0.683 1.110 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD11 . . . . . . . . . rr_2l2w 1
. 2 . 325 . 1 1 11 . HD12 H -9.099 0.078 0.337 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD12 . . . . . . . . . rr_2l2w 1
. 2 . 326 . 1 1 11 . HD13 H -9.106 -0.212 2.077 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD13 . . . . . . . . . rr_2l2w 1
. 2 . 327 . 1 1 11 . HD2 H -9.561 2.440 1.493 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD2 . . . . . . . . . rr_2l2w 1
. 2 . 328 . 1 1 11 . HG1 H -7.620 1.844 0.499 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG1 . . . . . . . . . rr_2l2w 1
. 2 . 329 . 1 1 11 . HG21 H -6.009 0.839 4.325 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG21 . . . . . . . . . rr_2l2w 1
. 2 . 330 . 1 1 11 . HG22 H -7.105 -0.275 3.512 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG22 . . . . . . . . . rr_2l2w 1
. 2 . 331 . 1 1 11 . HG23 H -7.717 1.243 4.167 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG23 . . . . . . . . . rr_2l2w 1
. 2 . 332 . 1 1 11 . HG3 H -5.411 1.169 0.847 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG3 . . . . . . . . . rr_2l2w 1
. 2 . 333 . 1 1 11 . N N -6.109 3.661 1.336 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 N . . . . . . . . . rr_2l2w 1
. 2 . 334 . 1 1 11 . OD2 O -8.835 2.270 2.098 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OD2 . . . . . . . . . rr_2l2w 1
. 2 . 335 . 1 1 11 . OG3 O -5.535 0.782 1.717 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OG3 . . . . . . . . . rr_2l2w 1
. 2 . 336 . 1 1 12 . C C -1.414 2.408 3.830 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 C . . . . . . . . . rr_2l2w 1
. 2 . 337 . 1 1 12 . CA C -2.791 2.844 3.949 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CA . . . . . . . . . rr_2l2w 1
. 2 . 338 . 1 1 12 . CB C -3.235 3.625 5.060 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CB . . . . . . . . . rr_2l2w 1
. 2 . 339 . 1 1 12 . HB H -2.619 3.952 5.884 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 HB . . . . . . . . . rr_2l2w 1
. 2 . 340 . 1 1 12 . N N -3.758 2.560 3.044 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 N . . . . . . . . . rr_2l2w 1
. 2 . 341 . 1 1 12 . O O -0.535 2.672 4.650 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 O . . . . . . . . . rr_2l2w 1
. 2 . 342 . 1 1 12 . SG S -4.874 3.946 4.870 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 SG . . . . . . . . . rr_2l2w 1
. 2 . 343 . 1 1 13 THR C C 0.764 1.907 1.254 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_2l2w 1
. 2 . 344 . 1 1 13 THR CA C 0.163 1.182 2.445 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_2l2w 1
. 2 . 345 . 1 1 13 THR CB C 0.186 -0.339 2.206 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_2l2w 1
. 2 . 346 . 1 1 13 THR CG2 C -0.028 -1.093 3.499 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_2l2w 1
. 2 . 347 . 1 1 13 THR H H -1.915 1.476 2.127 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_2l2w 1
. 2 . 348 . 1 1 13 THR HA H 0.777 1.380 3.311 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_2l2w 1
. 2 . 349 . 1 1 13 THR HB H 1.150 -0.619 1.803 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_2l2w 1
. 2 . 350 . 1 1 13 THR HG21 H 0.909 -1.144 4.034 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_2l2w 1
. 2 . 351 . 1 1 13 THR HG22 H -0.374 -2.091 3.280 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_2l2w 1
. 2 . 352 . 1 1 13 THR HG23 H -0.760 -0.577 4.101 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_2l2w 1
. 2 . 353 . 1 1 13 THR N N -1.179 1.680 2.740 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_2l2w 1
. 2 . 354 . 1 1 13 THR OG1 O -0.894 -0.749 1.276 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_2l2w 1
. 2 . 355 . 1 1 14 . C C 3.477 2.160 -1.053 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 C . . . . . . . . . rr_2l2w 1
. 2 . 356 . 1 1 14 . CA C 2.191 2.392 -0.319 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CA . . . . . . . . . rr_2l2w 1
. 2 . 357 . 1 1 14 . CB C 1.206 3.392 -0.600 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CB . . . . . . . . . rr_2l2w 1
. 2 . 358 . 1 1 14 . HB H 1.257 4.126 -1.390 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 HB . . . . . . . . . rr_2l2w 1
. 2 . 359 . 1 1 14 . N N 1.891 1.598 0.720 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 N . . . . . . . . . rr_2l2w 1
. 2 . 360 . 1 1 14 . SG S -0.050 3.228 0.514 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 SG . . . . . . . . . rr_2l2w 1
. 2 . 361 . 1 1 15 . C C 6.642 2.402 0.896 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 C . . . . . . . . . rr_2l2w 1
. 2 . 362 . 1 1 15 . CA C 5.673 1.965 -0.130 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CA . . . . . . . . . rr_2l2w 1
. 2 . 363 . 1 1 15 . CB C 6.131 0.949 -1.089 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CB . . . . . . . . . rr_2l2w 1
. 2 . 364 . 1 1 15 . HB2 H 6.313 0.024 -0.564 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB2 . . . . . . . . . rr_2l2w 1
. 2 . 365 . 1 1 15 . HB3 H 7.052 1.277 -1.552 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB3 . . . . . . . . . rr_2l2w 1
. 2 . 366 . 1 1 15 . N N 4.515 2.526 -0.075 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 N . . . . . . . . . rr_2l2w 1
. 2 . 367 . 1 1 16 . C C 9.887 2.171 2.351 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 C . . . . . . . . . rr_2l2w 1
. 2 . 368 . 1 1 16 . CA C 8.518 2.506 2.016 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CA . . . . . . . . . rr_2l2w 1
. 2 . 369 . 1 1 16 . CB C 7.764 3.476 2.750 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CB . . . . . . . . . rr_2l2w 1
. 2 . 370 . 1 1 16 . HB H 8.119 4.041 3.600 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 HB . . . . . . . . . rr_2l2w 1
. 2 . 371 . 1 1 16 . N N 7.843 1.937 0.991 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 N . . . . . . . . . rr_2l2w 1
. 2 . 372 . 1 1 16 . O O 10.520 2.682 3.275 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 O . . . . . . . . . rr_2l2w 1
. 2 . 373 . 1 1 16 . SG S 6.228 3.591 2.066 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 SG . . . . . . . . . rr_2l2w 1
. 2 . 374 . 1 1 17 DHA C C 11.962 -0.415 0.663 . . . 1.0 . . . . . . . . . . . . A . 16 DHA C . . . . . . . . . rr_2l2w 1
. 2 . 375 . 1 1 17 DHA CA C 11.756 0.673 1.605 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CA . . . . . . . . . rr_2l2w 1
. 2 . 376 . 1 1 17 DHA CB C 12.730 1.080 2.407 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CB . . . . . . . . . rr_2l2w 1
. 2 . 377 . 1 1 17 DHA H H 9.790 0.871 0.864 . . . 1.0 . . . . . . . . . . . . A . 16 DHA H . . . . . . . . . rr_2l2w 1
. 2 . 378 . 1 1 17 DHA HB1 H 12.562 1.889 3.100 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB1 . . . . . . . . . rr_2l2w 1
. 2 . 379 . 1 1 17 DHA HB2 H 13.697 0.602 2.368 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB2 . . . . . . . . . rr_2l2w 1
. 2 . 380 . 1 1 17 DHA N N 10.391 1.230 1.550 . . . 1.0 . . . . . . . . . . . . A . 16 DHA N . . . . . . . . . rr_2l2w 1
. 2 . 381 . 1 1 17 DHA O O 11.004 -0.731 -0.041 . . . 1.0 . . . . . . . . . . . . A . 16 DHA O . . . . . . . . . rr_2l2w 1
. 2 . 382 . 1 1 18 DHA C C 14.935 -2.483 -0.207 . . . 1.0 . . . . . . . . . . . . A . 17 DHA C . . . . . . . . . rr_2l2w 1
. 2 . 383 . 1 1 18 DHA CA C 13.526 -2.133 -0.290 . . . 1.0 . . . . . . . . . . . . A . 17 DHA CA . . . . . . . . . rr_2l2w 1
. 2 . 384 . 1 1 18 DHA CB C 12.706 -2.788 -1.098 . . . 1.0 . . . . . . . . . . . . A . 17 DHA CB . . . . . . . . . rr_2l2w 1
. 2 . 385 . 1 1 18 DHA H H 13.852 -0.665 1.191 . . . 1.0 . . . . . . . . . . . . A . 17 DHA H . . . . . . . . . rr_2l2w 1
. 2 . 386 . 1 1 18 DHA HB1 H 11.662 -2.517 -1.149 . . . 1.0 . . . . . . . . . . . . A . 17 DHA HB1 . . . . . . . . . rr_2l2w 1
. 2 . 387 . 1 1 18 DHA HB2 H 13.081 -3.596 -1.709 . . . 1.0 . . . . . . . . . . . . A . 17 DHA HB2 . . . . . . . . . rr_2l2w 1
. 2 . 388 . 1 1 18 DHA N N 13.156 -1.013 0.596 . . . 1.0 . . . . . . . . . . . . A . 17 DHA N . . . . . . . . . rr_2l2w 1
. 2 . 389 . 1 1 18 DHA O O 15.637 -1.829 0.565 . . . 1.0 . . . . . . . . . . . . A . 17 DHA O . . . . . . . . . rr_2l2w 1
. 2 . 390 . 1 1 19 NH2 HN1 H 16.364 -3.704 -0.893 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN1 . . . . . . . . . rr_2l2w 1
. 2 . 391 . 1 1 19 NH2 HN2 H 14.810 -3.960 -1.551 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN2 . . . . . . . . . rr_2l2w 1
. 2 . 392 . 1 1 19 NH2 N N 15.414 -3.474 -0.952 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 N . . . . . . . . . rr_2l2w 1
. 3 . 393 . 1 1 1 QUA C10 C -3.913 -2.496 -2.247 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C10 . . . . . . . . . rr_2l2w 1
. 3 . 394 . 1 1 1 QUA C11 C -0.583 -1.196 0.036 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C11 . . . . . . . . . rr_2l2w 1
. 3 . 395 . 1 1 1 QUA C13 C -2.414 -2.926 -4.272 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C13 . . . . . . . . . rr_2l2w 1
. 3 . 396 . 1 1 1 QUA C14 C -2.361 -4.445 -4.350 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C14 . . . . . . . . . rr_2l2w 1
. 3 . 397 . 1 1 1 QUA C2 C -1.777 -1.653 -0.746 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C2 . . . . . . . . . rr_2l2w 1
. 3 . 398 . 1 1 1 QUA C3 C -1.555 -2.052 -2.058 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C3 . . . . . . . . . rr_2l2w 1
. 3 . 399 . 1 1 1 QUA C4 C -2.637 -2.482 -2.827 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C4 . . . . . . . . . rr_2l2w 1
. 3 . 400 . 1 1 1 QUA C5 C -5.112 -2.930 -2.983 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C5 . . . . . . . . . rr_2l2w 1
. 3 . 401 . 1 1 1 QUA C6 C -6.215 -3.238 -2.373 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C6 . . . . . . . . . rr_2l2w 1
. 3 . 402 . 1 1 1 QUA C7 C -6.344 -3.173 -0.847 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C7 . . . . . . . . . rr_2l2w 1
. 3 . 403 . 1 1 1 QUA C8 C -5.407 -2.084 -0.253 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C8 . . . . . . . . . rr_2l2w 1
. 3 . 404 . 1 1 1 QUA C9 C -4.040 -2.082 -0.930 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C9 . . . . . . . . . rr_2l2w 1
. 3 . 405 . 1 1 1 QUA H13 H -3.232 -2.584 -4.886 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H13 . . . . . . . . . rr_2l2w 1
. 3 . 406 . 1 1 1 QUA H141 H -2.264 -4.749 -5.382 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H141 . . . . . . . . . rr_2l2w 1
. 3 . 407 . 1 1 1 QUA H142 H -3.269 -4.859 -3.936 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H142 . . . . . . . . . rr_2l2w 1
. 3 . 408 . 1 1 1 QUA H143 H -1.512 -4.805 -3.787 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H143 . . . . . . . . . rr_2l2w 1
. 3 . 409 . 1 1 1 QUA H15 H -0.498 -3.043 -4.728 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H15 . . . . . . . . . rr_2l2w 1
. 3 . 410 . 1 1 1 QUA H16 H -5.870 -0.464 -1.279 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H16 . . . . . . . . . rr_2l2w 1
. 3 . 411 . 1 1 1 QUA HC3 H -0.561 -2.028 -2.477 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC3 . . . . . . . . . rr_2l2w 1
. 3 . 412 . 1 1 1 QUA HC5 H -5.076 -2.992 -4.060 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC5 . . . . . . . . . rr_2l2w 1
. 3 . 413 . 1 1 1 QUA HC6 H -7.068 -3.548 -2.957 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC6 . . . . . . . . . rr_2l2w 1
. 3 . 414 . 1 1 1 QUA HC71 H -7.362 -2.944 -0.578 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC71 . . . . . . . . . rr_2l2w 1
. 3 . 415 . 1 1 1 QUA HC8 H -5.282 -2.287 0.801 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC8 . . . . . . . . . rr_2l2w 1
. 3 . 416 . 1 1 1 QUA N1 N -3.003 -1.657 -0.156 . . . 1.0 . . . . . . . . . . . . A . 0 QUA N1 . . . . . . . . . rr_2l2w 1
. 3 . 417 . 1 1 1 QUA O12 O 0.560 -1.201 -0.425 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O12 . . . . . . . . . rr_2l2w 1
. 3 . 418 . 1 1 1 QUA O15 O -1.194 -2.386 -4.796 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O15 . . . . . . . . . rr_2l2w 1
. 3 . 419 . 1 1 1 QUA O16 O -6.030 -0.802 -0.395 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O16 . . . . . . . . . rr_2l2w 1
. 3 . 420 . 1 1 2 ILE C C -5.095 -4.951 1.931 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2l2w 1
. 3 . 421 . 1 1 2 ILE CA C -6.346 -4.737 1.101 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2l2w 1
. 3 . 422 . 1 1 2 ILE CB C -7.302 -5.932 1.298 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2l2w 1
. 3 . 423 . 1 1 2 ILE CD1 C -7.565 -8.435 0.859 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2l2w 1
. 3 . 424 . 1 1 2 ILE CG1 C -6.748 -7.185 0.606 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2l2w 1
. 3 . 425 . 1 1 2 ILE CG2 C -8.686 -5.586 0.767 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2l2w 1
. 3 . 426 . 1 1 2 ILE H H -5.057 -4.710 -0.477 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H . . . . . . . . . rr_2l2w 1
. 3 . 427 . 1 1 2 ILE HA H -6.836 -3.849 1.458 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2l2w 1
. 3 . 428 . 1 1 2 ILE HB H -7.389 -6.124 2.358 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2l2w 1
. 3 . 429 . 1 1 2 ILE HD11 H -7.722 -8.554 1.921 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2l2w 1
. 3 . 430 . 1 1 2 ILE HD12 H -7.037 -9.295 0.475 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2l2w 1
. 3 . 431 . 1 1 2 ILE HD13 H -8.520 -8.348 0.361 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2l2w 1
. 3 . 432 . 1 1 2 ILE HG12 H -6.726 -7.018 -0.461 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2l2w 1
. 3 . 433 . 1 1 2 ILE HG13 H -5.744 -7.370 0.956 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2l2w 1
. 3 . 434 . 1 1 2 ILE HG21 H -9.009 -4.645 1.188 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2l2w 1
. 3 . 435 . 1 1 2 ILE HG22 H -9.385 -6.361 1.044 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2l2w 1
. 3 . 436 . 1 1 2 ILE HG23 H -8.648 -5.503 -0.309 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2l2w 1
. 3 . 437 . 1 1 2 ILE N N -6.012 -4.540 -0.341 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2l2w 1
. 3 . 438 . 1 1 2 ILE O O -5.126 -4.850 3.157 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2l2w 1
. 3 . 439 . 1 1 3 ALA C C -1.586 -5.623 0.934 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2l2w 1
. 3 . 440 . 1 1 3 ALA CA C -2.737 -5.538 1.930 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2l2w 1
. 3 . 441 . 1 1 3 ALA CB C -2.873 -6.831 2.713 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2l2w 1
. 3 . 442 . 1 1 3 ALA H H -4.019 -5.258 0.274 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2l2w 1
. 3 . 443 . 1 1 3 ALA HA H -2.539 -4.739 2.629 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2l2w 1
. 3 . 444 . 1 1 3 ALA HB1 H -2.971 -7.657 2.026 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2l2w 1
. 3 . 445 . 1 1 3 ALA HB2 H -3.756 -6.777 3.337 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2l2w 1
. 3 . 446 . 1 1 3 ALA HB3 H -2.001 -6.974 3.331 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2l2w 1
. 3 . 447 . 1 1 3 ALA N N -3.990 -5.241 1.253 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2l2w 1
. 3 . 448 . 1 1 3 ALA O O -1.666 -6.352 -0.055 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2l2w 1
. 3 . 449 . 1 1 4 DHA C C 1.617 -3.748 0.933 . . . 1.0 . . . . . . . . . . . . A . 3 DHA C . . . . . . . . . rr_2l2w 1
. 3 . 450 . 1 1 4 DHA CA C 0.647 -4.650 0.343 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CA . . . . . . . . . rr_2l2w 1
. 3 . 451 . 1 1 4 DHA CB C 0.835 -5.166 -0.864 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CB . . . . . . . . . rr_2l2w 1
. 3 . 452 . 1 1 4 DHA H H -0.509 -4.436 2.091 . . . 1.0 . . . . . . . . . . . . A . 3 DHA H . . . . . . . . . rr_2l2w 1
. 3 . 453 . 1 1 4 DHA HB1 H 0.098 -5.820 -1.298 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB1 . . . . . . . . . rr_2l2w 1
. 3 . 454 . 1 1 4 DHA HB2 H 1.727 -4.918 -1.422 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB2 . . . . . . . . . rr_2l2w 1
. 3 . 455 . 1 1 4 DHA N N -0.518 -4.876 1.215 . . . 1.0 . . . . . . . . . . . . A . 3 DHA N . . . . . . . . . rr_2l2w 1
. 3 . 456 . 1 1 4 DHA O O 1.365 -3.301 2.051 . . . 1.0 . . . . . . . . . . . . A . 3 DHA O . . . . . . . . . rr_2l2w 1
. 3 . 457 . 1 1 5 ALA C C 3.983 -1.490 -0.475 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_2l2w 1
. 3 . 458 . 1 1 5 ALA CA C 3.614 -2.383 0.701 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_2l2w 1
. 3 . 459 . 1 1 5 ALA CB C 4.855 -2.982 1.340 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_2l2w 1
. 3 . 460 . 1 1 5 ALA H H 2.928 -3.932 -0.560 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_2l2w 1
. 3 . 461 . 1 1 5 ALA HA H 3.099 -1.789 1.444 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_2l2w 1
. 3 . 462 . 1 1 5 ALA HB1 H 5.407 -3.540 0.600 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . rr_2l2w 1
. 3 . 463 . 1 1 5 ALA HB2 H 4.561 -3.642 2.144 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_2l2w 1
. 3 . 464 . 1 1 5 ALA HB3 H 5.476 -2.191 1.733 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_2l2w 1
. 3 . 465 . 1 1 5 ALA N N 2.714 -3.437 0.258 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_2l2w 1
. 3 . 466 . 1 1 5 ALA O O 4.600 -1.953 -1.433 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_2l2w 1
. 3 . 467 . 1 1 6 SER C C 2.677 0.356 -2.588 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2l2w 1
. 3 . 468 . 1 1 6 SER CA C 3.691 0.706 -1.601 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2l2w 1
. 3 . 469 . 1 1 6 SER CB C 5.131 0.716 -2.194 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2l2w 1
. 3 . 470 . 1 1 6 SER H H 3.204 0.117 0.446 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2l2w 1
. 3 . 471 . 1 1 6 SER HB2 H 5.352 -0.239 -2.643 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2l2w 1
. 3 . 472 . 1 1 6 SER HB3 H 5.205 1.490 -2.944 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2l2w 1
. 3 . 473 . 1 1 6 SER N N 3.587 -0.214 -0.401 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2l2w 1
. 3 . 474 . 1 1 7 . C C -0.598 0.670 -3.982 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 C . . . . . . . . . rr_2l2w 1
. 3 . 475 . 1 1 7 . CA C 0.773 0.299 -3.687 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CA . . . . . . . . . rr_2l2w 1
. 3 . 476 . 1 1 7 . CB C 1.493 -0.667 -4.452 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CB . . . . . . . . . rr_2l2w 1
. 3 . 477 . 1 1 7 . HB H 1.113 -1.210 -5.305 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 HB . . . . . . . . . rr_2l2w 1
. 3 . 478 . 1 1 7 . N N 1.475 0.833 -2.666 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 N . . . . . . . . . rr_2l2w 1
. 3 . 479 . 1 1 7 . O O -1.256 0.229 -4.925 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 O . . . . . . . . . rr_2l2w 1
. 3 . 480 . 1 1 7 . SG S 3.038 -0.819 -3.797 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 SG . . . . . . . . . rr_2l2w 1
. 3 . 481 . 1 1 8 THR C C -2.508 3.545 -2.951 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2l2w 1
. 3 . 482 . 1 1 8 THR CA C -2.460 2.038 -3.191 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2l2w 1
. 3 . 483 . 1 1 8 THR CB C -3.386 1.332 -2.177 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2l2w 1
. 3 . 484 . 1 1 8 THR CG2 C -2.906 1.549 -0.747 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2l2w 1
. 3 . 485 . 1 1 8 THR H H -0.518 1.851 -2.370 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2l2w 1
. 3 . 486 . 1 1 8 THR HA H -2.828 1.831 -4.186 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2l2w 1
. 3 . 487 . 1 1 8 THR HB H -3.377 0.273 -2.385 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2l2w 1
. 3 . 488 . 1 1 8 THR HG1 H -5.341 1.083 -2.272 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2l2w 1
. 3 . 489 . 1 1 8 THR HG21 H -1.853 1.323 -0.682 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2l2w 1
. 3 . 490 . 1 1 8 THR HG22 H -3.456 0.897 -0.082 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2l2w 1
. 3 . 491 . 1 1 8 THR HG23 H -3.074 2.577 -0.461 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2l2w 1
. 3 . 492 . 1 1 8 THR N N -1.091 1.538 -3.101 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2l2w 1
. 3 . 493 . 1 1 8 THR O O -1.509 4.153 -2.568 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2l2w 1
. 3 . 494 . 1 1 8 THR OG1 O -4.727 1.819 -2.313 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2l2w 1
. 3 . 495 . 1 1 9 DBU C C -4.883 5.914 -1.916 . . . 1.0 . . . . . . . . . . . . A . 8 DBU C . . . . . . . . . rr_2l2w 1
. 3 . 496 . 1 1 9 DBU CA C -3.941 5.572 -3.010 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CA . . . . . . . . . rr_2l2w 1
. 3 . 497 . 1 1 9 DBU CB C -3.406 6.532 -3.762 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CB . . . . . . . . . rr_2l2w 1
. 3 . 498 . 1 1 9 DBU CG C -2.427 6.248 -4.912 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CG . . . . . . . . . rr_2l2w 1
. 3 . 499 . 1 1 9 DBU HG1 H -2.156 7.178 -5.390 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG1 . . . . . . . . . rr_2l2w 1
. 3 . 500 . 1 1 9 DBU HG2 H -2.897 5.596 -5.632 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG2 . . . . . . . . . rr_2l2w 1
. 3 . 501 . 1 1 9 DBU HG3 H -1.539 5.773 -4.521 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG3 . . . . . . . . . rr_2l2w 1
. 3 . 502 . 1 1 9 DBU N N -3.674 4.140 -3.179 . . . 1.0 . . . . . . . . . . . . A . 8 DBU N . . . . . . . . . rr_2l2w 1
. 3 . 503 . 1 1 10 . C C -6.260 4.963 1.238 . . . 1.0 . . . . . . . . . . . . A . 9 DCY C . . . . . . . . . rr_2l2w 1
. 3 . 504 . 1 1 10 . CA C -6.304 5.620 -0.128 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CA . . . . . . . . . rr_2l2w 1
. 3 . 505 . 1 1 10 . CB C -5.955 7.103 -0.013 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CB . . . . . . . . . rr_2l2w 1
. 3 . 506 . 1 1 10 . HA H -7.311 5.544 -0.508 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HA . . . . . . . . . rr_2l2w 1
. 3 . 507 . 1 1 10 . HB2 H -6.835 7.675 0.265 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB2 . . . . . . . . . rr_2l2w 1
. 3 . 508 . 1 1 10 . HB3 H -5.160 7.255 0.696 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB3 . . . . . . . . . rr_2l2w 1
. 3 . 509 . 1 1 10 . N N -5.391 5.017 -1.111 . . . 1.0 . . . . . . . . . . . . A . 9 DCY N . . . . . . . . . rr_2l2w 1
. 3 . 510 . 1 1 10 . O O -6.356 5.681 2.235 . . . 1.0 . . . . . . . . . . . . A . 9 DCY O . . . . . . . . . rr_2l2w 1
. 3 . 511 . 1 1 10 . SG S -5.381 7.551 -1.655 . . . 1.0 . . . . . . . . . . . . A . 9 DCY SG . . . . . . . . . rr_2l2w 1
. 3 . 512 . 1 1 11 . C C -4.931 3.038 3.366 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 C . . . . . . . . . rr_2l2w 1
. 3 . 513 . 1 1 11 . CA C -6.238 2.931 2.578 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CA . . . . . . . . . rr_2l2w 1
. 3 . 514 . 1 1 11 . CB C -6.654 1.435 2.361 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CB . . . . . . . . . rr_2l2w 1
. 3 . 515 . 1 1 11 . CD1 C -8.591 0.075 1.242 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CD1 . . . . . . . . . rr_2l2w 1
. 3 . 516 . 1 1 11 . CG1 C -7.936 1.433 1.453 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG1 . . . . . . . . . rr_2l2w 1
. 3 . 517 . 1 1 11 . CG2 C -6.930 0.767 3.673 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG2 . . . . . . . . . rr_2l2w 1
. 3 . 518 . 1 1 11 . H H -5.941 3.133 0.487 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 H . . . . . . . . . rr_2l2w 1
. 3 . 519 . 1 1 11 . HA H -7.018 3.423 3.143 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HA . . . . . . . . . rr_2l2w 1
. 3 . 520 . 1 1 11 . HD11 H -9.276 0.131 0.408 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD11 . . . . . . . . . rr_2l2w 1
. 3 . 521 . 1 1 11 . HD12 H -9.133 -0.207 2.133 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD12 . . . . . . . . . rr_2l2w 1
. 3 . 522 . 1 1 11 . HD13 H -7.832 -0.664 1.036 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD13 . . . . . . . . . rr_2l2w 1
. 3 . 523 . 1 1 11 . HD2 H -9.769 2.059 1.834 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD2 . . . . . . . . . rr_2l2w 1
. 3 . 524 . 1 1 11 . HG1 H -7.687 1.840 0.485 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG1 . . . . . . . . . rr_2l2w 1
. 3 . 525 . 1 1 11 . HG21 H -7.728 1.287 4.182 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG21 . . . . . . . . . rr_2l2w 1
. 3 . 526 . 1 1 11 . HG22 H -6.040 0.790 4.284 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG22 . . . . . . . . . rr_2l2w 1
. 3 . 527 . 1 1 11 . HG23 H -7.221 -0.258 3.505 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG23 . . . . . . . . . rr_2l2w 1
. 3 . 528 . 1 1 11 . HG3 H -5.167 1.358 1.090 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG3 . . . . . . . . . rr_2l2w 1
. 3 . 529 . 1 1 11 . N N -6.123 3.640 1.306 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 N . . . . . . . . . rr_2l2w 1
. 3 . 530 . 1 1 11 . OD2 O -8.878 2.308 2.090 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OD2 . . . . . . . . . rr_2l2w 1
. 3 . 531 . 1 1 11 . OG3 O -5.610 0.754 1.691 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OG3 . . . . . . . . . rr_2l2w 1
. 3 . 532 . 1 1 12 . C C -1.443 2.367 3.804 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 C . . . . . . . . . rr_2l2w 1
. 3 . 533 . 1 1 12 . CA C -2.823 2.800 3.925 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CA . . . . . . . . . rr_2l2w 1
. 3 . 534 . 1 1 12 . CB C -3.270 3.559 5.050 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CB . . . . . . . . . rr_2l2w 1
. 3 . 535 . 1 1 12 . HB H -2.657 3.871 5.882 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 HB . . . . . . . . . rr_2l2w 1
. 3 . 536 . 1 1 12 . N N -3.788 2.535 3.012 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 N . . . . . . . . . rr_2l2w 1
. 3 . 537 . 1 1 12 . O O -0.568 2.624 4.632 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 O . . . . . . . . . rr_2l2w 1
. 3 . 538 . 1 1 12 . SG S -4.909 3.885 4.862 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 SG . . . . . . . . . rr_2l2w 1
. 3 . 539 . 1 1 13 THR C C 0.757 1.888 1.238 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_2l2w 1
. 3 . 540 . 1 1 13 THR CA C 0.146 1.156 2.419 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_2l2w 1
. 3 . 541 . 1 1 13 THR CB C 0.175 -0.365 2.173 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_2l2w 1
. 3 . 542 . 1 1 13 THR CG2 C -0.016 -1.125 3.467 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_2l2w 1
. 3 . 543 . 1 1 13 THR H H -1.930 1.454 2.086 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_2l2w 1
. 3 . 544 . 1 1 13 THR HA H 0.753 1.349 3.290 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_2l2w 1
. 3 . 545 . 1 1 13 THR HB H 1.134 -0.639 1.755 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_2l2w 1
. 3 . 546 . 1 1 13 THR HG21 H 0.929 -1.171 3.988 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_2l2w 1
. 3 . 547 . 1 1 13 THR HG22 H -0.360 -2.124 3.250 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_2l2w 1
. 3 . 548 . 1 1 13 THR HG23 H -0.743 -0.615 4.081 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_2l2w 1
. 3 . 549 . 1 1 13 THR N N -1.199 1.651 2.707 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_2l2w 1
. 3 . 550 . 1 1 13 THR OG1 O -0.918 -0.776 1.256 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_2l2w 1
. 3 . 551 . 1 1 14 . C C 3.488 2.163 -1.045 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 C . . . . . . . . . rr_2l2w 1
. 3 . 552 . 1 1 14 . CA C 2.198 2.387 -0.320 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CA . . . . . . . . . rr_2l2w 1
. 3 . 553 . 1 1 14 . CB C 1.215 3.390 -0.599 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CB . . . . . . . . . rr_2l2w 1
. 3 . 554 . 1 1 14 . HB H 1.274 4.131 -1.383 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 HB . . . . . . . . . rr_2l2w 1
. 3 . 555 . 1 1 14 . N N 1.889 1.584 0.710 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 N . . . . . . . . . rr_2l2w 1
. 3 . 556 . 1 1 14 . SG S -0.049 3.217 0.503 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 SG . . . . . . . . . rr_2l2w 1
. 3 . 557 . 1 1 15 . C C 6.645 2.417 0.914 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 C . . . . . . . . . rr_2l2w 1
. 3 . 558 . 1 1 15 . CA C 5.682 1.985 -0.122 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CA . . . . . . . . . rr_2l2w 1
. 3 . 559 . 1 1 15 . CB C 6.157 0.992 -1.098 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CB . . . . . . . . . rr_2l2w 1
. 3 . 560 . 1 1 15 . HB2 H 6.367 0.068 -0.585 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB2 . . . . . . . . . rr_2l2w 1
. 3 . 561 . 1 1 15 . HB3 H 7.065 1.349 -1.565 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB3 . . . . . . . . . rr_2l2w 1
. 3 . 562 . 1 1 15 . N N 4.517 2.528 -0.059 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 N . . . . . . . . . rr_2l2w 1
. 3 . 563 . 1 1 16 . C C 9.898 2.206 2.351 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 C . . . . . . . . . rr_2l2w 1
. 3 . 564 . 1 1 16 . CA C 8.522 2.527 2.031 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CA . . . . . . . . . rr_2l2w 1
. 3 . 565 . 1 1 16 . CB C 7.753 3.464 2.792 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CB . . . . . . . . . rr_2l2w 1
. 3 . 566 . 1 1 16 . HB H 8.101 4.012 3.655 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 HB . . . . . . . . . rr_2l2w 1
. 3 . 567 . 1 1 16 . N N 7.855 1.973 0.994 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 N . . . . . . . . . rr_2l2w 1
. 3 . 568 . 1 1 16 . O O 10.525 2.694 3.291 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 O . . . . . . . . . rr_2l2w 1
. 3 . 569 . 1 1 16 . SG S 6.212 3.567 2.116 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 SG . . . . . . . . . rr_2l2w 1
. 3 . 570 . 1 1 17 DHA C C 12.109 -0.041 0.381 . . . 1.0 . . . . . . . . . . . . A . 16 DHA C . . . . . . . . . rr_2l2w 1
. 3 . 571 . 1 1 17 DHA CA C 11.785 0.760 1.550 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CA . . . . . . . . . rr_2l2w 1
. 3 . 572 . 1 1 17 DHA CB C 12.664 0.936 2.526 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CB . . . . . . . . . rr_2l2w 1
. 3 . 573 . 1 1 17 DHA H H 9.844 1.028 0.766 . . . 1.0 . . . . . . . . . . . . A . 16 DHA H . . . . . . . . . rr_2l2w 1
. 3 . 574 . 1 1 17 DHA HB1 H 12.408 1.534 3.386 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB1 . . . . . . . . . rr_2l2w 1
. 3 . 575 . 1 1 17 DHA HB2 H 13.640 0.480 2.461 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB2 . . . . . . . . . rr_2l2w 1
. 3 . 576 . 1 1 17 DHA N N 10.422 1.322 1.500 . . . 1.0 . . . . . . . . . . . . A . 16 DHA N . . . . . . . . . rr_2l2w 1
. 3 . 577 . 1 1 17 DHA O O 11.235 -0.149 -0.479 . . . 1.0 . . . . . . . . . . . . A . 16 DHA O . . . . . . . . . rr_2l2w 1
. 3 . 578 . 1 1 18 DHA C C 15.147 -1.952 -0.613 . . . 1.0 . . . . . . . . . . . . A . 17 DHA C . . . . . . . . . rr_2l2w 1
. 3 . 579 . 1 1 18 DHA CA C 13.802 -1.443 -0.829 . . . 1.0 . . . . . . . . . . . . A . 17 DHA CA . . . . . . . . . rr_2l2w 1
. 3 . 580 . 1 1 18 DHA CB C 13.133 -1.729 -1.937 . . . 1.0 . . . . . . . . . . . . A . 17 DHA CB . . . . . . . . . rr_2l2w 1
. 3 . 581 . 1 1 18 DHA H H 13.923 -0.471 1.039 . . . 1.0 . . . . . . . . . . . . A . 17 DHA H . . . . . . . . . rr_2l2w 1
. 3 . 582 . 1 1 18 DHA HB1 H 12.136 -1.345 -2.085 . . . 1.0 . . . . . . . . . . . . A . 17 DHA HB1 . . . . . . . . . rr_2l2w 1
. 3 . 583 . 1 1 18 DHA HB2 H 13.587 -2.348 -2.697 . . . 1.0 . . . . . . . . . . . . A . 17 DHA HB2 . . . . . . . . . rr_2l2w 1
. 3 . 584 . 1 1 18 DHA N N 13.311 -0.615 0.288 . . . 1.0 . . . . . . . . . . . . A . 17 DHA N . . . . . . . . . rr_2l2w 1
. 3 . 585 . 1 1 18 DHA O O 15.707 -1.648 0.440 . . . 1.0 . . . . . . . . . . . . A . 17 DHA O . . . . . . . . . rr_2l2w 1
. 3 . 586 . 1 1 19 NH2 HN1 H 16.625 -3.054 -1.390 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN1 . . . . . . . . . rr_2l2w 1
. 3 . 587 . 1 1 19 NH2 HN2 H 15.227 -2.925 -2.360 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN2 . . . . . . . . . rr_2l2w 1
. 3 . 588 . 1 1 19 NH2 N N 15.718 -2.714 -1.539 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 N . . . . . . . . . rr_2l2w 1
. 4 . 589 . 1 1 1 QUA C10 C -3.861 -2.524 -2.253 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C10 . . . . . . . . . rr_2l2w 1
. 4 . 590 . 1 1 1 QUA C11 C -0.564 -1.203 0.063 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C11 . . . . . . . . . rr_2l2w 1
. 4 . 591 . 1 1 1 QUA C13 C -2.342 -2.926 -4.267 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C13 . . . . . . . . . rr_2l2w 1
. 4 . 592 . 1 1 1 QUA C14 C -2.288 -4.445 -4.354 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C14 . . . . . . . . . rr_2l2w 1
. 4 . 593 . 1 1 1 QUA C2 C -1.746 -1.667 -0.730 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C2 . . . . . . . . . rr_2l2w 1
. 4 . 594 . 1 1 1 QUA C3 C -1.510 -2.056 -2.042 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C3 . . . . . . . . . rr_2l2w 1
. 4 . 595 . 1 1 1 QUA C4 C -2.580 -2.492 -2.822 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C4 . . . . . . . . . rr_2l2w 1
. 4 . 596 . 1 1 1 QUA C5 C -5.048 -2.965 -3.001 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C5 . . . . . . . . . rr_2l2w 1
. 4 . 597 . 1 1 1 QUA C6 C -6.157 -3.279 -2.405 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C6 . . . . . . . . . rr_2l2w 1
. 4 . 598 . 1 1 1 QUA C7 C -6.308 -3.220 -0.881 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C7 . . . . . . . . . rr_2l2w 1
. 4 . 599 . 1 1 1 QUA C8 C -5.373 -2.139 -0.265 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C8 . . . . . . . . . rr_2l2w 1
. 4 . 600 . 1 1 1 QUA C9 C -4.003 -2.120 -0.934 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C9 . . . . . . . . . rr_2l2w 1
. 4 . 601 . 1 1 1 QUA H13 H -3.153 -2.581 -4.888 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H13 . . . . . . . . . rr_2l2w 1
. 4 . 602 . 1 1 1 QUA H141 H -1.540 -4.818 -3.671 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H141 . . . . . . . . . rr_2l2w 1
. 4 . 603 . 1 1 1 QUA H142 H -2.034 -4.739 -5.361 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H142 . . . . . . . . . rr_2l2w 1
. 4 . 604 . 1 1 1 QUA H143 H -3.253 -4.856 -4.092 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H143 . . . . . . . . . rr_2l2w 1
. 4 . 605 . 1 1 1 QUA H15 H -0.473 -3.088 -4.882 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H15 . . . . . . . . . rr_2l2w 1
. 4 . 606 . 1 1 1 QUA H16 H -5.737 -0.450 -1.217 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H16 . . . . . . . . . rr_2l2w 1
. 4 . 607 . 1 1 1 QUA HC3 H -0.512 -2.019 -2.452 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC3 . . . . . . . . . rr_2l2w 1
. 4 . 608 . 1 1 1 QUA HC5 H -5.001 -3.025 -4.078 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC5 . . . . . . . . . rr_2l2w 1
. 4 . 609 . 1 1 1 QUA HC6 H -7.000 -3.594 -3.002 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC6 . . . . . . . . . rr_2l2w 1
. 4 . 610 . 1 1 1 QUA HC71 H -7.329 -2.985 -0.627 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC71 . . . . . . . . . rr_2l2w 1
. 4 . 611 . 1 1 1 QUA HC8 H -5.253 -2.361 0.786 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC8 . . . . . . . . . rr_2l2w 1
. 4 . 612 . 1 1 1 QUA N1 N -2.977 -1.689 -0.150 . . . 1.0 . . . . . . . . . . . . A . 0 QUA N1 . . . . . . . . . rr_2l2w 1
. 4 . 613 . 1 1 1 QUA O12 O 0.582 -1.192 -0.388 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O12 . . . . . . . . . rr_2l2w 1
. 4 . 614 . 1 1 1 QUA O15 O -1.115 -2.383 -4.774 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O15 . . . . . . . . . rr_2l2w 1
. 4 . 615 . 1 1 1 QUA O16 O -5.998 -0.857 -0.387 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O16 . . . . . . . . . rr_2l2w 1
. 4 . 616 . 1 1 2 ILE C C -5.107 -5.067 1.892 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2l2w 1
. 4 . 617 . 1 1 2 ILE CA C -6.345 -4.792 1.059 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2l2w 1
. 4 . 618 . 1 1 2 ILE CB C -7.348 -5.952 1.234 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2l2w 1
. 4 . 619 . 1 1 2 ILE CD1 C -7.752 -8.408 0.655 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2l2w 1
. 4 . 620 . 1 1 2 ILE CG1 C -6.889 -7.181 0.439 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2l2w 1
. 4 . 621 . 1 1 2 ILE CG2 C -8.739 -5.512 0.800 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2l2w 1
. 4 . 622 . 1 1 2 ILE H H -5.040 -4.771 -0.507 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H . . . . . . . . . rr_2l2w 1
. 4 . 623 . 1 1 2 ILE HA H -6.802 -3.892 1.425 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2l2w 1
. 4 . 624 . 1 1 2 ILE HB H -7.390 -6.206 2.283 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2l2w 1
. 4 . 625 . 1 1 2 ILE HD11 H -7.844 -8.601 1.714 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2l2w 1
. 4 . 626 . 1 1 2 ILE HD12 H -7.293 -9.259 0.174 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2l2w 1
. 4 . 627 . 1 1 2 ILE HD13 H -8.732 -8.241 0.232 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2l2w 1
. 4 . 628 . 1 1 2 ILE HG12 H -6.911 -6.947 -0.615 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2l2w 1
. 4 . 629 . 1 1 2 ILE HG13 H -5.879 -7.432 0.726 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2l2w 1
. 4 . 630 . 1 1 2 ILE HG21 H -8.754 -5.366 -0.269 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2l2w 1
. 4 . 631 . 1 1 2 ILE HG22 H -8.992 -4.584 1.292 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2l2w 1
. 4 . 632 . 1 1 2 ILE HG23 H -9.459 -6.270 1.071 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2l2w 1
. 4 . 633 . 1 1 2 ILE N N -5.994 -4.590 -0.377 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2l2w 1
. 4 . 634 . 1 1 2 ILE O O -5.157 -5.045 3.122 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2l2w 1
. 4 . 635 . 1 1 3 ALA C C -1.590 -5.709 0.897 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2l2w 1
. 4 . 636 . 1 1 3 ALA CA C -2.749 -5.659 1.886 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2l2w 1
. 4 . 637 . 1 1 3 ALA CB C -2.904 -6.986 2.604 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2l2w 1
. 4 . 638 . 1 1 3 ALA H H -4.009 -5.271 0.235 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2l2w 1
. 4 . 639 . 1 1 3 ALA HA H -2.548 -4.897 2.625 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2l2w 1
. 4 . 640 . 1 1 3 ALA HB1 H -3.802 -6.963 3.206 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2l2w 1
. 4 . 641 . 1 1 3 ALA HB2 H -2.048 -7.156 3.239 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2l2w 1
. 4 . 642 . 1 1 3 ALA HB3 H -2.980 -7.781 1.878 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2l2w 1
. 4 . 643 . 1 1 3 ALA N N -3.993 -5.317 1.213 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2l2w 1
. 4 . 644 . 1 1 3 ALA O O -1.637 -6.448 -0.086 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2l2w 1
. 4 . 645 . 1 1 4 DHA C C 1.577 -3.770 0.924 . . . 1.0 . . . . . . . . . . . . A . 3 DHA C . . . . . . . . . rr_2l2w 1
. 4 . 646 . 1 1 4 DHA CA C 0.623 -4.686 0.325 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CA . . . . . . . . . rr_2l2w 1
. 4 . 647 . 1 1 4 DHA CB C 0.838 -5.206 -0.875 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CB . . . . . . . . . rr_2l2w 1
. 4 . 648 . 1 1 4 DHA H H -0.574 -4.458 2.042 . . . 1.0 . . . . . . . . . . . . A . 3 DHA H . . . . . . . . . rr_2l2w 1
. 4 . 649 . 1 1 4 DHA HB1 H 0.115 -5.872 -1.317 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB1 . . . . . . . . . rr_2l2w 1
. 4 . 650 . 1 1 4 DHA HB2 H 1.735 -4.952 -1.419 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB2 . . . . . . . . . rr_2l2w 1
. 4 . 651 . 1 1 4 DHA N N -0.551 -4.921 1.178 . . . 1.0 . . . . . . . . . . . . A . 3 DHA N . . . . . . . . . rr_2l2w 1
. 4 . 652 . 1 1 4 DHA O O 1.306 -3.321 2.036 . . . 1.0 . . . . . . . . . . . . A . 3 DHA O . . . . . . . . . rr_2l2w 1
. 4 . 653 . 1 1 5 ALA C C 3.960 -1.505 -0.450 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_2l2w 1
. 4 . 654 . 1 1 5 ALA CA C 3.572 -2.399 0.719 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_2l2w 1
. 4 . 655 . 1 1 5 ALA CB C 4.802 -3.000 1.379 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_2l2w 1
. 4 . 656 . 1 1 5 ALA H H 2.901 -3.942 -0.557 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_2l2w 1
. 4 . 657 . 1 1 5 ALA HA H 3.046 -1.806 1.455 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_2l2w 1
. 4 . 658 . 1 1 5 ALA HB1 H 5.414 -2.211 1.788 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . rr_2l2w 1
. 4 . 659 . 1 1 5 ALA HB2 H 5.370 -3.554 0.646 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_2l2w 1
. 4 . 660 . 1 1 5 ALA HB3 H 4.492 -3.665 2.173 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_2l2w 1
. 4 . 661 . 1 1 5 ALA N N 2.679 -3.453 0.262 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_2l2w 1
. 4 . 662 . 1 1 5 ALA O O 4.604 -1.963 -1.393 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_2l2w 1
. 4 . 663 . 1 1 6 SER C C 2.643 0.341 -2.571 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2l2w 1
. 4 . 664 . 1 1 6 SER CA C 3.657 0.688 -1.586 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2l2w 1
. 4 . 665 . 1 1 6 SER CB C 5.095 0.699 -2.185 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2l2w 1
. 4 . 666 . 1 1 6 SER H H 3.160 0.098 0.460 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2l2w 1
. 4 . 667 . 1 1 6 SER HB2 H 5.318 -0.257 -2.628 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2l2w 1
. 4 . 668 . 1 1 6 SER HB3 H 5.163 1.467 -2.942 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2l2w 1
. 4 . 669 . 1 1 6 SER N N 3.552 -0.232 -0.383 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2l2w 1
. 4 . 670 . 1 1 7 . C C -0.625 0.677 -3.979 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 C . . . . . . . . . rr_2l2w 1
. 4 . 671 . 1 1 7 . CA C 0.741 0.296 -3.676 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CA . . . . . . . . . rr_2l2w 1
. 4 . 672 . 1 1 7 . CB C 1.456 -0.680 -4.434 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CB . . . . . . . . . rr_2l2w 1
. 4 . 673 . 1 1 7 . HB H 1.073 -1.223 -5.286 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 HB . . . . . . . . . rr_2l2w 1
. 4 . 674 . 1 1 7 . N N 1.446 0.829 -2.656 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 N . . . . . . . . . rr_2l2w 1
. 4 . 675 . 1 1 7 . O O -1.283 0.235 -4.920 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 O . . . . . . . . . rr_2l2w 1
. 4 . 676 . 1 1 7 . SG S 2.996 -0.842 -3.774 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 SG . . . . . . . . . rr_2l2w 1
. 4 . 677 . 1 1 8 THR C C -2.530 3.566 -2.971 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2l2w 1
. 4 . 678 . 1 1 8 THR CA C -2.482 2.057 -3.199 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2l2w 1
. 4 . 679 . 1 1 8 THR CB C -3.410 1.359 -2.181 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2l2w 1
. 4 . 680 . 1 1 8 THR CG2 C -2.913 1.559 -0.753 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2l2w 1
. 4 . 681 . 1 1 8 THR H H -0.538 1.880 -2.383 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2l2w 1
. 4 . 682 . 1 1 8 THR HA H -2.851 1.844 -4.192 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2l2w 1
. 4 . 683 . 1 1 8 THR HB H -3.420 0.301 -2.396 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2l2w 1
. 4 . 684 . 1 1 8 THR HG1 H -5.020 1.831 -3.218 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2l2w 1
. 4 . 685 . 1 1 8 THR HG21 H -1.866 1.300 -0.696 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2l2w 1
. 4 . 686 . 1 1 8 THR HG22 H -3.475 0.924 -0.085 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2l2w 1
. 4 . 687 . 1 1 8 THR HG23 H -3.047 2.591 -0.464 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2l2w 1
. 4 . 688 . 1 1 8 THR N N -1.114 1.557 -3.106 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2l2w 1
. 4 . 689 . 1 1 8 THR O O -1.532 4.178 -2.590 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2l2w 1
. 4 . 690 . 1 1 8 THR OG1 O -4.743 1.869 -2.299 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2l2w 1
. 4 . 691 . 1 1 9 DBU C C -4.858 5.965 -1.936 . . . 1.0 . . . . . . . . . . . . A . 8 DBU C . . . . . . . . . rr_2l2w 1
. 4 . 692 . 1 1 9 DBU CA C -3.961 5.596 -3.059 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CA . . . . . . . . . rr_2l2w 1
. 4 . 693 . 1 1 9 DBU CB C -3.458 6.538 -3.853 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CB . . . . . . . . . rr_2l2w 1
. 4 . 694 . 1 1 9 DBU CG C -2.528 6.228 -5.036 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CG . . . . . . . . . rr_2l2w 1
. 4 . 695 . 1 1 9 DBU HG1 H -1.625 5.761 -4.672 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG1 . . . . . . . . . rr_2l2w 1
. 4 . 696 . 1 1 9 DBU HG2 H -2.277 7.146 -5.547 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG2 . . . . . . . . . rr_2l2w 1
. 4 . 697 . 1 1 9 DBU HG3 H -3.029 5.560 -5.723 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG3 . . . . . . . . . rr_2l2w 1
. 4 . 698 . 1 1 9 DBU N N -3.696 4.160 -3.206 . . . 1.0 . . . . . . . . . . . . A . 8 DBU N . . . . . . . . . rr_2l2w 1
. 4 . 699 . 1 1 10 . C C -6.187 5.048 1.252 . . . 1.0 . . . . . . . . . . . . A . 9 DCY C . . . . . . . . . rr_2l2w 1
. 4 . 700 . 1 1 10 . CA C -6.232 5.720 -0.106 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CA . . . . . . . . . rr_2l2w 1
. 4 . 701 . 1 1 10 . CB C -5.809 7.181 0.012 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CB . . . . . . . . . rr_2l2w 1
. 4 . 702 . 1 1 10 . HA H -7.249 5.696 -0.461 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HA . . . . . . . . . rr_2l2w 1
. 4 . 703 . 1 1 10 . HB2 H -6.648 7.790 0.333 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB2 . . . . . . . . . rr_2l2w 1
. 4 . 704 . 1 1 10 . HB3 H -4.977 7.286 0.686 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB3 . . . . . . . . . rr_2l2w 1
. 4 . 705 . 1 1 10 . N N -5.372 5.084 -1.117 . . . 1.0 . . . . . . . . . . . . A . 9 DCY N . . . . . . . . . rr_2l2w 1
. 4 . 706 . 1 1 10 . O O -6.250 5.756 2.258 . . . 1.0 . . . . . . . . . . . . A . 9 DCY O . . . . . . . . . rr_2l2w 1
. 4 . 707 . 1 1 10 . SG S -5.286 7.619 -1.651 . . . 1.0 . . . . . . . . . . . . A . 9 DCY SG . . . . . . . . . rr_2l2w 1
. 4 . 708 . 1 1 11 . C C -4.920 3.075 3.368 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 C . . . . . . . . . rr_2l2w 1
. 4 . 709 . 1 1 11 . CA C -6.221 2.998 2.563 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CA . . . . . . . . . rr_2l2w 1
. 4 . 710 . 1 1 11 . CB C -6.655 1.512 2.315 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CB . . . . . . . . . rr_2l2w 1
. 4 . 711 . 1 1 11 . CD1 C -8.592 0.192 1.149 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CD1 . . . . . . . . . rr_2l2w 1
. 4 . 712 . 1 1 11 . CG1 C -7.950 1.545 1.428 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG1 . . . . . . . . . rr_2l2w 1
. 4 . 713 . 1 1 11 . CG2 C -6.920 0.812 3.613 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG2 . . . . . . . . . rr_2l2w 1
. 4 . 714 . 1 1 11 . H H -5.909 3.221 0.477 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 H . . . . . . . . . rr_2l2w 1
. 4 . 715 . 1 1 11 . HA H -7.001 3.491 3.124 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HA . . . . . . . . . rr_2l2w 1
. 4 . 716 . 1 1 11 . HD11 H -7.825 -0.529 0.915 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD11 . . . . . . . . . rr_2l2w 1
. 4 . 717 . 1 1 11 . HD12 H -9.269 0.280 0.311 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD12 . . . . . . . . . rr_2l2w 1
. 4 . 718 . 1 1 11 . HD13 H -9.139 -0.134 2.020 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD13 . . . . . . . . . rr_2l2w 1
. 4 . 719 . 1 1 11 . HD2 H -9.745 1.930 2.156 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD2 . . . . . . . . . rr_2l2w 1
. 4 . 720 . 1 1 11 . HG1 H -7.721 2.008 0.480 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG1 . . . . . . . . . rr_2l2w 1
. 4 . 721 . 1 1 11 . HG21 H -7.236 -0.203 3.419 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG21 . . . . . . . . . rr_2l2w 1
. 4 . 722 . 1 1 11 . HG22 H -7.697 1.335 4.152 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG22 . . . . . . . . . rr_2l2w 1
. 4 . 723 . 1 1 11 . HG23 H -6.019 0.797 4.207 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG23 . . . . . . . . . rr_2l2w 1
. 4 . 724 . 1 1 11 . HG3 H -5.518 1.241 0.745 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG3 . . . . . . . . . rr_2l2w 1
. 4 . 725 . 1 1 11 . N N -6.083 3.721 1.302 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 N . . . . . . . . . rr_2l2w 1
. 4 . 726 . 1 1 11 . OD2 O -8.893 2.371 2.126 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OD2 . . . . . . . . . rr_2l2w 1
. 4 . 727 . 1 1 11 . OG3 O -5.628 0.840 1.610 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OG3 . . . . . . . . . rr_2l2w 1
. 4 . 728 . 1 1 12 . C C -1.453 2.334 3.849 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 C . . . . . . . . . rr_2l2w 1
. 4 . 729 . 1 1 12 . CA C -2.825 2.794 3.955 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CA . . . . . . . . . rr_2l2w 1
. 4 . 730 . 1 1 12 . CB C -3.272 3.557 5.076 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CB . . . . . . . . . rr_2l2w 1
. 4 . 731 . 1 1 12 . HB H -2.664 3.853 5.917 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 HB . . . . . . . . . rr_2l2w 1
. 4 . 732 . 1 1 12 . N N -3.783 2.551 3.027 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 N . . . . . . . . . rr_2l2w 1
. 4 . 733 . 1 1 12 . O O -0.585 2.566 4.692 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 O . . . . . . . . . rr_2l2w 1
. 4 . 734 . 1 1 12 . SG S -4.902 3.916 4.868 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 SG . . . . . . . . . rr_2l2w 1
. 4 . 735 . 1 1 13 THR C C 0.740 1.864 1.273 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_2l2w 1
. 4 . 736 . 1 1 13 THR CA C 0.139 1.132 2.459 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_2l2w 1
. 4 . 737 . 1 1 13 THR CB C 0.170 -0.388 2.213 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_2l2w 1
. 4 . 738 . 1 1 13 THR CG2 C -0.037 -1.151 3.502 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_2l2w 1
. 4 . 739 . 1 1 13 THR H H -1.939 1.428 2.127 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_2l2w 1
. 4 . 740 . 1 1 13 THR HA H 0.749 1.328 3.327 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_2l2w 1
. 4 . 741 . 1 1 13 THR HB H 1.133 -0.662 1.804 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_2l2w 1
. 4 . 742 . 1 1 13 THR HG21 H 0.903 -1.204 4.031 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_2l2w 1
. 4 . 743 . 1 1 13 THR HG22 H -0.384 -2.148 3.279 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_2l2w 1
. 4 . 744 . 1 1 13 THR HG23 H -0.767 -0.640 4.112 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_2l2w 1
. 4 . 745 . 1 1 13 THR N N -1.208 1.624 2.750 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_2l2w 1
. 4 . 746 . 1 1 13 THR OG1 O -0.913 -0.797 1.284 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_2l2w 1
. 4 . 747 . 1 1 14 . C C 3.453 2.145 -1.030 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 C . . . . . . . . . rr_2l2w 1
. 4 . 748 . 1 1 14 . CA C 2.168 2.366 -0.294 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CA . . . . . . . . . rr_2l2w 1
. 4 . 749 . 1 1 14 . CB C 1.180 3.366 -0.567 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CB . . . . . . . . . rr_2l2w 1
. 4 . 750 . 1 1 14 . HB H 1.231 4.106 -1.351 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 HB . . . . . . . . . rr_2l2w 1
. 4 . 751 . 1 1 14 . N N 1.869 1.562 0.738 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 N . . . . . . . . . rr_2l2w 1
. 4 . 752 . 1 1 14 . SG S -0.075 3.191 0.544 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 SG . . . . . . . . . rr_2l2w 1
. 4 . 753 . 1 1 15 . C C 6.621 2.426 0.902 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 C . . . . . . . . . rr_2l2w 1
. 4 . 754 . 1 1 15 . CA C 5.654 1.984 -0.124 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CA . . . . . . . . . rr_2l2w 1
. 4 . 755 . 1 1 15 . CB C 6.128 0.989 -1.098 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CB . . . . . . . . . rr_2l2w 1
. 4 . 756 . 1 1 15 . HB2 H 6.347 0.068 -0.582 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB2 . . . . . . . . . rr_2l2w 1
. 4 . 757 . 1 1 15 . HB3 H 7.029 1.350 -1.574 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB3 . . . . . . . . . rr_2l2w 1
. 4 . 758 . 1 1 15 . N N 4.487 2.519 -0.053 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 N . . . . . . . . . rr_2l2w 1
. 4 . 759 . 1 1 16 . C C 9.903 2.283 2.278 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 C . . . . . . . . . rr_2l2w 1
. 4 . 760 . 1 1 16 . CA C 8.513 2.572 1.988 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CA . . . . . . . . . rr_2l2w 1
. 4 . 761 . 1 1 16 . CB C 7.733 3.478 2.775 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CB . . . . . . . . . rr_2l2w 1
. 4 . 762 . 1 1 16 . HB H 8.081 4.024 3.639 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 HB . . . . . . . . . rr_2l2w 1
. 4 . 763 . 1 1 16 . N N 7.843 2.013 0.956 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 N . . . . . . . . . rr_2l2w 1
. 4 . 764 . 1 1 16 . O O 10.535 2.770 3.215 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 O . . . . . . . . . rr_2l2w 1
. 4 . 765 . 1 1 16 . SG S 6.178 3.549 2.126 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 SG . . . . . . . . . rr_2l2w 1
. 4 . 766 . 1 1 17 DHA C C 12.088 0.043 0.266 . . . 1.0 . . . . . . . . . . . . A . 16 DHA C . . . . . . . . . rr_2l2w 1
. 4 . 767 . 1 1 17 DHA CA C 11.815 0.915 1.396 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CA . . . . . . . . . rr_2l2w 1
. 4 . 768 . 1 1 17 DHA CB C 12.749 1.188 2.296 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CB . . . . . . . . . rr_2l2w 1
. 4 . 769 . 1 1 17 DHA H H 9.837 1.110 0.689 . . . 1.0 . . . . . . . . . . . . A . 16 DHA H . . . . . . . . . rr_2l2w 1
. 4 . 770 . 1 1 17 DHA HB1 H 12.529 1.836 3.129 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB1 . . . . . . . . . rr_2l2w 1
. 4 . 771 . 1 1 17 DHA HB2 H 13.735 0.758 2.196 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB2 . . . . . . . . . rr_2l2w 1
. 4 . 772 . 1 1 17 DHA N N 10.432 1.426 1.401 . . . 1.0 . . . . . . . . . . . . A . 16 DHA N . . . . . . . . . rr_2l2w 1
. 4 . 773 . 1 1 17 DHA O O 11.164 -0.155 -0.521 . . . 1.0 . . . . . . . . . . . . A . 16 DHA O . . . . . . . . . rr_2l2w 1
. 4 . 774 . 1 1 18 DHA C C 15.128 -1.819 -0.813 . . . 1.0 . . . . . . . . . . . . A . 17 DHA C . . . . . . . . . rr_2l2w 1
. 4 . 775 . 1 1 18 DHA CA C 13.742 -1.403 -0.949 . . . 1.0 . . . . . . . . . . . . A . 17 DHA CA . . . . . . . . . rr_2l2w 1
. 4 . 776 . 1 1 18 DHA CB C 12.996 -1.828 -1.958 . . . 1.0 . . . . . . . . . . . . A . 17 DHA CB . . . . . . . . . rr_2l2w 1
. 4 . 777 . 1 1 18 DHA H H 13.965 -0.262 0.811 . . . 1.0 . . . . . . . . . . . . A . 17 DHA H . . . . . . . . . rr_2l2w 1
. 4 . 778 . 1 1 18 DHA HB1 H 11.969 -1.512 -2.047 . . . 1.0 . . . . . . . . . . . . A . 17 DHA HB1 . . . . . . . . . rr_2l2w 1
. 4 . 779 . 1 1 18 DHA HB2 H 13.418 -2.496 -2.696 . . . 1.0 . . . . . . . . . . . . A . 17 DHA HB2 . . . . . . . . . rr_2l2w 1
. 4 . 780 . 1 1 18 DHA N N 13.304 -0.496 0.128 . . . 1.0 . . . . . . . . . . . . A . 17 DHA N . . . . . . . . . rr_2l2w 1
. 4 . 781 . 1 1 18 DHA O O 15.760 -1.385 0.151 . . . 1.0 . . . . . . . . . . . . A . 17 DHA O . . . . . . . . . rr_2l2w 1
. 4 . 782 . 1 1 19 NH2 HN1 H 16.594 -2.919 -1.616 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN1 . . . . . . . . . rr_2l2w 1
. 4 . 783 . 1 1 19 NH2 HN2 H 15.110 -2.956 -2.459 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN2 . . . . . . . . . rr_2l2w 1
. 4 . 784 . 1 1 19 NH2 N N 15.659 -2.639 -1.713 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 N . . . . . . . . . rr_2l2w 1
. 5 . 785 . 1 1 1 QUA C10 C -3.886 -2.485 -2.264 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C10 . . . . . . . . . rr_2l2w 1
. 5 . 786 . 1 1 1 QUA C11 C -0.568 -1.189 0.038 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C11 . . . . . . . . . rr_2l2w 1
. 5 . 787 . 1 1 1 QUA C13 C -2.374 -2.930 -4.276 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C13 . . . . . . . . . rr_2l2w 1
. 5 . 788 . 1 1 1 QUA C14 C -2.335 -4.450 -4.350 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C14 . . . . . . . . . rr_2l2w 1
. 5 . 789 . 1 1 1 QUA C2 C -1.757 -1.643 -0.750 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C2 . . . . . . . . . rr_2l2w 1
. 5 . 790 . 1 1 1 QUA C3 C -1.527 -2.049 -2.058 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C3 . . . . . . . . . rr_2l2w 1
. 5 . 791 . 1 1 1 QUA C4 C -2.605 -2.478 -2.834 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C4 . . . . . . . . . rr_2l2w 1
. 5 . 792 . 1 1 1 QUA C5 C -5.080 -2.917 -3.007 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C5 . . . . . . . . . rr_2l2w 1
. 5 . 793 . 1 1 1 QUA C6 C -6.191 -3.214 -2.404 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C6 . . . . . . . . . rr_2l2w 1
. 5 . 794 . 1 1 1 QUA C7 C -6.334 -3.137 -0.880 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C7 . . . . . . . . . rr_2l2w 1
. 5 . 795 . 1 1 1 QUA C8 C -5.392 -2.053 -0.283 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C8 . . . . . . . . . rr_2l2w 1
. 5 . 796 . 1 1 1 QUA C9 C -4.021 -2.063 -0.951 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C9 . . . . . . . . . rr_2l2w 1
. 5 . 797 . 1 1 1 QUA H13 H -3.183 -2.582 -4.898 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H13 . . . . . . . . . rr_2l2w 1
. 5 . 798 . 1 1 1 QUA H141 H -2.243 -4.758 -5.380 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H141 . . . . . . . . . rr_2l2w 1
. 5 . 799 . 1 1 1 QUA H142 H -3.245 -4.855 -3.933 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H142 . . . . . . . . . rr_2l2w 1
. 5 . 800 . 1 1 1 QUA H143 H -1.487 -4.816 -3.788 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H143 . . . . . . . . . rr_2l2w 1
. 5 . 801 . 1 1 1 QUA H15 H -1.237 -2.237 -5.733 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H15 . . . . . . . . . rr_2l2w 1
. 5 . 802 . 1 1 1 QUA H16 H -5.371 -0.157 -0.820 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H16 . . . . . . . . . rr_2l2w 1
. 5 . 803 . 1 1 1 QUA HC3 H -0.528 -2.032 -2.469 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC3 . . . . . . . . . rr_2l2w 1
. 5 . 804 . 1 1 1 QUA HC5 H -5.034 -2.987 -4.083 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC5 . . . . . . . . . rr_2l2w 1
. 5 . 805 . 1 1 1 QUA HC6 H -7.039 -3.524 -2.994 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC6 . . . . . . . . . rr_2l2w 1
. 5 . 806 . 1 1 1 QUA HC71 H -7.352 -2.892 -0.624 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC71 . . . . . . . . . rr_2l2w 1
. 5 . 807 . 1 1 1 QUA HC8 H -5.275 -2.253 0.773 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC8 . . . . . . . . . rr_2l2w 1
. 5 . 808 . 1 1 1 QUA N1 N -2.988 -1.639 -0.170 . . . 1.0 . . . . . . . . . . . . A . 0 QUA N1 . . . . . . . . . rr_2l2w 1
. 5 . 809 . 1 1 1 QUA O12 O 0.578 -1.197 -0.414 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O12 . . . . . . . . . rr_2l2w 1
. 5 . 810 . 1 1 1 QUA O15 O -1.145 -2.402 -4.791 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O15 . . . . . . . . . rr_2l2w 1
. 5 . 811 . 1 1 1 QUA O16 O -6.002 -0.768 -0.436 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O16 . . . . . . . . . rr_2l2w 1
. 5 . 812 . 1 1 2 ILE C C -5.133 -4.909 1.924 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2l2w 1
. 5 . 813 . 1 1 2 ILE CA C -6.375 -4.677 1.085 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2l2w 1
. 5 . 814 . 1 1 2 ILE CB C -7.353 -5.853 1.293 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2l2w 1
. 5 . 815 . 1 1 2 ILE CD1 C -7.604 -8.366 0.914 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2l2w 1
. 5 . 816 . 1 1 2 ILE CG1 C -6.866 -7.096 0.539 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2l2w 1
. 5 . 817 . 1 1 2 ILE CG2 C -8.752 -5.458 0.842 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2l2w 1
. 5 . 818 . 1 1 2 ILE H H -5.075 -4.691 -0.483 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H . . . . . . . . . rr_2l2w 1
. 5 . 819 . 1 1 2 ILE HA H -6.850 -3.777 1.430 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2l2w 1
. 5 . 820 . 1 1 2 ILE HB H -7.393 -6.075 2.350 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2l2w 1
. 5 . 821 . 1 1 2 ILE HD11 H -8.648 -8.267 0.655 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2l2w 1
. 5 . 822 . 1 1 2 ILE HD12 H -7.512 -8.535 1.977 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2l2w 1
. 5 . 823 . 1 1 2 ILE HD13 H -7.178 -9.201 0.378 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2l2w 1
. 5 . 824 . 1 1 2 ILE HG12 H -6.998 -6.940 -0.521 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2l2w 1
. 5 . 825 . 1 1 2 ILE HG13 H -5.818 -7.250 0.746 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2l2w 1
. 5 . 826 . 1 1 2 ILE HG21 H -9.070 -4.578 1.381 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2l2w 1
. 5 . 827 . 1 1 2 ILE HG22 H -9.439 -6.267 1.040 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2l2w 1
. 5 . 828 . 1 1 2 ILE HG23 H -8.742 -5.247 -0.217 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2l2w 1
. 5 . 829 . 1 1 2 ILE N N -6.028 -4.503 -0.356 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2l2w 1
. 5 . 830 . 1 1 2 ILE O O -5.176 -4.829 3.152 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2l2w 1
. 5 . 831 . 1 1 3 ALA C C -1.633 -5.623 0.939 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2l2w 1
. 5 . 832 . 1 1 3 ALA CA C -2.786 -5.534 1.931 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2l2w 1
. 5 . 833 . 1 1 3 ALA CB C -2.960 -6.844 2.677 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2l2w 1
. 5 . 834 . 1 1 3 ALA H H -4.040 -5.164 0.273 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2l2w 1
. 5 . 835 . 1 1 3 ALA HA H -2.573 -4.758 2.652 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2l2w 1
. 5 . 836 . 1 1 3 ALA HB1 H -3.114 -7.642 1.968 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2l2w 1
. 5 . 837 . 1 1 3 ALA HB2 H -3.822 -6.769 3.327 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2l2w 1
. 5 . 838 . 1 1 3 ALA HB3 H -2.079 -7.045 3.267 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2l2w 1
. 5 . 839 . 1 1 3 ALA N N -4.024 -5.190 1.251 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2l2w 1
. 5 . 840 . 1 1 3 ALA O O -1.714 -6.346 -0.053 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2l2w 1
. 5 . 841 . 1 1 4 DHA C C 1.573 -3.757 0.950 . . . 1.0 . . . . . . . . . . . . A . 3 DHA C . . . . . . . . . rr_2l2w 1
. 5 . 842 . 1 1 4 DHA CA C 0.607 -4.663 0.359 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CA . . . . . . . . . rr_2l2w 1
. 5 . 843 . 1 1 4 DHA CB C 0.801 -5.184 -0.844 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CB . . . . . . . . . rr_2l2w 1
. 5 . 844 . 1 1 4 DHA H H -0.553 -4.446 2.103 . . . 1.0 . . . . . . . . . . . . A . 3 DHA H . . . . . . . . . rr_2l2w 1
. 5 . 845 . 1 1 4 DHA HB1 H 0.066 -5.841 -1.278 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB1 . . . . . . . . . rr_2l2w 1
. 5 . 846 . 1 1 4 DHA HB2 H 1.695 -4.939 -1.398 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB2 . . . . . . . . . rr_2l2w 1
. 5 . 847 . 1 1 4 DHA N N -0.561 -4.884 1.226 . . . 1.0 . . . . . . . . . . . . A . 3 DHA N . . . . . . . . . rr_2l2w 1
. 5 . 848 . 1 1 4 DHA O O 1.316 -3.306 2.064 . . . 1.0 . . . . . . . . . . . . A . 3 DHA O . . . . . . . . . rr_2l2w 1
. 5 . 849 . 1 1 5 ALA C C 3.951 -1.505 -0.454 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_2l2w 1
. 5 . 850 . 1 1 5 ALA CA C 3.571 -2.391 0.724 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_2l2w 1
. 5 . 851 . 1 1 5 ALA CB C 4.806 -2.993 1.374 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_2l2w 1
. 5 . 852 . 1 1 5 ALA H H 2.886 -3.939 -0.540 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_2l2w 1
. 5 . 853 . 1 1 5 ALA HA H 3.052 -1.794 1.462 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_2l2w 1
. 5 . 854 . 1 1 5 ALA HB1 H 5.367 -3.547 0.636 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . rr_2l2w 1
. 5 . 855 . 1 1 5 ALA HB2 H 4.503 -3.658 2.170 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_2l2w 1
. 5 . 856 . 1 1 5 ALA HB3 H 5.421 -2.204 1.778 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_2l2w 1
. 5 . 857 . 1 1 5 ALA N N 2.672 -3.446 0.279 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_2l2w 1
. 5 . 858 . 1 1 5 ALA O O 4.562 -1.978 -1.411 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_2l2w 1
. 5 . 859 . 1 1 6 SER C C 2.671 0.342 -2.571 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2l2w 1
. 5 . 860 . 1 1 6 SER CA C 3.686 0.689 -1.588 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2l2w 1
. 5 . 861 . 1 1 6 SER CB C 5.126 0.684 -2.180 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2l2w 1
. 5 . 862 . 1 1 6 SER H H 3.206 0.119 0.466 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2l2w 1
. 5 . 863 . 1 1 6 SER HB2 H 5.339 -0.275 -2.623 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2l2w 1
. 5 . 864 . 1 1 6 SER HB3 H 5.208 1.453 -2.933 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2l2w 1
. 5 . 865 . 1 1 6 SER N N 3.576 -0.222 -0.382 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2l2w 1
. 5 . 866 . 1 1 7 . C C -0.599 0.673 -3.966 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 C . . . . . . . . . rr_2l2w 1
. 5 . 867 . 1 1 7 . CA C 0.767 0.293 -3.670 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CA . . . . . . . . . rr_2l2w 1
. 5 . 868 . 1 1 7 . CB C 1.481 -0.682 -4.430 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CB . . . . . . . . . rr_2l2w 1
. 5 . 869 . 1 1 7 . HB H 1.096 -1.227 -5.280 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 HB . . . . . . . . . rr_2l2w 1
. 5 . 870 . 1 1 7 . N N 1.474 0.827 -2.653 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 N . . . . . . . . . rr_2l2w 1
. 5 . 871 . 1 1 7 . O O -1.263 0.227 -4.902 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 O . . . . . . . . . rr_2l2w 1
. 5 . 872 . 1 1 7 . SG S 3.023 -0.843 -3.774 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 SG . . . . . . . . . rr_2l2w 1
. 5 . 873 . 1 1 8 THR C C -2.499 3.563 -2.932 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2l2w 1
. 5 . 874 . 1 1 8 THR CA C -2.449 2.059 -3.185 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2l2w 1
. 5 . 875 . 1 1 8 THR CB C -3.378 1.345 -2.180 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2l2w 1
. 5 . 876 . 1 1 8 THR CG2 C -2.914 1.562 -0.745 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2l2w 1
. 5 . 877 . 1 1 8 THR H H -0.501 1.882 -2.375 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2l2w 1
. 5 . 878 . 1 1 8 THR HA H -2.813 1.859 -4.182 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2l2w 1
. 5 . 879 . 1 1 8 THR HB H -3.358 0.285 -2.391 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2l2w 1
. 5 . 880 . 1 1 8 THR HG1 H -4.781 2.720 -2.000 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2l2w 1
. 5 . 881 . 1 1 8 THR HG21 H -3.083 2.591 -0.462 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2l2w 1
. 5 . 882 . 1 1 8 THR HG22 H -1.861 1.336 -0.668 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2l2w 1
. 5 . 883 . 1 1 8 THR HG23 H -3.471 0.912 -0.085 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2l2w 1
. 5 . 884 . 1 1 8 THR N N -1.082 1.559 -3.096 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2l2w 1
. 5 . 885 . 1 1 8 THR O O -1.507 4.170 -2.529 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2l2w 1
. 5 . 886 . 1 1 8 THR OG1 O -4.721 1.821 -2.328 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2l2w 1
. 5 . 887 . 1 1 9 DBU C C -4.893 5.901 -1.894 . . . 1.0 . . . . . . . . . . . . A . 8 DBU C . . . . . . . . . rr_2l2w 1
. 5 . 888 . 1 1 9 DBU CA C -3.940 5.585 -2.984 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CA . . . . . . . . . rr_2l2w 1
. 5 . 889 . 1 1 9 DBU CB C -3.404 6.560 -3.714 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CB . . . . . . . . . rr_2l2w 1
. 5 . 890 . 1 1 9 DBU CG C -2.412 6.302 -4.860 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CG . . . . . . . . . rr_2l2w 1
. 5 . 891 . 1 1 9 DBU HG1 H -2.141 7.241 -5.319 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG1 . . . . . . . . . rr_2l2w 1
. 5 . 892 . 1 1 9 DBU HG2 H -2.872 5.660 -5.596 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG2 . . . . . . . . . rr_2l2w 1
. 5 . 893 . 1 1 9 DBU HG3 H -1.526 5.824 -4.468 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG3 . . . . . . . . . rr_2l2w 1
. 5 . 894 . 1 1 9 DBU N N -3.662 4.158 -3.173 . . . 1.0 . . . . . . . . . . . . A . 8 DBU N . . . . . . . . . rr_2l2w 1
. 5 . 895 . 1 1 10 . C C -6.262 4.897 1.242 . . . 1.0 . . . . . . . . . . . . A . 9 DCY C . . . . . . . . . rr_2l2w 1
. 5 . 896 . 1 1 10 . CA C -6.319 5.565 -0.118 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CA . . . . . . . . . rr_2l2w 1
. 5 . 897 . 1 1 10 . CB C -6.000 7.051 0.012 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CB . . . . . . . . . rr_2l2w 1
. 5 . 898 . 1 1 10 . HA H -7.323 5.472 -0.501 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HA . . . . . . . . . rr_2l2w 1
. 5 . 899 . 1 1 10 . HB2 H -6.892 7.603 0.287 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB2 . . . . . . . . . rr_2l2w 1
. 5 . 900 . 1 1 10 . HB3 H -5.214 7.212 0.730 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB3 . . . . . . . . . rr_2l2w 1
. 5 . 901 . 1 1 10 . N N -5.391 4.988 -1.103 . . . 1.0 . . . . . . . . . . . . A . 9 DCY N . . . . . . . . . rr_2l2w 1
. 5 . 902 . 1 1 10 . O O -6.326 5.609 2.245 . . . 1.0 . . . . . . . . . . . . A . 9 DCY O . . . . . . . . . rr_2l2w 1
. 5 . 903 . 1 1 10 . SG S -5.420 7.527 -1.619 . . . 1.0 . . . . . . . . . . . . A . 9 DCY SG . . . . . . . . . rr_2l2w 1
. 5 . 904 . 1 1 11 . C C -4.936 3.000 3.355 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 C . . . . . . . . . rr_2l2w 1
. 5 . 905 . 1 1 11 . CA C -6.241 2.859 2.570 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CA . . . . . . . . . rr_2l2w 1
. 5 . 906 . 1 1 11 . CB C -6.616 1.352 2.351 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CB . . . . . . . . . rr_2l2w 1
. 5 . 907 . 1 1 11 . CD1 C -8.512 -0.066 1.232 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CD1 . . . . . . . . . rr_2l2w 1
. 5 . 908 . 1 1 11 . CG1 C -7.901 1.313 1.451 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG1 . . . . . . . . . rr_2l2w 1
. 5 . 909 . 1 1 11 . CG2 C -6.865 0.675 3.663 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG2 . . . . . . . . . rr_2l2w 1
. 5 . 910 . 1 1 11 . H H -5.996 3.066 0.471 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 H . . . . . . . . . rr_2l2w 1
. 5 . 911 . 1 1 11 . HA H -7.035 3.328 3.135 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HA . . . . . . . . . rr_2l2w 1
. 5 . 912 . 1 1 11 . HD11 H -9.168 -0.037 0.375 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD11 . . . . . . . . . rr_2l2w 1
. 5 . 913 . 1 1 11 . HD12 H -9.077 -0.350 2.108 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD12 . . . . . . . . . rr_2l2w 1
. 5 . 914 . 1 1 11 . HD13 H -7.727 -0.786 1.062 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD13 . . . . . . . . . rr_2l2w 1
. 5 . 915 . 1 1 11 . HD2 H -9.389 1.624 2.709 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD2 . . . . . . . . . rr_2l2w 1
. 5 . 916 . 1 1 11 . HG1 H -7.672 1.735 0.483 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG1 . . . . . . . . . rr_2l2w 1
. 5 . 917 . 1 1 11 . HG21 H -5.977 0.729 4.274 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG21 . . . . . . . . . rr_2l2w 1
. 5 . 918 . 1 1 11 . HG22 H -7.119 -0.361 3.494 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG22 . . . . . . . . . rr_2l2w 1
. 5 . 919 . 1 1 11 . HG23 H -7.681 1.166 4.172 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG23 . . . . . . . . . rr_2l2w 1
. 5 . 920 . 1 1 11 . HG3 H -5.091 1.338 1.123 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG3 . . . . . . . . . rr_2l2w 1
. 5 . 921 . 1 1 11 . N N -6.148 3.571 1.298 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 N . . . . . . . . . rr_2l2w 1
. 5 . 922 . 1 1 11 . OD2 O -8.867 2.151 2.099 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OD2 . . . . . . . . . rr_2l2w 1
. 5 . 923 . 1 1 11 . OG3 O -5.554 0.704 1.675 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OG3 . . . . . . . . . rr_2l2w 1
. 5 . 924 . 1 1 12 . C C -1.443 2.385 3.794 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 C . . . . . . . . . rr_2l2w 1
. 5 . 925 . 1 1 12 . CA C -2.826 2.801 3.913 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CA . . . . . . . . . rr_2l2w 1
. 5 . 926 . 1 1 12 . CB C -3.281 3.572 5.025 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CB . . . . . . . . . rr_2l2w 1
. 5 . 927 . 1 1 12 . HB H -2.669 3.907 5.850 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 HB . . . . . . . . . rr_2l2w 1
. 5 . 928 . 1 1 12 . N N -3.789 2.507 3.007 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 N . . . . . . . . . rr_2l2w 1
. 5 . 929 . 1 1 12 . O O -0.567 2.665 4.614 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 O . . . . . . . . . rr_2l2w 1
. 5 . 930 . 1 1 12 . SG S -4.924 3.873 4.836 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 SG . . . . . . . . . rr_2l2w 1
. 5 . 931 . 1 1 13 THR C C 0.766 1.893 1.248 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_2l2w 1
. 5 . 932 . 1 1 13 THR CA C 0.151 1.160 2.427 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_2l2w 1
. 5 . 933 . 1 1 13 THR CB C 0.179 -0.360 2.181 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_2l2w 1
. 5 . 934 . 1 1 13 THR CG2 C -0.024 -1.120 3.473 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_2l2w 1
. 5 . 935 . 1 1 13 THR H H -1.925 1.445 2.089 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_2l2w 1
. 5 . 936 . 1 1 13 THR HA H 0.754 1.353 3.301 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_2l2w 1
. 5 . 937 . 1 1 13 THR HB H 1.139 -0.636 1.768 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_2l2w 1
. 5 . 938 . 1 1 13 THR HG21 H -0.738 -0.598 4.092 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_2l2w 1
. 5 . 939 . 1 1 13 THR HG22 H 0.922 -1.190 3.990 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_2l2w 1
. 5 . 940 . 1 1 13 THR HG23 H -0.390 -2.110 3.255 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_2l2w 1
. 5 . 941 . 1 1 13 THR N N -1.195 1.654 2.709 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_2l2w 1
. 5 . 942 . 1 1 13 THR OG1 O -0.910 -0.767 1.257 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_2l2w 1
. 5 . 943 . 1 1 14 . C C 3.490 2.154 -1.047 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 C . . . . . . . . . rr_2l2w 1
. 5 . 944 . 1 1 14 . CA C 2.206 2.387 -0.312 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CA . . . . . . . . . rr_2l2w 1
. 5 . 945 . 1 1 14 . CB C 1.233 3.404 -0.580 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CB . . . . . . . . . rr_2l2w 1
. 5 . 946 . 1 1 14 . HB H 1.297 4.150 -1.358 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 HB . . . . . . . . . rr_2l2w 1
. 5 . 947 . 1 1 14 . N N 1.893 1.580 0.713 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 N . . . . . . . . . rr_2l2w 1
. 5 . 948 . 1 1 14 . SG S -0.028 3.237 0.527 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 SG . . . . . . . . . rr_2l2w 1
. 5 . 949 . 1 1 15 . C C 6.666 2.437 0.883 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 C . . . . . . . . . rr_2l2w 1
. 5 . 950 . 1 1 15 . CA C 5.690 1.982 -0.133 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CA . . . . . . . . . rr_2l2w 1
. 5 . 951 . 1 1 15 . CB C 6.150 0.957 -1.083 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CB . . . . . . . . . rr_2l2w 1
. 5 . 952 . 1 1 15 . HB2 H 6.334 0.039 -0.549 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB2 . . . . . . . . . rr_2l2w 1
. 5 . 953 . 1 1 15 . HB3 H 7.069 1.283 -1.549 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB3 . . . . . . . . . rr_2l2w 1
. 5 . 954 . 1 1 15 . N N 4.531 2.537 -0.077 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 N . . . . . . . . . rr_2l2w 1
. 5 . 955 . 1 1 16 . C C 9.918 2.215 2.318 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 C . . . . . . . . . rr_2l2w 1
. 5 . 956 . 1 1 16 . CA C 8.549 2.555 1.988 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CA . . . . . . . . . rr_2l2w 1
. 5 . 957 . 1 1 16 . CB C 7.803 3.541 2.710 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CB . . . . . . . . . rr_2l2w 1
. 5 . 958 . 1 1 16 . HB H 8.166 4.120 3.547 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 HB . . . . . . . . . rr_2l2w 1
. 5 . 959 . 1 1 16 . N N 7.865 1.971 0.979 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 N . . . . . . . . . rr_2l2w 1
. 5 . 960 . 1 1 16 . O O 10.567 2.743 3.221 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 O . . . . . . . . . rr_2l2w 1
. 5 . 961 . 1 1 16 . SG S 6.262 3.648 2.034 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 SG . . . . . . . . . rr_2l2w 1
. 5 . 962 . 1 1 17 DHA C C 11.918 -0.461 0.681 . . . 1.0 . . . . . . . . . . . . A . 16 DHA C . . . . . . . . . rr_2l2w 1
. 5 . 963 . 1 1 17 DHA CA C 11.746 0.653 1.602 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CA . . . . . . . . . rr_2l2w 1
. 5 . 964 . 1 1 17 DHA CB C 12.732 1.045 2.396 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CB . . . . . . . . . rr_2l2w 1
. 5 . 965 . 1 1 17 DHA H H 9.790 0.897 0.852 . . . 1.0 . . . . . . . . . . . . A . 16 DHA H . . . . . . . . . rr_2l2w 1
. 5 . 966 . 1 1 17 DHA HB1 H 12.589 1.872 3.073 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB1 . . . . . . . . . rr_2l2w 1
. 5 . 967 . 1 1 17 DHA HB2 H 13.684 0.536 2.365 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB2 . . . . . . . . . rr_2l2w 1
. 5 . 968 . 1 1 17 DHA N N 10.399 1.249 1.535 . . . 1.0 . . . . . . . . . . . . A . 16 DHA N . . . . . . . . . rr_2l2w 1
. 5 . 969 . 1 1 17 DHA O O 10.950 -0.758 -0.018 . . . 1.0 . . . . . . . . . . . . A . 16 DHA O . . . . . . . . . rr_2l2w 1
. 5 . 970 . 1 1 18 DHA C C 14.746 -2.788 0.025 . . . 1.0 . . . . . . . . . . . . A . 17 DHA C . . . . . . . . . rr_2l2w 1
. 5 . 971 . 1 1 18 DHA CA C 13.420 -2.251 -0.230 . . . 1.0 . . . . . . . . . . . . A . 17 DHA CA . . . . . . . . . rr_2l2w 1
. 5 . 972 . 1 1 18 DHA CB C 12.635 -2.779 -1.158 . . . 1.0 . . . . . . . . . . . . A . 17 DHA CB . . . . . . . . . rr_2l2w 1
. 5 . 973 . 1 1 18 DHA H H 13.785 -0.788 1.246 . . . 1.0 . . . . . . . . . . . . A . 17 DHA H . . . . . . . . . rr_2l2w 1
. 5 . 974 . 1 1 18 DHA HB1 H 11.653 -2.372 -1.335 . . . 1.0 . . . . . . . . . . . . A . 17 DHA HB1 . . . . . . . . . rr_2l2w 1
. 5 . 975 . 1 1 18 DHA HB2 H 12.979 -3.621 -1.738 . . . 1.0 . . . . . . . . . . . . A . 17 DHA HB2 . . . . . . . . . rr_2l2w 1
. 5 . 976 . 1 1 18 DHA N N 13.086 -1.106 0.637 . . . 1.0 . . . . . . . . . . . . A . 17 DHA N . . . . . . . . . rr_2l2w 1
. 5 . 977 . 1 1 18 DHA O O 15.418 -2.247 0.902 . . . 1.0 . . . . . . . . . . . . A . 17 DHA O . . . . . . . . . rr_2l2w 1
. 5 . 978 . 1 1 19 NH2 HN1 H 16.079 -4.182 -0.509 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN1 . . . . . . . . . rr_2l2w 1
. 5 . 979 . 1 1 19 NH2 HN2 H 14.607 -4.216 -1.371 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN2 . . . . . . . . . rr_2l2w 1
. 5 . 980 . 1 1 19 NH2 N N 15.184 -3.824 -0.684 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 N . . . . . . . . . rr_2l2w 1
. 6 . 981 . 1 1 1 QUA C10 C -3.877 -2.495 -2.233 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C10 . . . . . . . . . rr_2l2w 1
. 6 . 982 . 1 1 1 QUA C11 C -0.559 -1.195 0.068 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C11 . . . . . . . . . rr_2l2w 1
. 6 . 983 . 1 1 1 QUA C13 C -2.373 -2.881 -4.266 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C13 . . . . . . . . . rr_2l2w 1
. 6 . 984 . 1 1 1 QUA C14 C -2.330 -4.400 -4.370 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C14 . . . . . . . . . rr_2l2w 1
. 6 . 985 . 1 1 1 QUA C2 C -1.747 -1.652 -0.721 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C2 . . . . . . . . . rr_2l2w 1
. 6 . 986 . 1 1 1 QUA C3 C -1.522 -2.031 -2.038 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C3 . . . . . . . . . rr_2l2w 1
. 6 . 987 . 1 1 1 QUA C4 C -2.599 -2.461 -2.813 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C4 . . . . . . . . . rr_2l2w 1
. 6 . 988 . 1 1 1 QUA C5 C -5.070 -2.929 -2.976 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C5 . . . . . . . . . rr_2l2w 1
. 6 . 989 . 1 1 1 QUA C6 C -6.175 -3.243 -2.373 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C6 . . . . . . . . . rr_2l2w 1
. 6 . 990 . 1 1 1 QUA C7 C -6.317 -3.188 -0.847 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C7 . . . . . . . . . rr_2l2w 1
. 6 . 991 . 1 1 1 QUA C8 C -5.372 -2.118 -0.231 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C8 . . . . . . . . . rr_2l2w 1
. 6 . 992 . 1 1 1 QUA C9 C -4.008 -2.099 -0.911 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C9 . . . . . . . . . rr_2l2w 1
. 6 . 993 . 1 1 1 QUA H13 H -3.185 -2.523 -4.876 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H13 . . . . . . . . . rr_2l2w 1
. 6 . 994 . 1 1 1 QUA H141 H -3.268 -4.811 -4.032 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H141 . . . . . . . . . rr_2l2w 1
. 6 . 995 . 1 1 1 QUA H142 H -1.527 -4.780 -3.757 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H142 . . . . . . . . . rr_2l2w 1
. 6 . 996 . 1 1 1 QUA H143 H -2.163 -4.684 -5.399 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H143 . . . . . . . . . rr_2l2w 1
. 6 . 997 . 1 1 1 QUA H15 H -0.419 -2.919 -4.537 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H15 . . . . . . . . . rr_2l2w 1
. 6 . 998 . 1 1 1 QUA H16 H -6.339 -0.715 -1.225 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H16 . . . . . . . . . rr_2l2w 1
. 6 . 999 . 1 1 1 QUA HC3 H -0.526 -1.994 -2.455 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC3 . . . . . . . . . rr_2l2w 1
. 6 . 1000 . 1 1 1 QUA HC5 H -5.029 -2.986 -4.052 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC5 . . . . . . . . . rr_2l2w 1
. 6 . 1001 . 1 1 1 QUA HC6 H -7.023 -3.554 -2.965 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC6 . . . . . . . . . rr_2l2w 1
. 6 . 1002 . 1 1 1 QUA HC71 H -7.336 -2.946 -0.587 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC71 . . . . . . . . . rr_2l2w 1
. 6 . 1003 . 1 1 1 QUA HC8 H -5.245 -2.348 0.818 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC8 . . . . . . . . . rr_2l2w 1
. 6 . 1004 . 1 1 1 QUA N1 N -2.973 -1.675 -0.133 . . . 1.0 . . . . . . . . . . . . A . 0 QUA N1 . . . . . . . . . rr_2l2w 1
. 6 . 1005 . 1 1 1 QUA O12 O 0.584 -1.181 -0.391 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O12 . . . . . . . . . rr_2l2w 1
. 6 . 1006 . 1 1 1 QUA O15 O -1.147 -2.340 -4.775 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O15 . . . . . . . . . rr_2l2w 1
. 6 . 1007 . 1 1 1 QUA O16 O -5.993 -0.831 -0.337 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O16 . . . . . . . . . rr_2l2w 1
. 6 . 1008 . 1 1 2 ILE C C -5.152 -5.070 1.924 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2l2w 1
. 6 . 1009 . 1 1 2 ILE CA C -6.379 -4.770 1.084 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2l2w 1
. 6 . 1010 . 1 1 2 ILE CB C -7.400 -5.916 1.245 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2l2w 1
. 6 . 1011 . 1 1 2 ILE CD1 C -7.839 -8.359 0.634 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2l2w 1
. 6 . 1012 . 1 1 2 ILE CG1 C -6.962 -7.141 0.431 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2l2w 1
. 6 . 1013 . 1 1 2 ILE CG2 C -8.785 -5.447 0.817 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2l2w 1
. 6 . 1014 . 1 1 2 ILE H H -5.058 -4.745 -0.467 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H . . . . . . . . . rr_2l2w 1
. 6 . 1015 . 1 1 2 ILE HA H -6.825 -3.865 1.453 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2l2w 1
. 6 . 1016 . 1 1 2 ILE HB H -7.446 -6.183 2.290 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2l2w 1
. 6 . 1017 . 1 1 2 ILE HD11 H -7.408 -9.203 0.115 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2l2w 1
. 6 . 1018 . 1 1 2 ILE HD12 H -8.826 -8.163 0.241 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2l2w 1
. 6 . 1019 . 1 1 2 ILE HD13 H -7.909 -8.582 1.688 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2l2w 1
. 6 . 1020 . 1 1 2 ILE HG12 H -6.982 -6.892 -0.618 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2l2w 1
. 6 . 1021 . 1 1 2 ILE HG13 H -5.953 -7.409 0.713 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2l2w 1
. 6 . 1022 . 1 1 2 ILE HG21 H -9.033 -4.535 1.339 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2l2w 1
. 6 . 1023 . 1 1 2 ILE HG22 H -9.514 -6.207 1.057 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2l2w 1
. 6 . 1024 . 1 1 2 ILE HG23 H -8.790 -5.265 -0.247 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2l2w 1
. 6 . 1025 . 1 1 2 ILE N N -6.013 -4.563 -0.348 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2l2w 1
. 6 . 1026 . 1 1 2 ILE O O -5.215 -5.078 3.154 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2l2w 1
. 6 . 1027 . 1 1 3 ALA C C -1.640 -5.723 0.933 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2l2w 1
. 6 . 1028 . 1 1 3 ALA CA C -2.797 -5.670 1.923 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2l2w 1
. 6 . 1029 . 1 1 3 ALA CB C -2.971 -7.006 2.623 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2l2w 1
. 6 . 1030 . 1 1 3 ALA H H -4.039 -5.231 0.274 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2l2w 1
. 6 . 1031 . 1 1 3 ALA HA H -2.587 -4.920 2.672 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2l2w 1
. 6 . 1032 . 1 1 3 ALA HB1 H -3.829 -6.952 3.278 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2l2w 1
. 6 . 1033 . 1 1 3 ALA HB2 H -2.087 -7.230 3.199 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2l2w 1
. 6 . 1034 . 1 1 3 ALA HB3 H -3.130 -7.778 1.887 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2l2w 1
. 6 . 1035 . 1 1 3 ALA N N -4.033 -5.304 1.250 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2l2w 1
. 6 . 1036 . 1 1 3 ALA O O -1.681 -6.476 -0.039 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2l2w 1
. 6 . 1037 . 1 1 4 DHA C C 1.523 -3.774 0.925 . . . 1.0 . . . . . . . . . . . . A . 3 DHA C . . . . . . . . . rr_2l2w 1
. 6 . 1038 . 1 1 4 DHA CA C 0.545 -4.662 0.323 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CA . . . . . . . . . rr_2l2w 1
. 6 . 1039 . 1 1 4 DHA CB C 0.720 -5.141 -0.900 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CB . . . . . . . . . rr_2l2w 1
. 6 . 1040 . 1 1 4 DHA H H -0.619 -4.468 2.069 . . . 1.0 . . . . . . . . . . . . A . 3 DHA H . . . . . . . . . rr_2l2w 1
. 6 . 1041 . 1 1 4 DHA HB1 H -0.022 -5.785 -1.344 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB1 . . . . . . . . . rr_2l2w 1
. 6 . 1042 . 1 1 4 DHA HB2 H 1.602 -4.874 -1.462 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB2 . . . . . . . . . rr_2l2w 1
. 6 . 1043 . 1 1 4 DHA N N -0.608 -4.921 1.200 . . . 1.0 . . . . . . . . . . . . A . 3 DHA N . . . . . . . . . rr_2l2w 1
. 6 . 1044 . 1 1 4 DHA O O 1.288 -3.361 2.059 . . . 1.0 . . . . . . . . . . . . A . 3 DHA O . . . . . . . . . rr_2l2w 1
. 6 . 1045 . 1 1 5 ALA C C 3.925 -1.512 -0.463 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_2l2w 1
. 6 . 1046 . 1 1 5 ALA CA C 3.523 -2.406 0.702 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_2l2w 1
. 6 . 1047 . 1 1 5 ALA CB C 4.746 -3.036 1.350 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_2l2w 1
. 6 . 1048 . 1 1 5 ALA H H 2.801 -3.903 -0.602 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_2l2w 1
. 6 . 1049 . 1 1 5 ALA HA H 3.012 -1.810 1.445 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_2l2w 1
. 6 . 1050 . 1 1 5 ALA HB1 H 5.286 -3.613 0.615 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . rr_2l2w 1
. 6 . 1051 . 1 1 5 ALA HB2 H 4.431 -3.682 2.156 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_2l2w 1
. 6 . 1052 . 1 1 5 ALA HB3 H 5.386 -2.258 1.741 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_2l2w 1
. 6 . 1053 . 1 1 5 ALA N N 2.607 -3.440 0.240 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_2l2w 1
. 6 . 1054 . 1 1 5 ALA O O 4.543 -1.980 -1.417 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_2l2w 1
. 6 . 1055 . 1 1 6 SER C C 2.672 0.348 -2.579 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2l2w 1
. 6 . 1056 . 1 1 6 SER CA C 3.677 0.691 -1.581 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2l2w 1
. 6 . 1057 . 1 1 6 SER CB C 5.121 0.693 -2.164 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2l2w 1
. 6 . 1058 . 1 1 6 SER H H 3.189 0.109 0.468 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2l2w 1
. 6 . 1059 . 1 1 6 SER HB2 H 5.342 -0.266 -2.603 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2l2w 1
. 6 . 1060 . 1 1 6 SER HB3 H 5.202 1.459 -2.922 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2l2w 1
. 6 . 1061 . 1 1 6 SER N N 3.557 -0.228 -0.382 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2l2w 1
. 6 . 1062 . 1 1 7 . C C -0.586 0.679 -4.004 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 C . . . . . . . . . rr_2l2w 1
. 6 . 1063 . 1 1 7 . CA C 0.780 0.303 -3.699 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CA . . . . . . . . . rr_2l2w 1
. 6 . 1064 . 1 1 7 . CB C 1.508 -0.656 -4.465 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CB . . . . . . . . . rr_2l2w 1
. 6 . 1065 . 1 1 7 . HB H 1.136 -1.191 -5.326 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 HB . . . . . . . . . rr_2l2w 1
. 6 . 1066 . 1 1 7 . N N 1.473 0.827 -2.667 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 N . . . . . . . . . rr_2l2w 1
. 6 . 1067 . 1 1 7 . O O -1.234 0.251 -4.959 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 O . . . . . . . . . rr_2l2w 1
. 6 . 1068 . 1 1 7 . SG S 3.045 -0.816 -3.795 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 SG . . . . . . . . . rr_2l2w 1
. 6 . 1069 . 1 1 8 THR C C -2.494 3.545 -2.963 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2l2w 1
. 6 . 1070 . 1 1 8 THR CA C -2.451 2.041 -3.217 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2l2w 1
. 6 . 1071 . 1 1 8 THR CB C -3.393 1.330 -2.222 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2l2w 1
. 6 . 1072 . 1 1 8 THR CG2 C -2.937 1.534 -0.782 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2l2w 1
. 6 . 1073 . 1 1 8 THR H H -0.522 1.833 -2.372 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2l2w 1
. 6 . 1074 . 1 1 8 THR HA H -2.808 1.845 -4.218 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2l2w 1
. 6 . 1075 . 1 1 8 THR HB H -3.384 0.272 -2.437 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2l2w 1
. 6 . 1076 . 1 1 8 THR HG1 H -4.776 2.726 -2.057 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2l2w 1
. 6 . 1077 . 1 1 8 THR HG21 H -3.119 2.558 -0.487 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2l2w 1
. 6 . 1078 . 1 1 8 THR HG22 H -1.881 1.320 -0.704 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2l2w 1
. 6 . 1079 . 1 1 8 THR HG23 H -3.487 0.870 -0.132 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2l2w 1
. 6 . 1080 . 1 1 8 THR N N -1.087 1.535 -3.116 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2l2w 1
. 6 . 1081 . 1 1 8 THR O O -1.499 4.144 -2.556 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2l2w 1
. 6 . 1082 . 1 1 8 THR OG1 O -4.730 1.821 -2.374 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2l2w 1
. 6 . 1083 . 1 1 9 DBU C C -4.835 5.928 -1.926 . . . 1.0 . . . . . . . . . . . . A . 8 DBU C . . . . . . . . . rr_2l2w 1
. 6 . 1084 . 1 1 9 DBU CA C -3.911 5.581 -3.033 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CA . . . . . . . . . rr_2l2w 1
. 6 . 1085 . 1 1 9 DBU CB C -3.380 6.537 -3.791 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CB . . . . . . . . . rr_2l2w 1
. 6 . 1086 . 1 1 9 DBU CG C -2.419 6.248 -4.955 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CG . . . . . . . . . rr_2l2w 1
. 6 . 1087 . 1 1 9 DBU HG1 H -2.125 7.177 -5.419 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG1 . . . . . . . . . rr_2l2w 1
. 6 . 1088 . 1 1 9 DBU HG2 H -2.913 5.622 -5.683 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG2 . . . . . . . . . rr_2l2w 1
. 6 . 1089 . 1 1 9 DBU HG3 H -1.542 5.739 -4.579 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG3 . . . . . . . . . rr_2l2w 1
. 6 . 1090 . 1 1 9 DBU N N -3.652 4.149 -3.206 . . . 1.0 . . . . . . . . . . . . A . 8 DBU N . . . . . . . . . rr_2l2w 1
. 6 . 1091 . 1 1 10 . C C -6.177 4.974 1.241 . . . 1.0 . . . . . . . . . . . . A . 9 DCY C . . . . . . . . . rr_2l2w 1
. 6 . 1092 . 1 1 10 . CA C -6.232 5.643 -0.119 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CA . . . . . . . . . rr_2l2w 1
. 6 . 1093 . 1 1 10 . CB C -5.860 7.120 0.002 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CB . . . . . . . . . rr_2l2w 1
. 6 . 1094 . 1 1 10 . HA H -7.245 5.585 -0.485 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HA . . . . . . . . . rr_2l2w 1
. 6 . 1095 . 1 1 10 . HB2 H -6.727 7.702 0.297 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB2 . . . . . . . . . rr_2l2w 1
. 6 . 1096 . 1 1 10 . HB3 H -5.051 7.254 0.698 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB3 . . . . . . . . . rr_2l2w 1
. 6 . 1097 . 1 1 10 . N N -5.342 5.034 -1.119 . . . 1.0 . . . . . . . . . . . . A . 9 DCY N . . . . . . . . . rr_2l2w 1
. 6 . 1098 . 1 1 10 . O O -6.200 5.686 2.245 . . . 1.0 . . . . . . . . . . . . A . 9 DCY O . . . . . . . . . rr_2l2w 1
. 6 . 1099 . 1 1 10 . SG S -5.307 7.571 -1.647 . . . 1.0 . . . . . . . . . . . . A . 9 DCY SG . . . . . . . . . rr_2l2w 1
. 6 . 1100 . 1 1 11 . C C -4.935 3.027 3.361 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 C . . . . . . . . . rr_2l2w 1
. 6 . 1101 . 1 1 11 . CA C -6.235 2.927 2.559 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CA . . . . . . . . . rr_2l2w 1
. 6 . 1102 . 1 1 11 . CB C -6.649 1.434 2.324 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CB . . . . . . . . . rr_2l2w 1
. 6 . 1103 . 1 1 11 . CD1 C -8.550 0.091 1.123 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CD1 . . . . . . . . . rr_2l2w 1
. 6 . 1104 . 1 1 11 . CG1 C -7.859 1.434 1.322 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG1 . . . . . . . . . rr_2l2w 1
. 6 . 1105 . 1 1 11 . CG2 C -7.030 0.782 3.618 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG2 . . . . . . . . . rr_2l2w 1
. 6 . 1106 . 1 1 11 . H H -5.971 3.138 0.465 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 H . . . . . . . . . rr_2l2w 1
. 6 . 1107 . 1 1 11 . HA H -7.021 3.414 3.119 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HA . . . . . . . . . rr_2l2w 1
. 6 . 1108 . 1 1 11 . HD11 H -9.213 -0.098 1.954 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD11 . . . . . . . . . rr_2l2w 1
. 6 . 1109 . 1 1 11 . HD12 H -7.809 -0.692 1.072 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD12 . . . . . . . . . rr_2l2w 1
. 6 . 1110 . 1 1 11 . HD13 H -9.120 0.109 0.206 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD13 . . . . . . . . . rr_2l2w 1
. 6 . 1111 . 1 1 11 . HD2 H -9.045 3.003 1.156 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD2 . . . . . . . . . rr_2l2w 1
. 6 . 1112 . 1 1 11 . HG1 H -7.521 1.781 0.357 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG1 . . . . . . . . . rr_2l2w 1
. 6 . 1113 . 1 1 11 . HG21 H -7.906 1.268 4.021 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG21 . . . . . . . . . rr_2l2w 1
. 6 . 1114 . 1 1 11 . HG22 H -6.215 0.871 4.321 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG22 . . . . . . . . . rr_2l2w 1
. 6 . 1115 . 1 1 11 . HG23 H -7.244 -0.262 3.449 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG23 . . . . . . . . . rr_2l2w 1
. 6 . 1116 . 1 1 11 . HG3 H -5.452 1.023 0.830 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG3 . . . . . . . . . rr_2l2w 1
. 6 . 1117 . 1 1 11 . N N -6.109 3.645 1.293 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 N . . . . . . . . . rr_2l2w 1
. 6 . 1118 . 1 1 11 . OD2 O -8.809 2.373 1.841 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OD2 . . . . . . . . . rr_2l2w 1
. 6 . 1119 . 1 1 11 . OG3 O -5.564 0.737 1.741 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OG3 . . . . . . . . . rr_2l2w 1
. 6 . 1120 . 1 1 12 . C C -1.456 2.336 3.837 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 C . . . . . . . . . rr_2l2w 1
. 6 . 1121 . 1 1 12 . CA C -2.834 2.777 3.943 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CA . . . . . . . . . rr_2l2w 1
. 6 . 1122 . 1 1 12 . CB C -3.290 3.539 5.062 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CB . . . . . . . . . rr_2l2w 1
. 6 . 1123 . 1 1 12 . HB H -2.684 3.847 5.900 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 HB . . . . . . . . . rr_2l2w 1
. 6 . 1124 . 1 1 12 . N N -3.792 2.516 3.018 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 N . . . . . . . . . rr_2l2w 1
. 6 . 1125 . 1 1 12 . O O -0.589 2.585 4.676 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 O . . . . . . . . . rr_2l2w 1
. 6 . 1126 . 1 1 12 . SG S -4.924 3.874 4.856 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 SG . . . . . . . . . rr_2l2w 1
. 6 . 1127 . 1 1 13 THR C C 0.755 1.871 1.273 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_2l2w 1
. 6 . 1128 . 1 1 13 THR CA C 0.149 1.138 2.457 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_2l2w 1
. 6 . 1129 . 1 1 13 THR CB C 0.188 -0.383 2.215 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_2l2w 1
. 6 . 1130 . 1 1 13 THR CG2 C -0.004 -1.142 3.510 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_2l2w 1
. 6 . 1131 . 1 1 13 THR H H -1.928 1.424 2.114 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_2l2w 1
. 6 . 1132 . 1 1 13 THR HA H 0.753 1.338 3.329 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_2l2w 1
. 6 . 1133 . 1 1 13 THR HB H 1.149 -0.652 1.800 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_2l2w 1
. 6 . 1134 . 1 1 13 THR HG21 H 0.945 -1.205 4.022 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_2l2w 1
. 6 . 1135 . 1 1 13 THR HG22 H -0.365 -2.136 3.294 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_2l2w 1
. 6 . 1136 . 1 1 13 THR HG23 H -0.716 -0.622 4.131 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_2l2w 1
. 6 . 1137 . 1 1 13 THR N N -1.201 1.624 2.740 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_2l2w 1
. 6 . 1138 . 1 1 13 THR OG1 O -0.899 -0.800 1.295 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_2l2w 1
. 6 . 1139 . 1 1 14 . C C 3.471 2.152 -1.031 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 C . . . . . . . . . rr_2l2w 1
. 6 . 1140 . 1 1 14 . CA C 2.186 2.372 -0.293 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CA . . . . . . . . . rr_2l2w 1
. 6 . 1141 . 1 1 14 . CB C 1.203 3.377 -0.563 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CB . . . . . . . . . rr_2l2w 1
. 6 . 1142 . 1 1 14 . HB H 1.257 4.119 -1.345 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 HB . . . . . . . . . rr_2l2w 1
. 6 . 1143 . 1 1 14 . N N 1.884 1.566 0.737 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 N . . . . . . . . . rr_2l2w 1
. 6 . 1144 . 1 1 14 . SG S -0.054 3.203 0.547 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 SG . . . . . . . . . rr_2l2w 1
. 6 . 1145 . 1 1 15 . C C 6.643 2.455 0.899 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 C . . . . . . . . . rr_2l2w 1
. 6 . 1146 . 1 1 15 . CA C 5.672 1.996 -0.117 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CA . . . . . . . . . rr_2l2w 1
. 6 . 1147 . 1 1 15 . CB C 6.141 0.977 -1.068 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CB . . . . . . . . . rr_2l2w 1
. 6 . 1148 . 1 1 15 . HB2 H 6.335 0.060 -0.535 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB2 . . . . . . . . . rr_2l2w 1
. 6 . 1149 . 1 1 15 . HB3 H 7.058 1.314 -1.534 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB3 . . . . . . . . . rr_2l2w 1
. 6 . 1150 . 1 1 15 . N N 4.508 2.539 -0.060 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 N . . . . . . . . . rr_2l2w 1
. 6 . 1151 . 1 1 16 . C C 9.920 2.309 2.280 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 C . . . . . . . . . rr_2l2w 1
. 6 . 1152 . 1 1 16 . CA C 8.535 2.609 1.982 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CA . . . . . . . . . rr_2l2w 1
. 6 . 1153 . 1 1 16 . CB C 7.766 3.548 2.740 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CB . . . . . . . . . rr_2l2w 1
. 6 . 1154 . 1 1 16 . HB H 8.121 4.115 3.588 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 HB . . . . . . . . . rr_2l2w 1
. 6 . 1155 . 1 1 16 . N N 7.858 2.030 0.966 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 N . . . . . . . . . rr_2l2w 1
. 6 . 1156 . 1 1 16 . O O 10.557 2.814 3.204 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 O . . . . . . . . . rr_2l2w 1
. 6 . 1157 . 1 1 16 . SG S 6.213 3.621 2.088 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 SG . . . . . . . . . rr_2l2w 1
. 6 . 1158 . 1 1 17 DHA C C 12.053 -0.070 0.376 . . . 1.0 . . . . . . . . . . . . A . 16 DHA C . . . . . . . . . rr_2l2w 1
. 6 . 1159 . 1 1 17 DHA CA C 11.817 0.900 1.433 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CA . . . . . . . . . rr_2l2w 1
. 6 . 1160 . 1 1 17 DHA CB C 12.777 1.245 2.279 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CB . . . . . . . . . rr_2l2w 1
. 6 . 1161 . 1 1 17 DHA H H 9.833 1.077 0.739 . . . 1.0 . . . . . . . . . . . . A . 16 DHA H . . . . . . . . . rr_2l2w 1
. 6 . 1162 . 1 1 17 DHA HB1 H 12.583 1.966 3.057 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB1 . . . . . . . . . rr_2l2w 1
. 6 . 1163 . 1 1 17 DHA HB2 H 13.757 0.802 2.191 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB2 . . . . . . . . . rr_2l2w 1
. 6 . 1164 . 1 1 17 DHA N N 10.437 1.419 1.431 . . . 1.0 . . . . . . . . . . . . A . 16 DHA N . . . . . . . . . rr_2l2w 1
. 6 . 1165 . 1 1 17 DHA O O 11.104 -0.329 -0.362 . . . 1.0 . . . . . . . . . . . . A . 16 DHA O . . . . . . . . . rr_2l2w 1
. 6 . 1166 . 1 1 18 DHA C C 15.040 -2.065 -0.607 . . . 1.0 . . . . . . . . . . . . A . 17 DHA C . . . . . . . . . rr_2l2w 1
. 6 . 1167 . 1 1 18 DHA CA C 13.665 -1.619 -0.764 . . . 1.0 . . . . . . . . . . . . A . 17 DHA CA . . . . . . . . . rr_2l2w 1
. 6 . 1168 . 1 1 18 DHA CB C 12.900 -2.090 -1.740 . . . 1.0 . . . . . . . . . . . . A . 17 DHA CB . . . . . . . . . rr_2l2w 1
. 6 . 1169 . 1 1 18 DHA H H 13.940 -0.353 0.901 . . . 1.0 . . . . . . . . . . . . A . 17 DHA H . . . . . . . . . rr_2l2w 1
. 6 . 1170 . 1 1 18 DHA HB1 H 11.881 -1.750 -1.844 . . . 1.0 . . . . . . . . . . . . A . 17 DHA HB1 . . . . . . . . . rr_2l2w 1
. 6 . 1171 . 1 1 18 DHA HB2 H 13.297 -2.817 -2.433 . . . 1.0 . . . . . . . . . . . . A . 17 DHA HB2 . . . . . . . . . rr_2l2w 1
. 6 . 1172 . 1 1 18 DHA N N 13.261 -0.629 0.251 . . . 1.0 . . . . . . . . . . . . A . 17 DHA N . . . . . . . . . rr_2l2w 1
. 6 . 1173 . 1 1 18 DHA O O 15.689 -1.585 0.321 . . . 1.0 . . . . . . . . . . . . A . 17 DHA O . . . . . . . . . rr_2l2w 1
. 6 . 1174 . 1 1 19 NH2 HN1 H 16.470 -3.255 -1.343 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN1 . . . . . . . . . rr_2l2w 1
. 6 . 1175 . 1 1 19 NH2 HN2 H 14.981 -3.307 -2.176 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN2 . . . . . . . . . rr_2l2w 1
. 6 . 1176 . 1 1 19 NH2 N N 15.543 -2.958 -1.454 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 N . . . . . . . . . rr_2l2w 1
. 7 . 1177 . 1 1 1 QUA C10 C -3.826 -2.496 -2.238 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C10 . . . . . . . . . rr_2l2w 1
. 7 . 1178 . 1 1 1 QUA C11 C -0.536 -1.162 0.084 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C11 . . . . . . . . . rr_2l2w 1
. 7 . 1179 . 1 1 1 QUA C13 C -2.286 -2.966 -4.222 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C13 . . . . . . . . . rr_2l2w 1
. 7 . 1180 . 1 1 1 QUA C14 C -2.198 -4.484 -4.264 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C14 . . . . . . . . . rr_2l2w 1
. 7 . 1181 . 1 1 1 QUA C2 C -1.716 -1.629 -0.711 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C2 . . . . . . . . . rr_2l2w 1
. 7 . 1182 . 1 1 1 QUA C3 C -1.471 -2.053 -2.009 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C3 . . . . . . . . . rr_2l2w 1
. 7 . 1183 . 1 1 1 QUA C4 C -2.537 -2.495 -2.792 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C4 . . . . . . . . . rr_2l2w 1
. 7 . 1184 . 1 1 1 QUA C5 C -5.010 -2.941 -2.989 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C5 . . . . . . . . . rr_2l2w 1
. 7 . 1185 . 1 1 1 QUA C6 C -6.129 -3.226 -2.397 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C6 . . . . . . . . . rr_2l2w 1
. 7 . 1186 . 1 1 1 QUA C7 C -6.295 -3.126 -0.877 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C7 . . . . . . . . . rr_2l2w 1
. 7 . 1187 . 1 1 1 QUA C8 C -5.356 -2.038 -0.281 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C8 . . . . . . . . . rr_2l2w 1
. 7 . 1188 . 1 1 1 QUA C9 C -3.977 -2.056 -0.932 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C9 . . . . . . . . . rr_2l2w 1
. 7 . 1189 . 1 1 1 QUA H13 H -3.102 -2.656 -4.855 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H13 . . . . . . . . . rr_2l2w 1
. 7 . 1190 . 1 1 1 QUA H141 H -3.136 -4.909 -3.935 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H141 . . . . . . . . . rr_2l2w 1
. 7 . 1191 . 1 1 1 QUA H142 H -1.403 -4.818 -3.613 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H142 . . . . . . . . . rr_2l2w 1
. 7 . 1192 . 1 1 1 QUA H143 H -1.994 -4.806 -5.274 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H143 . . . . . . . . . rr_2l2w 1
. 7 . 1193 . 1 1 1 QUA H15 H -0.521 -3.115 -5.094 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H15 . . . . . . . . . rr_2l2w 1
. 7 . 1194 . 1 1 1 QUA H16 H -5.309 -0.067 -0.310 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H16 . . . . . . . . . rr_2l2w 1
. 7 . 1195 . 1 1 1 QUA HC3 H -0.468 -2.040 -2.409 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC3 . . . . . . . . . rr_2l2w 1
. 7 . 1196 . 1 1 1 QUA HC5 H -4.951 -3.030 -4.063 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC5 . . . . . . . . . rr_2l2w 1
. 7 . 1197 . 1 1 1 QUA HC6 H -6.969 -3.547 -2.995 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC6 . . . . . . . . . rr_2l2w 1
. 7 . 1198 . 1 1 1 QUA HC71 H -7.315 -2.872 -0.641 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC71 . . . . . . . . . rr_2l2w 1
. 7 . 1199 . 1 1 1 QUA HC8 H -5.254 -2.227 0.778 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC8 . . . . . . . . . rr_2l2w 1
. 7 . 1200 . 1 1 1 QUA N1 N -2.954 -1.619 -0.146 . . . 1.0 . . . . . . . . . . . . A . 0 QUA N1 . . . . . . . . . rr_2l2w 1
. 7 . 1201 . 1 1 1 QUA O12 O 0.608 -1.140 -0.368 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O12 . . . . . . . . . rr_2l2w 1
. 7 . 1202 . 1 1 1 QUA O15 O -1.070 -2.410 -4.741 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O15 . . . . . . . . . rr_2l2w 1
. 7 . 1203 . 1 1 1 QUA O16 O -5.964 -0.752 -0.453 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O16 . . . . . . . . . rr_2l2w 1
. 7 . 1204 . 1 1 2 ILE C C -5.123 -4.879 1.957 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2l2w 1
. 7 . 1205 . 1 1 2 ILE CA C -6.357 -4.630 1.113 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2l2w 1
. 7 . 1206 . 1 1 2 ILE CB C -7.363 -5.779 1.333 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2l2w 1
. 7 . 1207 . 1 1 2 ILE CD1 C -7.717 -8.274 0.918 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2l2w 1
. 7 . 1208 . 1 1 2 ILE CG1 C -6.921 -7.032 0.570 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2l2w 1
. 7 . 1209 . 1 1 2 ILE CG2 C -8.757 -5.342 0.901 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2l2w 1
. 7 . 1210 . 1 1 2 ILE H H -5.052 -4.684 -0.452 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H . . . . . . . . . rr_2l2w 1
. 7 . 1211 . 1 1 2 ILE HA H -6.811 -3.715 1.444 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2l2w 1
. 7 . 1212 . 1 1 2 ILE HB H -7.396 -6.002 2.390 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2l2w 1
. 7 . 1213 . 1 1 2 ILE HD11 H -7.655 -8.454 1.981 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2l2w 1
. 7 . 1214 . 1 1 2 ILE HD12 H -7.313 -9.121 0.384 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2l2w 1
. 7 . 1215 . 1 1 2 ILE HD13 H -8.750 -8.130 0.637 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2l2w 1
. 7 . 1216 . 1 1 2 ILE HG12 H -7.032 -6.856 -0.490 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2l2w 1
. 7 . 1217 . 1 1 2 ILE HG13 H -5.883 -7.232 0.789 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2l2w 1
. 7 . 1218 . 1 1 2 ILE HG21 H -9.471 -6.113 1.152 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2l2w 1
. 7 . 1219 . 1 1 2 ILE HG22 H -8.767 -5.176 -0.166 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2l2w 1
. 7 . 1220 . 1 1 2 ILE HG23 H -9.022 -4.428 1.411 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2l2w 1
. 7 . 1221 . 1 1 2 ILE N N -6.003 -4.484 -0.330 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2l2w 1
. 7 . 1222 . 1 1 2 ILE O O -5.171 -4.799 3.185 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2l2w 1
. 7 . 1223 . 1 1 3 ALA C C -1.624 -5.625 0.984 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2l2w 1
. 7 . 1224 . 1 1 3 ALA CA C -2.779 -5.516 1.974 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2l2w 1
. 7 . 1225 . 1 1 3 ALA CB C -2.963 -6.816 2.734 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2l2w 1
. 7 . 1226 . 1 1 3 ALA H H -4.026 -5.149 0.310 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2l2w 1
. 7 . 1227 . 1 1 3 ALA HA H -2.560 -4.735 2.686 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2l2w 1
. 7 . 1228 . 1 1 3 ALA HB1 H -3.842 -6.738 3.362 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2l2w 1
. 7 . 1229 . 1 1 3 ALA HB2 H -2.096 -7.003 3.348 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2l2w 1
. 7 . 1230 . 1 1 3 ALA HB3 H -3.095 -7.626 2.033 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2l2w 1
. 7 . 1231 . 1 1 3 ALA N N -4.013 -5.169 1.290 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2l2w 1
. 7 . 1232 . 1 1 3 ALA O O -1.674 -6.420 0.046 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2l2w 1
. 7 . 1233 . 1 1 4 DHA C C 1.564 -3.728 0.906 . . . 1.0 . . . . . . . . . . . . A . 3 DHA C . . . . . . . . . rr_2l2w 1
. 7 . 1234 . 1 1 4 DHA CA C 0.569 -4.610 0.326 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CA . . . . . . . . . rr_2l2w 1
. 7 . 1235 . 1 1 4 DHA CB C 0.730 -5.122 -0.886 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CB . . . . . . . . . rr_2l2w 1
. 7 . 1236 . 1 1 4 DHA H H -0.582 -4.342 2.069 . . . 1.0 . . . . . . . . . . . . A . 3 DHA H . . . . . . . . . rr_2l2w 1
. 7 . 1237 . 1 1 4 DHA HB1 H -0.024 -5.765 -1.311 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB1 . . . . . . . . . rr_2l2w 1
. 7 . 1238 . 1 1 4 DHA HB2 H 1.616 -4.886 -1.457 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB2 . . . . . . . . . rr_2l2w 1
. 7 . 1239 . 1 1 4 DHA N N -0.581 -4.825 1.216 . . . 1.0 . . . . . . . . . . . . A . 3 DHA N . . . . . . . . . rr_2l2w 1
. 7 . 1240 . 1 1 4 DHA O O 1.340 -3.289 2.033 . . . 1.0 . . . . . . . . . . . . A . 3 DHA O . . . . . . . . . rr_2l2w 1
. 7 . 1241 . 1 1 5 ALA C C 3.964 -1.498 -0.499 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_2l2w 1
. 7 . 1242 . 1 1 5 ALA CA C 3.585 -2.403 0.663 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_2l2w 1
. 7 . 1243 . 1 1 5 ALA CB C 4.817 -3.052 1.272 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_2l2w 1
. 7 . 1244 . 1 1 5 ALA H H 2.828 -3.895 -0.626 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_2l2w 1
. 7 . 1245 . 1 1 5 ALA HA H 3.099 -1.812 1.426 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_2l2w 1
. 7 . 1246 . 1 1 5 ALA HB1 H 5.352 -3.595 0.507 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . rr_2l2w 1
. 7 . 1247 . 1 1 5 ALA HB2 H 4.511 -3.735 2.052 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_2l2w 1
. 7 . 1248 . 1 1 5 ALA HB3 H 5.458 -2.289 1.689 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_2l2w 1
. 7 . 1249 . 1 1 5 ALA N N 2.650 -3.422 0.213 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_2l2w 1
. 7 . 1250 . 1 1 5 ALA O O 4.594 -1.948 -1.456 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_2l2w 1
. 7 . 1251 . 1 1 6 SER C C 2.654 0.367 -2.593 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2l2w 1
. 7 . 1252 . 1 1 6 SER CA C 3.668 0.709 -1.604 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2l2w 1
. 7 . 1253 . 1 1 6 SER CB C 5.107 0.724 -2.204 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2l2w 1
. 7 . 1254 . 1 1 6 SER H H 3.180 0.099 0.437 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2l2w 1
. 7 . 1255 . 1 1 6 SER HB2 H 5.326 -0.227 -2.660 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2l2w 1
. 7 . 1256 . 1 1 6 SER HB3 H 5.175 1.502 -2.950 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2l2w 1
. 7 . 1257 . 1 1 6 SER N N 3.565 -0.224 -0.413 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2l2w 1
. 7 . 1258 . 1 1 7 . C C -0.615 0.681 -4.005 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 C . . . . . . . . . rr_2l2w 1
. 7 . 1259 . 1 1 7 . CA C 0.754 0.314 -3.702 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CA . . . . . . . . . rr_2l2w 1
. 7 . 1260 . 1 1 7 . CB C 1.478 -0.650 -4.465 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CB . . . . . . . . . rr_2l2w 1
. 7 . 1261 . 1 1 7 . HB H 1.101 -1.189 -5.322 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 HB . . . . . . . . . rr_2l2w 1
. 7 . 1262 . 1 1 7 . N N 1.451 0.844 -2.675 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 N . . . . . . . . . rr_2l2w 1
. 7 . 1263 . 1 1 7 . O O -1.265 0.231 -4.949 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 O . . . . . . . . . rr_2l2w 1
. 7 . 1264 . 1 1 7 . SG S 3.018 -0.804 -3.805 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 SG . . . . . . . . . rr_2l2w 1
. 7 . 1265 . 1 1 8 THR C C -2.548 3.558 -3.007 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2l2w 1
. 7 . 1266 . 1 1 8 THR CA C -2.484 2.052 -3.249 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2l2w 1
. 7 . 1267 . 1 1 8 THR CB C -3.426 1.336 -2.259 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2l2w 1
. 7 . 1268 . 1 1 8 THR CG2 C -2.992 1.564 -0.815 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2l2w 1
. 7 . 1269 . 1 1 8 THR H H -0.551 1.878 -2.404 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2l2w 1
. 7 . 1270 . 1 1 8 THR HA H -2.832 1.847 -4.252 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2l2w 1
. 7 . 1271 . 1 1 8 THR HB H -3.395 0.275 -2.463 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2l2w 1
. 7 . 1272 . 1 1 8 THR HG1 H -5.381 1.077 -2.286 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2l2w 1
. 7 . 1273 . 1 1 8 THR HG21 H -1.937 1.356 -0.720 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2l2w 1
. 7 . 1274 . 1 1 8 THR HG22 H -3.548 0.905 -0.165 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2l2w 1
. 7 . 1275 . 1 1 8 THR HG23 H -3.186 2.590 -0.537 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2l2w 1
. 7 . 1276 . 1 1 8 THR N N -1.116 1.558 -3.137 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2l2w 1
. 7 . 1277 . 1 1 8 THR O O -1.553 4.179 -2.633 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2l2w 1
. 7 . 1278 . 1 1 8 THR OG1 O -4.770 1.801 -2.434 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2l2w 1
. 7 . 1279 . 1 1 9 DBU C C -4.918 5.898 -1.925 . . . 1.0 . . . . . . . . . . . . A . 8 DBU C . . . . . . . . . rr_2l2w 1
. 7 . 1280 . 1 1 9 DBU CA C -4.011 5.565 -3.051 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CA . . . . . . . . . rr_2l2w 1
. 7 . 1281 . 1 1 9 DBU CB C -3.522 6.528 -3.826 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CB . . . . . . . . . rr_2l2w 1
. 7 . 1282 . 1 1 9 DBU CG C -2.580 6.254 -5.009 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CG . . . . . . . . . rr_2l2w 1
. 7 . 1283 . 1 1 9 DBU HG1 H -2.346 7.185 -5.504 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG1 . . . . . . . . . rr_2l2w 1
. 7 . 1284 . 1 1 9 DBU HG2 H -3.064 5.587 -5.708 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG2 . . . . . . . . . rr_2l2w 1
. 7 . 1285 . 1 1 9 DBU HG3 H -1.670 5.799 -4.648 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG3 . . . . . . . . . rr_2l2w 1
. 7 . 1286 . 1 1 9 DBU N N -3.724 4.137 -3.221 . . . 1.0 . . . . . . . . . . . . A . 8 DBU N . . . . . . . . . rr_2l2w 1
. 7 . 1287 . 1 1 10 . C C -6.186 4.927 1.269 . . . 1.0 . . . . . . . . . . . . A . 9 DCY C . . . . . . . . . rr_2l2w 1
. 7 . 1288 . 1 1 10 . CA C -6.273 5.594 -0.090 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CA . . . . . . . . . rr_2l2w 1
. 7 . 1289 . 1 1 10 . CB C -5.919 7.076 0.020 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CB . . . . . . . . . rr_2l2w 1
. 7 . 1290 . 1 1 10 . HA H -7.292 5.521 -0.438 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HA . . . . . . . . . rr_2l2w 1
. 7 . 1291 . 1 1 10 . HB2 H -6.786 7.647 0.339 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB2 . . . . . . . . . rr_2l2w 1
. 7 . 1292 . 1 1 10 . HB3 H -5.094 7.223 0.695 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB3 . . . . . . . . . rr_2l2w 1
. 7 . 1293 . 1 1 10 . N N -5.393 4.997 -1.105 . . . 1.0 . . . . . . . . . . . . A . 9 DCY N . . . . . . . . . rr_2l2w 1
. 7 . 1294 . 1 1 10 . O O -6.162 5.643 2.273 . . . 1.0 . . . . . . . . . . . . A . 9 DCY O . . . . . . . . . rr_2l2w 1
. 7 . 1295 . 1 1 10 . SG S -5.417 7.531 -1.643 . . . 1.0 . . . . . . . . . . . . A . 9 DCY SG . . . . . . . . . rr_2l2w 1
. 7 . 1296 . 1 1 11 . C C -4.931 3.014 3.382 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 C . . . . . . . . . rr_2l2w 1
. 7 . 1297 . 1 1 11 . CA C -6.236 2.881 2.591 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CA . . . . . . . . . rr_2l2w 1
. 7 . 1298 . 1 1 11 . CB C -6.614 1.377 2.361 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CB . . . . . . . . . rr_2l2w 1
. 7 . 1299 . 1 1 11 . CD1 C -8.513 -0.025 1.227 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CD1 . . . . . . . . . rr_2l2w 1
. 7 . 1300 . 1 1 11 . CG1 C -7.901 1.350 1.462 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG1 . . . . . . . . . rr_2l2w 1
. 7 . 1301 . 1 1 11 . CG2 C -6.863 0.686 3.667 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG2 . . . . . . . . . rr_2l2w 1
. 7 . 1302 . 1 1 11 . H H -6.040 3.088 0.489 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 H . . . . . . . . . rr_2l2w 1
. 7 . 1303 . 1 1 11 . HA H -7.029 3.349 3.157 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HA . . . . . . . . . rr_2l2w 1
. 7 . 1304 . 1 1 11 . HD11 H -9.215 0.029 0.407 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD11 . . . . . . . . . rr_2l2w 1
. 7 . 1305 . 1 1 11 . HD12 H -9.029 -0.344 2.120 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD12 . . . . . . . . . rr_2l2w 1
. 7 . 1306 . 1 1 11 . HD13 H -7.735 -0.732 0.990 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD13 . . . . . . . . . rr_2l2w 1
. 7 . 1307 . 1 1 11 . HD2 H -9.385 2.652 1.463 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD2 . . . . . . . . . rr_2l2w 1
. 7 . 1308 . 1 1 11 . HG1 H -7.671 1.783 0.499 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG1 . . . . . . . . . rr_2l2w 1
. 7 . 1309 . 1 1 11 . HG21 H -5.974 0.731 4.276 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG21 . . . . . . . . . rr_2l2w 1
. 7 . 1310 . 1 1 11 . HG22 H -7.122 -0.346 3.487 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG22 . . . . . . . . . rr_2l2w 1
. 7 . 1311 . 1 1 11 . HG23 H -7.676 1.176 4.182 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG23 . . . . . . . . . rr_2l2w 1
. 7 . 1312 . 1 1 11 . HG3 H -5.460 -0.164 2.002 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG3 . . . . . . . . . rr_2l2w 1
. 7 . 1313 . 1 1 11 . N N -6.140 3.597 1.321 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 N . . . . . . . . . rr_2l2w 1
. 7 . 1314 . 1 1 11 . OD2 O -8.865 2.183 2.119 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OD2 . . . . . . . . . rr_2l2w 1
. 7 . 1315 . 1 1 11 . OG3 O -5.555 0.733 1.676 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OG3 . . . . . . . . . rr_2l2w 1
. 7 . 1316 . 1 1 12 . C C -1.441 2.382 3.838 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 C . . . . . . . . . rr_2l2w 1
. 7 . 1317 . 1 1 12 . CA C -2.824 2.804 3.951 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CA . . . . . . . . . rr_2l2w 1
. 7 . 1318 . 1 1 12 . CB C -3.281 3.575 5.063 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CB . . . . . . . . . rr_2l2w 1
. 7 . 1319 . 1 1 12 . HB H -2.674 3.904 5.892 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 HB . . . . . . . . . rr_2l2w 1
. 7 . 1320 . 1 1 12 . N N -3.783 2.516 3.039 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 N . . . . . . . . . rr_2l2w 1
. 7 . 1321 . 1 1 12 . O O -0.569 2.656 4.662 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 O . . . . . . . . . rr_2l2w 1
. 7 . 1322 . 1 1 12 . SG S -4.922 3.882 4.866 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 SG . . . . . . . . . rr_2l2w 1
. 7 . 1323 . 1 1 13 THR C C 0.754 1.889 1.271 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_2l2w 1
. 7 . 1324 . 1 1 13 THR CA C 0.158 1.168 2.466 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_2l2w 1
. 7 . 1325 . 1 1 13 THR CB C 0.200 -0.354 2.234 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_2l2w 1
. 7 . 1326 . 1 1 13 THR CG2 C 0.004 -1.105 3.531 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_2l2w 1
. 7 . 1327 . 1 1 13 THR H H -1.923 1.434 2.137 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_2l2w 1
. 7 . 1328 . 1 1 13 THR HA H 0.768 1.377 3.331 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_2l2w 1
. 7 . 1329 . 1 1 13 THR HB H 1.163 -0.624 1.825 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_2l2w 1
. 7 . 1330 . 1 1 13 THR HG21 H -0.300 -2.118 3.317 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_2l2w 1
. 7 . 1331 . 1 1 13 THR HG22 H -0.754 -0.614 4.124 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_2l2w 1
. 7 . 1332 . 1 1 13 THR HG23 H 0.939 -1.117 4.072 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_2l2w 1
. 7 . 1333 . 1 1 13 THR N N -1.192 1.652 2.752 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_2l2w 1
. 7 . 1334 . 1 1 13 THR OG1 O -0.883 -0.775 1.311 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_2l2w 1
. 7 . 1335 . 1 1 14 . C C 3.469 2.160 -1.032 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 C . . . . . . . . . rr_2l2w 1
. 7 . 1336 . 1 1 14 . CA C 2.179 2.380 -0.303 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CA . . . . . . . . . rr_2l2w 1
. 7 . 1337 . 1 1 14 . CB C 1.184 3.366 -0.592 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CB . . . . . . . . . rr_2l2w 1
. 7 . 1338 . 1 1 14 . HB H 1.228 4.095 -1.388 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 HB . . . . . . . . . rr_2l2w 1
. 7 . 1339 . 1 1 14 . N N 1.887 1.589 0.742 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 N . . . . . . . . . rr_2l2w 1
. 7 . 1340 . 1 1 14 . SG S -0.072 3.196 0.519 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 SG . . . . . . . . . rr_2l2w 1
. 7 . 1341 . 1 1 15 . C C 6.629 2.379 0.927 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 C . . . . . . . . . rr_2l2w 1
. 7 . 1342 . 1 1 15 . CA C 5.665 1.970 -0.118 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CA . . . . . . . . . rr_2l2w 1
. 7 . 1343 . 1 1 15 . CB C 6.140 0.997 -1.114 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CB . . . . . . . . . rr_2l2w 1
. 7 . 1344 . 1 1 15 . HB2 H 6.367 0.068 -0.618 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB2 . . . . . . . . . rr_2l2w 1
. 7 . 1345 . 1 1 15 . HB3 H 7.040 1.373 -1.585 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB3 . . . . . . . . . rr_2l2w 1
. 7 . 1346 . 1 1 15 . N N 4.498 2.508 -0.039 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 N . . . . . . . . . rr_2l2w 1
. 7 . 1347 . 1 1 16 . C C 9.902 2.175 2.316 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 C . . . . . . . . . rr_2l2w 1
. 7 . 1348 . 1 1 16 . CA C 8.516 2.481 2.027 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CA . . . . . . . . . rr_2l2w 1
. 7 . 1349 . 1 1 16 . CB C 7.736 3.369 2.835 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CB . . . . . . . . . rr_2l2w 1
. 7 . 1350 . 1 1 16 . HB H 8.082 3.889 3.716 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 HB . . . . . . . . . rr_2l2w 1
. 7 . 1351 . 1 1 16 . N N 7.847 1.956 0.975 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 N . . . . . . . . . rr_2l2w 1
. 7 . 1352 . 1 1 16 . O O 10.527 2.621 3.277 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 O . . . . . . . . . rr_2l2w 1
. 7 . 1353 . 1 1 16 . SG S 6.185 3.469 2.179 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 SG . . . . . . . . . rr_2l2w 1
. 7 . 1354 . 1 1 17 DHA C C 12.113 0.055 0.201 . . . 1.0 . . . . . . . . . . . . A . 16 DHA C . . . . . . . . . rr_2l2w 1
. 7 . 1355 . 1 1 17 DHA CA C 11.828 0.866 1.374 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CA . . . . . . . . . rr_2l2w 1
. 7 . 1356 . 1 1 17 DHA CB C 12.759 1.106 2.287 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CB . . . . . . . . . rr_2l2w 1
. 7 . 1357 . 1 1 17 DHA H H 9.844 1.063 0.683 . . . 1.0 . . . . . . . . . . . . A . 16 DHA H . . . . . . . . . rr_2l2w 1
. 7 . 1358 . 1 1 17 DHA HB1 H 12.531 1.712 3.149 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB1 . . . . . . . . . rr_2l2w 1
. 7 . 1359 . 1 1 17 DHA HB2 H 13.750 0.698 2.164 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB2 . . . . . . . . . rr_2l2w 1
. 7 . 1360 . 1 1 17 DHA N N 10.438 1.358 1.405 . . . 1.0 . . . . . . . . . . . . A . 16 DHA N . . . . . . . . . rr_2l2w 1
. 7 . 1361 . 1 1 17 DHA O O 11.190 -0.117 -0.595 . . . 1.0 . . . . . . . . . . . . A . 16 DHA O . . . . . . . . . rr_2l2w 1
. 7 . 1362 . 1 1 18 DHA C C 15.173 -1.721 -0.964 . . . 1.0 . . . . . . . . . . . . A . 17 DHA C . . . . . . . . . rr_2l2w 1
. 7 . 1363 . 1 1 18 DHA CA C 13.795 -1.279 -1.101 . . . 1.0 . . . . . . . . . . . . A . 17 DHA CA . . . . . . . . . rr_2l2w 1
. 7 . 1364 . 1 1 18 DHA CB C 13.073 -1.608 -2.164 . . . 1.0 . . . . . . . . . . . . A . 17 DHA CB . . . . . . . . . rr_2l2w 1
. 7 . 1365 . 1 1 18 DHA H H 13.986 -0.278 0.746 . . . 1.0 . . . . . . . . . . . . A . 17 DHA H . . . . . . . . . rr_2l2w 1
. 7 . 1366 . 1 1 18 DHA HB1 H 12.053 -1.272 -2.253 . . . 1.0 . . . . . . . . . . . . A . 17 DHA HB1 . . . . . . . . . rr_2l2w 1
. 7 . 1367 . 1 1 18 DHA HB2 H 13.509 -2.214 -2.945 . . . 1.0 . . . . . . . . . . . . A . 17 DHA HB2 . . . . . . . . . rr_2l2w 1
. 7 . 1368 . 1 1 18 DHA N N 13.335 -0.461 0.037 . . . 1.0 . . . . . . . . . . . . A . 17 DHA N . . . . . . . . . rr_2l2w 1
. 7 . 1369 . 1 1 18 DHA O O 15.781 -1.376 0.050 . . . 1.0 . . . . . . . . . . . . A . 17 DHA O . . . . . . . . . rr_2l2w 1
. 7 . 1370 . 1 1 19 NH2 HN1 H 16.653 -2.762 -1.818 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN1 . . . . . . . . . rr_2l2w 1
. 7 . 1371 . 1 1 19 NH2 HN2 H 15.193 -2.713 -2.703 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN2 . . . . . . . . . rr_2l2w 1
. 7 . 1372 . 1 1 19 NH2 N N 15.723 -2.467 -1.916 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 N . . . . . . . . . rr_2l2w 1
. 8 . 1373 . 1 1 1 QUA C10 C -3.856 -2.534 -2.263 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C10 . . . . . . . . . rr_2l2w 1
. 8 . 1374 . 1 1 1 QUA C11 C -0.557 -1.190 0.038 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C11 . . . . . . . . . rr_2l2w 1
. 8 . 1375 . 1 1 1 QUA C13 C -2.338 -2.955 -4.278 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C13 . . . . . . . . . rr_2l2w 1
. 8 . 1376 . 1 1 1 QUA C14 C -2.254 -4.474 -4.343 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C14 . . . . . . . . . rr_2l2w 1
. 8 . 1377 . 1 1 1 QUA C2 C -1.738 -1.661 -0.751 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C2 . . . . . . . . . rr_2l2w 1
. 8 . 1378 . 1 1 1 QUA C3 C -1.503 -2.062 -2.060 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C3 . . . . . . . . . rr_2l2w 1
. 8 . 1379 . 1 1 1 QUA C4 C -2.575 -2.507 -2.835 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C4 . . . . . . . . . rr_2l2w 1
. 8 . 1380 . 1 1 1 QUA C5 C -5.044 -2.981 -3.004 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C5 . . . . . . . . . rr_2l2w 1
. 8 . 1381 . 1 1 1 QUA C6 C -6.148 -3.297 -2.400 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C6 . . . . . . . . . rr_2l2w 1
. 8 . 1382 . 1 1 1 QUA C7 C -6.284 -3.231 -0.874 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C7 . . . . . . . . . rr_2l2w 1
. 8 . 1383 . 1 1 1 QUA C8 C -5.364 -2.130 -0.278 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C8 . . . . . . . . . rr_2l2w 1
. 8 . 1384 . 1 1 1 QUA C9 C -3.994 -2.116 -0.948 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C9 . . . . . . . . . rr_2l2w 1
. 8 . 1385 . 1 1 1 QUA H13 H -3.162 -2.635 -4.896 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H13 . . . . . . . . . rr_2l2w 1
. 8 . 1386 . 1 1 1 QUA H141 H -3.198 -4.901 -4.038 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H141 . . . . . . . . . rr_2l2w 1
. 8 . 1387 . 1 1 1 QUA H142 H -1.472 -4.820 -3.683 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H142 . . . . . . . . . rr_2l2w 1
. 8 . 1388 . 1 1 1 QUA H143 H -2.031 -4.779 -5.355 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H143 . . . . . . . . . rr_2l2w 1
. 8 . 1389 . 1 1 1 QUA H15 H -0.398 -2.992 -4.631 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H15 . . . . . . . . . rr_2l2w 1
. 8 . 1390 . 1 1 1 QUA H16 H -6.128 -0.665 -1.355 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H16 . . . . . . . . . rr_2l2w 1
. 8 . 1391 . 1 1 1 QUA HC3 H -0.505 -2.031 -2.472 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC3 . . . . . . . . . rr_2l2w 1
. 8 . 1392 . 1 1 1 QUA HC5 H -5.002 -3.045 -4.080 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC5 . . . . . . . . . rr_2l2w 1
. 8 . 1393 . 1 1 1 QUA HC6 H -6.995 -3.617 -2.988 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC6 . . . . . . . . . rr_2l2w 1
. 8 . 1394 . 1 1 1 QUA HC71 H -7.307 -3.013 -0.610 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC71 . . . . . . . . . rr_2l2w 1
. 8 . 1395 . 1 1 1 QUA HC8 H -5.240 -2.332 0.776 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC8 . . . . . . . . . rr_2l2w 1
. 8 . 1396 . 1 1 1 QUA N1 N -2.968 -1.677 -0.169 . . . 1.0 . . . . . . . . . . . . A . 0 QUA N1 . . . . . . . . . rr_2l2w 1
. 8 . 1397 . 1 1 1 QUA O12 O 0.590 -1.181 -0.413 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O12 . . . . . . . . . rr_2l2w 1
. 8 . 1398 . 1 1 1 QUA O15 O -1.129 -2.394 -4.801 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O15 . . . . . . . . . rr_2l2w 1
. 8 . 1399 . 1 1 1 QUA O16 O -5.998 -0.855 -0.423 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O16 . . . . . . . . . rr_2l2w 1
. 8 . 1400 . 1 1 2 ILE C C -5.070 -4.977 1.928 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2l2w 1
. 8 . 1401 . 1 1 2 ILE CA C -6.305 -4.803 1.065 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2l2w 1
. 8 . 1402 . 1 1 2 ILE CB C -7.224 -6.032 1.233 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2l2w 1
. 8 . 1403 . 1 1 2 ILE CD1 C -7.377 -8.543 0.786 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2l2w 1
. 8 . 1404 . 1 1 2 ILE CG1 C -6.625 -7.254 0.524 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2l2w 1
. 8 . 1405 . 1 1 2 ILE CG2 C -8.613 -5.722 0.694 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2l2w 1
. 8 . 1406 . 1 1 2 ILE H H -4.976 -4.744 -0.478 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H . . . . . . . . . rr_2l2w 1
. 8 . 1407 . 1 1 2 ILE HA H -6.835 -3.935 1.409 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2l2w 1
. 8 . 1408 . 1 1 2 ILE HB H -7.314 -6.244 2.289 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2l2w 1
. 8 . 1409 . 1 1 2 ILE HD11 H -7.480 -8.691 1.851 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2l2w 1
. 8 . 1410 . 1 1 2 ILE HD12 H -6.830 -9.371 0.360 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2l2w 1
. 8 . 1411 . 1 1 2 ILE HD13 H -8.356 -8.488 0.334 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2l2w 1
. 8 . 1412 . 1 1 2 ILE HG12 H -6.630 -7.081 -0.541 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2l2w 1
. 8 . 1413 . 1 1 2 ILE HG13 H -5.607 -7.392 0.856 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2l2w 1
. 8 . 1414 . 1 1 2 ILE HG21 H -9.284 -6.535 0.933 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2l2w 1
. 8 . 1415 . 1 1 2 ILE HG22 H -8.565 -5.600 -0.378 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2l2w 1
. 8 . 1416 . 1 1 2 ILE HG23 H -8.979 -4.811 1.143 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2l2w 1
. 8 . 1417 . 1 1 2 ILE N N -5.938 -4.593 -0.365 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2l2w 1
. 8 . 1418 . 1 1 2 ILE O O -5.123 -4.818 3.148 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2l2w 1
. 8 . 1419 . 1 1 3 ALA C C -1.545 -5.677 1.021 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2l2w 1
. 8 . 1420 . 1 1 3 ALA CA C -2.713 -5.561 1.994 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2l2w 1
. 8 . 1421 . 1 1 3 ALA CB C -2.857 -6.824 2.824 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2l2w 1
. 8 . 1422 . 1 1 3 ALA H H -3.966 -5.358 0.307 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2l2w 1
. 8 . 1423 . 1 1 3 ALA HA H -2.531 -4.735 2.666 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2l2w 1
. 8 . 1424 . 1 1 3 ALA HB1 H -2.933 -7.678 2.167 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2l2w 1
. 8 . 1425 . 1 1 3 ALA HB2 H -3.754 -6.752 3.424 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2l2w 1
. 8 . 1426 . 1 1 3 ALA HB3 H -1.997 -6.935 3.467 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2l2w 1
. 8 . 1427 . 1 1 3 ALA N N -3.953 -5.298 1.285 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2l2w 1
. 8 . 1428 . 1 1 3 ALA O O -1.580 -6.482 0.091 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2l2w 1
. 8 . 1429 . 1 1 4 DHA C C 1.619 -3.740 0.954 . . . 1.0 . . . . . . . . . . . . A . 3 DHA C . . . . . . . . . rr_2l2w 1
. 8 . 1430 . 1 1 4 DHA CA C 0.642 -4.640 0.373 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CA . . . . . . . . . rr_2l2w 1
. 8 . 1431 . 1 1 4 DHA CB C 0.814 -5.151 -0.839 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CB . . . . . . . . . rr_2l2w 1
. 8 . 1432 . 1 1 4 DHA H H -0.516 -4.389 2.112 . . . 1.0 . . . . . . . . . . . . A . 3 DHA H . . . . . . . . . rr_2l2w 1
. 8 . 1433 . 1 1 4 DHA HB1 H 0.071 -5.806 -1.265 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB1 . . . . . . . . . rr_2l2w 1
. 8 . 1434 . 1 1 4 DHA HB2 H 1.697 -4.902 -1.408 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB2 . . . . . . . . . rr_2l2w 1
. 8 . 1435 . 1 1 4 DHA N N -0.510 -4.869 1.258 . . . 1.0 . . . . . . . . . . . . A . 3 DHA N . . . . . . . . . rr_2l2w 1
. 8 . 1436 . 1 1 4 DHA O O 1.383 -3.300 2.076 . . . 1.0 . . . . . . . . . . . . A . 3 DHA O . . . . . . . . . rr_2l2w 1
. 8 . 1437 . 1 1 5 ALA C C 3.981 -1.481 -0.473 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_2l2w 1
. 8 . 1438 . 1 1 5 ALA CA C 3.613 -2.373 0.704 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_2l2w 1
. 8 . 1439 . 1 1 5 ALA CB C 4.854 -2.983 1.335 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_2l2w 1
. 8 . 1440 . 1 1 5 ALA H H 2.903 -3.905 -0.565 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_2l2w 1
. 8 . 1441 . 1 1 5 ALA HA H 3.107 -1.779 1.451 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_2l2w 1
. 8 . 1442 . 1 1 5 ALA HB1 H 5.392 -3.553 0.593 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . rr_2l2w 1
. 8 . 1443 . 1 1 5 ALA HB2 H 4.558 -3.635 2.144 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_2l2w 1
. 8 . 1444 . 1 1 5 ALA HB3 H 5.487 -2.197 1.718 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_2l2w 1
. 8 . 1445 . 1 1 5 ALA N N 2.705 -3.421 0.264 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_2l2w 1
. 8 . 1446 . 1 1 5 ALA O O 4.610 -1.940 -1.426 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_2l2w 1
. 8 . 1447 . 1 1 6 SER C C 2.639 0.360 -2.583 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2l2w 1
. 8 . 1448 . 1 1 6 SER CA C 3.663 0.709 -1.607 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2l2w 1
. 8 . 1449 . 1 1 6 SER CB C 5.095 0.722 -2.217 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2l2w 1
. 8 . 1450 . 1 1 6 SER H H 3.191 0.123 0.445 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2l2w 1
. 8 . 1451 . 1 1 6 SER HB2 H 5.310 -0.231 -2.672 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2l2w 1
. 8 . 1452 . 1 1 6 SER HB3 H 5.161 1.498 -2.965 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2l2w 1
. 8 . 1453 . 1 1 6 SER N N 3.572 -0.208 -0.404 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2l2w 1
. 8 . 1454 . 1 1 7 . C C -0.646 0.674 -3.952 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 C . . . . . . . . . rr_2l2w 1
. 8 . 1455 . 1 1 7 . CA C 0.726 0.302 -3.668 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CA . . . . . . . . . rr_2l2w 1
. 8 . 1456 . 1 1 7 . CB C 1.440 -0.664 -4.438 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CB . . . . . . . . . rr_2l2w 1
. 8 . 1457 . 1 1 7 . HB H 1.053 -1.207 -5.287 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 HB . . . . . . . . . rr_2l2w 1
. 8 . 1458 . 1 1 7 . N N 1.437 0.837 -2.653 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 N . . . . . . . . . rr_2l2w 1
. 8 . 1459 . 1 1 7 . O O -1.312 0.230 -4.887 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 O . . . . . . . . . rr_2l2w 1
. 8 . 1460 . 1 1 7 . SG S 2.989 -0.817 -3.795 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 SG . . . . . . . . . rr_2l2w 1
. 8 . 1461 . 1 1 8 THR C C -2.536 3.556 -2.910 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2l2w 1
. 8 . 1462 . 1 1 8 THR CA C -2.496 2.050 -3.150 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2l2w 1
. 8 . 1463 . 1 1 8 THR CB C -3.415 1.349 -2.128 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2l2w 1
. 8 . 1464 . 1 1 8 THR CG2 C -2.900 1.535 -0.706 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2l2w 1
. 8 . 1465 . 1 1 8 THR H H -0.547 1.862 -2.346 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2l2w 1
. 8 . 1466 . 1 1 8 THR HA H -2.872 1.842 -4.142 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2l2w 1
. 8 . 1467 . 1 1 8 THR HB H -3.433 0.293 -2.351 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2l2w 1
. 8 . 1468 . 1 1 8 THR HG1 H -5.264 1.312 -2.813 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2l2w 1
. 8 . 1469 . 1 1 8 THR HG21 H -3.440 0.880 -0.039 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2l2w 1
. 8 . 1470 . 1 1 8 THR HG22 H -3.046 2.560 -0.400 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2l2w 1
. 8 . 1471 . 1 1 8 THR HG23 H -1.847 1.296 -0.670 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2l2w 1
. 8 . 1472 . 1 1 8 THR N N -1.128 1.547 -3.071 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2l2w 1
. 8 . 1473 . 1 1 8 THR O O -1.540 4.156 -2.505 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2l2w 1
. 8 . 1474 . 1 1 8 THR OG1 O -4.747 1.868 -2.226 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2l2w 1
. 8 . 1475 . 1 1 9 DBU C C -4.875 5.973 -1.922 . . . 1.0 . . . . . . . . . . . . A . 8 DBU C . . . . . . . . . rr_2l2w 1
. 8 . 1476 . 1 1 9 DBU CA C -3.940 5.602 -3.012 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CA . . . . . . . . . rr_2l2w 1
. 8 . 1477 . 1 1 9 DBU CB C -3.393 6.543 -3.775 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CB . . . . . . . . . rr_2l2w 1
. 8 . 1478 . 1 1 9 DBU CG C -2.419 6.231 -4.922 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CG . . . . . . . . . rr_2l2w 1
. 8 . 1479 . 1 1 9 DBU HG1 H -1.538 5.748 -4.525 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG1 . . . . . . . . . rr_2l2w 1
. 8 . 1480 . 1 1 9 DBU HG2 H -2.135 7.150 -5.413 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG2 . . . . . . . . . rr_2l2w 1
. 8 . 1481 . 1 1 9 DBU HG3 H -2.899 5.576 -5.633 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG3 . . . . . . . . . rr_2l2w 1
. 8 . 1482 . 1 1 9 DBU N N -3.691 4.164 -3.163 . . . 1.0 . . . . . . . . . . . . A . 8 DBU N . . . . . . . . . rr_2l2w 1
. 8 . 1483 . 1 1 10 . C C -6.329 5.056 1.211 . . . 1.0 . . . . . . . . . . . . A . 9 DCY C . . . . . . . . . rr_2l2w 1
. 8 . 1484 . 1 1 10 . CA C -6.316 5.733 -0.145 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CA . . . . . . . . . rr_2l2w 1
. 8 . 1485 . 1 1 10 . CB C -5.883 7.189 -0.006 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CB . . . . . . . . . rr_2l2w 1
. 8 . 1486 . 1 1 10 . HA H -7.319 5.722 -0.540 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HA . . . . . . . . . rr_2l2w 1
. 8 . 1487 . 1 1 10 . HB2 H -6.726 7.806 0.292 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB2 . . . . . . . . . rr_2l2w 1
. 8 . 1488 . 1 1 10 . HB3 H -5.073 7.283 0.696 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB3 . . . . . . . . . rr_2l2w 1
. 8 . 1489 . 1 1 10 . N N -5.426 5.093 -1.126 . . . 1.0 . . . . . . . . . . . . A . 9 DCY N . . . . . . . . . rr_2l2w 1
. 8 . 1490 . 1 1 10 . O O -6.562 5.746 2.205 . . . 1.0 . . . . . . . . . . . . A . 9 DCY O . . . . . . . . . rr_2l2w 1
. 8 . 1491 . 1 1 10 . SG S -5.303 7.629 -1.646 . . . 1.0 . . . . . . . . . . . . A . 9 DCY SG . . . . . . . . . rr_2l2w 1
. 8 . 1492 . 1 1 11 . C C -4.957 3.064 3.345 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 C . . . . . . . . . rr_2l2w 1
. 8 . 1493 . 1 1 11 . CA C -6.251 3.009 2.526 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CA . . . . . . . . . rr_2l2w 1
. 8 . 1494 . 1 1 11 . CB C -6.697 1.531 2.253 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CB . . . . . . . . . rr_2l2w 1
. 8 . 1495 . 1 1 11 . CD1 C -8.617 0.255 1.008 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CD1 . . . . . . . . . rr_2l2w 1
. 8 . 1496 . 1 1 11 . CG1 C -7.941 1.589 1.296 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG1 . . . . . . . . . rr_2l2w 1
. 8 . 1497 . 1 1 11 . CG2 C -7.044 0.837 3.535 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG2 . . . . . . . . . rr_2l2w 1
. 8 . 1498 . 1 1 11 . H H -5.809 3.270 0.467 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 H . . . . . . . . . rr_2l2w 1
. 8 . 1499 . 1 1 11 . HA H -7.033 3.503 3.085 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HA . . . . . . . . . rr_2l2w 1
. 8 . 1500 . 1 1 11 . HD11 H -9.197 -0.047 1.867 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD11 . . . . . . . . . rr_2l2w 1
. 8 . 1501 . 1 1 11 . HD12 H -7.867 -0.492 0.802 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD12 . . . . . . . . . rr_2l2w 1
. 8 . 1502 . 1 1 11 . HD13 H -9.267 0.359 0.151 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD13 . . . . . . . . . rr_2l2w 1
. 8 . 1503 . 1 1 11 . HD2 H -8.855 3.326 1.507 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD2 . . . . . . . . . rr_2l2w 1
. 8 . 1504 . 1 1 11 . HG1 H -7.644 2.025 0.354 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG1 . . . . . . . . . rr_2l2w 1
. 8 . 1505 . 1 1 11 . HG21 H -6.183 0.831 4.187 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG21 . . . . . . . . . rr_2l2w 1
. 8 . 1506 . 1 1 11 . HG22 H -7.343 -0.179 3.327 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG22 . . . . . . . . . rr_2l2w 1
. 8 . 1507 . 1 1 11 . HG23 H -7.856 1.359 4.018 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG23 . . . . . . . . . rr_2l2w 1
. 8 . 1508 . 1 1 11 . HG3 H -5.653 1.047 0.669 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG3 . . . . . . . . . rr_2l2w 1
. 8 . 1509 . 1 1 11 . N N -6.094 3.747 1.274 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 N . . . . . . . . . rr_2l2w 1
. 8 . 1510 . 1 1 11 . OD2 O -8.887 2.463 1.926 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OD2 . . . . . . . . . rr_2l2w 1
. 8 . 1511 . 1 1 11 . OG3 O -5.645 0.839 1.606 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OG3 . . . . . . . . . rr_2l2w 1
. 8 . 1512 . 1 1 12 . C C -1.490 2.319 3.834 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 C . . . . . . . . . rr_2l2w 1
. 8 . 1513 . 1 1 12 . CA C -2.866 2.771 3.941 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CA . . . . . . . . . rr_2l2w 1
. 8 . 1514 . 1 1 12 . CB C -3.327 3.498 5.082 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CB . . . . . . . . . rr_2l2w 1
. 8 . 1515 . 1 1 12 . HB H -2.728 3.770 5.939 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 HB . . . . . . . . . rr_2l2w 1
. 8 . 1516 . 1 1 12 . N N -3.816 2.554 2.997 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 N . . . . . . . . . rr_2l2w 1
. 8 . 1517 . 1 1 12 . O O -0.634 2.522 4.696 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 O . . . . . . . . . rr_2l2w 1
. 8 . 1518 . 1 1 12 . SG S -4.955 3.857 4.870 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 SG . . . . . . . . . rr_2l2w 1
. 8 . 1519 . 1 1 13 THR C C 0.741 1.902 1.244 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_2l2w 1
. 8 . 1520 . 1 1 13 THR CA C 0.129 1.169 2.425 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_2l2w 1
. 8 . 1521 . 1 1 13 THR CB C 0.172 -0.351 2.180 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_2l2w 1
. 8 . 1522 . 1 1 13 THR CG2 C -0.020 -1.117 3.470 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_2l2w 1
. 8 . 1523 . 1 1 13 THR H H -1.942 1.496 2.060 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_2l2w 1
. 8 . 1524 . 1 1 13 THR HA H 0.731 1.370 3.298 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_2l2w 1
. 8 . 1525 . 1 1 13 THR HB H 1.137 -0.615 1.767 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_2l2w 1
. 8 . 1526 . 1 1 13 THR HG21 H 0.918 -1.146 4.003 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_2l2w 1
. 8 . 1527 . 1 1 13 THR HG22 H -0.341 -2.123 3.246 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_2l2w 1
. 8 . 1528 . 1 1 13 THR HG23 H -0.765 -0.624 4.075 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_2l2w 1
. 8 . 1529 . 1 1 13 THR N N -1.224 1.657 2.708 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_2l2w 1
. 8 . 1530 . 1 1 13 THR OG1 O -0.909 -0.772 1.254 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_2l2w 1
. 8 . 1531 . 1 1 14 . C C 3.467 2.168 -1.051 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 C . . . . . . . . . rr_2l2w 1
. 8 . 1532 . 1 1 14 . CA C 2.180 2.397 -0.318 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CA . . . . . . . . . rr_2l2w 1
. 8 . 1533 . 1 1 14 . CB C 1.202 3.406 -0.591 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CB . . . . . . . . . rr_2l2w 1
. 8 . 1534 . 1 1 14 . HB H 1.263 4.149 -1.373 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 HB . . . . . . . . . rr_2l2w 1
. 8 . 1535 . 1 1 14 . N N 1.869 1.592 0.711 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 N . . . . . . . . . rr_2l2w 1
. 8 . 1536 . 1 1 14 . SG S -0.059 3.239 0.515 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 SG . . . . . . . . . rr_2l2w 1
. 8 . 1537 . 1 1 15 . C C 6.643 2.409 0.880 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 C . . . . . . . . . rr_2l2w 1
. 8 . 1538 . 1 1 15 . CA C 5.669 1.984 -0.149 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CA . . . . . . . . . rr_2l2w 1
. 8 . 1539 . 1 1 15 . CB C 6.133 0.994 -1.132 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CB . . . . . . . . . rr_2l2w 1
. 8 . 1540 . 1 1 15 . HB2 H 6.349 0.067 -0.624 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB2 . . . . . . . . . rr_2l2w 1
. 8 . 1541 . 1 1 15 . HB3 H 7.035 1.353 -1.608 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB3 . . . . . . . . . rr_2l2w 1
. 8 . 1542 . 1 1 15 . N N 4.505 2.529 -0.071 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 N . . . . . . . . . rr_2l2w 1
. 8 . 1543 . 1 1 16 . C C 9.895 2.146 2.310 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 C . . . . . . . . . rr_2l2w 1
. 8 . 1544 . 1 1 16 . CA C 8.526 2.493 1.989 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CA . . . . . . . . . rr_2l2w 1
. 8 . 1545 . 1 1 16 . CB C 7.778 3.455 2.741 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CB . . . . . . . . . rr_2l2w 1
. 8 . 1546 . 1 1 16 . HB H 8.140 4.007 3.596 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 HB . . . . . . . . . rr_2l2w 1
. 8 . 1547 . 1 1 16 . N N 7.843 1.940 0.961 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 N . . . . . . . . . rr_2l2w 1
. 8 . 1548 . 1 1 16 . O O 10.538 2.642 3.234 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 O . . . . . . . . . rr_2l2w 1
. 8 . 1549 . 1 1 16 . SG S 6.237 3.582 2.069 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 SG . . . . . . . . . rr_2l2w 1
. 8 . 1550 . 1 1 17 DHA C C 11.938 -0.431 0.562 . . . 1.0 . . . . . . . . . . . . A . 16 DHA C . . . . . . . . . rr_2l2w 1
. 8 . 1551 . 1 1 17 DHA CA C 11.742 0.629 1.539 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CA . . . . . . . . . rr_2l2w 1
. 8 . 1552 . 1 1 17 DHA CB C 12.715 0.990 2.364 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CB . . . . . . . . . rr_2l2w 1
. 8 . 1553 . 1 1 17 DHA H H 9.782 0.880 0.796 . . . 1.0 . . . . . . . . . . . . A . 16 DHA H . . . . . . . . . rr_2l2w 1
. 8 . 1554 . 1 1 17 DHA HB1 H 12.554 1.776 3.083 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB1 . . . . . . . . . rr_2l2w 1
. 8 . 1555 . 1 1 17 DHA HB2 H 13.674 0.495 2.316 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB2 . . . . . . . . . rr_2l2w 1
. 8 . 1556 . 1 1 17 DHA N N 10.388 1.212 1.492 . . . 1.0 . . . . . . . . . . . . A . 16 DHA N . . . . . . . . . rr_2l2w 1
. 8 . 1557 . 1 1 17 DHA O O 10.981 -0.703 -0.162 . . . 1.0 . . . . . . . . . . . . A . 16 DHA O . . . . . . . . . rr_2l2w 1
. 8 . 1558 . 1 1 18 DHA C C 14.876 -2.533 -0.340 . . . 1.0 . . . . . . . . . . . . A . 17 DHA C . . . . . . . . . rr_2l2w 1
. 8 . 1559 . 1 1 18 DHA CA C 13.475 -2.152 -0.425 . . . 1.0 . . . . . . . . . . . . A . 17 DHA CA . . . . . . . . . rr_2l2w 1
. 8 . 1560 . 1 1 18 DHA CB C 12.647 -2.770 -1.255 . . . 1.0 . . . . . . . . . . . . A . 17 DHA CB . . . . . . . . . rr_2l2w 1
. 8 . 1561 . 1 1 18 DHA H H 13.820 -0.728 1.093 . . . 1.0 . . . . . . . . . . . . A . 17 DHA H . . . . . . . . . rr_2l2w 1
. 8 . 1562 . 1 1 18 DHA HB1 H 11.611 -2.477 -1.309 . . . 1.0 . . . . . . . . . . . . A . 17 DHA HB1 . . . . . . . . . rr_2l2w 1
. 8 . 1563 . 1 1 18 DHA HB2 H 13.011 -3.569 -1.884 . . . 1.0 . . . . . . . . . . . . A . 17 DHA HB2 . . . . . . . . . rr_2l2w 1
. 8 . 1564 . 1 1 18 DHA N N 13.121 -1.048 0.487 . . . 1.0 . . . . . . . . . . . . A . 17 DHA N . . . . . . . . . rr_2l2w 1
. 8 . 1565 . 1 1 18 DHA O O 15.585 -1.914 0.453 . . . 1.0 . . . . . . . . . . . . A . 17 DHA O . . . . . . . . . rr_2l2w 1
. 8 . 1566 . 1 1 19 NH2 HN1 H 16.285 -3.765 -1.048 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN1 . . . . . . . . . rr_2l2w 1
. 8 . 1567 . 1 1 19 NH2 HN2 H 14.731 -3.973 -1.723 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN2 . . . . . . . . . rr_2l2w 1
. 8 . 1568 . 1 1 19 NH2 N N 15.340 -3.513 -1.107 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 N . . . . . . . . . rr_2l2w 1
. 9 . 1569 . 1 1 1 QUA C10 C -3.826 -2.550 -2.276 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C10 . . . . . . . . . rr_2l2w 1
. 9 . 1570 . 1 1 1 QUA C11 C -0.540 -1.180 0.031 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C11 . . . . . . . . . rr_2l2w 1
. 9 . 1571 . 1 1 1 QUA C13 C -2.286 -3.016 -4.262 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C13 . . . . . . . . . rr_2l2w 1
. 9 . 1572 . 1 1 1 QUA C14 C -2.184 -4.535 -4.298 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C14 . . . . . . . . . rr_2l2w 1
. 9 . 1573 . 1 1 1 QUA C2 C -1.720 -1.659 -0.758 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C2 . . . . . . . . . rr_2l2w 1
. 9 . 1574 . 1 1 1 QUA C3 C -1.474 -2.088 -2.055 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C3 . . . . . . . . . rr_2l2w 1
. 9 . 1575 . 1 1 1 QUA C4 C -2.539 -2.542 -2.833 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C4 . . . . . . . . . rr_2l2w 1
. 9 . 1576 . 1 1 1 QUA C5 C -5.008 -3.009 -3.023 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C5 . . . . . . . . . rr_2l2w 1
. 9 . 1577 . 1 1 1 QUA C6 C -6.125 -3.299 -2.428 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C6 . . . . . . . . . rr_2l2w 1
. 9 . 1578 . 1 1 1 QUA C7 C -6.290 -3.192 -0.907 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C7 . . . . . . . . . rr_2l2w 1
. 9 . 1579 . 1 1 1 QUA C8 C -5.357 -2.096 -0.317 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C8 . . . . . . . . . rr_2l2w 1
. 9 . 1580 . 1 1 1 QUA C9 C -3.978 -2.106 -0.971 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C9 . . . . . . . . . rr_2l2w 1
. 9 . 1581 . 1 1 1 QUA H13 H -3.107 -2.719 -4.895 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H13 . . . . . . . . . rr_2l2w 1
. 9 . 1582 . 1 1 1 QUA H141 H -3.094 -4.967 -3.909 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H141 . . . . . . . . . rr_2l2w 1
. 9 . 1583 . 1 1 1 QUA H142 H -1.348 -4.853 -3.693 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H142 . . . . . . . . . rr_2l2w 1
. 9 . 1584 . 1 1 1 QUA H143 H -2.036 -4.862 -5.316 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H143 . . . . . . . . . rr_2l2w 1
. 9 . 1585 . 1 1 1 QUA H15 H -0.550 -3.144 -5.190 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H15 . . . . . . . . . rr_2l2w 1
. 9 . 1586 . 1 1 1 QUA H16 H -5.947 -0.569 -1.417 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H16 . . . . . . . . . rr_2l2w 1
. 9 . 1587 . 1 1 1 QUA HC3 H -0.471 -2.069 -2.458 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC3 . . . . . . . . . rr_2l2w 1
. 9 . 1588 . 1 1 1 QUA HC5 H -4.950 -3.103 -4.095 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC5 . . . . . . . . . rr_2l2w 1
. 9 . 1589 . 1 1 1 QUA HC6 H -6.963 -3.630 -3.023 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC6 . . . . . . . . . rr_2l2w 1
. 9 . 1590 . 1 1 1 QUA HC71 H -7.313 -2.941 -0.673 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC71 . . . . . . . . . rr_2l2w 1
. 9 . 1591 . 1 1 1 QUA HC8 H -5.249 -2.282 0.742 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC8 . . . . . . . . . rr_2l2w 1
. 9 . 1592 . 1 1 1 QUA N1 N -2.956 -1.657 -0.190 . . . 1.0 . . . . . . . . . . . . A . 0 QUA N1 . . . . . . . . . rr_2l2w 1
. 9 . 1593 . 1 1 1 QUA O12 O 0.605 -1.157 -0.423 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O12 . . . . . . . . . rr_2l2w 1
. 9 . 1594 . 1 1 1 QUA O15 O -1.078 -2.452 -4.788 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O15 . . . . . . . . . rr_2l2w 1
. 9 . 1595 . 1 1 1 QUA O16 O -5.973 -0.815 -0.489 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O16 . . . . . . . . . rr_2l2w 1
. 9 . 1596 . 1 1 2 ILE C C -5.151 -4.914 1.954 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2l2w 1
. 9 . 1597 . 1 1 2 ILE CA C -6.373 -4.699 1.082 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2l2w 1
. 9 . 1598 . 1 1 2 ILE CB C -7.356 -5.872 1.284 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2l2w 1
. 9 . 1599 . 1 1 2 ILE CD1 C -7.637 -8.383 0.907 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2l2w 1
. 9 . 1600 . 1 1 2 ILE CG1 C -6.828 -7.140 0.600 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2l2w 1
. 9 . 1601 . 1 1 2 ILE CG2 C -8.731 -5.502 0.745 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2l2w 1
. 9 . 1602 . 1 1 2 ILE H H -5.036 -4.734 -0.456 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H . . . . . . . . . rr_2l2w 1
. 9 . 1603 . 1 1 2 ILE HA H -6.857 -3.794 1.400 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2l2w 1
. 9 . 1604 . 1 1 2 ILE HB H -7.450 -6.054 2.344 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2l2w 1
. 9 . 1605 . 1 1 2 ILE HD11 H -7.727 -8.499 1.977 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2l2w 1
. 9 . 1606 . 1 1 2 ILE HD12 H -7.141 -9.247 0.492 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2l2w 1
. 9 . 1607 . 1 1 2 ILE HD13 H -8.621 -8.290 0.471 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2l2w 1
. 9 . 1608 . 1 1 2 ILE HG12 H -6.840 -6.997 -0.469 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2l2w 1
. 9 . 1609 . 1 1 2 ILE HG13 H -5.812 -7.319 0.922 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2l2w 1
. 9 . 1610 . 1 1 2 ILE HG21 H -9.043 -4.560 1.171 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2l2w 1
. 9 . 1611 . 1 1 2 ILE HG22 H -9.442 -6.269 1.013 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2l2w 1
. 9 . 1612 . 1 1 2 ILE HG23 H -8.685 -5.412 -0.330 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2l2w 1
. 9 . 1613 . 1 1 2 ILE N N -5.991 -4.546 -0.354 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2l2w 1
. 9 . 1614 . 1 1 2 ILE O O -5.217 -4.790 3.177 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2l2w 1
. 9 . 1615 . 1 1 3 ALA C C -1.633 -5.656 1.060 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2l2w 1
. 9 . 1616 . 1 1 3 ALA CA C -2.802 -5.533 2.028 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2l2w 1
. 9 . 1617 . 1 1 3 ALA CB C -2.978 -6.811 2.830 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2l2w 1
. 9 . 1618 . 1 1 3 ALA H H -4.033 -5.261 0.335 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2l2w 1
. 9 . 1619 . 1 1 3 ALA HA H -2.606 -4.726 2.718 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2l2w 1
. 9 . 1620 . 1 1 3 ALA HB1 H -3.886 -6.740 3.413 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2l2w 1
. 9 . 1621 . 1 1 3 ALA HB2 H -2.135 -6.944 3.489 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2l2w 1
. 9 . 1622 . 1 1 3 ALA HB3 H -3.050 -7.650 2.156 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2l2w 1
. 9 . 1623 . 1 1 3 ALA N N -4.031 -5.230 1.314 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2l2w 1
. 9 . 1624 . 1 1 3 ALA O O -1.650 -6.494 0.158 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2l2w 1
. 9 . 1625 . 1 1 4 DHA C C 1.531 -3.723 0.937 . . . 1.0 . . . . . . . . . . . . A . 3 DHA C . . . . . . . . . rr_2l2w 1
. 9 . 1626 . 1 1 4 DHA CA C 0.522 -4.591 0.362 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CA . . . . . . . . . rr_2l2w 1
. 9 . 1627 . 1 1 4 DHA CB C 0.660 -5.086 -0.860 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CB . . . . . . . . . rr_2l2w 1
. 9 . 1628 . 1 1 4 DHA H H -0.625 -4.314 2.105 . . . 1.0 . . . . . . . . . . . . A . 3 DHA H . . . . . . . . . rr_2l2w 1
. 9 . 1629 . 1 1 4 DHA HB1 H -0.104 -5.719 -1.281 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB1 . . . . . . . . . rr_2l2w 1
. 9 . 1630 . 1 1 4 DHA HB2 H 1.538 -4.846 -1.442 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB2 . . . . . . . . . rr_2l2w 1
. 9 . 1631 . 1 1 4 DHA N N -0.617 -4.817 1.264 . . . 1.0 . . . . . . . . . . . . A . 3 DHA N . . . . . . . . . rr_2l2w 1
. 9 . 1632 . 1 1 4 DHA O O 1.332 -3.302 2.074 . . . 1.0 . . . . . . . . . . . . A . 3 DHA O . . . . . . . . . rr_2l2w 1
. 9 . 1633 . 1 1 5 ALA C C 3.939 -1.501 -0.498 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_2l2w 1
. 9 . 1634 . 1 1 5 ALA CA C 3.549 -2.397 0.669 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_2l2w 1
. 9 . 1635 . 1 1 5 ALA CB C 4.772 -3.059 1.280 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_2l2w 1
. 9 . 1636 . 1 1 5 ALA H H 2.760 -3.863 -0.627 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_2l2w 1
. 9 . 1637 . 1 1 5 ALA HA H 3.070 -1.795 1.430 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_2l2w 1
. 9 . 1638 . 1 1 5 ALA HB1 H 5.286 -3.631 0.523 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . rr_2l2w 1
. 9 . 1639 . 1 1 5 ALA HB2 H 4.459 -3.717 2.079 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_2l2w 1
. 9 . 1640 . 1 1 5 ALA HB3 H 5.434 -2.302 1.674 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_2l2w 1
. 9 . 1641 . 1 1 5 ALA N N 2.601 -3.406 0.224 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_2l2w 1
. 9 . 1642 . 1 1 5 ALA O O 4.552 -1.968 -1.457 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_2l2w 1
. 9 . 1643 . 1 1 6 SER C C 2.651 0.358 -2.593 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2l2w 1
. 9 . 1644 . 1 1 6 SER CA C 3.672 0.702 -1.612 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2l2w 1
. 9 . 1645 . 1 1 6 SER CB C 5.109 0.706 -2.211 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2l2w 1
. 9 . 1646 . 1 1 6 SER H H 3.203 0.117 0.440 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2l2w 1
. 9 . 1647 . 1 1 6 SER HB2 H 5.324 -0.249 -2.663 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2l2w 1
. 9 . 1648 . 1 1 6 SER HB3 H 5.186 1.482 -2.959 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2l2w 1
. 9 . 1649 . 1 1 6 SER N N 3.568 -0.218 -0.413 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2l2w 1
. 9 . 1650 . 1 1 7 . C C -0.641 0.669 -3.940 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 C . . . . . . . . . rr_2l2w 1
. 9 . 1651 . 1 1 7 . CA C 0.736 0.304 -3.670 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CA . . . . . . . . . rr_2l2w 1
. 9 . 1652 . 1 1 7 . CB C 1.452 -0.646 -4.457 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CB . . . . . . . . . rr_2l2w 1
. 9 . 1653 . 1 1 7 . HB H 1.065 -1.178 -5.312 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 HB . . . . . . . . . rr_2l2w 1
. 9 . 1654 . 1 1 7 . N N 1.446 0.827 -2.651 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 N . . . . . . . . . rr_2l2w 1
. 9 . 1655 . 1 1 7 . O O -1.314 0.225 -4.870 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 O . . . . . . . . . rr_2l2w 1
. 9 . 1656 . 1 1 7 . SG S 3.005 -0.797 -3.823 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 SG . . . . . . . . . rr_2l2w 1
. 9 . 1657 . 1 1 8 THR C C -2.528 3.551 -2.911 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2l2w 1
. 9 . 1658 . 1 1 8 THR CA C -2.488 2.040 -3.119 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2l2w 1
. 9 . 1659 . 1 1 8 THR CB C -3.384 1.360 -2.064 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2l2w 1
. 9 . 1660 . 1 1 8 THR CG2 C -2.835 1.566 -0.659 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2l2w 1
. 9 . 1661 . 1 1 8 THR H H -0.530 1.859 -2.337 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2l2w 1
. 9 . 1662 . 1 1 8 THR HA H -2.882 1.811 -4.098 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2l2w 1
. 9 . 1663 . 1 1 8 THR HB H -3.412 0.301 -2.270 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2l2w 1
. 9 . 1664 . 1 1 8 THR HG1 H -4.785 2.664 -1.587 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2l2w 1
. 9 . 1665 . 1 1 8 THR HG21 H -1.782 1.327 -0.645 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2l2w 1
. 9 . 1666 . 1 1 8 THR HG22 H -3.359 0.921 0.030 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2l2w 1
. 9 . 1667 . 1 1 8 THR HG23 H -2.975 2.596 -0.363 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2l2w 1
. 9 . 1668 . 1 1 8 THR N N -1.117 1.542 -3.054 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2l2w 1
. 9 . 1669 . 1 1 8 THR O O -1.526 4.164 -2.545 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2l2w 1
. 9 . 1670 . 1 1 8 THR OG1 O -4.716 1.883 -2.140 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2l2w 1
. 9 . 1671 . 1 1 9 DBU C C -4.875 5.949 -1.894 . . . 1.0 . . . . . . . . . . . . A . 8 DBU C . . . . . . . . . rr_2l2w 1
. 9 . 1672 . 1 1 9 DBU CA C -3.953 5.583 -2.997 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CA . . . . . . . . . rr_2l2w 1
. 9 . 1673 . 1 1 9 DBU CB C -3.424 6.527 -3.773 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CB . . . . . . . . . rr_2l2w 1
. 9 . 1674 . 1 1 9 DBU CG C -2.464 6.219 -4.933 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CG . . . . . . . . . rr_2l2w 1
. 9 . 1675 . 1 1 9 DBU HG1 H -2.230 7.133 -5.458 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG1 . . . . . . . . . rr_2l2w 1
. 9 . 1676 . 1 1 9 DBU HG2 H -2.932 5.523 -5.614 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG2 . . . . . . . . . rr_2l2w 1
. 9 . 1677 . 1 1 9 DBU HG3 H -1.555 5.784 -4.543 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG3 . . . . . . . . . rr_2l2w 1
. 9 . 1678 . 1 1 9 DBU N N -3.693 4.148 -3.145 . . . 1.0 . . . . . . . . . . . . A . 8 DBU N . . . . . . . . . rr_2l2w 1
. 9 . 1679 . 1 1 10 . C C -6.312 4.998 1.234 . . . 1.0 . . . . . . . . . . . . A . 9 DCY C . . . . . . . . . rr_2l2w 1
. 9 . 1680 . 1 1 10 . CA C -6.308 5.697 -0.111 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CA . . . . . . . . . rr_2l2w 1
. 9 . 1681 . 1 1 10 . CB C -5.859 7.147 0.048 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CB . . . . . . . . . rr_2l2w 1
. 9 . 1682 . 1 1 10 . HA H -7.315 5.701 -0.495 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HA . . . . . . . . . rr_2l2w 1
. 9 . 1683 . 1 1 10 . HB2 H -6.695 7.766 0.355 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB2 . . . . . . . . . rr_2l2w 1
. 9 . 1684 . 1 1 10 . HB3 H -5.047 7.220 0.750 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB3 . . . . . . . . . rr_2l2w 1
. 9 . 1685 . 1 1 10 . N N -5.433 5.063 -1.111 . . . 1.0 . . . . . . . . . . . . A . 9 DCY N . . . . . . . . . rr_2l2w 1
. 9 . 1686 . 1 1 10 . O O -6.516 5.675 2.243 . . . 1.0 . . . . . . . . . . . . A . 9 DCY O . . . . . . . . . rr_2l2w 1
. 9 . 1687 . 1 1 10 . SG S -5.275 7.606 -1.587 . . . 1.0 . . . . . . . . . . . . A . 9 DCY SG . . . . . . . . . rr_2l2w 1
. 9 . 1688 . 1 1 11 . C C -4.933 3.023 3.329 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 C . . . . . . . . . rr_2l2w 1
. 9 . 1689 . 1 1 11 . CA C -6.227 2.932 2.515 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CA . . . . . . . . . rr_2l2w 1
. 9 . 1690 . 1 1 11 . CB C -6.627 1.442 2.235 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CB . . . . . . . . . rr_2l2w 1
. 9 . 1691 . 1 1 11 . CD1 C -8.555 0.113 1.065 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CD1 . . . . . . . . . rr_2l2w 1
. 9 . 1692 . 1 1 11 . CG1 C -7.902 1.466 1.320 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG1 . . . . . . . . . rr_2l2w 1
. 9 . 1693 . 1 1 11 . CG2 C -6.906 0.715 3.514 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG2 . . . . . . . . . rr_2l2w 1
. 9 . 1694 . 1 1 11 . H H -5.849 3.214 0.448 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 H . . . . . . . . . rr_2l2w 1
. 9 . 1695 . 1 1 11 . HA H -7.021 3.395 3.083 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HA . . . . . . . . . rr_2l2w 1
. 9 . 1696 . 1 1 11 . HD11 H -9.201 0.182 0.202 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD11 . . . . . . . . . rr_2l2w 1
. 9 . 1697 . 1 1 11 . HD12 H -9.139 -0.172 1.928 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD12 . . . . . . . . . rr_2l2w 1
. 9 . 1698 . 1 1 11 . HD13 H -7.793 -0.629 0.887 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD13 . . . . . . . . . rr_2l2w 1
. 9 . 1699 . 1 1 11 . HD2 H -8.660 3.237 1.752 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD2 . . . . . . . . . rr_2l2w 1
. 9 . 1700 . 1 1 11 . HG1 H -7.648 1.899 0.365 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG1 . . . . . . . . . rr_2l2w 1
. 9 . 1701 . 1 1 11 . HG21 H -7.129 -0.319 3.300 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG21 . . . . . . . . . rr_2l2w 1
. 9 . 1702 . 1 1 11 . HG22 H -7.750 1.171 4.010 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG22 . . . . . . . . . rr_2l2w 1
. 9 . 1703 . 1 1 11 . HG23 H -6.041 0.766 4.158 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG23 . . . . . . . . . rr_2l2w 1
. 9 . 1704 . 1 1 11 . HG3 H -5.056 0.277 2.159 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG3 . . . . . . . . . rr_2l2w 1
. 9 . 1705 . 1 1 11 . N N -6.098 3.684 1.271 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 N . . . . . . . . . rr_2l2w 1
. 9 . 1706 . 1 1 11 . OD2 O -8.847 2.322 1.976 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OD2 . . . . . . . . . rr_2l2w 1
. 9 . 1707 . 1 1 11 . OG3 O -5.571 0.802 1.542 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OG3 . . . . . . . . . rr_2l2w 1
. 9 . 1708 . 1 1 12 . C C -1.458 2.330 3.819 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 C . . . . . . . . . rr_2l2w 1
. 9 . 1709 . 1 1 12 . CA C -2.837 2.768 3.923 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CA . . . . . . . . . rr_2l2w 1
. 9 . 1710 . 1 1 12 . CB C -3.302 3.515 5.049 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CB . . . . . . . . . rr_2l2w 1
. 9 . 1711 . 1 1 12 . HB H -2.703 3.814 5.897 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 HB . . . . . . . . . rr_2l2w 1
. 9 . 1712 . 1 1 12 . N N -3.787 2.518 2.989 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 N . . . . . . . . . rr_2l2w 1
. 9 . 1713 . 1 1 12 . O O -0.596 2.567 4.667 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 O . . . . . . . . . rr_2l2w 1
. 9 . 1714 . 1 1 12 . SG S -4.936 3.851 4.835 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 SG . . . . . . . . . rr_2l2w 1
. 9 . 1715 . 1 1 13 THR C C 0.760 1.887 1.250 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_2l2w 1
. 9 . 1716 . 1 1 13 THR CA C 0.153 1.152 2.431 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_2l2w 1
. 9 . 1717 . 1 1 13 THR CB C 0.192 -0.369 2.184 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_2l2w 1
. 9 . 1718 . 1 1 13 THR CG2 C -0.010 -1.135 3.473 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_2l2w 1
. 9 . 1719 . 1 1 13 THR H H -1.921 1.442 2.082 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_2l2w 1
. 9 . 1720 . 1 1 13 THR HA H 0.755 1.349 3.305 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_2l2w 1
. 9 . 1721 . 1 1 13 THR HB H 1.157 -0.636 1.774 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_2l2w 1
. 9 . 1722 . 1 1 13 THR HG21 H -0.730 -0.621 4.090 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_2l2w 1
. 9 . 1723 . 1 1 13 THR HG22 H 0.936 -1.198 3.993 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_2l2w 1
. 9 . 1724 . 1 1 13 THR HG23 H -0.365 -2.128 3.248 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_2l2w 1
. 9 . 1725 . 1 1 13 THR N N -1.198 1.634 2.713 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_2l2w 1
. 9 . 1726 . 1 1 13 THR OG1 O -0.890 -0.780 1.255 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_2l2w 1
. 9 . 1727 . 1 1 14 . C C 3.475 2.161 -1.057 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 C . . . . . . . . . rr_2l2w 1
. 9 . 1728 . 1 1 14 . CA C 2.192 2.387 -0.317 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CA . . . . . . . . . rr_2l2w 1
. 9 . 1729 . 1 1 14 . CB C 1.213 3.398 -0.581 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CB . . . . . . . . . rr_2l2w 1
. 9 . 1730 . 1 1 14 . HB H 1.270 4.144 -1.361 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 HB . . . . . . . . . rr_2l2w 1
. 9 . 1731 . 1 1 14 . N N 1.887 1.578 0.710 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 N . . . . . . . . . rr_2l2w 1
. 9 . 1732 . 1 1 14 . SG S -0.043 3.227 0.531 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 SG . . . . . . . . . rr_2l2w 1
. 9 . 1733 . 1 1 15 . C C 6.645 2.431 0.872 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 C . . . . . . . . . rr_2l2w 1
. 9 . 1734 . 1 1 15 . CA C 5.675 1.983 -0.149 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CA . . . . . . . . . rr_2l2w 1
. 9 . 1735 . 1 1 15 . CB C 6.139 0.975 -1.117 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CB . . . . . . . . . rr_2l2w 1
. 9 . 1736 . 1 1 15 . HB2 H 6.336 0.051 -0.596 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB2 . . . . . . . . . rr_2l2w 1
. 9 . 1737 . 1 1 15 . HB3 H 7.052 1.318 -1.585 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB3 . . . . . . . . . rr_2l2w 1
. 9 . 1738 . 1 1 15 . N N 4.514 2.532 -0.085 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 N . . . . . . . . . rr_2l2w 1
. 9 . 1739 . 1 1 16 . C C 9.889 2.220 2.335 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 C . . . . . . . . . rr_2l2w 1
. 9 . 1740 . 1 1 16 . CA C 8.520 2.551 1.992 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CA . . . . . . . . . rr_2l2w 1
. 9 . 1741 . 1 1 16 . CB C 7.765 3.530 2.714 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CB . . . . . . . . . rr_2l2w 1
. 9 . 1742 . 1 1 16 . HB H 8.119 4.104 3.555 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 HB . . . . . . . . . rr_2l2w 1
. 9 . 1743 . 1 1 16 . N N 7.847 1.968 0.974 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 N . . . . . . . . . rr_2l2w 1
. 9 . 1744 . 1 1 16 . O O 10.520 2.746 3.250 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 O . . . . . . . . . rr_2l2w 1
. 9 . 1745 . 1 1 16 . SG S 6.230 3.634 2.027 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 SG . . . . . . . . . rr_2l2w 1
. 9 . 1746 . 1 1 17 DHA C C 11.966 -0.396 0.693 . . . 1.0 . . . . . . . . . . . . A . 16 DHA C . . . . . . . . . rr_2l2w 1
. 9 . 1747 . 1 1 17 DHA CA C 11.756 0.702 1.623 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CA . . . . . . . . . rr_2l2w 1
. 9 . 1748 . 1 1 17 DHA CB C 12.725 1.113 2.429 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CB . . . . . . . . . rr_2l2w 1
. 9 . 1749 . 1 1 17 DHA H H 9.795 0.900 0.866 . . . 1.0 . . . . . . . . . . . . A . 16 DHA H . . . . . . . . . rr_2l2w 1
. 9 . 1750 . 1 1 17 DHA HB1 H 12.554 1.928 3.113 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB1 . . . . . . . . . rr_2l2w 1
. 9 . 1751 . 1 1 17 DHA HB2 H 13.690 0.630 2.402 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB2 . . . . . . . . . rr_2l2w 1
. 9 . 1752 . 1 1 17 DHA N N 10.393 1.264 1.551 . . . 1.0 . . . . . . . . . . . . A . 16 DHA N . . . . . . . . . rr_2l2w 1
. 9 . 1753 . 1 1 17 DHA O O 11.015 -0.714 -0.020 . . . 1.0 . . . . . . . . . . . . A . 16 DHA O . . . . . . . . . rr_2l2w 1
. 9 . 1754 . 1 1 18 DHA C C 14.910 -2.560 -0.015 . . . 1.0 . . . . . . . . . . . . A . 17 DHA C . . . . . . . . . rr_2l2w 1
. 9 . 1755 . 1 1 18 DHA CA C 13.542 -2.119 -0.228 . . . 1.0 . . . . . . . . . . . . A . 17 DHA CA . . . . . . . . . rr_2l2w 1
. 9 . 1756 . 1 1 18 DHA CB C 12.767 -2.702 -1.133 . . . 1.0 . . . . . . . . . . . . A . 17 DHA CB . . . . . . . . . rr_2l2w 1
. 9 . 1757 . 1 1 18 DHA H H 13.837 -0.667 1.272 . . . 1.0 . . . . . . . . . . . . A . 17 DHA H . . . . . . . . . rr_2l2w 1
. 9 . 1758 . 1 1 18 DHA HB1 H 11.754 -2.364 -1.278 . . . 1.0 . . . . . . . . . . . . A . 17 DHA HB1 . . . . . . . . . rr_2l2w 1
. 9 . 1759 . 1 1 18 DHA HB2 H 13.153 -3.516 -1.726 . . . 1.0 . . . . . . . . . . . . A . 17 DHA HB2 . . . . . . . . . rr_2l2w 1
. 9 . 1760 . 1 1 18 DHA N N 13.156 -1.002 0.653 . . . 1.0 . . . . . . . . . . . . A . 17 DHA N . . . . . . . . . rr_2l2w 1
. 9 . 1761 . 1 1 18 DHA O O 15.568 -1.973 0.845 . . . 1.0 . . . . . . . . . . . . A . 17 DHA O . . . . . . . . . rr_2l2w 1
. 9 . 1762 . 1 1 19 NH2 HN1 H 16.323 -3.854 -0.589 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN1 . . . . . . . . . rr_2l2w 1
. 9 . 1763 . 1 1 19 NH2 HN2 H 14.833 -3.993 -1.409 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN2 . . . . . . . . . rr_2l2w 1
. 9 . 1764 . 1 1 19 NH2 N N 15.401 -3.562 -0.738 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 N . . . . . . . . . rr_2l2w 1
. 10 . 1765 . 1 1 1 QUA C10 C -3.859 -2.529 -2.249 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C10 . . . . . . . . . rr_2l2w 1
. 10 . 1766 . 1 1 1 QUA C11 C -0.555 -1.173 0.042 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C11 . . . . . . . . . rr_2l2w 1
. 10 . 1767 . 1 1 1 QUA C13 C -2.353 -2.899 -4.281 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C13 . . . . . . . . . rr_2l2w 1
. 10 . 1768 . 1 1 1 QUA C14 C -2.276 -4.416 -4.376 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C14 . . . . . . . . . rr_2l2w 1
. 10 . 1769 . 1 1 1 QUA C2 C -1.740 -1.649 -0.742 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C2 . . . . . . . . . rr_2l2w 1
. 10 . 1770 . 1 1 1 QUA C3 C -1.511 -2.029 -2.058 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C3 . . . . . . . . . rr_2l2w 1
. 10 . 1771 . 1 1 1 QUA C4 C -2.583 -2.476 -2.829 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C4 . . . . . . . . . rr_2l2w 1
. 10 . 1772 . 1 1 1 QUA C5 C -5.045 -2.982 -2.990 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C5 . . . . . . . . . rr_2l2w 1
. 10 . 1773 . 1 1 1 QUA C6 C -6.147 -3.307 -2.390 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C6 . . . . . . . . . rr_2l2w 1
. 10 . 1774 . 1 1 1 QUA C7 C -6.295 -3.247 -0.865 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C7 . . . . . . . . . rr_2l2w 1
. 10 . 1775 . 1 1 1 QUA C8 C -5.356 -2.173 -0.244 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C8 . . . . . . . . . rr_2l2w 1
. 10 . 1776 . 1 1 1 QUA C9 C -3.993 -2.133 -0.928 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C9 . . . . . . . . . rr_2l2w 1
. 10 . 1777 . 1 1 1 QUA H13 H -3.176 -2.562 -4.891 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H13 . . . . . . . . . rr_2l2w 1
. 10 . 1778 . 1 1 1 QUA H141 H -3.177 -4.851 -3.973 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H141 . . . . . . . . . rr_2l2w 1
. 10 . 1779 . 1 1 1 QUA H142 H -1.423 -4.770 -3.815 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H142 . . . . . . . . . rr_2l2w 1
. 10 . 1780 . 1 1 1 QUA H143 H -2.169 -4.706 -5.412 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H143 . . . . . . . . . rr_2l2w 1
. 10 . 1781 . 1 1 1 QUA H15 H -1.191 -2.288 -5.754 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H15 . . . . . . . . . rr_2l2w 1
. 10 . 1782 . 1 1 1 QUA H16 H -6.752 -0.951 -0.911 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H16 . . . . . . . . . rr_2l2w 1
. 10 . 1783 . 1 1 1 QUA HC3 H -0.518 -1.977 -2.478 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC3 . . . . . . . . . rr_2l2w 1
. 10 . 1784 . 1 1 1 QUA HC5 H -5.000 -3.043 -4.067 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC5 . . . . . . . . . rr_2l2w 1
. 10 . 1785 . 1 1 1 QUA HC6 H -6.989 -3.630 -2.984 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC6 . . . . . . . . . rr_2l2w 1
. 10 . 1786 . 1 1 1 QUA HC71 H -7.315 -3.003 -0.612 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC71 . . . . . . . . . rr_2l2w 1
. 10 . 1787 . 1 1 1 QUA HC8 H -5.221 -2.413 0.802 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC8 . . . . . . . . . rr_2l2w 1
. 10 . 1788 . 1 1 1 QUA N1 N -2.963 -1.691 -0.151 . . . 1.0 . . . . . . . . . . . . A . 0 QUA N1 . . . . . . . . . rr_2l2w 1
. 10 . 1789 . 1 1 1 QUA O12 O 0.587 -1.154 -0.417 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O12 . . . . . . . . . rr_2l2w 1
. 10 . 1790 . 1 1 1 QUA O15 O -1.142 -2.333 -4.796 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O15 . . . . . . . . . rr_2l2w 1
. 10 . 1791 . 1 1 1 QUA O16 O -5.987 -0.892 -0.334 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O16 . . . . . . . . . rr_2l2w 1
. 10 . 1792 . 1 1 2 ILE C C -5.130 -5.116 1.912 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2l2w 1
. 10 . 1793 . 1 1 2 ILE CA C -6.358 -4.815 1.074 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2l2w 1
. 10 . 1794 . 1 1 2 ILE CB C -7.390 -5.952 1.248 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2l2w 1
. 10 . 1795 . 1 1 2 ILE CD1 C -7.784 -8.436 0.807 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2l2w 1
. 10 . 1796 . 1 1 2 ILE CG1 C -6.917 -7.225 0.535 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2l2w 1
. 10 . 1797 . 1 1 2 ILE CG2 C -8.748 -5.511 0.721 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2l2w 1
. 10 . 1798 . 1 1 2 ILE H H -5.044 -4.811 -0.484 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H . . . . . . . . . rr_2l2w 1
. 10 . 1799 . 1 1 2 ILE HA H -6.796 -3.904 1.436 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2l2w 1
. 10 . 1800 . 1 1 2 ILE HB H -7.490 -6.155 2.304 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2l2w 1
. 10 . 1801 . 1 1 2 ILE HD11 H -7.885 -8.574 1.873 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2l2w 1
. 10 . 1802 . 1 1 2 ILE HD12 H -7.327 -9.312 0.372 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2l2w 1
. 10 . 1803 . 1 1 2 ILE HD13 H -8.760 -8.286 0.369 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2l2w 1
. 10 . 1804 . 1 1 2 ILE HG12 H -6.916 -7.054 -0.531 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2l2w 1
. 10 . 1805 . 1 1 2 ILE HG13 H -5.912 -7.459 0.856 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2l2w 1
. 10 . 1806 . 1 1 2 ILE HG21 H -9.035 -4.583 1.195 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2l2w 1
. 10 . 1807 . 1 1 2 ILE HG22 H -9.485 -6.269 0.942 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2l2w 1
. 10 . 1808 . 1 1 2 ILE HG23 H -8.691 -5.366 -0.348 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2l2w 1
. 10 . 1809 . 1 1 2 ILE N N -5.997 -4.622 -0.361 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2l2w 1
. 10 . 1810 . 1 1 2 ILE O O -5.193 -5.129 3.142 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2l2w 1
. 10 . 1811 . 1 1 3 ALA C C -1.616 -5.778 0.923 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2l2w 1
. 10 . 1812 . 1 1 3 ALA CA C -2.780 -5.740 1.907 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2l2w 1
. 10 . 1813 . 1 1 3 ALA CB C -2.969 -7.092 2.572 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2l2w 1
. 10 . 1814 . 1 1 3 ALA H H -4.011 -5.255 0.262 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2l2w 1
. 10 . 1815 . 1 1 3 ALA HA H -2.569 -5.011 2.676 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2l2w 1
. 10 . 1816 . 1 1 3 ALA HB1 H -3.860 -7.064 3.183 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2l2w 1
. 10 . 1817 . 1 1 3 ALA HB2 H -2.113 -7.314 3.189 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2l2w 1
. 10 . 1818 . 1 1 3 ALA HB3 H -3.079 -7.851 1.814 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2l2w 1
. 10 . 1819 . 1 1 3 ALA N N -4.010 -5.349 1.237 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2l2w 1
. 10 . 1820 . 1 1 3 ALA O O -1.630 -6.554 -0.033 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2l2w 1
. 10 . 1821 . 1 1 4 DHA C C 1.509 -3.769 0.909 . . . 1.0 . . . . . . . . . . . . A . 3 DHA C . . . . . . . . . rr_2l2w 1
. 10 . 1822 . 1 1 4 DHA CA C 0.549 -4.676 0.307 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CA . . . . . . . . . rr_2l2w 1
. 10 . 1823 . 1 1 4 DHA CB C 0.741 -5.167 -0.909 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CB . . . . . . . . . rr_2l2w 1
. 10 . 1824 . 1 1 4 DHA H H -0.642 -4.462 2.032 . . . 1.0 . . . . . . . . . . . . A . 3 DHA H . . . . . . . . . rr_2l2w 1
. 10 . 1825 . 1 1 4 DHA HB1 H 0.013 -5.826 -1.352 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB1 . . . . . . . . . rr_2l2w 1
. 10 . 1826 . 1 1 4 DHA HB2 H 1.626 -4.895 -1.466 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB2 . . . . . . . . . rr_2l2w 1
. 10 . 1827 . 1 1 4 DHA N N -0.609 -4.941 1.177 . . . 1.0 . . . . . . . . . . . . A . 3 DHA N . . . . . . . . . rr_2l2w 1
. 10 . 1828 . 1 1 4 DHA O O 1.258 -3.347 2.036 . . . 1.0 . . . . . . . . . . . . A . 3 DHA O . . . . . . . . . rr_2l2w 1
. 10 . 1829 . 1 1 5 ALA C C 3.915 -1.502 -0.465 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_2l2w 1
. 10 . 1830 . 1 1 5 ALA CA C 3.503 -2.390 0.701 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_2l2w 1
. 10 . 1831 . 1 1 5 ALA CB C 4.721 -3.010 1.366 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_2l2w 1
. 10 . 1832 . 1 1 5 ALA H H 2.802 -3.894 -0.606 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_2l2w 1
. 10 . 1833 . 1 1 5 ALA HA H 2.981 -1.791 1.434 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_2l2w 1
. 10 . 1834 . 1 1 5 ALA HB1 H 5.271 -3.591 0.641 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . rr_2l2w 1
. 10 . 1835 . 1 1 5 ALA HB2 H 4.399 -3.652 2.173 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_2l2w 1
. 10 . 1836 . 1 1 5 ALA HB3 H 5.354 -2.228 1.758 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_2l2w 1
. 10 . 1837 . 1 1 5 ALA N N 2.598 -3.430 0.233 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_2l2w 1
. 10 . 1838 . 1 1 5 ALA O O 4.528 -1.979 -1.419 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_2l2w 1
. 10 . 1839 . 1 1 6 SER C C 2.672 0.361 -2.573 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2l2w 1
. 10 . 1840 . 1 1 6 SER CA C 3.687 0.700 -1.586 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2l2w 1
. 10 . 1841 . 1 1 6 SER CB C 5.127 0.687 -2.176 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2l2w 1
. 10 . 1842 . 1 1 6 SER H H 3.206 0.131 0.468 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2l2w 1
. 10 . 1843 . 1 1 6 SER HB2 H 5.336 -0.273 -2.619 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2l2w 1
. 10 . 1844 . 1 1 6 SER HB3 H 5.217 1.456 -2.929 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2l2w 1
. 10 . 1845 . 1 1 6 SER N N 3.565 -0.213 -0.384 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2l2w 1
. 10 . 1846 . 1 1 7 . C C -0.604 0.699 -3.952 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 C . . . . . . . . . rr_2l2w 1
. 10 . 1847 . 1 1 7 . CA C 0.765 0.320 -3.666 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CA . . . . . . . . . rr_2l2w 1
. 10 . 1848 . 1 1 7 . CB C 1.480 -0.642 -4.442 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CB . . . . . . . . . rr_2l2w 1
. 10 . 1849 . 1 1 7 . HB H 1.094 -1.176 -5.298 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 HB . . . . . . . . . rr_2l2w 1
. 10 . 1850 . 1 1 7 . N N 1.472 0.842 -2.644 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 N . . . . . . . . . rr_2l2w 1
. 10 . 1851 . 1 1 7 . O O -1.264 0.274 -4.901 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 O . . . . . . . . . rr_2l2w 1
. 10 . 1852 . 1 1 7 . SG S 3.025 -0.805 -3.793 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 SG . . . . . . . . . rr_2l2w 1
. 10 . 1853 . 1 1 8 THR C C -2.515 3.555 -2.898 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2l2w 1
. 10 . 1854 . 1 1 8 THR CA C -2.464 2.048 -3.130 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2l2w 1
. 10 . 1855 . 1 1 8 THR CB C -3.377 1.346 -2.103 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2l2w 1
. 10 . 1856 . 1 1 8 THR CG2 C -2.880 1.566 -0.679 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2l2w 1
. 10 . 1857 . 1 1 8 THR H H -0.518 1.855 -2.322 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2l2w 1
. 10 . 1858 . 1 1 8 THR HA H -2.842 1.834 -4.119 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2l2w 1
. 10 . 1859 . 1 1 8 THR HB H -3.372 0.285 -2.309 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2l2w 1
. 10 . 1860 . 1 1 8 THR HG1 H -5.262 1.453 -1.531 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2l2w 1
. 10 . 1861 . 1 1 8 THR HG21 H -3.056 2.591 -0.389 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2l2w 1
. 10 . 1862 . 1 1 8 THR HG22 H -1.822 1.354 -0.631 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2l2w 1
. 10 . 1863 . 1 1 8 THR HG23 H -3.409 0.907 -0.008 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2l2w 1
. 10 . 1864 . 1 1 8 THR N N -1.094 1.552 -3.054 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2l2w 1
. 10 . 1865 . 1 1 8 THR O O -1.530 4.162 -2.476 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2l2w 1
. 10 . 1866 . 1 1 8 THR OG1 O -4.717 1.835 -2.223 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2l2w 1
. 10 . 1867 . 1 1 9 DBU C C -4.895 5.929 -1.935 . . . 1.0 . . . . . . . . . . . . A . 8 DBU C . . . . . . . . . rr_2l2w 1
. 10 . 1868 . 1 1 9 DBU CA C -3.943 5.585 -3.019 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CA . . . . . . . . . rr_2l2w 1
. 10 . 1869 . 1 1 9 DBU CB C -3.404 6.541 -3.771 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CB . . . . . . . . . rr_2l2w 1
. 10 . 1870 . 1 1 9 DBU CG C -2.413 6.255 -4.911 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CG . . . . . . . . . rr_2l2w 1
. 10 . 1871 . 1 1 9 DBU HG1 H -2.114 7.186 -5.370 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG1 . . . . . . . . . rr_2l2w 1
. 10 . 1872 . 1 1 9 DBU HG2 H -2.886 5.626 -5.650 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG2 . . . . . . . . . rr_2l2w 1
. 10 . 1873 . 1 1 9 DBU HG3 H -1.542 5.752 -4.514 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG3 . . . . . . . . . rr_2l2w 1
. 10 . 1874 . 1 1 9 DBU N N -3.669 4.152 -3.176 . . . 1.0 . . . . . . . . . . . . A . 8 DBU N . . . . . . . . . rr_2l2w 1
. 10 . 1875 . 1 1 10 . C C -6.283 4.989 1.214 . . . 1.0 . . . . . . . . . . . . A . 9 DCY C . . . . . . . . . rr_2l2w 1
. 10 . 1876 . 1 1 10 . CA C -6.326 5.640 -0.155 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CA . . . . . . . . . rr_2l2w 1
. 10 . 1877 . 1 1 10 . CB C -5.988 7.125 -0.047 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CB . . . . . . . . . rr_2l2w 1
. 10 . 1878 . 1 1 10 . HA H -7.330 5.554 -0.539 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HA . . . . . . . . . rr_2l2w 1
. 10 . 1879 . 1 1 10 . HB2 H -6.874 7.694 0.218 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB2 . . . . . . . . . rr_2l2w 1
. 10 . 1880 . 1 1 10 . HB3 H -5.200 7.288 0.668 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB3 . . . . . . . . . rr_2l2w 1
. 10 . 1881 . 1 1 10 . N N -5.405 5.036 -1.129 . . . 1.0 . . . . . . . . . . . . A . 9 DCY N . . . . . . . . . rr_2l2w 1
. 10 . 1882 . 1 1 10 . O O -6.398 5.709 2.207 . . . 1.0 . . . . . . . . . . . . A . 9 DCY O . . . . . . . . . rr_2l2w 1
. 10 . 1883 . 1 1 10 . SG S -5.402 7.567 -1.686 . . . 1.0 . . . . . . . . . . . . A . 9 DCY SG . . . . . . . . . rr_2l2w 1
. 10 . 1884 . 1 1 11 . C C -4.928 3.070 3.349 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 C . . . . . . . . . rr_2l2w 1
. 10 . 1885 . 1 1 11 . CA C -6.236 2.961 2.561 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CA . . . . . . . . . rr_2l2w 1
. 10 . 1886 . 1 1 11 . CB C -6.653 1.466 2.340 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CB . . . . . . . . . rr_2l2w 1
. 10 . 1887 . 1 1 11 . CD1 C -8.606 0.111 1.239 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CD1 . . . . . . . . . rr_2l2w 1
. 10 . 1888 . 1 1 11 . CG1 C -7.958 1.471 1.465 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG1 . . . . . . . . . rr_2l2w 1
. 10 . 1889 . 1 1 11 . CG2 C -6.897 0.782 3.650 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG2 . . . . . . . . . rr_2l2w 1
. 10 . 1890 . 1 1 11 . H H -5.929 3.162 0.472 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 H . . . . . . . . . rr_2l2w 1
. 10 . 1891 . 1 1 11 . HA H -7.017 3.452 3.124 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HA . . . . . . . . . rr_2l2w 1
. 10 . 1892 . 1 1 11 . HD11 H -9.091 -0.212 2.149 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD11 . . . . . . . . . rr_2l2w 1
. 10 . 1893 . 1 1 11 . HD12 H -7.851 -0.608 0.961 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD12 . . . . . . . . . rr_2l2w 1
. 10 . 1894 . 1 1 11 . HD13 H -9.338 0.187 0.449 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD13 . . . . . . . . . rr_2l2w 1
. 10 . 1895 . 1 1 11 . HD2 H -9.702 2.380 1.633 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD2 . . . . . . . . . rr_2l2w 1
. 10 . 1896 . 1 1 11 . HG1 H -7.737 1.900 0.498 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG1 . . . . . . . . . rr_2l2w 1
. 10 . 1897 . 1 1 11 . HG21 H -7.702 1.278 4.171 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG21 . . . . . . . . . rr_2l2w 1
. 10 . 1898 . 1 1 11 . HG22 H -6.001 0.821 4.252 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG22 . . . . . . . . . rr_2l2w 1
. 10 . 1899 . 1 1 11 . HG23 H -7.165 -0.249 3.476 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG23 . . . . . . . . . rr_2l2w 1
. 10 . 1900 . 1 1 11 . HG3 H -5.400 -0.018 2.093 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG3 . . . . . . . . . rr_2l2w 1
. 10 . 1901 . 1 1 11 . N N -6.125 3.668 1.288 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 N . . . . . . . . . rr_2l2w 1
. 10 . 1902 . 1 1 11 . OD2 O -8.891 2.325 2.142 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OD2 . . . . . . . . . rr_2l2w 1
. 10 . 1903 . 1 1 11 . OG3 O -5.623 0.796 1.635 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OG3 . . . . . . . . . rr_2l2w 1
. 10 . 1904 . 1 1 12 . C C -1.443 2.392 3.799 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 C . . . . . . . . . rr_2l2w 1
. 10 . 1905 . 1 1 12 . CA C -2.822 2.829 3.914 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CA . . . . . . . . . rr_2l2w 1
. 10 . 1906 . 1 1 12 . CB C -3.268 3.597 5.031 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CB . . . . . . . . . rr_2l2w 1
. 10 . 1907 . 1 1 12 . HB H -2.654 3.912 5.861 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 HB . . . . . . . . . rr_2l2w 1
. 10 . 1908 . 1 1 12 . N N -3.786 2.559 3.000 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 N . . . . . . . . . rr_2l2w 1
. 10 . 1909 . 1 1 12 . O O -0.571 2.652 4.630 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 O . . . . . . . . . rr_2l2w 1
. 10 . 1910 . 1 1 12 . SG S -4.905 3.927 4.839 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 SG . . . . . . . . . rr_2l2w 1
. 10 . 1911 . 1 1 13 THR C C 0.770 1.905 1.253 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_2l2w 1
. 10 . 1912 . 1 1 13 THR CA C 0.154 1.173 2.431 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_2l2w 1
. 10 . 1913 . 1 1 13 THR CB C 0.184 -0.348 2.187 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_2l2w 1
. 10 . 1914 . 1 1 13 THR CG2 C -0.020 -1.109 3.479 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_2l2w 1
. 10 . 1915 . 1 1 13 THR H H -1.922 1.466 2.085 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_2l2w 1
. 10 . 1916 . 1 1 13 THR HA H 0.755 1.369 3.306 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_2l2w 1
. 10 . 1917 . 1 1 13 THR HB H 1.146 -0.623 1.777 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_2l2w 1
. 10 . 1918 . 1 1 13 THR HG21 H -0.733 -0.584 4.098 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_2l2w 1
. 10 . 1919 . 1 1 13 THR HG22 H 0.926 -1.183 3.995 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_2l2w 1
. 10 . 1920 . 1 1 13 THR HG23 H -0.389 -2.098 3.258 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_2l2w 1
. 10 . 1921 . 1 1 13 THR N N -1.194 1.668 2.710 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_2l2w 1
. 10 . 1922 . 1 1 13 THR OG1 O -0.901 -0.761 1.263 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_2l2w 1
. 10 . 1923 . 1 1 14 . C C 3.497 2.163 -1.041 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 C . . . . . . . . . rr_2l2w 1
. 10 . 1924 . 1 1 14 . CA C 2.212 2.397 -0.307 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CA . . . . . . . . . rr_2l2w 1
. 10 . 1925 . 1 1 14 . CB C 1.238 3.411 -0.578 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CB . . . . . . . . . rr_2l2w 1
. 10 . 1926 . 1 1 14 . HB H 1.302 4.156 -1.358 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 HB . . . . . . . . . rr_2l2w 1
. 10 . 1927 . 1 1 14 . N N 1.897 1.591 0.719 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 N . . . . . . . . . rr_2l2w 1
. 10 . 1928 . 1 1 14 . SG S -0.024 3.246 0.527 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 SG . . . . . . . . . rr_2l2w 1
. 10 . 1929 . 1 1 15 . C C 6.671 2.425 0.891 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 C . . . . . . . . . rr_2l2w 1
. 10 . 1930 . 1 1 15 . CA C 5.696 1.977 -0.126 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CA . . . . . . . . . rr_2l2w 1
. 10 . 1931 . 1 1 15 . CB C 6.152 0.954 -1.079 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CB . . . . . . . . . rr_2l2w 1
. 10 . 1932 . 1 1 15 . HB2 H 6.332 0.032 -0.547 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB2 . . . . . . . . . rr_2l2w 1
. 10 . 1933 . 1 1 15 . HB3 H 7.073 1.277 -1.544 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB3 . . . . . . . . . rr_2l2w 1
. 10 . 1934 . 1 1 15 . N N 4.538 2.537 -0.069 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 N . . . . . . . . . rr_2l2w 1
. 10 . 1935 . 1 1 16 . C C 9.931 2.219 2.314 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 C . . . . . . . . . rr_2l2w 1
. 10 . 1936 . 1 1 16 . CA C 8.557 2.546 1.991 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CA . . . . . . . . . rr_2l2w 1
. 10 . 1937 . 1 1 16 . CB C 7.805 3.516 2.727 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CB . . . . . . . . . rr_2l2w 1
. 10 . 1938 . 1 1 16 . HB H 8.165 4.087 3.569 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 HB . . . . . . . . . rr_2l2w 1
. 10 . 1939 . 1 1 16 . N N 7.875 1.968 0.977 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 N . . . . . . . . . rr_2l2w 1
. 10 . 1940 . 1 1 16 . O O 10.570 2.736 3.229 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 O . . . . . . . . . rr_2l2w 1
. 10 . 1941 . 1 1 16 . SG S 6.261 3.618 2.057 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 SG . . . . . . . . . rr_2l2w 1
. 10 . 1942 . 1 1 17 DHA C C 11.996 -0.385 0.642 . . . 1.0 . . . . . . . . . . . . A . 16 DHA C . . . . . . . . . rr_2l2w 1
. 10 . 1943 . 1 1 17 DHA CA C 11.810 0.752 1.529 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CA . . . . . . . . . rr_2l2w 1
. 10 . 1944 . 1 1 17 DHA CB C 12.812 1.225 2.258 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CB . . . . . . . . . rr_2l2w 1
. 10 . 1945 . 1 1 17 DHA H H 9.814 0.892 0.853 . . . 1.0 . . . . . . . . . . . . A . 16 DHA H . . . . . . . . . rr_2l2w 1
. 10 . 1946 . 1 1 17 DHA HB1 H 12.657 2.068 2.911 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB1 . . . . . . . . . rr_2l2w 1
. 10 . 1947 . 1 1 17 DHA HB2 H 13.786 0.764 2.198 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB2 . . . . . . . . . rr_2l2w 1
. 10 . 1948 . 1 1 17 DHA N N 10.431 1.276 1.511 . . . 1.0 . . . . . . . . . . . . A . 16 DHA N . . . . . . . . . rr_2l2w 1
. 10 . 1949 . 1 1 17 DHA O O 11.013 -0.762 0.006 . . . 1.0 . . . . . . . . . . . . A . 16 DHA O . . . . . . . . . rr_2l2w 1
. 10 . 1950 . 1 1 18 DHA C C 14.971 -2.444 -0.239 . . . 1.0 . . . . . . . . . . . . A . 17 DHA C . . . . . . . . . rr_2l2w 1
. 10 . 1951 . 1 1 18 DHA CA C 13.553 -2.125 -0.281 . . . 1.0 . . . . . . . . . . . . A . 17 DHA CA . . . . . . . . . rr_2l2w 1
. 10 . 1952 . 1 1 18 DHA CB C 12.712 -2.843 -1.011 . . . 1.0 . . . . . . . . . . . . A . 17 DHA CB . . . . . . . . . rr_2l2w 1
. 10 . 1953 . 1 1 18 DHA H H 13.917 -0.558 1.084 . . . 1.0 . . . . . . . . . . . . A . 17 DHA H . . . . . . . . . rr_2l2w 1
. 10 . 1954 . 1 1 18 DHA HB1 H 11.664 -2.594 -1.032 . . . 1.0 . . . . . . . . . . . . A . 17 DHA HB1 . . . . . . . . . rr_2l2w 1
. 10 . 1955 . 1 1 18 DHA HB2 H 13.078 -3.680 -1.586 . . . 1.0 . . . . . . . . . . . . A . 17 DHA HB2 . . . . . . . . . rr_2l2w 1
. 10 . 1956 . 1 1 18 DHA N N 13.200 -0.959 0.550 . . . 1.0 . . . . . . . . . . . . A . 17 DHA N . . . . . . . . . rr_2l2w 1
. 10 . 1957 . 1 1 18 DHA O O 15.693 -1.733 0.461 . . . 1.0 . . . . . . . . . . . . A . 17 DHA O . . . . . . . . . rr_2l2w 1
. 10 . 1958 . 1 1 19 NH2 HN1 H 16.392 -3.684 -0.908 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN1 . . . . . . . . . rr_2l2w 1
. 10 . 1959 . 1 1 19 NH2 HN2 H 14.816 -4.006 -1.480 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN2 . . . . . . . . . rr_2l2w 1
. 10 . 1960 . 1 1 19 NH2 N N 15.436 -3.472 -0.940 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 N . . . . . . . . . rr_2l2w 1
. 11 . 1961 . 1 1 1 QUA C10 C -3.844 -2.558 -2.276 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C10 . . . . . . . . . rr_2l2w 1
. 11 . 1962 . 1 1 1 QUA C11 C -0.562 -1.204 0.045 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C11 . . . . . . . . . rr_2l2w 1
. 11 . 1963 . 1 1 1 QUA C13 C -2.297 -3.041 -4.253 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C13 . . . . . . . . . rr_2l2w 1
. 11 . 1964 . 1 1 1 QUA C14 C -2.202 -4.560 -4.279 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C14 . . . . . . . . . rr_2l2w 1
. 11 . 1965 . 1 1 1 QUA C2 C -1.740 -1.676 -0.749 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C2 . . . . . . . . . rr_2l2w 1
. 11 . 1966 . 1 1 1 QUA C3 C -1.490 -2.110 -2.044 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C3 . . . . . . . . . rr_2l2w 1
. 11 . 1967 . 1 1 1 QUA C4 C -2.553 -2.559 -2.826 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C4 . . . . . . . . . rr_2l2w 1
. 11 . 1968 . 1 1 1 QUA C5 C -5.025 -3.011 -3.027 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C5 . . . . . . . . . rr_2l2w 1
. 11 . 1969 . 1 1 1 QUA C6 C -6.143 -3.300 -2.433 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C6 . . . . . . . . . rr_2l2w 1
. 11 . 1970 . 1 1 1 QUA C7 C -6.307 -3.194 -0.914 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C7 . . . . . . . . . rr_2l2w 1
. 11 . 1971 . 1 1 1 QUA C8 C -5.382 -2.089 -0.329 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C8 . . . . . . . . . rr_2l2w 1
. 11 . 1972 . 1 1 1 QUA C9 C -4.000 -2.109 -0.973 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C9 . . . . . . . . . rr_2l2w 1
. 11 . 1973 . 1 1 1 QUA H13 H -3.115 -2.741 -4.888 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H13 . . . . . . . . . rr_2l2w 1
. 11 . 1974 . 1 1 1 QUA H141 H -1.412 -4.882 -3.616 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H141 . . . . . . . . . rr_2l2w 1
. 11 . 1975 . 1 1 1 QUA H142 H -1.984 -4.888 -5.285 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H142 . . . . . . . . . rr_2l2w 1
. 11 . 1976 . 1 1 1 QUA H143 H -3.140 -4.985 -3.956 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H143 . . . . . . . . . rr_2l2w 1
. 11 . 1977 . 1 1 1 QUA H15 H -0.471 -3.189 -4.985 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H15 . . . . . . . . . rr_2l2w 1
. 11 . 1978 . 1 1 1 QUA H16 H -5.325 -0.128 -0.523 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H16 . . . . . . . . . rr_2l2w 1
. 11 . 1979 . 1 1 1 QUA HC3 H -0.485 -2.098 -2.440 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC3 . . . . . . . . . rr_2l2w 1
. 11 . 1980 . 1 1 1 QUA HC5 H -4.964 -3.102 -4.100 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC5 . . . . . . . . . rr_2l2w 1
. 11 . 1981 . 1 1 1 QUA HC6 H -6.982 -3.626 -3.029 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC6 . . . . . . . . . rr_2l2w 1
. 11 . 1982 . 1 1 1 QUA HC71 H -7.332 -2.952 -0.676 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC71 . . . . . . . . . rr_2l2w 1
. 11 . 1983 . 1 1 1 QUA HC8 H -5.282 -2.260 0.733 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC8 . . . . . . . . . rr_2l2w 1
. 11 . 1984 . 1 1 1 QUA N1 N -2.979 -1.664 -0.187 . . . 1.0 . . . . . . . . . . . . A . 0 QUA N1 . . . . . . . . . rr_2l2w 1
. 11 . 1985 . 1 1 1 QUA O12 O 0.585 -1.196 -0.402 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O12 . . . . . . . . . rr_2l2w 1
. 11 . 1986 . 1 1 1 QUA O15 O -1.085 -2.482 -4.775 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O15 . . . . . . . . . rr_2l2w 1
. 11 . 1987 . 1 1 1 QUA O16 O -5.998 -0.812 -0.524 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O16 . . . . . . . . . rr_2l2w 1
. 11 . 1988 . 1 1 2 ILE C C -5.105 -4.867 1.937 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2l2w 1
. 11 . 1989 . 1 1 2 ILE CA C -6.346 -4.688 1.085 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2l2w 1
. 11 . 1990 . 1 1 2 ILE CB C -7.304 -5.875 1.320 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2l2w 1
. 11 . 1991 . 1 1 2 ILE CD1 C -7.532 -8.398 1.013 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2l2w 1
. 11 . 1992 . 1 1 2 ILE CG1 C -6.761 -7.145 0.654 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2l2w 1
. 11 . 1993 . 1 1 2 ILE CG2 C -8.692 -5.538 0.789 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2l2w 1
. 11 . 1994 . 1 1 2 ILE H H -5.041 -4.732 -0.479 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H . . . . . . . . . rr_2l2w 1
. 11 . 1995 . 1 1 2 ILE HA H -6.842 -3.788 1.400 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2l2w 1
. 11 . 1996 . 1 1 2 ILE HB H -7.383 -6.039 2.384 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2l2w 1
. 11 . 1997 . 1 1 2 ILE HD11 H -7.584 -8.494 2.088 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2l2w 1
. 11 . 1998 . 1 1 2 ILE HD12 H -7.030 -9.261 0.600 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2l2w 1
. 11 . 1999 . 1 1 2 ILE HD13 H -8.532 -8.336 0.609 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2l2w 1
. 11 . 2000 . 1 1 2 ILE HG12 H -6.806 -7.029 -0.418 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2l2w 1
. 11 . 2001 . 1 1 2 ILE HG13 H -5.734 -7.292 0.952 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2l2w 1
. 11 . 2002 . 1 1 2 ILE HG21 H -9.382 -6.322 1.061 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2l2w 1
. 11 . 2003 . 1 1 2 ILE HG22 H -8.653 -5.449 -0.286 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2l2w 1
. 11 . 2004 . 1 1 2 ILE HG23 H -9.022 -4.604 1.216 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2l2w 1
. 11 . 2005 . 1 1 2 ILE N N -5.995 -4.546 -0.358 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2l2w 1
. 11 . 2006 . 1 1 2 ILE O O -5.146 -4.697 3.156 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2l2w 1
. 11 . 2007 . 1 1 3 ALA C C -1.594 -5.597 1.009 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2l2w 1
. 11 . 2008 . 1 1 3 ALA CA C -2.753 -5.465 1.990 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2l2w 1
. 11 . 2009 . 1 1 3 ALA CB C -2.895 -6.718 2.834 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2l2w 1
. 11 . 2010 . 1 1 3 ALA H H -4.020 -5.278 0.312 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2l2w 1
. 11 . 2011 . 1 1 3 ALA HA H -2.560 -4.631 2.651 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2l2w 1
. 11 . 2012 . 1 1 3 ALA HB1 H -2.040 -6.815 3.484 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2l2w 1
. 11 . 2013 . 1 1 3 ALA HB2 H -2.960 -7.579 2.188 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2l2w 1
. 11 . 2014 . 1 1 3 ALA HB3 H -3.796 -6.643 3.428 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2l2w 1
. 11 . 2015 . 1 1 3 ALA N N -3.998 -5.204 1.288 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2l2w 1
. 11 . 2016 . 1 1 3 ALA O O -1.652 -6.393 0.072 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2l2w 1
. 11 . 2017 . 1 1 4 DHA C C 1.606 -3.725 0.934 . . . 1.0 . . . . . . . . . . . . A . 3 DHA C . . . . . . . . . rr_2l2w 1
. 11 . 2018 . 1 1 4 DHA CA C 0.609 -4.605 0.357 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CA . . . . . . . . . rr_2l2w 1
. 11 . 2019 . 1 1 4 DHA CB C 0.765 -5.118 -0.856 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CB . . . . . . . . . rr_2l2w 1
. 11 . 2020 . 1 1 4 DHA H H -0.531 -4.342 2.105 . . . 1.0 . . . . . . . . . . . . A . 3 DHA H . . . . . . . . . rr_2l2w 1
. 11 . 2021 . 1 1 4 DHA HB1 H 0.006 -5.757 -1.278 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB1 . . . . . . . . . rr_2l2w 1
. 11 . 2022 . 1 1 4 DHA HB2 H 1.650 -4.885 -1.430 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB2 . . . . . . . . . rr_2l2w 1
. 11 . 2023 . 1 1 4 DHA N N -0.540 -4.815 1.247 . . . 1.0 . . . . . . . . . . . . A . 3 DHA N . . . . . . . . . rr_2l2w 1
. 11 . 2024 . 1 1 4 DHA O O 1.382 -3.283 2.059 . . . 1.0 . . . . . . . . . . . . A . 3 DHA O . . . . . . . . . rr_2l2w 1
. 11 . 2025 . 1 1 5 ALA C C 3.980 -1.486 -0.489 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_2l2w 1
. 11 . 2026 . 1 1 5 ALA CA C 3.617 -2.388 0.681 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_2l2w 1
. 11 . 2027 . 1 1 5 ALA CB C 4.859 -3.018 1.288 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_2l2w 1
. 11 . 2028 . 1 1 5 ALA H H 2.879 -3.906 -0.590 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_2l2w 1
. 11 . 2029 . 1 1 5 ALA HA H 3.127 -1.797 1.442 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_2l2w 1
. 11 . 2030 . 1 1 5 ALA HB1 H 5.401 -3.553 0.524 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . rr_2l2w 1
. 11 . 2031 . 1 1 5 ALA HB2 H 4.565 -3.704 2.071 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_2l2w 1
. 11 . 2032 . 1 1 5 ALA HB3 H 5.488 -2.245 1.706 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_2l2w 1
. 11 . 2033 . 1 1 5 ALA N N 2.692 -3.422 0.242 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_2l2w 1
. 11 . 2034 . 1 1 5 ALA O O 4.606 -1.938 -1.448 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_2l2w 1
. 11 . 2035 . 1 1 6 SER C C 2.638 0.364 -2.582 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2l2w 1
. 11 . 2036 . 1 1 6 SER CA C 3.660 0.712 -1.603 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2l2w 1
. 11 . 2037 . 1 1 6 SER CB C 5.093 0.735 -2.211 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2l2w 1
. 11 . 2038 . 1 1 6 SER H H 3.189 0.107 0.444 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2l2w 1
. 11 . 2039 . 1 1 6 SER HB2 H 5.316 -0.217 -2.668 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2l2w 1
. 11 . 2040 . 1 1 6 SER HB3 H 5.155 1.512 -2.959 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2l2w 1
. 11 . 2041 . 1 1 6 SER N N 3.571 -0.215 -0.407 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2l2w 1
. 11 . 2042 . 1 1 7 . C C -0.653 0.667 -3.938 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 C . . . . . . . . . rr_2l2w 1
. 11 . 2043 . 1 1 7 . CA C 0.723 0.304 -3.663 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CA . . . . . . . . . rr_2l2w 1
. 11 . 2044 . 1 1 7 . CB C 1.444 -0.647 -4.447 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CB . . . . . . . . . rr_2l2w 1
. 11 . 2045 . 1 1 7 . HB H 1.059 -1.183 -5.302 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 HB . . . . . . . . . rr_2l2w 1
. 11 . 2046 . 1 1 7 . N N 1.432 0.832 -2.644 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 N . . . . . . . . . rr_2l2w 1
. 11 . 2047 . 1 1 7 . O O -1.320 0.225 -4.875 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 O . . . . . . . . . rr_2l2w 1
. 11 . 2048 . 1 1 7 . SG S 2.996 -0.793 -3.809 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 SG . . . . . . . . . rr_2l2w 1
. 11 . 2049 . 1 1 8 THR C C -2.544 3.543 -2.906 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2l2w 1
. 11 . 2050 . 1 1 8 THR CA C -2.506 2.032 -3.122 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2l2w 1
. 11 . 2051 . 1 1 8 THR CB C -3.415 1.348 -2.080 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2l2w 1
. 11 . 2052 . 1 1 8 THR CG2 C -2.883 1.549 -0.668 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2l2w 1
. 11 . 2053 . 1 1 8 THR H H -0.557 1.842 -2.323 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2l2w 1
. 11 . 2054 . 1 1 8 THR HA H -2.893 1.810 -4.107 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2l2w 1
. 11 . 2055 . 1 1 8 THR HB H -3.439 0.289 -2.291 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2l2w 1
. 11 . 2056 . 1 1 8 THR HG1 H -5.095 2.015 -1.288 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2l2w 1
. 11 . 2057 . 1 1 8 THR HG21 H -3.434 0.922 0.017 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2l2w 1
. 11 . 2058 . 1 1 8 THR HG22 H -3.001 2.583 -0.381 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2l2w 1
. 11 . 2059 . 1 1 8 THR HG23 H -1.837 1.284 -0.634 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2l2w 1
. 11 . 2060 . 1 1 8 THR N N -1.138 1.532 -3.049 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2l2w 1
. 11 . 2061 . 1 1 8 THR O O -1.543 4.148 -2.523 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2l2w 1
. 11 . 2062 . 1 1 8 THR OG1 O -4.747 1.868 -2.171 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2l2w 1
. 11 . 2063 . 1 1 9 DBU C C -4.855 5.972 -1.906 . . . 1.0 . . . . . . . . . . . . A . 8 DBU C . . . . . . . . . rr_2l2w 1
. 11 . 2064 . 1 1 9 DBU CA C -3.949 5.586 -3.015 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CA . . . . . . . . . rr_2l2w 1
. 11 . 2065 . 1 1 9 DBU CB C -3.421 6.517 -3.807 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CB . . . . . . . . . rr_2l2w 1
. 11 . 2066 . 1 1 9 DBU CG C -2.479 6.188 -4.974 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CG . . . . . . . . . rr_2l2w 1
. 11 . 2067 . 1 1 9 DBU HG1 H -2.220 7.097 -5.496 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG1 . . . . . . . . . rr_2l2w 1
. 11 . 2068 . 1 1 9 DBU HG2 H -2.971 5.510 -5.655 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG2 . . . . . . . . . rr_2l2w 1
. 11 . 2069 . 1 1 9 DBU HG3 H -1.581 5.724 -4.592 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG3 . . . . . . . . . rr_2l2w 1
. 11 . 2070 . 1 1 9 DBU N N -3.703 4.148 -3.153 . . . 1.0 . . . . . . . . . . . . A . 8 DBU N . . . . . . . . . rr_2l2w 1
. 11 . 2071 . 1 1 10 . C C -6.276 5.045 1.236 . . . 1.0 . . . . . . . . . . . . A . 9 DCY C . . . . . . . . . rr_2l2w 1
. 11 . 2072 . 1 1 10 . CA C -6.273 5.746 -0.108 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CA . . . . . . . . . rr_2l2w 1
. 11 . 2073 . 1 1 10 . CB C -5.798 7.189 0.046 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CB . . . . . . . . . rr_2l2w 1
. 11 . 2074 . 1 1 10 . HA H -7.284 5.768 -0.482 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HA . . . . . . . . . rr_2l2w 1
. 11 . 2075 . 1 1 10 . HB2 H -6.620 7.824 0.361 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB2 . . . . . . . . . rr_2l2w 1
. 11 . 2076 . 1 1 10 . HB3 H -4.978 7.249 0.740 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB3 . . . . . . . . . rr_2l2w 1
. 11 . 2077 . 1 1 10 . N N -5.420 5.098 -1.116 . . . 1.0 . . . . . . . . . . . . A . 9 DCY N . . . . . . . . . rr_2l2w 1
. 11 . 2078 . 1 1 10 . O O -6.446 5.724 2.248 . . . 1.0 . . . . . . . . . . . . A . 9 DCY O . . . . . . . . . rr_2l2w 1
. 11 . 2079 . 1 1 10 . SG S -5.221 7.635 -1.596 . . . 1.0 . . . . . . . . . . . . A . 9 DCY SG . . . . . . . . . rr_2l2w 1
. 11 . 2080 . 1 1 11 . C C -4.948 3.043 3.323 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 C . . . . . . . . . rr_2l2w 1
. 11 . 2081 . 1 1 11 . CA C -6.239 2.968 2.503 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CA . . . . . . . . . rr_2l2w 1
. 11 . 2082 . 1 1 11 . CB C -6.648 1.483 2.210 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CB . . . . . . . . . rr_2l2w 1
. 11 . 2083 . 1 1 11 . CD1 C -8.544 0.174 0.965 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CD1 . . . . . . . . . rr_2l2w 1
. 11 . 2084 . 1 1 11 . CG1 C -7.899 1.522 1.262 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG1 . . . . . . . . . rr_2l2w 1
. 11 . 2085 . 1 1 11 . CG2 C -6.968 0.758 3.481 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG2 . . . . . . . . . rr_2l2w 1
. 11 . 2086 . 1 1 11 . H H -5.865 3.254 0.436 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 H . . . . . . . . . rr_2l2w 1
. 11 . 2087 . 1 1 11 . HA H -7.033 3.434 3.069 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HA . . . . . . . . . rr_2l2w 1
. 11 . 2088 . 1 1 11 . HD11 H -9.077 0.229 0.027 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD11 . . . . . . . . . rr_2l2w 1
. 11 . 2089 . 1 1 11 . HD12 H -9.235 -0.075 1.756 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD12 . . . . . . . . . rr_2l2w 1
. 11 . 2090 . 1 1 11 . HD13 H -7.781 -0.585 0.902 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD13 . . . . . . . . . rr_2l2w 1
. 11 . 2091 . 1 1 11 . HD2 H -9.220 1.913 2.675 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD2 . . . . . . . . . rr_2l2w 1
. 11 . 2092 . 1 1 11 . HG1 H -7.620 1.974 0.323 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG1 . . . . . . . . . rr_2l2w 1
. 11 . 2093 . 1 1 11 . HG21 H -6.110 0.776 4.135 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG21 . . . . . . . . . rr_2l2w 1
. 11 . 2094 . 1 1 11 . HG22 H -7.226 -0.267 3.259 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG22 . . . . . . . . . rr_2l2w 1
. 11 . 2095 . 1 1 11 . HG23 H -7.801 1.241 3.970 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG23 . . . . . . . . . rr_2l2w 1
. 11 . 2096 . 1 1 11 . HG3 H -5.336 0.040 2.031 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG3 . . . . . . . . . rr_2l2w 1
. 11 . 2097 . 1 1 11 . N N -6.097 3.725 1.263 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 N . . . . . . . . . rr_2l2w 1
. 11 . 2098 . 1 1 11 . OD2 O -8.862 2.366 1.907 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OD2 . . . . . . . . . rr_2l2w 1
. 11 . 2099 . 1 1 11 . OG3 O -5.582 0.830 1.545 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OG3 . . . . . . . . . rr_2l2w 1
. 11 . 2100 . 1 1 12 . C C -1.482 2.319 3.829 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 C . . . . . . . . . rr_2l2w 1
. 11 . 2101 . 1 1 12 . CA C -2.857 2.768 3.927 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CA . . . . . . . . . rr_2l2w 1
. 11 . 2102 . 1 1 12 . CB C -3.320 3.516 5.053 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CB . . . . . . . . . rr_2l2w 1
. 11 . 2103 . 1 1 12 . HB H -2.722 3.807 5.903 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 HB . . . . . . . . . rr_2l2w 1
. 11 . 2104 . 1 1 12 . N N -3.805 2.530 2.987 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 N . . . . . . . . . rr_2l2w 1
. 11 . 2105 . 1 1 12 . O O -0.623 2.545 4.682 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 O . . . . . . . . . rr_2l2w 1
. 11 . 2106 . 1 1 12 . SG S -4.950 3.867 4.833 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 SG . . . . . . . . . rr_2l2w 1
. 11 . 2107 . 1 1 13 THR C C 0.736 1.876 1.261 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_2l2w 1
. 11 . 2108 . 1 1 13 THR CA C 0.128 1.139 2.441 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_2l2w 1
. 11 . 2109 . 1 1 13 THR CB C 0.167 -0.380 2.193 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_2l2w 1
. 11 . 2110 . 1 1 13 THR CG2 C -0.031 -1.146 3.482 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_2l2w 1
. 11 . 2111 . 1 1 13 THR H H -1.944 1.438 2.087 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_2l2w 1
. 11 . 2112 . 1 1 13 THR HA H 0.731 1.336 3.315 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_2l2w 1
. 11 . 2113 . 1 1 13 THR HB H 1.131 -0.648 1.782 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_2l2w 1
. 11 . 2114 . 1 1 13 THR HG21 H -0.780 -0.654 4.083 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_2l2w 1
. 11 . 2115 . 1 1 13 THR HG22 H 0.905 -1.178 4.018 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_2l2w 1
. 11 . 2116 . 1 1 13 THR HG23 H -0.351 -2.152 3.256 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_2l2w 1
. 11 . 2117 . 1 1 13 THR N N -1.221 1.625 2.722 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_2l2w 1
. 11 . 2118 . 1 1 13 THR OG1 O -0.914 -0.793 1.264 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_2l2w 1
. 11 . 2119 . 1 1 14 . C C 3.456 2.165 -1.035 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 C . . . . . . . . . rr_2l2w 1
. 11 . 2120 . 1 1 14 . CA C 2.169 2.383 -0.300 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CA . . . . . . . . . rr_2l2w 1
. 11 . 2121 . 1 1 14 . CB C 1.185 3.386 -0.570 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CB . . . . . . . . . rr_2l2w 1
. 11 . 2122 . 1 1 14 . HB H 1.239 4.130 -1.350 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 HB . . . . . . . . . rr_2l2w 1
. 11 . 2123 . 1 1 14 . N N 1.866 1.574 0.727 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 N . . . . . . . . . rr_2l2w 1
. 11 . 2124 . 1 1 14 . SG S -0.073 3.208 0.536 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 SG . . . . . . . . . rr_2l2w 1
. 11 . 2125 . 1 1 15 . C C 6.630 2.417 0.895 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 C . . . . . . . . . rr_2l2w 1
. 11 . 2126 . 1 1 15 . CA C 5.659 1.992 -0.135 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CA . . . . . . . . . rr_2l2w 1
. 11 . 2127 . 1 1 15 . CB C 6.131 1.013 -1.127 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CB . . . . . . . . . rr_2l2w 1
. 11 . 2128 . 1 1 15 . HB2 H 6.357 0.085 -0.624 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB2 . . . . . . . . . rr_2l2w 1
. 11 . 2129 . 1 1 15 . HB3 H 7.028 1.384 -1.602 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB3 . . . . . . . . . rr_2l2w 1
. 11 . 2130 . 1 1 15 . N N 4.491 2.526 -0.053 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 N . . . . . . . . . rr_2l2w 1
. 11 . 2131 . 1 1 16 . C C 9.904 2.212 2.280 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 C . . . . . . . . . rr_2l2w 1
. 11 . 2132 . 1 1 16 . CA C 8.521 2.527 1.987 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CA . . . . . . . . . rr_2l2w 1
. 11 . 2133 . 1 1 16 . CB C 7.755 3.445 2.774 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CB . . . . . . . . . rr_2l2w 1
. 11 . 2134 . 1 1 16 . HB H 8.111 3.983 3.640 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 HB . . . . . . . . . rr_2l2w 1
. 11 . 2135 . 1 1 16 . N N 7.844 1.982 0.951 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 N . . . . . . . . . rr_2l2w 1
. 11 . 2136 . 1 1 16 . O O 10.543 2.692 3.215 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 O . . . . . . . . . rr_2l2w 1
. 11 . 2137 . 1 1 16 . SG S 6.204 3.545 2.121 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 SG . . . . . . . . . rr_2l2w 1
. 11 . 2138 . 1 1 17 DHA C C 12.007 -0.194 0.371 . . . 1.0 . . . . . . . . . . . . A . 16 DHA C . . . . . . . . . rr_2l2w 1
. 11 . 2139 . 1 1 17 DHA CA C 11.791 0.805 1.407 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CA . . . . . . . . . rr_2l2w 1
. 11 . 2140 . 1 1 17 DHA CB C 12.768 1.164 2.228 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CB . . . . . . . . . rr_2l2w 1
. 11 . 2141 . 1 1 17 DHA H H 9.806 0.998 0.723 . . . 1.0 . . . . . . . . . . . . A . 16 DHA H . . . . . . . . . rr_2l2w 1
. 11 . 2142 . 1 1 17 DHA HB1 H 12.591 1.904 2.992 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB1 . . . . . . . . . rr_2l2w 1
. 11 . 2143 . 1 1 17 DHA HB2 H 13.745 0.713 2.134 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB2 . . . . . . . . . rr_2l2w 1
. 11 . 2144 . 1 1 17 DHA N N 10.413 1.329 1.417 . . . 1.0 . . . . . . . . . . . . A . 16 DHA N . . . . . . . . . rr_2l2w 1
. 11 . 2145 . 1 1 17 DHA O O 11.045 -0.468 -0.345 . . . 1.0 . . . . . . . . . . . . A . 16 DHA O . . . . . . . . . rr_2l2w 1
. 11 . 2146 . 1 1 18 DHA C C 15.008 -2.100 -0.726 . . . 1.0 . . . . . . . . . . . . A . 17 DHA C . . . . . . . . . rr_2l2w 1
. 11 . 2147 . 1 1 18 DHA CA C 13.589 -1.787 -0.748 . . . 1.0 . . . . . . . . . . . . A . 17 DHA CA . . . . . . . . . rr_2l2w 1
. 11 . 2148 . 1 1 18 DHA CB C 12.765 -2.399 -1.587 . . . 1.0 . . . . . . . . . . . . A . 17 DHA CB . . . . . . . . . rr_2l2w 1
. 11 . 2149 . 1 1 18 DHA H H 13.913 -0.438 0.841 . . . 1.0 . . . . . . . . . . . . A . 17 DHA H . . . . . . . . . rr_2l2w 1
. 11 . 2150 . 1 1 18 DHA HB1 H 11.714 -2.156 -1.591 . . . 1.0 . . . . . . . . . . . . A . 17 DHA HB1 . . . . . . . . . rr_2l2w 1
. 11 . 2151 . 1 1 18 DHA HB2 H 13.146 -3.145 -2.269 . . . 1.0 . . . . . . . . . . . . A . 17 DHA HB2 . . . . . . . . . rr_2l2w 1
. 11 . 2152 . 1 1 18 DHA N N 13.212 -0.753 0.234 . . . 1.0 . . . . . . . . . . . . A . 17 DHA N . . . . . . . . . rr_2l2w 1
. 11 . 2153 . 1 1 18 DHA O O 15.711 -1.491 0.079 . . . 1.0 . . . . . . . . . . . . A . 17 DHA O . . . . . . . . . rr_2l2w 1
. 11 . 2154 . 1 1 19 NH2 HN1 H 16.450 -3.223 -1.542 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN1 . . . . . . . . . rr_2l2w 1
. 11 . 2155 . 1 1 19 NH2 HN2 H 14.887 -3.470 -2.181 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN2 . . . . . . . . . rr_2l2w 1
. 11 . 2156 . 1 1 19 NH2 N N 15.492 -3.015 -1.560 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 N . . . . . . . . . rr_2l2w 1
. 12 . 2157 . 1 1 1 QUA C10 C -3.865 -2.482 -2.241 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C10 . . . . . . . . . rr_2l2w 1
. 12 . 2158 . 1 1 1 QUA C11 C -0.558 -1.165 0.068 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C11 . . . . . . . . . rr_2l2w 1
. 12 . 2159 . 1 1 1 QUA C13 C -2.358 -2.844 -4.275 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C13 . . . . . . . . . rr_2l2w 1
. 12 . 2160 . 1 1 1 QUA C14 C -2.314 -4.361 -4.389 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C14 . . . . . . . . . rr_2l2w 1
. 12 . 2161 . 1 1 1 QUA C2 C -1.744 -1.628 -0.722 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C2 . . . . . . . . . rr_2l2w 1
. 12 . 2162 . 1 1 1 QUA C3 C -1.514 -1.998 -2.042 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C3 . . . . . . . . . rr_2l2w 1
. 12 . 2163 . 1 1 1 QUA C4 C -2.588 -2.432 -2.820 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C4 . . . . . . . . . rr_2l2w 1
. 12 . 2164 . 1 1 1 QUA C5 C -5.054 -2.920 -2.988 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C5 . . . . . . . . . rr_2l2w 1
. 12 . 2165 . 1 1 1 QUA C6 C -6.156 -3.250 -2.390 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C6 . . . . . . . . . rr_2l2w 1
. 12 . 2166 . 1 1 1 QUA C7 C -6.296 -3.214 -0.865 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C7 . . . . . . . . . rr_2l2w 1
. 12 . 2167 . 1 1 1 QUA C8 C -5.367 -2.136 -0.238 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C8 . . . . . . . . . rr_2l2w 1
. 12 . 2168 . 1 1 1 QUA C9 C -4.000 -2.096 -0.916 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C9 . . . . . . . . . rr_2l2w 1
. 12 . 2169 . 1 1 1 QUA H13 H -3.170 -2.482 -4.886 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H13 . . . . . . . . . rr_2l2w 1
. 12 . 2170 . 1 1 1 QUA H141 H -1.534 -4.748 -3.751 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H141 . . . . . . . . . rr_2l2w 1
. 12 . 2171 . 1 1 1 QUA H142 H -2.112 -4.640 -5.413 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H142 . . . . . . . . . rr_2l2w 1
. 12 . 2172 . 1 1 1 QUA H143 H -3.266 -4.774 -4.086 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H143 . . . . . . . . . rr_2l2w 1
. 12 . 2173 . 1 1 1 QUA H15 H -1.104 -2.400 -5.732 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H15 . . . . . . . . . rr_2l2w 1
. 12 . 2174 . 1 1 1 QUA H16 H -5.363 -0.202 -0.626 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H16 . . . . . . . . . rr_2l2w 1
. 12 . 2175 . 1 1 1 QUA HC3 H -0.520 -1.948 -2.459 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC3 . . . . . . . . . rr_2l2w 1
. 12 . 2176 . 1 1 1 QUA HC5 H -5.013 -2.965 -4.066 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC5 . . . . . . . . . rr_2l2w 1
. 12 . 2177 . 1 1 1 QUA HC6 H -7.002 -3.563 -2.985 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC6 . . . . . . . . . rr_2l2w 1
. 12 . 2178 . 1 1 1 QUA HC71 H -7.317 -2.992 -0.600 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC71 . . . . . . . . . rr_2l2w 1
. 12 . 2179 . 1 1 1 QUA HC8 H -5.237 -2.375 0.809 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC8 . . . . . . . . . rr_2l2w 1
. 12 . 2180 . 1 1 1 QUA N1 N -2.970 -1.668 -0.133 . . . 1.0 . . . . . . . . . . . . A . 0 QUA N1 . . . . . . . . . rr_2l2w 1
. 12 . 2181 . 1 1 1 QUA O12 O 0.584 -1.141 -0.392 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O12 . . . . . . . . . rr_2l2w 1
. 12 . 2182 . 1 1 1 QUA O15 O -1.131 -2.300 -4.778 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O15 . . . . . . . . . rr_2l2w 1
. 12 . 2183 . 1 1 1 QUA O16 O -6.002 -0.856 -0.334 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O16 . . . . . . . . . rr_2l2w 1
. 12 . 2184 . 1 1 2 ILE C C -5.140 -5.100 1.898 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2l2w 1
. 12 . 2185 . 1 1 2 ILE CA C -6.359 -4.834 1.034 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2l2w 1
. 12 . 2186 . 1 1 2 ILE CB C -7.338 -6.023 1.151 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2l2w 1
. 12 . 2187 . 1 1 2 ILE CD1 C -7.626 -8.491 0.560 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2l2w 1
. 12 . 2188 . 1 1 2 ILE CG1 C -6.813 -7.228 0.360 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2l2w 1
. 12 . 2189 . 1 1 2 ILE CG2 C -8.721 -5.615 0.661 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2l2w 1
. 12 . 2190 . 1 1 2 ILE H H -5.006 -4.745 -0.486 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H . . . . . . . . . rr_2l2w 1
. 12 . 2191 . 1 1 2 ILE HA H -6.849 -3.954 1.406 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2l2w 1
. 12 . 2192 . 1 1 2 ILE HB H -7.418 -6.292 2.194 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2l2w 1
. 12 . 2193 . 1 1 2 ILE HD11 H -7.109 -9.325 0.111 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2l2w 1
. 12 . 2194 . 1 1 2 ILE HD12 H -8.593 -8.374 0.095 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2l2w 1
. 12 . 2195 . 1 1 2 ILE HD13 H -7.755 -8.672 1.617 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2l2w 1
. 12 . 2196 . 1 1 2 ILE HG12 H -6.828 -6.992 -0.693 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2l2w 1
. 12 . 2197 . 1 1 2 ILE HG13 H -5.798 -7.436 0.663 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2l2w 1
. 12 . 2198 . 1 1 2 ILE HG21 H -8.692 -5.458 -0.407 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2l2w 1
. 12 . 2199 . 1 1 2 ILE HG22 H -9.021 -4.701 1.151 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2l2w 1
. 12 . 2200 . 1 1 2 ILE HG23 H -9.430 -6.396 0.890 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2l2w 1
. 12 . 2201 . 1 1 2 ILE N N -5.967 -4.590 -0.384 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2l2w 1
. 12 . 2202 . 1 1 2 ILE O O -5.218 -5.066 3.127 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2l2w 1
. 12 . 2203 . 1 1 3 ALA C C -1.609 -5.767 0.980 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2l2w 1
. 12 . 2204 . 1 1 3 ALA CA C -2.786 -5.699 1.947 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2l2w 1
. 12 . 2205 . 1 1 3 ALA CB C -2.965 -7.019 2.675 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2l2w 1
. 12 . 2206 . 1 1 3 ALA H H -4.005 -5.311 0.268 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2l2w 1
. 12 . 2207 . 1 1 3 ALA HA H -2.593 -4.932 2.683 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2l2w 1
. 12 . 2208 . 1 1 3 ALA HB1 H -3.071 -7.814 1.953 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2l2w 1
. 12 . 2209 . 1 1 3 ALA HB2 H -3.855 -6.969 3.286 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2l2w 1
. 12 . 2210 . 1 1 3 ALA HB3 H -2.107 -7.209 3.300 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2l2w 1
. 12 . 2211 . 1 1 3 ALA N N -4.012 -5.355 1.246 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2l2w 1
. 12 . 2212 . 1 1 3 ALA O O -1.603 -6.580 0.056 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2l2w 1
. 12 . 2213 . 1 1 4 DHA C C 1.514 -3.763 0.938 . . . 1.0 . . . . . . . . . . . . A . 3 DHA C . . . . . . . . . rr_2l2w 1
. 12 . 2214 . 1 1 4 DHA CA C 0.542 -4.657 0.339 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CA . . . . . . . . . rr_2l2w 1
. 12 . 2215 . 1 1 4 DHA CB C 0.720 -5.146 -0.880 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CB . . . . . . . . . rr_2l2w 1
. 12 . 2216 . 1 1 4 DHA H H -0.649 -4.418 2.060 . . . 1.0 . . . . . . . . . . . . A . 3 DHA H . . . . . . . . . rr_2l2w 1
. 12 . 2217 . 1 1 4 DHA HB1 H -0.018 -5.796 -1.319 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB1 . . . . . . . . . rr_2l2w 1
. 12 . 2218 . 1 1 4 DHA HB2 H 1.604 -4.881 -1.442 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB2 . . . . . . . . . rr_2l2w 1
. 12 . 2219 . 1 1 4 DHA N N -0.612 -4.913 1.215 . . . 1.0 . . . . . . . . . . . . A . 3 DHA N . . . . . . . . . rr_2l2w 1
. 12 . 2220 . 1 1 4 DHA O O 1.273 -3.342 2.068 . . . 1.0 . . . . . . . . . . . . A . 3 DHA O . . . . . . . . . rr_2l2w 1
. 12 . 2221 . 1 1 5 ALA C C 3.923 -1.508 -0.445 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_2l2w 1
. 12 . 2222 . 1 1 5 ALA CA C 3.513 -2.395 0.721 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_2l2w 1
. 12 . 2223 . 1 1 5 ALA CB C 4.729 -3.021 1.385 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_2l2w 1
. 12 . 2224 . 1 1 5 ALA H H 2.801 -3.901 -0.579 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_2l2w 1
. 12 . 2225 . 1 1 5 ALA HA H 2.995 -1.794 1.455 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_2l2w 1
. 12 . 2226 . 1 1 5 ALA HB1 H 4.405 -3.672 2.184 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . rr_2l2w 1
. 12 . 2227 . 1 1 5 ALA HB2 H 5.360 -2.242 1.787 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_2l2w 1
. 12 . 2228 . 1 1 5 ALA HB3 H 5.283 -3.593 0.656 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_2l2w 1
. 12 . 2229 . 1 1 5 ALA N N 2.603 -3.432 0.259 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_2l2w 1
. 12 . 2230 . 1 1 5 ALA O O 4.551 -1.982 -1.392 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_2l2w 1
. 12 . 2231 . 1 1 6 SER C C 2.670 0.348 -2.573 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2l2w 1
. 12 . 2232 . 1 1 6 SER CA C 3.678 0.689 -1.579 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2l2w 1
. 12 . 2233 . 1 1 6 SER CB C 5.121 0.681 -2.162 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2l2w 1
. 12 . 2234 . 1 1 6 SER H H 3.177 0.117 0.470 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2l2w 1
. 12 . 2235 . 1 1 6 SER HB2 H 5.334 -0.279 -2.604 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2l2w 1
. 12 . 2236 . 1 1 6 SER HB3 H 5.208 1.448 -2.917 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2l2w 1
. 12 . 2237 . 1 1 6 SER N N 3.552 -0.224 -0.375 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2l2w 1
. 12 . 2238 . 1 1 7 . C C -0.582 0.698 -4.009 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 C . . . . . . . . . rr_2l2w 1
. 12 . 2239 . 1 1 7 . CA C 0.780 0.312 -3.695 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CA . . . . . . . . . rr_2l2w 1
. 12 . 2240 . 1 1 7 . CB C 1.497 -0.664 -4.450 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CB . . . . . . . . . rr_2l2w 1
. 12 . 2241 . 1 1 7 . HB H 1.120 -1.205 -5.305 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 HB . . . . . . . . . rr_2l2w 1
. 12 . 2242 . 1 1 7 . N N 1.476 0.840 -2.668 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 N . . . . . . . . . rr_2l2w 1
. 12 . 2243 . 1 1 7 . O O -1.232 0.261 -4.960 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 O . . . . . . . . . rr_2l2w 1
. 12 . 2244 . 1 1 7 . SG S 3.030 -0.834 -3.776 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 SG . . . . . . . . . rr_2l2w 1
. 12 . 2245 . 1 1 8 THR C C -2.508 3.572 -2.997 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2l2w 1
. 12 . 2246 . 1 1 8 THR CA C -2.447 2.069 -3.244 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2l2w 1
. 12 . 2247 . 1 1 8 THR CB C -3.385 1.351 -2.250 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2l2w 1
. 12 . 2248 . 1 1 8 THR CG2 C -2.941 1.573 -0.809 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2l2w 1
. 12 . 2249 . 1 1 8 THR H H -0.510 1.895 -2.408 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2l2w 1
. 12 . 2250 . 1 1 8 THR HA H -2.799 1.866 -4.245 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2l2w 1
. 12 . 2251 . 1 1 8 THR HB H -3.357 0.291 -2.458 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2l2w 1
. 12 . 2252 . 1 1 8 THR HG1 H -5.226 1.660 -1.611 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2l2w 1
. 12 . 2253 . 1 1 8 THR HG21 H -3.499 0.918 -0.155 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2l2w 1
. 12 . 2254 . 1 1 8 THR HG22 H -3.126 2.600 -0.528 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2l2w 1
. 12 . 2255 . 1 1 8 THR HG23 H -1.887 1.359 -0.720 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2l2w 1
. 12 . 2256 . 1 1 8 THR N N -1.079 1.574 -3.139 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2l2w 1
. 12 . 2257 . 1 1 8 THR O O -1.511 4.192 -2.621 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2l2w 1
. 12 . 2258 . 1 1 8 THR OG1 O -4.728 1.820 -2.415 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2l2w 1
. 12 . 2259 . 1 1 9 DBU C C -4.899 5.904 -1.925 . . . 1.0 . . . . . . . . . . . . A . 8 DBU C . . . . . . . . . rr_2l2w 1
. 12 . 2260 . 1 1 9 DBU CA C -3.971 5.580 -3.036 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CA . . . . . . . . . rr_2l2w 1
. 12 . 2261 . 1 1 9 DBU CB C -3.463 6.550 -3.792 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CB . . . . . . . . . rr_2l2w 1
. 12 . 2262 . 1 1 9 DBU CG C -2.499 6.287 -4.959 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CG . . . . . . . . . rr_2l2w 1
. 12 . 2263 . 1 1 9 DBU HG1 H -2.252 7.222 -5.440 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG1 . . . . . . . . . rr_2l2w 1
. 12 . 2264 . 1 1 9 DBU HG2 H -2.969 5.628 -5.674 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG2 . . . . . . . . . rr_2l2w 1
. 12 . 2265 . 1 1 9 DBU HG3 H -1.597 5.824 -4.584 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG3 . . . . . . . . . rr_2l2w 1
. 12 . 2266 . 1 1 9 DBU N N -3.683 4.154 -3.213 . . . 1.0 . . . . . . . . . . . . A . 8 DBU N . . . . . . . . . rr_2l2w 1
. 12 . 2267 . 1 1 10 . C C -6.206 4.933 1.253 . . . 1.0 . . . . . . . . . . . . A . 9 DCY C . . . . . . . . . rr_2l2w 1
. 12 . 2268 . 1 1 10 . CA C -6.283 5.588 -0.113 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CA . . . . . . . . . rr_2l2w 1
. 12 . 2269 . 1 1 10 . CB C -5.956 7.074 -0.004 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CB . . . . . . . . . rr_2l2w 1
. 12 . 2270 . 1 1 10 . HA H -7.295 5.496 -0.477 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HA . . . . . . . . . rr_2l2w 1
. 12 . 2271 . 1 1 10 . HB2 H -6.838 7.632 0.292 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB2 . . . . . . . . . rr_2l2w 1
. 12 . 2272 . 1 1 10 . HB3 H -5.149 7.239 0.688 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB3 . . . . . . . . . rr_2l2w 1
. 12 . 2273 . 1 1 10 . N N -5.376 4.999 -1.112 . . . 1.0 . . . . . . . . . . . . A . 9 DCY N . . . . . . . . . rr_2l2w 1
. 12 . 2274 . 1 1 10 . O O -6.223 5.657 2.249 . . . 1.0 . . . . . . . . . . . . A . 9 DCY O . . . . . . . . . rr_2l2w 1
. 12 . 2275 . 1 1 10 . SG S -5.424 7.532 -1.658 . . . 1.0 . . . . . . . . . . . . A . 9 DCY SG . . . . . . . . . rr_2l2w 1
. 12 . 2276 . 1 1 11 . C C -4.919 3.037 3.382 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 C . . . . . . . . . rr_2l2w 1
. 12 . 2277 . 1 1 11 . CA C -6.227 2.906 2.600 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CA . . . . . . . . . rr_2l2w 1
. 12 . 2278 . 1 1 11 . CB C -6.622 1.402 2.397 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CB . . . . . . . . . rr_2l2w 1
. 12 . 2279 . 1 1 11 . CD1 C -8.514 0.003 1.250 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CD1 . . . . . . . . . rr_2l2w 1
. 12 . 2280 . 1 1 11 . CG1 C -7.856 1.366 1.429 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG1 . . . . . . . . . rr_2l2w 1
. 12 . 2281 . 1 1 11 . CG2 C -6.958 0.763 3.710 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG2 . . . . . . . . . rr_2l2w 1
. 12 . 2282 . 1 1 11 . H H -5.996 3.088 0.498 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 H . . . . . . . . . rr_2l2w 1
. 12 . 2283 . 1 1 11 . HA H -7.013 3.390 3.161 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HA . . . . . . . . . rr_2l2w 1
. 12 . 2284 . 1 1 11 . HD11 H -7.751 -0.755 1.160 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD11 . . . . . . . . . rr_2l2w 1
. 12 . 2285 . 1 1 11 . HD12 H -9.121 0.011 0.358 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD12 . . . . . . . . . rr_2l2w 1
. 12 . 2286 . 1 1 11 . HD13 H -9.134 -0.212 2.107 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD13 . . . . . . . . . rr_2l2w 1
. 12 . 2287 . 1 1 11 . HD2 H -8.901 3.042 1.398 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD2 . . . . . . . . . rr_2l2w 1
. 12 . 2288 . 1 1 11 . HG1 H -7.557 1.724 0.456 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG1 . . . . . . . . . rr_2l2w 1
. 12 . 2289 . 1 1 11 . HG21 H -7.832 1.240 4.129 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG21 . . . . . . . . . rr_2l2w 1
. 12 . 2290 . 1 1 11 . HG22 H -6.127 0.876 4.390 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG22 . . . . . . . . . rr_2l2w 1
. 12 . 2291 . 1 1 11 . HG23 H -7.158 -0.287 3.561 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG23 . . . . . . . . . rr_2l2w 1
. 12 . 2292 . 1 1 11 . HG3 H -5.465 0.981 0.875 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG3 . . . . . . . . . rr_2l2w 1
. 12 . 2293 . 1 1 11 . N N -6.127 3.605 1.320 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 N . . . . . . . . . rr_2l2w 1
. 12 . 2294 . 1 1 11 . OD2 O -8.819 2.279 1.975 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OD2 . . . . . . . . . rr_2l2w 1
. 12 . 2295 . 1 1 11 . OG3 O -5.542 0.714 1.794 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OG3 . . . . . . . . . rr_2l2w 1
. 12 . 2296 . 1 1 12 . C C -1.431 2.389 3.828 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 C . . . . . . . . . rr_2l2w 1
. 12 . 2297 . 1 1 12 . CA C -2.810 2.820 3.943 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CA . . . . . . . . . rr_2l2w 1
. 12 . 2298 . 1 1 12 . CB C -3.258 3.604 5.050 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CB . . . . . . . . . rr_2l2w 1
. 12 . 2299 . 1 1 12 . HB H -2.644 3.937 5.873 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 HB . . . . . . . . . rr_2l2w 1
. 12 . 2300 . 1 1 12 . N N -3.776 2.529 3.039 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 N . . . . . . . . . rr_2l2w 1
. 12 . 2301 . 1 1 12 . O O -0.556 2.660 4.651 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 O . . . . . . . . . rr_2l2w 1
. 12 . 2302 . 1 1 12 . SG S -4.899 3.920 4.858 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 SG . . . . . . . . . rr_2l2w 1
. 12 . 2303 . 1 1 13 THR C C 0.765 1.890 1.270 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_2l2w 1
. 12 . 2304 . 1 1 13 THR CA C 0.157 1.164 2.457 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_2l2w 1
. 12 . 2305 . 1 1 13 THR CB C 0.186 -0.358 2.220 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_2l2w 1
. 12 . 2306 . 1 1 13 THR CG2 C -0.019 -1.109 3.517 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_2l2w 1
. 12 . 2307 . 1 1 13 THR H H -1.920 1.450 2.125 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_2l2w 1
. 12 . 2308 . 1 1 13 THR HA H 0.764 1.363 3.327 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_2l2w 1
. 12 . 2309 . 1 1 13 THR HB H 1.148 -0.636 1.811 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_2l2w 1
. 12 . 2310 . 1 1 13 THR HG21 H 0.921 -1.153 4.048 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_2l2w 1
. 12 . 2311 . 1 1 13 THR HG22 H -0.361 -2.110 3.303 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_2l2w 1
. 12 . 2312 . 1 1 13 THR HG23 H -0.750 -0.594 4.121 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_2l2w 1
. 12 . 2313 . 1 1 13 THR N N -1.188 1.658 2.742 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_2l2w 1
. 12 . 2314 . 1 1 13 THR OG1 O -0.900 -0.772 1.296 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_2l2w 1
. 12 . 2315 . 1 1 14 . C C 3.482 2.152 -1.033 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 C . . . . . . . . . rr_2l2w 1
. 12 . 2316 . 1 1 14 . CA C 2.198 2.381 -0.297 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CA . . . . . . . . . rr_2l2w 1
. 12 . 2317 . 1 1 14 . CB C 1.217 3.386 -0.574 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CB . . . . . . . . . rr_2l2w 1
. 12 . 2318 . 1 1 14 . HB H 1.273 4.126 -1.359 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 HB . . . . . . . . . rr_2l2w 1
. 12 . 2319 . 1 1 14 . N N 1.893 1.580 0.736 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 N . . . . . . . . . rr_2l2w 1
. 12 . 2320 . 1 1 14 . SG S -0.041 3.221 0.536 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 SG . . . . . . . . . rr_2l2w 1
. 12 . 2321 . 1 1 15 . C C 6.657 2.430 0.897 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 C . . . . . . . . . rr_2l2w 1
. 12 . 2322 . 1 1 15 . CA C 5.681 1.977 -0.116 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CA . . . . . . . . . rr_2l2w 1
. 12 . 2323 . 1 1 15 . CB C 6.141 0.952 -1.063 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CB . . . . . . . . . rr_2l2w 1
. 12 . 2324 . 1 1 15 . HB2 H 6.321 0.033 -0.529 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB2 . . . . . . . . . rr_2l2w 1
. 12 . 2325 . 1 1 15 . HB3 H 7.063 1.277 -1.527 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB3 . . . . . . . . . rr_2l2w 1
. 12 . 2326 . 1 1 15 . N N 4.522 2.534 -0.061 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 N . . . . . . . . . rr_2l2w 1
. 12 . 2327 . 1 1 16 . C C 9.925 2.219 2.293 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 C . . . . . . . . . rr_2l2w 1
. 12 . 2328 . 1 1 16 . CA C 8.549 2.551 1.984 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CA . . . . . . . . . rr_2l2w 1
. 12 . 2329 . 1 1 16 . CB C 7.802 3.521 2.727 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CB . . . . . . . . . rr_2l2w 1
. 12 . 2330 . 1 1 16 . HB H 8.169 4.093 3.567 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 HB . . . . . . . . . rr_2l2w 1
. 12 . 2331 . 1 1 16 . N N 7.861 1.973 0.976 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 N . . . . . . . . . rr_2l2w 1
. 12 . 2332 . 1 1 16 . O O 10.578 2.734 3.200 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 O . . . . . . . . . rr_2l2w 1
. 12 . 2333 . 1 1 16 . SG S 6.254 3.623 2.067 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 SG . . . . . . . . . rr_2l2w 1
. 12 . 2334 . 1 1 17 DHA C C 11.924 -0.425 0.608 . . . 1.0 . . . . . . . . . . . . A . 16 DHA C . . . . . . . . . rr_2l2w 1
. 12 . 2335 . 1 1 17 DHA CA C 11.765 0.700 1.517 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CA . . . . . . . . . rr_2l2w 1
. 12 . 2336 . 1 1 17 DHA CB C 12.768 1.120 2.275 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CB . . . . . . . . . rr_2l2w 1
. 12 . 2337 . 1 1 17 DHA H H 9.791 0.923 0.808 . . . 1.0 . . . . . . . . . . . . A . 16 DHA H . . . . . . . . . rr_2l2w 1
. 12 . 2338 . 1 1 17 DHA HB1 H 12.630 1.955 2.944 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB1 . . . . . . . . . rr_2l2w 1
. 12 . 2339 . 1 1 17 DHA HB2 H 13.726 0.626 2.224 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB2 . . . . . . . . . rr_2l2w 1
. 12 . 2340 . 1 1 17 DHA N N 10.408 1.274 1.484 . . . 1.0 . . . . . . . . . . . . A . 16 DHA N . . . . . . . . . rr_2l2w 1
. 12 . 2341 . 1 1 17 DHA O O 10.940 -0.747 -0.055 . . . 1.0 . . . . . . . . . . . . A . 16 DHA O . . . . . . . . . rr_2l2w 1
. 12 . 2342 . 1 1 18 DHA C C 14.749 -2.747 -0.076 . . . 1.0 . . . . . . . . . . . . A . 17 DHA C . . . . . . . . . rr_2l2w 1
. 12 . 2343 . 1 1 18 DHA CA C 13.425 -2.204 -0.327 . . . 1.0 . . . . . . . . . . . . A . 17 DHA CA . . . . . . . . . rr_2l2w 1
. 12 . 2344 . 1 1 18 DHA CB C 12.633 -2.732 -1.251 . . . 1.0 . . . . . . . . . . . . A . 17 DHA CB . . . . . . . . . rr_2l2w 1
. 12 . 2345 . 1 1 18 DHA H H 13.808 -0.728 1.130 . . . 1.0 . . . . . . . . . . . . A . 17 DHA H . . . . . . . . . rr_2l2w 1
. 12 . 2346 . 1 1 18 DHA HB1 H 11.652 -2.320 -1.425 . . . 1.0 . . . . . . . . . . . . A . 17 DHA HB1 . . . . . . . . . rr_2l2w 1
. 12 . 2347 . 1 1 18 DHA HB2 H 12.972 -3.577 -1.830 . . . 1.0 . . . . . . . . . . . . A . 17 DHA HB2 . . . . . . . . . rr_2l2w 1
. 12 . 2348 . 1 1 18 DHA N N 13.099 -1.057 0.540 . . . 1.0 . . . . . . . . . . . . A . 17 DHA N . . . . . . . . . rr_2l2w 1
. 12 . 2349 . 1 1 18 DHA O O 15.426 -2.208 0.801 . . . 1.0 . . . . . . . . . . . . A . 17 DHA O . . . . . . . . . rr_2l2w 1
. 12 . 2350 . 1 1 19 NH2 HN1 H 16.074 -4.148 -0.609 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN1 . . . . . . . . . rr_2l2w 1
. 12 . 2351 . 1 1 19 NH2 HN2 H 14.600 -4.177 -1.468 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN2 . . . . . . . . . rr_2l2w 1
. 12 . 2352 . 1 1 19 NH2 N N 15.180 -3.785 -0.782 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 N . . . . . . . . . rr_2l2w 1
. 13 . 2353 . 1 1 1 QUA C10 C -3.832 -2.492 -2.263 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C10 . . . . . . . . . rr_2l2w 1
. 13 . 2354 . 1 1 1 QUA C11 C -0.534 -1.169 0.055 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C11 . . . . . . . . . rr_2l2w 1
. 13 . 2355 . 1 1 1 QUA C13 C -2.293 -2.976 -4.248 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C13 . . . . . . . . . rr_2l2w 1
. 13 . 2356 . 1 1 1 QUA C14 C -2.219 -4.496 -4.282 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C14 . . . . . . . . . rr_2l2w 1
. 13 . 2357 . 1 1 1 QUA C2 C -1.717 -1.631 -0.739 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C2 . . . . . . . . . rr_2l2w 1
. 13 . 2358 . 1 1 1 QUA C3 C -1.473 -2.061 -2.036 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C3 . . . . . . . . . rr_2l2w 1
. 13 . 2359 . 1 1 1 QUA C4 C -2.543 -2.499 -2.817 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C4 . . . . . . . . . rr_2l2w 1
. 13 . 2360 . 1 1 1 QUA C5 C -5.017 -2.932 -3.013 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C5 . . . . . . . . . rr_2l2w 1
. 13 . 2361 . 1 1 1 QUA C6 C -6.140 -3.204 -2.423 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C6 . . . . . . . . . rr_2l2w 1
. 13 . 2362 . 1 1 1 QUA C7 C -6.312 -3.094 -0.903 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C7 . . . . . . . . . rr_2l2w 1
. 13 . 2363 . 1 1 1 QUA C8 C -5.359 -2.018 -0.306 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C8 . . . . . . . . . rr_2l2w 1
. 13 . 2364 . 1 1 1 QUA C9 C -3.980 -2.047 -0.958 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C9 . . . . . . . . . rr_2l2w 1
. 13 . 2365 . 1 1 1 QUA H13 H -3.106 -2.662 -4.881 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H13 . . . . . . . . . rr_2l2w 1
. 13 . 2366 . 1 1 1 QUA H141 H -2.041 -4.825 -5.295 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H141 . . . . . . . . . rr_2l2w 1
. 13 . 2367 . 1 1 1 QUA H142 H -3.151 -4.910 -3.926 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H142 . . . . . . . . . rr_2l2w 1
. 13 . 2368 . 1 1 1 QUA H143 H -1.411 -4.830 -3.647 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H143 . . . . . . . . . rr_2l2w 1
. 13 . 2369 . 1 1 1 QUA H15 H -0.330 -2.766 -4.259 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H15 . . . . . . . . . rr_2l2w 1
. 13 . 2370 . 1 1 1 QUA H16 H -6.343 -0.662 -1.346 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H16 . . . . . . . . . rr_2l2w 1
. 13 . 2371 . 1 1 1 QUA HC3 H -0.469 -2.054 -2.436 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC3 . . . . . . . . . rr_2l2w 1
. 13 . 2372 . 1 1 1 QUA HC5 H -4.957 -3.028 -4.086 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC5 . . . . . . . . . rr_2l2w 1
. 13 . 2373 . 1 1 1 QUA HC6 H -6.982 -3.522 -3.021 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC6 . . . . . . . . . rr_2l2w 1
. 13 . 2374 . 1 1 1 QUA HC71 H -7.330 -2.822 -0.673 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC71 . . . . . . . . . rr_2l2w 1
. 13 . 2375 . 1 1 1 QUA HC8 H -5.256 -2.212 0.752 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC8 . . . . . . . . . rr_2l2w 1
. 13 . 2376 . 1 1 1 QUA N1 N -2.954 -1.613 -0.173 . . . 1.0 . . . . . . . . . . . . A . 0 QUA N1 . . . . . . . . . rr_2l2w 1
. 13 . 2377 . 1 1 1 QUA O12 O 0.613 -1.168 -0.394 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O12 . . . . . . . . . rr_2l2w 1
. 13 . 2378 . 1 1 1 QUA O15 O -1.072 -2.432 -4.767 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O15 . . . . . . . . . rr_2l2w 1
. 13 . 2379 . 1 1 1 QUA O16 O -5.952 -0.726 -0.471 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O16 . . . . . . . . . rr_2l2w 1
. 13 . 2380 . 1 1 2 ILE C C -5.172 -4.858 1.937 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2l2w 1
. 13 . 2381 . 1 1 2 ILE CA C -6.403 -4.593 1.092 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2l2w 1
. 13 . 2382 . 1 1 2 ILE CB C -7.433 -5.721 1.315 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2l2w 1
. 13 . 2383 . 1 1 2 ILE CD1 C -7.819 -8.221 0.970 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2l2w 1
. 13 . 2384 . 1 1 2 ILE CG1 C -6.983 -7.010 0.615 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2l2w 1
. 13 . 2385 . 1 1 2 ILE CG2 C -8.801 -5.281 0.810 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2l2w 1
. 13 . 2386 . 1 1 2 ILE H H -5.101 -4.677 -0.473 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H . . . . . . . . . rr_2l2w 1
. 13 . 2387 . 1 1 2 ILE HA H -6.838 -3.668 1.420 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2l2w 1
. 13 . 2388 . 1 1 2 ILE HB H -7.511 -5.902 2.377 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2l2w 1
. 13 . 2389 . 1 1 2 ILE HD11 H -8.829 -8.081 0.614 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2l2w 1
. 13 . 2390 . 1 1 2 ILE HD12 H -7.831 -8.350 2.043 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2l2w 1
. 13 . 2391 . 1 1 2 ILE HD13 H -7.395 -9.101 0.507 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2l2w 1
. 13 . 2392 . 1 1 2 ILE HG12 H -7.043 -6.870 -0.454 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2l2w 1
. 13 . 2393 . 1 1 2 ILE HG13 H -5.959 -7.223 0.887 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2l2w 1
. 13 . 2394 . 1 1 2 ILE HG21 H -8.760 -5.141 -0.261 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2l2w 1
. 13 . 2395 . 1 1 2 ILE HG22 H -9.077 -4.351 1.283 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2l2w 1
. 13 . 2396 . 1 1 2 ILE HG23 H -9.534 -6.037 1.046 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2l2w 1
. 13 . 2397 . 1 1 2 ILE N N -6.047 -4.457 -0.350 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2l2w 1
. 13 . 2398 . 1 1 2 ILE O O -5.218 -4.779 3.164 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2l2w 1
. 13 . 2399 . 1 1 3 ALA C C -1.679 -5.621 0.965 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2l2w 1
. 13 . 2400 . 1 1 3 ALA CA C -2.834 -5.517 1.952 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2l2w 1
. 13 . 2401 . 1 1 3 ALA CB C -3.025 -6.822 2.702 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2l2w 1
. 13 . 2402 . 1 1 3 ALA H H -4.082 -5.152 0.289 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2l2w 1
. 13 . 2403 . 1 1 3 ALA HA H -2.615 -4.741 2.672 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2l2w 1
. 13 . 2404 . 1 1 3 ALA HB1 H -3.173 -7.623 1.995 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2l2w 1
. 13 . 2405 . 1 1 3 ALA HB2 H -3.897 -6.741 3.338 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2l2w 1
. 13 . 2406 . 1 1 3 ALA HB3 H -2.155 -7.025 3.306 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2l2w 1
. 13 . 2407 . 1 1 3 ALA N N -4.067 -5.164 1.269 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2l2w 1
. 13 . 2408 . 1 1 3 ALA O O -1.740 -6.391 0.007 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2l2w 1
. 13 . 2409 . 1 1 4 DHA C C 1.524 -3.745 0.928 . . . 1.0 . . . . . . . . . . . . A . 3 DHA C . . . . . . . . . rr_2l2w 1
. 13 . 2410 . 1 1 4 DHA CA C 0.532 -4.622 0.338 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CA . . . . . . . . . rr_2l2w 1
. 13 . 2411 . 1 1 4 DHA CB C 0.697 -5.124 -0.878 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CB . . . . . . . . . rr_2l2w 1
. 13 . 2412 . 1 1 4 DHA H H -0.624 -4.375 2.080 . . . 1.0 . . . . . . . . . . . . A . 3 DHA H . . . . . . . . . rr_2l2w 1
. 13 . 2413 . 1 1 4 DHA HB1 H -0.057 -5.761 -1.312 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB1 . . . . . . . . . rr_2l2w 1
. 13 . 2414 . 1 1 4 DHA HB2 H 1.586 -4.885 -1.443 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB2 . . . . . . . . . rr_2l2w 1
. 13 . 2415 . 1 1 4 DHA N N -0.626 -4.841 1.218 . . . 1.0 . . . . . . . . . . . . A . 3 DHA N . . . . . . . . . rr_2l2w 1
. 13 . 2416 . 1 1 4 DHA O O 1.294 -3.312 2.055 . . . 1.0 . . . . . . . . . . . . A . 3 DHA O . . . . . . . . . rr_2l2w 1
. 13 . 2417 . 1 1 5 ALA C C 3.936 -1.521 -0.473 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_2l2w 1
. 13 . 2418 . 1 1 5 ALA CA C 3.540 -2.408 0.697 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_2l2w 1
. 13 . 2419 . 1 1 5 ALA CB C 4.763 -3.040 1.339 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_2l2w 1
. 13 . 2420 . 1 1 5 ALA H H 2.810 -3.920 -0.586 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_2l2w 1
. 13 . 2421 . 1 1 5 ALA HA H 3.037 -1.806 1.440 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_2l2w 1
. 13 . 2422 . 1 1 5 ALA HB1 H 5.404 -2.266 1.734 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . rr_2l2w 1
. 13 . 2423 . 1 1 5 ALA HB2 H 5.303 -3.614 0.600 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_2l2w 1
. 13 . 2424 . 1 1 5 ALA HB3 H 4.449 -3.692 2.142 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_2l2w 1
. 13 . 2425 . 1 1 5 ALA N N 2.616 -3.440 0.245 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_2l2w 1
. 13 . 2426 . 1 1 5 ALA O O 4.545 -1.995 -1.432 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_2l2w 1
. 13 . 2427 . 1 1 6 SER C C 2.671 0.347 -2.581 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2l2w 1
. 13 . 2428 . 1 1 6 SER CA C 3.691 0.681 -1.595 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2l2w 1
. 13 . 2429 . 1 1 6 SER CB C 5.130 0.672 -2.191 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2l2w 1
. 13 . 2430 . 1 1 6 SER H H 3.212 0.106 0.458 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2l2w 1
. 13 . 2431 . 1 1 6 SER HB2 H 5.340 -0.290 -2.630 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2l2w 1
. 13 . 2432 . 1 1 6 SER HB3 H 5.211 1.436 -2.950 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2l2w 1
. 13 . 2433 . 1 1 6 SER N N 3.574 -0.235 -0.394 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2l2w 1
. 13 . 2434 . 1 1 7 . C C -0.611 0.688 -3.955 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 C . . . . . . . . . rr_2l2w 1
. 13 . 2435 . 1 1 7 . CA C 0.760 0.310 -3.671 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CA . . . . . . . . . rr_2l2w 1
. 13 . 2436 . 1 1 7 . CB C 1.474 -0.648 -4.453 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CB . . . . . . . . . rr_2l2w 1
. 13 . 2437 . 1 1 7 . HB H 1.087 -1.179 -5.311 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 HB . . . . . . . . . rr_2l2w 1
. 13 . 2438 . 1 1 7 . N N 1.470 0.828 -2.648 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 N . . . . . . . . . rr_2l2w 1
. 13 . 2439 . 1 1 7 . O O -1.279 0.244 -4.889 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 O . . . . . . . . . rr_2l2w 1
. 13 . 2440 . 1 1 7 . SG S 3.021 -0.813 -3.808 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 SG . . . . . . . . . rr_2l2w 1
. 13 . 2441 . 1 1 8 THR C C -2.534 3.565 -2.921 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2l2w 1
. 13 . 2442 . 1 1 8 THR CA C -2.465 2.058 -3.153 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2l2w 1
. 13 . 2443 . 1 1 8 THR CB C -3.371 1.345 -2.128 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2l2w 1
. 13 . 2444 . 1 1 8 THR CG2 C -2.880 1.571 -0.702 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2l2w 1
. 13 . 2445 . 1 1 8 THR H H -0.502 1.906 -2.371 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2l2w 1
. 13 . 2446 . 1 1 8 THR HA H -2.841 1.843 -4.143 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2l2w 1
. 13 . 2447 . 1 1 8 THR HB H -3.353 0.285 -2.333 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2l2w 1
. 13 . 2448 . 1 1 8 THR HG1 H -4.776 2.708 -1.890 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2l2w 1
. 13 . 2449 . 1 1 8 THR HG21 H -3.060 2.597 -0.418 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2l2w 1
. 13 . 2450 . 1 1 8 THR HG22 H -1.821 1.363 -0.650 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2l2w 1
. 13 . 2451 . 1 1 8 THR HG23 H -3.410 0.913 -0.031 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2l2w 1
. 13 . 2452 . 1 1 8 THR N N -1.089 1.572 -3.082 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2l2w 1
. 13 . 2453 . 1 1 8 THR O O -1.553 4.188 -2.513 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2l2w 1
. 13 . 2454 . 1 1 8 THR OG1 O -4.717 1.819 -2.248 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2l2w 1
. 13 . 2455 . 1 1 9 DBU C C -4.947 5.887 -1.914 . . . 1.0 . . . . . . . . . . . . A . 8 DBU C . . . . . . . . . rr_2l2w 1
. 13 . 2456 . 1 1 9 DBU CA C -4.005 5.568 -3.013 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CA . . . . . . . . . rr_2l2w 1
. 13 . 2457 . 1 1 9 DBU CB C -3.501 6.541 -3.768 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CB . . . . . . . . . rr_2l2w 1
. 13 . 2458 . 1 1 9 DBU CG C -2.526 6.283 -4.926 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CG . . . . . . . . . rr_2l2w 1
. 13 . 2459 . 1 1 9 DBU HG1 H -2.984 5.618 -5.642 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG1 . . . . . . . . . rr_2l2w 1
. 13 . 2460 . 1 1 9 DBU HG2 H -1.622 5.833 -4.544 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG2 . . . . . . . . . rr_2l2w 1
. 13 . 2461 . 1 1 9 DBU HG3 H -2.284 7.220 -5.408 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG3 . . . . . . . . . rr_2l2w 1
. 13 . 2462 . 1 1 9 DBU N N -3.703 4.143 -3.184 . . . 1.0 . . . . . . . . . . . . A . 8 DBU N . . . . . . . . . rr_2l2w 1
. 13 . 2463 . 1 1 10 . C C -6.285 4.889 1.238 . . . 1.0 . . . . . . . . . . . . A . 9 DCY C . . . . . . . . . rr_2l2w 1
. 13 . 2464 . 1 1 10 . CA C -6.354 5.557 -0.122 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CA . . . . . . . . . rr_2l2w 1
. 13 . 2465 . 1 1 10 . CB C -6.031 7.045 0.004 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CB . . . . . . . . . rr_2l2w 1
. 13 . 2466 . 1 1 10 . HA H -7.362 5.466 -0.494 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HA . . . . . . . . . rr_2l2w 1
. 13 . 2467 . 1 1 10 . HB2 H -6.920 7.598 0.287 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB2 . . . . . . . . . rr_2l2w 1
. 13 . 2468 . 1 1 10 . HB3 H -5.238 7.204 0.713 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB3 . . . . . . . . . rr_2l2w 1
. 13 . 2469 . 1 1 10 . N N -5.438 4.977 -1.115 . . . 1.0 . . . . . . . . . . . . A . 9 DCY N . . . . . . . . . rr_2l2w 1
. 13 . 2470 . 1 1 10 . O O -6.359 5.598 2.242 . . . 1.0 . . . . . . . . . . . . A . 9 DCY O . . . . . . . . . rr_2l2w 1
. 13 . 2471 . 1 1 10 . SG S -5.468 7.514 -1.636 . . . 1.0 . . . . . . . . . . . . A . 9 DCY SG . . . . . . . . . rr_2l2w 1
. 13 . 2472 . 1 1 11 . C C -4.937 2.989 3.347 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 C . . . . . . . . . rr_2l2w 1
. 13 . 2473 . 1 1 11 . CA C -6.238 2.843 2.555 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CA . . . . . . . . . rr_2l2w 1
. 13 . 2474 . 1 1 11 . CB C -6.595 1.333 2.324 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CB . . . . . . . . . rr_2l2w 1
. 13 . 2475 . 1 1 11 . CD1 C -8.455 -0.085 1.150 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CD1 . . . . . . . . . rr_2l2w 1
. 13 . 2476 . 1 1 11 . CG1 C -7.818 1.285 1.341 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG1 . . . . . . . . . rr_2l2w 1
. 13 . 2477 . 1 1 11 . CG2 C -6.927 0.663 3.620 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG2 . . . . . . . . . rr_2l2w 1
. 13 . 2478 . 1 1 11 . H H -5.977 3.067 0.462 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 H . . . . . . . . . rr_2l2w 1
. 13 . 2479 . 1 1 11 . HA H -7.037 3.300 3.122 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HA . . . . . . . . . rr_2l2w 1
. 13 . 2480 . 1 1 11 . HD11 H -7.684 -0.837 1.090 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD11 . . . . . . . . . rr_2l2w 1
. 13 . 2481 . 1 1 11 . HD12 H -9.032 -0.088 0.236 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD12 . . . . . . . . . rr_2l2w 1
. 13 . 2482 . 1 1 11 . HD13 H -9.105 -0.300 1.985 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD13 . . . . . . . . . rr_2l2w 1
. 13 . 2483 . 1 1 11 . HD2 H -9.403 1.692 2.443 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD2 . . . . . . . . . rr_2l2w 1
. 13 . 2484 . 1 1 11 . HG1 H -7.512 1.652 0.373 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG1 . . . . . . . . . rr_2l2w 1
. 13 . 2485 . 1 1 11 . HG21 H -7.081 -0.393 3.452 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG21 . . . . . . . . . rr_2l2w 1
. 13 . 2486 . 1 1 11 . HG22 H -7.827 1.096 4.030 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG22 . . . . . . . . . rr_2l2w 1
. 13 . 2487 . 1 1 11 . HG23 H -6.113 0.797 4.317 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG23 . . . . . . . . . rr_2l2w 1
. 13 . 2488 . 1 1 11 . HG3 H -5.067 1.281 1.102 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG3 . . . . . . . . . rr_2l2w 1
. 13 . 2489 . 1 1 11 . N N -6.146 3.565 1.289 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 N . . . . . . . . . rr_2l2w 1
. 13 . 2490 . 1 1 11 . OD2 O -8.798 2.181 1.882 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OD2 . . . . . . . . . rr_2l2w 1
. 13 . 2491 . 1 1 11 . OG3 O -5.491 0.683 1.720 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OG3 . . . . . . . . . rr_2l2w 1
. 13 . 2492 . 1 1 12 . C C -1.442 2.382 3.805 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 C . . . . . . . . . rr_2l2w 1
. 13 . 2493 . 1 1 12 . CA C -2.828 2.797 3.917 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CA . . . . . . . . . rr_2l2w 1
. 13 . 2494 . 1 1 12 . CB C -3.291 3.569 5.025 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CB . . . . . . . . . rr_2l2w 1
. 13 . 2495 . 1 1 12 . HB H -2.686 3.907 5.852 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 HB . . . . . . . . . rr_2l2w 1
. 13 . 2496 . 1 1 12 . N N -3.786 2.497 3.007 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 N . . . . . . . . . rr_2l2w 1
. 13 . 2497 . 1 1 12 . O O -0.573 2.659 4.633 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 O . . . . . . . . . rr_2l2w 1
. 13 . 2498 . 1 1 12 . SG S -4.935 3.864 4.827 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 SG . . . . . . . . . rr_2l2w 1
. 13 . 2499 . 1 1 13 THR C C 0.780 1.897 1.255 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_2l2w 1
. 13 . 2500 . 1 1 13 THR CA C 0.166 1.172 2.440 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_2l2w 1
. 13 . 2501 . 1 1 13 THR CB C 0.201 -0.349 2.203 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_2l2w 1
. 13 . 2502 . 1 1 13 THR CG2 C -0.005 -1.102 3.497 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_2l2w 1
. 13 . 2503 . 1 1 13 THR H H -1.909 1.455 2.088 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_2l2w 1
. 13 . 2504 . 1 1 13 THR HA H 0.766 1.374 3.314 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_2l2w 1
. 13 . 2505 . 1 1 13 THR HB H 1.164 -0.623 1.796 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_2l2w 1
. 13 . 2506 . 1 1 13 THR HG21 H -0.729 -0.583 4.106 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_2l2w 1
. 13 . 2507 . 1 1 13 THR HG22 H 0.937 -1.158 4.022 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_2l2w 1
. 13 . 2508 . 1 1 13 THR HG23 H -0.358 -2.098 3.281 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_2l2w 1
. 13 . 2509 . 1 1 13 THR N N -1.185 1.661 2.715 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_2l2w 1
. 13 . 2510 . 1 1 13 THR OG1 O -0.882 -0.763 1.276 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_2l2w 1
. 13 . 2511 . 1 1 14 . C C 3.504 2.143 -1.043 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 C . . . . . . . . . rr_2l2w 1
. 13 . 2512 . 1 1 14 . CA C 2.218 2.380 -0.311 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CA . . . . . . . . . rr_2l2w 1
. 13 . 2513 . 1 1 14 . CB C 1.244 3.391 -0.588 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CB . . . . . . . . . rr_2l2w 1
. 13 . 2514 . 1 1 14 . HB H 1.304 4.130 -1.373 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 HB . . . . . . . . . rr_2l2w 1
. 13 . 2515 . 1 1 14 . N N 1.906 1.581 0.723 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 N . . . . . . . . . rr_2l2w 1
. 13 . 2516 . 1 1 14 . SG S -0.017 3.232 0.521 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 SG . . . . . . . . . rr_2l2w 1
. 13 . 2517 . 1 1 15 . C C 6.674 2.397 0.891 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 C . . . . . . . . . rr_2l2w 1
. 13 . 2518 . 1 1 15 . CA C 5.703 1.957 -0.133 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CA . . . . . . . . . rr_2l2w 1
. 13 . 2519 . 1 1 15 . CB C 6.165 0.950 -1.102 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CB . . . . . . . . . rr_2l2w 1
. 13 . 2520 . 1 1 15 . HB2 H 6.369 0.028 -0.580 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB2 . . . . . . . . . rr_2l2w 1
. 13 . 2521 . 1 1 15 . HB3 H 7.073 1.295 -1.576 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB3 . . . . . . . . . rr_2l2w 1
. 13 . 2522 . 1 1 15 . N N 4.542 2.508 -0.067 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 N . . . . . . . . . rr_2l2w 1
. 13 . 2523 . 1 1 16 . C C 9.943 2.228 2.302 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 C . . . . . . . . . rr_2l2w 1
. 13 . 2524 . 1 1 16 . CA C 8.560 2.531 1.990 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CA . . . . . . . . . rr_2l2w 1
. 13 . 2525 . 1 1 16 . CB C 7.789 3.463 2.753 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CB . . . . . . . . . rr_2l2w 1
. 13 . 2526 . 1 1 16 . HB H 8.140 4.020 3.610 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 HB . . . . . . . . . rr_2l2w 1
. 13 . 2527 . 1 1 16 . N N 7.890 1.964 0.961 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 N . . . . . . . . . rr_2l2w 1
. 13 . 2528 . 1 1 16 . O O 10.568 2.731 3.235 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 O . . . . . . . . . rr_2l2w 1
. 13 . 2529 . 1 1 16 . SG S 6.242 3.549 2.091 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 SG . . . . . . . . . rr_2l2w 1
. 13 . 2530 . 1 1 17 DHA C C 12.078 -0.263 0.546 . . . 1.0 . . . . . . . . . . . . A . 16 DHA C . . . . . . . . . rr_2l2w 1
. 13 . 2531 . 1 1 17 DHA CA C 11.847 0.803 1.508 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CA . . . . . . . . . rr_2l2w 1
. 13 . 2532 . 1 1 17 DHA CB C 12.813 1.213 2.319 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CB . . . . . . . . . rr_2l2w 1
. 13 . 2533 . 1 1 17 DHA H H 9.882 0.992 0.760 . . . 1.0 . . . . . . . . . . . . A . 16 DHA H . . . . . . . . . rr_2l2w 1
. 13 . 2534 . 1 1 17 DHA HB1 H 12.628 2.003 3.029 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB1 . . . . . . . . . rr_2l2w 1
. 13 . 2535 . 1 1 17 DHA HB2 H 13.789 0.754 2.271 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB2 . . . . . . . . . rr_2l2w 1
. 13 . 2536 . 1 1 17 DHA N N 10.472 1.333 1.464 . . . 1.0 . . . . . . . . . . . . A . 16 DHA N . . . . . . . . . rr_2l2w 1
. 13 . 2537 . 1 1 17 DHA O O 11.131 -0.583 -0.171 . . . 1.0 . . . . . . . . . . . . A . 16 DHA O . . . . . . . . . rr_2l2w 1
. 13 . 2538 . 1 1 18 DHA C C 14.976 -2.503 -0.079 . . . 1.0 . . . . . . . . . . . . A . 17 DHA C . . . . . . . . . rr_2l2w 1
. 13 . 2539 . 1 1 18 DHA CA C 13.678 -1.942 -0.410 . . . 1.0 . . . . . . . . . . . . A . 17 DHA CA . . . . . . . . . rr_2l2w 1
. 13 . 2540 . 1 1 18 DHA CB C 12.969 -2.409 -1.428 . . . 1.0 . . . . . . . . . . . . A . 17 DHA CB . . . . . . . . . rr_2l2w 1
. 13 . 2541 . 1 1 18 DHA H H 13.950 -0.523 1.124 . . . 1.0 . . . . . . . . . . . . A . 17 DHA H . . . . . . . . . rr_2l2w 1
. 13 . 2542 . 1 1 18 DHA HB1 H 12.006 -1.983 -1.660 . . . 1.0 . . . . . . . . . . . . A . 17 DHA HB1 . . . . . . . . . rr_2l2w 1
. 13 . 2543 . 1 1 18 DHA HB2 H 13.357 -3.220 -2.026 . . . 1.0 . . . . . . . . . . . . A . 17 DHA HB2 . . . . . . . . . rr_2l2w 1
. 13 . 2544 . 1 1 18 DHA N N 13.277 -0.847 0.492 . . . 1.0 . . . . . . . . . . . . A . 17 DHA N . . . . . . . . . rr_2l2w 1
. 13 . 2545 . 1 1 18 DHA O O 15.576 -2.019 0.882 . . . 1.0 . . . . . . . . . . . . A . 17 DHA O . . . . . . . . . rr_2l2w 1
. 13 . 2546 . 1 1 19 NH2 HN1 H 16.342 -3.878 -0.575 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN1 . . . . . . . . . rr_2l2w 1
. 13 . 2547 . 1 1 19 NH2 HN2 H 14.947 -3.850 -1.557 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN2 . . . . . . . . . rr_2l2w 1
. 13 . 2548 . 1 1 19 NH2 N N 15.467 -3.501 -0.805 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 N . . . . . . . . . rr_2l2w 1
. 14 . 2549 . 1 1 1 QUA C10 C -3.918 -2.489 -2.262 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C10 . . . . . . . . . rr_2l2w 1
. 14 . 2550 . 1 1 1 QUA C11 C -0.582 -1.194 0.015 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C11 . . . . . . . . . rr_2l2w 1
. 14 . 2551 . 1 1 1 QUA C13 C -2.412 -2.989 -4.266 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C13 . . . . . . . . . rr_2l2w 1
. 14 . 2552 . 1 1 1 QUA C14 C -2.356 -4.509 -4.302 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C14 . . . . . . . . . rr_2l2w 1
. 14 . 2553 . 1 1 1 QUA C2 C -1.777 -1.647 -0.766 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C2 . . . . . . . . . rr_2l2w 1
. 14 . 2554 . 1 1 1 QUA C3 C -1.554 -2.080 -2.067 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C3 . . . . . . . . . rr_2l2w 1
. 14 . 2555 . 1 1 1 QUA C4 C -2.637 -2.508 -2.834 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C4 . . . . . . . . . rr_2l2w 1
. 14 . 2556 . 1 1 1 QUA C5 C -5.119 -2.919 -2.995 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C5 . . . . . . . . . rr_2l2w 1
. 14 . 2557 . 1 1 1 QUA C6 C -6.231 -3.192 -2.383 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C6 . . . . . . . . . rr_2l2w 1
. 14 . 2558 . 1 1 1 QUA C7 C -6.367 -3.092 -0.861 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C7 . . . . . . . . . rr_2l2w 1
. 14 . 2559 . 1 1 1 QUA C8 C -5.415 -2.003 -0.288 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C8 . . . . . . . . . rr_2l2w 1
. 14 . 2560 . 1 1 1 QUA C9 C -4.045 -2.043 -0.956 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C9 . . . . . . . . . rr_2l2w 1
. 14 . 2561 . 1 1 1 QUA H13 H -3.230 -2.665 -4.889 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H13 . . . . . . . . . rr_2l2w 1
. 14 . 2562 . 1 1 1 QUA H141 H -2.178 -4.840 -5.314 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H141 . . . . . . . . . rr_2l2w 1
. 14 . 2563 . 1 1 1 QUA H142 H -3.296 -4.913 -3.952 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H142 . . . . . . . . . rr_2l2w 1
. 14 . 2564 . 1 1 1 QUA H143 H -1.556 -4.855 -3.664 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H143 . . . . . . . . . rr_2l2w 1
. 14 . 2565 . 1 1 1 QUA H15 H -1.392 -1.883 -5.545 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H15 . . . . . . . . . rr_2l2w 1
. 14 . 2566 . 1 1 1 QUA H16 H -5.374 -0.031 -0.259 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H16 . . . . . . . . . rr_2l2w 1
. 14 . 2567 . 1 1 1 QUA HC3 H -0.555 -2.082 -2.479 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC3 . . . . . . . . . rr_2l2w 1
. 14 . 2568 . 1 1 1 QUA HC5 H -5.079 -3.006 -4.069 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC5 . . . . . . . . . rr_2l2w 1
. 14 . 2569 . 1 1 1 QUA HC6 H -7.087 -3.501 -2.966 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC6 . . . . . . . . . rr_2l2w 1
. 14 . 2570 . 1 1 1 QUA HC71 H -7.383 -2.837 -0.604 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC71 . . . . . . . . . rr_2l2w 1
. 14 . 2571 . 1 1 1 QUA HC8 H -5.301 -2.179 0.772 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC8 . . . . . . . . . rr_2l2w 1
. 14 . 2572 . 1 1 1 QUA N1 N -3.007 -1.619 -0.185 . . . 1.0 . . . . . . . . . . . . A . 0 QUA N1 . . . . . . . . . rr_2l2w 1
. 14 . 2573 . 1 1 1 QUA O12 O 0.561 -1.204 -0.444 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O12 . . . . . . . . . rr_2l2w 1
. 14 . 2574 . 1 1 1 QUA O15 O -1.193 -2.459 -4.802 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O15 . . . . . . . . . rr_2l2w 1
. 14 . 2575 . 1 1 1 QUA O16 O -6.013 -0.714 -0.470 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O16 . . . . . . . . . rr_2l2w 1
. 14 . 2576 . 1 1 2 ILE C C -5.127 -4.784 1.953 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2l2w 1
. 14 . 2577 . 1 1 2 ILE CA C -6.387 -4.607 1.126 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2l2w 1
. 14 . 2578 . 1 1 2 ILE CB C -7.324 -5.809 1.370 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2l2w 1
. 14 . 2579 . 1 1 2 ILE CD1 C -7.498 -8.331 1.021 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2l2w 1
. 14 . 2580 . 1 1 2 ILE CG1 C -6.832 -7.039 0.599 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2l2w 1
. 14 . 2581 . 1 1 2 ILE CG2 C -8.749 -5.456 0.966 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2l2w 1
. 14 . 2582 . 1 1 2 ILE H H -5.115 -4.651 -0.465 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H . . . . . . . . . rr_2l2w 1
. 14 . 2583 . 1 1 2 ILE HA H -6.885 -3.716 1.459 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2l2w 1
. 14 . 2584 . 1 1 2 ILE HB H -7.321 -6.031 2.427 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2l2w 1
. 14 . 2585 . 1 1 2 ILE HD11 H -7.076 -9.153 0.462 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2l2w 1
. 14 . 2586 . 1 1 2 ILE HD12 H -8.559 -8.271 0.825 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2l2w 1
. 14 . 2587 . 1 1 2 ILE HD13 H -7.335 -8.491 2.076 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2l2w 1
. 14 . 2588 . 1 1 2 ILE HG12 H -7.026 -6.897 -0.453 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2l2w 1
. 14 . 2589 . 1 1 2 ILE HG13 H -5.768 -7.151 0.751 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2l2w 1
. 14 . 2590 . 1 1 2 ILE HG21 H -9.058 -4.560 1.484 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2l2w 1
. 14 . 2591 . 1 1 2 ILE HG22 H -9.411 -6.268 1.229 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2l2w 1
. 14 . 2592 . 1 1 2 ILE HG23 H -8.790 -5.288 -0.099 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2l2w 1
. 14 . 2593 . 1 1 2 ILE N N -6.063 -4.452 -0.323 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2l2w 1
. 14 . 2594 . 1 1 2 ILE O O -5.140 -4.598 3.170 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2l2w 1
. 14 . 2595 . 1 1 3 ALA C C -1.638 -5.557 0.973 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2l2w 1
. 14 . 2596 . 1 1 3 ALA CA C -2.787 -5.429 1.968 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2l2w 1
. 14 . 2597 . 1 1 3 ALA CB C -2.934 -6.695 2.792 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2l2w 1
. 14 . 2598 . 1 1 3 ALA H H -4.077 -5.212 0.307 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2l2w 1
. 14 . 2599 . 1 1 3 ALA HA H -2.578 -4.610 2.641 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2l2w 1
. 14 . 2600 . 1 1 3 ALA HB1 H -2.092 -6.792 3.459 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2l2w 1
. 14 . 2601 . 1 1 3 ALA HB2 H -2.978 -7.548 2.134 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2l2w 1
. 14 . 2602 . 1 1 3 ALA HB3 H -3.847 -6.636 3.368 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2l2w 1
. 14 . 2603 . 1 1 3 ALA N N -4.038 -5.142 1.285 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2l2w 1
. 14 . 2604 . 1 1 3 ALA O O -1.710 -6.341 0.027 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2l2w 1
. 14 . 2605 . 1 1 4 DHA C C 1.581 -3.714 0.907 . . . 1.0 . . . . . . . . . . . . A . 3 DHA C . . . . . . . . . rr_2l2w 1
. 14 . 2606 . 1 1 4 DHA CA C 0.581 -4.589 0.328 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CA . . . . . . . . . rr_2l2w 1
. 14 . 2607 . 1 1 4 DHA CB C 0.742 -5.115 -0.878 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CB . . . . . . . . . rr_2l2w 1
. 14 . 2608 . 1 1 4 DHA H H -0.570 -4.302 2.065 . . . 1.0 . . . . . . . . . . . . A . 3 DHA H . . . . . . . . . rr_2l2w 1
. 14 . 2609 . 1 1 4 DHA HB1 H -0.017 -5.752 -1.300 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB1 . . . . . . . . . rr_2l2w 1
. 14 . 2610 . 1 1 4 DHA HB2 H 1.634 -4.894 -1.446 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB2 . . . . . . . . . rr_2l2w 1
. 14 . 2611 . 1 1 4 DHA N N -0.578 -4.783 1.212 . . . 1.0 . . . . . . . . . . . . A . 3 DHA N . . . . . . . . . rr_2l2w 1
. 14 . 2612 . 1 1 4 DHA O O 1.354 -3.265 2.028 . . . 1.0 . . . . . . . . . . . . A . 3 DHA O . . . . . . . . . rr_2l2w 1
. 14 . 2613 . 1 1 5 ALA C C 4.001 -1.504 -0.490 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_2l2w 1
. 14 . 2614 . 1 1 5 ALA CA C 3.616 -2.409 0.672 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_2l2w 1
. 14 . 2615 . 1 1 5 ALA CB C 4.842 -3.067 1.281 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_2l2w 1
. 14 . 2616 . 1 1 5 ALA H H 2.857 -3.905 -0.615 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_2l2w 1
. 14 . 2617 . 1 1 5 ALA HA H 3.133 -1.816 1.434 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_2l2w 1
. 14 . 2618 . 1 1 5 ALA HB1 H 4.535 -3.713 2.091 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . rr_2l2w 1
. 14 . 2619 . 1 1 5 ALA HB2 H 5.509 -2.306 1.660 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_2l2w 1
. 14 . 2620 . 1 1 5 ALA HB3 H 5.350 -3.650 0.528 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_2l2w 1
. 14 . 2621 . 1 1 5 ALA N N 2.674 -3.423 0.220 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_2l2w 1
. 14 . 2622 . 1 1 5 ALA O O 4.631 -1.957 -1.444 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_2l2w 1
. 14 . 2623 . 1 1 6 SER C C 2.697 0.349 -2.589 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2l2w 1
. 14 . 2624 . 1 1 6 SER CA C 3.709 0.699 -1.601 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2l2w 1
. 14 . 2625 . 1 1 6 SER CB C 5.149 0.716 -2.194 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2l2w 1
. 14 . 2626 . 1 1 6 SER H H 3.223 0.099 0.445 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2l2w 1
. 14 . 2627 . 1 1 6 SER HB2 H 5.374 -0.238 -2.643 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2l2w 1
. 14 . 2628 . 1 1 6 SER HB3 H 5.221 1.491 -2.942 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2l2w 1
. 14 . 2629 . 1 1 6 SER N N 3.605 -0.227 -0.405 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2l2w 1
. 14 . 2630 . 1 1 7 . C C -0.583 0.647 -3.974 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 C . . . . . . . . . rr_2l2w 1
. 14 . 2631 . 1 1 7 . CA C 0.791 0.286 -3.686 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CA . . . . . . . . . rr_2l2w 1
. 14 . 2632 . 1 1 7 . CB C 1.519 -0.665 -4.462 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CB . . . . . . . . . rr_2l2w 1
. 14 . 2633 . 1 1 7 . HB H 1.141 -1.201 -5.320 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 HB . . . . . . . . . rr_2l2w 1
. 14 . 2634 . 1 1 7 . N N 1.491 0.816 -2.661 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 N . . . . . . . . . rr_2l2w 1
. 14 . 2635 . 1 1 7 . O O -1.243 0.199 -4.911 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 O . . . . . . . . . rr_2l2w 1
. 14 . 2636 . 1 1 7 . SG S 3.066 -0.808 -3.812 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 SG . . . . . . . . . rr_2l2w 1
. 14 . 2637 . 1 1 8 THR C C -2.497 3.523 -2.951 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2l2w 1
. 14 . 2638 . 1 1 8 THR CA C -2.443 2.017 -3.184 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2l2w 1
. 14 . 2639 . 1 1 8 THR CB C -3.365 1.313 -2.165 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2l2w 1
. 14 . 2640 . 1 1 8 THR CG2 C -2.889 1.547 -0.737 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2l2w 1
. 14 . 2641 . 1 1 8 THR H H -0.498 1.840 -2.369 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2l2w 1
. 14 . 2642 . 1 1 8 THR HA H -2.813 1.803 -4.177 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2l2w 1
. 14 . 2643 . 1 1 8 THR HB H -3.345 0.252 -2.365 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2l2w 1
. 14 . 2644 . 1 1 8 THR HG1 H -5.262 1.390 -1.630 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2l2w 1
. 14 . 2645 . 1 1 8 THR HG21 H -3.435 0.899 -0.066 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2l2w 1
. 14 . 2646 . 1 1 8 THR HG22 H -3.066 2.577 -0.462 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2l2w 1
. 14 . 2647 . 1 1 8 THR HG23 H -1.834 1.331 -0.668 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2l2w 1
. 14 . 2648 . 1 1 8 THR N N -1.074 1.521 -3.096 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2l2w 1
. 14 . 2649 . 1 1 8 THR O O -1.496 4.142 -2.586 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2l2w 1
. 14 . 2650 . 1 1 8 THR OG1 O -4.709 1.788 -2.307 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2l2w 1
. 14 . 2651 . 1 1 9 DBU C C -4.898 5.872 -1.905 . . . 1.0 . . . . . . . . . . . . A . 8 DBU C . . . . . . . . . rr_2l2w 1
. 14 . 2652 . 1 1 9 DBU CA C -3.951 5.538 -2.995 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CA . . . . . . . . . rr_2l2w 1
. 14 . 2653 . 1 1 9 DBU CB C -3.419 6.501 -3.744 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CB . . . . . . . . . rr_2l2w 1
. 14 . 2654 . 1 1 9 DBU CG C -2.434 6.227 -4.891 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CG . . . . . . . . . rr_2l2w 1
. 14 . 2655 . 1 1 9 DBU HG1 H -1.549 5.750 -4.497 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG1 . . . . . . . . . rr_2l2w 1
. 14 . 2656 . 1 1 9 DBU HG2 H -2.160 7.158 -5.362 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG2 . . . . . . . . . rr_2l2w 1
. 14 . 2657 . 1 1 9 DBU HG3 H -2.899 5.578 -5.619 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG3 . . . . . . . . . rr_2l2w 1
. 14 . 2658 . 1 1 9 DBU N N -3.672 4.108 -3.163 . . . 1.0 . . . . . . . . . . . . A . 8 DBU N . . . . . . . . . rr_2l2w 1
. 14 . 2659 . 1 1 10 . C C -6.264 4.918 1.253 . . . 1.0 . . . . . . . . . . . . A . 9 DCY C . . . . . . . . . rr_2l2w 1
. 14 . 2660 . 1 1 10 . CA C -6.317 5.569 -0.117 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CA . . . . . . . . . rr_2l2w 1
. 14 . 2661 . 1 1 10 . CB C -5.990 7.057 -0.010 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CB . . . . . . . . . rr_2l2w 1
. 14 . 2662 . 1 1 10 . HA H -7.323 5.477 -0.496 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HA . . . . . . . . . rr_2l2w 1
. 14 . 2663 . 1 1 10 . HB2 H -6.879 7.618 0.263 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB2 . . . . . . . . . rr_2l2w 1
. 14 . 2664 . 1 1 10 . HB3 H -5.199 7.224 0.701 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB3 . . . . . . . . . rr_2l2w 1
. 14 . 2665 . 1 1 10 . N N -5.396 4.973 -1.097 . . . 1.0 . . . . . . . . . . . . A . 9 DCY N . . . . . . . . . rr_2l2w 1
. 14 . 2666 . 1 1 10 . O O -6.357 5.641 2.245 . . . 1.0 . . . . . . . . . . . . A . 9 DCY O . . . . . . . . . rr_2l2w 1
. 14 . 2667 . 1 1 10 . SG S -5.418 7.505 -1.652 . . . 1.0 . . . . . . . . . . . . A . 9 DCY SG . . . . . . . . . rr_2l2w 1
. 14 . 2668 . 1 1 11 . C C -4.913 3.005 3.386 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 C . . . . . . . . . rr_2l2w 1
. 14 . 2669 . 1 1 11 . CA C -6.224 2.891 2.603 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CA . . . . . . . . . rr_2l2w 1
. 14 . 2670 . 1 1 11 . CB C -6.635 1.392 2.387 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CB . . . . . . . . . rr_2l2w 1
. 14 . 2671 . 1 1 11 . CD1 C -8.558 0.022 1.256 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CD1 . . . . . . . . . rr_2l2w 1
. 14 . 2672 . 1 1 11 . CG1 C -7.927 1.388 1.497 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG1 . . . . . . . . . rr_2l2w 1
. 14 . 2673 . 1 1 11 . CG2 C -6.892 0.719 3.701 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG2 . . . . . . . . . rr_2l2w 1
. 14 . 2674 . 1 1 11 . H H -5.937 3.086 0.508 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 H . . . . . . . . . rr_2l2w 1
. 14 . 2675 . 1 1 11 . HA H -7.005 3.380 3.168 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HA . . . . . . . . . rr_2l2w 1
. 14 . 2676 . 1 1 11 . HD11 H -9.289 0.097 0.465 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD11 . . . . . . . . . rr_2l2w 1
. 14 . 2677 . 1 1 11 . HD12 H -9.042 -0.315 2.161 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD12 . . . . . . . . . rr_2l2w 1
. 14 . 2678 . 1 1 11 . HD13 H -7.793 -0.685 0.974 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD13 . . . . . . . . . rr_2l2w 1
. 14 . 2679 . 1 1 11 . HD2 H -9.694 2.255 1.662 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD2 . . . . . . . . . rr_2l2w 1
. 14 . 2680 . 1 1 11 . HG1 H -7.699 1.824 0.536 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG1 . . . . . . . . . rr_2l2w 1
. 14 . 2681 . 1 1 11 . HG21 H -7.180 -0.308 3.531 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG21 . . . . . . . . . rr_2l2w 1
. 14 . 2682 . 1 1 11 . HG22 H -7.686 1.234 4.221 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG22 . . . . . . . . . rr_2l2w 1
. 14 . 2683 . 1 1 11 . HG23 H -5.996 0.742 4.302 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG23 . . . . . . . . . rr_2l2w 1
. 14 . 2684 . 1 1 11 . HG3 H -4.923 1.352 1.439 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG3 . . . . . . . . . rr_2l2w 1
. 14 . 2685 . 1 1 11 . N N -6.119 3.596 1.326 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 N . . . . . . . . . rr_2l2w 1
. 14 . 2686 . 1 1 11 . OD2 O -8.877 2.228 2.166 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OD2 . . . . . . . . . rr_2l2w 1
. 14 . 2687 . 1 1 11 . OG3 O -5.595 0.720 1.703 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OG3 . . . . . . . . . rr_2l2w 1
. 14 . 2688 . 1 1 12 . C C -1.422 2.350 3.809 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 C . . . . . . . . . rr_2l2w 1
. 14 . 2689 . 1 1 12 . CA C -2.803 2.777 3.937 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CA . . . . . . . . . rr_2l2w 1
. 14 . 2690 . 1 1 12 . CB C -3.249 3.536 5.063 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CB . . . . . . . . . rr_2l2w 1
. 14 . 2691 . 1 1 12 . HB H -2.633 3.852 5.893 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 HB . . . . . . . . . rr_2l2w 1
. 14 . 2692 . 1 1 12 . N N -3.771 2.506 3.028 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 N . . . . . . . . . rr_2l2w 1
. 14 . 2693 . 1 1 12 . O O -0.543 2.607 4.632 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 O . . . . . . . . . rr_2l2w 1
. 14 . 2694 . 1 1 12 . SG S -4.890 3.854 4.881 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 SG . . . . . . . . . rr_2l2w 1
. 14 . 2695 . 1 1 13 THR C C 0.771 1.873 1.237 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_2l2w 1
. 14 . 2696 . 1 1 13 THR CA C 0.159 1.137 2.415 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_2l2w 1
. 14 . 2697 . 1 1 13 THR CB C 0.175 -0.381 2.159 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_2l2w 1
. 14 . 2698 . 1 1 13 THR CG2 C -0.031 -1.147 3.447 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_2l2w 1
. 14 . 2699 . 1 1 13 THR H H -1.916 1.448 2.086 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_2l2w 1
. 14 . 2700 . 1 1 13 THR HA H 0.769 1.320 3.287 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_2l2w 1
. 14 . 2701 . 1 1 13 THR HB H 1.133 -0.661 1.744 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_2l2w 1
. 14 . 2702 . 1 1 13 THR HG21 H -0.389 -2.138 3.223 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_2l2w 1
. 14 . 2703 . 1 1 13 THR HG22 H -0.750 -0.630 4.064 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_2l2w 1
. 14 . 2704 . 1 1 13 THR HG23 H 0.914 -1.214 3.968 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_2l2w 1
. 14 . 2705 . 1 1 13 THR N N -1.183 1.638 2.708 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_2l2w 1
. 14 . 2706 . 1 1 13 THR OG1 O -0.918 -0.775 1.236 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_2l2w 1
. 14 . 2707 . 1 1 14 . C C 3.502 2.156 -1.044 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 C . . . . . . . . . rr_2l2w 1
. 14 . 2708 . 1 1 14 . CA C 2.212 2.377 -0.317 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CA . . . . . . . . . rr_2l2w 1
. 14 . 2709 . 1 1 14 . CB C 1.230 3.381 -0.593 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CB . . . . . . . . . rr_2l2w 1
. 14 . 2710 . 1 1 14 . HB H 1.290 4.125 -1.374 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 HB . . . . . . . . . rr_2l2w 1
. 14 . 2711 . 1 1 14 . N N 1.903 1.569 0.710 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 N . . . . . . . . . rr_2l2w 1
. 14 . 2712 . 1 1 14 . SG S -0.035 3.205 0.508 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 SG . . . . . . . . . rr_2l2w 1
. 14 . 2713 . 1 1 15 . C C 6.653 2.432 0.913 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 C . . . . . . . . . rr_2l2w 1
. 14 . 2714 . 1 1 15 . CA C 5.696 1.989 -0.122 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CA . . . . . . . . . rr_2l2w 1
. 14 . 2715 . 1 1 15 . CB C 6.175 0.995 -1.097 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CB . . . . . . . . . rr_2l2w 1
. 14 . 2716 . 1 1 15 . HB2 H 6.387 0.072 -0.583 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB2 . . . . . . . . . rr_2l2w 1
. 14 . 2717 . 1 1 15 . HB3 H 7.082 1.356 -1.562 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB3 . . . . . . . . . rr_2l2w 1
. 14 . 2718 . 1 1 15 . N N 4.529 2.526 -0.059 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 N . . . . . . . . . rr_2l2w 1
. 14 . 2719 . 1 1 16 . C C 9.899 2.267 2.379 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 C . . . . . . . . . rr_2l2w 1
. 14 . 2720 . 1 1 16 . CA C 8.523 2.570 2.042 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CA . . . . . . . . . rr_2l2w 1
. 14 . 2721 . 1 1 16 . CB C 7.740 3.510 2.786 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CB . . . . . . . . . rr_2l2w 1
. 14 . 2722 . 1 1 16 . HB H 8.078 4.071 3.645 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 HB . . . . . . . . . rr_2l2w 1
. 14 . 2723 . 1 1 16 . N N 7.867 1.997 1.006 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 N . . . . . . . . . rr_2l2w 1
. 14 . 2724 . 1 1 16 . O O 10.512 2.781 3.314 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 O . . . . . . . . . rr_2l2w 1
. 14 . 2725 . 1 1 16 . SG S 6.204 3.593 2.099 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 SG . . . . . . . . . rr_2l2w 1
. 14 . 2726 . 1 1 17 DHA C C 12.048 -0.264 0.699 . . . 1.0 . . . . . . . . . . . . A . 16 DHA C . . . . . . . . . rr_2l2w 1
. 14 . 2727 . 1 1 17 DHA CA C 11.817 0.840 1.618 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CA . . . . . . . . . rr_2l2w 1
. 14 . 2728 . 1 1 17 DHA CB C 12.787 1.298 2.397 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CB . . . . . . . . . rr_2l2w 1
. 14 . 2729 . 1 1 17 DHA H H 9.844 0.981 0.879 . . . 1.0 . . . . . . . . . . . . A . 16 DHA H . . . . . . . . . rr_2l2w 1
. 14 . 2730 . 1 1 17 DHA HB1 H 12.599 2.116 3.073 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB1 . . . . . . . . . rr_2l2w 1
. 14 . 2731 . 1 1 17 DHA HB2 H 13.768 0.849 2.357 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB2 . . . . . . . . . rr_2l2w 1
. 14 . 2732 . 1 1 17 DHA N N 10.435 1.352 1.567 . . . 1.0 . . . . . . . . . . . . A . 16 DHA N . . . . . . . . . rr_2l2w 1
. 14 . 2733 . 1 1 17 DHA O O 11.093 -0.628 0.014 . . . 1.0 . . . . . . . . . . . . A . 16 DHA O . . . . . . . . . rr_2l2w 1
. 14 . 2734 . 1 1 18 DHA C C 15.048 -2.344 -0.041 . . . 1.0 . . . . . . . . . . . . A . 17 DHA C . . . . . . . . . rr_2l2w 1
. 14 . 2735 . 1 1 18 DHA CA C 13.659 -1.954 -0.226 . . . 1.0 . . . . . . . . . . . . A . 17 DHA CA . . . . . . . . . rr_2l2w 1
. 14 . 2736 . 1 1 18 DHA CB C 12.881 -2.582 -1.096 . . . 1.0 . . . . . . . . . . . . A . 17 DHA CB . . . . . . . . . rr_2l2w 1
. 14 . 2737 . 1 1 18 DHA H H 13.944 -0.455 1.231 . . . 1.0 . . . . . . . . . . . . A . 17 DHA H . . . . . . . . . rr_2l2w 1
. 14 . 2738 . 1 1 18 DHA HB1 H 11.853 -2.282 -1.222 . . . 1.0 . . . . . . . . . . . . A . 17 DHA HB1 . . . . . . . . . rr_2l2w 1
. 14 . 2739 . 1 1 18 DHA HB2 H 13.277 -3.398 -1.681 . . . 1.0 . . . . . . . . . . . . A . 17 DHA HB2 . . . . . . . . . rr_2l2w 1
. 14 . 2740 . 1 1 18 DHA N N 13.258 -0.829 0.640 . . . 1.0 . . . . . . . . . . . . A . 17 DHA N . . . . . . . . . rr_2l2w 1
. 14 . 2741 . 1 1 18 DHA O O 15.709 -1.716 0.786 . . . 1.0 . . . . . . . . . . . . A . 17 DHA O . . . . . . . . . rr_2l2w 1
. 14 . 2742 . 1 1 19 NH2 HN1 H 16.487 -3.605 -0.625 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN1 . . . . . . . . . rr_2l2w 1
. 14 . 2743 . 1 1 19 NH2 HN2 H 14.979 -3.812 -1.398 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN2 . . . . . . . . . rr_2l2w 1
. 14 . 2744 . 1 1 19 NH2 N N 15.550 -3.346 -0.753 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 N . . . . . . . . . rr_2l2w 1
. 15 . 2745 . 1 1 1 QUA C10 C -3.796 -2.502 -2.273 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C10 . . . . . . . . . rr_2l2w 1
. 15 . 2746 . 1 1 1 QUA C11 C -0.522 -1.151 0.063 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C11 . . . . . . . . . rr_2l2w 1
. 15 . 2747 . 1 1 1 QUA C13 C -2.247 -2.961 -4.252 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C13 . . . . . . . . . rr_2l2w 1
. 15 . 2748 . 1 1 1 QUA C14 C -2.153 -4.479 -4.295 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C14 . . . . . . . . . rr_2l2w 1
. 15 . 2749 . 1 1 1 QUA C2 C -1.697 -1.623 -0.735 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C2 . . . . . . . . . rr_2l2w 1
. 15 . 2750 . 1 1 1 QUA C3 C -1.445 -2.045 -2.035 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C3 . . . . . . . . . rr_2l2w 1
. 15 . 2751 . 1 1 1 QUA C4 C -2.506 -2.493 -2.821 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C4 . . . . . . . . . rr_2l2w 1
. 15 . 2752 . 1 1 1 QUA C5 C -4.975 -2.953 -3.029 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C5 . . . . . . . . . rr_2l2w 1
. 15 . 2753 . 1 1 1 QUA C6 C -6.095 -3.243 -2.444 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C6 . . . . . . . . . rr_2l2w 1
. 15 . 2754 . 1 1 1 QUA C7 C -6.271 -3.142 -0.926 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C7 . . . . . . . . . rr_2l2w 1
. 15 . 2755 . 1 1 1 QUA C8 C -5.337 -2.056 -0.321 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C8 . . . . . . . . . rr_2l2w 1
. 15 . 2756 . 1 1 1 QUA C9 C -3.955 -2.065 -0.965 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C9 . . . . . . . . . rr_2l2w 1
. 15 . 2757 . 1 1 1 QUA H13 H -3.064 -2.654 -4.887 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H13 . . . . . . . . . rr_2l2w 1
. 15 . 2758 . 1 1 1 QUA H141 H -1.346 -4.807 -3.658 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H141 . . . . . . . . . rr_2l2w 1
. 15 . 2759 . 1 1 1 QUA H142 H -1.963 -4.799 -5.310 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H142 . . . . . . . . . rr_2l2w 1
. 15 . 2760 . 1 1 1 QUA H143 H -3.081 -4.907 -3.950 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H143 . . . . . . . . . rr_2l2w 1
. 15 . 2761 . 1 1 1 QUA H15 H -0.368 -3.087 -4.837 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H15 . . . . . . . . . rr_2l2w 1
. 15 . 2762 . 1 1 1 QUA H16 H -5.685 -0.397 -1.330 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H16 . . . . . . . . . rr_2l2w 1
. 15 . 2763 . 1 1 1 QUA HC3 H -0.440 -2.026 -2.430 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC3 . . . . . . . . . rr_2l2w 1
. 15 . 2764 . 1 1 1 QUA HC5 H -4.909 -3.045 -4.102 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC5 . . . . . . . . . rr_2l2w 1
. 15 . 2765 . 1 1 1 QUA HC6 H -6.930 -3.568 -3.047 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC6 . . . . . . . . . rr_2l2w 1
. 15 . 2766 . 1 1 1 QUA HC71 H -7.295 -2.889 -0.696 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC71 . . . . . . . . . rr_2l2w 1
. 15 . 2767 . 1 1 1 QUA HC8 H -5.237 -2.253 0.738 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC8 . . . . . . . . . rr_2l2w 1
. 15 . 2768 . 1 1 1 QUA N1 N -2.937 -1.623 -0.176 . . . 1.0 . . . . . . . . . . . . A . 0 QUA N1 . . . . . . . . . rr_2l2w 1
. 15 . 2769 . 1 1 1 QUA O12 O 0.625 -1.128 -0.385 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O12 . . . . . . . . . rr_2l2w 1
. 15 . 2770 . 1 1 1 QUA O15 O -1.035 -2.399 -4.768 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O15 . . . . . . . . . rr_2l2w 1
. 15 . 2771 . 1 1 1 QUA O16 O -5.948 -0.771 -0.485 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O16 . . . . . . . . . rr_2l2w 1
. 15 . 2772 . 1 1 2 ILE C C -5.180 -4.930 1.928 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2l2w 1
. 15 . 2773 . 1 1 2 ILE CA C -6.386 -4.667 1.045 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2l2w 1
. 15 . 2774 . 1 1 2 ILE CB C -7.403 -5.817 1.210 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2l2w 1
. 15 . 2775 . 1 1 2 ILE CD1 C -7.749 -8.308 0.766 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2l2w 1
. 15 . 2776 . 1 1 2 ILE CG1 C -6.918 -7.074 0.476 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2l2w 1
. 15 . 2777 . 1 1 2 ILE CG2 C -8.770 -5.386 0.694 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2l2w 1
. 15 . 2778 . 1 1 2 ILE H H -5.022 -4.684 -0.468 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H . . . . . . . . . rr_2l2w 1
. 15 . 2779 . 1 1 2 ILE HA H -6.850 -3.756 1.373 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2l2w 1
. 15 . 2780 . 1 1 2 ILE HB H -7.497 -6.037 2.263 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2l2w 1
. 15 . 2781 . 1 1 2 ILE HD11 H -7.814 -8.456 1.834 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2l2w 1
. 15 . 2782 . 1 1 2 ILE HD12 H -7.284 -9.170 0.310 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2l2w 1
. 15 . 2783 . 1 1 2 ILE HD13 H -8.741 -8.179 0.359 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2l2w 1
. 15 . 2784 . 1 1 2 ILE HG12 H -6.952 -6.897 -0.589 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2l2w 1
. 15 . 2785 . 1 1 2 ILE HG13 H -5.900 -7.284 0.768 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2l2w 1
. 15 . 2786 . 1 1 2 ILE HG21 H -9.057 -4.460 1.168 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2l2w 1
. 15 . 2787 . 1 1 2 ILE HG22 H -9.499 -6.149 0.923 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2l2w 1
. 15 . 2788 . 1 1 2 ILE HG23 H -8.723 -5.243 -0.376 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2l2w 1
. 15 . 2789 . 1 1 2 ILE N N -5.981 -4.500 -0.381 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2l2w 1
. 15 . 2790 . 1 1 2 ILE O O -5.270 -4.860 3.154 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2l2w 1
. 15 . 2791 . 1 1 3 ALA C C -1.650 -5.671 1.056 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2l2w 1
. 15 . 2792 . 1 1 3 ALA CA C -2.830 -5.549 2.016 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2l2w 1
. 15 . 2793 . 1 1 3 ALA CB C -3.023 -6.833 2.802 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2l2w 1
. 15 . 2794 . 1 1 3 ALA H H -4.039 -5.223 0.315 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2l2w 1
. 15 . 2795 . 1 1 3 ALA HA H -2.632 -4.749 2.716 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2l2w 1
. 15 . 2796 . 1 1 3 ALA HB1 H -3.937 -6.765 3.375 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2l2w 1
. 15 . 2797 . 1 1 3 ALA HB2 H -2.187 -6.978 3.469 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2l2w 1
. 15 . 2798 . 1 1 3 ALA HB3 H -3.090 -7.666 2.118 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2l2w 1
. 15 . 2799 . 1 1 3 ALA N N -4.050 -5.224 1.295 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2l2w 1
. 15 . 2800 . 1 1 3 ALA O O -1.659 -6.513 0.159 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2l2w 1
. 15 . 2801 . 1 1 4 DHA C C 1.512 -3.732 0.951 . . . 1.0 . . . . . . . . . . . . A . 3 DHA C . . . . . . . . . rr_2l2w 1
. 15 . 2802 . 1 1 4 DHA CA C 0.509 -4.604 0.372 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CA . . . . . . . . . rr_2l2w 1
. 15 . 2803 . 1 1 4 DHA CB C 0.656 -5.100 -0.848 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CB . . . . . . . . . rr_2l2w 1
. 15 . 2804 . 1 1 4 DHA H H -0.651 -4.325 2.108 . . . 1.0 . . . . . . . . . . . . A . 3 DHA H . . . . . . . . . rr_2l2w 1
. 15 . 2805 . 1 1 4 DHA HB1 H -0.105 -5.735 -1.272 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB1 . . . . . . . . . rr_2l2w 1
. 15 . 2806 . 1 1 4 DHA HB2 H 1.536 -4.859 -1.425 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB2 . . . . . . . . . rr_2l2w 1
. 15 . 2807 . 1 1 4 DHA N N -0.637 -4.830 1.267 . . . 1.0 . . . . . . . . . . . . A . 3 DHA N . . . . . . . . . rr_2l2w 1
. 15 . 2808 . 1 1 4 DHA O O 1.302 -3.304 2.084 . . . 1.0 . . . . . . . . . . . . A . 3 DHA O . . . . . . . . . rr_2l2w 1
. 15 . 2809 . 1 1 5 ALA C C 3.913 -1.508 -0.482 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_2l2w 1
. 15 . 2810 . 1 1 5 ALA CA C 3.525 -2.396 0.691 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_2l2w 1
. 15 . 2811 . 1 1 5 ALA CB C 4.752 -3.034 1.320 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_2l2w 1
. 15 . 2812 . 1 1 5 ALA H H 2.767 -3.895 -0.590 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_2l2w 1
. 15 . 2813 . 1 1 5 ALA HA H 3.033 -1.792 1.440 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_2l2w 1
. 15 . 2814 . 1 1 5 ALA HB1 H 5.280 -3.611 0.575 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . rr_2l2w 1
. 15 . 2815 . 1 1 5 ALA HB2 H 4.442 -3.683 2.125 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_2l2w 1
. 15 . 2816 . 1 1 5 ALA HB3 H 5.401 -2.262 1.707 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_2l2w 1
. 15 . 2817 . 1 1 5 ALA N N 2.592 -3.421 0.249 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_2l2w 1
. 15 . 2818 . 1 1 5 ALA O O 4.517 -1.981 -1.445 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_2l2w 1
. 15 . 2819 . 1 1 6 SER C C 2.648 0.359 -2.585 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2l2w 1
. 15 . 2820 . 1 1 6 SER CA C 3.664 0.697 -1.598 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2l2w 1
. 15 . 2821 . 1 1 6 SER CB C 5.103 0.690 -2.192 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2l2w 1
. 15 . 2822 . 1 1 6 SER H H 3.183 0.114 0.453 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2l2w 1
. 15 . 2823 . 1 1 6 SER HB2 H 5.313 -0.267 -2.642 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2l2w 1
. 15 . 2824 . 1 1 6 SER HB3 H 5.187 1.464 -2.941 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2l2w 1
. 15 . 2825 . 1 1 6 SER N N 3.549 -0.223 -0.400 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2l2w 1
. 15 . 2826 . 1 1 7 . C C -0.624 0.696 -3.984 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 C . . . . . . . . . rr_2l2w 1
. 15 . 2827 . 1 1 7 . CA C 0.744 0.318 -3.687 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CA . . . . . . . . . rr_2l2w 1
. 15 . 2828 . 1 1 7 . CB C 1.460 -0.650 -4.453 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CB . . . . . . . . . rr_2l2w 1
. 15 . 2829 . 1 1 7 . HB H 1.077 -1.188 -5.308 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 HB . . . . . . . . . rr_2l2w 1
. 15 . 2830 . 1 1 7 . N N 1.448 0.845 -2.664 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 N . . . . . . . . . rr_2l2w 1
. 15 . 2831 . 1 1 7 . O O -1.284 0.249 -4.922 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 O . . . . . . . . . rr_2l2w 1
. 15 . 2832 . 1 1 7 . SG S 3.002 -0.814 -3.797 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 SG . . . . . . . . . rr_2l2w 1
. 15 . 2833 . 1 1 8 THR C C -2.565 3.566 -2.978 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2l2w 1
. 15 . 2834 . 1 1 8 THR CA C -2.489 2.058 -3.193 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2l2w 1
. 15 . 2835 . 1 1 8 THR CB C -3.385 1.352 -2.155 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2l2w 1
. 15 . 2836 . 1 1 8 THR CG2 C -2.875 1.584 -0.738 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2l2w 1
. 15 . 2837 . 1 1 8 THR H H -0.527 1.922 -2.406 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2l2w 1
. 15 . 2838 . 1 1 8 THR HA H -2.868 1.829 -4.178 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2l2w 1
. 15 . 2839 . 1 1 8 THR HB H -3.370 0.291 -2.354 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2l2w 1
. 15 . 2840 . 1 1 8 THR HG1 H -4.915 2.440 -1.548 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2l2w 1
. 15 . 2841 . 1 1 8 THR HG21 H -3.056 2.609 -0.451 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2l2w 1
. 15 . 2842 . 1 1 8 THR HG22 H -1.814 1.382 -0.700 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2l2w 1
. 15 . 2843 . 1 1 8 THR HG23 H -3.391 0.924 -0.057 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2l2w 1
. 15 . 2844 . 1 1 8 THR N N -1.111 1.582 -3.116 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2l2w 1
. 15 . 2845 . 1 1 8 THR O O -1.577 4.205 -2.618 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2l2w 1
. 15 . 2846 . 1 1 8 THR OG1 O -4.733 1.826 -2.263 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2l2w 1
. 15 . 2847 . 1 1 9 DBU C C -4.948 5.901 -1.925 . . . 1.0 . . . . . . . . . . . . A . 8 DBU C . . . . . . . . . rr_2l2w 1
. 15 . 2848 . 1 1 9 DBU CA C -4.050 5.556 -3.054 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CA . . . . . . . . . rr_2l2w 1
. 15 . 2849 . 1 1 9 DBU CB C -3.580 6.509 -3.855 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CB . . . . . . . . . rr_2l2w 1
. 15 . 2850 . 1 1 9 DBU CG C -2.650 6.221 -5.044 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CG . . . . . . . . . rr_2l2w 1
. 15 . 2851 . 1 1 9 DBU HG1 H -1.721 5.804 -4.682 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG1 . . . . . . . . . rr_2l2w 1
. 15 . 2852 . 1 1 9 DBU HG2 H -2.449 7.139 -5.575 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG2 . . . . . . . . . rr_2l2w 1
. 15 . 2853 . 1 1 9 DBU HG3 H -3.125 5.516 -5.711 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG3 . . . . . . . . . rr_2l2w 1
. 15 . 2854 . 1 1 9 DBU N N -3.749 4.130 -3.199 . . . 1.0 . . . . . . . . . . . . A . 8 DBU N . . . . . . . . . rr_2l2w 1
. 15 . 2855 . 1 1 10 . C C -6.229 4.932 1.266 . . . 1.0 . . . . . . . . . . . . A . 9 DCY C . . . . . . . . . rr_2l2w 1
. 15 . 2856 . 1 1 10 . CA C -6.303 5.614 -0.087 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CA . . . . . . . . . rr_2l2w 1
. 15 . 2857 . 1 1 10 . CB C -5.910 7.084 0.038 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CB . . . . . . . . . rr_2l2w 1
. 15 . 2858 . 1 1 10 . HA H -7.324 5.571 -0.433 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HA . . . . . . . . . rr_2l2w 1
. 15 . 2859 . 1 1 10 . HB2 H -6.760 7.674 0.367 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB2 . . . . . . . . . rr_2l2w 1
. 15 . 2860 . 1 1 10 . HB3 H -5.077 7.202 0.708 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB3 . . . . . . . . . rr_2l2w 1
. 15 . 2861 . 1 1 10 . N N -5.440 5.004 -1.109 . . . 1.0 . . . . . . . . . . . . A . 9 DCY N . . . . . . . . . rr_2l2w 1
. 15 . 2862 . 1 1 10 . O O -6.289 5.632 2.277 . . . 1.0 . . . . . . . . . . . . A . 9 DCY O . . . . . . . . . rr_2l2w 1
. 15 . 2863 . 1 1 10 . SG S -5.405 7.544 -1.623 . . . 1.0 . . . . . . . . . . . . A . 9 DCY SG . . . . . . . . . rr_2l2w 1
. 15 . 2864 . 1 1 11 . C C -4.917 3.000 3.367 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 C . . . . . . . . . rr_2l2w 1
. 15 . 2865 . 1 1 11 . CA C -6.211 2.869 2.560 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CA . . . . . . . . . rr_2l2w 1
. 15 . 2866 . 1 1 11 . CB C -6.573 1.365 2.303 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CB . . . . . . . . . rr_2l2w 1
. 15 . 2867 . 1 1 11 . CD1 C -8.418 -0.028 1.077 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CD1 . . . . . . . . . rr_2l2w 1
. 15 . 2868 . 1 1 11 . CG1 C -7.768 1.334 1.286 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG1 . . . . . . . . . rr_2l2w 1
. 15 . 2869 . 1 1 11 . CG2 C -6.947 0.684 3.583 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG2 . . . . . . . . . rr_2l2w 1
. 15 . 2870 . 1 1 11 . H H -5.933 3.117 0.472 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 H . . . . . . . . . rr_2l2w 1
. 15 . 2871 . 1 1 11 . HA H -7.015 3.322 3.124 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HA . . . . . . . . . rr_2l2w 1
. 15 . 2872 . 1 1 11 . HD11 H -9.104 -0.227 1.886 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD11 . . . . . . . . . rr_2l2w 1
. 15 . 2873 . 1 1 11 . HD12 H -7.654 -0.792 1.060 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD12 . . . . . . . . . rr_2l2w 1
. 15 . 2874 . 1 1 11 . HD13 H -8.953 -0.033 0.140 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD13 . . . . . . . . . rr_2l2w 1
. 15 . 2875 . 1 1 11 . HD2 H -9.425 1.754 2.273 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD2 . . . . . . . . . rr_2l2w 1
. 15 . 2876 . 1 1 11 . HG1 H -7.428 1.693 0.327 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG1 . . . . . . . . . rr_2l2w 1
. 15 . 2877 . 1 1 11 . HG21 H -6.171 0.838 4.317 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG21 . . . . . . . . . rr_2l2w 1
. 15 . 2878 . 1 1 11 . HG22 H -7.067 -0.375 3.407 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG22 . . . . . . . . . rr_2l2w 1
. 15 . 2879 . 1 1 11 . HG23 H -7.876 1.094 3.952 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG23 . . . . . . . . . rr_2l2w 1
. 15 . 2880 . 1 1 11 . HG3 H -5.363 -0.162 2.108 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG3 . . . . . . . . . rr_2l2w 1
. 15 . 2881 . 1 1 11 . N N -6.103 3.606 1.303 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 N . . . . . . . . . rr_2l2w 1
. 15 . 2882 . 1 1 11 . OD2 O -8.751 2.245 1.796 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OD2 . . . . . . . . . rr_2l2w 1
. 15 . 2883 . 1 1 11 . OG3 O -5.459 0.713 1.723 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OG3 . . . . . . . . . rr_2l2w 1
. 15 . 2884 . 1 1 12 . C C -1.431 2.375 3.846 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 C . . . . . . . . . rr_2l2w 1
. 15 . 2885 . 1 1 12 . CA C -2.815 2.793 3.955 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CA . . . . . . . . . rr_2l2w 1
. 15 . 2886 . 1 1 12 . CB C -3.287 3.551 5.071 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CB . . . . . . . . . rr_2l2w 1
. 15 . 2887 . 1 1 12 . HB H -2.688 3.874 5.909 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 HB . . . . . . . . . rr_2l2w 1
. 15 . 2888 . 1 1 12 . N N -3.764 2.511 3.031 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 N . . . . . . . . . rr_2l2w 1
. 15 . 2889 . 1 1 12 . O O -0.563 2.643 4.679 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 O . . . . . . . . . rr_2l2w 1
. 15 . 2890 . 1 1 12 . SG S -4.927 3.853 4.860 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 SG . . . . . . . . . rr_2l2w 1
. 15 . 2891 . 1 1 13 THR C C 0.770 1.895 1.274 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_2l2w 1
. 15 . 2892 . 1 1 13 THR CA C 0.171 1.171 2.465 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_2l2w 1
. 15 . 2893 . 1 1 13 THR CB C 0.203 -0.351 2.223 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_2l2w 1
. 15 . 2894 . 1 1 13 THR CG2 C -0.009 -1.110 3.514 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_2l2w 1
. 15 . 2895 . 1 1 13 THR H H -1.905 1.457 2.129 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_2l2w 1
. 15 . 2896 . 1 1 13 THR HA H 0.782 1.373 3.333 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_2l2w 1
. 15 . 2897 . 1 1 13 THR HB H 1.169 -0.626 1.820 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_2l2w 1
. 15 . 2898 . 1 1 13 THR HG21 H -0.352 -2.108 3.292 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_2l2w 1
. 15 . 2899 . 1 1 13 THR HG22 H -0.744 -0.599 4.118 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_2l2w 1
. 15 . 2900 . 1 1 13 THR HG23 H 0.928 -1.162 4.048 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_2l2w 1
. 15 . 2901 . 1 1 13 THR N N -1.177 1.659 2.752 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_2l2w 1
. 15 . 2902 . 1 1 13 THR OG1 O -0.876 -0.760 1.289 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_2l2w 1
. 15 . 2903 . 1 1 14 . C C 3.474 2.157 -1.043 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 C . . . . . . . . . rr_2l2w 1
. 15 . 2904 . 1 1 14 . CA C 2.191 2.384 -0.303 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CA . . . . . . . . . rr_2l2w 1
. 15 . 2905 . 1 1 14 . CB C 1.202 3.381 -0.580 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CB . . . . . . . . . rr_2l2w 1
. 15 . 2906 . 1 1 14 . HB H 1.249 4.115 -1.371 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 HB . . . . . . . . . rr_2l2w 1
. 15 . 2907 . 1 1 14 . N N 1.897 1.589 0.737 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 N . . . . . . . . . rr_2l2w 1
. 15 . 2908 . 1 1 14 . SG S -0.049 3.214 0.537 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 SG . . . . . . . . . rr_2l2w 1
. 15 . 2909 . 1 1 15 . C C 6.651 2.402 0.887 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 C . . . . . . . . . rr_2l2w 1
. 15 . 2910 . 1 1 15 . CA C 5.674 1.965 -0.133 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CA . . . . . . . . . rr_2l2w 1
. 15 . 2911 . 1 1 15 . CB C 6.131 0.953 -1.097 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CB . . . . . . . . . rr_2l2w 1
. 15 . 2912 . 1 1 15 . HB2 H 6.319 0.029 -0.575 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB2 . . . . . . . . . rr_2l2w 1
. 15 . 2913 . 1 1 15 . HB3 H 7.048 1.287 -1.563 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB3 . . . . . . . . . rr_2l2w 1
. 15 . 2914 . 1 1 15 . N N 4.515 2.523 -0.068 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 N . . . . . . . . . rr_2l2w 1
. 15 . 2915 . 1 1 16 . C C 9.909 2.166 2.306 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 C . . . . . . . . . rr_2l2w 1
. 15 . 2916 . 1 1 16 . CA C 8.536 2.504 1.986 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CA . . . . . . . . . rr_2l2w 1
. 15 . 2917 . 1 1 16 . CB C 7.789 3.472 2.731 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CB . . . . . . . . . rr_2l2w 1
. 15 . 2918 . 1 1 16 . HB H 8.153 4.034 3.579 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 HB . . . . . . . . . rr_2l2w 1
. 15 . 2919 . 1 1 16 . N N 7.852 1.938 0.969 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 N . . . . . . . . . rr_2l2w 1
. 15 . 2920 . 1 1 16 . O O 10.550 2.673 3.226 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 O . . . . . . . . . rr_2l2w 1
. 15 . 2921 . 1 1 16 . SG S 6.246 3.587 2.064 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 SG . . . . . . . . . rr_2l2w 1
. 15 . 2922 . 1 1 17 DHA C C 11.999 -0.350 0.518 . . . 1.0 . . . . . . . . . . . . A . 16 DHA C . . . . . . . . . rr_2l2w 1
. 15 . 2923 . 1 1 17 DHA CA C 11.765 0.654 1.545 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CA . . . . . . . . . rr_2l2w 1
. 15 . 2924 . 1 1 17 DHA CB C 12.709 0.975 2.419 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CB . . . . . . . . . rr_2l2w 1
. 15 . 2925 . 1 1 17 DHA H H 9.813 0.912 0.779 . . . 1.0 . . . . . . . . . . . . A . 16 DHA H . . . . . . . . . rr_2l2w 1
. 15 . 2926 . 1 1 17 DHA HB1 H 12.522 1.721 3.174 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB1 . . . . . . . . . rr_2l2w 1
. 15 . 2927 . 1 1 17 DHA HB2 H 13.672 0.487 2.375 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB2 . . . . . . . . . rr_2l2w 1
. 15 . 2928 . 1 1 17 DHA N N 10.409 1.236 1.486 . . . 1.0 . . . . . . . . . . . . A . 16 DHA N . . . . . . . . . rr_2l2w 1
. 15 . 2929 . 1 1 17 DHA O O 11.070 -0.587 -0.253 . . . 1.0 . . . . . . . . . . . . A . 16 DHA O . . . . . . . . . rr_2l2w 1
. 15 . 2930 . 1 1 18 DHA C C 14.931 -2.512 -0.268 . . . 1.0 . . . . . . . . . . . . A . 17 DHA C . . . . . . . . . rr_2l2w 1
. 15 . 2931 . 1 1 18 DHA CA C 13.594 -1.994 -0.518 . . . 1.0 . . . . . . . . . . . . A . 17 DHA CA . . . . . . . . . rr_2l2w 1
. 15 . 2932 . 1 1 18 DHA CB C 12.866 -2.436 -1.534 . . . 1.0 . . . . . . . . . . . . A . 17 DHA CB . . . . . . . . . rr_2l2w 1
. 15 . 2933 . 1 1 18 DHA H H 13.844 -0.710 1.138 . . . 1.0 . . . . . . . . . . . . A . 17 DHA H . . . . . . . . . rr_2l2w 1
. 15 . 2934 . 1 1 18 DHA HB1 H 11.878 -2.043 -1.707 . . . 1.0 . . . . . . . . . . . . A . 17 DHA HB1 . . . . . . . . . rr_2l2w 1
. 15 . 2935 . 1 1 18 DHA HB2 H 13.265 -3.194 -2.192 . . . 1.0 . . . . . . . . . . . . A . 17 DHA HB2 . . . . . . . . . rr_2l2w 1
. 15 . 2936 . 1 1 18 DHA N N 13.185 -0.967 0.459 . . . 1.0 . . . . . . . . . . . . A . 17 DHA N . . . . . . . . . rr_2l2w 1
. 15 . 2937 . 1 1 18 DHA O O 15.546 -2.050 0.693 . . . 1.0 . . . . . . . . . . . . A . 17 DHA O . . . . . . . . . rr_2l2w 1
. 15 . 2938 . 1 1 19 NH2 HN1 H 16.337 -3.792 -0.890 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN1 . . . . . . . . . rr_2l2w 1
. 15 . 2939 . 1 1 19 NH2 HN2 H 14.903 -3.781 -1.817 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN2 . . . . . . . . . rr_2l2w 1
. 15 . 2940 . 1 1 19 NH2 N N 15.436 -3.448 -1.065 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 N . . . . . . . . . rr_2l2w 1
. 16 . 2941 . 1 1 1 QUA C10 C -3.890 -2.496 -2.241 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C10 . . . . . . . . . rr_2l2w 1
. 16 . 2942 . 1 1 1 QUA C11 C -0.571 -1.171 0.046 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C11 . . . . . . . . . rr_2l2w 1
. 16 . 2943 . 1 1 1 QUA C13 C -2.386 -2.897 -4.270 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C13 . . . . . . . . . rr_2l2w 1
. 16 . 2944 . 1 1 1 QUA C14 C -2.343 -4.416 -4.361 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C14 . . . . . . . . . rr_2l2w 1
. 16 . 2945 . 1 1 1 QUA C2 C -1.761 -1.636 -0.737 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C2 . . . . . . . . . rr_2l2w 1
. 16 . 2946 . 1 1 1 QUA C3 C -1.536 -2.026 -2.050 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C3 . . . . . . . . . rr_2l2w 1
. 16 . 2947 . 1 1 1 QUA C4 C -2.613 -2.464 -2.821 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C4 . . . . . . . . . rr_2l2w 1
. 16 . 2948 . 1 1 1 QUA C5 C -5.083 -2.937 -2.980 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C5 . . . . . . . . . rr_2l2w 1
. 16 . 2949 . 1 1 1 QUA C6 C -6.189 -3.246 -2.377 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C6 . . . . . . . . . rr_2l2w 1
. 16 . 2950 . 1 1 1 QUA C7 C -6.334 -3.179 -0.852 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C7 . . . . . . . . . rr_2l2w 1
. 16 . 2951 . 1 1 1 QUA C8 C -5.385 -2.105 -0.242 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C8 . . . . . . . . . rr_2l2w 1
. 16 . 2952 . 1 1 1 QUA C9 C -4.021 -2.089 -0.922 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C9 . . . . . . . . . rr_2l2w 1
. 16 . 2953 . 1 1 1 QUA H13 H -3.200 -2.544 -4.883 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H13 . . . . . . . . . rr_2l2w 1
. 16 . 2954 . 1 1 1 QUA H141 H -1.515 -4.788 -3.779 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H141 . . . . . . . . . rr_2l2w 1
. 16 . 2955 . 1 1 1 QUA H142 H -2.220 -4.710 -5.394 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H142 . . . . . . . . . rr_2l2w 1
. 16 . 2956 . 1 1 1 QUA H143 H -3.266 -4.827 -3.979 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H143 . . . . . . . . . rr_2l2w 1
. 16 . 2957 . 1 1 1 QUA H15 H -0.978 -2.744 -5.642 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H15 . . . . . . . . . rr_2l2w 1
. 16 . 2958 . 1 1 1 QUA H16 H -5.333 -0.156 -0.531 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H16 . . . . . . . . . rr_2l2w 1
. 16 . 2959 . 1 1 1 QUA HC3 H -0.542 -1.991 -2.470 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC3 . . . . . . . . . rr_2l2w 1
. 16 . 2960 . 1 1 1 QUA HC5 H -5.040 -3.004 -4.058 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC5 . . . . . . . . . rr_2l2w 1
. 16 . 2961 . 1 1 1 QUA HC6 H -7.036 -3.563 -2.968 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC6 . . . . . . . . . rr_2l2w 1
. 16 . 2962 . 1 1 1 QUA HC71 H -7.351 -2.928 -0.597 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC71 . . . . . . . . . rr_2l2w 1
. 16 . 2963 . 1 1 1 QUA HC8 H -5.256 -2.332 0.807 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC8 . . . . . . . . . rr_2l2w 1
. 16 . 2964 . 1 1 1 QUA N1 N -2.986 -1.657 -0.147 . . . 1.0 . . . . . . . . . . . . A . 0 QUA N1 . . . . . . . . . rr_2l2w 1
. 16 . 2965 . 1 1 1 QUA O12 O 0.570 -1.158 -0.416 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O12 . . . . . . . . . rr_2l2w 1
. 16 . 2966 . 1 1 1 QUA O15 O -1.161 -2.360 -4.782 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O15 . . . . . . . . . rr_2l2w 1
. 16 . 2967 . 1 1 1 QUA O16 O -6.003 -0.819 -0.351 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O16 . . . . . . . . . rr_2l2w 1
. 16 . 2968 . 1 1 2 ILE C C -5.127 -5.011 1.918 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2l2w 1
. 16 . 2969 . 1 1 2 ILE CA C -6.373 -4.731 1.100 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2l2w 1
. 16 . 2970 . 1 1 2 ILE CB C -7.389 -5.874 1.312 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2l2w 1
. 16 . 2971 . 1 1 2 ILE CD1 C -7.772 -8.363 0.885 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2l2w 1
. 16 . 2972 . 1 1 2 ILE CG1 C -6.939 -7.139 0.568 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2l2w 1
. 16 . 2973 . 1 1 2 ILE CG2 C -8.772 -5.437 0.849 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2l2w 1
. 16 . 2974 . 1 1 2 ILE H H -5.093 -4.752 -0.484 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H . . . . . . . . . rr_2l2w 1
. 16 . 2975 . 1 1 2 ILE HA H -6.812 -3.819 1.461 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2l2w 1
. 16 . 2976 . 1 1 2 ILE HB H -7.441 -6.087 2.368 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2l2w 1
. 16 . 2977 . 1 1 2 ILE HD11 H -7.345 -9.226 0.394 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2l2w 1
. 16 . 2978 . 1 1 2 ILE HD12 H -8.782 -8.214 0.535 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2l2w 1
. 16 . 2979 . 1 1 2 ILE HD13 H -7.781 -8.527 1.953 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2l2w 1
. 16 . 2980 . 1 1 2 ILE HG12 H -7.002 -6.965 -0.496 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2l2w 1
. 16 . 2981 . 1 1 2 ILE HG13 H -5.914 -7.359 0.830 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2l2w 1
. 16 . 2982 . 1 1 2 ILE HG21 H -8.764 -5.292 -0.221 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2l2w 1
. 16 . 2983 . 1 1 2 ILE HG22 H -9.036 -4.510 1.336 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2l2w 1
. 16 . 2984 . 1 1 2 ILE HG23 H -9.495 -6.197 1.105 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2l2w 1
. 16 . 2985 . 1 1 2 ILE N N -6.041 -4.551 -0.343 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2l2w 1
. 16 . 2986 . 1 1 2 ILE O O -5.162 -4.989 3.149 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2l2w 1
. 16 . 2987 . 1 1 3 ALA C C -1.632 -5.689 0.881 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2l2w 1
. 16 . 2988 . 1 1 3 ALA CA C -2.784 -5.647 1.880 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2l2w 1
. 16 . 2989 . 1 1 3 ALA CB C -2.957 -6.991 2.562 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2l2w 1
. 16 . 2990 . 1 1 3 ALA H H -4.050 -5.206 0.248 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2l2w 1
. 16 . 2991 . 1 1 3 ALA HA H -2.566 -4.908 2.638 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2l2w 1
. 16 . 2992 . 1 1 3 ALA HB1 H -3.851 -6.967 3.169 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2l2w 1
. 16 . 2993 . 1 1 3 ALA HB2 H -2.101 -7.193 3.186 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2l2w 1
. 16 . 2994 . 1 1 3 ALA HB3 H -3.052 -7.763 1.813 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2l2w 1
. 16 . 2995 . 1 1 3 ALA N N -4.025 -5.270 1.225 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2l2w 1
. 16 . 2996 . 1 1 3 ALA O O -1.688 -6.420 -0.108 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2l2w 1
. 16 . 2997 . 1 1 4 DHA C C 1.539 -3.755 0.898 . . . 1.0 . . . . . . . . . . . . A . 3 DHA C . . . . . . . . . rr_2l2w 1
. 16 . 2998 . 1 1 4 DHA CA C 0.576 -4.658 0.296 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CA . . . . . . . . . rr_2l2w 1
. 16 . 2999 . 1 1 4 DHA CB C 0.776 -5.165 -0.913 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CB . . . . . . . . . rr_2l2w 1
. 16 . 3000 . 1 1 4 DHA H H -0.608 -4.442 2.024 . . . 1.0 . . . . . . . . . . . . A . 3 DHA H . . . . . . . . . rr_2l2w 1
. 16 . 3001 . 1 1 4 DHA HB1 H 0.047 -5.823 -1.356 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB1 . . . . . . . . . rr_2l2w 1
. 16 . 3002 . 1 1 4 DHA HB2 H 1.670 -4.908 -1.463 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB2 . . . . . . . . . rr_2l2w 1
. 16 . 3003 . 1 1 4 DHA N N -0.592 -4.901 1.158 . . . 1.0 . . . . . . . . . . . . A . 3 DHA N . . . . . . . . . rr_2l2w 1
. 16 . 3004 . 1 1 4 DHA O O 1.280 -3.318 2.018 . . . 1.0 . . . . . . . . . . . . A . 3 DHA O . . . . . . . . . rr_2l2w 1
. 16 . 3005 . 1 1 5 ALA C C 3.946 -1.501 -0.474 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_2l2w 1
. 16 . 3006 . 1 1 5 ALA CA C 3.546 -2.394 0.690 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_2l2w 1
. 16 . 3007 . 1 1 5 ALA CB C 4.771 -3.016 1.342 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_2l2w 1
. 16 . 3008 . 1 1 5 ALA H H 2.848 -3.913 -0.600 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_2l2w 1
. 16 . 3009 . 1 1 5 ALA HA H 3.030 -1.799 1.431 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_2l2w 1
. 16 . 3010 . 1 1 5 ALA HB1 H 4.454 -3.707 2.110 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . rr_2l2w 1
. 16 . 3011 . 1 1 5 ALA HB2 H 5.376 -2.239 1.785 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_2l2w 1
. 16 . 3012 . 1 1 5 ALA HB3 H 5.347 -3.542 0.597 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_2l2w 1
. 16 . 3013 . 1 1 5 ALA N N 2.638 -3.435 0.229 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_2l2w 1
. 16 . 3014 . 1 1 5 ALA O O 4.562 -1.968 -1.431 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_2l2w 1
. 16 . 3015 . 1 1 6 SER C C 2.686 0.355 -2.585 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2l2w 1
. 16 . 3016 . 1 1 6 SER CA C 3.697 0.702 -1.593 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2l2w 1
. 16 . 3017 . 1 1 6 SER CB C 5.139 0.705 -2.179 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2l2w 1
. 16 . 3018 . 1 1 6 SER H H 3.212 0.121 0.458 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2l2w 1
. 16 . 3019 . 1 1 6 SER HB2 H 5.361 -0.254 -2.619 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2l2w 1
. 16 . 3020 . 1 1 6 SER HB3 H 5.219 1.473 -2.935 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2l2w 1
. 16 . 3021 . 1 1 6 SER N N 3.579 -0.217 -0.393 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2l2w 1
. 16 . 3022 . 1 1 7 . C C -0.584 0.668 -3.998 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 C . . . . . . . . . rr_2l2w 1
. 16 . 3023 . 1 1 7 . CA C 0.787 0.300 -3.695 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CA . . . . . . . . . rr_2l2w 1
. 16 . 3024 . 1 1 7 . CB C 1.513 -0.661 -4.461 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CB . . . . . . . . . rr_2l2w 1
. 16 . 3025 . 1 1 7 . HB H 1.138 -1.200 -5.317 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 HB . . . . . . . . . rr_2l2w 1
. 16 . 3026 . 1 1 7 . N N 1.483 0.831 -2.668 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 N . . . . . . . . . rr_2l2w 1
. 16 . 3027 . 1 1 7 . O O -1.232 0.225 -4.946 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 O . . . . . . . . . rr_2l2w 1
. 16 . 3028 . 1 1 7 . SG S 3.054 -0.813 -3.798 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 SG . . . . . . . . . rr_2l2w 1
. 16 . 3029 . 1 1 8 THR C C -2.514 3.535 -2.987 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2l2w 1
. 16 . 3030 . 1 1 8 THR CA C -2.457 2.030 -3.226 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2l2w 1
. 16 . 3031 . 1 1 8 THR CB C -3.394 1.319 -2.225 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2l2w 1
. 16 . 3032 . 1 1 8 THR CG2 C -2.949 1.555 -0.787 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2l2w 1
. 16 . 3033 . 1 1 8 THR H H -0.521 1.851 -2.386 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2l2w 1
. 16 . 3034 . 1 1 8 THR HA H -2.811 1.821 -4.226 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2l2w 1
. 16 . 3035 . 1 1 8 THR HB H -3.366 0.258 -2.423 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2l2w 1
. 16 . 3036 . 1 1 8 THR HG1 H -4.812 2.678 -2.041 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2l2w 1
. 16 . 3037 . 1 1 8 THR HG21 H -3.485 0.886 -0.131 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2l2w 1
. 16 . 3038 . 1 1 8 THR HG22 H -3.159 2.576 -0.506 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2l2w 1
. 16 . 3039 . 1 1 8 THR HG23 H -1.888 1.369 -0.702 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2l2w 1
. 16 . 3040 . 1 1 8 THR N N -1.086 1.536 -3.121 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2l2w 1
. 16 . 3041 . 1 1 8 THR O O -1.518 4.153 -2.610 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2l2w 1
. 16 . 3042 . 1 1 8 THR OG1 O -4.737 1.788 -2.392 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2l2w 1
. 16 . 3043 . 1 1 9 DBU C C -4.901 5.878 -1.925 . . . 1.0 . . . . . . . . . . . . A . 8 DBU C . . . . . . . . . rr_2l2w 1
. 16 . 3044 . 1 1 9 DBU CA C -3.971 5.547 -3.033 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CA . . . . . . . . . rr_2l2w 1
. 16 . 3045 . 1 1 9 DBU CB C -3.458 6.514 -3.792 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CB . . . . . . . . . rr_2l2w 1
. 16 . 3046 . 1 1 9 DBU CG C -2.494 6.244 -4.956 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CG . . . . . . . . . rr_2l2w 1
. 16 . 3047 . 1 1 9 DBU HG1 H -2.975 5.605 -5.682 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG1 . . . . . . . . . rr_2l2w 1
. 16 . 3048 . 1 1 9 DBU HG2 H -1.605 5.757 -4.582 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG2 . . . . . . . . . rr_2l2w 1
. 16 . 3049 . 1 1 9 DBU HG3 H -2.220 7.179 -5.423 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG3 . . . . . . . . . rr_2l2w 1
. 16 . 3050 . 1 1 9 DBU N N -3.688 4.120 -3.207 . . . 1.0 . . . . . . . . . . . . A . 8 DBU N . . . . . . . . . rr_2l2w 1
. 16 . 3051 . 1 1 10 . C C -6.189 4.935 1.269 . . . 1.0 . . . . . . . . . . . . A . 9 DCY C . . . . . . . . . rr_2l2w 1
. 16 . 3052 . 1 1 10 . CA C -6.278 5.572 -0.104 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CA . . . . . . . . . rr_2l2w 1
. 16 . 3053 . 1 1 10 . CB C -5.967 7.064 -0.017 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CB . . . . . . . . . rr_2l2w 1
. 16 . 3054 . 1 1 10 . HA H -7.290 5.464 -0.463 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HA . . . . . . . . . rr_2l2w 1
. 16 . 3055 . 1 1 10 . HB2 H -6.857 7.616 0.270 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB2 . . . . . . . . . rr_2l2w 1
. 16 . 3056 . 1 1 10 . HB3 H -5.163 7.247 0.673 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB3 . . . . . . . . . rr_2l2w 1
. 16 . 3057 . 1 1 10 . N N -5.369 4.980 -1.099 . . . 1.0 . . . . . . . . . . . . A . 9 DCY N . . . . . . . . . rr_2l2w 1
. 16 . 3058 . 1 1 10 . O O -6.187 5.672 2.257 . . . 1.0 . . . . . . . . . . . . A . 9 DCY O . . . . . . . . . rr_2l2w 1
. 16 . 3059 . 1 1 10 . SG S -5.437 7.505 -1.675 . . . 1.0 . . . . . . . . . . . . A . 9 DCY SG . . . . . . . . . rr_2l2w 1
. 16 . 3060 . 1 1 11 . C C -4.889 3.058 3.407 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 C . . . . . . . . . rr_2l2w 1
. 16 . 3061 . 1 1 11 . CA C -6.205 2.921 2.639 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CA . . . . . . . . . rr_2l2w 1
. 16 . 3062 . 1 1 11 . CB C -6.601 1.415 2.448 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CB . . . . . . . . . rr_2l2w 1
. 16 . 3063 . 1 1 11 . CD1 C -8.521 0.002 1.368 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CD1 . . . . . . . . . rr_2l2w 1
. 16 . 3064 . 1 1 11 . CG1 C -7.905 1.380 1.575 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG1 . . . . . . . . . rr_2l2w 1
. 16 . 3065 . 1 1 11 . CG2 C -6.835 0.751 3.771 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG2 . . . . . . . . . rr_2l2w 1
. 16 . 3066 . 1 1 11 . H H -6.003 3.082 0.534 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 H . . . . . . . . . rr_2l2w 1
. 16 . 3067 . 1 1 11 . HA H -6.986 3.409 3.206 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HA . . . . . . . . . rr_2l2w 1
. 16 . 3068 . 1 1 11 . HD11 H -9.215 0.038 0.542 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD11 . . . . . . . . . rr_2l2w 1
. 16 . 3069 . 1 1 11 . HD12 H -9.046 -0.295 2.265 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD12 . . . . . . . . . rr_2l2w 1
. 16 . 3070 . 1 1 11 . HD13 H -7.742 -0.714 1.154 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD13 . . . . . . . . . rr_2l2w 1
. 16 . 3071 . 1 1 11 . HD2 H -9.722 2.099 1.851 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD2 . . . . . . . . . rr_2l2w 1
. 16 . 3072 . 1 1 11 . HG1 H -7.694 1.801 0.604 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG1 . . . . . . . . . rr_2l2w 1
. 16 . 3073 . 1 1 11 . HG21 H -7.666 1.228 4.271 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG21 . . . . . . . . . rr_2l2w 1
. 16 . 3074 . 1 1 11 . HG22 H -5.949 0.838 4.383 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG22 . . . . . . . . . rr_2l2w 1
. 16 . 3075 . 1 1 11 . HG23 H -7.062 -0.293 3.617 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG23 . . . . . . . . . rr_2l2w 1
. 16 . 3076 . 1 1 11 . HG3 H -5.431 -0.125 2.138 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG3 . . . . . . . . . rr_2l2w 1
. 16 . 3077 . 1 1 11 . N N -6.118 3.608 1.352 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 N . . . . . . . . . rr_2l2w 1
. 16 . 3078 . 1 1 11 . OD2 O -8.854 2.220 2.244 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OD2 . . . . . . . . . rr_2l2w 1
. 16 . 3079 . 1 1 11 . OG3 O -5.562 0.746 1.757 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OG3 . . . . . . . . . rr_2l2w 1
. 16 . 3080 . 1 1 12 . C C -1.399 2.407 3.812 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 C . . . . . . . . . rr_2l2w 1
. 16 . 3081 . 1 1 12 . CA C -2.775 2.842 3.942 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CA . . . . . . . . . rr_2l2w 1
. 16 . 3082 . 1 1 12 . CB C -3.206 3.637 5.047 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CB . . . . . . . . . rr_2l2w 1
. 16 . 3083 . 1 1 12 . HB H -2.579 3.975 5.858 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 HB . . . . . . . . . rr_2l2w 1
. 16 . 3084 . 1 1 12 . N N -3.752 2.545 3.053 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 N . . . . . . . . . rr_2l2w 1
. 16 . 3085 . 1 1 12 . O O -0.510 2.683 4.619 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 O . . . . . . . . . rr_2l2w 1
. 16 . 3086 . 1 1 12 . SG S -4.847 3.955 4.873 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 SG . . . . . . . . . rr_2l2w 1
. 16 . 3087 . 1 1 13 THR C C 0.768 1.890 1.243 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_2l2w 1
. 16 . 3088 . 1 1 13 THR CA C 0.165 1.164 2.431 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_2l2w 1
. 16 . 3089 . 1 1 13 THR CB C 0.184 -0.357 2.191 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_2l2w 1
. 16 . 3090 . 1 1 13 THR CG2 C -0.015 -1.108 3.488 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_2l2w 1
. 16 . 3091 . 1 1 13 THR H H -1.915 1.454 2.124 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_2l2w 1
. 16 . 3092 . 1 1 13 THR HA H 0.781 1.358 3.296 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_2l2w 1
. 16 . 3093 . 1 1 13 THR HB H 1.144 -0.638 1.777 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_2l2w 1
. 16 . 3094 . 1 1 13 THR HG21 H -0.389 -2.098 3.278 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_2l2w 1
. 16 . 3095 . 1 1 13 THR HG22 H -0.719 -0.576 4.111 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_2l2w 1
. 16 . 3096 . 1 1 13 THR HG23 H 0.935 -1.183 3.998 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_2l2w 1
. 16 . 3097 . 1 1 13 THR N N -1.173 1.665 2.729 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_2l2w 1
. 16 . 3098 . 1 1 13 THR OG1 O -0.908 -0.766 1.272 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_2l2w 1
. 16 . 3099 . 1 1 14 . C C 3.494 2.160 -1.041 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 C . . . . . . . . . rr_2l2w 1
. 16 . 3100 . 1 1 14 . CA C 2.203 2.384 -0.319 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CA . . . . . . . . . rr_2l2w 1
. 16 . 3101 . 1 1 14 . CB C 1.213 3.375 -0.609 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CB . . . . . . . . . rr_2l2w 1
. 16 . 3102 . 1 1 14 . HB H 1.265 4.108 -1.401 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 HB . . . . . . . . . rr_2l2w 1
. 16 . 3103 . 1 1 14 . N N 1.901 1.589 0.718 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 N . . . . . . . . . rr_2l2w 1
. 16 . 3104 . 1 1 14 . SG S -0.051 3.204 0.495 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 SG . . . . . . . . . rr_2l2w 1
. 16 . 3105 . 1 1 15 . C C 6.641 2.418 0.932 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 C . . . . . . . . . rr_2l2w 1
. 16 . 3106 . 1 1 15 . CA C 5.684 1.984 -0.110 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CA . . . . . . . . . rr_2l2w 1
. 16 . 3107 . 1 1 15 . CB C 6.162 0.989 -1.081 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CB . . . . . . . . . rr_2l2w 1
. 16 . 3108 . 1 1 15 . HB2 H 6.375 0.066 -0.565 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB2 . . . . . . . . . rr_2l2w 1
. 16 . 3109 . 1 1 15 . HB3 H 7.070 1.347 -1.547 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB3 . . . . . . . . . rr_2l2w 1
. 16 . 3110 . 1 1 15 . N N 4.520 2.526 -0.051 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 N . . . . . . . . . rr_2l2w 1
. 16 . 3111 . 1 1 16 . C C 9.896 2.244 2.373 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 C . . . . . . . . . rr_2l2w 1
. 16 . 3112 . 1 1 16 . CA C 8.516 2.548 2.053 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CA . . . . . . . . . rr_2l2w 1
. 16 . 3113 . 1 1 16 . CB C 7.730 3.466 2.820 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CB . . . . . . . . . rr_2l2w 1
. 16 . 3114 . 1 1 16 . HB H 8.068 4.013 3.688 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 HB . . . . . . . . . rr_2l2w 1
. 16 . 3115 . 1 1 16 . N N 7.858 1.991 1.010 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 N . . . . . . . . . rr_2l2w 1
. 16 . 3116 . 1 1 16 . O O 10.510 2.727 3.324 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 O . . . . . . . . . rr_2l2w 1
. 16 . 3117 . 1 1 16 . SG S 6.191 3.552 2.142 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 SG . . . . . . . . . rr_2l2w 1
. 16 . 3118 . 1 1 17 DHA C C 12.156 0.095 0.350 . . . 1.0 . . . . . . . . . . . . A . 16 DHA C . . . . . . . . . rr_2l2w 1
. 16 . 3119 . 1 1 17 DHA CA C 11.812 0.852 1.545 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CA . . . . . . . . . rr_2l2w 1
. 16 . 3120 . 1 1 17 DHA CB C 12.680 1.010 2.534 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CB . . . . . . . . . rr_2l2w 1
. 16 . 3121 . 1 1 17 DHA H H 9.871 1.105 0.759 . . . 1.0 . . . . . . . . . . . . A . 16 DHA H . . . . . . . . . rr_2l2w 1
. 16 . 3122 . 1 1 17 DHA HB1 H 12.407 1.575 3.411 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB1 . . . . . . . . . rr_2l2w 1
. 16 . 3123 . 1 1 17 DHA HB2 H 13.664 0.573 2.462 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB2 . . . . . . . . . rr_2l2w 1
. 16 . 3124 . 1 1 17 DHA N N 10.440 1.390 1.504 . . . 1.0 . . . . . . . . . . . . A . 16 DHA N . . . . . . . . . rr_2l2w 1
. 16 . 3125 . 1 1 17 DHA O O 11.288 0.003 -0.517 . . . 1.0 . . . . . . . . . . . . A . 16 DHA O . . . . . . . . . rr_2l2w 1
. 16 . 3126 . 1 1 18 DHA C C 15.222 -1.747 -0.687 . . . 1.0 . . . . . . . . . . . . A . 17 DHA C . . . . . . . . . rr_2l2w 1
. 16 . 3127 . 1 1 18 DHA CA C 13.878 -1.234 -0.901 . . . 1.0 . . . . . . . . . . . . A . 17 DHA CA . . . . . . . . . rr_2l2w 1
. 16 . 3128 . 1 1 18 DHA CB C 13.228 -1.472 -2.031 . . . 1.0 . . . . . . . . . . . . A . 17 DHA CB . . . . . . . . . rr_2l2w 1
. 16 . 3129 . 1 1 18 DHA H H 13.971 -0.337 1.007 . . . 1.0 . . . . . . . . . . . . A . 17 DHA H . . . . . . . . . rr_2l2w 1
. 16 . 3130 . 1 1 18 DHA HB1 H 12.233 -1.084 -2.178 . . . 1.0 . . . . . . . . . . . . A . 17 DHA HB1 . . . . . . . . . rr_2l2w 1
. 16 . 3131 . 1 1 18 DHA HB2 H 13.697 -2.054 -2.810 . . . 1.0 . . . . . . . . . . . . A . 17 DHA HB2 . . . . . . . . . rr_2l2w 1
. 16 . 3132 . 1 1 18 DHA N N 13.368 -0.458 0.246 . . . 1.0 . . . . . . . . . . . . A . 17 DHA N . . . . . . . . . rr_2l2w 1
. 16 . 3133 . 1 1 18 DHA O O 15.764 -1.487 0.387 . . . 1.0 . . . . . . . . . . . . A . 17 DHA O . . . . . . . . . rr_2l2w 1
. 16 . 3134 . 1 1 19 NH2 HN1 H 16.719 -2.806 -1.488 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN1 . . . . . . . . . rr_2l2w 1
. 16 . 3135 . 1 1 19 NH2 HN2 H 15.336 -2.640 -2.473 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN2 . . . . . . . . . rr_2l2w 1
. 16 . 3136 . 1 1 19 NH2 N N 15.813 -2.463 -1.637 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 N . . . . . . . . . rr_2l2w 1
. 17 . 3137 . 1 1 1 QUA C10 C -3.896 -2.476 -2.253 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C10 . . . . . . . . . rr_2l2w 1
. 17 . 3138 . 1 1 1 QUA C11 C -0.574 -1.182 0.045 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C11 . . . . . . . . . rr_2l2w 1
. 17 . 3139 . 1 1 1 QUA C13 C -2.389 -2.894 -4.277 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C13 . . . . . . . . . rr_2l2w 1
. 17 . 3140 . 1 1 1 QUA C14 C -2.346 -4.415 -4.363 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C14 . . . . . . . . . rr_2l2w 1
. 17 . 3141 . 1 1 1 QUA C2 C -1.764 -1.636 -0.742 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C2 . . . . . . . . . rr_2l2w 1
. 17 . 3142 . 1 1 1 QUA C3 C -1.539 -2.029 -2.055 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C3 . . . . . . . . . rr_2l2w 1
. 17 . 3143 . 1 1 1 QUA C4 C -2.616 -2.457 -2.829 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C4 . . . . . . . . . rr_2l2w 1
. 17 . 3144 . 1 1 1 QUA C5 C -5.091 -2.907 -2.996 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C5 . . . . . . . . . rr_2l2w 1
. 17 . 3145 . 1 1 1 QUA C6 C -6.197 -3.216 -2.391 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C6 . . . . . . . . . rr_2l2w 1
. 17 . 3146 . 1 1 1 QUA C7 C -6.330 -3.161 -0.865 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C7 . . . . . . . . . rr_2l2w 1
. 17 . 3147 . 1 1 1 QUA C8 C -5.395 -2.076 -0.261 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C8 . . . . . . . . . rr_2l2w 1
. 17 . 3148 . 1 1 1 QUA C9 C -4.026 -2.068 -0.935 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C9 . . . . . . . . . rr_2l2w 1
. 17 . 3149 . 1 1 1 QUA H13 H -3.200 -2.543 -4.894 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H13 . . . . . . . . . rr_2l2w 1
. 17 . 3150 . 1 1 1 QUA H141 H -2.156 -4.711 -5.384 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H141 . . . . . . . . . rr_2l2w 1
. 17 . 3151 . 1 1 1 QUA H142 H -3.293 -4.820 -4.040 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H142 . . . . . . . . . rr_2l2w 1
. 17 . 3152 . 1 1 1 QUA H143 H -1.558 -4.789 -3.726 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H143 . . . . . . . . . rr_2l2w 1
. 17 . 3153 . 1 1 1 QUA H15 H -0.730 -3.018 -5.338 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H15 . . . . . . . . . rr_2l2w 1
. 17 . 3154 . 1 1 1 QUA H16 H -6.709 -0.840 -1.058 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H16 . . . . . . . . . rr_2l2w 1
. 17 . 3155 . 1 1 1 QUA HC3 H -0.543 -2.001 -2.471 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC3 . . . . . . . . . rr_2l2w 1
. 17 . 3156 . 1 1 1 QUA HC5 H -5.052 -2.962 -4.072 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC5 . . . . . . . . . rr_2l2w 1
. 17 . 3157 . 1 1 1 QUA HC6 H -7.047 -3.523 -2.980 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC6 . . . . . . . . . rr_2l2w 1
. 17 . 3158 . 1 1 1 QUA HC71 H -7.350 -2.934 -0.598 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC71 . . . . . . . . . rr_2l2w 1
. 17 . 3159 . 1 1 1 QUA HC8 H -5.272 -2.288 0.792 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC8 . . . . . . . . . rr_2l2w 1
. 17 . 3160 . 1 1 1 QUA N1 N -2.993 -1.645 -0.156 . . . 1.0 . . . . . . . . . . . . A . 0 QUA N1 . . . . . . . . . rr_2l2w 1
. 17 . 3161 . 1 1 1 QUA O12 O 0.569 -1.172 -0.415 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O12 . . . . . . . . . rr_2l2w 1
. 17 . 3162 . 1 1 1 QUA O15 O -1.161 -2.360 -4.789 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O15 . . . . . . . . . rr_2l2w 1
. 17 . 3163 . 1 1 1 QUA O16 O -6.018 -0.794 -0.394 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O16 . . . . . . . . . rr_2l2w 1
. 17 . 3164 . 1 1 2 ILE C C -5.148 -4.960 1.923 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2l2w 1
. 17 . 3165 . 1 1 2 ILE CA C -6.377 -4.756 1.056 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2l2w 1
. 17 . 3166 . 1 1 2 ILE CB C -7.308 -5.978 1.201 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2l2w 1
. 17 . 3167 . 1 1 2 ILE CD1 C -7.510 -8.452 0.599 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2l2w 1
. 17 . 3168 . 1 1 2 ILE CG1 C -6.798 -7.141 0.340 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2l2w 1
. 17 . 3169 . 1 1 2 ILE CG2 C -8.732 -5.602 0.814 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2l2w 1
. 17 . 3170 . 1 1 2 ILE H H -5.035 -4.687 -0.476 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H . . . . . . . . . rr_2l2w 1
. 17 . 3171 . 1 1 2 ILE HA H -6.899 -3.887 1.410 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2l2w 1
. 17 . 3172 . 1 1 2 ILE HB H -7.311 -6.280 2.237 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2l2w 1
. 17 . 3173 . 1 1 2 ILE HD11 H -7.041 -9.236 0.022 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2l2w 1
. 17 . 3174 . 1 1 2 ILE HD12 H -8.547 -8.363 0.310 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2l2w 1
. 17 . 3175 . 1 1 2 ILE HD13 H -7.448 -8.694 1.650 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2l2w 1
. 17 . 3176 . 1 1 2 ILE HG12 H -6.933 -6.894 -0.702 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2l2w 1
. 17 . 3177 . 1 1 2 ILE HG13 H -5.747 -7.290 0.537 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2l2w 1
. 17 . 3178 . 1 1 2 ILE HG21 H -9.042 -4.737 1.382 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2l2w 1
. 17 . 3179 . 1 1 2 ILE HG22 H -9.395 -6.428 1.028 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2l2w 1
. 17 . 3180 . 1 1 2 ILE HG23 H -8.770 -5.373 -0.241 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2l2w 1
. 17 . 3181 . 1 1 2 ILE N N -5.997 -4.530 -0.369 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2l2w 1
. 17 . 3182 . 1 1 2 ILE O O -5.209 -4.829 3.146 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2l2w 1
. 17 . 3183 . 1 1 3 ALA C C -1.622 -5.671 1.021 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2l2w 1
. 17 . 3184 . 1 1 3 ALA CA C -2.792 -5.558 1.991 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2l2w 1
. 17 . 3185 . 1 1 3 ALA CB C -2.948 -6.832 2.802 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2l2w 1
. 17 . 3186 . 1 1 3 ALA H H -4.037 -5.317 0.301 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2l2w 1
. 17 . 3187 . 1 1 3 ALA HA H -2.604 -4.742 2.675 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2l2w 1
. 17 . 3188 . 1 1 3 ALA HB1 H -2.970 -7.681 2.137 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2l2w 1
. 17 . 3189 . 1 1 3 ALA HB2 H -3.875 -6.787 3.358 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2l2w 1
. 17 . 3190 . 1 1 3 ALA HB3 H -2.120 -6.929 3.487 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2l2w 1
. 17 . 3191 . 1 1 3 ALA N N -4.029 -5.274 1.280 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2l2w 1
. 17 . 3192 . 1 1 3 ALA O O -1.652 -6.480 0.095 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2l2w 1
. 17 . 3193 . 1 1 4 DHA C C 1.548 -3.742 0.954 . . . 1.0 . . . . . . . . . . . . A . 3 DHA C . . . . . . . . . rr_2l2w 1
. 17 . 3194 . 1 1 4 DHA CA C 0.567 -4.640 0.376 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CA . . . . . . . . . rr_2l2w 1
. 17 . 3195 . 1 1 4 DHA CB C 0.743 -5.162 -0.830 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CB . . . . . . . . . rr_2l2w 1
. 17 . 3196 . 1 1 4 DHA H H -0.605 -4.368 2.104 . . . 1.0 . . . . . . . . . . . . A . 3 DHA H . . . . . . . . . rr_2l2w 1
. 17 . 3197 . 1 1 4 DHA HB1 H -0.001 -5.817 -1.254 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB1 . . . . . . . . . rr_2l2w 1
. 17 . 3198 . 1 1 4 DHA HB2 H 1.632 -4.923 -1.395 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB2 . . . . . . . . . rr_2l2w 1
. 17 . 3199 . 1 1 4 DHA N N -0.591 -4.859 1.256 . . . 1.0 . . . . . . . . . . . . A . 3 DHA N . . . . . . . . . rr_2l2w 1
. 17 . 3200 . 1 1 4 DHA O O 1.311 -3.294 2.073 . . . 1.0 . . . . . . . . . . . . A . 3 DHA O . . . . . . . . . rr_2l2w 1
. 17 . 3201 . 1 1 5 ALA C C 3.958 -1.510 -0.455 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_2l2w 1
. 17 . 3202 . 1 1 5 ALA CA C 3.563 -2.403 0.715 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_2l2w 1
. 17 . 3203 . 1 1 5 ALA CB C 4.787 -3.041 1.350 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_2l2w 1
. 17 . 3204 . 1 1 5 ALA H H 2.824 -3.907 -0.571 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_2l2w 1
. 17 . 3205 . 1 1 5 ALA HA H 3.064 -1.802 1.462 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_2l2w 1
. 17 . 3206 . 1 1 5 ALA HB1 H 4.473 -3.684 2.159 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . rr_2l2w 1
. 17 . 3207 . 1 1 5 ALA HB2 H 5.438 -2.270 1.733 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_2l2w 1
. 17 . 3208 . 1 1 5 ALA HB3 H 5.313 -3.624 0.610 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_2l2w 1
. 17 . 3209 . 1 1 5 ALA N N 2.637 -3.431 0.265 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_2l2w 1
. 17 . 3210 . 1 1 5 ALA O O 4.580 -1.977 -1.408 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_2l2w 1
. 17 . 3211 . 1 1 6 SER C C 2.677 0.342 -2.566 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2l2w 1
. 17 . 3212 . 1 1 6 SER CA C 3.689 0.690 -1.579 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2l2w 1
. 17 . 3213 . 1 1 6 SER CB C 5.129 0.697 -2.173 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2l2w 1
. 17 . 3214 . 1 1 6 SER H H 3.208 0.107 0.473 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2l2w 1
. 17 . 3215 . 1 1 6 SER HB2 H 5.348 -0.262 -2.617 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2l2w 1
. 17 . 3216 . 1 1 6 SER HB3 H 5.202 1.465 -2.929 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2l2w 1
. 17 . 3217 . 1 1 6 SER N N 3.580 -0.229 -0.377 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2l2w 1
. 17 . 3218 . 1 1 7 . C C -0.580 0.684 -3.999 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 C . . . . . . . . . rr_2l2w 1
. 17 . 3219 . 1 1 7 . CA C 0.781 0.299 -3.682 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CA . . . . . . . . . rr_2l2w 1
. 17 . 3220 . 1 1 7 . CB C 1.493 -0.691 -4.424 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CB . . . . . . . . . rr_2l2w 1
. 17 . 3221 . 1 1 7 . HB H 1.112 -1.242 -5.271 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 HB . . . . . . . . . rr_2l2w 1
. 17 . 3222 . 1 1 7 . N N 1.484 0.838 -2.664 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 N . . . . . . . . . rr_2l2w 1
. 17 . 3223 . 1 1 7 . O O -1.233 0.236 -4.942 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 O . . . . . . . . . rr_2l2w 1
. 17 . 3224 . 1 1 7 . SG S 3.028 -0.858 -3.752 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 SG . . . . . . . . . rr_2l2w 1
. 17 . 3225 . 1 1 8 THR C C -2.512 3.573 -3.014 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2l2w 1
. 17 . 3226 . 1 1 8 THR CA C -2.446 2.065 -3.246 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2l2w 1
. 17 . 3227 . 1 1 8 THR CB C -3.380 1.352 -2.245 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2l2w 1
. 17 . 3228 . 1 1 8 THR CG2 C -2.930 1.582 -0.808 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2l2w 1
. 17 . 3229 . 1 1 8 THR H H -0.503 1.907 -2.417 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2l2w 1
. 17 . 3230 . 1 1 8 THR HA H -2.799 1.852 -4.246 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2l2w 1
. 17 . 3231 . 1 1 8 THR HB H -3.354 0.292 -2.448 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2l2w 1
. 17 . 3232 . 1 1 8 THR HG1 H -4.880 2.560 -1.812 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2l2w 1
. 17 . 3233 . 1 1 8 THR HG21 H -3.129 2.605 -0.524 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2l2w 1
. 17 . 3234 . 1 1 8 THR HG22 H -1.872 1.385 -0.726 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2l2w 1
. 17 . 3235 . 1 1 8 THR HG23 H -3.471 0.915 -0.152 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2l2w 1
. 17 . 3236 . 1 1 8 THR N N -1.075 1.574 -3.139 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2l2w 1
. 17 . 3237 . 1 1 8 THR O O -1.516 4.201 -2.658 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2l2w 1
. 17 . 3238 . 1 1 8 THR OG1 O -4.724 1.822 -2.407 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2l2w 1
. 17 . 3239 . 1 1 9 DBU C C -4.885 5.910 -1.924 . . . 1.0 . . . . . . . . . . . . A . 8 DBU C . . . . . . . . . rr_2l2w 1
. 17 . 3240 . 1 1 9 DBU CA C -3.987 5.573 -3.056 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CA . . . . . . . . . rr_2l2w 1
. 17 . 3241 . 1 1 9 DBU CB C -3.510 6.535 -3.843 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CB . . . . . . . . . rr_2l2w 1
. 17 . 3242 . 1 1 9 DBU CG C -2.580 6.258 -5.035 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CG . . . . . . . . . rr_2l2w 1
. 17 . 3243 . 1 1 9 DBU HG1 H -3.065 5.579 -5.720 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG1 . . . . . . . . . rr_2l2w 1
. 17 . 3244 . 1 1 9 DBU HG2 H -1.660 5.818 -4.681 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG2 . . . . . . . . . rr_2l2w 1
. 17 . 3245 . 1 1 9 DBU HG3 H -2.362 7.186 -5.543 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG3 . . . . . . . . . rr_2l2w 1
. 17 . 3246 . 1 1 9 DBU N N -3.695 4.145 -3.221 . . . 1.0 . . . . . . . . . . . . A . 8 DBU N . . . . . . . . . rr_2l2w 1
. 17 . 3247 . 1 1 10 . C C -6.156 4.935 1.270 . . . 1.0 . . . . . . . . . . . . A . 9 DCY C . . . . . . . . . rr_2l2w 1
. 17 . 3248 . 1 1 10 . CA C -6.235 5.613 -0.083 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CA . . . . . . . . . rr_2l2w 1
. 17 . 3249 . 1 1 10 . CB C -5.854 7.088 0.038 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CB . . . . . . . . . rr_2l2w 1
. 17 . 3250 . 1 1 10 . HA H -7.255 5.561 -0.430 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HA . . . . . . . . . rr_2l2w 1
. 17 . 3251 . 1 1 10 . HB2 H -6.709 7.670 0.369 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB2 . . . . . . . . . rr_2l2w 1
. 17 . 3252 . 1 1 10 . HB3 H -5.021 7.214 0.705 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB3 . . . . . . . . . rr_2l2w 1
. 17 . 3253 . 1 1 10 . N N -5.366 5.010 -1.106 . . . 1.0 . . . . . . . . . . . . A . 9 DCY N . . . . . . . . . rr_2l2w 1
. 17 . 3254 . 1 1 10 . O O -6.134 5.643 2.278 . . . 1.0 . . . . . . . . . . . . A . 9 DCY O . . . . . . . . . rr_2l2w 1
. 17 . 3255 . 1 1 10 . SG S -5.359 7.549 -1.626 . . . 1.0 . . . . . . . . . . . . A . 9 DCY SG . . . . . . . . . rr_2l2w 1
. 17 . 3256 . 1 1 11 . C C -4.933 2.997 3.378 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 C . . . . . . . . . rr_2l2w 1
. 17 . 3257 . 1 1 11 . CA C -6.234 2.885 2.580 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CA . . . . . . . . . rr_2l2w 1
. 17 . 3258 . 1 1 11 . CB C -6.632 1.387 2.346 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CB . . . . . . . . . rr_2l2w 1
. 17 . 3259 . 1 1 11 . CD1 C -8.527 0.020 1.167 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CD1 . . . . . . . . . rr_2l2w 1
. 17 . 3260 . 1 1 11 . CG1 C -7.859 1.375 1.368 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG1 . . . . . . . . . rr_2l2w 1
. 17 . 3261 . 1 1 11 . CG2 C -6.981 0.721 3.642 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG2 . . . . . . . . . rr_2l2w 1
. 17 . 3262 . 1 1 11 . H H -6.003 3.098 0.481 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 H . . . . . . . . . rr_2l2w 1
. 17 . 3263 . 1 1 11 . HA H -7.023 3.364 3.143 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HA . . . . . . . . . rr_2l2w 1
. 17 . 3264 . 1 1 11 . HD11 H -9.102 0.034 0.254 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD11 . . . . . . . . . rr_2l2w 1
. 17 . 3265 . 1 1 11 . HD12 H -9.181 -0.184 2.001 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD12 . . . . . . . . . rr_2l2w 1
. 17 . 3266 . 1 1 11 . HD13 H -7.772 -0.750 1.107 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD13 . . . . . . . . . rr_2l2w 1
. 17 . 3267 . 1 1 11 . HD2 H -9.493 2.477 1.262 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD2 . . . . . . . . . rr_2l2w 1
. 17 . 3268 . 1 1 11 . HG1 H -7.547 1.741 0.401 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG1 . . . . . . . . . rr_2l2w 1
. 17 . 3269 . 1 1 11 . HG21 H -7.138 -0.333 3.476 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG21 . . . . . . . . . rr_2l2w 1
. 17 . 3270 . 1 1 11 . HG22 H -7.885 1.161 4.038 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG22 . . . . . . . . . rr_2l2w 1
. 17 . 3271 . 1 1 11 . HG23 H -6.177 0.857 4.348 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG23 . . . . . . . . . rr_2l2w 1
. 17 . 3272 . 1 1 11 . HG3 H -5.022 0.275 2.415 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG3 . . . . . . . . . rr_2l2w 1
. 17 . 3273 . 1 1 11 . N N -6.116 3.605 1.314 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 N . . . . . . . . . rr_2l2w 1
. 17 . 3274 . 1 1 11 . OD2 O -8.818 2.288 1.918 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OD2 . . . . . . . . . rr_2l2w 1
. 17 . 3275 . 1 1 11 . OG3 O -5.548 0.708 1.739 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OG3 . . . . . . . . . rr_2l2w 1
. 17 . 3276 . 1 1 12 . C C -1.449 2.330 3.836 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 C . . . . . . . . . rr_2l2w 1
. 17 . 3277 . 1 1 12 . CA C -2.829 2.762 3.951 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CA . . . . . . . . . rr_2l2w 1
. 17 . 3278 . 1 1 12 . CB C -3.284 3.523 5.071 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CB . . . . . . . . . rr_2l2w 1
. 17 . 3279 . 1 1 12 . HB H -2.676 3.838 5.907 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 HB . . . . . . . . . rr_2l2w 1
. 17 . 3280 . 1 1 12 . N N -3.788 2.494 3.032 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 N . . . . . . . . . rr_2l2w 1
. 17 . 3281 . 1 1 12 . O O -0.581 2.575 4.674 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 O . . . . . . . . . rr_2l2w 1
. 17 . 3282 . 1 1 12 . SG S -4.922 3.845 4.873 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 SG . . . . . . . . . rr_2l2w 1
. 17 . 3283 . 1 1 13 THR C C 0.761 1.873 1.262 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_2l2w 1
. 17 . 3284 . 1 1 13 THR CA C 0.150 1.139 2.444 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_2l2w 1
. 17 . 3285 . 1 1 13 THR CB C 0.177 -0.380 2.196 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_2l2w 1
. 17 . 3286 . 1 1 13 THR CG2 C -0.025 -1.140 3.488 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_2l2w 1
. 17 . 3287 . 1 1 13 THR H H -1.923 1.447 2.099 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_2l2w 1
. 17 . 3288 . 1 1 13 THR HA H 0.756 1.333 3.315 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_2l2w 1
. 17 . 3289 . 1 1 13 THR HB H 1.137 -0.655 1.782 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_2l2w 1
. 17 . 3290 . 1 1 13 THR HG21 H -0.744 -0.621 4.104 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_2l2w 1
. 17 . 3291 . 1 1 13 THR HG22 H 0.920 -1.205 4.007 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_2l2w 1
. 17 . 3292 . 1 1 13 THR HG23 H -0.386 -2.133 3.269 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_2l2w 1
. 17 . 3293 . 1 1 13 THR N N -1.197 1.633 2.730 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_2l2w 1
. 17 . 3294 . 1 1 13 THR OG1 O -0.913 -0.785 1.273 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_2l2w 1
. 17 . 3295 . 1 1 14 . C C 3.487 2.149 -1.027 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 C . . . . . . . . . rr_2l2w 1
. 17 . 3296 . 1 1 14 . CA C 2.199 2.372 -0.297 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CA . . . . . . . . . rr_2l2w 1
. 17 . 3297 . 1 1 14 . CB C 1.217 3.375 -0.574 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CB . . . . . . . . . rr_2l2w 1
. 17 . 3298 . 1 1 14 . HB H 1.274 4.117 -1.358 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 HB . . . . . . . . . rr_2l2w 1
. 17 . 3299 . 1 1 14 . N N 1.892 1.568 0.733 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 N . . . . . . . . . rr_2l2w 1
. 17 . 3300 . 1 1 14 . SG S -0.046 3.202 0.529 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 SG . . . . . . . . . rr_2l2w 1
. 17 . 3301 . 1 1 15 . C C 6.660 2.431 0.904 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 C . . . . . . . . . rr_2l2w 1
. 17 . 3302 . 1 1 15 . CA C 5.690 1.985 -0.117 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CA . . . . . . . . . rr_2l2w 1
. 17 . 3303 . 1 1 15 . CB C 6.158 0.980 -1.083 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CB . . . . . . . . . rr_2l2w 1
. 17 . 3304 . 1 1 15 . HB2 H 6.367 0.060 -0.562 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB2 . . . . . . . . . rr_2l2w 1
. 17 . 3305 . 1 1 15 . HB3 H 7.066 1.330 -1.556 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB3 . . . . . . . . . rr_2l2w 1
. 17 . 3306 . 1 1 15 . N N 4.524 2.526 -0.050 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 N . . . . . . . . . rr_2l2w 1
. 17 . 3307 . 1 1 16 . C C 9.940 2.285 2.290 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 C . . . . . . . . . rr_2l2w 1
. 17 . 3308 . 1 1 16 . CA C 8.552 2.577 1.992 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CA . . . . . . . . . rr_2l2w 1
. 17 . 3309 . 1 1 16 . CB C 7.777 3.501 2.764 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CB . . . . . . . . . rr_2l2w 1
. 17 . 3310 . 1 1 16 . HB H 8.129 4.056 3.621 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 HB . . . . . . . . . rr_2l2w 1
. 17 . 3311 . 1 1 16 . N N 7.879 2.009 0.966 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 N . . . . . . . . . rr_2l2w 1
. 17 . 3312 . 1 1 16 . O O 10.569 2.785 3.222 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 O . . . . . . . . . rr_2l2w 1
. 17 . 3313 . 1 1 16 . SG S 6.225 3.574 2.112 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 SG . . . . . . . . . rr_2l2w 1
. 17 . 3314 . 1 1 17 DHA C C 12.099 -0.085 0.403 . . . 1.0 . . . . . . . . . . . . A . 16 DHA C . . . . . . . . . rr_2l2w 1
. 17 . 3315 . 1 1 17 DHA CA C 11.860 0.923 1.423 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CA . . . . . . . . . rr_2l2w 1
. 17 . 3316 . 1 1 17 DHA CB C 12.832 1.327 2.229 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CB . . . . . . . . . rr_2l2w 1
. 17 . 3317 . 1 1 17 DHA H H 9.863 1.044 0.756 . . . 1.0 . . . . . . . . . . . . A . 16 DHA H . . . . . . . . . rr_2l2w 1
. 17 . 3318 . 1 1 17 DHA HB1 H 12.638 2.076 2.980 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB1 . . . . . . . . . rr_2l2w 1
. 17 . 3319 . 1 1 17 DHA HB2 H 13.822 0.907 2.134 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB2 . . . . . . . . . rr_2l2w 1
. 17 . 3320 . 1 1 17 DHA N N 10.467 1.405 1.437 . . . 1.0 . . . . . . . . . . . . A . 16 DHA N . . . . . . . . . rr_2l2w 1
. 17 . 3321 . 1 1 17 DHA O O 11.142 -0.405 -0.301 . . . 1.0 . . . . . . . . . . . . A . 16 DHA O . . . . . . . . . rr_2l2w 1
. 17 . 3322 . 1 1 18 DHA C C 15.163 -1.853 -0.747 . . . 1.0 . . . . . . . . . . . . A . 17 DHA C . . . . . . . . . rr_2l2w 1
. 17 . 3323 . 1 1 18 DHA CA C 13.726 -1.642 -0.706 . . . 1.0 . . . . . . . . . . . . A . 17 DHA CA . . . . . . . . . rr_2l2w 1
. 17 . 3324 . 1 1 18 DHA CB C 12.908 -2.337 -1.484 . . . 1.0 . . . . . . . . . . . . A . 17 DHA CB . . . . . . . . . rr_2l2w 1
. 17 . 3325 . 1 1 18 DHA H H 14.020 -0.246 0.850 . . . 1.0 . . . . . . . . . . . . A . 17 DHA H . . . . . . . . . rr_2l2w 1
. 17 . 3326 . 1 1 18 DHA HB1 H 11.843 -2.168 -1.443 . . . 1.0 . . . . . . . . . . . . A . 17 DHA HB1 . . . . . . . . . rr_2l2w 1
. 17 . 3327 . 1 1 18 DHA HB2 H 13.308 -3.077 -2.162 . . . 1.0 . . . . . . . . . . . . A . 17 DHA HB2 . . . . . . . . . rr_2l2w 1
. 17 . 3328 . 1 1 18 DHA N N 13.324 -0.604 0.260 . . . 1.0 . . . . . . . . . . . . A . 17 DHA N . . . . . . . . . rr_2l2w 1
. 17 . 3329 . 1 1 18 DHA O O 15.861 -1.168 0.002 . . . 1.0 . . . . . . . . . . . . A . 17 DHA O . . . . . . . . . rr_2l2w 1
. 17 . 3330 . 1 1 19 NH2 HN1 H 16.641 -2.896 -1.602 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN1 . . . . . . . . . rr_2l2w 1
. 17 . 3331 . 1 1 19 NH2 HN2 H 15.070 -3.274 -2.153 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN2 . . . . . . . . . rr_2l2w 1
. 17 . 3332 . 1 1 19 NH2 N N 15.671 -2.758 -1.577 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 N . . . . . . . . . rr_2l2w 1
. 18 . 3333 . 1 1 1 QUA C10 C -3.821 -2.554 -2.264 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C10 . . . . . . . . . rr_2l2w 1
. 18 . 3334 . 1 1 1 QUA C11 C -0.545 -1.190 0.058 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C11 . . . . . . . . . rr_2l2w 1
. 18 . 3335 . 1 1 1 QUA C13 C -2.291 -2.940 -4.273 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C13 . . . . . . . . . rr_2l2w 1
. 18 . 3336 . 1 1 1 QUA C14 C -2.201 -4.457 -4.356 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C14 . . . . . . . . . rr_2l2w 1
. 18 . 3337 . 1 1 1 QUA C2 C -1.720 -1.669 -0.736 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C2 . . . . . . . . . rr_2l2w 1
. 18 . 3338 . 1 1 1 QUA C3 C -1.476 -2.057 -2.045 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C3 . . . . . . . . . rr_2l2w 1
. 18 . 3339 . 1 1 1 QUA C4 C -2.539 -2.508 -2.828 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C4 . . . . . . . . . rr_2l2w 1
. 18 . 3340 . 1 1 1 QUA C5 C -5.000 -3.009 -3.016 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C5 . . . . . . . . . rr_2l2w 1
. 18 . 3341 . 1 1 1 QUA C6 C -6.106 -3.336 -2.424 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C6 . . . . . . . . . rr_2l2w 1
. 18 . 3342 . 1 1 1 QUA C7 C -6.264 -3.276 -0.901 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C7 . . . . . . . . . rr_2l2w 1
. 18 . 3343 . 1 1 1 QUA C8 C -5.346 -2.182 -0.283 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C8 . . . . . . . . . rr_2l2w 1
. 18 . 3344 . 1 1 1 QUA C9 C -3.972 -2.148 -0.946 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C9 . . . . . . . . . rr_2l2w 1
. 18 . 3345 . 1 1 1 QUA H13 H -3.110 -2.614 -4.894 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H13 . . . . . . . . . rr_2l2w 1
. 18 . 3346 . 1 1 1 QUA H141 H -1.381 -4.803 -3.745 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H141 . . . . . . . . . rr_2l2w 1
. 18 . 3347 . 1 1 1 QUA H142 H -2.035 -4.751 -5.382 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H142 . . . . . . . . . rr_2l2w 1
. 18 . 3348 . 1 1 1 QUA H143 H -3.123 -4.893 -4.001 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H143 . . . . . . . . . rr_2l2w 1
. 18 . 3349 . 1 1 1 QUA H15 H -0.783 -2.871 -5.544 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H15 . . . . . . . . . rr_2l2w 1
. 18 . 3350 . 1 1 1 QUA H16 H -5.984 -0.638 -1.332 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H16 . . . . . . . . . rr_2l2w 1
. 18 . 3351 . 1 1 1 QUA HC3 H -0.477 -2.011 -2.453 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC3 . . . . . . . . . rr_2l2w 1
. 18 . 3352 . 1 1 1 QUA HC5 H -4.946 -3.070 -4.092 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC5 . . . . . . . . . rr_2l2w 1
. 18 . 3353 . 1 1 1 QUA HC6 H -6.943 -3.662 -3.024 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC6 . . . . . . . . . rr_2l2w 1
. 18 . 3354 . 1 1 1 QUA HC71 H -7.289 -3.052 -0.652 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC71 . . . . . . . . . rr_2l2w 1
. 18 . 3355 . 1 1 1 QUA HC8 H -5.229 -2.398 0.769 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC8 . . . . . . . . . rr_2l2w 1
. 18 . 3356 . 1 1 1 QUA N1 N -2.953 -1.704 -0.159 . . . 1.0 . . . . . . . . . . . . A . 0 QUA N1 . . . . . . . . . rr_2l2w 1
. 18 . 3357 . 1 1 1 QUA O12 O 0.602 -1.169 -0.391 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O12 . . . . . . . . . rr_2l2w 1
. 18 . 3358 . 1 1 1 QUA O15 O -1.078 -2.370 -4.780 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O15 . . . . . . . . . rr_2l2w 1
. 18 . 3359 . 1 1 1 QUA O16 O -5.987 -0.907 -0.410 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O16 . . . . . . . . . rr_2l2w 1
. 18 . 3360 . 1 1 2 ILE C C -5.092 -5.041 1.910 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2l2w 1
. 18 . 3361 . 1 1 2 ILE CA C -6.318 -4.844 1.039 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2l2w 1
. 18 . 3362 . 1 1 2 ILE CB C -7.262 -6.053 1.206 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2l2w 1
. 18 . 3363 . 1 1 2 ILE CD1 C -7.419 -8.573 0.832 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2l2w 1
. 18 . 3364 . 1 1 2 ILE CG1 C -6.683 -7.290 0.506 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2l2w 1
. 18 . 3365 . 1 1 2 ILE CG2 C -8.641 -5.719 0.655 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2l2w 1
. 18 . 3366 . 1 1 2 ILE H H -4.977 -4.804 -0.496 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H . . . . . . . . . rr_2l2w 1
. 18 . 3367 . 1 1 2 ILE HA H -6.832 -3.966 1.378 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2l2w 1
. 18 . 3368 . 1 1 2 ILE HB H -7.363 -6.259 2.261 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2l2w 1
. 18 . 3369 . 1 1 2 ILE HD11 H -7.452 -8.706 1.904 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2l2w 1
. 18 . 3370 . 1 1 2 ILE HD12 H -6.904 -9.407 0.381 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2l2w 1
. 18 . 3371 . 1 1 2 ILE HD13 H -8.426 -8.521 0.445 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2l2w 1
. 18 . 3372 . 1 1 2 ILE HG12 H -6.731 -7.145 -0.562 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2l2w 1
. 18 . 3373 . 1 1 2 ILE HG13 H -5.652 -7.416 0.801 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2l2w 1
. 18 . 3374 . 1 1 2 ILE HG21 H -9.324 -6.527 0.876 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2l2w 1
. 18 . 3375 . 1 1 2 ILE HG22 H -8.578 -5.583 -0.414 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2l2w 1
. 18 . 3376 . 1 1 2 ILE HG23 H -9.000 -4.810 1.114 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2l2w 1
. 18 . 3377 . 1 1 2 ILE N N -5.937 -4.642 -0.390 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2l2w 1
. 18 . 3378 . 1 1 2 ILE O O -5.157 -4.910 3.132 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2l2w 1
. 18 . 3379 . 1 1 3 ALA C C -1.566 -5.745 1.022 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2l2w 1
. 18 . 3380 . 1 1 3 ALA CA C -2.741 -5.644 1.986 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2l2w 1
. 18 . 3381 . 1 1 3 ALA CB C -2.905 -6.927 2.782 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2l2w 1
. 18 . 3382 . 1 1 3 ALA H H -3.971 -5.375 0.292 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2l2w 1
. 18 . 3383 . 1 1 3 ALA HA H -2.556 -4.836 2.681 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2l2w 1
. 18 . 3384 . 1 1 3 ALA HB1 H -3.790 -6.849 3.398 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2l2w 1
. 18 . 3385 . 1 1 3 ALA HB2 H -2.039 -7.078 3.407 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2l2w 1
. 18 . 3386 . 1 1 3 ALA HB3 H -3.013 -7.758 2.103 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2l2w 1
. 18 . 3387 . 1 1 3 ALA N N -3.970 -5.348 1.271 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2l2w 1
. 18 . 3388 . 1 1 3 ALA O O -1.560 -6.587 0.124 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2l2w 1
. 18 . 3389 . 1 1 4 DHA C C 1.554 -3.749 0.931 . . . 1.0 . . . . . . . . . . . . A . 3 DHA C . . . . . . . . . rr_2l2w 1
. 18 . 3390 . 1 1 4 DHA CA C 0.577 -4.645 0.346 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CA . . . . . . . . . rr_2l2w 1
. 18 . 3391 . 1 1 4 DHA CB C 0.745 -5.147 -0.869 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CB . . . . . . . . . rr_2l2w 1
. 18 . 3392 . 1 1 4 DHA H H -0.604 -4.372 2.066 . . . 1.0 . . . . . . . . . . . . A . 3 DHA H . . . . . . . . . rr_2l2w 1
. 18 . 3393 . 1 1 4 DHA HB1 H 0.000 -5.799 -1.297 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB1 . . . . . . . . . rr_2l2w 1
. 18 . 3394 . 1 1 4 DHA HB2 H 1.625 -4.893 -1.440 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB2 . . . . . . . . . rr_2l2w 1
. 18 . 3395 . 1 1 4 DHA N N -0.571 -4.885 1.232 . . . 1.0 . . . . . . . . . . . . A . 3 DHA N . . . . . . . . . rr_2l2w 1
. 18 . 3396 . 1 1 4 DHA O O 1.320 -3.318 2.059 . . . 1.0 . . . . . . . . . . . . A . 3 DHA O . . . . . . . . . rr_2l2w 1
. 18 . 3397 . 1 1 5 ALA C C 3.935 -1.494 -0.482 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_2l2w 1
. 18 . 3398 . 1 1 5 ALA CA C 3.545 -2.380 0.689 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_2l2w 1
. 18 . 3399 . 1 1 5 ALA CB C 4.772 -2.996 1.339 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_2l2w 1
. 18 . 3400 . 1 1 5 ALA H H 2.825 -3.893 -0.598 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_2l2w 1
. 18 . 3401 . 1 1 5 ALA HA H 3.033 -1.781 1.428 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_2l2w 1
. 18 . 3402 . 1 1 5 ALA HB1 H 5.324 -3.564 0.604 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . rr_2l2w 1
. 18 . 3403 . 1 1 5 ALA HB2 H 4.462 -3.651 2.141 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_2l2w 1
. 18 . 3404 . 1 1 5 ALA HB3 H 5.401 -2.214 1.737 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_2l2w 1
. 18 . 3405 . 1 1 5 ALA N N 2.634 -3.422 0.240 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_2l2w 1
. 18 . 3406 . 1 1 5 ALA O O 4.567 -1.960 -1.430 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_2l2w 1
. 18 . 3407 . 1 1 6 SER C C 2.630 0.349 -2.600 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2l2w 1
. 18 . 3408 . 1 1 6 SER CA C 3.648 0.697 -1.619 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2l2w 1
. 18 . 3409 . 1 1 6 SER CB C 5.086 0.701 -2.219 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2l2w 1
. 18 . 3410 . 1 1 6 SER H H 3.157 0.118 0.429 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2l2w 1
. 18 . 3411 . 1 1 6 SER HB2 H 5.302 -0.256 -2.665 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2l2w 1
. 18 . 3412 . 1 1 6 SER HB3 H 5.160 1.473 -2.971 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2l2w 1
. 18 . 3413 . 1 1 6 SER N N 3.541 -0.217 -0.415 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2l2w 1
. 18 . 3414 . 1 1 7 . C C -0.657 0.670 -3.949 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 C . . . . . . . . . rr_2l2w 1
. 18 . 3415 . 1 1 7 . CA C 0.717 0.297 -3.679 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CA . . . . . . . . . rr_2l2w 1
. 18 . 3416 . 1 1 7 . CB C 1.432 -0.657 -4.463 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CB . . . . . . . . . rr_2l2w 1
. 18 . 3417 . 1 1 7 . HB H 1.045 -1.192 -5.317 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 HB . . . . . . . . . rr_2l2w 1
. 18 . 3418 . 1 1 7 . N N 1.428 0.821 -2.662 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 N . . . . . . . . . rr_2l2w 1
. 18 . 3419 . 1 1 7 . O O -1.330 0.245 -4.889 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 O . . . . . . . . . rr_2l2w 1
. 18 . 3420 . 1 1 7 . SG S 2.984 -0.810 -3.825 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 SG . . . . . . . . . rr_2l2w 1
. 18 . 3421 . 1 1 8 THR C C -2.510 3.544 -2.855 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2l2w 1
. 18 . 3422 . 1 1 8 THR CA C -2.493 2.038 -3.105 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2l2w 1
. 18 . 3423 . 1 1 8 THR CB C -3.410 1.340 -2.079 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2l2w 1
. 18 . 3424 . 1 1 8 THR CG2 C -2.891 1.528 -0.658 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2l2w 1
. 18 . 3425 . 1 1 8 THR H H -0.549 1.805 -2.307 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2l2w 1
. 18 . 3426 . 1 1 8 THR HA H -2.882 1.843 -4.095 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2l2w 1
. 18 . 3427 . 1 1 8 THR HB H -3.429 0.284 -2.301 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2l2w 1
. 18 . 3428 . 1 1 8 THR HG1 H -4.960 2.007 -3.100 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2l2w 1
. 18 . 3429 . 1 1 8 THR HG21 H -2.997 2.562 -0.367 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2l2w 1
. 18 . 3430 . 1 1 8 THR HG22 H -1.851 1.247 -0.615 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2l2w 1
. 18 . 3431 . 1 1 8 THR HG23 H -3.460 0.905 0.018 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2l2w 1
. 18 . 3432 . 1 1 8 THR N N -1.133 1.520 -3.042 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2l2w 1
. 18 . 3433 . 1 1 8 THR O O -1.510 4.120 -2.427 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2l2w 1
. 18 . 3434 . 1 1 8 THR OG1 O -4.742 1.859 -2.177 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2l2w 1
. 18 . 3435 . 1 1 9 DBU C C -4.824 5.990 -1.885 . . . 1.0 . . . . . . . . . . . . A . 8 DBU C . . . . . . . . . rr_2l2w 1
. 18 . 3436 . 1 1 9 DBU CA C -3.871 5.615 -2.959 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CA . . . . . . . . . rr_2l2w 1
. 18 . 3437 . 1 1 9 DBU CB C -3.286 6.556 -3.696 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CB . . . . . . . . . rr_2l2w 1
. 18 . 3438 . 1 1 9 DBU CG C -2.292 6.238 -4.824 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CG . . . . . . . . . rr_2l2w 1
. 18 . 3439 . 1 1 9 DBU HG1 H -1.427 5.739 -4.411 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG1 . . . . . . . . . rr_2l2w 1
. 18 . 3440 . 1 1 9 DBU HG2 H -1.984 7.155 -5.302 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG2 . . . . . . . . . rr_2l2w 1
. 18 . 3441 . 1 1 9 DBU HG3 H -2.765 5.594 -5.551 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG3 . . . . . . . . . rr_2l2w 1
. 18 . 3442 . 1 1 9 DBU N N -3.647 4.175 -3.123 . . . 1.0 . . . . . . . . . . . . A . 8 DBU N . . . . . . . . . rr_2l2w 1
. 18 . 3443 . 1 1 10 . C C -6.338 5.057 1.207 . . . 1.0 . . . . . . . . . . . . A . 9 DCY C . . . . . . . . . rr_2l2w 1
. 18 . 3444 . 1 1 10 . CA C -6.306 5.746 -0.142 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CA . . . . . . . . . rr_2l2w 1
. 18 . 3445 . 1 1 10 . CB C -5.873 7.201 0.016 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CB . . . . . . . . . rr_2l2w 1
. 18 . 3446 . 1 1 10 . HA H -7.304 5.738 -0.551 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HA . . . . . . . . . rr_2l2w 1
. 18 . 3447 . 1 1 10 . HB2 H -6.724 7.819 0.286 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB2 . . . . . . . . . rr_2l2w 1
. 18 . 3448 . 1 1 10 . HB3 H -5.088 7.289 0.746 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB3 . . . . . . . . . rr_2l2w 1
. 18 . 3449 . 1 1 10 . N N -5.403 5.109 -1.112 . . . 1.0 . . . . . . . . . . . . A . 9 DCY N . . . . . . . . . rr_2l2w 1
. 18 . 3450 . 1 1 10 . O O -6.592 5.736 2.202 . . . 1.0 . . . . . . . . . . . . A . 9 DCY O . . . . . . . . . rr_2l2w 1
. 18 . 3451 . 1 1 10 . SG S -5.233 7.648 -1.603 . . . 1.0 . . . . . . . . . . . . A . 9 DCY SG . . . . . . . . . rr_2l2w 1
. 18 . 3452 . 1 1 11 . C C -4.935 3.090 3.320 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 C . . . . . . . . . rr_2l2w 1
. 18 . 3453 . 1 1 11 . CA C -6.230 3.005 2.508 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CA . . . . . . . . . rr_2l2w 1
. 18 . 3454 . 1 1 11 . CB C -6.642 1.517 2.233 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CB . . . . . . . . . rr_2l2w 1
. 18 . 3455 . 1 1 11 . CD1 C -8.583 0.197 1.070 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CD1 . . . . . . . . . rr_2l2w 1
. 18 . 3456 . 1 1 11 . CG1 C -7.940 1.549 1.348 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG1 . . . . . . . . . rr_2l2w 1
. 18 . 3457 . 1 1 11 . CG2 C -6.895 0.788 3.517 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG2 . . . . . . . . . rr_2l2w 1
. 18 . 3458 . 1 1 11 . H H -5.815 3.279 0.447 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 H . . . . . . . . . rr_2l2w 1
. 18 . 3459 . 1 1 11 . HA H -7.020 3.478 3.073 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HA . . . . . . . . . rr_2l2w 1
. 18 . 3460 . 1 1 11 . HD11 H -9.174 -0.103 1.923 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD11 . . . . . . . . . rr_2l2w 1
. 18 . 3461 . 1 1 11 . HD12 H -7.815 -0.538 0.891 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD12 . . . . . . . . . rr_2l2w 1
. 18 . 3462 . 1 1 11 . HD13 H -9.220 0.272 0.201 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD13 . . . . . . . . . rr_2l2w 1
. 18 . 3463 . 1 1 11 . HD2 H -9.250 1.883 2.785 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD2 . . . . . . . . . rr_2l2w 1
. 18 . 3464 . 1 1 11 . HG1 H -7.712 2.013 0.401 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG1 . . . . . . . . . rr_2l2w 1
. 18 . 3465 . 1 1 11 . HG21 H -7.710 1.259 4.045 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG21 . . . . . . . . . rr_2l2w 1
. 18 . 3466 . 1 1 11 . HG22 H -6.006 0.815 4.130 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG22 . . . . . . . . . rr_2l2w 1
. 18 . 3467 . 1 1 11 . HG23 H -7.151 -0.240 3.305 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG23 . . . . . . . . . rr_2l2w 1
. 18 . 3468 . 1 1 11 . HG3 H -5.370 0.055 1.958 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG3 . . . . . . . . . rr_2l2w 1
. 18 . 3469 . 1 1 11 . N N -6.093 3.750 1.260 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 N . . . . . . . . . rr_2l2w 1
. 18 . 3470 . 1 1 11 . OD2 O -8.879 2.375 2.049 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OD2 . . . . . . . . . rr_2l2w 1
. 18 . 3471 . 1 1 11 . OG3 O -5.607 0.872 1.514 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OG3 . . . . . . . . . rr_2l2w 1
. 18 . 3472 . 1 1 12 . C C -1.467 2.365 3.818 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 C . . . . . . . . . rr_2l2w 1
. 18 . 3473 . 1 1 12 . CA C -2.841 2.819 3.917 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CA . . . . . . . . . rr_2l2w 1
. 18 . 3474 . 1 1 12 . CB C -3.299 3.581 5.036 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CB . . . . . . . . . rr_2l2w 1
. 18 . 3475 . 1 1 12 . HB H -2.696 3.881 5.880 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 HB . . . . . . . . . rr_2l2w 1
. 18 . 3476 . 1 1 12 . N N -3.794 2.570 2.985 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 N . . . . . . . . . rr_2l2w 1
. 18 . 3477 . 1 1 12 . O O -0.603 2.601 4.664 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 O . . . . . . . . . rr_2l2w 1
. 18 . 3478 . 1 1 12 . SG S -4.928 3.932 4.819 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 SG . . . . . . . . . rr_2l2w 1
. 18 . 3479 . 1 1 13 THR C C 0.736 1.893 1.241 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_2l2w 1
. 18 . 3480 . 1 1 13 THR CA C 0.136 1.168 2.434 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_2l2w 1
. 18 . 3481 . 1 1 13 THR CB C 0.178 -0.355 2.204 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_2l2w 1
. 18 . 3482 . 1 1 13 THR CG2 C -0.025 -1.107 3.501 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_2l2w 1
. 18 . 3483 . 1 1 13 THR H H -1.940 1.456 2.094 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_2l2w 1
. 18 . 3484 . 1 1 13 THR HA H 0.744 1.377 3.302 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_2l2w 1
. 18 . 3485 . 1 1 13 THR HB H 1.144 -0.626 1.800 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_2l2w 1
. 18 . 3486 . 1 1 13 THR HG21 H -0.357 -2.110 3.285 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_2l2w 1
. 18 . 3487 . 1 1 13 THR HG22 H -0.766 -0.599 4.101 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_2l2w 1
. 18 . 3488 . 1 1 13 THR HG23 H 0.913 -1.144 4.035 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_2l2w 1
. 18 . 3489 . 1 1 13 THR N N -1.212 1.656 2.719 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_2l2w 1
. 18 . 3490 . 1 1 13 THR OG1 O -0.900 -0.781 1.276 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_2l2w 1
. 18 . 3491 . 1 1 14 . C C 3.450 2.157 -1.069 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 C . . . . . . . . . rr_2l2w 1
. 18 . 3492 . 1 1 14 . CA C 2.164 2.383 -0.333 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CA . . . . . . . . . rr_2l2w 1
. 18 . 3493 . 1 1 14 . CB C 1.176 3.379 -0.613 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CB . . . . . . . . . rr_2l2w 1
. 18 . 3494 . 1 1 14 . HB H 1.225 4.115 -1.403 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 HB . . . . . . . . . rr_2l2w 1
. 18 . 3495 . 1 1 14 . N N 1.866 1.587 0.707 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 N . . . . . . . . . rr_2l2w 1
. 18 . 3496 . 1 1 14 . SG S -0.079 3.213 0.501 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 SG . . . . . . . . . rr_2l2w 1
. 18 . 3497 . 1 1 15 . C C 6.617 2.422 0.868 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 C . . . . . . . . . rr_2l2w 1
. 18 . 3498 . 1 1 15 . CA C 5.648 1.981 -0.158 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CA . . . . . . . . . rr_2l2w 1
. 18 . 3499 . 1 1 15 . CB C 6.116 0.977 -1.128 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CB . . . . . . . . . rr_2l2w 1
. 18 . 3500 . 1 1 15 . HB2 H 6.322 0.056 -0.608 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB2 . . . . . . . . . rr_2l2w 1
. 18 . 3501 . 1 1 15 . HB3 H 7.025 1.327 -1.598 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB3 . . . . . . . . . rr_2l2w 1
. 18 . 3502 . 1 1 15 . N N 4.486 2.528 -0.092 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 N . . . . . . . . . rr_2l2w 1
. 18 . 3503 . 1 1 16 . C C 9.865 2.203 2.309 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 C . . . . . . . . . rr_2l2w 1
. 18 . 3504 . 1 1 16 . CA C 8.494 2.534 1.982 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CA . . . . . . . . . rr_2l2w 1
. 18 . 3505 . 1 1 16 . CB C 7.737 3.498 2.722 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CB . . . . . . . . . rr_2l2w 1
. 18 . 3506 . 1 1 16 . HB H 8.093 4.061 3.571 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 HB . . . . . . . . . rr_2l2w 1
. 18 . 3507 . 1 1 16 . N N 7.820 1.965 0.958 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 N . . . . . . . . . rr_2l2w 1
. 18 . 3508 . 1 1 16 . O O 10.500 2.705 3.236 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 O . . . . . . . . . rr_2l2w 1
. 18 . 3509 . 1 1 16 . SG S 6.198 3.605 2.043 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 SG . . . . . . . . . rr_2l2w 1
. 18 . 3510 . 1 1 17 DHA C C 11.994 -0.212 0.443 . . . 1.0 . . . . . . . . . . . . A . 16 DHA C . . . . . . . . . rr_2l2w 1
. 18 . 3511 . 1 1 17 DHA CA C 11.729 0.710 1.536 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CA . . . . . . . . . rr_2l2w 1
. 18 . 3512 . 1 1 17 DHA CB C 12.646 0.967 2.457 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CB . . . . . . . . . rr_2l2w 1
. 18 . 3513 . 1 1 17 DHA H H 9.783 0.973 0.765 . . . 1.0 . . . . . . . . . . . . A . 16 DHA H . . . . . . . . . rr_2l2w 1
. 18 . 3514 . 1 1 17 DHA HB1 H 12.433 1.653 3.261 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB1 . . . . . . . . . rr_2l2w 1
. 18 . 3515 . 1 1 17 DHA HB2 H 13.613 0.487 2.403 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB2 . . . . . . . . . rr_2l2w 1
. 18 . 3516 . 1 1 17 DHA N N 10.373 1.287 1.482 . . . 1.0 . . . . . . . . . . . . A . 16 DHA N . . . . . . . . . rr_2l2w 1
. 18 . 3517 . 1 1 17 DHA O O 11.084 -0.393 -0.365 . . . 1.0 . . . . . . . . . . . . A . 16 DHA O . . . . . . . . . rr_2l2w 1
. 18 . 3518 . 1 1 18 DHA C C 15.023 -2.102 -0.592 . . . 1.0 . . . . . . . . . . . . A . 17 DHA C . . . . . . . . . rr_2l2w 1
. 18 . 3519 . 1 1 18 DHA CA C 13.608 -1.779 -0.666 . . . 1.0 . . . . . . . . . . . . A . 17 DHA CA . . . . . . . . . rr_2l2w 1
. 18 . 3520 . 1 1 18 DHA CB C 12.824 -2.335 -1.578 . . . 1.0 . . . . . . . . . . . . A . 17 DHA CB . . . . . . . . . rr_2l2w 1
. 18 . 3521 . 1 1 18 DHA H H 13.852 -0.549 1.032 . . . 1.0 . . . . . . . . . . . . A . 17 DHA H . . . . . . . . . rr_2l2w 1
. 18 . 3522 . 1 1 18 DHA HB1 H 11.776 -2.084 -1.620 . . . 1.0 . . . . . . . . . . . . A . 17 DHA HB1 . . . . . . . . . rr_2l2w 1
. 18 . 3523 . 1 1 18 DHA HB2 H 13.236 -3.041 -2.284 . . . 1.0 . . . . . . . . . . . . A . 17 DHA HB2 . . . . . . . . . rr_2l2w 1
. 18 . 3524 . 1 1 18 DHA N N 13.188 -0.802 0.356 . . . 1.0 . . . . . . . . . . . . A . 17 DHA N . . . . . . . . . rr_2l2w 1
. 18 . 3525 . 1 1 18 DHA O O 15.688 -1.544 0.281 . . . 1.0 . . . . . . . . . . . . A . 17 DHA O . . . . . . . . . rr_2l2w 1
. 18 . 3526 . 1 1 19 NH2 HN1 H 16.502 -3.183 -1.397 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN1 . . . . . . . . . rr_2l2w 1
. 18 . 3527 . 1 1 19 NH2 HN2 H 14.972 -3.386 -2.127 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN2 . . . . . . . . . rr_2l2w 1
. 18 . 3528 . 1 1 19 NH2 N N 15.547 -2.970 -1.451 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 N . . . . . . . . . rr_2l2w 1
. 19 . 3529 . 1 1 1 QUA C10 C -3.922 -2.513 -2.241 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C10 . . . . . . . . . rr_2l2w 1
. 19 . 3530 . 1 1 1 QUA C11 C -0.595 -1.188 0.029 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C11 . . . . . . . . . rr_2l2w 1
. 19 . 3531 . 1 1 1 QUA C13 C -2.434 -2.897 -4.283 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C13 . . . . . . . . . rr_2l2w 1
. 19 . 3532 . 1 1 1 QUA C14 C -2.378 -4.415 -4.381 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C14 . . . . . . . . . rr_2l2w 1
. 19 . 3533 . 1 1 1 QUA C2 C -1.787 -1.654 -0.747 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C2 . . . . . . . . . rr_2l2w 1
. 19 . 3534 . 1 1 1 QUA C3 C -1.571 -2.035 -2.066 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C3 . . . . . . . . . rr_2l2w 1
. 19 . 3535 . 1 1 1 QUA C4 C -2.651 -2.472 -2.830 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C4 . . . . . . . . . rr_2l2w 1
. 19 . 3536 . 1 1 1 QUA C5 C -5.118 -2.953 -2.975 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C5 . . . . . . . . . rr_2l2w 1
. 19 . 3537 . 1 1 1 QUA C6 C -6.214 -3.280 -2.364 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C6 . . . . . . . . . rr_2l2w 1
. 19 . 3538 . 1 1 1 QUA C7 C -6.338 -3.237 -0.837 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C7 . . . . . . . . . rr_2l2w 1
. 19 . 3539 . 1 1 1 QUA C8 C -5.408 -2.147 -0.230 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C8 . . . . . . . . . rr_2l2w 1
. 19 . 3540 . 1 1 1 QUA C9 C -4.046 -2.116 -0.918 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C9 . . . . . . . . . rr_2l2w 1
. 19 . 3541 . 1 1 1 QUA H13 H -3.256 -2.549 -4.888 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H13 . . . . . . . . . rr_2l2w 1
. 19 . 3542 . 1 1 1 QUA H141 H -3.330 -4.830 -4.087 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H141 . . . . . . . . . rr_2l2w 1
. 19 . 3543 . 1 1 1 QUA H142 H -1.604 -4.790 -3.727 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H142 . . . . . . . . . rr_2l2w 1
. 19 . 3544 . 1 1 1 QUA H143 H -2.159 -4.701 -5.399 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H143 . . . . . . . . . rr_2l2w 1
. 19 . 3545 . 1 1 1 QUA H15 H -1.242 -2.371 -5.765 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H15 . . . . . . . . . rr_2l2w 1
. 19 . 3546 . 1 1 1 QUA H16 H -6.667 -0.887 -1.073 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H16 . . . . . . . . . rr_2l2w 1
. 19 . 3547 . 1 1 1 QUA HC3 H -0.579 -1.991 -2.492 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC3 . . . . . . . . . rr_2l2w 1
. 19 . 3548 . 1 1 1 QUA HC5 H -5.087 -3.000 -4.052 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC5 . . . . . . . . . rr_2l2w 1
. 19 . 3549 . 1 1 1 QUA HC6 H -7.065 -3.594 -2.949 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC6 . . . . . . . . . rr_2l2w 1
. 19 . 3550 . 1 1 1 QUA HC71 H -7.358 -3.019 -0.562 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC71 . . . . . . . . . rr_2l2w 1
. 19 . 3551 . 1 1 1 QUA HC8 H -5.272 -2.369 0.819 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC8 . . . . . . . . . rr_2l2w 1
. 19 . 3552 . 1 1 1 QUA N1 N -3.008 -1.684 -0.147 . . . 1.0 . . . . . . . . . . . . A . 0 QUA N1 . . . . . . . . . rr_2l2w 1
. 19 . 3553 . 1 1 1 QUA O12 O 0.545 -1.173 -0.439 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O12 . . . . . . . . . rr_2l2w 1
. 19 . 3554 . 1 1 1 QUA O15 O -1.218 -2.347 -4.806 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O15 . . . . . . . . . rr_2l2w 1
. 19 . 3555 . 1 1 1 QUA O16 O -6.047 -0.871 -0.341 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O16 . . . . . . . . . rr_2l2w 1
. 19 . 3556 . 1 1 2 ILE C C -5.084 -5.023 1.919 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2l2w 1
. 19 . 3557 . 1 1 2 ILE CA C -6.336 -4.832 1.084 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2l2w 1
. 19 . 3558 . 1 1 2 ILE CB C -7.261 -6.056 1.263 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2l2w 1
. 19 . 3559 . 1 1 2 ILE CD1 C -7.446 -8.565 0.816 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2l2w 1
. 19 . 3560 . 1 1 2 ILE CG1 C -6.667 -7.289 0.567 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2l2w 1
. 19 . 3561 . 1 1 2 ILE CG2 C -8.650 -5.746 0.720 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2l2w 1
. 19 . 3562 . 1 1 2 ILE H H -5.040 -4.770 -0.485 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H . . . . . . . . . rr_2l2w 1
. 19 . 3563 . 1 1 2 ILE HA H -6.851 -3.962 1.448 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2l2w 1
. 19 . 3564 . 1 1 2 ILE HB H -7.354 -6.258 2.319 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2l2w 1
. 19 . 3565 . 1 1 2 ILE HD11 H -6.904 -9.403 0.402 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2l2w 1
. 19 . 3566 . 1 1 2 ILE HD12 H -8.414 -8.495 0.344 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2l2w 1
. 19 . 3567 . 1 1 2 ILE HD13 H -7.573 -8.707 1.879 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2l2w 1
. 19 . 3568 . 1 1 2 ILE HG12 H -6.648 -7.118 -0.498 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2l2w 1
. 19 . 3569 . 1 1 2 ILE HG13 H -5.658 -7.443 0.920 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2l2w 1
. 19 . 3570 . 1 1 2 ILE HG21 H -9.015 -4.832 1.165 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2l2w 1
. 19 . 3571 . 1 1 2 ILE HG22 H -9.322 -6.556 0.963 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2l2w 1
. 19 . 3572 . 1 1 2 ILE HG23 H -8.600 -5.630 -0.352 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2l2w 1
. 19 . 3573 . 1 1 2 ILE N N -5.996 -4.609 -0.351 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2l2w 1
. 19 . 3574 . 1 1 2 ILE O O -5.115 -4.898 3.143 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2l2w 1
. 19 . 3575 . 1 1 3 ALA C C -1.572 -5.688 0.940 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2l2w 1
. 19 . 3576 . 1 1 3 ALA CA C -2.728 -5.611 1.929 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2l2w 1
. 19 . 3577 . 1 1 3 ALA CB C -2.863 -6.906 2.707 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2l2w 1
. 19 . 3578 . 1 1 3 ALA H H -4.004 -5.339 0.268 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2l2w 1
. 19 . 3579 . 1 1 3 ALA HA H -2.536 -4.813 2.632 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2l2w 1
. 19 . 3580 . 1 1 3 ALA HB1 H -2.963 -7.730 2.016 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2l2w 1
. 19 . 3581 . 1 1 3 ALA HB2 H -3.742 -6.854 3.333 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2l2w 1
. 19 . 3582 . 1 1 3 ALA HB3 H -1.988 -7.052 3.322 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2l2w 1
. 19 . 3583 . 1 1 3 ALA N N -3.978 -5.318 1.247 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2l2w 1
. 19 . 3584 . 1 1 3 ALA O O -1.614 -6.463 -0.014 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2l2w 1
. 19 . 3585 . 1 1 4 DHA C C 1.589 -3.747 0.906 . . . 1.0 . . . . . . . . . . . . A . 3 DHA C . . . . . . . . . rr_2l2w 1
. 19 . 3586 . 1 1 4 DHA CA C 0.620 -4.650 0.317 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CA . . . . . . . . . rr_2l2w 1
. 19 . 3587 . 1 1 4 DHA CB C 0.805 -5.168 -0.889 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CB . . . . . . . . . rr_2l2w 1
. 19 . 3588 . 1 1 4 DHA H H -0.557 -4.400 2.043 . . . 1.0 . . . . . . . . . . . . A . 3 DHA H . . . . . . . . . rr_2l2w 1
. 19 . 3589 . 1 1 4 DHA HB1 H 0.067 -5.824 -1.319 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB1 . . . . . . . . . rr_2l2w 1
. 19 . 3590 . 1 1 4 DHA HB2 H 1.693 -4.920 -1.450 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB2 . . . . . . . . . rr_2l2w 1
. 19 . 3591 . 1 1 4 DHA N N -0.541 -4.881 1.190 . . . 1.0 . . . . . . . . . . . . A . 3 DHA N . . . . . . . . . rr_2l2w 1
. 19 . 3592 . 1 1 4 DHA O O 1.338 -3.303 2.024 . . . 1.0 . . . . . . . . . . . . A . 3 DHA O . . . . . . . . . rr_2l2w 1
. 19 . 3593 . 1 1 5 ALA C C 3.972 -1.491 -0.482 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_2l2w 1
. 19 . 3594 . 1 1 5 ALA CA C 3.590 -2.387 0.686 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_2l2w 1
. 19 . 3595 . 1 1 5 ALA CB C 4.823 -2.997 1.330 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_2l2w 1
. 19 . 3596 . 1 1 5 ALA H H 2.896 -3.921 -0.591 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_2l2w 1
. 19 . 3597 . 1 1 5 ALA HA H 3.076 -1.794 1.429 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_2l2w 1
. 19 . 3598 . 1 1 5 ALA HB1 H 5.455 -2.209 1.715 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . rr_2l2w 1
. 19 . 3599 . 1 1 5 ALA HB2 H 5.367 -3.570 0.593 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_2l2w 1
. 19 . 3600 . 1 1 5 ALA HB3 H 4.519 -3.645 2.140 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_2l2w 1
. 19 . 3601 . 1 1 5 ALA N N 2.686 -3.434 0.233 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_2l2w 1
. 19 . 3602 . 1 1 5 ALA O O 4.596 -1.951 -1.437 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_2l2w 1
. 19 . 3603 . 1 1 6 SER C C 2.670 0.352 -2.588 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2l2w 1
. 19 . 3604 . 1 1 6 SER CA C 3.684 0.706 -1.601 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2l2w 1
. 19 . 3605 . 1 1 6 SER CB C 5.123 0.722 -2.194 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2l2w 1
. 19 . 3606 . 1 1 6 SER H H 3.209 0.118 0.448 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2l2w 1
. 19 . 3607 . 1 1 6 SER HB2 H 5.348 -0.231 -2.644 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2l2w 1
. 19 . 3608 . 1 1 6 SER HB3 H 5.195 1.497 -2.944 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2l2w 1
. 19 . 3609 . 1 1 6 SER N N 3.583 -0.214 -0.403 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2l2w 1
. 19 . 3610 . 1 1 7 . C C -0.607 0.654 -3.976 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 C . . . . . . . . . rr_2l2w 1
. 19 . 3611 . 1 1 7 . CA C 0.764 0.287 -3.685 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CA . . . . . . . . . rr_2l2w 1
. 19 . 3612 . 1 1 7 . CB C 1.489 -0.672 -4.454 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CB . . . . . . . . . rr_2l2w 1
. 19 . 3613 . 1 1 7 . HB H 1.112 -1.214 -5.308 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 HB . . . . . . . . . rr_2l2w 1
. 19 . 3614 . 1 1 7 . N N 1.466 0.822 -2.664 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 N . . . . . . . . . rr_2l2w 1
. 19 . 3615 . 1 1 7 . O O -1.265 0.219 -4.922 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 O . . . . . . . . . rr_2l2w 1
. 19 . 3616 . 1 1 7 . SG S 3.036 -0.817 -3.801 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 SG . . . . . . . . . rr_2l2w 1
. 19 . 3617 . 1 1 8 THR C C -2.497 3.522 -2.922 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2l2w 1
. 19 . 3618 . 1 1 8 THR CA C -2.466 2.020 -3.177 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2l2w 1
. 19 . 3619 . 1 1 8 THR CB C -3.405 1.313 -2.175 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2l2w 1
. 19 . 3620 . 1 1 8 THR CG2 C -2.935 1.519 -0.740 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2l2w 1
. 19 . 3621 . 1 1 8 THR H H -0.535 1.803 -2.342 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2l2w 1
. 19 . 3622 . 1 1 8 THR HA H -2.829 1.825 -4.177 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2l2w 1
. 19 . 3623 . 1 1 8 THR HB H -3.402 0.256 -2.391 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2l2w 1
. 19 . 3624 . 1 1 8 THR HG1 H -5.367 1.104 -2.151 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2l2w 1
. 19 . 3625 . 1 1 8 THR HG21 H -1.883 1.289 -0.669 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2l2w 1
. 19 . 3626 . 1 1 8 THR HG22 H -3.490 0.864 -0.084 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2l2w 1
. 19 . 3627 . 1 1 8 THR HG23 H -3.102 2.545 -0.448 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2l2w 1
. 19 . 3628 . 1 1 8 THR N N -1.103 1.508 -3.084 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2l2w 1
. 19 . 3629 . 1 1 8 THR O O -1.505 4.108 -2.486 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2l2w 1
. 19 . 3630 . 1 1 8 THR OG1 O -4.740 1.813 -2.319 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2l2w 1
. 19 . 3631 . 1 1 9 DBU C C -4.815 5.936 -1.925 . . . 1.0 . . . . . . . . . . . . A . 8 DBU C . . . . . . . . . rr_2l2w 1
. 19 . 3632 . 1 1 9 DBU CA C -3.882 5.578 -3.021 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CA . . . . . . . . . rr_2l2w 1
. 19 . 3633 . 1 1 9 DBU CB C -3.330 6.526 -3.773 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CB . . . . . . . . . rr_2l2w 1
. 19 . 3634 . 1 1 9 DBU CG C -2.358 6.223 -4.925 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CG . . . . . . . . . rr_2l2w 1
. 19 . 3635 . 1 1 9 DBU HG1 H -2.854 5.606 -5.661 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG1 . . . . . . . . . rr_2l2w 1
. 19 . 3636 . 1 1 9 DBU HG2 H -1.495 5.701 -4.540 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG2 . . . . . . . . . rr_2l2w 1
. 19 . 3637 . 1 1 9 DBU HG3 H -2.044 7.149 -5.383 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG3 . . . . . . . . . rr_2l2w 1
. 19 . 3638 . 1 1 9 DBU N N -3.641 4.142 -3.192 . . . 1.0 . . . . . . . . . . . . A . 8 DBU N . . . . . . . . . rr_2l2w 1
. 19 . 3639 . 1 1 10 . C C -6.194 5.012 1.234 . . . 1.0 . . . . . . . . . . . . A . 9 DCY C . . . . . . . . . rr_2l2w 1
. 19 . 3640 . 1 1 10 . CA C -6.234 5.672 -0.131 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CA . . . . . . . . . rr_2l2w 1
. 19 . 3641 . 1 1 10 . CB C -5.854 7.145 -0.017 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CB . . . . . . . . . rr_2l2w 1
. 19 . 3642 . 1 1 10 . HA H -7.243 5.615 -0.506 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HA . . . . . . . . . rr_2l2w 1
. 19 . 3643 . 1 1 10 . HB2 H -6.720 7.735 0.266 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB2 . . . . . . . . . rr_2l2w 1
. 19 . 3644 . 1 1 10 . HB3 H -5.052 7.279 0.687 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB3 . . . . . . . . . rr_2l2w 1
. 19 . 3645 . 1 1 10 . N N -5.338 5.049 -1.119 . . . 1.0 . . . . . . . . . . . . A . 9 DCY N . . . . . . . . . rr_2l2w 1
. 19 . 3646 . 1 1 10 . O O -6.256 5.732 2.233 . . . 1.0 . . . . . . . . . . . . A . 9 DCY O . . . . . . . . . rr_2l2w 1
. 19 . 3647 . 1 1 10 . SG S -5.280 7.583 -1.661 . . . 1.0 . . . . . . . . . . . . A . 9 DCY SG . . . . . . . . . rr_2l2w 1
. 19 . 3648 . 1 1 11 . C C -4.911 3.071 3.363 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 C . . . . . . . . . rr_2l2w 1
. 19 . 3649 . 1 1 11 . CA C -6.216 2.978 2.570 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CA . . . . . . . . . rr_2l2w 1
. 19 . 3650 . 1 1 11 . CB C -6.643 1.486 2.346 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CB . . . . . . . . . rr_2l2w 1
. 19 . 3651 . 1 1 11 . CD1 C -8.588 0.147 1.214 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CD1 . . . . . . . . . rr_2l2w 1
. 19 . 3652 . 1 1 11 . CG1 C -7.903 1.494 1.408 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG1 . . . . . . . . . rr_2l2w 1
. 19 . 3653 . 1 1 11 . CG2 C -6.955 0.823 3.653 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG2 . . . . . . . . . rr_2l2w 1
. 19 . 3654 . 1 1 11 . H H -5.935 3.176 0.477 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 H . . . . . . . . . rr_2l2w 1
. 19 . 3655 . 1 1 11 . HA H -6.995 3.474 3.132 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HA . . . . . . . . . rr_2l2w 1
. 19 . 3656 . 1 1 11 . HD11 H -7.843 -0.619 1.067 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD11 . . . . . . . . . rr_2l2w 1
. 19 . 3657 . 1 1 11 . HD12 H -9.233 0.195 0.349 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD12 . . . . . . . . . rr_2l2w 1
. 19 . 3658 . 1 1 11 . HD13 H -9.176 -0.086 2.090 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD13 . . . . . . . . . rr_2l2w 1
. 19 . 3659 . 1 1 11 . HD2 H -9.058 2.108 2.885 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD2 . . . . . . . . . rr_2l2w 1
. 19 . 3660 . 1 1 11 . HG1 H -7.621 1.869 0.437 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG1 . . . . . . . . . rr_2l2w 1
. 19 . 3661 . 1 1 11 . HG21 H -7.802 1.312 4.111 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG21 . . . . . . . . . rr_2l2w 1
. 19 . 3662 . 1 1 11 . HG22 H -6.100 0.894 4.309 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG22 . . . . . . . . . rr_2l2w 1
. 19 . 3663 . 1 1 11 . HG23 H -7.189 -0.217 3.485 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG23 . . . . . . . . . rr_2l2w 1
. 19 . 3664 . 1 1 11 . HG3 H -5.067 0.326 2.356 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG3 . . . . . . . . . rr_2l2w 1
. 19 . 3665 . 1 1 11 . N N -6.094 3.687 1.298 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 N . . . . . . . . . rr_2l2w 1
. 19 . 3666 . 1 1 11 . OD2 O -8.834 2.407 2.001 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OD2 . . . . . . . . . rr_2l2w 1
. 19 . 3667 . 1 1 11 . OG3 O -5.590 0.795 1.701 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OG3 . . . . . . . . . rr_2l2w 1
. 19 . 3668 . 1 1 12 . C C -1.435 2.356 3.818 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 C . . . . . . . . . rr_2l2w 1
. 19 . 3669 . 1 1 12 . CA C -2.809 2.808 3.933 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CA . . . . . . . . . rr_2l2w 1
. 19 . 3670 . 1 1 12 . CB C -3.252 3.573 5.055 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CB . . . . . . . . . rr_2l2w 1
. 19 . 3671 . 1 1 12 . HB H -2.639 3.877 5.890 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 HB . . . . . . . . . rr_2l2w 1
. 19 . 3672 . 1 1 12 . N N -3.773 2.553 3.015 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 N . . . . . . . . . rr_2l2w 1
. 19 . 3673 . 1 1 12 . O O -0.560 2.599 4.650 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 O . . . . . . . . . rr_2l2w 1
. 19 . 3674 . 1 1 12 . SG S -4.886 3.918 4.859 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 SG . . . . . . . . . rr_2l2w 1
. 19 . 3675 . 1 1 13 THR C C 0.750 1.876 1.243 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_2l2w 1
. 19 . 3676 . 1 1 13 THR CA C 0.145 1.141 2.425 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_2l2w 1
. 19 . 3677 . 1 1 13 THR CB C 0.168 -0.378 2.173 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_2l2w 1
. 19 . 3678 . 1 1 13 THR CG2 C -0.023 -1.141 3.464 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_2l2w 1
. 19 . 3679 . 1 1 13 THR H H -1.933 1.442 2.103 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_2l2w 1
. 19 . 3680 . 1 1 13 THR HA H 0.757 1.330 3.294 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_2l2w 1
. 19 . 3681 . 1 1 13 THR HB H 1.125 -0.653 1.751 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_2l2w 1
. 19 . 3682 . 1 1 13 THR HG21 H -0.717 -0.612 4.098 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_2l2w 1
. 19 . 3683 . 1 1 13 THR HG22 H 0.931 -1.229 3.963 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_2l2w 1
. 19 . 3684 . 1 1 13 THR HG23 H -0.408 -2.125 3.245 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_2l2w 1
. 19 . 3685 . 1 1 13 THR N N -1.198 1.639 2.720 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_2l2w 1
. 19 . 3686 . 1 1 13 THR OG1 O -0.927 -0.783 1.256 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_2l2w 1
. 19 . 3687 . 1 1 14 . C C 3.475 2.161 -1.045 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 C . . . . . . . . . rr_2l2w 1
. 19 . 3688 . 1 1 14 . CA C 2.185 2.380 -0.317 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CA . . . . . . . . . rr_2l2w 1
. 19 . 3689 . 1 1 14 . CB C 1.199 3.379 -0.594 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CB . . . . . . . . . rr_2l2w 1
. 19 . 3690 . 1 1 14 . HB H 1.253 4.120 -1.378 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 HB . . . . . . . . . rr_2l2w 1
. 19 . 3691 . 1 1 14 . N N 1.882 1.575 0.713 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 N . . . . . . . . . rr_2l2w 1
. 19 . 3692 . 1 1 14 . SG S -0.062 3.201 0.510 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 SG . . . . . . . . . rr_2l2w 1
. 19 . 3693 . 1 1 15 . C C 6.624 2.433 0.916 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 C . . . . . . . . . rr_2l2w 1
. 19 . 3694 . 1 1 15 . CA C 5.668 1.995 -0.123 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CA . . . . . . . . . rr_2l2w 1
. 19 . 3695 . 1 1 15 . CB C 6.149 1.003 -1.099 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CB . . . . . . . . . rr_2l2w 1
. 19 . 3696 . 1 1 15 . HB2 H 6.364 0.080 -0.585 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB2 . . . . . . . . . rr_2l2w 1
. 19 . 3697 . 1 1 15 . HB3 H 7.054 1.367 -1.565 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB3 . . . . . . . . . rr_2l2w 1
. 19 . 3698 . 1 1 15 . N N 4.501 2.531 -0.059 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 N . . . . . . . . . rr_2l2w 1
. 19 . 3699 . 1 1 16 . C C 9.881 2.283 2.356 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 C . . . . . . . . . rr_2l2w 1
. 19 . 3700 . 1 1 16 . CA C 8.498 2.573 2.035 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CA . . . . . . . . . rr_2l2w 1
. 19 . 3701 . 1 1 16 . CB C 7.708 3.485 2.805 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CB . . . . . . . . . rr_2l2w 1
. 19 . 3702 . 1 1 16 . HB H 8.043 4.033 3.674 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 HB . . . . . . . . . rr_2l2w 1
. 19 . 3703 . 1 1 16 . N N 7.843 2.014 0.992 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 N . . . . . . . . . rr_2l2w 1
. 19 . 3704 . 1 1 16 . O O 10.489 2.776 3.304 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 O . . . . . . . . . rr_2l2w 1
. 19 . 3705 . 1 1 16 . SG S 6.166 3.561 2.130 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 SG . . . . . . . . . rr_2l2w 1
. 19 . 3706 . 1 1 17 DHA C C 12.170 0.117 0.377 . . . 1.0 . . . . . . . . . . . . A . 16 DHA C . . . . . . . . . rr_2l2w 1
. 19 . 3707 . 1 1 17 DHA CA C 11.819 0.913 1.543 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CA . . . . . . . . . rr_2l2w 1
. 19 . 3708 . 1 1 17 DHA CB C 12.694 1.125 2.516 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CB . . . . . . . . . rr_2l2w 1
. 19 . 3709 . 1 1 17 DHA H H 9.868 1.114 0.760 . . . 1.0 . . . . . . . . . . . . A . 16 DHA H . . . . . . . . . rr_2l2w 1
. 19 . 3710 . 1 1 17 DHA HB1 H 12.419 1.719 3.374 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB1 . . . . . . . . . rr_2l2w 1
. 19 . 3711 . 1 1 17 DHA HB2 H 13.685 0.705 2.450 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB2 . . . . . . . . . rr_2l2w 1
. 19 . 3712 . 1 1 17 DHA N N 10.436 1.424 1.496 . . . 1.0 . . . . . . . . . . . . A . 16 DHA N . . . . . . . . . rr_2l2w 1
. 19 . 3713 . 1 1 17 DHA O O 11.298 -0.033 -0.478 . . . 1.0 . . . . . . . . . . . . A . 16 DHA O . . . . . . . . . rr_2l2w 1
. 19 . 3714 . 1 1 18 DHA C C 15.327 -1.537 -0.696 . . . 1.0 . . . . . . . . . . . . A . 17 DHA C . . . . . . . . . rr_2l2w 1
. 19 . 3715 . 1 1 18 DHA CA C 13.908 -1.245 -0.817 . . . 1.0 . . . . . . . . . . . . A . 17 DHA CA . . . . . . . . . rr_2l2w 1
. 19 . 3716 . 1 1 18 DHA CB C 13.195 -1.716 -1.830 . . . 1.0 . . . . . . . . . . . . A . 17 DHA CB . . . . . . . . . rr_2l2w 1
. 19 . 3717 . 1 1 18 DHA H H 14.024 -0.183 1.000 . . . 1.0 . . . . . . . . . . . . A . 17 DHA H . . . . . . . . . rr_2l2w 1
. 19 . 3718 . 1 1 18 DHA HB1 H 12.144 -1.490 -1.906 . . . 1.0 . . . . . . . . . . . . A . 17 DHA HB1 . . . . . . . . . rr_2l2w 1
. 19 . 3719 . 1 1 18 DHA HB2 H 13.668 -2.329 -2.583 . . . 1.0 . . . . . . . . . . . . A . 17 DHA HB2 . . . . . . . . . rr_2l2w 1
. 19 . 3720 . 1 1 18 DHA N N 13.399 -0.398 0.278 . . . 1.0 . . . . . . . . . . . . A . 17 DHA N . . . . . . . . . rr_2l2w 1
. 19 . 3721 . 1 1 18 DHA O O 15.924 -1.064 0.271 . . . 1.0 . . . . . . . . . . . . A . 17 DHA O . . . . . . . . . rr_2l2w 1
. 19 . 3722 . 1 1 19 NH2 HN1 H 16.881 -2.486 -1.525 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN1 . . . . . . . . . rr_2l2w 1
. 19 . 3723 . 1 1 19 NH2 HN2 H 15.401 -2.644 -2.362 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN2 . . . . . . . . . rr_2l2w 1
. 19 . 3724 . 1 1 19 NH2 N N 15.925 -2.292 -1.612 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 N . . . . . . . . . rr_2l2w 1
. 20 . 3725 . 1 1 1 QUA C10 C -3.894 -2.534 -2.201 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C10 . . . . . . . . . rr_2l2w 1
. 20 . 3726 . 1 1 1 QUA C11 C -0.574 -1.170 0.058 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C11 . . . . . . . . . rr_2l2w 1
. 20 . 3727 . 1 1 1 QUA C13 C -2.413 -2.866 -4.256 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C13 . . . . . . . . . rr_2l2w 1
. 20 . 3728 . 1 1 1 QUA C14 C -2.333 -4.382 -4.370 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C14 . . . . . . . . . rr_2l2w 1
. 20 . 3729 . 1 1 1 QUA C2 C -1.764 -1.650 -0.714 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C2 . . . . . . . . . rr_2l2w 1
. 20 . 3730 . 1 1 1 QUA C3 C -1.550 -2.012 -2.037 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C3 . . . . . . . . . rr_2l2w 1
. 20 . 3731 . 1 1 1 QUA C4 C -2.627 -2.461 -2.798 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C4 . . . . . . . . . rr_2l2w 1
. 20 . 3732 . 1 1 1 QUA C5 C -5.086 -2.992 -2.929 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C5 . . . . . . . . . rr_2l2w 1
. 20 . 3733 . 1 1 1 QUA C6 C -6.173 -3.345 -2.314 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C6 . . . . . . . . . rr_2l2w 1
. 20 . 3734 . 1 1 1 QUA C7 C -6.289 -3.315 -0.785 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C7 . . . . . . . . . rr_2l2w 1
. 20 . 3735 . 1 1 1 QUA C8 C -5.370 -2.221 -0.173 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C8 . . . . . . . . . rr_2l2w 1
. 20 . 3736 . 1 1 1 QUA C9 C -4.015 -2.155 -0.872 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C9 . . . . . . . . . rr_2l2w 1
. 20 . 3737 . 1 1 1 QUA H13 H -3.244 -2.524 -4.852 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H13 . . . . . . . . . rr_2l2w 1
. 20 . 3738 . 1 1 1 QUA H141 H -3.265 -4.818 -4.040 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H141 . . . . . . . . . rr_2l2w 1
. 20 . 3739 . 1 1 1 QUA H142 H -1.526 -4.748 -3.752 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H142 . . . . . . . . . rr_2l2w 1
. 20 . 3740 . 1 1 1 QUA H143 H -2.152 -4.657 -5.398 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H143 . . . . . . . . . rr_2l2w 1
. 20 . 3741 . 1 1 1 QUA H15 H -0.952 -2.759 -5.578 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H15 . . . . . . . . . rr_2l2w 1
. 20 . 3742 . 1 1 1 QUA H16 H -5.976 -0.623 -1.156 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H16 . . . . . . . . . rr_2l2w 1
. 20 . 3743 . 1 1 1 QUA HC3 H -0.563 -1.943 -2.470 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC3 . . . . . . . . . rr_2l2w 1
. 20 . 3744 . 1 1 1 QUA HC5 H -5.061 -3.031 -4.007 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC5 . . . . . . . . . rr_2l2w 1
. 20 . 3745 . 1 1 1 QUA HC6 H -7.021 -3.671 -2.897 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC6 . . . . . . . . . rr_2l2w 1
. 20 . 3746 . 1 1 1 QUA HC71 H -7.309 -3.110 -0.506 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC71 . . . . . . . . . rr_2l2w 1
. 20 . 3747 . 1 1 1 QUA HC8 H -5.220 -2.457 0.871 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC8 . . . . . . . . . rr_2l2w 1
. 20 . 3748 . 1 1 1 QUA N1 N -2.981 -1.712 -0.105 . . . 1.0 . . . . . . . . . . . . A . 0 QUA N1 . . . . . . . . . rr_2l2w 1
. 20 . 3749 . 1 1 1 QUA O12 O 0.562 -1.136 -0.416 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O12 . . . . . . . . . rr_2l2w 1
. 20 . 3750 . 1 1 1 QUA O15 O -1.208 -2.292 -4.779 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O15 . . . . . . . . . rr_2l2w 1
. 20 . 3751 . 1 1 1 QUA O16 O -6.031 -0.954 -0.257 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O16 . . . . . . . . . rr_2l2w 1
. 20 . 3752 . 1 1 2 ILE C C -5.054 -5.172 1.962 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2l2w 1
. 20 . 3753 . 1 1 2 ILE CA C -6.291 -4.924 1.119 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2l2w 1
. 20 . 3754 . 1 1 2 ILE CB C -7.257 -6.120 1.262 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2l2w 1
. 20 . 3755 . 1 1 2 ILE CD1 C -7.547 -8.596 0.703 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2l2w 1
. 20 . 3756 . 1 1 2 ILE CG1 C -6.715 -7.345 0.513 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2l2w 1
. 20 . 3757 . 1 1 2 ILE CG2 C -8.639 -5.740 0.748 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2l2w 1
. 20 . 3758 . 1 1 2 ILE H H -4.969 -4.826 -0.427 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H . . . . . . . . . rr_2l2w 1
. 20 . 3759 . 1 1 2 ILE HA H -6.782 -4.046 1.495 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2l2w 1
. 20 . 3760 . 1 1 2 ILE HB H -7.346 -6.360 2.312 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2l2w 1
. 20 . 3761 . 1 1 2 ILE HD11 H -7.020 -9.444 0.291 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2l2w 1
. 20 . 3762 . 1 1 2 ILE HD12 H -8.493 -8.480 0.195 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2l2w 1
. 20 . 3763 . 1 1 2 ILE HD13 H -7.721 -8.756 1.756 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2l2w 1
. 20 . 3764 . 1 1 2 ILE HG12 H -6.685 -7.126 -0.544 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2l2w 1
. 20 . 3765 . 1 1 2 ILE HG13 H -5.713 -7.556 0.858 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2l2w 1
. 20 . 3766 . 1 1 2 ILE HG21 H -8.602 -5.612 -0.324 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2l2w 1
. 20 . 3767 . 1 1 2 ILE HG22 H -8.952 -4.815 1.209 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2l2w 1
. 20 . 3768 . 1 1 2 ILE HG23 H -9.344 -6.520 0.994 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2l2w 1
. 20 . 3769 . 1 1 2 ILE N N -5.931 -4.684 -0.309 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2l2w 1
. 20 . 3770 . 1 1 2 ILE O O -5.113 -5.153 3.191 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2l2w 1
. 20 . 3771 . 1 1 3 ALA C C -1.533 -5.777 0.968 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2l2w 1
. 20 . 3772 . 1 1 3 ALA CA C -2.686 -5.729 1.962 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2l2w 1
. 20 . 3773 . 1 1 3 ALA CB C -2.834 -7.058 2.684 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2l2w 1
. 20 . 3774 . 1 1 3 ALA H H -3.941 -5.333 0.311 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2l2w 1
. 20 . 3775 . 1 1 3 ALA HA H -2.487 -4.964 2.698 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2l2w 1
. 20 . 3776 . 1 1 3 ALA HB1 H -2.945 -7.848 1.957 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2l2w 1
. 20 . 3777 . 1 1 3 ALA HB2 H -3.711 -7.024 3.313 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2l2w 1
. 20 . 3778 . 1 1 3 ALA HB3 H -1.959 -7.240 3.289 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2l2w 1
. 20 . 3779 . 1 1 3 ALA N N -3.932 -5.395 1.288 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2l2w 1
. 20 . 3780 . 1 1 3 ALA O O -1.541 -6.581 0.036 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2l2w 1
. 20 . 3781 . 1 1 4 DHA C C 1.573 -3.750 0.876 . . . 1.0 . . . . . . . . . . . . A . 3 DHA C . . . . . . . . . rr_2l2w 1
. 20 . 3782 . 1 1 4 DHA CA C 0.593 -4.641 0.288 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CA . . . . . . . . . rr_2l2w 1
. 20 . 3783 . 1 1 4 DHA CB C 0.749 -5.114 -0.941 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CB . . . . . . . . . rr_2l2w 1
. 20 . 3784 . 1 1 4 DHA H H -0.563 -4.426 2.035 . . . 1.0 . . . . . . . . . . . . A . 3 DHA H . . . . . . . . . rr_2l2w 1
. 20 . 3785 . 1 1 4 DHA HB1 H 0.005 -5.763 -1.373 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB1 . . . . . . . . . rr_2l2w 1
. 20 . 3786 . 1 1 4 DHA HB2 H 1.619 -4.838 -1.517 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB2 . . . . . . . . . rr_2l2w 1
. 20 . 3787 . 1 1 4 DHA N N -0.540 -4.914 1.186 . . . 1.0 . . . . . . . . . . . . A . 3 DHA N . . . . . . . . . rr_2l2w 1
. 20 . 3788 . 1 1 4 DHA O O 1.356 -3.343 2.016 . . . 1.0 . . . . . . . . . . . . A . 3 DHA O . . . . . . . . . rr_2l2w 1
. 20 . 3789 . 1 1 5 ALA C C 3.964 -1.478 -0.512 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_2l2w 1
. 20 . 3790 . 1 1 5 ALA CA C 3.577 -2.391 0.640 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_2l2w 1
. 20 . 3791 . 1 1 5 ALA CB C 4.807 -3.045 1.249 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_2l2w 1
. 20 . 3792 . 1 1 5 ALA H H 2.815 -3.850 -0.682 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_2l2w 1
. 20 . 3793 . 1 1 5 ALA HA H 3.087 -1.806 1.405 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_2l2w 1
. 20 . 3794 . 1 1 5 ALA HB1 H 4.501 -3.707 2.047 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . rr_2l2w 1
. 20 . 3795 . 1 1 5 ALA HB2 H 5.463 -2.284 1.644 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_2l2w 1
. 20 . 3796 . 1 1 5 ALA HB3 H 5.327 -3.612 0.491 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_2l2w 1
. 20 . 3797 . 1 1 5 ALA N N 2.645 -3.406 0.174 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_2l2w 1
. 20 . 3798 . 1 1 5 ALA O O 4.587 -1.924 -1.475 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_2l2w 1
. 20 . 3799 . 1 1 6 SER C C 2.673 0.402 -2.591 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2l2w 1
. 20 . 3800 . 1 1 6 SER CA C 3.685 0.738 -1.598 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2l2w 1
. 20 . 3801 . 1 1 6 SER CB C 5.124 0.758 -2.191 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2l2w 1
. 20 . 3802 . 1 1 6 SER H H 3.206 0.119 0.442 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2l2w 1
. 20 . 3803 . 1 1 6 SER HB2 H 5.343 -0.188 -2.660 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2l2w 1
. 20 . 3804 . 1 1 6 SER HB3 H 5.198 1.547 -2.927 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2l2w 1
. 20 . 3805 . 1 1 6 SER N N 3.579 -0.201 -0.413 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2l2w 1
. 20 . 3806 . 1 1 7 . C C -0.594 0.725 -3.998 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 C . . . . . . . . . rr_2l2w 1
. 20 . 3807 . 1 1 7 . CA C 0.775 0.356 -3.699 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CA . . . . . . . . . rr_2l2w 1
. 20 . 3808 . 1 1 7 . CB C 1.500 -0.597 -4.473 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CB . . . . . . . . . rr_2l2w 1
. 20 . 3809 . 1 1 7 . HB H 1.124 -1.129 -5.335 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 HB . . . . . . . . . rr_2l2w 1
. 20 . 3810 . 1 1 7 . N N 1.471 0.878 -2.668 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 N . . . . . . . . . rr_2l2w 1
. 20 . 3811 . 1 1 7 . O O -1.242 0.295 -4.953 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 O . . . . . . . . . rr_2l2w 1
. 20 . 3812 . 1 1 7 . SG S 3.041 -0.755 -3.814 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 SG . . . . . . . . . rr_2l2w 1
. 20 . 3813 . 1 1 8 THR C C -2.546 3.562 -2.993 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2l2w 1
. 20 . 3814 . 1 1 8 THR CA C -2.475 2.053 -3.196 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2l2w 1
. 20 . 3815 . 1 1 8 THR CB C -3.380 1.358 -2.158 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2l2w 1
. 20 . 3816 . 1 1 8 THR CG2 C -2.863 1.577 -0.743 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2l2w 1
. 20 . 3817 . 1 1 8 THR H H -0.532 1.892 -2.375 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2l2w 1
. 20 . 3818 . 1 1 8 THR HA H -2.848 1.815 -4.182 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2l2w 1
. 20 . 3819 . 1 1 8 THR HB H -3.385 0.297 -2.362 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2l2w 1
. 20 . 3820 . 1 1 8 THR HG1 H -5.287 1.384 -1.650 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2l2w 1
. 20 . 3821 . 1 1 8 THR HG21 H -3.002 2.612 -0.463 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2l2w 1
. 20 . 3822 . 1 1 8 THR HG22 H -1.811 1.333 -0.702 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2l2w 1
. 20 . 3823 . 1 1 8 THR HG23 H -3.406 0.943 -0.058 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2l2w 1
. 20 . 3824 . 1 1 8 THR N N -1.099 1.576 -3.109 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2l2w 1
. 20 . 3825 . 1 1 8 THR O O -1.559 4.196 -2.613 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2l2w 1
. 20 . 3826 . 1 1 8 THR OG1 O -4.720 1.857 -2.263 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2l2w 1
. 20 . 3827 . 1 1 9 DBU C C -4.909 5.939 -2.010 . . . 1.0 . . . . . . . . . . . . A . 8 DBU C . . . . . . . . . rr_2l2w 1
. 20 . 3828 . 1 1 9 DBU CA C -4.006 5.566 -3.126 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CA . . . . . . . . . rr_2l2w 1
. 20 . 3829 . 1 1 9 DBU CB C -3.518 6.499 -3.938 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CB . . . . . . . . . rr_2l2w 1
. 20 . 3830 . 1 1 9 DBU CG C -2.582 6.181 -5.114 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CG . . . . . . . . . rr_2l2w 1
. 20 . 3831 . 1 1 9 DBU HG1 H -2.354 7.090 -5.650 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG1 . . . . . . . . . rr_2l2w 1
. 20 . 3832 . 1 1 9 DBU HG2 H -3.065 5.483 -5.781 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG2 . . . . . . . . . rr_2l2w 1
. 20 . 3833 . 1 1 9 DBU HG3 H -1.667 5.745 -4.739 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG3 . . . . . . . . . rr_2l2w 1
. 20 . 3834 . 1 1 9 DBU N N -3.718 4.134 -3.246 . . . 1.0 . . . . . . . . . . . . A . 8 DBU N . . . . . . . . . rr_2l2w 1
. 20 . 3835 . 1 1 10 . C C -6.216 5.061 1.199 . . . 1.0 . . . . . . . . . . . . A . 9 DCY C . . . . . . . . . rr_2l2w 1
. 20 . 3836 . 1 1 10 . CA C -6.274 5.704 -0.173 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CA . . . . . . . . . rr_2l2w 1
. 20 . 3837 . 1 1 10 . CB C -5.883 7.177 -0.088 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CB . . . . . . . . . rr_2l2w 1
. 20 . 3838 . 1 1 10 . HA H -7.291 5.651 -0.528 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HA . . . . . . . . . rr_2l2w 1
. 20 . 3839 . 1 1 10 . HB2 H -6.734 7.773 0.222 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB2 . . . . . . . . . rr_2l2w 1
. 20 . 3840 . 1 1 10 . HB3 H -5.052 7.315 0.581 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB3 . . . . . . . . . rr_2l2w 1
. 20 . 3841 . 1 1 10 . N N -5.402 5.065 -1.171 . . . 1.0 . . . . . . . . . . . . A . 9 DCY N . . . . . . . . . rr_2l2w 1
. 20 . 3842 . 1 1 10 . O O -6.307 5.789 2.189 . . . 1.0 . . . . . . . . . . . . A . 9 DCY O . . . . . . . . . rr_2l2w 1
. 20 . 3843 . 1 1 10 . SG S -5.376 7.589 -1.761 . . . 1.0 . . . . . . . . . . . . A . 9 DCY SG . . . . . . . . . rr_2l2w 1
. 20 . 3844 . 1 1 11 . C C -4.919 3.100 3.360 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 C . . . . . . . . . rr_2l2w 1
. 20 . 3845 . 1 1 11 . CA C -6.220 3.038 2.553 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CA . . . . . . . . . rr_2l2w 1
. 20 . 3846 . 1 1 11 . CB C -6.690 1.558 2.329 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CB . . . . . . . . . rr_2l2w 1
. 20 . 3847 . 1 1 11 . CD1 C -8.679 0.274 1.207 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CD1 . . . . . . . . . rr_2l2w 1
. 20 . 3848 . 1 1 11 . CG1 C -7.984 1.611 1.440 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG1 . . . . . . . . . rr_2l2w 1
. 20 . 3849 . 1 1 11 . CG2 C -6.971 0.886 3.638 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG2 . . . . . . . . . rr_2l2w 1
. 20 . 3850 . 1 1 11 . H H -5.860 3.227 0.470 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 H . . . . . . . . . rr_2l2w 1
. 20 . 3851 . 1 1 11 . HA H -6.990 3.556 3.107 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HA . . . . . . . . . rr_2l2w 1
. 20 . 3852 . 1 1 11 . HD11 H -9.426 0.386 0.435 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD11 . . . . . . . . . rr_2l2w 1
. 20 . 3853 . 1 1 11 . HD12 H -9.154 -0.049 2.121 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD12 . . . . . . . . . rr_2l2w 1
. 20 . 3854 . 1 1 11 . HD13 H -7.953 -0.461 0.900 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD13 . . . . . . . . . rr_2l2w 1
. 20 . 3855 . 1 1 11 . HD2 H -9.673 2.626 1.565 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD2 . . . . . . . . . rr_2l2w 1
. 20 . 3856 . 1 1 11 . HG1 H -7.738 2.032 0.477 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG1 . . . . . . . . . rr_2l2w 1
. 20 . 3857 . 1 1 11 . HG21 H -7.749 1.424 4.160 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG21 . . . . . . . . . rr_2l2w 1
. 20 . 3858 . 1 1 11 . HG22 H -6.075 0.877 4.240 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG22 . . . . . . . . . rr_2l2w 1
. 20 . 3859 . 1 1 11 . HG23 H -7.293 -0.129 3.461 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG23 . . . . . . . . . rr_2l2w 1
. 20 . 3860 . 1 1 11 . HG3 H -4.915 0.742 2.209 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG3 . . . . . . . . . rr_2l2w 1
. 20 . 3861 . 1 1 11 . N N -6.071 3.739 1.280 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 N . . . . . . . . . rr_2l2w 1
. 20 . 3862 . 1 1 11 . OD2 O -8.893 2.496 2.109 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OD2 . . . . . . . . . rr_2l2w 1
. 20 . 3863 . 1 1 11 . OG3 O -5.678 0.852 1.636 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OG3 . . . . . . . . . rr_2l2w 1
. 20 . 3864 . 1 1 12 . C C -1.450 2.349 3.843 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 C . . . . . . . . . rr_2l2w 1
. 20 . 3865 . 1 1 12 . CA C -2.824 2.807 3.948 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CA . . . . . . . . . rr_2l2w 1
. 20 . 3866 . 1 1 12 . CB C -3.275 3.554 5.080 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CB . . . . . . . . . rr_2l2w 1
. 20 . 3867 . 1 1 12 . HB H -2.669 3.837 5.927 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 HB . . . . . . . . . rr_2l2w 1
. 20 . 3868 . 1 1 12 . N N -3.781 2.579 3.013 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 N . . . . . . . . . rr_2l2w 1
. 20 . 3869 . 1 1 12 . O O -0.586 2.573 4.691 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 O . . . . . . . . . rr_2l2w 1
. 20 . 3870 . 1 1 12 . SG S -4.902 3.917 4.873 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 SG . . . . . . . . . rr_2l2w 1
. 20 . 3871 . 1 1 13 THR C C 0.755 1.893 1.268 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_2l2w 1
. 20 . 3872 . 1 1 13 THR CA C 0.150 1.159 2.450 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_2l2w 1
. 20 . 3873 . 1 1 13 THR CB C 0.187 -0.361 2.201 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_2l2w 1
. 20 . 3874 . 1 1 13 THR CG2 C 0.006 -1.129 3.490 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_2l2w 1
. 20 . 3875 . 1 1 13 THR H H -1.926 1.462 2.108 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_2l2w 1
. 20 . 3876 . 1 1 13 THR HA H 0.757 1.355 3.320 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_2l2w 1
. 20 . 3877 . 1 1 13 THR HB H 1.146 -0.628 1.776 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_2l2w 1
. 20 . 3878 . 1 1 13 THR HG21 H -0.343 -2.125 3.268 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_2l2w 1
. 20 . 3879 . 1 1 13 THR HG22 H -0.713 -0.621 4.116 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_2l2w 1
. 20 . 3880 . 1 1 13 THR HG23 H 0.956 -1.187 3.999 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_2l2w 1
. 20 . 3881 . 1 1 13 THR N N -1.199 1.650 2.737 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_2l2w 1
. 20 . 3882 . 1 1 13 THR OG1 O -0.906 -0.777 1.287 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_2l2w 1
. 20 . 3883 . 1 1 14 . C C 3.483 2.185 -1.017 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 C . . . . . . . . . rr_2l2w 1
. 20 . 3884 . 1 1 14 . CA C 2.192 2.399 -0.291 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CA . . . . . . . . . rr_2l2w 1
. 20 . 3885 . 1 1 14 . CB C 1.200 3.393 -0.573 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CB . . . . . . . . . rr_2l2w 1
. 20 . 3886 . 1 1 14 . HB H 1.252 4.132 -1.358 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 HB . . . . . . . . . rr_2l2w 1
. 20 . 3887 . 1 1 14 . N N 1.890 1.595 0.742 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 N . . . . . . . . . rr_2l2w 1
. 20 . 3888 . 1 1 14 . SG S -0.062 3.213 0.531 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 SG . . . . . . . . . rr_2l2w 1
. 20 . 3889 . 1 1 15 . C C 6.641 2.387 0.953 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 C . . . . . . . . . rr_2l2w 1
. 20 . 3890 . 1 1 15 . CA C 5.677 1.985 -0.095 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CA . . . . . . . . . rr_2l2w 1
. 20 . 3891 . 1 1 15 . CB C 6.151 1.013 -1.094 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CB . . . . . . . . . rr_2l2w 1
. 20 . 3892 . 1 1 15 . HB2 H 6.363 0.077 -0.600 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB2 . . . . . . . . . rr_2l2w 1
. 20 . 3893 . 1 1 15 . HB3 H 7.057 1.380 -1.553 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB3 . . . . . . . . . rr_2l2w 1
. 20 . 3894 . 1 1 15 . N N 4.511 2.527 -0.019 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 N . . . . . . . . . rr_2l2w 1
. 20 . 3895 . 1 1 16 . C C 9.907 2.154 2.353 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 C . . . . . . . . . rr_2l2w 1
. 20 . 3896 . 1 1 16 . CA C 8.525 2.474 2.061 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CA . . . . . . . . . rr_2l2w 1
. 20 . 3897 . 1 1 16 . CB C 7.752 3.372 2.864 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CB . . . . . . . . . rr_2l2w 1
. 20 . 3898 . 1 1 16 . HB H 8.101 3.889 3.745 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 HB . . . . . . . . . rr_2l2w 1
. 20 . 3899 . 1 1 16 . N N 7.855 1.954 1.008 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 N . . . . . . . . . rr_2l2w 1
. 20 . 3900 . 1 1 16 . O O 10.539 2.609 3.306 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 O . . . . . . . . . rr_2l2w 1
. 20 . 3901 . 1 1 16 . SG S 6.204 3.484 2.203 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 SG . . . . . . . . . rr_2l2w 1
. 20 . 3902 . 1 1 17 DHA C C 12.063 -0.094 0.313 . . . 1.0 . . . . . . . . . . . . A . 16 DHA C . . . . . . . . . rr_2l2w 1
. 20 . 3903 . 1 1 17 DHA CA C 11.808 0.788 1.442 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CA . . . . . . . . . rr_2l2w 1
. 20 . 3904 . 1 1 17 DHA CB C 12.758 1.066 2.325 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CB . . . . . . . . . rr_2l2w 1
. 20 . 3905 . 1 1 17 DHA H H 9.824 0.995 0.755 . . . 1.0 . . . . . . . . . . . . A . 16 DHA H . . . . . . . . . rr_2l2w 1
. 20 . 3906 . 1 1 17 DHA HB1 H 12.552 1.724 3.154 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB1 . . . . . . . . . rr_2l2w 1
. 20 . 3907 . 1 1 17 DHA HB2 H 13.741 0.634 2.213 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB2 . . . . . . . . . rr_2l2w 1
. 20 . 3908 . 1 1 17 DHA N N 10.427 1.303 1.464 . . . 1.0 . . . . . . . . . . . . A . 16 DHA N . . . . . . . . . rr_2l2w 1
. 20 . 3909 . 1 1 17 DHA O O 11.126 -0.296 -0.458 . . . 1.0 . . . . . . . . . . . . A . 16 DHA O . . . . . . . . . rr_2l2w 1
. 20 . 3910 . 1 1 18 DHA C C 15.066 -2.011 -0.776 . . . 1.0 . . . . . . . . . . . . A . 17 DHA C . . . . . . . . . rr_2l2w 1
. 20 . 3911 . 1 1 18 DHA CA C 13.700 -1.536 -0.930 . . . 1.0 . . . . . . . . . . . . A . 17 DHA CA . . . . . . . . . rr_2l2w 1
. 20 . 3912 . 1 1 18 DHA CB C 12.959 -1.905 -1.967 . . . 1.0 . . . . . . . . . . . . A . 17 DHA CB . . . . . . . . . rr_2l2w 1
. 20 . 3913 . 1 1 18 DHA H H 13.940 -0.424 0.847 . . . 1.0 . . . . . . . . . . . . A . 17 DHA H . . . . . . . . . rr_2l2w 1
. 20 . 3914 . 1 1 18 DHA HB1 H 11.947 -1.545 -2.068 . . . 1.0 . . . . . . . . . . . . A . 17 DHA HB1 . . . . . . . . . rr_2l2w 1
. 20 . 3915 . 1 1 18 DHA HB2 H 13.369 -2.569 -2.713 . . . 1.0 . . . . . . . . . . . . A . 17 DHA HB2 . . . . . . . . . rr_2l2w 1
. 20 . 3916 . 1 1 18 DHA N N 13.274 -0.640 0.162 . . . 1.0 . . . . . . . . . . . . A . 17 DHA N . . . . . . . . . rr_2l2w 1
. 20 . 3917 . 1 1 18 DHA O O 15.691 -1.625 0.212 . . . 1.0 . . . . . . . . . . . . A . 17 DHA O . . . . . . . . . rr_2l2w 1
. 20 . 3918 . 1 1 19 NH2 HN1 H 16.507 -3.146 -1.572 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN1 . . . . . . . . . rr_2l2w 1
. 20 . 3919 . 1 1 19 NH2 HN2 H 15.044 -3.106 -2.451 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN2 . . . . . . . . . rr_2l2w 1
. 20 . 3920 . 1 1 19 NH2 N N 15.586 -2.829 -1.684 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 N . . . . . . . . . rr_2l2w 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_2l2w
_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 2l2w.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_2l2w 1
1 2l2w.mr . . XPLOR/CNS 2 distance NOE simple 193 rr_2l2w 1
1 2l2w.mr . . XPLOR/CNS 3 distance NOE ambi 38 rr_2l2w 1
1 2l2w.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_2l2w 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_2l2w
_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: '2l2w'" . . . . distance "general distance" . 166 rr_2l2w 1
2 "From CCPN project: '2l2w'" . . . . distance "general distance" . 25 rr_2l2w 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 2l2w.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_2l2w 1
1 2l2w.mr . . XPLOR/CNS 2 distance NOE simple 193 rr_2l2w 1
1 2l2w.mr . . XPLOR/CNS 3 distance NOE ambi 38 rr_2l2w 1
1 2l2w.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_2l2w 1
stop_
save_
save_CNS/XPLOR_distance_constraints_2
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_2
_Gen_dist_constraint_list.Entry_ID rr_2l2w
_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_2l2w 1
stop_
loop_
_Gen_dist_constraint.ID
_Gen_dist_constraint.Member_ID
_Gen_dist_constraint.Member_logic_code
_Gen_dist_constraint.Assembly_atom_ID_1
_Gen_dist_constraint.Entity_assembly_ID_1
_Gen_dist_constraint.Entity_ID_1
_Gen_dist_constraint.Comp_index_ID_1
_Gen_dist_constraint.Seq_ID_1
_Gen_dist_constraint.Comp_ID_1
_Gen_dist_constraint.Atom_ID_1
_Gen_dist_constraint.Atom_type_1
_Gen_dist_constraint.Atom_isotope_number_1
_Gen_dist_constraint.Resonance_ID_1
_Gen_dist_constraint.Assembly_atom_ID_2
_Gen_dist_constraint.Entity_assembly_ID_2
_Gen_dist_constraint.Entity_ID_2
_Gen_dist_constraint.Comp_index_ID_2
_Gen_dist_constraint.Seq_ID_2
_Gen_dist_constraint.Comp_ID_2
_Gen_dist_constraint.Atom_ID_2
_Gen_dist_constraint.Atom_type_2
_Gen_dist_constraint.Atom_isotope_number_2
_Gen_dist_constraint.Resonance_ID_2
_Gen_dist_constraint.Intensity_val
_Gen_dist_constraint.Intensity_lower_val_err
_Gen_dist_constraint.Intensity_upper_val_err
_Gen_dist_constraint.Distance_val
_Gen_dist_constraint.Distance_lower_bound_val
_Gen_dist_constraint.Distance_upper_bound_val
_Gen_dist_constraint.Contribution_fractional_val
_Gen_dist_constraint.Spectral_peak_ID
_Gen_dist_constraint.Spectral_peak_list_ID
_Gen_dist_constraint.PDB_record_ID_1
_Gen_dist_constraint.PDB_model_num_1
_Gen_dist_constraint.PDB_strand_ID_1
_Gen_dist_constraint.PDB_ins_code_1
_Gen_dist_constraint.PDB_residue_no_1
_Gen_dist_constraint.PDB_residue_name_1
_Gen_dist_constraint.PDB_atom_name_1
_Gen_dist_constraint.PDB_record_ID_2
_Gen_dist_constraint.PDB_model_num_2
_Gen_dist_constraint.PDB_strand_ID_2
_Gen_dist_constraint.PDB_ins_code_2
_Gen_dist_constraint.PDB_residue_no_2
_Gen_dist_constraint.PDB_residue_name_2
_Gen_dist_constraint.PDB_atom_name_2
_Gen_dist_constraint.Auth_entity_assembly_ID_1
_Gen_dist_constraint.Auth_asym_ID_1
_Gen_dist_constraint.Auth_chain_ID_1
_Gen_dist_constraint.Auth_seq_ID_1
_Gen_dist_constraint.Auth_comp_ID_1
_Gen_dist_constraint.Auth_atom_ID_1
_Gen_dist_constraint.Auth_alt_ID_1
_Gen_dist_constraint.Auth_atom_name_1
_Gen_dist_constraint.Auth_entity_assembly_ID_2
_Gen_dist_constraint.Auth_asym_ID_2
_Gen_dist_constraint.Auth_chain_ID_2
_Gen_dist_constraint.Auth_seq_ID_2
_Gen_dist_constraint.Auth_comp_ID_2
_Gen_dist_constraint.Auth_atom_ID_2
_Gen_dist_constraint.Auth_alt_ID_2
_Gen_dist_constraint.Auth_atom_name_2
_Gen_dist_constraint.Entry_ID
_Gen_dist_constraint.Gen_dist_constraint_list_ID
1 1 . . 1 1 1 1 QUA HC3 H . . . 1 1 1 1 QUA HC5 H . . . . . 4.05 2.00 6.10 . . . . . A . . QUA HC3 . . A . . QUA HC5 . . . 0 . HC3 . . . . . 0 . HC5 . . rr_2l2w 1
2 1 . . 1 1 1 1 QUA HC3 H . . . 1 1 1 1 QUA HC8 H . . . . . 5.25 0.43 6.50 . . . . . A . . QUA HC3 . . A . . QUA HC8 . . . 0 . HC3 . . . . . 0 . HC8 . . rr_2l2w 1
3 1 . . 1 1 1 1 QUA HC5 H . . . 1 1 1 1 QUA HC6 H . . . . . 2.14 1.57 2.71 . . . . . A . . QUA HC5 . . A . . QUA HC6 . . . 0 . HC5 . . . . . 0 . HC6 . . rr_2l2w 1
4 1 . . 1 1 1 1 QUA HC5 H . . . 1 1 1 1 QUA HC71 H . . . . . 5.65 0.06 6.50 . . . . . A . . QUA HC5 . . A . . QUA HC71 . . . 0 . HC5 . . . . . 0 . HC71 . . rr_2l2w 1
5 1 . . 1 1 1 1 QUA HC5 H . . . 1 1 1 1 QUA HC8 H . . . . . 5.41 0.30 6.50 . . . . . A . . QUA HC5 . . A . . QUA HC8 . . . 0 . HC5 . . . . . 0 . HC8 . . rr_2l2w 1
6 1 . . 1 1 1 1 QUA HC5 H . . . 1 1 1 1 QUA H13 H . . . . . 1.87 1.43 2.31 . . . . . A . . QUA HC5 . . A . . QUA H13 . . . 0 . HC5 . . . . . 0 . H13 . . rr_2l2w 1
7 1 . . 1 1 1 1 QUA HC5 H . . . 1 1 1 1 QUA M14 H . . . . . 2.56 1.74 3.38 . . . . . A . . QUA HC5 . . A . . QUA M14 . . . 0 . HC5 . . . . . 0 . H14# . . rr_2l2w 1
8 1 . . 1 1 1 1 QUA HC6 H . . . 1 1 1 1 QUA HC71 H . . . . . 2.45 1.70 3.20 . . . . . A . . QUA HC6 . . A . . QUA HC71 . . . 0 . HC6 . . . . . 0 . HC71 . . rr_2l2w 1
9 1 . . 1 1 1 1 QUA HC8 H . . . 1 1 1 1 QUA HC6 H . . . . . 4.19 2.00 6.38 . . . . . A . . QUA HC8 . . A . . QUA HC6 . . . 0 . HC8 . . . . . 0 . HC6 . . rr_2l2w 1
10 1 . . 1 1 1 1 QUA HC6 H . . . 1 1 1 1 QUA H13 H . . . . . 4.41 1.98 6.50 . . . . . A . . QUA HC6 . . A . . QUA H13 . . . 0 . HC6 . . . . . 0 . H13 . . rr_2l2w 1
11 1 . . 1 1 1 1 QUA HC6 H . . . 1 1 1 1 QUA M14 H . . . . . 3.58 1.98 5.18 . . . . . A . . QUA HC6 . . A . . QUA M14 . . . 0 . HC6 . . . . . 0 . H14# . . rr_2l2w 1
12 1 . . 1 1 1 1 QUA HC8 H . . . 1 1 1 1 QUA HC71 H . . . . . 2.52 1.72 3.32 . . . . . A . . QUA HC8 . . A . . QUA HC71 . . . 0 . HC8 . . . . . 0 . HC71 . . rr_2l2w 1
13 1 . . 1 1 1 1 QUA H13 H . . . 1 1 1 1 QUA M14 H . . . . . 2.45 1.70 3.20 . . . . . A . . QUA H13 . . A . . QUA M14 . . . 0 . H13 . . . . . 0 . H14# . . rr_2l2w 1
14 1 . . 1 1 2 2 ILE HA H . . . 1 1 2 2 ILE HB H . . . . . 2.58 1.75 3.41 . . . . . A . 1 ILE HA . . A . 1 ILE HB . . . 1 . HA . . . . . 1 . HB . . rr_2l2w 1
15 1 . . 1 1 2 2 ILE HA H . . . 1 1 2 2 ILE MG H . . . . . 2.59 1.75 3.43 . . . . . A . 1 ILE HA . . A . 1 ILE MG . . . 1 . HA . . . . . 1 . HG2# . . rr_2l2w 1
16 1 . . 1 1 2 2 ILE HB H . . . 1 1 2 2 ILE HG13 H . . . . . 2.75 1.81 3.69 . . . . . A . 1 ILE HB . . A . 1 ILE HG13 . . . 1 . HB . . . . . 1 . HG13 . . rr_2l2w 1
17 1 . . 1 1 2 2 ILE HB H . . . 1 1 2 2 ILE MG H . . . . . 2.40 1.68 3.12 . . . . . A . 1 ILE HB . . A . 1 ILE MG . . . 1 . HB . . . . . 1 . HG2# . . rr_2l2w 1
18 1 . . 1 1 2 2 ILE HG12 H . . . 1 1 2 2 ILE MD H . . . . . 2.22 1.23 3.21 . . . . . A . 1 ILE HG12 . . A . 1 ILE MD . . . 1 . HG12 . . . . . 1 . HD1# . . rr_2l2w 1
19 1 . . 1 1 2 2 ILE HG13 H . . . 1 1 2 2 ILE MD H . . . . . 2.46 1.55 3.37 . . . . . A . 1 ILE HG13 . . A . 1 ILE MD . . . 1 . HG13 . . . . . 1 . HD1# . . rr_2l2w 1
20 1 . . 1 1 3 3 ALA H H . . . 1 1 3 3 ALA HA H . . . . . 2.49 1.72 3.26 . . . . . A . 2 ALA H . . A . 2 ALA HA . . . 2 . H . . . . . 2 . HA . . rr_2l2w 1
21 1 . . 1 1 3 3 ALA H H . . . 1 1 3 3 ALA MB H . . . . . 2.48 1.71 3.25 . . . . . A . 2 ALA H . . A . 2 ALA MB . . . 2 . H . . . . . 2 . HB# . . rr_2l2w 1
22 1 . . 1 1 3 3 ALA HA H . . . 1 1 3 3 ALA MB H . . . . . 2.49 1.71 3.27 . . . . . A . 2 ALA HA . . A . 2 ALA MB . . . 2 . HA . . . . . 2 . HB# . . rr_2l2w 1
23 1 . . 1 1 4 4 DHA H H . . . 1 1 4 4 DHA HB2 H . . . . . 4.00 1.60 6.40 . . . . . A . 3 DHA H . . A . 3 DHA HB2 . . . 3 . H . . . . . 3 . HB2 . . rr_2l2w 1
24 1 . . 1 1 4 4 DHA HB2 H . . . 1 1 4 4 DHA HB1 H . . . . . 1.56 1.25 2.20 . . . . . A . 3 DHA HB2 . . A . 3 DHA HB1 . . . 3 . HB2 . . . . . 3 . HB1 . . rr_2l2w 1
25 1 . . 1 1 5 5 ALA H H . . . 1 1 5 5 ALA HA H . . . . . 2.76 1.81 3.71 . . . . . A . 4 ALA H . . A . 4 ALA HA . . . 4 . H . . . . . 4 . HA . . rr_2l2w 1
26 1 . . 1 1 5 5 ALA H H . . . 1 1 5 5 ALA MB H . . . . . 2.56 1.74 3.38 . . . . . A . 4 ALA H . . A . 4 ALA MB . . . 4 . H . . . . . 4 . HB# . . rr_2l2w 1
27 1 . . 1 1 5 5 ALA HA H . . . 1 1 5 5 ALA MB H . . . . . 2.20 1.59 2.81 . . . . . A . 4 ALA HA . . A . 4 ALA MB . . . 4 . HA . . . . . 4 . HB# . . rr_2l2w 1
28 1 . . 1 1 6 6 SER H H . . . 1 1 6 6 SER HB2 H . . . . . 3.60 1.98 5.22 . . . . . A . 5 SER H . . A . 5 SER HB2 . . . 5 . H . . . . . 5 . HB2 . . rr_2l2w 1
29 1 . . 1 1 6 6 SER H H . . . 1 1 6 6 SER HB3 H . . . . . 4.03 2.00 6.06 . . . . . A . 5 SER H . . A . 5 SER HB3 . . . 5 . H . . . . . 5 . HB3 . . rr_2l2w 1
30 1 . . 1 1 6 6 SER HB2 H . . . 1 1 6 6 SER HB3 H . . . . . 1.79 1.39 2.20 . . . . . A . 5 SER HB2 . . A . 5 SER HB3 . . . 5 . HB2 . . . . . 5 . HB3 . . rr_2l2w 1
31 1 . . 1 1 8 8 THR H H . . . 1 1 8 8 THR HA H . . . . . 2.58 1.75 3.41 . . . . . A . 7 THR H . . A . 7 THR HA . . . 7 . H . . . . . 7 . HA . . rr_2l2w 1
32 1 . . 1 1 8 8 THR H H . . . 1 1 8 8 THR HB H . . . . . 3.06 1.89 4.23 . . . . . A . 7 THR H . . A . 7 THR HB . . . 7 . H . . . . . 7 . HB . . rr_2l2w 1
33 1 . . 1 1 8 8 THR H H . . . 1 1 8 8 THR MG H . . . . . 2.54 1.73 3.35 . . . . . A . 7 THR H . . A . 7 THR MG . . . 7 . H . . . . . 7 . HG2# . . rr_2l2w 1
34 1 . . 1 1 8 8 THR HA H . . . 1 1 8 8 THR HB H . . . . . 2.47 1.71 3.23 . . . . . A . 7 THR HA . . A . 7 THR HB . . . 7 . HA . . . . . 7 . HB . . rr_2l2w 1
35 1 . . 1 1 8 8 THR HA H . . . 1 1 8 8 THR MG H . . . . . 3.34 1.94 4.74 . . . . . A . 7 THR HA . . A . 7 THR MG . . . 7 . HA . . . . . 7 . HG2# . . rr_2l2w 1
36 1 . . 1 1 8 8 THR HB H . . . 1 1 8 8 THR MG H . . . . . 2.21 1.60 2.82 . . . . . A . 7 THR HB . . A . 7 THR MG . . . 7 . HB . . . . . 7 . HG2# . . rr_2l2w 1
37 1 . . 1 1 10 10 Dcy HA H . . . 1 1 10 10 Dcy HB2 H . . . . . 2.87 1.84 3.90 . . . . . A . 9 DCY HA . . A . 9 DCY HB2 . . . 9 . HA . . . . . 9 . HB2 . . rr_2l2w 1
38 1 . . 1 1 10 10 Dcy HA H . . . 1 1 10 10 Dcy HB3 H . . . . . 3.37 1.95 4.79 . . . . . A . 9 DCY HA . . A . 9 DCY HB3 . . . 9 . HA . . . . . 9 . HB3 . . rr_2l2w 1
39 1 . . 1 1 10 10 Dcy HB2 H . . . 1 1 10 10 Dcy HB3 H . . . . . 2.49 1.71 3.27 . . . . . A . 9 DCY HB2 . . A . 9 DCY HB3 . . . 9 . HB2 . . . . . 9 . HB3 . . rr_2l2w 1
40 1 . . 1 1 11 11 Ts9 H H . . . 1 1 11 11 Ts9 HA H . . . . . 2.47 1.71 3.23 . . . . . A . 10 TS9 H . . A . 10 TS9 HA . . . 10 . H . . . . . 10 . HA . . rr_2l2w 1
41 1 . . 1 1 11 11 Ts9 H H . . . 1 1 11 11 Ts9 HG1 H . . . . . 2.53 1.73 3.33 . . . . . A . 10 TS9 H . . A . 10 TS9 HG1 . . . 10 . H . . . . . 10 . HG1 . . rr_2l2w 1
42 1 . . 1 1 11 11 Ts9 HA H . . . 1 1 11 11 Ts9 HG1 H . . . . . 3.13 1.91 4.35 . . . . . A . 10 TS9 HA . . A . 10 TS9 HG1 . . . 10 . HA . . . . . 10 . HG1 . . rr_2l2w 1
43 1 . . 1 1 13 13 THR H H . . . 1 1 13 13 THR HA H . . . . . 2.72 1.80 3.64 . . . . . A . 12 THR H . . A . 12 THR HA . . . 12 . H . . . . . 12 . HA . . rr_2l2w 1
44 1 . . 1 1 13 13 THR H H . . . 1 1 13 13 THR HB H . . . . . 3.30 1.94 4.66 . . . . . A . 12 THR H . . A . 12 THR HB . . . 12 . H . . . . . 12 . HB . . rr_2l2w 1
45 1 . . 1 1 13 13 THR H H . . . 1 1 13 13 THR MG H . . . . . 2.66 1.77 3.55 . . . . . A . 12 THR H . . A . 12 THR MG . . . 12 . H . . . . . 12 . HG2# . . rr_2l2w 1
46 1 . . 1 1 13 13 THR HA H . . . 1 1 13 13 THR HB H . . . . . 2.37 1.67 3.07 . . . . . A . 12 THR HA . . A . 12 THR HB . . . 12 . HA . . . . . 12 . HB . . rr_2l2w 1
47 1 . . 1 1 13 13 THR HA H . . . 1 1 13 13 THR MG H . . . . . 2.36 1.66 3.06 . . . . . A . 12 THR HA . . A . 12 THR MG . . . 12 . HA . . . . . 12 . HG2# . . rr_2l2w 1
48 1 . . 1 1 13 13 THR HB H . . . 1 1 13 13 THR MG H . . . . . 2.16 1.58 2.74 . . . . . A . 12 THR HB . . A . 12 THR MG . . . 12 . HB . . . . . 12 . HG2# . . rr_2l2w 1
49 1 . . 1 1 15 15 Mh6 HB2 H . . . 1 1 15 15 Mh6 HB3 H . . . . . 2.25 1.61 2.89 . . . . . A . 14 MH6 HB2 . . A . 14 MH6 HB3 . . . 14 . HB2 . . . . . 14 . HB3 . . rr_2l2w 1
50 1 . . 1 1 17 17 DHA H H . . . 1 1 17 17 DHA HB1 H . . . . . 3.43 1.96 4.90 . . . . . A . 16 DHA H . . A . 16 DHA HB1 . . . 16 . H . . . . . 16 . HB1 . . rr_2l2w 1
51 1 . . 1 1 17 17 DHA H H . . . 1 1 17 17 DHA HB2 H . . . . . 3.59 1.98 5.20 . . . . . A . 16 DHA H . . A . 16 DHA HB2 . . . 16 . H . . . . . 16 . HB2 . . rr_2l2w 1
52 1 . . 1 1 17 17 DHA HB1 H . . . 1 1 17 17 DHA HB2 H . . . . . 1.70 1.34 2.20 . . . . . A . 16 DHA HB1 . . A . 16 DHA HB2 . . . 16 . HB1 . . . . . 16 . HB2 . . rr_2l2w 1
53 1 . . 1 1 18 18 DHA H H . . . 1 1 18 18 DHA HB1 H . . . . . 3.96 1.22 6.50 . . . . . A . 17 DHA H . . A . 17 DHA HB1 . . . 17 . H . . . . . 17 . HB1 . . rr_2l2w 1
54 1 . . 1 1 18 18 DHA H H . . . 1 1 18 18 DHA HB2 H . . . . . 4.02 0.79 6.50 . . . . . A . 17 DHA H . . A . 17 DHA HB2 . . . 17 . H . . . . . 17 . HB2 . . rr_2l2w 1
55 1 . . 1 1 18 18 DHA HB1 H . . . 1 1 18 18 DHA HB2 H . . . . . 1.78 1.39 2.20 . . . . . A . 17 DHA HB1 . . A . 17 DHA HB2 . . . 17 . HB1 . . . . . 17 . HB2 . . rr_2l2w 1
56 1 . . 1 1 19 19 NH2 HN1 H . . . 1 1 19 19 NH2 HN2 H . . . . . 1.68 1.26 2.20 . . . . . A . 18 NH2 HN1 . . A . 18 NH2 HN2 . . . 18 . HN1 . . . . . 18 . HN2 . . rr_2l2w 1
57 1 . . 1 1 1 1 QUA HC6 H . . . 1 1 2 2 ILE HA H . . . . . 4.50 1.97 6.50 . . . . . A . . QUA HC6 . . A . 1 ILE HA . . . 0 . HC6 . . . . . 1 . HA . . rr_2l2w 1
58 1 . . 1 1 1 1 QUA HC71 H . . . 1 1 2 2 ILE HA H . . . . . 2.48 1.71 3.25 . . . . . A . . QUA HC71 . . A . 1 ILE HA . . . 0 . HC71 . . . . . 1 . HA . . rr_2l2w 1
59 1 . . 1 1 1 1 QUA HC71 H . . . 1 1 2 2 ILE MG H . . . . . 3.04 1.88 4.20 . . . . . A . . QUA HC71 . . A . 1 ILE MG . . . 0 . HC71 . . . . . 1 . HG2# . . rr_2l2w 1
60 1 . . 1 1 1 1 QUA HC8 H . . . 1 1 2 2 ILE HA H . . . . . 2.17 1.58 2.76 . . . . . A . . QUA HC8 . . A . 1 ILE HA . . . 0 . HC8 . . . . . 1 . HA . . rr_2l2w 1
61 1 . . 1 1 1 1 QUA HC8 H . . . 1 1 2 2 ILE HB H . . . . . 4.78 1.92 6.50 . . . . . A . . QUA HC8 . . A . 1 ILE HB . . . 0 . HC8 . . . . . 1 . HB . . rr_2l2w 1
62 1 . . 1 1 1 1 QUA HC8 H . . . 1 1 2 2 ILE HG12 H . . . . . 3.76 2.00 5.52 . . . . . A . . QUA HC8 . . A . 1 ILE HG12 . . . 0 . HC8 . . . . . 1 . HG12 . . rr_2l2w 1
63 1 . . 1 1 2 2 ILE HA H . . . 1 1 3 3 ALA H H . . . . . 3.14 1.91 4.37 . . . . . A . 1 ILE HA . . A . 2 ALA H . . . 1 . HA . . . . . 2 . H . . rr_2l2w 1
64 1 . . 1 1 2 2 ILE HA H . . . 1 1 3 3 ALA HA H . . . . . 4.46 0.98 6.50 . . . . . A . 1 ILE HA . . A . 2 ALA HA . . . 1 . HA . . . . . 2 . HA . . rr_2l2w 1
65 1 . . 1 1 2 2 ILE HA H . . . 1 1 3 3 ALA MB H . . . . . 2.70 1.79 3.61 . . . . . A . 1 ILE HA . . A . 2 ALA MB . . . 1 . HA . . . . . 2 . HB# . . rr_2l2w 1
66 1 . . 1 1 2 2 ILE HB H . . . 1 1 3 3 ALA H H . . . . . 3.23 1.93 4.53 . . . . . A . 1 ILE HB . . A . 2 ALA H . . . 1 . HB . . . . . 2 . H . . rr_2l2w 1
67 1 . . 1 1 2 2 ILE HB H . . . 1 1 3 3 ALA MB H . . . . . 3.09 1.90 4.28 . . . . . A . 1 ILE HB . . A . 2 ALA MB . . . 1 . HB . . . . . 2 . HB# . . rr_2l2w 1
68 1 . . 1 1 2 2 ILE HG13 H . . . 1 1 3 3 ALA H H . . . . . 2.98 1.87 4.09 . . . . . A . 1 ILE HG13 . . A . 2 ALA H . . . 1 . HG13 . . . . . 2 . H . . rr_2l2w 1
69 1 . . 1 1 3 3 ALA H H . . . 1 1 4 4 DHA HB1 H . . . . . 3.24 1.66 4.82 . . . . . A . 2 ALA H . . A . 3 DHA HB1 . . . 2 . H . . . . . 3 . HB1 . . rr_2l2w 1
70 1 . . 1 1 3 3 ALA HA H . . . 1 1 4 4 DHA H H . . . . . 2.13 1.56 2.70 . . . . . A . 2 ALA HA . . A . 3 DHA H . . . 2 . HA . . . . . 3 . H . . rr_2l2w 1
71 1 . . 1 1 3 3 ALA MB H . . . 1 1 4 4 DHA H H . . . . . 2.72 1.80 3.64 . . . . . A . 2 ALA MB . . A . 3 DHA H . . . 2 . HB# . . . . . 3 . H . . rr_2l2w 1
72 1 . . 1 1 3 3 ALA MB H . . . 1 1 4 4 DHA HB2 H . . . . . 4.71 0.83 6.50 . . . . . A . 2 ALA MB . . A . 3 DHA HB2 . . . 2 . HB# . . . . . 3 . HB2 . . rr_2l2w 1
73 1 . . 1 1 4 4 DHA H H . . . 1 1 5 5 ALA HA H . . . . . 4.01 1.20 6.50 . . . . . A . 3 DHA H . . A . 4 ALA HA . . . 3 . H . . . . . 4 . HA . . rr_2l2w 1
74 1 . . 1 1 4 4 DHA H H . . . 1 1 5 5 ALA MB H . . . . . 2.83 1.43 4.23 . . . . . A . 3 DHA H . . A . 4 ALA MB . . . 3 . H . . . . . 4 . HB# . . rr_2l2w 1
75 1 . . 1 1 4 4 DHA HB1 H . . . 1 1 5 5 ALA H H . . . . . 3.78 1.99 5.57 . . . . . A . 3 DHA HB1 . . A . 4 ALA H . . . 3 . HB1 . . . . . 4 . H . . rr_2l2w 1
76 1 . . 1 1 4 4 DHA HB2 H . . . 1 1 5 5 ALA H H . . . . . 1.79 1.39 2.20 . . . . . A . 3 DHA HB2 . . A . 4 ALA H . . . 3 . HB2 . . . . . 4 . H . . rr_2l2w 1
77 1 . . 1 1 4 4 DHA HB2 H . . . 1 1 5 5 ALA HA H . . . . . 5.26 1.11 6.50 . . . . . A . 3 DHA HB2 . . A . 4 ALA HA . . . 3 . HB2 . . . . . 4 . HA . . rr_2l2w 1
78 1 . . 1 1 4 4 DHA HB2 H . . . 1 1 5 5 ALA MB H . . . . . 4.27 1.99 6.50 . . . . . A . 3 DHA HB2 . . A . 4 ALA MB . . . 3 . HB2 . . . . . 4 . HB# . . rr_2l2w 1
79 1 . . 1 1 5 5 ALA H H . . . 1 1 6 6 SER H H . . . . . 3.53 1.35 5.71 . . . . . A . 4 ALA H . . A . 5 SER H . . . 4 . H . . . . . 5 . H . . rr_2l2w 1
80 1 . . 1 1 5 5 ALA HA H . . . 1 1 6 6 SER H H . . . . . 2.05 1.53 2.57 . . . . . A . 4 ALA HA . . A . 5 SER H . . . 4 . HA . . . . . 5 . H . . rr_2l2w 1
81 1 . . 1 1 5 5 ALA MB H . . . 1 1 6 6 SER H H . . . . . 3.38 1.95 4.81 . . . . . A . 4 ALA MB . . A . 5 SER H . . . 4 . HB# . . . . . 5 . H . . rr_2l2w 1
82 1 . . 1 1 6 6 SER HB2 H . . . 1 1 7 7 Bb9 HB H . . . . . 3.23 1.40 5.06 . . . . . A . 5 SER HB2 . . A . 6 BB9 HB . . . 5 . HB2 . . . . . 6 . HB . . rr_2l2w 1
83 1 . . 1 1 6 6 SER HB3 H . . . 1 1 7 7 Bb9 HB H . . . . . 3.19 1.41 4.97 . . . . . A . 5 SER HB3 . . A . 6 BB9 HB . . . 5 . HB3 . . . . . 6 . HB . . rr_2l2w 1
84 1 . . 1 1 8 8 THR H H . . . 1 1 7 7 Bb9 HB H . . . . . 3.84 1.26 6.42 . . . . . A . 7 THR H . . A . 6 BB9 HB . . . 7 . H . . . . . 6 . HB . . rr_2l2w 1
85 1 . . 1 1 8 8 THR HA H . . . 1 1 7 7 Bb9 HB H . . . . . 4.62 0.89 6.50 . . . . . A . 7 THR HA . . A . 6 BB9 HB . . . 7 . HA . . . . . 6 . HB . . rr_2l2w 1
86 1 . . 1 1 8 8 THR MG H . . . 1 1 7 7 Bb9 HB H . . . . . 5.82 0.00 6.50 . . . . . A . 7 THR MG . . A . 6 BB9 HB . . . 7 . HG2# . . . . . 6 . HB . . rr_2l2w 1
87 1 . . 1 1 8 8 THR H H . . . 1 1 9 9 DBU HG* H . . . . . 2.65 1.60 3.70 . . . . . A . 7 THR H . . A . 8 DBU HG* . . . 7 . H . . . . . 8 . HG# . . rr_2l2w 1
88 1 . . 1 1 8 8 THR HA H . . . 1 1 9 9 DBU HG* H . . . . . 3.39 1.96 4.82 . . . . . A . 7 THR HA . . A . 8 DBU HG* . . . 7 . HA . . . . . 8 . HG# . . rr_2l2w 1
89 1 . . 1 1 10 10 Dcy HA H . . . 1 1 11 11 Ts9 H H . . . . . 2.82 1.83 3.81 . . . . . A . 9 DCY HA . . A . 10 TS9 H . . . 9 . HA . . . . . 10 . H . . rr_2l2w 1
90 1 . . 1 1 10 10 Dcy HA H . . . 1 1 11 11 Ts9 HA H . . . . . 4.89 0.71 6.50 . . . . . A . 9 DCY HA . . A . 10 TS9 HA . . . 9 . HA . . . . . 10 . HA . . rr_2l2w 1
91 1 . . 1 1 10 10 Dcy HA H . . . 1 1 11 11 Ts9 HG1 H . . . . . 3.94 2.00 5.88 . . . . . A . 9 DCY HA . . A . 10 TS9 HG1 . . . 9 . HA . . . . . 10 . HG1 . . rr_2l2w 1
92 1 . . 1 1 10 10 Dcy HB2 H . . . 1 1 11 11 Ts9 H H . . . . . 3.87 2.00 5.74 . . . . . A . 9 DCY HB2 . . A . 10 TS9 H . . . 9 . HB2 . . . . . 10 . H . . rr_2l2w 1
93 1 . . 1 1 10 10 Dcy HB2 H . . . 1 1 11 11 Ts9 HA H . . . . . 3.44 1.37 5.51 . . . . . A . 9 DCY HB2 . . A . 10 TS9 HA . . . 9 . HB2 . . . . . 10 . HA . . rr_2l2w 1
94 1 . . 1 1 11 11 Ts9 HA H . . . 1 1 12 12 Bb9 HB H . . . . . 3.23 1.40 5.06 . . . . . A . 10 TS9 HA . . A . 11 BB9 HB . . . 10 . HA . . . . . 11 . HB . . rr_2l2w 1
95 1 . . 1 1 13 13 THR H H . . . 1 1 12 12 Bb9 HB H . . . . . 4.41 1.49 6.50 . . . . . A . 12 THR H . . A . 11 BB9 HB . . . 12 . H . . . . . 11 . HB . . rr_2l2w 1
96 1 . . 1 1 13 13 THR HA H . . . 1 1 12 12 Bb9 HB H . . . . . 4.53 0.95 6.50 . . . . . A . 12 THR HA . . A . 11 BB9 HB . . . 12 . HA . . . . . 11 . HB . . rr_2l2w 1
97 1 . . 1 1 13 13 THR MG H . . . 1 1 12 12 Bb9 HB H . . . . . 3.09 1.90 4.28 . . . . . A . 12 THR MG . . A . 11 BB9 HB . . . 12 . HG2# . . . . . 11 . HB . . rr_2l2w 1
98 1 . . 1 1 13 13 THR HA H . . . 1 1 14 14 Bb9 HB H . . . . . 4.18 1.56 6.50 . . . . . A . 12 THR HA . . A . 13 BB9 HB . . . 12 . HA . . . . . 13 . HB . . rr_2l2w 1
99 1 . . 1 1 17 17 DHA H H . . . 1 1 16 16 Bb9 HB H . . . . . 4.39 1.01 6.50 . . . . . A . 16 DHA H . . A . 15 BB9 HB . . . 16 . H . . . . . 15 . HB . . rr_2l2w 1
100 1 . . 1 1 17 17 DHA HB1 H . . . 1 1 16 16 Bb9 HB H . . . . . 4.66 0.86 6.50 . . . . . A . 16 DHA HB1 . . A . 15 BB9 HB . . . 16 . HB1 . . . . . 15 . HB . . rr_2l2w 1
101 1 . . 1 1 17 17 DHA H H . . . 1 1 18 18 DHA H H . . . . . 4.28 1.08 6.50 . . . . . A . 16 DHA H . . A . 17 DHA H . . . 16 . H . . . . . 17 . H . . rr_2l2w 1
102 1 . . 1 1 17 17 DHA H H . . . 1 1 18 18 DHA HB1 H . . . . . 4.36 1.03 6.50 . . . . . A . 16 DHA H . . A . 17 DHA HB1 . . . 16 . H . . . . . 17 . HB1 . . rr_2l2w 1
103 1 . . 1 1 17 17 DHA HB1 H . . . 1 1 18 18 DHA H H . . . . . 4.38 1.98 6.50 . . . . . A . 16 DHA HB1 . . A . 17 DHA H . . . 16 . HB1 . . . . . 17 . H . . rr_2l2w 1
104 1 . . 1 1 17 17 DHA HB2 H . . . 1 1 18 18 DHA H H . . . . . 1.99 1.50 2.48 . . . . . A . 16 DHA HB2 . . A . 17 DHA H . . . 16 . HB2 . . . . . 17 . H . . rr_2l2w 1
105 1 . . 1 1 18 18 DHA HB2 H . . . 1 1 19 19 NH2 HN1 H . . . . . 3.73 1.99 5.47 . . . . . A . 17 DHA HB2 . . A . 18 NH2 HN1 . . . 17 . HB2 . . . . . 18 . HN1 . . rr_2l2w 1
106 1 . . 1 1 18 18 DHA HB2 H . . . 1 1 19 19 NH2 HN2 H . . . . . 2.44 1.70 3.18 . . . . . A . 17 DHA HB2 . . A . 18 NH2 HN2 . . . 17 . HB2 . . . . . 18 . HN2 . . rr_2l2w 1
107 1 . . 1 1 1 1 QUA HC3 H . . . 1 1 13 13 THR MG H . . . . . 5.03 0.60 6.50 . . . . . A . . QUA HC3 . . A . 12 THR MG . . . 0 . HC3 . . . . . 12 . HG2# . . rr_2l2w 1
108 1 . . 1 1 1 1 QUA HC8 H . . . 1 1 13 13 THR MG H . . . . . 4.17 1.13 6.50 . . . . . A . . QUA HC8 . . A . 12 THR MG . . . 0 . HC8 . . . . . 12 . HG2# . . rr_2l2w 1
109 1 . . 1 1 6 6 SER H H . . . 1 1 14 14 Bb9 HB H . . . . . 4.24 1.54 6.50 . . . . . A . 5 SER H . . A . 13 BB9 HB . . . 5 . H . . . . . 13 . HB . . rr_2l2w 1
110 1 . . 1 1 6 6 SER HB2 H . . . 1 1 14 14 Bb9 HB H . . . . . 6.50 0.00 6.50 . . . . . A . 5 SER HB2 . . A . 13 BB9 HB . . . 5 . HB2 . . . . . 13 . HB . . rr_2l2w 1
111 1 . . 1 1 6 6 SER HB3 H . . . 1 1 14 14 Bb9 HB H . . . . . 4.52 1.96 6.50 . . . . . A . 5 SER HB3 . . A . 13 BB9 HB . . . 5 . HB3 . . . . . 13 . HB . . rr_2l2w 1
112 1 . . 1 1 6 6 SER H H . . . 1 1 15 15 Mh6 HB2 H . . . . . 3.35 1.95 4.75 . . . . . A . 5 SER H . . A . 14 MH6 HB2 . . . 5 . H . . . . . 14 . HB2 . . rr_2l2w 1
113 1 . . 1 1 6 6 SER H H . . . 1 1 15 15 Mh6 HB3 H . . . . . 5.17 0.49 6.50 . . . . . A . 5 SER H . . A . 14 MH6 HB3 . . . 5 . H . . . . . 14 . HB3 . . rr_2l2w 1
114 1 . . 1 1 6 6 SER HB2 H . . . 1 1 15 15 Mh6 HB2 H . . . . . 2.68 1.78 3.58 . . . . . A . 5 SER HB2 . . A . 14 MH6 HB2 . . . 5 . HB2 . . . . . 14 . HB2 . . rr_2l2w 1
115 1 . . 1 1 6 6 SER HB2 H . . . 1 1 15 15 Mh6 HB3 H . . . . . 2.96 1.86 4.06 . . . . . A . 5 SER HB2 . . A . 14 MH6 HB3 . . . 5 . HB2 . . . . . 14 . HB3 . . rr_2l2w 1
116 1 . . 1 1 6 6 SER HB3 H . . . 1 1 15 15 Mh6 HB2 H . . . . . 3.38 1.95 4.81 . . . . . A . 5 SER HB3 . . A . 14 MH6 HB2 . . . 5 . HB3 . . . . . 14 . HB2 . . rr_2l2w 1
117 1 . . 1 1 6 6 SER HB3 H . . . 1 1 15 15 Mh6 HB3 H . . . . . 2.59 1.75 3.43 . . . . . A . 5 SER HB3 . . A . 14 MH6 HB3 . . . 5 . HB3 . . . . . 14 . HB3 . . rr_2l2w 1
118 1 . . 1 1 1 1 QUA HC3 H . . . 1 1 4 4 DHA H H . . . . . 3.97 1.61 6.33 . . . . . A . . QUA HC3 . . A . 3 DHA H . . . 0 . HC3 . . . . . 3 . H . . rr_2l2w 1
119 1 . . 1 1 1 1 QUA HC3 H . . . 1 1 4 4 DHA HB1 H . . . . . 3.51 1.97 5.05 . . . . . A . . QUA HC3 . . A . 3 DHA HB1 . . . 0 . HC3 . . . . . 3 . HB1 . . rr_2l2w 1
120 1 . . 1 1 1 1 QUA HC3 H . . . 1 1 4 4 DHA HB2 H . . . . . 3.10 1.65 4.55 . . . . . A . . QUA HC3 . . A . 3 DHA HB2 . . . 0 . HC3 . . . . . 3 . HB2 . . rr_2l2w 1
121 1 . . 1 1 1 1 QUA HC3 H . . . 1 1 5 5 ALA HA H . . . . . 3.09 1.42 4.76 . . . . . A . . QUA HC3 . . A . 4 ALA HA . . . 0 . HC3 . . . . . 4 . HA . . rr_2l2w 1
122 1 . . 1 1 1 1 QUA HC3 H . . . 1 1 5 5 ALA MB H . . . . . 3.34 1.39 5.29 . . . . . A . . QUA HC3 . . A . 4 ALA MB . . . 0 . HC3 . . . . . 4 . HB# . . rr_2l2w 1
123 1 . . 1 1 1 1 QUA HC3 H . . . 1 1 6 6 SER H H . . . . . 2.69 1.42 3.96 . . . . . A . . QUA HC3 . . A . 5 SER H . . . 0 . HC3 . . . . . 5 . H . . rr_2l2w 1
124 1 . . 1 1 1 1 QUA HC3 H . . . 1 1 7 7 Bb9 HB H . . . . . 3.23 1.93 4.53 . . . . . A . . QUA HC3 . . A . 6 BB9 HB . . . 0 . HC3 . . . . . 6 . HB . . rr_2l2w 1
125 1 . . 1 1 1 1 QUA HC3 H . . . 1 1 8 8 THR HA H . . . . . 5.01 0.61 6.50 . . . . . A . . QUA HC3 . . A . 7 THR HA . . . 0 . HC3 . . . . . 7 . HA . . rr_2l2w 1
126 1 . . 1 1 1 1 QUA HC3 H . . . 1 1 8 8 THR MG H . . . . . 3.86 2.00 5.72 . . . . . A . . QUA HC3 . . A . 7 THR MG . . . 0 . HC3 . . . . . 7 . HG2# . . rr_2l2w 1
127 1 . . 1 1 1 1 QUA HC5 H . . . 1 1 8 8 THR HA H . . . . . 5.09 0.55 6.50 . . . . . A . . QUA HC5 . . A . 7 THR HA . . . 0 . HC5 . . . . . 7 . HA . . rr_2l2w 1
128 1 . . 1 1 1 1 QUA HC6 H . . . 1 1 3 3 ALA H H . . . . . 5.10 0.55 6.50 . . . . . A . . QUA HC6 . . A . 2 ALA H . . . 0 . HC6 . . . . . 2 . H . . rr_2l2w 1
129 1 . . 1 1 1 1 QUA HC8 H . . . 1 1 3 3 ALA H H . . . . . 3.11 1.90 4.32 . . . . . A . . QUA HC8 . . A . 2 ALA H . . . 0 . HC8 . . . . . 2 . H . . rr_2l2w 1
130 1 . . 1 1 1 1 QUA HC8 H . . . 1 1 3 3 ALA MB H . . . . . 2.88 1.43 4.33 . . . . . A . . QUA HC8 . . A . 2 ALA MB . . . 0 . HC8 . . . . . 2 . HB# . . rr_2l2w 1
131 1 . . 1 1 1 1 QUA H13 H . . . 1 1 7 7 Bb9 HB H . . . . . 4.17 2.00 6.34 . . . . . A . . QUA H13 . . A . 6 BB9 HB . . . 0 . H13 . . . . . 6 . HB . . rr_2l2w 1
132 1 . . 1 1 1 1 QUA H13 H . . . 1 1 8 8 THR HA H . . . . . 4.46 1.98 6.50 . . . . . A . . QUA H13 . . A . 7 THR HA . . . 0 . H13 . . . . . 7 . HA . . rr_2l2w 1
133 1 . . 1 1 1 1 QUA M14 H . . . 1 1 4 4 DHA HB1 H . . . . . 2.59 1.75 3.43 . . . . . A . . QUA M14 . . A . 3 DHA HB1 . . . 0 . H14# . . . . . 3 . HB1 . . rr_2l2w 1
134 1 . . 1 1 1 1 QUA M14 H . . . 1 1 5 5 ALA H H . . . . . 4.57 0.92 6.50 . . . . . A . . QUA M14 . . A . 4 ALA H . . . 0 . H14# . . . . . 4 . H . . rr_2l2w 1
135 1 . . 1 1 3 3 ALA HA H . . . 1 1 13 13 THR MG H . . . . . 2.95 1.86 4.04 . . . . . A . 2 ALA HA . . A . 12 THR MG . . . 2 . HA . . . . . 12 . HG2# . . rr_2l2w 1
136 1 . . 1 1 3 3 ALA MB H . . . 1 1 13 13 THR HB H . . . . . 4.89 0.11 6.50 . . . . . A . 2 ALA MB . . A . 12 THR HB . . . 2 . HB# . . . . . 12 . HB . . rr_2l2w 1
137 1 . . 1 1 3 3 ALA MB H . . . 1 1 13 13 THR MG H . . . . . 3.32 1.94 4.70 . . . . . A . 2 ALA MB . . A . 12 THR MG . . . 2 . HB# . . . . . 12 . HG2# . . rr_2l2w 1
138 1 . . 1 1 4 4 DHA H H . . . 1 1 13 13 THR HB H . . . . . 3.57 1.98 5.16 . . . . . A . 3 DHA H . . A . 12 THR HB . . . 3 . H . . . . . 12 . HB . . rr_2l2w 1
139 1 . . 1 1 4 4 DHA H H . . . 1 1 13 13 THR MG H . . . . . 2.48 1.71 3.25 . . . . . A . 3 DHA H . . A . 12 THR MG . . . 3 . H . . . . . 12 . HG2# . . rr_2l2w 1
140 1 . . 1 1 4 4 DHA HB1 H . . . 1 1 7 7 Bb9 HB H . . . . . 3.32 1.11 5.53 . . . . . A . 3 DHA HB1 . . A . 6 BB9 HB . . . 3 . HB1 . . . . . 6 . HB . . rr_2l2w 1
141 1 . . 1 1 5 5 ALA H H . . . 1 1 13 13 THR HB H . . . . . 4.46 0.97 6.50 . . . . . A . 4 ALA H . . A . 12 THR HB . . . 4 . H . . . . . 12 . HB . . rr_2l2w 1
142 1 . . 1 1 5 5 ALA HA H . . . 1 1 13 13 THR HA H . . . . . 4.32 1.98 6.50 . . . . . A . 4 ALA HA . . A . 12 THR HA . . . 4 . HA . . . . . 12 . HA . . rr_2l2w 1
143 1 . . 1 1 5 5 ALA HA H . . . 1 1 13 13 THR HB H . . . . . 2.27 1.63 2.91 . . . . . A . 4 ALA HA . . A . 12 THR HB . . . 4 . HA . . . . . 12 . HB . . rr_2l2w 1
144 1 . . 1 1 5 5 ALA HA H . . . 1 1 13 13 THR MG H . . . . . 3.41 1.95 4.87 . . . . . A . 4 ALA HA . . A . 12 THR MG . . . 4 . HA . . . . . 12 . HG2# . . rr_2l2w 1
145 1 . . 1 1 5 5 ALA HA H . . . 1 1 15 15 Mh6 HB2 H . . . . . 4.89 0.70 6.50 . . . . . A . 4 ALA HA . . A . 14 MH6 HB2 . . . 4 . HA . . . . . 14 . HB2 . . rr_2l2w 1
146 1 . . 1 1 5 5 ALA MB H . . . 1 1 13 13 THR HA H . . . . . 4.49 0.97 6.50 . . . . . A . 4 ALA MB . . A . 12 THR HA . . . 4 . HB# . . . . . 12 . HA . . rr_2l2w 1
147 1 . . 1 1 5 5 ALA MB H . . . 1 1 13 13 THR HB H . . . . . 4.09 2.00 6.18 . . . . . A . 4 ALA MB . . A . 12 THR HB . . . 4 . HB# . . . . . 12 . HB . . rr_2l2w 1
148 1 . . 1 1 5 5 ALA MB H . . . 1 1 15 15 Mh6 HB2 H . . . . . 3.70 1.98 5.42 . . . . . A . 4 ALA MB . . A . 14 MH6 HB2 . . . 4 . HB# . . . . . 14 . HB2 . . rr_2l2w 1
149 1 . . 1 1 6 6 SER H H . . . 1 1 13 13 THR HA H . . . . . 3.60 1.98 5.22 . . . . . A . 5 SER H . . A . 12 THR HA . . . 5 . H . . . . . 12 . HA . . rr_2l2w 1
150 1 . . 1 1 6 6 SER H H . . . 1 1 13 13 THR HB H . . . . . 2.44 1.69 3.19 . . . . . A . 5 SER H . . A . 12 THR HB . . . 5 . H . . . . . 12 . HB . . rr_2l2w 1
151 1 . . 1 1 6 6 SER H H . . . 1 1 13 13 THR MG H . . . . . 4.25 1.99 6.50 . . . . . A . 5 SER H . . A . 12 THR MG . . . 5 . H . . . . . 12 . HG2# . . rr_2l2w 1
152 1 . . 1 1 8 8 THR H H . . . 1 1 14 14 Bb9 HB H . . . . . 2.58 1.75 3.41 . . . . . A . 7 THR H . . A . 13 BB9 HB . . . 7 . H . . . . . 13 . HB . . rr_2l2w 1
153 1 . . 1 1 8 8 THR HA H . . . 1 1 14 14 Bb9 HB H . . . . . 5.26 0.42 6.50 . . . . . A . 7 THR HA . . A . 13 BB9 HB . . . 7 . HA . . . . . 13 . HB . . rr_2l2w 1
154 1 . . 1 1 8 8 THR HB H . . . 1 1 13 13 THR H H . . . . . 5.09 0.55 6.50 . . . . . A . 7 THR HB . . A . 12 THR H . . . 7 . HB . . . . . 12 . H . . rr_2l2w 1
155 1 . . 1 1 8 8 THR HB H . . . 1 1 14 14 Bb9 HB H . . . . . 6.22 0.00 6.50 . . . . . A . 7 THR HB . . A . 13 BB9 HB . . . 7 . HB . . . . . 13 . HB . . rr_2l2w 1
156 1 . . 1 1 8 8 THR MG H . . . 1 1 10 10 Dcy HA H . . . . . 4.15 2.00 6.30 . . . . . A . 7 THR MG . . A . 9 DCY HA . . . 7 . HG2# . . . . . 9 . HA . . rr_2l2w 1
157 1 . . 1 1 8 8 THR MG H . . . 1 1 11 11 Ts9 H H . . . . . 2.19 1.59 2.79 . . . . . A . 7 THR MG . . A . 10 TS9 H . . . 7 . HG2# . . . . . 10 . H . . rr_2l2w 1
158 1 . . 1 1 8 8 THR MG H . . . 1 1 11 11 Ts9 HA H . . . . . 4.78 0.78 6.50 . . . . . A . 7 THR MG . . A . 10 TS9 HA . . . 7 . HG2# . . . . . 10 . HA . . rr_2l2w 1
159 1 . . 1 1 8 8 THR MG H . . . 1 1 12 12 Bb9 HB H . . . . . 5.30 0.00 6.50 . . . . . A . 7 THR MG . . A . 11 BB9 HB . . . 7 . HG2# . . . . . 11 . HB . . rr_2l2w 1
160 1 . . 1 1 8 8 THR MG H . . . 1 1 13 13 THR H H . . . . . 2.57 1.75 3.39 . . . . . A . 7 THR MG . . A . 12 THR H . . . 7 . HG2# . . . . . 12 . H . . rr_2l2w 1
161 1 . . 1 1 8 8 THR MG H . . . 1 1 13 13 THR HA H . . . . . 3.82 1.64 6.00 . . . . . A . 7 THR MG . . A . 12 THR HA . . . 7 . HG2# . . . . . 12 . HA . . rr_2l2w 1
162 1 . . 1 1 8 8 THR MG H . . . 1 1 14 14 Bb9 HB H . . . . . 3.75 1.99 5.51 . . . . . A . 7 THR MG . . A . 13 BB9 HB . . . 7 . HG2# . . . . . 13 . HB . . rr_2l2w 1
163 1 . . 1 1 9 9 DBU HG* H . . . 1 1 14 14 Bb9 HB H . . . . . 2.93 1.86 4.00 . . . . . A . 8 DBU HG* . . A . 13 BB9 HB . . . 8 . HG# . . . . . 13 . HB . . rr_2l2w 1
164 1 . . 1 1 11 11 Ts9 H H . . . 1 1 13 13 THR H H . . . . . 3.95 1.22 6.50 . . . . . A . 10 TS9 H . . A . 12 THR H . . . 10 . H . . . . . 12 . H . . rr_2l2w 1
165 1 . . 1 1 15 15 Mh6 HB2 H . . . 1 1 17 17 DHA H H . . . . . 4.29 1.53 6.50 . . . . . A . 14 MH6 HB2 . . A . 16 DHA H . . . 14 . HB2 . . . . . 16 . H . . rr_2l2w 1
166 1 . . 1 1 15 15 Mh6 HB3 H . . . 1 1 17 17 DHA H H . . . . . 3.75 2.00 5.50 . . . . . A . 14 MH6 HB3 . . A . 16 DHA H . . . 14 . HB3 . . . . . 16 . H . . rr_2l2w 1
stop_
loop_
_Gen_dist_constraint_parse_err.ID
_Gen_dist_constraint_parse_err.Content
_Gen_dist_constraint_parse_err.Begin_line
_Gen_dist_constraint_parse_err.Begin_column
_Gen_dist_constraint_parse_err.End_line
_Gen_dist_constraint_parse_err.End_column
_Gen_dist_constraint_parse_err.Entry_ID
_Gen_dist_constraint_parse_err.Gen_dist_constraint_list_ID
1 "# Intraresidue NOEs" 1 1 1 19 rr_2l2w 1
2 "# Sequential NOEs" 69 1 69 17 rr_2l2w 1
3 "# Medium and long range NOEs" 148 1 148 28 rr_2l2w 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 37 1 "Not handling restraint 37, item 1, resonance(s) ' .8.H1' (nmrStar names),' .8.HB1' (nmrStar names) not linked" rr_2l2w 1
2 2 38 1 "Not handling restraint 38, item 1, resonance(s) ' .8.H1' (nmrStar names) not linked" rr_2l2w 1
3 2 39 1 "Not handling restraint 39, item 1, resonance(s) ' .8.HB1' (nmrStar names) not linked" rr_2l2w 1
4 2 45 1 "Not handling restraint 45, item 1, resonance(s) ' .10.HG2#' (nmrStar names) not linked" rr_2l2w 1
5 2 47 1 "Not handling restraint 47, item 1, resonance(s) ' .10.HG2#' (nmrStar names) not linked" rr_2l2w 1
6 2 48 1 "Not handling restraint 48, item 1, resonance(s) ' .10.HD1#' (nmrStar names) not linked" rr_2l2w 1
7 2 49 1 "Not handling restraint 49, item 1, resonance(s) ' .10.HG2#' (nmrStar names),' .10.HD1#' (nmrStar names) not linked" rr_2l2w 1
8 2 56 1 "Not handling restraint 56, item 1, resonance(s) ' .13.HC' (nmrStar names) not linked" rr_2l2w 1
9 2 95 1 "Not handling restraint 95, item 1, resonance(s) ' .8.H1' (nmrStar names) not linked" rr_2l2w 1
10 2 97 1 "Not handling restraint 97, item 1, resonance(s) ' .8.H1' (nmrStar names) not linked" rr_2l2w 1
11 2 98 1 "Not handling restraint 98, item 1, resonance(s) ' .8.HB1' (nmrStar names) not linked" rr_2l2w 1
12 2 100 1 "Not handling restraint 100, item 1, resonance(s) ' .8.H1' (nmrStar names) not linked" rr_2l2w 1
13 2 101 1 "Not handling restraint 101, item 1, resonance(s) ' .8.H1' (nmrStar names) not linked" rr_2l2w 1
14 2 102 1 "Not handling restraint 102, item 1, resonance(s) ' .8.H1' (nmrStar names) not linked" rr_2l2w 1
15 2 103 1 "Not handling restraint 103, item 1, resonance(s) ' .8.HB1' (nmrStar names) not linked" rr_2l2w 1
16 2 104 1 "Not handling restraint 104, item 1, resonance(s) ' .8.HB1' (nmrStar names) not linked" rr_2l2w 1
17 2 111 1 "Not handling restraint 111, item 1, resonance(s) ' .10.HG2#' (nmrStar names) not linked" rr_2l2w 1
18 2 116 1 "Not handling restraint 116, item 1, resonance(s) ' .13.HC' (nmrStar names) not linked" rr_2l2w 1
19 2 117 1 "Not handling restraint 117, item 1, resonance(s) ' .13.HC' (nmrStar names) not linked" rr_2l2w 1
20 2 129 1 "Not handling restraint 129, item 1, resonance(s) ' .13.HC' (nmrStar names) not linked" rr_2l2w 1
21 2 131 1 "Not handling restraint 131, item 1, resonance(s) ' .13.HC' (nmrStar names) not linked" rr_2l2w 1
22 2 133 1 "Not handling restraint 133, item 1, resonance(s) ' .13.HC' (nmrStar names) not linked" rr_2l2w 1
23 2 151 1 "Not handling restraint 151, item 1, resonance(s) ' .10.HD1#' (nmrStar names) not linked" rr_2l2w 1
24 2 158 1 "Not handling restraint 158, item 1, resonance(s) ' .10.HD1#' (nmrStar names) not linked" rr_2l2w 1
25 2 177 1 "Not handling restraint 177, item 1, resonance(s) ' .13.HC' (nmrStar names) not linked" rr_2l2w 1
26 2 188 1 "Not handling restraint 188, item 1, resonance(s) ' .8.H1' (nmrStar names) not linked" rr_2l2w 1
27 2 191 1 "Not handling restraint 191, item 1, resonance(s) ' .10.HG2#' (nmrStar names) not linked" rr_2l2w 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_3
_Gen_dist_constraint_list.Entry_ID rr_2l2w
_Gen_dist_constraint_list.ID 2
_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 3
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_2l2w 2
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 OR . 1 1 1 1 QUA HC3 H . . . 1 1 1 1 QUA HC6 H . . . . . 4.45 1.47 6.50 . . . . . A . . QUA HC3 . . A . . QUA HC6 . . . 0 . HC3 . . . . . 0 . HC6 . . rr_2l2w 2
1 2 OR . 1 1 1 1 QUA HC3 H . . . 1 1 13 13 THR HB H . . . . . 4.45 1.47 6.50 . . . . . A . . QUA HC3 . . A . 12 THR HB . . . 0 . HC3 . . . . . 12 . HB . . rr_2l2w 2
2 1 OR . 1 1 1 1 QUA HC6 H . . . 1 1 3 3 ALA HA H . . . . . 5.61 0.10 6.50 . . . . . A . . QUA HC6 . . A . 2 ALA HA . . . 0 . HC6 . . . . . 2 . HA . . rr_2l2w 2
2 2 OR . 1 1 1 1 QUA HC6 H . . . 1 1 11 11 Ts9 HG1 H . . . . . 5.61 0.10 6.50 . . . . . A . . QUA HC6 . . A . 10 TS9 HG1 . . . 0 . HC6 . . . . . 10 . HG1 . . rr_2l2w 2
2 3 OR . 1 1 3 3 ALA HA H . . . 1 1 13 13 THR HB H . . . . . 5.61 0.10 6.50 . . . . . A . 2 ALA HA . . A . 12 THR HB . . . 2 . HA . . . . . 12 . HB . . rr_2l2w 2
3 1 OR . 1 1 1 1 QUA HC8 H . . . 1 1 2 2 ILE MD H . . . . . 3.72 1.99 5.45 . . . . . A . . QUA HC8 . . A . 1 ILE MD . . . 0 . HC8 . . . . . 1 . HD1# . . rr_2l2w 2
3 2 OR . 1 1 1 1 QUA HC8 H . . . 1 1 2 2 ILE MG H . . . . . 3.72 1.99 5.45 . . . . . A . . QUA HC8 . . A . 1 ILE MG . . . 0 . HC8 . . . . . 1 . HG2# . . rr_2l2w 2
3 3 OR . 1 1 1 1 QUA HC8 H . . . 1 1 8 8 THR MG H . . . . . 3.72 1.99 5.45 . . . . . A . . QUA HC8 . . A . 7 THR MG . . . 0 . HC8 . . . . . 7 . HG2# . . rr_2l2w 2
4 1 OR . 1 1 1 1 QUA HC8 H . . . 1 1 11 11 Ts9 HG1 H . . . . . 3.87 2.00 5.74 . . . . . A . . QUA HC8 . . A . 10 TS9 HG1 . . . 0 . HC8 . . . . . 10 . HG1 . . rr_2l2w 2
4 2 OR . 1 1 1 1 QUA HC8 H . . . 1 1 3 3 ALA HA H . . . . . 3.87 2.00 5.74 . . . . . A . . QUA HC8 . . A . 2 ALA HA . . . 0 . HC8 . . . . . 2 . HA . . rr_2l2w 2
5 1 OR . 1 1 1 1 QUA HC5 H . . . 1 1 2 2 ILE MG H . . . . . 4.11 1.57 6.50 . . . . . A . . QUA HC5 . . A . 1 ILE MG . . . 0 . HC5 . . . . . 1 . HG2# . . rr_2l2w 2
5 2 OR . 1 1 1 1 QUA HC5 H . . . 1 1 8 8 THR MG H . . . . . 4.11 1.57 6.50 . . . . . A . . QUA HC5 . . A . 7 THR MG . . . 0 . HC5 . . . . . 7 . HG2# . . rr_2l2w 2
6 1 OR . 1 1 1 1 QUA HC8 H . . . 1 1 2 2 ILE MG H . . . . . 3.38 1.95 4.81 . . . . . A . . QUA HC8 . . A . 1 ILE MG . . . 0 . HC8 . . . . . 1 . HG2# . . rr_2l2w 2
6 2 OR . 1 1 1 1 QUA HC8 H . . . 1 1 8 8 THR MG H . . . . . 3.38 1.95 4.81 . . . . . A . . QUA HC8 . . A . 7 THR MG . . . 0 . HC8 . . . . . 7 . HG2# . . rr_2l2w 2
7 1 OR . 1 1 3 3 ALA H H . . . 1 1 8 8 THR MG H . . . . . 2.41 1.69 3.13 . . . . . A . 2 ALA H . . A . 7 THR MG . . . 2 . H . . . . . 7 . HG2# . . rr_2l2w 2
7 2 OR . 1 1 2 2 ILE MD H . . . 1 1 3 3 ALA H H . . . . . 2.41 1.69 3.13 . . . . . A . 1 ILE MD . . A . 2 ALA H . . . 1 . HD1# . . . . . 2 . H . . rr_2l2w 2
7 3 OR . 1 1 2 2 ILE MG H . . . 1 1 3 3 ALA H H . . . . . 2.41 1.69 3.13 . . . . . A . 1 ILE MG . . A . 2 ALA H . . . 1 . HG2# . . . . . 2 . H . . rr_2l2w 2
8 1 OR . 1 1 1 1 QUA HC6 H . . . 1 1 3 3 ALA MB H . . . . . 4.53 0.94 6.50 . . . . . A . . QUA HC6 . . A . 2 ALA MB . . . 0 . HC6 . . . . . 2 . HB# . . rr_2l2w 2
8 2 OR . 1 1 3 3 ALA MB H . . . 1 1 13 13 THR HB H . . . . . 4.53 0.94 6.50 . . . . . A . 2 ALA MB . . A . 12 THR HB . . . 2 . HB# . . . . . 12 . HB . . rr_2l2w 2
9 1 OR . 1 1 4 4 DHA HB1 H . . . 1 1 5 5 ALA HA H . . . . . 4.49 1.97 6.50 . . . . . A . 3 DHA HB1 . . A . 4 ALA HA . . . 3 . HB1 . . . . . 4 . HA . . rr_2l2w 2
9 2 OR . 1 1 5 5 ALA HA H . . . 1 1 13 13 THR HA H . . . . . 4.49 1.97 6.50 . . . . . A . 4 ALA HA . . A . 12 THR HA . . . 4 . HA . . . . . 12 . HA . . rr_2l2w 2
10 1 OR . 1 1 1 1 QUA M14 H . . . 1 1 4 4 DHA HB2 H . . . . . 2.33 1.52 3.14 . . . . . A . . QUA M14 . . A . 3 DHA HB2 . . . 0 . H14# . . . . . 3 . HB2 . . rr_2l2w 2
10 2 OR . 1 1 1 1 QUA H13 H . . . 1 1 1 1 QUA M14 H . . . . . 2.33 1.52 3.14 . . . . . A . . QUA H13 . . A . . QUA M14 . . . 0 . H13 . . . . . 0 . H14# . . rr_2l2w 2
11 1 OR . 1 1 1 1 QUA HC3 H . . . 1 1 4 4 DHA HB2 H . . . . . 2.98 1.87 4.09 . . . . . A . . QUA HC3 . . A . 3 DHA HB2 . . . 0 . HC3 . . . . . 3 . HB2 . . rr_2l2w 2
11 2 OR . 1 1 1 1 QUA HC3 H . . . 1 1 1 1 QUA H13 H . . . . . 2.98 1.87 4.09 . . . . . A . . QUA HC3 . . A . . QUA H13 . . . 0 . HC3 . . . . . 0 . H13 . . rr_2l2w 2
12 1 OR . 1 1 5 5 ALA MB H . . . 1 1 13 13 THR HA H . . . . . 4.16 1.99 6.33 . . . . . A . 4 ALA MB . . A . 12 THR HA . . . 4 . HB# . . . . . 12 . HA . . rr_2l2w 2
12 2 OR . 1 1 4 4 DHA HB1 H . . . 1 1 5 5 ALA MB H . . . . . 4.16 1.99 6.33 . . . . . A . 3 DHA HB1 . . A . 4 ALA MB . . . 3 . HB1 . . . . . 4 . HB# . . rr_2l2w 2
13 1 OR . 1 1 4 4 DHA HB2 H . . . 1 1 7 7 Bb9 HB H . . . . . 5.25 0.00 6.50 . . . . . A . 3 DHA HB2 . . A . 6 BB9 HB . . . 3 . HB2 . . . . . 6 . HB . . rr_2l2w 2
13 2 OR . 1 1 1 1 QUA H13 H . . . 1 1 7 7 Bb9 HB H . . . . . 5.25 0.00 6.50 . . . . . A . . QUA H13 . . A . 6 BB9 HB . . . 0 . H13 . . . . . 6 . HB . . rr_2l2w 2
14 1 OR . 1 1 1 1 QUA HC3 H . . . 1 1 8 8 THR HB H . . . . . 2.83 1.83 3.83 . . . . . A . . QUA HC3 . . A . 7 THR HB . . . 0 . HC3 . . . . . 7 . HB . . rr_2l2w 2
14 2 OR . 1 1 1 1 QUA HC3 H . . . 1 1 1 1 QUA M14 H . . . . . 2.83 1.83 3.83 . . . . . A . . QUA HC3 . . A . . QUA M14 . . . 0 . HC3 . . . . . 0 . H14# . . rr_2l2w 2
15 1 OR . 1 1 5 5 ALA HA H . . . 1 1 8 8 THR HB H . . . . . 4.59 1.44 6.50 . . . . . A . 4 ALA HA . . A . 7 THR HB . . . 4 . HA . . . . . 7 . HB . . rr_2l2w 2
15 2 OR . 1 1 1 1 QUA M14 H . . . 1 1 5 5 ALA HA H . . . . . 4.59 1.44 6.50 . . . . . A . . QUA M14 . . A . 4 ALA HA . . . 0 . H14# . . . . . 4 . HA . . rr_2l2w 2
16 1 OR . 1 1 8 8 THR HB H . . . 1 1 7 7 Bb9 HB H . . . . . 4.21 1.99 6.43 . . . . . A . 7 THR HB . . A . 6 BB9 HB . . . 7 . HB . . . . . 6 . HB . . rr_2l2w 2
16 2 OR . 1 1 1 1 QUA M14 H . . . 1 1 7 7 Bb9 HB H . . . . . 4.21 1.99 6.43 . . . . . A . . QUA M14 . . A . 6 BB9 HB . . . 0 . H14# . . . . . 6 . HB . . rr_2l2w 2
17 1 OR . 1 1 1 1 QUA HC71 H . . . 1 1 8 8 THR MG H . . . . . 3.24 1.41 5.07 . . . . . A . . QUA HC71 . . A . 7 THR MG . . . 0 . HC71 . . . . . 7 . HG2# . . rr_2l2w 2
17 2 OR . 1 1 1 1 QUA HC71 H . . . 1 1 2 2 ILE MG H . . . . . 3.24 1.41 5.07 . . . . . A . . QUA HC71 . . A . 1 ILE MG . . . 0 . HC71 . . . . . 1 . HG2# . . rr_2l2w 2
18 1 OR . 1 1 3 3 ALA H H . . . 1 1 8 8 THR MG H . . . . . 2.52 1.56 3.48 . . . . . A . 2 ALA H . . A . 7 THR MG . . . 2 . H . . . . . 7 . HG2# . . rr_2l2w 2
18 2 OR . 1 1 2 2 ILE MG H . . . 1 1 3 3 ALA H H . . . . . 2.52 1.56 3.48 . . . . . A . 1 ILE MG . . A . 2 ALA H . . . 1 . HG2# . . . . . 2 . H . . rr_2l2w 2
19 1 OR . 1 1 3 3 ALA HA H . . . 1 1 8 8 THR MG H . . . . . 3.56 1.98 5.14 . . . . . A . 2 ALA HA . . A . 7 THR MG . . . 2 . HA . . . . . 7 . HG2# . . rr_2l2w 2
19 2 OR . 1 1 8 8 THR MG H . . . 1 1 11 11 Ts9 HG1 H . . . . . 3.56 1.98 5.14 . . . . . A . 7 THR MG . . A . 10 TS9 HG1 . . . 7 . HG2# . . . . . 10 . HG1 . . rr_2l2w 2
20 1 OR . 1 1 1 1 QUA HC6 H . . . 1 1 8 8 THR MG H . . . . . 3.53 1.97 5.09 . . . . . A . . QUA HC6 . . A . 7 THR MG . . . 0 . HC6 . . . . . 7 . HG2# . . rr_2l2w 2
20 2 OR . 1 1 8 8 THR MG H . . . 1 1 13 13 THR HB H . . . . . 3.53 1.97 5.09 . . . . . A . 7 THR MG . . A . 12 THR HB . . . 7 . HG2# . . . . . 12 . HB . . rr_2l2w 2
20 3 OR . 1 1 1 1 QUA HC6 H . . . 1 1 2 2 ILE MG H . . . . . 3.53 1.97 5.09 . . . . . A . . QUA HC6 . . A . 1 ILE MG . . . 0 . HC6 . . . . . 1 . HG2# . . rr_2l2w 2
21 1 OR . 1 1 1 1 QUA HC6 H . . . 1 1 11 11 Ts9 HG1 H . . . . . 5.53 0.18 6.50 . . . . . A . . QUA HC6 . . A . 10 TS9 HG1 . . . 0 . HC6 . . . . . 10 . HG1 . . rr_2l2w 2
21 2 OR . 1 1 3 3 ALA HA H . . . 1 1 13 13 THR HB H . . . . . 5.53 0.18 6.50 . . . . . A . 2 ALA HA . . A . 12 THR HB . . . 2 . HA . . . . . 12 . HB . . rr_2l2w 2
22 1 OR . 1 1 2 2 ILE HA H . . . 1 1 11 11 Ts9 HG1 H . . . . . 4.17 1.99 6.35 . . . . . A . 1 ILE HA . . A . 10 TS9 HG1 . . . 1 . HA . . . . . 10 . HG1 . . rr_2l2w 2
22 2 OR . 1 1 2 2 ILE HA H . . . 1 1 3 3 ALA HA H . . . . . 4.17 1.99 6.35 . . . . . A . 1 ILE HA . . A . 2 ALA HA . . . 1 . HA . . . . . 2 . HA . . rr_2l2w 2
23 1 OR . 1 1 4 4 DHA H H . . . 1 1 13 13 THR HA H . . . . . 3.49 1.97 5.01 . . . . . A . 3 DHA H . . A . 12 THR HA . . . 3 . H . . . . . 12 . HA . . rr_2l2w 2
23 2 OR . 1 1 4 4 DHA H H . . . 1 1 4 4 DHA HB1 H . . . . . 3.49 1.97 5.01 . . . . . A . 3 DHA H . . A . 3 DHA HB1 . . . 3 . H . . . . . 3 . HB1 . . rr_2l2w 2
24 1 OR . 1 1 8 8 THR MG H . . . 1 1 13 13 THR HB H . . . . . 3.52 1.97 5.07 . . . . . A . 7 THR MG . . A . 12 THR HB . . . 7 . HG2# . . . . . 12 . HB . . rr_2l2w 2
24 2 OR . 1 1 1 1 QUA HC6 H . . . 1 1 2 2 ILE MG H . . . . . 3.52 1.97 5.07 . . . . . A . . QUA HC6 . . A . 1 ILE MG . . . 0 . HC6 . . . . . 1 . HG2# . . rr_2l2w 2
25 1 OR . 1 1 1 1 QUA HC6 H . . . 1 1 2 2 ILE MD H . . . . . 3.84 1.26 6.42 . . . . . A . . QUA HC6 . . A . 1 ILE MD . . . 0 . HC6 . . . . . 1 . HD1# . . rr_2l2w 2
25 2 OR . 1 1 1 1 QUA HC6 H . . . 1 1 8 8 THR MG H . . . . . 3.84 1.26 6.42 . . . . . A . . QUA HC6 . . A . 7 THR MG . . . 0 . HC6 . . . . . 7 . HG2# . . rr_2l2w 2
25 3 OR . 1 1 8 8 THR MG H . . . 1 1 13 13 THR HB H . . . . . 3.84 1.26 6.42 . . . . . A . 7 THR MG . . A . 12 THR HB . . . 7 . HG2# . . . . . 12 . HB . . rr_2l2w 2
25 4 OR . 1 1 1 1 QUA HC6 H . . . 1 1 2 2 ILE MG H . . . . . 3.84 1.26 6.42 . . . . . A . . QUA HC6 . . A . 1 ILE MG . . . 0 . HC6 . . . . . 1 . HG2# . . rr_2l2w 2
stop_
loop_
_Gen_dist_constraint_parse_err.ID
_Gen_dist_constraint_parse_err.Content
_Gen_dist_constraint_parse_err.Begin_line
_Gen_dist_constraint_parse_err.Begin_column
_Gen_dist_constraint_parse_err.End_line
_Gen_dist_constraint_parse_err.End_column
_Gen_dist_constraint_parse_err.Entry_ID
_Gen_dist_constraint_parse_err.Gen_dist_constraint_list_ID
1 "# Ambiguous NOEs" 1 1 1 16 rr_2l2w 2
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 3 5 1 "Not handling restraint 5, item 2, resonance(s) ' .10.HG2#' (nmrStar names) not linked" rr_2l2w 2
2 3 6 1 "Not handling restraint 6, item 2, resonance(s) ' .10.HG2#' (nmrStar names) not linked" rr_2l2w 2
3 3 17 1 "Not handling restraint 17, item 2, resonance(s) ' .10.HD1#' (nmrStar names) not linked" rr_2l2w 2
4 3 18 1 "Not handling restraint 18, item 2, resonance(s) ' .10.HD1#' (nmrStar names) not linked" rr_2l2w 2
5 3 19 1 "Not handling restraint 19, item 2, resonance(s) ' .10.HD1#' (nmrStar names) not linked" rr_2l2w 2
6 3 22 1 "Not handling restraint 22, item 2, resonance(s) ' .10.HD1#' (nmrStar names) not linked" rr_2l2w 2
7 3 27 1 "Not handling restraint 27, item 2, resonance(s) ' .10.HD1#' (nmrStar names) not linked" rr_2l2w 2
8 3 28 1 "Not handling restraint 28, item 3, resonance(s) ' .10.HD1#' (nmrStar names) not linked" rr_2l2w 2
9 3 29 1 "Not handling restraint 29, item 3, resonance(s) ' .10.HD1#' (nmrStar names) not linked" rr_2l2w 2
10 3 30 1 "Not handling restraint 30, item 3, resonance(s) ' .10.HD1#' (nmrStar names) not linked" rr_2l2w 2
11 3 31 1 "Not handling restraint 31, item 3, resonance(s) ' .10.HD1#' (nmrStar names) not linked" rr_2l2w 2
12 3 34 1 "Not handling restraint 34, item 3, resonance(s) ' .10.HG2#' (nmrStar names) not linked" rr_2l2w 2
13 3 35 1 "Not handling restraint 35, item 3, resonance(s) ' .10.HG2#' (nmrStar names) not linked" rr_2l2w 2
stop_
save_
save_CNS/XPLOR_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_2_1
_Distance_constraint_list.Entry_ID rr_2l2w
_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_2l2w 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_2l2w 1
2 1 . . . rr_2l2w 1
3 1 . . . rr_2l2w 1
4 1 . . . rr_2l2w 1
5 1 . . . rr_2l2w 1
6 1 . . . rr_2l2w 1
7 1 . . . rr_2l2w 1
8 1 . . . rr_2l2w 1
9 1 . . . rr_2l2w 1
10 1 . . . rr_2l2w 1
11 1 . . . rr_2l2w 1
12 1 . . . rr_2l2w 1
13 1 . . . rr_2l2w 1
14 1 . . . rr_2l2w 1
15 1 . . . rr_2l2w 1
16 1 . . . rr_2l2w 1
17 1 . . . rr_2l2w 1
18 1 . . . rr_2l2w 1
19 1 . . . rr_2l2w 1
20 1 . . . rr_2l2w 1
21 1 . . . rr_2l2w 1
22 1 . . . rr_2l2w 1
23 1 . . . rr_2l2w 1
24 1 . . . rr_2l2w 1
25 1 . . . rr_2l2w 1
26 1 . . . rr_2l2w 1
27 1 . . . rr_2l2w 1
28 1 . . . rr_2l2w 1
29 1 . . . rr_2l2w 1
30 1 . . . rr_2l2w 1
31 1 . . . rr_2l2w 1
32 1 . . . rr_2l2w 1
33 1 . . . rr_2l2w 1
34 1 . . . rr_2l2w 1
35 1 . . . rr_2l2w 1
36 1 . . . rr_2l2w 1
37 1 . . . rr_2l2w 1
38 1 . . . rr_2l2w 1
39 1 . . . rr_2l2w 1
40 1 . . . rr_2l2w 1
41 1 . . . rr_2l2w 1
42 1 . . . rr_2l2w 1
43 1 . . . rr_2l2w 1
44 1 . . . rr_2l2w 1
45 1 . . . rr_2l2w 1
46 1 . . . rr_2l2w 1
47 1 . . . rr_2l2w 1
48 1 . . . rr_2l2w 1
49 1 . . . rr_2l2w 1
50 1 . . . rr_2l2w 1
51 1 . . . rr_2l2w 1
52 1 . . . rr_2l2w 1
53 1 . . . rr_2l2w 1
54 1 . . . rr_2l2w 1
55 1 . . . rr_2l2w 1
56 1 . . . rr_2l2w 1
57 1 . . . rr_2l2w 1
58 1 . . . rr_2l2w 1
59 1 . . . rr_2l2w 1
60 1 . . . rr_2l2w 1
61 1 . . . rr_2l2w 1
62 1 . . . rr_2l2w 1
63 1 . . . rr_2l2w 1
64 1 . . . rr_2l2w 1
65 1 . . . rr_2l2w 1
66 1 . . . rr_2l2w 1
67 1 . . . rr_2l2w 1
68 1 . . . rr_2l2w 1
69 1 . . . rr_2l2w 1
70 1 . . . rr_2l2w 1
71 1 . . . rr_2l2w 1
72 1 . . . rr_2l2w 1
73 1 . . . rr_2l2w 1
74 1 . . . rr_2l2w 1
75 1 . . . rr_2l2w 1
76 1 . . . rr_2l2w 1
77 1 . . . rr_2l2w 1
78 1 . . . rr_2l2w 1
79 1 . . . rr_2l2w 1
80 1 . . . rr_2l2w 1
81 1 . . . rr_2l2w 1
82 1 . . . rr_2l2w 1
83 1 . . . rr_2l2w 1
84 1 . . . rr_2l2w 1
85 1 . . . rr_2l2w 1
86 1 . . . rr_2l2w 1
87 1 . . . rr_2l2w 1
88 1 . . . rr_2l2w 1
89 1 . . . rr_2l2w 1
90 1 . . . rr_2l2w 1
91 1 . . . rr_2l2w 1
92 1 . . . rr_2l2w 1
93 1 . . . rr_2l2w 1
94 1 . . . rr_2l2w 1
95 1 . . . rr_2l2w 1
96 1 . . . rr_2l2w 1
97 1 . . . rr_2l2w 1
98 1 . . . rr_2l2w 1
99 1 . . . rr_2l2w 1
100 1 . . . rr_2l2w 1
101 1 . . . rr_2l2w 1
102 1 . . . rr_2l2w 1
103 1 . . . rr_2l2w 1
104 1 . . . rr_2l2w 1
105 1 . . . rr_2l2w 1
106 1 . . . rr_2l2w 1
107 1 . . . rr_2l2w 1
108 1 . . . rr_2l2w 1
109 1 . . . rr_2l2w 1
110 1 . . . rr_2l2w 1
111 1 . . . rr_2l2w 1
112 1 . . . rr_2l2w 1
113 1 . . . rr_2l2w 1
114 1 . . . rr_2l2w 1
115 1 . . . rr_2l2w 1
116 1 . . . rr_2l2w 1
117 1 . . . rr_2l2w 1
118 1 . . . rr_2l2w 1
119 1 . . . rr_2l2w 1
120 1 . . . rr_2l2w 1
121 1 . . . rr_2l2w 1
122 1 . . . rr_2l2w 1
123 1 . . . rr_2l2w 1
124 1 . . . rr_2l2w 1
125 1 . . . rr_2l2w 1
126 1 . . . rr_2l2w 1
127 1 . . . rr_2l2w 1
128 1 . . . rr_2l2w 1
129 1 . . . rr_2l2w 1
130 1 . . . rr_2l2w 1
131 1 . . . rr_2l2w 1
132 1 . . . rr_2l2w 1
133 1 . . . rr_2l2w 1
134 1 . . . rr_2l2w 1
135 1 . . . rr_2l2w 1
136 1 . . . rr_2l2w 1
137 1 . . . rr_2l2w 1
138 1 . . . rr_2l2w 1
139 1 . . . rr_2l2w 1
140 1 . . . rr_2l2w 1
141 1 . . . rr_2l2w 1
142 1 . . . rr_2l2w 1
143 1 . . . rr_2l2w 1
144 1 . . . rr_2l2w 1
145 1 . . . rr_2l2w 1
146 1 . . . rr_2l2w 1
147 1 . . . rr_2l2w 1
148 1 . . . rr_2l2w 1
149 1 . . . rr_2l2w 1
150 1 . . . rr_2l2w 1
151 1 . . . rr_2l2w 1
152 1 . . . rr_2l2w 1
153 1 . . . rr_2l2w 1
154 1 . . . rr_2l2w 1
155 1 . . . rr_2l2w 1
156 1 . . . rr_2l2w 1
157 1 . . . rr_2l2w 1
158 1 . . . rr_2l2w 1
159 1 . . . rr_2l2w 1
160 1 . . . rr_2l2w 1
161 1 . . . rr_2l2w 1
162 1 . . . rr_2l2w 1
163 1 . . . rr_2l2w 1
164 1 . . . rr_2l2w 1
165 1 . . . rr_2l2w 1
166 1 . . . rr_2l2w 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Contribution_fractional_val
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Atom_type
_Dist_constraint.Atom_isotope_number
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_entity_assembly_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 . 1 . 1 1 1 1 QUA HC3 H . . . . 0 . HC3 rr_2l2w 1
1 1 . 2 . 1 1 1 1 QUA HC5 H . . . . 0 . HC5 rr_2l2w 1
2 1 . 1 . 1 1 1 1 QUA HC3 H . . . . 0 . HC3 rr_2l2w 1
2 1 . 2 . 1 1 1 1 QUA HC8 H . . . . 0 . HC8 rr_2l2w 1
3 1 . 1 . 1 1 1 1 QUA HC5 H . . . . 0 . HC5 rr_2l2w 1
3 1 . 2 . 1 1 1 1 QUA HC6 H . . . . 0 . HC6 rr_2l2w 1
4 1 . 1 . 1 1 1 1 QUA HC5 H . . . . 0 . HC5 rr_2l2w 1
4 1 . 2 . 1 1 1 1 QUA HC71 H . . . . 0 . HC71 rr_2l2w 1
5 1 . 1 . 1 1 1 1 QUA HC5 H . . . . 0 . HC5 rr_2l2w 1
5 1 . 2 . 1 1 1 1 QUA HC8 H . . . . 0 . HC8 rr_2l2w 1
6 1 . 1 . 1 1 1 1 QUA HC5 H . . . . 0 . HC5 rr_2l2w 1
6 1 . 2 . 1 1 1 1 QUA H13 H . . . . 0 . H13 rr_2l2w 1
7 1 . 1 . 1 1 1 1 QUA HC5 H . . . . 0 . HC5 rr_2l2w 1
7 1 . 2 . 1 1 1 1 QUA M14 H . . . . 0 . H14# rr_2l2w 1
8 1 . 1 . 1 1 1 1 QUA HC6 H . . . . 0 . HC6 rr_2l2w 1
8 1 . 2 . 1 1 1 1 QUA HC71 H . . . . 0 . HC71 rr_2l2w 1
9 1 . 1 . 1 1 1 1 QUA HC6 H . . . . 0 . HC6 rr_2l2w 1
9 1 . 2 . 1 1 1 1 QUA HC8 H . . . . 0 . HC8 rr_2l2w 1
10 1 . 1 . 1 1 1 1 QUA HC6 H . . . . 0 . HC6 rr_2l2w 1
10 1 . 2 . 1 1 1 1 QUA H13 H . . . . 0 . H13 rr_2l2w 1
11 1 . 1 . 1 1 1 1 QUA HC6 H . . . . 0 . HC6 rr_2l2w 1
11 1 . 2 . 1 1 1 1 QUA M14 H . . . . 0 . H14# rr_2l2w 1
12 1 . 1 . 1 1 1 1 QUA HC71 H . . . . 0 . HC71 rr_2l2w 1
12 1 . 2 . 1 1 1 1 QUA HC8 H . . . . 0 . HC8 rr_2l2w 1
13 1 . 1 . 1 1 1 1 QUA H13 H . . . . 0 . H13 rr_2l2w 1
13 1 . 2 . 1 1 1 1 QUA M14 H . . . . 0 . H14# rr_2l2w 1
14 1 . 1 . 1 1 2 2 ILE HA H . . . . 1 . HA rr_2l2w 1
14 1 . 2 . 1 1 2 2 ILE HB H . . . . 1 . HB rr_2l2w 1
15 1 . 1 . 1 1 2 2 ILE HA H . . . . 1 . HA rr_2l2w 1
15 1 . 2 . 1 1 2 2 ILE MG H . . . . 1 . HG2# rr_2l2w 1
16 1 . 1 . 1 1 2 2 ILE HB H . . . . 1 . HB rr_2l2w 1
16 1 . 2 . 1 1 2 2 ILE HG13 H . . . . 1 . HG13 rr_2l2w 1
17 1 . 1 . 1 1 2 2 ILE HB H . . . . 1 . HB rr_2l2w 1
17 1 . 2 . 1 1 2 2 ILE MG H . . . . 1 . HG2# rr_2l2w 1
18 1 . 1 . 1 1 2 2 ILE HG12 H . . . . 1 . HG12 rr_2l2w 1
18 1 . 2 . 1 1 2 2 ILE MD H . . . . 1 . HD1# rr_2l2w 1
19 1 . 1 . 1 1 2 2 ILE HG13 H . . . . 1 . HG13 rr_2l2w 1
19 1 . 2 . 1 1 2 2 ILE MD H . . . . 1 . HD1# rr_2l2w 1
20 1 . 1 . 1 1 3 3 ALA H H . . . . 2 . H rr_2l2w 1
20 1 . 2 . 1 1 3 3 ALA HA H . . . . 2 . HA rr_2l2w 1
21 1 . 1 . 1 1 3 3 ALA H H . . . . 2 . H rr_2l2w 1
21 1 . 2 . 1 1 3 3 ALA MB H . . . . 2 . HB# rr_2l2w 1
22 1 . 1 . 1 1 3 3 ALA HA H . . . . 2 . HA rr_2l2w 1
22 1 . 2 . 1 1 3 3 ALA MB H . . . . 2 . HB# rr_2l2w 1
23 1 . 1 . 1 1 4 4 DHA H H . . . . 3 . H rr_2l2w 1
23 1 . 2 . 1 1 4 4 DHA HB2 H . . . . 3 . HB2 rr_2l2w 1
24 1 . 1 . 1 1 4 4 DHA HB1 H . . . . 3 . HB1 rr_2l2w 1
24 1 . 2 . 1 1 4 4 DHA HB2 H . . . . 3 . HB2 rr_2l2w 1
25 1 . 1 . 1 1 5 5 ALA H H . . . . 4 . H rr_2l2w 1
25 1 . 2 . 1 1 5 5 ALA HA H . . . . 4 . HA rr_2l2w 1
26 1 . 1 . 1 1 5 5 ALA H H . . . . 4 . H rr_2l2w 1
26 1 . 2 . 1 1 5 5 ALA MB H . . . . 4 . HB# rr_2l2w 1
27 1 . 1 . 1 1 5 5 ALA HA H . . . . 4 . HA rr_2l2w 1
27 1 . 2 . 1 1 5 5 ALA MB H . . . . 4 . HB# rr_2l2w 1
28 1 . 1 . 1 1 6 6 SER H H . . . . 5 . H rr_2l2w 1
28 1 . 2 . 1 1 6 6 SER HB2 H . . . . 5 . HB2 rr_2l2w 1
29 1 . 1 . 1 1 6 6 SER H H . . . . 5 . H rr_2l2w 1
29 1 . 2 . 1 1 6 6 SER HB3 H . . . . 5 . HB3 rr_2l2w 1
30 1 . 1 . 1 1 6 6 SER HB2 H . . . . 5 . HB2 rr_2l2w 1
30 1 . 2 . 1 1 6 6 SER HB3 H . . . . 5 . HB3 rr_2l2w 1
31 1 . 1 . 1 1 8 8 THR H H . . . . 7 . H rr_2l2w 1
31 1 . 2 . 1 1 8 8 THR HA H . . . . 7 . HA rr_2l2w 1
32 1 . 1 . 1 1 8 8 THR H H . . . . 7 . H rr_2l2w 1
32 1 . 2 . 1 1 8 8 THR HB H . . . . 7 . HB rr_2l2w 1
33 1 . 1 . 1 1 8 8 THR H H . . . . 7 . H rr_2l2w 1
33 1 . 2 . 1 1 8 8 THR MG H . . . . 7 . HG2# rr_2l2w 1
34 1 . 1 . 1 1 8 8 THR HA H . . . . 7 . HA rr_2l2w 1
34 1 . 2 . 1 1 8 8 THR HB H . . . . 7 . HB rr_2l2w 1
35 1 . 1 . 1 1 8 8 THR HA H . . . . 7 . HA rr_2l2w 1
35 1 . 2 . 1 1 8 8 THR MG H . . . . 7 . HG2# rr_2l2w 1
36 1 . 1 . 1 1 8 8 THR HB H . . . . 7 . HB rr_2l2w 1
36 1 . 2 . 1 1 8 8 THR MG H . . . . 7 . HG2# rr_2l2w 1
37 1 . 1 . 1 1 10 10 Dcy HA H . . . . 9 . HA rr_2l2w 1
37 1 . 2 . 1 1 10 10 Dcy HB2 H . . . . 9 . HB2 rr_2l2w 1
38 1 . 1 . 1 1 10 10 Dcy HA H . . . . 9 . HA rr_2l2w 1
38 1 . 2 . 1 1 10 10 Dcy HB3 H . . . . 9 . HB3 rr_2l2w 1
39 1 . 1 . 1 1 10 10 Dcy HB2 H . . . . 9 . HB2 rr_2l2w 1
39 1 . 2 . 1 1 10 10 Dcy HB3 H . . . . 9 . HB3 rr_2l2w 1
40 1 . 1 . 1 1 11 11 Ts9 H H . . . . 10 . H rr_2l2w 1
40 1 . 2 . 1 1 11 11 Ts9 HA H . . . . 10 . HA rr_2l2w 1
41 1 . 1 . 1 1 11 11 Ts9 H H . . . . 10 . H rr_2l2w 1
41 1 . 2 . 1 1 11 11 Ts9 HG1 H . . . . 10 . HG1 rr_2l2w 1
42 1 . 1 . 1 1 11 11 Ts9 HA H . . . . 10 . HA rr_2l2w 1
42 1 . 2 . 1 1 11 11 Ts9 HG1 H . . . . 10 . HG1 rr_2l2w 1
43 1 . 1 . 1 1 13 13 THR H H . . . . 12 . H rr_2l2w 1
43 1 . 2 . 1 1 13 13 THR HA H . . . . 12 . HA rr_2l2w 1
44 1 . 1 . 1 1 13 13 THR H H . . . . 12 . H rr_2l2w 1
44 1 . 2 . 1 1 13 13 THR HB H . . . . 12 . HB rr_2l2w 1
45 1 . 1 . 1 1 13 13 THR H H . . . . 12 . H rr_2l2w 1
45 1 . 2 . 1 1 13 13 THR MG H . . . . 12 . HG2# rr_2l2w 1
46 1 . 1 . 1 1 13 13 THR HA H . . . . 12 . HA rr_2l2w 1
46 1 . 2 . 1 1 13 13 THR HB H . . . . 12 . HB rr_2l2w 1
47 1 . 1 . 1 1 13 13 THR HA H . . . . 12 . HA rr_2l2w 1
47 1 . 2 . 1 1 13 13 THR MG H . . . . 12 . HG2# rr_2l2w 1
48 1 . 1 . 1 1 13 13 THR HB H . . . . 12 . HB rr_2l2w 1
48 1 . 2 . 1 1 13 13 THR MG H . . . . 12 . HG2# rr_2l2w 1
49 1 . 1 . 1 1 15 15 Mh6 HB2 H . . . . 14 . HB2 rr_2l2w 1
49 1 . 2 . 1 1 15 15 Mh6 HB3 H . . . . 14 . HB3 rr_2l2w 1
50 1 . 1 . 1 1 17 17 DHA H H . . . . 16 . H rr_2l2w 1
50 1 . 2 . 1 1 17 17 DHA HB1 H . . . . 16 . HB1 rr_2l2w 1
51 1 . 1 . 1 1 17 17 DHA H H . . . . 16 . H rr_2l2w 1
51 1 . 2 . 1 1 17 17 DHA HB2 H . . . . 16 . HB2 rr_2l2w 1
52 1 . 1 . 1 1 17 17 DHA HB1 H . . . . 16 . HB1 rr_2l2w 1
52 1 . 2 . 1 1 17 17 DHA HB2 H . . . . 16 . HB2 rr_2l2w 1
53 1 . 1 . 1 1 18 18 DHA H H . . . . 17 . H rr_2l2w 1
53 1 . 2 . 1 1 18 18 DHA HB1 H . . . . 17 . HB1 rr_2l2w 1
54 1 . 1 . 1 1 18 18 DHA H H . . . . 17 . H rr_2l2w 1
54 1 . 2 . 1 1 18 18 DHA HB2 H . . . . 17 . HB2 rr_2l2w 1
55 1 . 1 . 1 1 18 18 DHA HB1 H . . . . 17 . HB1 rr_2l2w 1
55 1 . 2 . 1 1 18 18 DHA HB2 H . . . . 17 . HB2 rr_2l2w 1
56 1 . 1 . 1 1 19 19 NH2 HN1 H . . . . 18 . HN1 rr_2l2w 1
56 1 . 2 . 1 1 19 19 NH2 HN2 H . . . . 18 . HN2 rr_2l2w 1
57 1 . 1 . 1 1 1 1 QUA HC6 H . . . . 0 . HC6 rr_2l2w 1
57 1 . 2 . 1 1 2 2 ILE HA H . . . . 1 . HA rr_2l2w 1
58 1 . 1 . 1 1 1 1 QUA HC71 H . . . . 0 . HC71 rr_2l2w 1
58 1 . 2 . 1 1 2 2 ILE HA H . . . . 1 . HA rr_2l2w 1
59 1 . 1 . 1 1 1 1 QUA HC71 H . . . . 0 . HC71 rr_2l2w 1
59 1 . 2 . 1 1 2 2 ILE MG H . . . . 1 . HG2# rr_2l2w 1
60 1 . 1 . 1 1 1 1 QUA HC8 H . . . . 0 . HC8 rr_2l2w 1
60 1 . 2 . 1 1 2 2 ILE HA H . . . . 1 . HA rr_2l2w 1
61 1 . 1 . 1 1 1 1 QUA HC8 H . . . . 0 . HC8 rr_2l2w 1
61 1 . 2 . 1 1 2 2 ILE HB H . . . . 1 . HB rr_2l2w 1
62 1 . 1 . 1 1 1 1 QUA HC8 H . . . . 0 . HC8 rr_2l2w 1
62 1 . 2 . 1 1 2 2 ILE HG12 H . . . . 1 . HG12 rr_2l2w 1
63 1 . 1 . 1 1 2 2 ILE HA H . . . . 1 . HA rr_2l2w 1
63 1 . 2 . 1 1 3 3 ALA H H . . . . 2 . H rr_2l2w 1
64 1 . 1 . 1 1 2 2 ILE HA H . . . . 1 . HA rr_2l2w 1
64 1 . 2 . 1 1 3 3 ALA HA H . . . . 2 . HA rr_2l2w 1
65 1 . 1 . 1 1 2 2 ILE HA H . . . . 1 . HA rr_2l2w 1
65 1 . 2 . 1 1 3 3 ALA MB H . . . . 2 . HB# rr_2l2w 1
66 1 . 1 . 1 1 2 2 ILE HB H . . . . 1 . HB rr_2l2w 1
66 1 . 2 . 1 1 3 3 ALA H H . . . . 2 . H rr_2l2w 1
67 1 . 1 . 1 1 2 2 ILE HB H . . . . 1 . HB rr_2l2w 1
67 1 . 2 . 1 1 3 3 ALA MB H . . . . 2 . HB# rr_2l2w 1
68 1 . 1 . 1 1 2 2 ILE HG13 H . . . . 1 . HG13 rr_2l2w 1
68 1 . 2 . 1 1 3 3 ALA H H . . . . 2 . H rr_2l2w 1
69 1 . 1 . 1 1 3 3 ALA H H . . . . 2 . H rr_2l2w 1
69 1 . 2 . 1 1 4 4 DHA HB1 H . . . . 3 . HB1 rr_2l2w 1
70 1 . 1 . 1 1 3 3 ALA HA H . . . . 2 . HA rr_2l2w 1
70 1 . 2 . 1 1 4 4 DHA H H . . . . 3 . H rr_2l2w 1
71 1 . 1 . 1 1 3 3 ALA MB H . . . . 2 . HB# rr_2l2w 1
71 1 . 2 . 1 1 4 4 DHA H H . . . . 3 . H rr_2l2w 1
72 1 . 1 . 1 1 3 3 ALA MB H . . . . 2 . HB# rr_2l2w 1
72 1 . 2 . 1 1 4 4 DHA HB2 H . . . . 3 . HB2 rr_2l2w 1
73 1 . 1 . 1 1 4 4 DHA H H . . . . 3 . H rr_2l2w 1
73 1 . 2 . 1 1 5 5 ALA HA H . . . . 4 . HA rr_2l2w 1
74 1 . 1 . 1 1 4 4 DHA H H . . . . 3 . H rr_2l2w 1
74 1 . 2 . 1 1 5 5 ALA MB H . . . . 4 . HB# rr_2l2w 1
75 1 . 1 . 1 1 4 4 DHA HB1 H . . . . 3 . HB1 rr_2l2w 1
75 1 . 2 . 1 1 5 5 ALA H H . . . . 4 . H rr_2l2w 1
76 1 . 1 . 1 1 4 4 DHA HB2 H . . . . 3 . HB2 rr_2l2w 1
76 1 . 2 . 1 1 5 5 ALA H H . . . . 4 . H rr_2l2w 1
77 1 . 1 . 1 1 4 4 DHA HB2 H . . . . 3 . HB2 rr_2l2w 1
77 1 . 2 . 1 1 5 5 ALA HA H . . . . 4 . HA rr_2l2w 1
78 1 . 1 . 1 1 4 4 DHA HB2 H . . . . 3 . HB2 rr_2l2w 1
78 1 . 2 . 1 1 5 5 ALA MB H . . . . 4 . HB# rr_2l2w 1
79 1 . 1 . 1 1 5 5 ALA H H . . . . 4 . H rr_2l2w 1
79 1 . 2 . 1 1 6 6 SER H H . . . . 5 . H rr_2l2w 1
80 1 . 1 . 1 1 5 5 ALA HA H . . . . 4 . HA rr_2l2w 1
80 1 . 2 . 1 1 6 6 SER H H . . . . 5 . H rr_2l2w 1
81 1 . 1 . 1 1 5 5 ALA MB H . . . . 4 . HB# rr_2l2w 1
81 1 . 2 . 1 1 6 6 SER H H . . . . 5 . H rr_2l2w 1
82 1 . 1 . 1 1 6 6 SER HB2 H . . . . 5 . HB2 rr_2l2w 1
82 1 . 2 . 1 1 7 7 Bb9 HB H . . . . 6 . HB rr_2l2w 1
83 1 . 1 . 1 1 6 6 SER HB3 H . . . . 5 . HB3 rr_2l2w 1
83 1 . 2 . 1 1 7 7 Bb9 HB H . . . . 6 . HB rr_2l2w 1
84 1 . 1 . 1 1 7 7 Bb9 HB H . . . . 6 . HB rr_2l2w 1
84 1 . 2 . 1 1 8 8 THR H H . . . . 7 . H rr_2l2w 1
85 1 . 1 . 1 1 7 7 Bb9 HB H . . . . 6 . HB rr_2l2w 1
85 1 . 2 . 1 1 8 8 THR HA H . . . . 7 . HA rr_2l2w 1
86 1 . 1 . 1 1 7 7 Bb9 HB H . . . . 6 . HB rr_2l2w 1
86 1 . 2 . 1 1 8 8 THR MG H . . . . 7 . HG2# rr_2l2w 1
87 1 . 1 . 1 1 8 8 THR H H . . . . 7 . H rr_2l2w 1
87 1 . 2 . 1 1 9 9 DBU HG* H . . . . 8 . HG# rr_2l2w 1
88 1 . 1 . 1 1 8 8 THR HA H . . . . 7 . HA rr_2l2w 1
88 1 . 2 . 1 1 9 9 DBU HG* H . . . . 8 . HG# rr_2l2w 1
89 1 . 1 . 1 1 10 10 Dcy HA H . . . . 9 . HA rr_2l2w 1
89 1 . 2 . 1 1 11 11 Ts9 H H . . . . 10 . H rr_2l2w 1
90 1 . 1 . 1 1 10 10 Dcy HA H . . . . 9 . HA rr_2l2w 1
90 1 . 2 . 1 1 11 11 Ts9 HA H . . . . 10 . HA rr_2l2w 1
91 1 . 1 . 1 1 10 10 Dcy HA H . . . . 9 . HA rr_2l2w 1
91 1 . 2 . 1 1 11 11 Ts9 HG1 H . . . . 10 . HG1 rr_2l2w 1
92 1 . 1 . 1 1 10 10 Dcy HB2 H . . . . 9 . HB2 rr_2l2w 1
92 1 . 2 . 1 1 11 11 Ts9 H H . . . . 10 . H rr_2l2w 1
93 1 . 1 . 1 1 10 10 Dcy HB2 H . . . . 9 . HB2 rr_2l2w 1
93 1 . 2 . 1 1 11 11 Ts9 HA H . . . . 10 . HA rr_2l2w 1
94 1 . 1 . 1 1 11 11 Ts9 HA H . . . . 10 . HA rr_2l2w 1
94 1 . 2 . 1 1 12 12 Bb9 HB H . . . . 11 . HB rr_2l2w 1
95 1 . 1 . 1 1 12 12 Bb9 HB H . . . . 11 . HB rr_2l2w 1
95 1 . 2 . 1 1 13 13 THR H H . . . . 12 . H rr_2l2w 1
96 1 . 1 . 1 1 12 12 Bb9 HB H . . . . 11 . HB rr_2l2w 1
96 1 . 2 . 1 1 13 13 THR HA H . . . . 12 . HA rr_2l2w 1
97 1 . 1 . 1 1 12 12 Bb9 HB H . . . . 11 . HB rr_2l2w 1
97 1 . 2 . 1 1 13 13 THR MG H . . . . 12 . HG2# rr_2l2w 1
98 1 . 1 . 1 1 13 13 THR HA H . . . . 12 . HA rr_2l2w 1
98 1 . 2 . 1 1 14 14 Bb9 HB H . . . . 13 . HB rr_2l2w 1
99 1 . 1 . 1 1 16 16 Bb9 HB H . . . . 15 . HB rr_2l2w 1
99 1 . 2 . 1 1 17 17 DHA H H . . . . 16 . H rr_2l2w 1
100 1 . 1 . 1 1 16 16 Bb9 HB H . . . . 15 . HB rr_2l2w 1
100 1 . 2 . 1 1 17 17 DHA HB1 H . . . . 16 . HB1 rr_2l2w 1
101 1 . 1 . 1 1 17 17 DHA H H . . . . 16 . H rr_2l2w 1
101 1 . 2 . 1 1 18 18 DHA H H . . . . 17 . H rr_2l2w 1
102 1 . 1 . 1 1 17 17 DHA H H . . . . 16 . H rr_2l2w 1
102 1 . 2 . 1 1 18 18 DHA HB1 H . . . . 17 . HB1 rr_2l2w 1
103 1 . 1 . 1 1 17 17 DHA HB1 H . . . . 16 . HB1 rr_2l2w 1
103 1 . 2 . 1 1 18 18 DHA H H . . . . 17 . H rr_2l2w 1
104 1 . 1 . 1 1 17 17 DHA HB2 H . . . . 16 . HB2 rr_2l2w 1
104 1 . 2 . 1 1 18 18 DHA H H . . . . 17 . H rr_2l2w 1
105 1 . 1 . 1 1 18 18 DHA HB2 H . . . . 17 . HB2 rr_2l2w 1
105 1 . 2 . 1 1 19 19 NH2 HN1 H . . . . 18 . HN1 rr_2l2w 1
106 1 . 1 . 1 1 18 18 DHA HB2 H . . . . 17 . HB2 rr_2l2w 1
106 1 . 2 . 1 1 19 19 NH2 HN2 H . . . . 18 . HN2 rr_2l2w 1
107 1 . 1 . 1 1 1 1 QUA HC3 H . . . . 0 . HC3 rr_2l2w 1
107 1 . 2 . 1 1 13 13 THR MG H . . . . 12 . HG2# rr_2l2w 1
108 1 . 1 . 1 1 1 1 QUA HC8 H . . . . 0 . HC8 rr_2l2w 1
108 1 . 2 . 1 1 13 13 THR MG H . . . . 12 . HG2# rr_2l2w 1
109 1 . 1 . 1 1 6 6 SER H H . . . . 5 . H rr_2l2w 1
109 1 . 2 . 1 1 14 14 Bb9 HB H . . . . 13 . HB rr_2l2w 1
110 1 . 1 . 1 1 6 6 SER HB2 H . . . . 5 . HB2 rr_2l2w 1
110 1 . 2 . 1 1 14 14 Bb9 HB H . . . . 13 . HB rr_2l2w 1
111 1 . 1 . 1 1 6 6 SER HB3 H . . . . 5 . HB3 rr_2l2w 1
111 1 . 2 . 1 1 14 14 Bb9 HB H . . . . 13 . HB rr_2l2w 1
112 1 . 1 . 1 1 6 6 SER H H . . . . 5 . H rr_2l2w 1
112 1 . 2 . 1 1 15 15 Mh6 HB2 H . . . . 14 . HB2 rr_2l2w 1
113 1 . 1 . 1 1 6 6 SER H H . . . . 5 . H rr_2l2w 1
113 1 . 2 . 1 1 15 15 Mh6 HB3 H . . . . 14 . HB3 rr_2l2w 1
114 1 . 1 . 1 1 6 6 SER HB2 H . . . . 5 . HB2 rr_2l2w 1
114 1 . 2 . 1 1 15 15 Mh6 HB2 H . . . . 14 . HB2 rr_2l2w 1
115 1 . 1 . 1 1 6 6 SER HB2 H . . . . 5 . HB2 rr_2l2w 1
115 1 . 2 . 1 1 15 15 Mh6 HB3 H . . . . 14 . HB3 rr_2l2w 1
116 1 . 1 . 1 1 6 6 SER HB3 H . . . . 5 . HB3 rr_2l2w 1
116 1 . 2 . 1 1 15 15 Mh6 HB2 H . . . . 14 . HB2 rr_2l2w 1
117 1 . 1 . 1 1 6 6 SER HB3 H . . . . 5 . HB3 rr_2l2w 1
117 1 . 2 . 1 1 15 15 Mh6 HB3 H . . . . 14 . HB3 rr_2l2w 1
118 1 . 1 . 1 1 1 1 QUA HC3 H . . . . 0 . HC3 rr_2l2w 1
118 1 . 2 . 1 1 4 4 DHA H H . . . . 3 . H rr_2l2w 1
119 1 . 1 . 1 1 1 1 QUA HC3 H . . . . 0 . HC3 rr_2l2w 1
119 1 . 2 . 1 1 4 4 DHA HB1 H . . . . 3 . HB1 rr_2l2w 1
120 1 . 1 . 1 1 1 1 QUA HC3 H . . . . 0 . HC3 rr_2l2w 1
120 1 . 2 . 1 1 4 4 DHA HB2 H . . . . 3 . HB2 rr_2l2w 1
121 1 . 1 . 1 1 1 1 QUA HC3 H . . . . 0 . HC3 rr_2l2w 1
121 1 . 2 . 1 1 5 5 ALA HA H . . . . 4 . HA rr_2l2w 1
122 1 . 1 . 1 1 1 1 QUA HC3 H . . . . 0 . HC3 rr_2l2w 1
122 1 . 2 . 1 1 5 5 ALA MB H . . . . 4 . HB# rr_2l2w 1
123 1 . 1 . 1 1 1 1 QUA HC3 H . . . . 0 . HC3 rr_2l2w 1
123 1 . 2 . 1 1 6 6 SER H H . . . . 5 . H rr_2l2w 1
124 1 . 1 . 1 1 1 1 QUA HC3 H . . . . 0 . HC3 rr_2l2w 1
124 1 . 2 . 1 1 7 7 Bb9 HB H . . . . 6 . HB rr_2l2w 1
125 1 . 1 . 1 1 1 1 QUA HC3 H . . . . 0 . HC3 rr_2l2w 1
125 1 . 2 . 1 1 8 8 THR HA H . . . . 7 . HA rr_2l2w 1
126 1 . 1 . 1 1 1 1 QUA HC3 H . . . . 0 . HC3 rr_2l2w 1
126 1 . 2 . 1 1 8 8 THR MG H . . . . 7 . HG2# rr_2l2w 1
127 1 . 1 . 1 1 1 1 QUA HC5 H . . . . 0 . HC5 rr_2l2w 1
127 1 . 2 . 1 1 8 8 THR HA H . . . . 7 . HA rr_2l2w 1
128 1 . 1 . 1 1 1 1 QUA HC6 H . . . . 0 . HC6 rr_2l2w 1
128 1 . 2 . 1 1 3 3 ALA H H . . . . 2 . H rr_2l2w 1
129 1 . 1 . 1 1 1 1 QUA HC8 H . . . . 0 . HC8 rr_2l2w 1
129 1 . 2 . 1 1 3 3 ALA H H . . . . 2 . H rr_2l2w 1
130 1 . 1 . 1 1 1 1 QUA HC8 H . . . . 0 . HC8 rr_2l2w 1
130 1 . 2 . 1 1 3 3 ALA MB H . . . . 2 . HB# rr_2l2w 1
131 1 . 1 . 1 1 1 1 QUA H13 H . . . . 0 . H13 rr_2l2w 1
131 1 . 2 . 1 1 7 7 Bb9 HB H . . . . 6 . HB rr_2l2w 1
132 1 . 1 . 1 1 1 1 QUA H13 H . . . . 0 . H13 rr_2l2w 1
132 1 . 2 . 1 1 8 8 THR HA H . . . . 7 . HA rr_2l2w 1
133 1 . 1 . 1 1 1 1 QUA M14 H . . . . 0 . H14# rr_2l2w 1
133 1 . 2 . 1 1 4 4 DHA HB1 H . . . . 3 . HB1 rr_2l2w 1
134 1 . 1 . 1 1 1 1 QUA M14 H . . . . 0 . H14# rr_2l2w 1
134 1 . 2 . 1 1 5 5 ALA H H . . . . 4 . H rr_2l2w 1
135 1 . 1 . 1 1 3 3 ALA HA H . . . . 2 . HA rr_2l2w 1
135 1 . 2 . 1 1 13 13 THR MG H . . . . 12 . HG2# rr_2l2w 1
136 1 . 1 . 1 1 3 3 ALA MB H . . . . 2 . HB# rr_2l2w 1
136 1 . 2 . 1 1 13 13 THR HB H . . . . 12 . HB rr_2l2w 1
137 1 . 1 . 1 1 3 3 ALA MB H . . . . 2 . HB# rr_2l2w 1
137 1 . 2 . 1 1 13 13 THR MG H . . . . 12 . HG2# rr_2l2w 1
138 1 . 1 . 1 1 4 4 DHA H H . . . . 3 . H rr_2l2w 1
138 1 . 2 . 1 1 13 13 THR HB H . . . . 12 . HB rr_2l2w 1
139 1 . 1 . 1 1 4 4 DHA H H . . . . 3 . H rr_2l2w 1
139 1 . 2 . 1 1 13 13 THR MG H . . . . 12 . HG2# rr_2l2w 1
140 1 . 1 . 1 1 4 4 DHA HB1 H . . . . 3 . HB1 rr_2l2w 1
140 1 . 2 . 1 1 7 7 Bb9 HB H . . . . 6 . HB rr_2l2w 1
141 1 . 1 . 1 1 5 5 ALA H H . . . . 4 . H rr_2l2w 1
141 1 . 2 . 1 1 13 13 THR HB H . . . . 12 . HB rr_2l2w 1
142 1 . 1 . 1 1 5 5 ALA HA H . . . . 4 . HA rr_2l2w 1
142 1 . 2 . 1 1 13 13 THR HA H . . . . 12 . HA rr_2l2w 1
143 1 . 1 . 1 1 5 5 ALA HA H . . . . 4 . HA rr_2l2w 1
143 1 . 2 . 1 1 13 13 THR HB H . . . . 12 . HB rr_2l2w 1
144 1 . 1 . 1 1 5 5 ALA HA H . . . . 4 . HA rr_2l2w 1
144 1 . 2 . 1 1 13 13 THR MG H . . . . 12 . HG2# rr_2l2w 1
145 1 . 1 . 1 1 5 5 ALA HA H . . . . 4 . HA rr_2l2w 1
145 1 . 2 . 1 1 15 15 Mh6 HB2 H . . . . 14 . HB2 rr_2l2w 1
146 1 . 1 . 1 1 5 5 ALA MB H . . . . 4 . HB# rr_2l2w 1
146 1 . 2 . 1 1 13 13 THR HA H . . . . 12 . HA rr_2l2w 1
147 1 . 1 . 1 1 5 5 ALA MB H . . . . 4 . HB# rr_2l2w 1
147 1 . 2 . 1 1 13 13 THR HB H . . . . 12 . HB rr_2l2w 1
148 1 . 1 . 1 1 5 5 ALA MB H . . . . 4 . HB# rr_2l2w 1
148 1 . 2 . 1 1 15 15 Mh6 HB2 H . . . . 14 . HB2 rr_2l2w 1
149 1 . 1 . 1 1 6 6 SER H H . . . . 5 . H rr_2l2w 1
149 1 . 2 . 1 1 13 13 THR HA H . . . . 12 . HA rr_2l2w 1
150 1 . 1 . 1 1 6 6 SER H H . . . . 5 . H rr_2l2w 1
150 1 . 2 . 1 1 13 13 THR HB H . . . . 12 . HB rr_2l2w 1
151 1 . 1 . 1 1 6 6 SER H H . . . . 5 . H rr_2l2w 1
151 1 . 2 . 1 1 13 13 THR MG H . . . . 12 . HG2# rr_2l2w 1
152 1 . 1 . 1 1 8 8 THR H H . . . . 7 . H rr_2l2w 1
152 1 . 2 . 1 1 14 14 Bb9 HB H . . . . 13 . HB rr_2l2w 1
153 1 . 1 . 1 1 8 8 THR HA H . . . . 7 . HA rr_2l2w 1
153 1 . 2 . 1 1 14 14 Bb9 HB H . . . . 13 . HB rr_2l2w 1
154 1 . 1 . 1 1 8 8 THR HB H . . . . 7 . HB rr_2l2w 1
154 1 . 2 . 1 1 13 13 THR H H . . . . 12 . H rr_2l2w 1
155 1 . 1 . 1 1 8 8 THR HB H . . . . 7 . HB rr_2l2w 1
155 1 . 2 . 1 1 14 14 Bb9 HB H . . . . 13 . HB rr_2l2w 1
156 1 . 1 . 1 1 8 8 THR MG H . . . . 7 . HG2# rr_2l2w 1
156 1 . 2 . 1 1 10 10 Dcy HA H . . . . 9 . HA rr_2l2w 1
157 1 . 1 . 1 1 8 8 THR MG H . . . . 7 . HG2# rr_2l2w 1
157 1 . 2 . 1 1 11 11 Ts9 H H . . . . 10 . H rr_2l2w 1
158 1 . 1 . 1 1 8 8 THR MG H . . . . 7 . HG2# rr_2l2w 1
158 1 . 2 . 1 1 11 11 Ts9 HA H . . . . 10 . HA rr_2l2w 1
159 1 . 1 . 1 1 8 8 THR MG H . . . . 7 . HG2# rr_2l2w 1
159 1 . 2 . 1 1 12 12 Bb9 HB H . . . . 11 . HB rr_2l2w 1
160 1 . 1 . 1 1 8 8 THR MG H . . . . 7 . HG2# rr_2l2w 1
160 1 . 2 . 1 1 13 13 THR H H . . . . 12 . H rr_2l2w 1
161 1 . 1 . 1 1 8 8 THR MG H . . . . 7 . HG2# rr_2l2w 1
161 1 . 2 . 1 1 13 13 THR HA H . . . . 12 . HA rr_2l2w 1
162 1 . 1 . 1 1 8 8 THR MG H . . . . 7 . HG2# rr_2l2w 1
162 1 . 2 . 1 1 14 14 Bb9 HB H . . . . 13 . HB rr_2l2w 1
163 1 . 1 . 1 1 9 9 DBU HG* H . . . . 8 . HG# rr_2l2w 1
163 1 . 2 . 1 1 14 14 Bb9 HB H . . . . 13 . HB rr_2l2w 1
164 1 . 1 . 1 1 11 11 Ts9 H H . . . . 10 . H rr_2l2w 1
164 1 . 2 . 1 1 13 13 THR H H . . . . 12 . H rr_2l2w 1
165 1 . 1 . 1 1 15 15 Mh6 HB2 H . . . . 14 . HB2 rr_2l2w 1
165 1 . 2 . 1 1 17 17 DHA H H . . . . 16 . H rr_2l2w 1
166 1 . 1 . 1 1 15 15 Mh6 HB3 H . . . . 14 . HB3 rr_2l2w 1
166 1 . 2 . 1 1 17 17 DHA H H . . . . 16 . H rr_2l2w 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 . . . . . . 4.05 2.00 6.10 rr_2l2w 1
2 1 . . . . . . 5.25 0.43 6.50 rr_2l2w 1
3 1 . . . . . . 2.14 1.57 2.71 rr_2l2w 1
4 1 . . . . . . 5.65 0.06 6.50 rr_2l2w 1
5 1 . . . . . . 5.41 0.30 6.50 rr_2l2w 1
6 1 . . . . . . 1.87 1.43 2.31 rr_2l2w 1
7 1 . . . . . . 2.56 1.74 3.38 rr_2l2w 1
8 1 . . . . . . 2.45 1.70 3.20 rr_2l2w 1
9 1 . . . . . . 4.19 2.00 6.38 rr_2l2w 1
10 1 . . . . . . 4.41 1.98 6.50 rr_2l2w 1
11 1 . . . . . . 3.58 1.98 5.18 rr_2l2w 1
12 1 . . . . . . 2.52 1.72 3.32 rr_2l2w 1
13 1 . . . . . . 2.45 1.70 3.20 rr_2l2w 1
14 1 . . . . . . 2.58 1.75 3.41 rr_2l2w 1
15 1 . . . . . . 2.59 1.75 3.43 rr_2l2w 1
16 1 . . . . . . 2.75 1.81 3.69 rr_2l2w 1
17 1 . . . . . . 2.40 1.68 3.12 rr_2l2w 1
18 1 . . . . . . 2.22 1.23 3.21 rr_2l2w 1
19 1 . . . . . . 2.46 1.55 3.37 rr_2l2w 1
20 1 . . . . . . 2.49 1.72 3.26 rr_2l2w 1
21 1 . . . . . . 2.48 1.71 3.25 rr_2l2w 1
22 1 . . . . . . 2.49 1.71 3.27 rr_2l2w 1
23 1 . . . . . . 4.00 1.60 6.40 rr_2l2w 1
24 1 . . . . . . 1.56 1.25 2.20 rr_2l2w 1
25 1 . . . . . . 2.76 1.81 3.71 rr_2l2w 1
26 1 . . . . . . 2.56 1.74 3.38 rr_2l2w 1
27 1 . . . . . . 2.20 1.59 2.81 rr_2l2w 1
28 1 . . . . . . 3.60 1.98 5.22 rr_2l2w 1
29 1 . . . . . . 4.03 2.00 6.06 rr_2l2w 1
30 1 . . . . . . 1.79 1.39 2.20 rr_2l2w 1
31 1 . . . . . . 2.58 1.75 3.41 rr_2l2w 1
32 1 . . . . . . 3.06 1.89 4.23 rr_2l2w 1
33 1 . . . . . . 2.54 1.73 3.35 rr_2l2w 1
34 1 . . . . . . 2.47 1.71 3.23 rr_2l2w 1
35 1 . . . . . . 3.34 1.94 4.74 rr_2l2w 1
36 1 . . . . . . 2.21 1.60 2.82 rr_2l2w 1
37 1 . . . . . . 2.87 1.84 3.90 rr_2l2w 1
38 1 . . . . . . 3.37 1.95 4.79 rr_2l2w 1
39 1 . . . . . . 2.49 1.71 3.27 rr_2l2w 1
40 1 . . . . . . 2.47 1.71 3.23 rr_2l2w 1
41 1 . . . . . . 2.53 1.73 3.33 rr_2l2w 1
42 1 . . . . . . 3.13 1.91 4.35 rr_2l2w 1
43 1 . . . . . . 2.72 1.80 3.64 rr_2l2w 1
44 1 . . . . . . 3.30 1.94 4.66 rr_2l2w 1
45 1 . . . . . . 2.66 1.77 3.55 rr_2l2w 1
46 1 . . . . . . 2.37 1.67 3.07 rr_2l2w 1
47 1 . . . . . . 2.36 1.66 3.06 rr_2l2w 1
48 1 . . . . . . 2.16 1.58 2.74 rr_2l2w 1
49 1 . . . . . . 2.25 1.61 2.89 rr_2l2w 1
50 1 . . . . . . 3.43 1.96 4.90 rr_2l2w 1
51 1 . . . . . . 3.59 1.98 5.20 rr_2l2w 1
52 1 . . . . . . 1.70 1.34 2.20 rr_2l2w 1
53 1 . . . . . . 3.96 1.22 6.50 rr_2l2w 1
54 1 . . . . . . 4.02 0.79 6.50 rr_2l2w 1
55 1 . . . . . . 1.78 1.39 2.20 rr_2l2w 1
56 1 . . . . . . 1.68 1.26 2.20 rr_2l2w 1
57 1 . . . . . . 4.50 1.97 6.50 rr_2l2w 1
58 1 . . . . . . 2.48 1.71 3.25 rr_2l2w 1
59 1 . . . . . . 3.04 1.88 4.20 rr_2l2w 1
60 1 . . . . . . 2.17 1.58 2.76 rr_2l2w 1
61 1 . . . . . . 4.78 1.92 6.50 rr_2l2w 1
62 1 . . . . . . 3.76 2.00 5.52 rr_2l2w 1
63 1 . . . . . . 3.14 1.91 4.37 rr_2l2w 1
64 1 . . . . . . 4.46 0.98 6.50 rr_2l2w 1
65 1 . . . . . . 2.70 1.79 3.61 rr_2l2w 1
66 1 . . . . . . 3.23 1.93 4.53 rr_2l2w 1
67 1 . . . . . . 3.09 1.90 4.28 rr_2l2w 1
68 1 . . . . . . 2.98 1.87 4.09 rr_2l2w 1
69 1 . . . . . . 3.24 1.66 4.82 rr_2l2w 1
70 1 . . . . . . 2.13 1.56 2.70 rr_2l2w 1
71 1 . . . . . . 2.72 1.80 3.64 rr_2l2w 1
72 1 . . . . . . 4.71 0.83 6.50 rr_2l2w 1
73 1 . . . . . . 4.01 1.20 6.50 rr_2l2w 1
74 1 . . . . . . 2.83 1.43 4.23 rr_2l2w 1
75 1 . . . . . . 3.78 1.99 5.57 rr_2l2w 1
76 1 . . . . . . 1.79 1.39 2.20 rr_2l2w 1
77 1 . . . . . . 5.26 1.11 6.50 rr_2l2w 1
78 1 . . . . . . 4.27 1.99 6.50 rr_2l2w 1
79 1 . . . . . . 3.53 1.35 5.71 rr_2l2w 1
80 1 . . . . . . 2.05 1.53 2.57 rr_2l2w 1
81 1 . . . . . . 3.38 1.95 4.81 rr_2l2w 1
82 1 . . . . . . 3.23 1.40 5.06 rr_2l2w 1
83 1 . . . . . . 3.19 1.41 4.97 rr_2l2w 1
84 1 . . . . . . 3.84 1.26 6.42 rr_2l2w 1
85 1 . . . . . . 4.62 0.89 6.50 rr_2l2w 1
86 1 . . . . . . 5.82 0.00 6.50 rr_2l2w 1
87 1 . . . . . . 2.65 1.60 3.70 rr_2l2w 1
88 1 . . . . . . 3.39 1.96 4.82 rr_2l2w 1
89 1 . . . . . . 2.82 1.83 3.81 rr_2l2w 1
90 1 . . . . . . 4.89 0.71 6.50 rr_2l2w 1
91 1 . . . . . . 3.94 2.00 5.88 rr_2l2w 1
92 1 . . . . . . 3.87 2.00 5.74 rr_2l2w 1
93 1 . . . . . . 3.44 1.37 5.51 rr_2l2w 1
94 1 . . . . . . 3.23 1.40 5.06 rr_2l2w 1
95 1 . . . . . . 4.41 1.49 6.50 rr_2l2w 1
96 1 . . . . . . 4.53 0.95 6.50 rr_2l2w 1
97 1 . . . . . . 3.09 1.90 4.28 rr_2l2w 1
98 1 . . . . . . 4.18 1.56 6.50 rr_2l2w 1
99 1 . . . . . . 4.39 1.01 6.50 rr_2l2w 1
100 1 . . . . . . 4.66 0.86 6.50 rr_2l2w 1
101 1 . . . . . . 4.28 1.08 6.50 rr_2l2w 1
102 1 . . . . . . 4.36 1.03 6.50 rr_2l2w 1
103 1 . . . . . . 4.38 1.98 6.50 rr_2l2w 1
104 1 . . . . . . 1.99 1.50 2.48 rr_2l2w 1
105 1 . . . . . . 3.73 1.99 5.47 rr_2l2w 1
106 1 . . . . . . 2.44 1.70 3.18 rr_2l2w 1
107 1 . . . . . . 5.03 0.60 6.50 rr_2l2w 1
108 1 . . . . . . 4.17 1.13 6.50 rr_2l2w 1
109 1 . . . . . . 4.24 1.54 6.50 rr_2l2w 1
110 1 . . . . . . 6.50 0.00 6.50 rr_2l2w 1
111 1 . . . . . . 4.52 1.96 6.50 rr_2l2w 1
112 1 . . . . . . 3.35 1.95 4.75 rr_2l2w 1
113 1 . . . . . . 5.17 0.49 6.50 rr_2l2w 1
114 1 . . . . . . 2.68 1.78 3.58 rr_2l2w 1
115 1 . . . . . . 2.96 1.86 4.06 rr_2l2w 1
116 1 . . . . . . 3.38 1.95 4.81 rr_2l2w 1
117 1 . . . . . . 2.59 1.75 3.43 rr_2l2w 1
118 1 . . . . . . 3.97 1.61 6.33 rr_2l2w 1
119 1 . . . . . . 3.51 1.97 5.05 rr_2l2w 1
120 1 . . . . . . 3.10 1.65 4.55 rr_2l2w 1
121 1 . . . . . . 3.09 1.42 4.76 rr_2l2w 1
122 1 . . . . . . 3.34 1.39 5.29 rr_2l2w 1
123 1 . . . . . . 2.69 1.42 3.96 rr_2l2w 1
124 1 . . . . . . 3.23 1.93 4.53 rr_2l2w 1
125 1 . . . . . . 5.01 0.61 6.50 rr_2l2w 1
126 1 . . . . . . 3.86 2.00 5.72 rr_2l2w 1
127 1 . . . . . . 5.09 0.55 6.50 rr_2l2w 1
128 1 . . . . . . 5.10 0.55 6.50 rr_2l2w 1
129 1 . . . . . . 3.11 1.90 4.32 rr_2l2w 1
130 1 . . . . . . 2.88 1.43 4.33 rr_2l2w 1
131 1 . . . . . . 4.17 2.00 6.34 rr_2l2w 1
132 1 . . . . . . 4.46 1.98 6.50 rr_2l2w 1
133 1 . . . . . . 2.59 1.75 3.43 rr_2l2w 1
134 1 . . . . . . 4.57 0.92 6.50 rr_2l2w 1
135 1 . . . . . . 2.95 1.86 4.04 rr_2l2w 1
136 1 . . . . . . 4.89 0.11 6.50 rr_2l2w 1
137 1 . . . . . . 3.32 1.94 4.70 rr_2l2w 1
138 1 . . . . . . 3.57 1.98 5.16 rr_2l2w 1
139 1 . . . . . . 2.48 1.71 3.25 rr_2l2w 1
140 1 . . . . . . 3.32 1.11 5.53 rr_2l2w 1
141 1 . . . . . . 4.46 0.97 6.50 rr_2l2w 1
142 1 . . . . . . 4.32 1.98 6.50 rr_2l2w 1
143 1 . . . . . . 2.27 1.63 2.91 rr_2l2w 1
144 1 . . . . . . 3.41 1.95 4.87 rr_2l2w 1
145 1 . . . . . . 4.89 0.70 6.50 rr_2l2w 1
146 1 . . . . . . 4.49 0.97 6.50 rr_2l2w 1
147 1 . . . . . . 4.09 2.00 6.18 rr_2l2w 1
148 1 . . . . . . 3.70 1.98 5.42 rr_2l2w 1
149 1 . . . . . . 3.60 1.98 5.22 rr_2l2w 1
150 1 . . . . . . 2.44 1.69 3.19 rr_2l2w 1
151 1 . . . . . . 4.25 1.99 6.50 rr_2l2w 1
152 1 . . . . . . 2.58 1.75 3.41 rr_2l2w 1
153 1 . . . . . . 5.26 0.42 6.50 rr_2l2w 1
154 1 . . . . . . 5.09 0.55 6.50 rr_2l2w 1
155 1 . . . . . . 6.22 0.00 6.50 rr_2l2w 1
156 1 . . . . . . 4.15 2.00 6.30 rr_2l2w 1
157 1 . . . . . . 2.19 1.59 2.79 rr_2l2w 1
158 1 . . . . . . 4.78 0.78 6.50 rr_2l2w 1
159 1 . . . . . . 5.30 0.00 6.50 rr_2l2w 1
160 1 . . . . . . 2.57 1.75 3.39 rr_2l2w 1
161 1 . . . . . . 3.82 1.64 6.00 rr_2l2w 1
162 1 . . . . . . 3.75 1.99 5.51 rr_2l2w 1
163 1 . . . . . . 2.93 1.86 4.00 rr_2l2w 1
164 1 . . . . . . 3.95 1.22 6.50 rr_2l2w 1
165 1 . . . . . . 4.29 1.53 6.50 rr_2l2w 1
166 1 . . . . . . 3.75 2.00 5.50 rr_2l2w 1
stop_
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1 "# Intraresidue NOEs" 1 1 1 19 rr_2l2w 1
2 "# Sequential NOEs" 69 1 69 17 rr_2l2w 1
3 "# Medium and long range NOEs" 148 1 148 28 rr_2l2w 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 37 1 "Not handling restraint 37, item 1, resonance(s) ' .8.H1' (nmrStar names),' .8.HB1' (nmrStar names) not linked" rr_2l2w 1
2 2 38 1 "Not handling restraint 38, item 1, resonance(s) ' .8.H1' (nmrStar names) not linked" rr_2l2w 1
3 2 39 1 "Not handling restraint 39, item 1, resonance(s) ' .8.HB1' (nmrStar names) not linked" rr_2l2w 1
4 2 45 1 "Not handling restraint 45, item 1, resonance(s) ' .10.HG2#' (nmrStar names) not linked" rr_2l2w 1
5 2 47 1 "Not handling restraint 47, item 1, resonance(s) ' .10.HG2#' (nmrStar names) not linked" rr_2l2w 1
6 2 48 1 "Not handling restraint 48, item 1, resonance(s) ' .10.HD1#' (nmrStar names) not linked" rr_2l2w 1
7 2 49 1 "Not handling restraint 49, item 1, resonance(s) ' .10.HG2#' (nmrStar names),' .10.HD1#' (nmrStar names) not linked" rr_2l2w 1
8 2 56 1 "Not handling restraint 56, item 1, resonance(s) ' .13.HC' (nmrStar names) not linked" rr_2l2w 1
9 2 95 1 "Not handling restraint 95, item 1, resonance(s) ' .8.H1' (nmrStar names) not linked" rr_2l2w 1
10 2 97 1 "Not handling restraint 97, item 1, resonance(s) ' .8.H1' (nmrStar names) not linked" rr_2l2w 1
11 2 98 1 "Not handling restraint 98, item 1, resonance(s) ' .8.HB1' (nmrStar names) not linked" rr_2l2w 1
12 2 100 1 "Not handling restraint 100, item 1, resonance(s) ' .8.H1' (nmrStar names) not linked" rr_2l2w 1
13 2 101 1 "Not handling restraint 101, item 1, resonance(s) ' .8.H1' (nmrStar names) not linked" rr_2l2w 1
14 2 102 1 "Not handling restraint 102, item 1, resonance(s) ' .8.H1' (nmrStar names) not linked" rr_2l2w 1
15 2 103 1 "Not handling restraint 103, item 1, resonance(s) ' .8.HB1' (nmrStar names) not linked" rr_2l2w 1
16 2 104 1 "Not handling restraint 104, item 1, resonance(s) ' .8.HB1' (nmrStar names) not linked" rr_2l2w 1
17 2 111 1 "Not handling restraint 111, item 1, resonance(s) ' .10.HG2#' (nmrStar names) not linked" rr_2l2w 1
18 2 116 1 "Not handling restraint 116, item 1, resonance(s) ' .13.HC' (nmrStar names) not linked" rr_2l2w 1
19 2 117 1 "Not handling restraint 117, item 1, resonance(s) ' .13.HC' (nmrStar names) not linked" rr_2l2w 1
20 2 129 1 "Not handling restraint 129, item 1, resonance(s) ' .13.HC' (nmrStar names) not linked" rr_2l2w 1
21 2 131 1 "Not handling restraint 131, item 1, resonance(s) ' .13.HC' (nmrStar names) not linked" rr_2l2w 1
22 2 133 1 "Not handling restraint 133, item 1, resonance(s) ' .13.HC' (nmrStar names) not linked" rr_2l2w 1
23 2 151 1 "Not handling restraint 151, item 1, resonance(s) ' .10.HD1#' (nmrStar names) not linked" rr_2l2w 1
24 2 158 1 "Not handling restraint 158, item 1, resonance(s) ' .10.HD1#' (nmrStar names) not linked" rr_2l2w 1
25 2 177 1 "Not handling restraint 177, item 1, resonance(s) ' .13.HC' (nmrStar names) not linked" rr_2l2w 1
26 2 188 1 "Not handling restraint 188, item 1, resonance(s) ' .8.H1' (nmrStar names) not linked" rr_2l2w 1
27 2 191 1 "Not handling restraint 191, item 1, resonance(s) ' .10.HG2#' (nmrStar names) not linked" rr_2l2w 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_3_1
_Distance_constraint_list.Entry_ID rr_2l2w
_Distance_constraint_list.ID 2
_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 3
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_2l2w 2
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 2 . OR rr_2l2w 2
1 2 . 3 . rr_2l2w 2
1 3 . . . rr_2l2w 2
2 1 2 . OR rr_2l2w 2
2 2 . 3 . rr_2l2w 2
2 3 . 4 . rr_2l2w 2
2 4 . . . rr_2l2w 2
3 1 2 . OR rr_2l2w 2
3 2 . 3 . rr_2l2w 2
3 3 . 4 . rr_2l2w 2
3 4 . . . rr_2l2w 2
4 1 2 . OR rr_2l2w 2
4 2 . 3 . rr_2l2w 2
4 3 . . . rr_2l2w 2
5 1 2 . OR rr_2l2w 2
5 2 . 3 . rr_2l2w 2
5 3 . . . rr_2l2w 2
6 1 2 . OR rr_2l2w 2
6 2 . 3 . rr_2l2w 2
6 3 . . . rr_2l2w 2
7 1 2 . OR rr_2l2w 2
7 2 . 3 . rr_2l2w 2
7 3 . 4 . rr_2l2w 2
7 4 . . . rr_2l2w 2
8 1 2 . OR rr_2l2w 2
8 2 . 3 . rr_2l2w 2
8 3 . . . rr_2l2w 2
9 1 2 . OR rr_2l2w 2
9 2 . 3 . rr_2l2w 2
9 3 . . . rr_2l2w 2
10 1 2 . OR rr_2l2w 2
10 2 . 3 . rr_2l2w 2
10 3 . . . rr_2l2w 2
11 1 2 . OR rr_2l2w 2
11 2 . 3 . rr_2l2w 2
11 3 . . . rr_2l2w 2
12 1 2 . OR rr_2l2w 2
12 2 . 3 . rr_2l2w 2
12 3 . . . rr_2l2w 2
13 1 2 . OR rr_2l2w 2
13 2 . 3 . rr_2l2w 2
13 3 . . . rr_2l2w 2
14 1 2 . OR rr_2l2w 2
14 2 . 3 . rr_2l2w 2
14 3 . . . rr_2l2w 2
15 1 2 . OR rr_2l2w 2
15 2 . 3 . rr_2l2w 2
15 3 . . . rr_2l2w 2
16 1 2 . OR rr_2l2w 2
16 2 . 3 . rr_2l2w 2
16 3 . . . rr_2l2w 2
17 1 2 . OR rr_2l2w 2
17 2 . 3 . rr_2l2w 2
17 3 . . . rr_2l2w 2
18 1 2 . OR rr_2l2w 2
18 2 . 3 . rr_2l2w 2
18 3 . . . rr_2l2w 2
19 1 2 . OR rr_2l2w 2
19 2 . 3 . rr_2l2w 2
19 3 . . . rr_2l2w 2
20 1 2 . OR rr_2l2w 2
20 2 . 3 . rr_2l2w 2
20 3 . 4 . rr_2l2w 2
20 4 . . . rr_2l2w 2
21 1 2 . OR rr_2l2w 2
21 2 . 3 . rr_2l2w 2
21 3 . . . rr_2l2w 2
22 1 2 . OR rr_2l2w 2
22 2 . 3 . rr_2l2w 2
22 3 . . . rr_2l2w 2
23 1 2 . OR rr_2l2w 2
23 2 . 3 . rr_2l2w 2
23 3 . . . rr_2l2w 2
24 1 2 . OR rr_2l2w 2
24 2 . 3 . rr_2l2w 2
24 3 . . . rr_2l2w 2
25 1 2 . OR rr_2l2w 2
25 2 . 3 . rr_2l2w 2
25 3 . 4 . rr_2l2w 2
25 4 . 5 . rr_2l2w 2
25 5 . . . rr_2l2w 2
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 2 . 1 . 1 1 1 1 QUA HC3 H . . . . 0 . HC3 rr_2l2w 2
1 2 . 2 . 1 1 1 1 QUA HC6 H . . . . 0 . HC6 rr_2l2w 2
1 3 . 1 . 1 1 1 1 QUA HC3 H . . . . 0 . HC3 rr_2l2w 2
1 3 . 2 . 1 1 13 13 THR HB H . . . . 12 . HB rr_2l2w 2
2 2 . 1 . 1 1 1 1 QUA HC6 H . . . . 0 . HC6 rr_2l2w 2
2 2 . 2 . 1 1 3 3 ALA HA H . . . . 2 . HA rr_2l2w 2
2 3 . 1 . 1 1 1 1 QUA HC6 H . . . . 0 . HC6 rr_2l2w 2
2 3 . 2 . 1 1 11 11 Ts9 HG1 H . . . . 10 . HG1 rr_2l2w 2
2 4 . 1 . 1 1 13 13 THR HB H . . . . 12 . HB rr_2l2w 2
2 4 . 2 . 1 1 3 3 ALA HA H . . . . 2 . HA rr_2l2w 2
3 2 . 1 . 1 1 1 1 QUA HC8 H . . . . 0 . HC8 rr_2l2w 2
3 2 . 2 . 1 1 2 2 ILE MD H . . . . 1 . HD1# rr_2l2w 2
3 3 . 1 . 1 1 1 1 QUA HC8 H . . . . 0 . HC8 rr_2l2w 2
3 3 . 2 . 1 1 2 2 ILE MG H . . . . 1 . HG2# rr_2l2w 2
3 4 . 1 . 1 1 1 1 QUA HC8 H . . . . 0 . HC8 rr_2l2w 2
3 4 . 2 . 1 1 8 8 THR MG H . . . . 7 . HG2# rr_2l2w 2
4 2 . 1 . 1 1 1 1 QUA HC8 H . . . . 0 . HC8 rr_2l2w 2
4 2 . 2 . 1 1 11 11 Ts9 HG1 H . . . . 10 . HG1 rr_2l2w 2
4 3 . 1 . 1 1 1 1 QUA HC8 H . . . . 0 . HC8 rr_2l2w 2
4 3 . 2 . 1 1 3 3 ALA HA H . . . . 2 . HA rr_2l2w 2
5 2 . 1 . 1 1 2 2 ILE MG H . . . . 1 . HG2# rr_2l2w 2
5 2 . 2 . 1 1 1 1 QUA HC5 H . . . . 0 . HC5 rr_2l2w 2
5 3 . 1 . 1 1 8 8 THR MG H . . . . 7 . HG2# rr_2l2w 2
5 3 . 2 . 1 1 1 1 QUA HC5 H . . . . 0 . HC5 rr_2l2w 2
6 2 . 1 . 1 1 2 2 ILE MG H . . . . 1 . HG2# rr_2l2w 2
6 2 . 2 . 1 1 1 1 QUA HC8 H . . . . 0 . HC8 rr_2l2w 2
6 3 . 1 . 1 1 8 8 THR MG H . . . . 7 . HG2# rr_2l2w 2
6 3 . 2 . 1 1 1 1 QUA HC8 H . . . . 0 . HC8 rr_2l2w 2
7 2 . 1 . 1 1 3 3 ALA H H . . . . 2 . H rr_2l2w 2
7 2 . 2 . 1 1 8 8 THR MG H . . . . 7 . HG2# rr_2l2w 2
7 3 . 1 . 1 1 3 3 ALA H H . . . . 2 . H rr_2l2w 2
7 3 . 2 . 1 1 2 2 ILE MD H . . . . 1 . HD1# rr_2l2w 2
7 4 . 1 . 1 1 3 3 ALA H H . . . . 2 . H rr_2l2w 2
7 4 . 2 . 1 1 2 2 ILE MG H . . . . 1 . HG2# rr_2l2w 2
8 2 . 1 . 1 1 3 3 ALA MB H . . . . 2 . HB# rr_2l2w 2
8 2 . 2 . 1 1 1 1 QUA HC6 H . . . . 0 . HC6 rr_2l2w 2
8 3 . 1 . 1 1 3 3 ALA MB H . . . . 2 . HB# rr_2l2w 2
8 3 . 2 . 1 1 13 13 THR HB H . . . . 12 . HB rr_2l2w 2
9 2 . 1 . 1 1 4 4 DHA HB1 H . . . . 3 . HB1 rr_2l2w 2
9 2 . 2 . 1 1 5 5 ALA HA H . . . . 4 . HA rr_2l2w 2
9 3 . 1 . 1 1 13 13 THR HA H . . . . 12 . HA rr_2l2w 2
9 3 . 2 . 1 1 5 5 ALA HA H . . . . 4 . HA rr_2l2w 2
10 2 . 1 . 1 1 4 4 DHA HB2 H . . . . 3 . HB2 rr_2l2w 2
10 2 . 2 . 1 1 1 1 QUA M14 H . . . . 0 . H14# rr_2l2w 2
10 3 . 1 . 1 1 1 1 QUA H13 H . . . . 0 . H13 rr_2l2w 2
10 3 . 2 . 1 1 1 1 QUA M14 H . . . . 0 . H14# rr_2l2w 2
11 2 . 1 . 1 1 4 4 DHA HB2 H . . . . 3 . HB2 rr_2l2w 2
11 2 . 2 . 1 1 1 1 QUA HC3 H . . . . 0 . HC3 rr_2l2w 2
11 3 . 1 . 1 1 1 1 QUA H13 H . . . . 0 . H13 rr_2l2w 2
11 3 . 2 . 1 1 1 1 QUA HC3 H . . . . 0 . HC3 rr_2l2w 2
12 2 . 1 . 1 1 5 5 ALA MB H . . . . 4 . HB# rr_2l2w 2
12 2 . 2 . 1 1 13 13 THR HA H . . . . 12 . HA rr_2l2w 2
12 3 . 1 . 1 1 5 5 ALA MB H . . . . 4 . HB# rr_2l2w 2
12 3 . 2 . 1 1 4 4 DHA HB1 H . . . . 3 . HB1 rr_2l2w 2
13 2 . 1 . 1 1 7 7 Bb9 HB H . . . . 6 . HB rr_2l2w 2
13 2 . 2 . 1 1 4 4 DHA HB2 H . . . . 3 . HB2 rr_2l2w 2
13 3 . 1 . 1 1 7 7 Bb9 HB H . . . . 6 . HB rr_2l2w 2
13 3 . 2 . 1 1 1 1 QUA H13 H . . . . 0 . H13 rr_2l2w 2
14 2 . 1 . 1 1 8 8 THR HB H . . . . 7 . HB rr_2l2w 2
14 2 . 2 . 1 1 1 1 QUA HC3 H . . . . 0 . HC3 rr_2l2w 2
14 3 . 1 . 1 1 1 1 QUA M14 H . . . . 0 . H14# rr_2l2w 2
14 3 . 2 . 1 1 1 1 QUA HC3 H . . . . 0 . HC3 rr_2l2w 2
15 2 . 1 . 1 1 8 8 THR HB H . . . . 7 . HB rr_2l2w 2
15 2 . 2 . 1 1 5 5 ALA HA H . . . . 4 . HA rr_2l2w 2
15 3 . 1 . 1 1 1 1 QUA M14 H . . . . 0 . H14# rr_2l2w 2
15 3 . 2 . 1 1 5 5 ALA HA H . . . . 4 . HA rr_2l2w 2
16 2 . 1 . 1 1 8 8 THR HB H . . . . 7 . HB rr_2l2w 2
16 2 . 2 . 1 1 7 7 Bb9 HB H . . . . 6 . HB rr_2l2w 2
16 3 . 1 . 1 1 1 1 QUA M14 H . . . . 0 . H14# rr_2l2w 2
16 3 . 2 . 1 1 7 7 Bb9 HB H . . . . 6 . HB rr_2l2w 2
17 2 . 1 . 1 1 8 8 THR MG H . . . . 7 . HG2# rr_2l2w 2
17 2 . 2 . 1 1 1 1 QUA HC71 H . . . . 0 . HC71 rr_2l2w 2
17 3 . 1 . 1 1 2 2 ILE MG H . . . . 1 . HG2# rr_2l2w 2
17 3 . 2 . 1 1 1 1 QUA HC71 H . . . . 0 . HC71 rr_2l2w 2
18 2 . 1 . 1 1 8 8 THR MG H . . . . 7 . HG2# rr_2l2w 2
18 2 . 2 . 1 1 3 3 ALA H H . . . . 2 . H rr_2l2w 2
18 3 . 1 . 1 1 2 2 ILE MG H . . . . 1 . HG2# rr_2l2w 2
18 3 . 2 . 1 1 3 3 ALA H H . . . . 2 . H rr_2l2w 2
19 2 . 1 . 1 1 8 8 THR MG H . . . . 7 . HG2# rr_2l2w 2
19 2 . 2 . 1 1 3 3 ALA HA H . . . . 2 . HA rr_2l2w 2
19 3 . 1 . 1 1 8 8 THR MG H . . . . 7 . HG2# rr_2l2w 2
19 3 . 2 . 1 1 11 11 Ts9 HG1 H . . . . 10 . HG1 rr_2l2w 2
20 2 . 1 . 1 1 8 8 THR MG H . . . . 7 . HG2# rr_2l2w 2
20 2 . 2 . 1 1 1 1 QUA HC6 H . . . . 0 . HC6 rr_2l2w 2
20 3 . 1 . 1 1 8 8 THR MG H . . . . 7 . HG2# rr_2l2w 2
20 3 . 2 . 1 1 13 13 THR HB H . . . . 12 . HB rr_2l2w 2
20 4 . 1 . 1 1 2 2 ILE MG H . . . . 1 . HG2# rr_2l2w 2
20 4 . 2 . 1 1 1 1 QUA HC6 H . . . . 0 . HC6 rr_2l2w 2
21 2 . 1 . 1 1 11 11 Ts9 HG1 H . . . . 10 . HG1 rr_2l2w 2
21 2 . 2 . 1 1 1 1 QUA HC6 H . . . . 0 . HC6 rr_2l2w 2
21 3 . 1 . 1 1 3 3 ALA HA H . . . . 2 . HA rr_2l2w 2
21 3 . 2 . 1 1 13 13 THR HB H . . . . 12 . HB rr_2l2w 2
22 2 . 1 . 1 1 11 11 Ts9 HG1 H . . . . 10 . HG1 rr_2l2w 2
22 2 . 2 . 1 1 2 2 ILE HA H . . . . 1 . HA rr_2l2w 2
22 3 . 1 . 1 1 3 3 ALA HA H . . . . 2 . HA rr_2l2w 2
22 3 . 2 . 1 1 2 2 ILE HA H . . . . 1 . HA rr_2l2w 2
23 2 . 1 . 1 1 13 13 THR HA H . . . . 12 . HA rr_2l2w 2
23 2 . 2 . 1 1 4 4 DHA H H . . . . 3 . H rr_2l2w 2
23 3 . 1 . 1 1 4 4 DHA HB1 H . . . . 3 . HB1 rr_2l2w 2
23 3 . 2 . 1 1 4 4 DHA H H . . . . 3 . H rr_2l2w 2
24 2 . 1 . 1 1 13 13 THR HB H . . . . 12 . HB rr_2l2w 2
24 2 . 2 . 1 1 8 8 THR MG H . . . . 7 . HG2# rr_2l2w 2
24 3 . 1 . 1 1 1 1 QUA HC6 H . . . . 0 . HC6 rr_2l2w 2
24 3 . 2 . 1 1 2 2 ILE MG H . . . . 1 . HG2# rr_2l2w 2
25 2 . 1 . 1 1 1 1 QUA HC6 H . . . . 0 . HC6 rr_2l2w 2
25 2 . 2 . 1 1 2 2 ILE MD H . . . . 1 . HD1# rr_2l2w 2
25 3 . 1 . 1 1 1 1 QUA HC6 H . . . . 0 . HC6 rr_2l2w 2
25 3 . 2 . 1 1 8 8 THR MG H . . . . 7 . HG2# rr_2l2w 2
25 4 . 1 . 1 1 13 13 THR HB H . . . . 12 . HB rr_2l2w 2
25 4 . 2 . 1 1 8 8 THR MG H . . . . 7 . HG2# rr_2l2w 2
25 5 . 1 . 1 1 1 1 QUA HC6 H . . . . 0 . HC6 rr_2l2w 2
25 5 . 2 . 1 1 2 2 ILE MG H . . . . 1 . HG2# rr_2l2w 2
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 2 . . . . . . 4.45 1.47 6.50 rr_2l2w 2
1 3 . . . . . . 4.45 1.47 6.50 rr_2l2w 2
2 2 . . . . . . 5.61 0.10 6.50 rr_2l2w 2
2 3 . . . . . . 5.61 0.10 6.50 rr_2l2w 2
2 4 . . . . . . 5.61 0.10 6.50 rr_2l2w 2
3 2 . . . . . . 3.72 1.99 5.45 rr_2l2w 2
3 3 . . . . . . 3.72 1.99 5.45 rr_2l2w 2
3 4 . . . . . . 3.72 1.99 5.45 rr_2l2w 2
4 2 . . . . . . 3.87 2.00 5.74 rr_2l2w 2
4 3 . . . . . . 3.87 2.00 5.74 rr_2l2w 2
5 2 . . . . . . 4.11 1.57 6.50 rr_2l2w 2
5 3 . . . . . . 4.11 1.57 6.50 rr_2l2w 2
6 2 . . . . . . 3.38 1.95 4.81 rr_2l2w 2
6 3 . . . . . . 3.38 1.95 4.81 rr_2l2w 2
7 2 . . . . . . 2.41 1.69 3.13 rr_2l2w 2
7 3 . . . . . . 2.41 1.69 3.13 rr_2l2w 2
7 4 . . . . . . 2.41 1.69 3.13 rr_2l2w 2
8 2 . . . . . . 4.53 0.94 6.50 rr_2l2w 2
8 3 . . . . . . 4.53 0.94 6.50 rr_2l2w 2
9 2 . . . . . . 4.49 1.97 6.50 rr_2l2w 2
9 3 . . . . . . 4.49 1.97 6.50 rr_2l2w 2
10 2 . . . . . . 2.33 1.52 3.14 rr_2l2w 2
10 3 . . . . . . 2.33 1.52 3.14 rr_2l2w 2
11 2 . . . . . . 2.98 1.87 4.09 rr_2l2w 2
11 3 . . . . . . 2.98 1.87 4.09 rr_2l2w 2
12 2 . . . . . . 4.16 1.99 6.33 rr_2l2w 2
12 3 . . . . . . 4.16 1.99 6.33 rr_2l2w 2
13 2 . . . . . . 5.25 0.00 6.50 rr_2l2w 2
13 3 . . . . . . 5.25 0.00 6.50 rr_2l2w 2
14 2 . . . . . . 2.83 1.83 3.83 rr_2l2w 2
14 3 . . . . . . 2.83 1.83 3.83 rr_2l2w 2
15 2 . . . . . . 4.59 1.44 6.50 rr_2l2w 2
15 3 . . . . . . 4.59 1.44 6.50 rr_2l2w 2
16 2 . . . . . . 4.21 1.99 6.43 rr_2l2w 2
16 3 . . . . . . 4.21 1.99 6.43 rr_2l2w 2
17 2 . . . . . . 3.24 1.41 5.07 rr_2l2w 2
17 3 . . . . . . 3.24 1.41 5.07 rr_2l2w 2
18 2 . . . . . . 2.52 1.56 3.48 rr_2l2w 2
18 3 . . . . . . 2.52 1.56 3.48 rr_2l2w 2
19 2 . . . . . . 3.56 1.98 5.14 rr_2l2w 2
19 3 . . . . . . 3.56 1.98 5.14 rr_2l2w 2
20 2 . . . . . . 3.53 1.97 5.09 rr_2l2w 2
20 3 . . . . . . 3.53 1.97 5.09 rr_2l2w 2
20 4 . . . . . . 3.53 1.97 5.09 rr_2l2w 2
21 2 . . . . . . 5.53 0.18 6.50 rr_2l2w 2
21 3 . . . . . . 5.53 0.18 6.50 rr_2l2w 2
22 2 . . . . . . 4.17 1.99 6.35 rr_2l2w 2
22 3 . . . . . . 4.17 1.99 6.35 rr_2l2w 2
23 2 . . . . . . 3.49 1.97 5.01 rr_2l2w 2
23 3 . . . . . . 3.49 1.97 5.01 rr_2l2w 2
24 2 . . . . . . 3.52 1.97 5.07 rr_2l2w 2
24 3 . . . . . . 3.52 1.97 5.07 rr_2l2w 2
25 2 . . . . . . 3.84 1.26 6.42 rr_2l2w 2
25 3 . . . . . . 3.84 1.26 6.42 rr_2l2w 2
25 4 . . . . . . 3.84 1.26 6.42 rr_2l2w 2
25 5 . . . . . . 3.84 1.26 6.42 rr_2l2w 2
stop_
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1 "# Ambiguous NOEs" 1 1 1 16 rr_2l2w 2
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 3 5 1 "Not handling restraint 5, item 2, resonance(s) ' .10.HG2#' (nmrStar names) not linked" rr_2l2w 2
2 3 6 1 "Not handling restraint 6, item 2, resonance(s) ' .10.HG2#' (nmrStar names) not linked" rr_2l2w 2
3 3 17 1 "Not handling restraint 17, item 2, resonance(s) ' .10.HD1#' (nmrStar names) not linked" rr_2l2w 2
4 3 18 1 "Not handling restraint 18, item 2, resonance(s) ' .10.HD1#' (nmrStar names) not linked" rr_2l2w 2
5 3 19 1 "Not handling restraint 19, item 2, resonance(s) ' .10.HD1#' (nmrStar names) not linked" rr_2l2w 2
6 3 22 1 "Not handling restraint 22, item 2, resonance(s) ' .10.HD1#' (nmrStar names) not linked" rr_2l2w 2
7 3 27 1 "Not handling restraint 27, item 2, resonance(s) ' .10.HD1#' (nmrStar names) not linked" rr_2l2w 2
8 3 28 1 "Not handling restraint 28, item 3, resonance(s) ' .10.HD1#' (nmrStar names) not linked" rr_2l2w 2
9 3 29 1 "Not handling restraint 29, item 3, resonance(s) ' .10.HD1#' (nmrStar names) not linked" rr_2l2w 2
10 3 30 1 "Not handling restraint 30, item 3, resonance(s) ' .10.HD1#' (nmrStar names) not linked" rr_2l2w 2
11 3 31 1 "Not handling restraint 31, item 3, resonance(s) ' .10.HD1#' (nmrStar names) not linked" rr_2l2w 2
12 3 34 1 "Not handling restraint 34, item 3, resonance(s) ' .10.HG2#' (nmrStar names) not linked" rr_2l2w 2
13 3 35 1 "Not handling restraint 35, item 3, resonance(s) ' .10.HG2#' (nmrStar names) not linked" rr_2l2w 2
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_2l2w
_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 27-AUG-10 2L2W *TITLE THIOSTREPTON *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: THIOSTREPTON; *COMPND 3 CHAIN: A; *COMPND 4 SYNONYM: ALANINAMIDE, BRYAMYCIN, GARGON, THIACTIN *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES AZUREUS; *SOURCE 3 ORGANISM_TAXID: 146537 *KEYWDS NATURAL ANTIBIOTIC, THIOPEPTIDE, ANTIBIOTIC, ANTIMICROBIAL, *KEYWDS 2 ANTIBACTERIAL, THIAZOLE, THIAZOLINE *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR H.R.A.JONKER, S.BAUMANN, A.WOLF, S.SCHOOF, F.HILLER, K.W.SCHULTE, *AUTHOR 2 K.N.KIRSCHNER, H.SCHWALBE, H.-D.ARNDT *REVDAT 1 02-FEB-11 2L2W 0"
save_
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