NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
641979 |
6qyu   |
34372 | cing | 3-converted-DOCR | STAR | entry | full | 20 |
data_DOCR_restraints_with_modified_coordinates_PDB_code_6qyu
# This DOCR archive file contains, for PDB entry <6qyu>:
#
# - 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_6qyu
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 6qyu"
_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 6qyu"
_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 6qyu "Master copy" rr_6qyu
stop_
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_6qyu
_Assembly.ID 1
_Assembly.Name 6qyu
_Assembly.Number_of_components 1
_Assembly.Organic_ligands 0
_Assembly.Metal_ions 0
_Assembly.Non_standard_bonds no
_Assembly.Paramagnetic no
_Assembly.Thiol_state "all free"
_Assembly.Molecular_mass 773.9229
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 "PHE DHA DAL LEU DHA LEU CYS ALA" 1 $PHE_DHA_DAL_LEU_DHA_LEU_CYS_ALA A . no . . . . . . rr_6qyu 1
stop_
save_
save_PHE_DHA_DAL_LEU_DHA_LEU_CYS_ALA
_Entity.Sf_category entity
_Entity.Sf_framecode PHE_DHA_DAL_LEU_DHA_LEU_CYS_ALA
_Entity.Entry_ID rr_6qyu
_Entity.ID 1
_Entity.Name PHE_DHA_DAL_LEU_DHA_LEU_CYS_ALA
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code FXXLXLCA
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer yes
_Entity.Nstd_chirality yes
_Entity.Nstd_linkage no
_Entity.Number_of_monomers 8
_Entity.Paramagnetic no
_Entity.Thiol_state "all free"
_Entity.Parent_entity_ID 1
_Entity.Formula_weight 773.9229
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 . PHE . rr_6qyu 1
2 . DHA . rr_6qyu 1
3 . DAL . rr_6qyu 1
4 . LEU . rr_6qyu 1
5 . DHA . rr_6qyu 1
6 . LEU . rr_6qyu 1
7 . CYS . rr_6qyu 1
8 . ALA . rr_6qyu 1
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. PHE 1 1 rr_6qyu 1
. DHA 2 2 rr_6qyu 1
. DAL 3 3 rr_6qyu 1
. LEU 4 4 rr_6qyu 1
. DHA 5 5 rr_6qyu 1
. LEU 6 6 rr_6qyu 1
. CYS 7 7 rr_6qyu 1
. ALA 8 8 rr_6qyu 1
stop_
save_
save_chem_comp_DHA
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_DHA
_Chem_comp.Entry_ID rr_6qyu
_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_6qyu DHA
stop_
save_
save_chem_comp_DAL
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_DAL
_Chem_comp.Entry_ID rr_6qyu
_Chem_comp.ID DAL
_Chem_comp.Name D-alanine
_Chem_comp.Type "L-peptide linking"
_Chem_comp.PDB_code DAL
_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 H5 N O"
_Chem_comp.Formula_weight 71.0786
loop_
_Chem_comp_common_name.Name
_Chem_comp_common_name.Type
_Chem_comp_common_name.Entry_ID
_Chem_comp_common_name.Comp_ID
D-alanine name rr_6qyu DAL
stop_
save_
save_conformer_statistics
_Conformer_stat_list.Sf_category conformer_statistics
_Conformer_stat_list.Sf_framecode conformer_statistics
_Conformer_stat_list.Entry_ID rr_6qyu
_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 15
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_6qyu
_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_6qyu 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_6qyu 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 PHE C C 8.609 2.231 8.194 . . . 1.0 . . . . . . . . . . . . A . 1 PHE C . . . . . . . . . rr_6qyu 1
. 1 . 2 . 1 1 1 PHE CA C 9.262 1.254 7.221 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CA . . . . . . . . . rr_6qyu 1
. 1 . 3 . 1 1 1 PHE CB C 9.404 1.907 5.847 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CB . . . . . . . . . rr_6qyu 1
. 1 . 4 . 1 1 1 PHE CD1 C 9.519 0.114 4.080 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CD1 . . . . . . . . . rr_6qyu 1
. 1 . 5 . 1 1 1 PHE CD2 C 11.588 1.036 4.944 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CD2 . . . . . . . . . rr_6qyu 1
. 1 . 6 . 1 1 1 PHE CE1 C 10.248 -0.731 3.235 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CE1 . . . . . . . . . rr_6qyu 1
. 1 . 7 . 1 1 1 PHE CE2 C 12.318 0.191 4.098 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CE2 . . . . . . . . . rr_6qyu 1
. 1 . 8 . 1 1 1 PHE CG C 10.189 0.996 4.935 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CG . . . . . . . . . rr_6qyu 1
. 1 . 9 . 1 1 1 PHE CZ C 11.647 -0.692 3.243 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CZ . . . . . . . . . rr_6qyu 1
. 1 . 10 . 1 1 1 PHE H1 H 7.726 0.010 7.877 . . . 1.0 . . . . . . . . . . . . A . 1 PHE H1 . . . . . . . . . rr_6qyu 1
. 1 . 11 . 1 1 1 PHE H2 H 9.024 -0.813 7.153 . . . 1.0 . . . . . . . . . . . . A . 1 PHE H2 . . . . . . . . . rr_6qyu 1
. 1 . 12 . 1 1 1 PHE H3 H 7.916 0.044 6.191 . . . 1.0 . . . . . . . . . . . . A . 1 PHE H3 . . . . . . . . . rr_6qyu 1
. 1 . 13 . 1 1 1 PHE HA H 10.239 0.979 7.591 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HA . . . . . . . . . rr_6qyu 1
. 1 . 14 . 1 1 1 PHE HB2 H 8.424 2.080 5.428 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HB2 . . . . . . . . . rr_6qyu 1
. 1 . 15 . 1 1 1 PHE HB3 H 9.923 2.848 5.950 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HB3 . . . . . . . . . rr_6qyu 1
. 1 . 16 . 1 1 1 PHE HD1 H 8.439 0.084 4.074 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HD1 . . . . . . . . . rr_6qyu 1
. 1 . 17 . 1 1 1 PHE HD2 H 12.104 1.717 5.603 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HD2 . . . . . . . . . rr_6qyu 1
. 1 . 18 . 1 1 1 PHE HE1 H 9.730 -1.412 2.575 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HE1 . . . . . . . . . rr_6qyu 1
. 1 . 19 . 1 1 1 PHE HE2 H 13.397 0.222 4.105 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HE2 . . . . . . . . . rr_6qyu 1
. 1 . 20 . 1 1 1 PHE HZ H 12.210 -1.343 2.592 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HZ . . . . . . . . . rr_6qyu 1
. 1 . 21 . 1 1 1 PHE N N 8.418 0.031 7.102 . . . 1.0 . . . . . . . . . . . . A . 1 PHE N . . . . . . . . . rr_6qyu 1
. 1 . 22 . 1 1 1 PHE O O 8.372 1.899 9.356 . . . 1.0 . . . . . . . . . . . . A . 1 PHE O . . . . . . . . . rr_6qyu 1
. 1 . 23 . 1 1 2 DHA C C 6.583 5.059 7.899 . . . 1.0 . . . . . . . . . . . . A . 2 DHA C . . . . . . . . . rr_6qyu 1
. 1 . 24 . 1 1 2 DHA CA C 7.716 4.395 8.550 . . . 1.0 . . . . . . . . . . . . A . 2 DHA CA . . . . . . . . . rr_6qyu 1
. 1 . 25 . 1 1 2 DHA CB C 8.036 4.744 9.792 . . . 1.0 . . . . . . . . . . . . A . 2 DHA CB . . . . . . . . . rr_6qyu 1
. 1 . 26 . 1 1 2 DHA H H 8.495 3.729 6.794 . . . 1.0 . . . . . . . . . . . . A . 2 DHA H . . . . . . . . . rr_6qyu 1
. 1 . 27 . 1 1 2 DHA HB1 H 8.851 4.285 10.273 . . . 1.0 . . . . . . . . . . . . A . 2 DHA HB1 . . . . . . . . . rr_6qyu 1
. 1 . 28 . 1 1 2 DHA HB2 H 7.465 5.497 10.316 . . . 1.0 . . . . . . . . . . . . A . 2 DHA HB2 . . . . . . . . . rr_6qyu 1
. 1 . 29 . 1 1 2 DHA N N 8.312 3.455 7.717 . . . 1.0 . . . . . . . . . . . . A . 2 DHA N . . . . . . . . . rr_6qyu 1
. 1 . 30 . 1 1 2 DHA O O 5.594 4.443 7.505 . . . 1.0 . . . . . . . . . . . . A . 2 DHA O . . . . . . . . . rr_6qyu 1
. 1 . 31 . 1 1 3 DAL C C 5.689 7.105 5.687 . . . 1.0 . . . . . . . . . . . . A . 3 DAL C . . . . . . . . . rr_6qyu 1
. 1 . 32 . 1 1 3 DAL CA C 5.608 7.131 7.217 . . . 1.0 . . . . . . . . . . . . A . 3 DAL CA . . . . . . . . . rr_6qyu 1
. 1 . 33 . 1 1 3 DAL CB C 4.300 6.523 7.722 . . . 1.0 . . . . . . . . . . . . A . 3 DAL CB . . . . . . . . . rr_6qyu 1
. 1 . 34 . 1 1 3 DAL H H 7.477 6.874 8.143 . . . 1.0 . . . . . . . . . . . . A . 3 DAL H . . . . . . . . . rr_6qyu 1
. 1 . 35 . 1 1 3 DAL HA H 5.665 8.146 7.551 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HA . . . . . . . . . rr_6qyu 1
. 1 . 36 . 1 1 3 DAL HB1 H 4.479 6.045 8.675 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HB1 . . . . . . . . . rr_6qyu 1
. 1 . 37 . 1 1 3 DAL HB2 H 3.957 5.787 7.023 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HB2 . . . . . . . . . rr_6qyu 1
. 1 . 38 . 1 1 3 DAL N N 6.694 6.390 7.804 . . . 1.0 . . . . . . . . . . . . A . 3 DAL N . . . . . . . . . rr_6qyu 1
. 1 . 39 . 1 1 3 DAL O O 5.073 7.928 5.010 . . . 1.0 . . . . . . . . . . . . A . 3 DAL O . . . . . . . . . rr_6qyu 1
. 1 . 40 . 1 1 4 LEU C C 5.726 5.057 3.060 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . rr_6qyu 1
. 1 . 41 . 1 1 4 LEU CA C 6.646 6.103 3.693 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . rr_6qyu 1
. 1 . 42 . 1 1 4 LEU CB C 8.095 5.774 3.347 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . rr_6qyu 1
. 1 . 43 . 1 1 4 LEU CD1 C 9.964 4.219 3.908 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . rr_6qyu 1
. 1 . 44 . 1 1 4 LEU CD2 C 9.097 5.805 5.633 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . rr_6qyu 1
. 1 . 45 . 1 1 4 LEU CG C 8.712 4.915 4.449 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . rr_6qyu 1
. 1 . 46 . 1 1 4 LEU H H 6.988 5.577 5.727 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . rr_6qyu 1
. 1 . 47 . 1 1 4 LEU HA H 6.406 7.067 3.269 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . rr_6qyu 1
. 1 . 48 . 1 1 4 LEU HB2 H 8.129 5.239 2.410 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . rr_6qyu 1
. 1 . 49 . 1 1 4 LEU HB3 H 8.652 6.690 3.259 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . rr_6qyu 1
. 1 . 50 . 1 1 4 LEU HD11 H 9.766 3.165 3.784 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . rr_6qyu 1
. 1 . 51 . 1 1 4 LEU HD12 H 10.780 4.354 4.603 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . rr_6qyu 1
. 1 . 52 . 1 1 4 LEU HD13 H 10.231 4.650 2.954 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . rr_6qyu 1
. 1 . 53 . 1 1 4 LEU HD21 H 8.694 6.796 5.485 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . rr_6qyu 1
. 1 . 54 . 1 1 4 LEU HD22 H 10.173 5.862 5.708 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . rr_6qyu 1
. 1 . 55 . 1 1 4 LEU HD23 H 8.695 5.387 6.544 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . rr_6qyu 1
. 1 . 56 . 1 1 4 LEU HG H 7.997 4.172 4.770 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . rr_6qyu 1
. 1 . 57 . 1 1 4 LEU N N 6.483 6.186 5.146 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . rr_6qyu 1
. 1 . 58 . 1 1 4 LEU O O 5.567 5.026 1.839 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . rr_6qyu 1
. 1 . 59 . 1 1 5 DHA C C 3.118 2.973 4.194 . . . 1.0 . . . . . . . . . . . . A . 5 DHA C . . . . . . . . . rr_6qyu 1
. 1 . 60 . 1 1 5 DHA CA C 4.260 3.220 3.344 . . . 1.0 . . . . . . . . . . . . A . 5 DHA CA . . . . . . . . . rr_6qyu 1
. 1 . 61 . 1 1 5 DHA CB C 4.347 2.567 2.215 . . . 1.0 . . . . . . . . . . . . A . 5 DHA CB . . . . . . . . . rr_6qyu 1
. 1 . 62 . 1 1 5 DHA H H 5.217 4.201 4.849 . . . 1.0 . . . . . . . . . . . . A . 5 DHA H . . . . . . . . . rr_6qyu 1
. 1 . 63 . 1 1 5 DHA HB1 H 5.156 2.745 1.591 . . . 1.0 . . . . . . . . . . . . A . 5 DHA HB1 . . . . . . . . . rr_6qyu 1
. 1 . 64 . 1 1 5 DHA HB2 H 3.596 1.840 1.939 . . . 1.0 . . . . . . . . . . . . A . 5 DHA HB2 . . . . . . . . . rr_6qyu 1
. 1 . 65 . 1 1 5 DHA N N 5.108 4.189 3.880 . . . 1.0 . . . . . . . . . . . . A . 5 DHA N . . . . . . . . . rr_6qyu 1
. 1 . 66 . 1 1 5 DHA O O 3.097 2.056 4.995 . . . 1.0 . . . . . . . . . . . . A . 5 DHA O . . . . . . . . . rr_6qyu 1
. 1 . 67 . 1 1 6 LEU C C 0.402 5.099 5.127 . . . 1.0 . . . . . . . . . . . . A . 6 LEU C . . . . . . . . . rr_6qyu 1
. 1 . 68 . 1 1 6 LEU CA C 0.866 3.711 4.727 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CA . . . . . . . . . rr_6qyu 1
. 1 . 69 . 1 1 6 LEU CB C 1.051 2.864 5.988 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CB . . . . . . . . . rr_6qyu 1
. 1 . 70 . 1 1 6 LEU CD1 C 1.621 4.140 8.063 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD1 . . . . . . . . . rr_6qyu 1
. 1 . 71 . 1 1 6 LEU CD2 C 3.148 2.304 7.326 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD2 . . . . . . . . . rr_6qyu 1
. 1 . 72 . 1 1 6 LEU CG C 2.206 3.424 6.844 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CG . . . . . . . . . rr_6qyu 1
. 1 . 73 . 1 1 6 LEU H H 2.193 4.508 3.284 . . . 1.0 . . . . . . . . . . . . A . 6 LEU H . . . . . . . . . rr_6qyu 1
. 1 . 74 . 1 1 6 LEU HA H 0.125 3.255 4.098 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HA . . . . . . . . . rr_6qyu 1
. 1 . 75 . 1 1 6 LEU HB2 H 0.139 2.894 6.564 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB2 . . . . . . . . . rr_6qyu 1
. 1 . 76 . 1 1 6 LEU HB3 H 1.259 1.852 5.698 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB3 . . . . . . . . . rr_6qyu 1
. 1 . 77 . 1 1 6 LEU HD11 H 1.136 3.419 8.705 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD11 . . . . . . . . . rr_6qyu 1
. 1 . 78 . 1 1 6 LEU HD12 H 0.897 4.874 7.736 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD12 . . . . . . . . . rr_6qyu 1
. 1 . 79 . 1 1 6 LEU HD13 H 2.412 4.634 8.608 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD13 . . . . . . . . . rr_6qyu 1
. 1 . 80 . 1 1 6 LEU HD21 H 3.254 2.360 8.396 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD21 . . . . . . . . . rr_6qyu 1
. 1 . 81 . 1 1 6 LEU HD22 H 4.120 2.434 6.866 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD22 . . . . . . . . . rr_6qyu 1
. 1 . 82 . 1 1 6 LEU HD23 H 2.753 1.339 7.052 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD23 . . . . . . . . . rr_6qyu 1
. 1 . 83 . 1 1 6 LEU HG H 2.769 4.130 6.260 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HG . . . . . . . . . rr_6qyu 1
. 1 . 84 . 1 1 6 LEU N N 2.111 3.815 3.976 . . . 1.0 . . . . . . . . . . . . A . 6 LEU N . . . . . . . . . rr_6qyu 1
. 1 . 85 . 1 1 6 LEU O O -0.753 5.477 4.938 . . . 1.0 . . . . . . . . . . . . A . 6 LEU O . . . . . . . . . rr_6qyu 1
. 1 . 86 . 1 1 7 CYS C C 0.251 7.961 5.105 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . rr_6qyu 1
. 1 . 87 . 1 1 7 CYS CA C 1.116 7.203 6.102 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . rr_6qyu 1
. 1 . 88 . 1 1 7 CYS CB C 2.482 7.852 6.219 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . rr_6qyu 1
. 1 . 89 . 1 1 7 CYS H H 2.236 5.466 5.766 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . rr_6qyu 1
. 1 . 90 . 1 1 7 CYS HA H 0.635 7.200 7.062 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . rr_6qyu 1
. 1 . 91 . 1 1 7 CYS HB2 H 3.165 7.280 5.614 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . rr_6qyu 1
. 1 . 92 . 1 1 7 CYS HB3 H 2.446 8.872 5.867 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . rr_6qyu 1
. 1 . 93 . 1 1 7 CYS N N 1.342 5.844 5.666 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . rr_6qyu 1
. 1 . 94 . 1 1 7 CYS O O -0.238 9.052 5.393 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . rr_6qyu 1
. 1 . 95 . 1 1 7 CYS SG S 3.046 7.816 7.932 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . rr_6qyu 1
. 1 . 96 . 1 1 8 ALA C C -1.788 8.914 3.500 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_6qyu 1
. 1 . 97 . 1 1 8 ALA CA C -0.742 7.981 2.895 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_6qyu 1
. 1 . 98 . 1 1 8 ALA CB C -1.435 6.886 2.095 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_6qyu 1
. 1 . 99 . 1 1 8 ALA H H 0.482 6.499 3.766 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_6qyu 1
. 1 . 100 . 1 1 8 ALA HA H -0.103 8.547 2.235 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_6qyu 1
. 1 . 101 . 1 1 8 ALA HB1 H -0.760 6.512 1.341 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_6qyu 1
. 1 . 102 . 1 1 8 ALA HB2 H -2.318 7.288 1.625 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_6qyu 1
. 1 . 103 . 1 1 8 ALA HB3 H -1.714 6.082 2.761 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_6qyu 1
. 1 . 104 . 1 1 8 ALA N N 0.068 7.369 3.934 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_6qyu 1
. 1 . 105 . 1 1 8 ALA O O -2.406 8.523 4.476 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_6qyu 1
. 1 . 106 . 1 1 8 ALA OXT O -1.954 10.003 2.977 . . . 1.0 . . . . . . . . . . . . A . 8 ALA OXT . . . . . . . . . rr_6qyu 1
. 2 . 107 . 1 1 1 PHE C C 9.824 4.337 6.996 . . . 1.0 . . . . . . . . . . . . A . 1 PHE C . . . . . . . . . rr_6qyu 1
. 2 . 108 . 1 1 1 PHE CA C 10.645 3.517 6.005 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CA . . . . . . . . . rr_6qyu 1
. 2 . 109 . 1 1 1 PHE CB C 11.901 2.973 6.690 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CB . . . . . . . . . rr_6qyu 1
. 2 . 110 . 1 1 1 PHE CD1 C 12.503 0.531 6.511 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CD1 . . . . . . . . . rr_6qyu 1
. 2 . 111 . 1 1 1 PHE CD2 C 12.848 1.962 4.584 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CD2 . . . . . . . . . rr_6qyu 1
. 2 . 112 . 1 1 1 PHE CE1 C 12.994 -0.563 5.787 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CE1 . . . . . . . . . rr_6qyu 1
. 2 . 113 . 1 1 1 PHE CE2 C 13.340 0.869 3.860 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CE2 . . . . . . . . . rr_6qyu 1
. 2 . 114 . 1 1 1 PHE CG C 12.430 1.793 5.909 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CG . . . . . . . . . rr_6qyu 1
. 2 . 115 . 1 1 1 PHE CZ C 13.412 -0.394 4.462 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CZ . . . . . . . . . rr_6qyu 1
. 2 . 116 . 1 1 1 PHE H1 H 10.271 5.041 4.635 . . . 1.0 . . . . . . . . . . . . A . 1 PHE H1 . . . . . . . . . rr_6qyu 1
. 2 . 117 . 1 1 1 PHE H2 H 11.243 3.786 4.029 . . . 1.0 . . . . . . . . . . . . A . 1 PHE H2 . . . . . . . . . rr_6qyu 1
. 2 . 118 . 1 1 1 PHE H3 H 11.896 4.923 5.110 . . . 1.0 . . . . . . . . . . . . A . 1 PHE H3 . . . . . . . . . rr_6qyu 1
. 2 . 119 . 1 1 1 PHE HA H 10.050 2.693 5.641 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HA . . . . . . . . . rr_6qyu 1
. 2 . 120 . 1 1 1 PHE HB2 H 12.654 3.746 6.729 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HB2 . . . . . . . . . rr_6qyu 1
. 2 . 121 . 1 1 1 PHE HB3 H 11.655 2.657 7.694 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HB3 . . . . . . . . . rr_6qyu 1
. 2 . 122 . 1 1 1 PHE HD1 H 12.180 0.399 7.533 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HD1 . . . . . . . . . rr_6qyu 1
. 2 . 123 . 1 1 1 PHE HD2 H 12.793 2.936 4.119 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HD2 . . . . . . . . . rr_6qyu 1
. 2 . 124 . 1 1 1 PHE HE1 H 13.050 -1.537 6.250 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HE1 . . . . . . . . . rr_6qyu 1
. 2 . 125 . 1 1 1 PHE HE2 H 13.662 0.998 2.838 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HE2 . . . . . . . . . rr_6qyu 1
. 2 . 126 . 1 1 1 PHE HZ H 13.791 -1.237 3.903 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HZ . . . . . . . . . rr_6qyu 1
. 2 . 127 . 1 1 1 PHE N N 11.044 4.383 4.858 . . . 1.0 . . . . . . . . . . . . A . 1 PHE N . . . . . . . . . rr_6qyu 1
. 2 . 128 . 1 1 1 PHE O O 10.220 5.435 7.387 . . . 1.0 . . . . . . . . . . . . A . 1 PHE O . . . . . . . . . rr_6qyu 1
. 2 . 129 . 1 1 2 DHA C C 6.722 5.116 7.646 . . . 1.0 . . . . . . . . . . . . A . 2 DHA C . . . . . . . . . rr_6qyu 1
. 2 . 130 . 1 1 2 DHA CA C 7.860 4.479 8.313 . . . 1.0 . . . . . . . . . . . . A . 2 DHA CA . . . . . . . . . rr_6qyu 1
. 2 . 131 . 1 1 2 DHA CB C 7.997 4.626 9.627 . . . 1.0 . . . . . . . . . . . . A . 2 DHA CB . . . . . . . . . rr_6qyu 1
. 2 . 132 . 1 1 2 DHA H H 8.346 2.921 7.102 . . . 1.0 . . . . . . . . . . . . A . 2 DHA H . . . . . . . . . rr_6qyu 1
. 2 . 133 . 1 1 2 DHA HB1 H 8.813 4.185 10.123 . . . 1.0 . . . . . . . . . . . . A . 2 DHA HB1 . . . . . . . . . rr_6qyu 1
. 2 . 134 . 1 1 2 DHA HB2 H 7.271 5.192 10.194 . . . 1.0 . . . . . . . . . . . . A . 2 DHA HB2 . . . . . . . . . rr_6qyu 1
. 2 . 135 . 1 1 2 DHA N N 8.665 3.795 7.409 . . . 1.0 . . . . . . . . . . . . A . 2 DHA N . . . . . . . . . rr_6qyu 1
. 2 . 136 . 1 1 2 DHA O O 5.859 4.479 7.042 . . . 1.0 . . . . . . . . . . . . A . 2 DHA O . . . . . . . . . rr_6qyu 1
. 2 . 137 . 1 1 3 DAL C C 5.679 7.106 5.660 . . . 1.0 . . . . . . . . . . . . A . 3 DAL C . . . . . . . . . rr_6qyu 1
. 2 . 138 . 1 1 3 DAL CA C 5.585 7.157 7.186 . . . 1.0 . . . . . . . . . . . . A . 3 DAL CA . . . . . . . . . rr_6qyu 1
. 2 . 139 . 1 1 3 DAL CB C 4.285 6.536 7.692 . . . 1.0 . . . . . . . . . . . . A . 3 DAL CB . . . . . . . . . rr_6qyu 1
. 2 . 140 . 1 1 3 DAL H H 7.366 6.938 8.276 . . . 1.0 . . . . . . . . . . . . A . 3 DAL H . . . . . . . . . rr_6qyu 1
. 2 . 141 . 1 1 3 DAL HA H 5.629 8.175 7.506 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HA . . . . . . . . . rr_6qyu 1
. 2 . 142 . 1 1 3 DAL HB1 H 4.473 6.038 8.632 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HB1 . . . . . . . . . rr_6qyu 1
. 2 . 143 . 1 1 3 DAL HB2 H 3.934 5.816 6.981 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HB2 . . . . . . . . . rr_6qyu 1
. 2 . 144 . 1 1 3 DAL N N 6.683 6.443 7.777 . . . 1.0 . . . . . . . . . . . . A . 3 DAL N . . . . . . . . . rr_6qyu 1
. 2 . 145 . 1 1 3 DAL O O 5.068 7.913 4.962 . . . 1.0 . . . . . . . . . . . . A . 3 DAL O . . . . . . . . . rr_6qyu 1
. 2 . 146 . 1 1 4 LEU C C 5.770 5.021 3.063 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . rr_6qyu 1
. 2 . 147 . 1 1 4 LEU CA C 6.692 6.064 3.708 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . rr_6qyu 1
. 2 . 148 . 1 1 4 LEU CB C 8.148 5.696 3.418 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . rr_6qyu 1
. 2 . 149 . 1 1 4 LEU CD1 C 10.157 6.299 2.062 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . rr_6qyu 1
. 2 . 150 . 1 1 4 LEU CD2 C 7.934 6.040 0.953 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . rr_6qyu 1
. 2 . 151 . 1 1 4 LEU CG C 8.651 6.507 2.223 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . rr_6qyu 1
. 2 . 152 . 1 1 4 LEU H H 6.988 5.591 5.760 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . rr_6qyu 1
. 2 . 153 . 1 1 4 LEU HA H 6.489 7.023 3.257 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . rr_6qyu 1
. 2 . 154 . 1 1 4 LEU HB2 H 8.753 5.916 4.286 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . rr_6qyu 1
. 2 . 155 . 1 1 4 LEU HB3 H 8.215 4.643 3.191 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . rr_6qyu 1
. 2 . 156 . 1 1 4 LEU HD11 H 10.347 5.293 1.723 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . rr_6qyu 1
. 2 . 157 . 1 1 4 LEU HD12 H 10.646 6.457 3.013 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . rr_6qyu 1
. 2 . 158 . 1 1 4 LEU HD13 H 10.542 7.002 1.339 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . rr_6qyu 1
. 2 . 159 . 1 1 4 LEU HD21 H 8.526 6.304 0.088 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . rr_6qyu 1
. 2 . 160 . 1 1 4 LEU HD22 H 6.968 6.518 0.887 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . rr_6qyu 1
. 2 . 161 . 1 1 4 LEU HD23 H 7.805 4.968 0.987 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . rr_6qyu 1
. 2 . 162 . 1 1 4 LEU HG H 8.447 7.556 2.389 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . rr_6qyu 1
. 2 . 163 . 1 1 4 LEU N N 6.491 6.181 5.152 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . rr_6qyu 1
. 2 . 164 . 1 1 4 LEU O O 5.651 4.977 1.839 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . rr_6qyu 1
. 2 . 165 . 1 1 5 DHA C C 3.112 2.956 4.150 . . . 1.0 . . . . . . . . . . . . A . 5 DHA C . . . . . . . . . rr_6qyu 1
. 2 . 166 . 1 1 5 DHA CA C 4.258 3.218 3.311 . . . 1.0 . . . . . . . . . . . . A . 5 DHA CA . . . . . . . . . rr_6qyu 1
. 2 . 167 . 1 1 5 DHA CB C 4.351 2.590 2.167 . . . 1.0 . . . . . . . . . . . . A . 5 DHA CB . . . . . . . . . rr_6qyu 1
. 2 . 168 . 1 1 5 DHA H H 5.177 4.190 4.848 . . . 1.0 . . . . . . . . . . . . A . 5 DHA H . . . . . . . . . rr_6qyu 1
. 2 . 169 . 1 1 5 DHA HB1 H 5.163 2.781 1.549 . . . 1.0 . . . . . . . . . . . . A . 5 DHA HB1 . . . . . . . . . rr_6qyu 1
. 2 . 170 . 1 1 5 DHA HB2 H 3.601 1.871 1.870 . . . 1.0 . . . . . . . . . . . . A . 5 DHA HB2 . . . . . . . . . rr_6qyu 1
. 2 . 171 . 1 1 5 DHA N N 5.104 4.174 3.872 . . . 1.0 . . . . . . . . . . . . A . 5 DHA N . . . . . . . . . rr_6qyu 1
. 2 . 172 . 1 1 5 DHA O O 3.062 1.995 4.900 . . . 1.0 . . . . . . . . . . . . A . 5 DHA O . . . . . . . . . rr_6qyu 1
. 2 . 173 . 1 1 6 LEU C C 0.401 5.107 5.123 . . . 1.0 . . . . . . . . . . . . A . 6 LEU C . . . . . . . . . rr_6qyu 1
. 2 . 174 . 1 1 6 LEU CA C 0.886 3.723 4.728 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CA . . . . . . . . . rr_6qyu 1
. 2 . 175 . 1 1 6 LEU CB C 1.085 2.878 5.988 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CB . . . . . . . . . rr_6qyu 1
. 2 . 176 . 1 1 6 LEU CD1 C 1.757 4.117 8.058 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD1 . . . . . . . . . rr_6qyu 1
. 2 . 177 . 1 1 6 LEU CD2 C 3.219 2.264 7.239 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD2 . . . . . . . . . rr_6qyu 1
. 2 . 178 . 1 1 6 LEU CG C 2.280 3.408 6.807 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CG . . . . . . . . . rr_6qyu 1
. 2 . 179 . 1 1 6 LEU H H 2.230 4.565 3.329 . . . 1.0 . . . . . . . . . . . . A . 6 LEU H . . . . . . . . . rr_6qyu 1
. 2 . 180 . 1 1 6 LEU HA H 0.152 3.255 4.099 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HA . . . . . . . . . rr_6qyu 1
. 2 . 181 . 1 1 6 LEU HB2 H 0.190 2.936 6.591 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB2 . . . . . . . . . rr_6qyu 1
. 2 . 182 . 1 1 6 LEU HB3 H 1.256 1.861 5.695 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB3 . . . . . . . . . rr_6qyu 1
. 2 . 183 . 1 1 6 LEU HD11 H 2.536 4.739 8.471 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD11 . . . . . . . . . rr_6qyu 1
. 2 . 184 . 1 1 6 LEU HD12 H 1.457 3.381 8.790 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD12 . . . . . . . . . rr_6qyu 1
. 2 . 185 . 1 1 6 LEU HD13 H 0.907 4.730 7.795 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD13 . . . . . . . . . rr_6qyu 1
. 2 . 186 . 1 1 6 LEU HD21 H 2.787 1.310 6.986 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD21 . . . . . . . . . rr_6qyu 1
. 2 . 187 . 1 1 6 LEU HD22 H 3.379 2.313 8.303 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD22 . . . . . . . . . rr_6qyu 1
. 2 . 188 . 1 1 6 LEU HD23 H 4.169 2.373 6.732 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD23 . . . . . . . . . rr_6qyu 1
. 2 . 189 . 1 1 6 LEU HG H 2.833 4.113 6.214 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HG . . . . . . . . . rr_6qyu 1
. 2 . 190 . 1 1 6 LEU N N 2.130 3.837 3.981 . . . 1.0 . . . . . . . . . . . . A . 6 LEU N . . . . . . . . . rr_6qyu 1
. 2 . 191 . 1 1 6 LEU O O -0.747 5.485 4.892 . . . 1.0 . . . . . . . . . . . . A . 6 LEU O . . . . . . . . . rr_6qyu 1
. 2 . 192 . 1 1 7 CYS C C 0.178 7.953 5.173 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . rr_6qyu 1
. 2 . 193 . 1 1 7 CYS CA C 1.074 7.206 6.150 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . rr_6qyu 1
. 2 . 194 . 1 1 7 CYS CB C 2.431 7.883 6.243 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . rr_6qyu 1
. 2 . 195 . 1 1 7 CYS H H 2.206 5.471 5.839 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . rr_6qyu 1
. 2 . 196 . 1 1 7 CYS HA H 0.617 7.197 7.120 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . rr_6qyu 1
. 2 . 197 . 1 1 7 CYS HB2 H 3.114 7.340 5.610 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . rr_6qyu 1
. 2 . 198 . 1 1 7 CYS HB3 H 2.364 8.908 5.914 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . rr_6qyu 1
. 2 . 199 . 1 1 7 CYS N N 1.317 5.849 5.708 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . rr_6qyu 1
. 2 . 200 . 1 1 7 CYS O O -0.490 8.920 5.540 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . rr_6qyu 1
. 2 . 201 . 1 1 7 CYS SG S 3.035 7.825 7.942 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . rr_6qyu 1
. 2 . 202 . 1 1 8 ALA C C -1.134 7.109 1.892 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_6qyu 1
. 2 . 203 . 1 1 8 ALA CA C -0.639 8.138 2.902 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_6qyu 1
. 2 . 204 . 1 1 8 ALA CB C 0.185 9.211 2.191 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_6qyu 1
. 2 . 205 . 1 1 8 ALA H H 0.730 6.731 3.696 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_6qyu 1
. 2 . 206 . 1 1 8 ALA HA H -1.490 8.609 3.371 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_6qyu 1
. 2 . 207 . 1 1 8 ALA HB1 H -0.463 9.811 1.573 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_6qyu 1
. 2 . 208 . 1 1 8 ALA HB2 H 0.935 8.736 1.576 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_6qyu 1
. 2 . 209 . 1 1 8 ALA HB3 H 0.666 9.838 2.927 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_6qyu 1
. 2 . 210 . 1 1 8 ALA N N 0.174 7.503 3.928 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_6qyu 1
. 2 . 211 . 1 1 8 ALA O O -0.596 6.015 1.879 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_6qyu 1
. 2 . 212 . 1 1 8 ALA OXT O -2.045 7.430 1.146 . . . 1.0 . . . . . . . . . . . . A . 8 ALA OXT . . . . . . . . . rr_6qyu 1
. 3 . 213 . 1 1 1 PHE C C 9.701 3.926 7.380 . . . 1.0 . . . . . . . . . . . . A . 1 PHE C . . . . . . . . . rr_6qyu 1
. 3 . 214 . 1 1 1 PHE CA C 10.415 2.951 6.452 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CA . . . . . . . . . rr_6qyu 1
. 3 . 215 . 1 1 1 PHE CB C 11.581 3.653 5.754 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CB . . . . . . . . . rr_6qyu 1
. 3 . 216 . 1 1 1 PHE CD1 C 12.753 5.345 7.210 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CD1 . . . . . . . . . rr_6qyu 1
. 3 . 217 . 1 1 1 PHE CD2 C 13.483 3.034 7.288 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CD2 . . . . . . . . . rr_6qyu 1
. 3 . 218 . 1 1 1 PHE CE1 C 13.726 5.685 8.157 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CE1 . . . . . . . . . rr_6qyu 1
. 3 . 219 . 1 1 1 PHE CE2 C 14.457 3.374 8.236 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CE2 . . . . . . . . . rr_6qyu 1
. 3 . 220 . 1 1 1 PHE CG C 12.631 4.021 6.775 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CG . . . . . . . . . rr_6qyu 1
. 3 . 221 . 1 1 1 PHE CZ C 14.578 4.699 8.670 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CZ . . . . . . . . . rr_6qyu 1
. 3 . 222 . 1 1 1 PHE H1 H 8.507 2.821 5.630 . . . 1.0 . . . . . . . . . . . . A . 1 PHE H1 . . . . . . . . . rr_6qyu 1
. 3 . 223 . 1 1 1 PHE H2 H 9.434 1.408 5.455 . . . 1.0 . . . . . . . . . . . . A . 1 PHE H2 . . . . . . . . . rr_6qyu 1
. 3 . 224 . 1 1 1 PHE H3 H 9.758 2.765 4.485 . . . 1.0 . . . . . . . . . . . . A . 1 PHE H3 . . . . . . . . . rr_6qyu 1
. 3 . 225 . 1 1 1 PHE HA H 10.792 2.119 7.029 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HA . . . . . . . . . rr_6qyu 1
. 3 . 226 . 1 1 1 PHE HB2 H 12.012 2.992 5.016 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HB2 . . . . . . . . . rr_6qyu 1
. 3 . 227 . 1 1 1 PHE HB3 H 11.224 4.550 5.270 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HB3 . . . . . . . . . rr_6qyu 1
. 3 . 228 . 1 1 1 PHE HD1 H 12.095 6.106 6.815 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HD1 . . . . . . . . . rr_6qyu 1
. 3 . 229 . 1 1 1 PHE HD2 H 13.390 2.013 6.953 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HD2 . . . . . . . . . rr_6qyu 1
. 3 . 230 . 1 1 1 PHE HE1 H 13.819 6.708 8.493 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HE1 . . . . . . . . . rr_6qyu 1
. 3 . 231 . 1 1 1 PHE HE2 H 15.114 2.614 8.631 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HE2 . . . . . . . . . rr_6qyu 1
. 3 . 232 . 1 1 1 PHE HZ H 15.330 4.962 9.401 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HZ . . . . . . . . . rr_6qyu 1
. 3 . 233 . 1 1 1 PHE N N 9.456 2.448 5.428 . . . 1.0 . . . . . . . . . . . . A . 1 PHE N . . . . . . . . . rr_6qyu 1
. 3 . 234 . 1 1 1 PHE O O 10.284 4.915 7.826 . . . 1.0 . . . . . . . . . . . . A . 1 PHE O . . . . . . . . . rr_6qyu 1
. 3 . 235 . 1 1 2 DHA C C 6.584 5.124 7.830 . . . 1.0 . . . . . . . . . . . . A . 2 DHA C . . . . . . . . . rr_6qyu 1
. 3 . 236 . 1 1 2 DHA CA C 7.705 4.487 8.523 . . . 1.0 . . . . . . . . . . . . A . 2 DHA CA . . . . . . . . . rr_6qyu 1
. 3 . 237 . 1 1 2 DHA CB C 7.909 4.773 9.803 . . . 1.0 . . . . . . . . . . . . A . 2 DHA CB . . . . . . . . . rr_6qyu 1
. 3 . 238 . 1 1 2 DHA H H 7.952 2.859 7.331 . . . 1.0 . . . . . . . . . . . . A . 2 DHA H . . . . . . . . . rr_6qyu 1
. 3 . 239 . 1 1 2 DHA HB1 H 8.713 4.333 10.318 . . . 1.0 . . . . . . . . . . . . A . 2 DHA HB1 . . . . . . . . . rr_6qyu 1
. 3 . 240 . 1 1 2 DHA HB2 H 7.250 5.453 10.324 . . . 1.0 . . . . . . . . . . . . A . 2 DHA HB2 . . . . . . . . . rr_6qyu 1
. 3 . 241 . 1 1 2 DHA N N 8.421 3.646 7.680 . . . 1.0 . . . . . . . . . . . . A . 2 DHA N . . . . . . . . . rr_6qyu 1
. 3 . 242 . 1 1 2 DHA O O 5.644 4.487 7.354 . . . 1.0 . . . . . . . . . . . . A . 2 DHA O . . . . . . . . . rr_6qyu 1
. 3 . 243 . 1 1 3 DAL C C 5.681 7.095 5.642 . . . 1.0 . . . . . . . . . . . . A . 3 DAL C . . . . . . . . . rr_6qyu 1
. 3 . 244 . 1 1 3 DAL CA C 5.567 7.169 7.166 . . . 1.0 . . . . . . . . . . . . A . 3 DAL CA . . . . . . . . . rr_6qyu 1
. 3 . 245 . 1 1 3 DAL CB C 4.261 6.562 7.664 . . . 1.0 . . . . . . . . . . . . A . 3 DAL CB . . . . . . . . . rr_6qyu 1
. 3 . 246 . 1 1 3 DAL H H 7.387 6.957 8.194 . . . 1.0 . . . . . . . . . . . . A . 3 DAL H . . . . . . . . . rr_6qyu 1
. 3 . 247 . 1 1 3 DAL HA H 5.608 8.193 7.471 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HA . . . . . . . . . rr_6qyu 1
. 3 . 248 . 1 1 3 DAL HB1 H 4.441 6.058 8.602 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HB1 . . . . . . . . . rr_6qyu 1
. 3 . 249 . 1 1 3 DAL HB2 H 3.906 5.850 6.949 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HB2 . . . . . . . . . rr_6qyu 1
. 3 . 250 . 1 1 3 DAL N N 6.647 6.455 7.790 . . . 1.0 . . . . . . . . . . . . A . 3 DAL N . . . . . . . . . rr_6qyu 1
. 3 . 251 . 1 1 3 DAL O O 5.068 7.884 4.925 . . . 1.0 . . . . . . . . . . . . A . 3 DAL O . . . . . . . . . rr_6qyu 1
. 3 . 252 . 1 1 4 LEU C C 5.795 5.010 3.063 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . rr_6qyu 1
. 3 . 253 . 1 1 4 LEU CA C 6.726 6.037 3.713 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . rr_6qyu 1
. 3 . 254 . 1 1 4 LEU CB C 8.179 5.637 3.448 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . rr_6qyu 1
. 3 . 255 . 1 1 4 LEU CD1 C 9.498 6.945 1.774 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . rr_6qyu 1
. 3 . 256 . 1 1 4 LEU CD2 C 9.093 4.508 1.412 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . rr_6qyu 1
. 3 . 257 . 1 1 4 LEU CG C 8.493 5.806 1.959 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . rr_6qyu 1
. 3 . 258 . 1 1 4 LEU H H 7.003 5.594 5.776 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . rr_6qyu 1
. 3 . 259 . 1 1 4 LEU HA H 6.549 6.995 3.251 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . rr_6qyu 1
. 3 . 260 . 1 1 4 LEU HB2 H 8.837 6.264 4.031 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . rr_6qyu 1
. 3 . 261 . 1 1 4 LEU HB3 H 8.323 4.604 3.728 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . rr_6qyu 1
. 3 . 262 . 1 1 4 LEU HD11 H 9.458 7.299 0.755 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . rr_6qyu 1
. 3 . 263 . 1 1 4 LEU HD12 H 10.493 6.586 1.993 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . rr_6qyu 1
. 3 . 264 . 1 1 4 LEU HD13 H 9.252 7.754 2.446 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . rr_6qyu 1
. 3 . 265 . 1 1 4 LEU HD21 H 9.924 4.206 2.033 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . rr_6qyu 1
. 3 . 266 . 1 1 4 LEU HD22 H 9.439 4.669 0.402 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . rr_6qyu 1
. 3 . 267 . 1 1 4 LEU HD23 H 8.341 3.733 1.416 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . rr_6qyu 1
. 3 . 268 . 1 1 4 LEU HG H 7.584 6.038 1.422 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . rr_6qyu 1
. 3 . 269 . 1 1 4 LEU N N 6.508 6.171 5.155 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . rr_6qyu 1
. 3 . 270 . 1 1 4 LEU O O 5.689 4.963 1.838 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . rr_6qyu 1
. 3 . 271 . 1 1 5 DHA C C 3.114 2.964 4.139 . . . 1.0 . . . . . . . . . . . . A . 5 DHA C . . . . . . . . . rr_6qyu 1
. 3 . 272 . 1 1 5 DHA CA C 4.256 3.233 3.296 . . . 1.0 . . . . . . . . . . . . A . 5 DHA CA . . . . . . . . . rr_6qyu 1
. 3 . 273 . 1 1 5 DHA CB C 4.339 2.624 2.141 . . . 1.0 . . . . . . . . . . . . A . 5 DHA CB . . . . . . . . . rr_6qyu 1
. 3 . 274 . 1 1 5 DHA H H 5.173 4.193 4.843 . . . 1.0 . . . . . . . . . . . . A . 5 DHA H . . . . . . . . . rr_6qyu 1
. 3 . 275 . 1 1 5 DHA HB1 H 5.147 2.822 1.521 . . . 1.0 . . . . . . . . . . . . A . 5 DHA HB1 . . . . . . . . . rr_6qyu 1
. 3 . 276 . 1 1 5 DHA HB2 H 3.584 1.913 1.839 . . . 1.0 . . . . . . . . . . . . A . 5 DHA HB2 . . . . . . . . . rr_6qyu 1
. 3 . 277 . 1 1 5 DHA N N 5.111 4.176 3.866 . . . 1.0 . . . . . . . . . . . . A . 5 DHA N . . . . . . . . . rr_6qyu 1
. 3 . 278 . 1 1 5 DHA O O 3.066 1.994 4.877 . . . 1.0 . . . . . . . . . . . . A . 5 DHA O . . . . . . . . . rr_6qyu 1
. 3 . 279 . 1 1 6 LEU C C 0.398 5.103 5.141 . . . 1.0 . . . . . . . . . . . . A . 6 LEU C . . . . . . . . . rr_6qyu 1
. 3 . 280 . 1 1 6 LEU CA C 0.890 3.726 4.734 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CA . . . . . . . . . rr_6qyu 1
. 3 . 281 . 1 1 6 LEU CB C 1.097 2.876 5.988 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CB . . . . . . . . . rr_6qyu 1
. 3 . 282 . 1 1 6 LEU CD1 C 1.766 4.094 8.069 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD1 . . . . . . . . . rr_6qyu 1
. 3 . 283 . 1 1 6 LEU CD2 C 3.246 2.270 7.218 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD2 . . . . . . . . . rr_6qyu 1
. 3 . 284 . 1 1 6 LEU CG C 2.291 3.407 6.807 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CG . . . . . . . . . rr_6qyu 1
. 3 . 285 . 1 1 6 LEU H H 2.233 4.584 3.338 . . . 1.0 . . . . . . . . . . . . A . 6 LEU H . . . . . . . . . rr_6qyu 1
. 3 . 286 . 1 1 6 LEU HA H 0.157 3.257 4.106 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HA . . . . . . . . . rr_6qyu 1
. 3 . 287 . 1 1 6 LEU HB2 H 0.204 2.926 6.593 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB2 . . . . . . . . . rr_6qyu 1
. 3 . 288 . 1 1 6 LEU HB3 H 1.273 1.861 5.690 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB3 . . . . . . . . . rr_6qyu 1
. 3 . 289 . 1 1 6 LEU HD11 H 1.136 3.408 8.616 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD11 . . . . . . . . . rr_6qyu 1
. 3 . 290 . 1 1 6 LEU HD12 H 1.193 4.967 7.794 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD12 . . . . . . . . . rr_6qyu 1
. 3 . 291 . 1 1 6 LEU HD13 H 2.598 4.391 8.691 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD13 . . . . . . . . . rr_6qyu 1
. 3 . 292 . 1 1 6 LEU HD21 H 3.422 2.316 8.280 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD21 . . . . . . . . . rr_6qyu 1
. 3 . 293 . 1 1 6 LEU HD22 H 4.187 2.388 6.697 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD22 . . . . . . . . . rr_6qyu 1
. 3 . 294 . 1 1 6 LEU HD23 H 2.817 1.312 6.967 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD23 . . . . . . . . . rr_6qyu 1
. 3 . 295 . 1 1 6 LEU HG H 2.833 4.125 6.217 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HG . . . . . . . . . rr_6qyu 1
. 3 . 296 . 1 1 6 LEU N N 2.133 3.849 3.983 . . . 1.0 . . . . . . . . . . . . A . 6 LEU N . . . . . . . . . rr_6qyu 1
. 3 . 297 . 1 1 6 LEU O O -0.758 5.468 4.928 . . . 1.0 . . . . . . . . . . . . A . 6 LEU O . . . . . . . . . rr_6qyu 1
. 3 . 298 . 1 1 7 CYS C C 0.112 7.931 5.225 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . rr_6qyu 1
. 3 . 299 . 1 1 7 CYS CA C 1.055 7.202 6.172 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . rr_6qyu 1
. 3 . 300 . 1 1 7 CYS CB C 2.400 7.906 6.230 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . rr_6qyu 1
. 3 . 301 . 1 1 7 CYS H H 2.206 5.485 5.839 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . rr_6qyu 1
. 3 . 302 . 1 1 7 CYS HA H 0.627 7.179 7.154 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . rr_6qyu 1
. 3 . 303 . 1 1 7 CYS HB2 H 3.082 7.371 5.587 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . rr_6qyu 1
. 3 . 304 . 1 1 7 CYS HB3 H 2.308 8.927 5.897 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . rr_6qyu 1
. 3 . 305 . 1 1 7 CYS N N 1.312 5.852 5.720 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . rr_6qyu 1
. 3 . 306 . 1 1 7 CYS O O -0.832 8.594 5.654 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . rr_6qyu 1
. 3 . 307 . 1 1 7 CYS SG S 3.032 7.868 7.918 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . rr_6qyu 1
. 3 . 308 . 1 1 8 ALA C C -0.517 7.587 1.666 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_6qyu 1
. 3 . 309 . 1 1 8 ALA CA C -0.445 8.445 2.924 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_6qyu 1
. 3 . 310 . 1 1 8 ALA CB C 0.138 9.815 2.578 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_6qyu 1
. 3 . 311 . 1 1 8 ALA H H 1.146 7.257 3.665 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_6qyu 1
. 3 . 312 . 1 1 8 ALA HA H -1.441 8.580 3.316 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_6qyu 1
. 3 . 313 . 1 1 8 ALA HB1 H -0.608 10.405 2.066 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_6qyu 1
. 3 . 314 . 1 1 8 ALA HB2 H 0.999 9.689 1.937 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_6qyu 1
. 3 . 315 . 1 1 8 ALA HB3 H 0.435 10.321 3.485 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_6qyu 1
. 3 . 316 . 1 1 8 ALA N N 0.380 7.800 3.938 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_6qyu 1
. 3 . 317 . 1 1 8 ALA O O 0.346 7.740 0.819 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_6qyu 1
. 3 . 318 . 1 1 8 ALA OXT O -1.433 6.787 1.571 . . . 1.0 . . . . . . . . . . . . A . 8 ALA OXT . . . . . . . . . rr_6qyu 1
. 4 . 319 . 1 1 1 PHE C C 9.149 2.570 7.729 . . . 1.0 . . . . . . . . . . . . A . 1 PHE C . . . . . . . . . rr_6qyu 1
. 4 . 320 . 1 1 1 PHE CA C 10.060 1.918 6.695 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CA . . . . . . . . . rr_6qyu 1
. 4 . 321 . 1 1 1 PHE CB C 10.630 0.612 7.253 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CB . . . . . . . . . rr_6qyu 1
. 4 . 322 . 1 1 1 PHE CD1 C 12.774 1.490 8.243 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CD1 . . . . . . . . . rr_6qyu 1
. 4 . 323 . 1 1 1 PHE CD2 C 11.071 0.622 9.735 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CD2 . . . . . . . . . rr_6qyu 1
. 4 . 324 . 1 1 1 PHE CE1 C 13.594 1.771 9.343 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CE1 . . . . . . . . . rr_6qyu 1
. 4 . 325 . 1 1 1 PHE CE2 C 11.890 0.904 10.834 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CE2 . . . . . . . . . rr_6qyu 1
. 4 . 326 . 1 1 1 PHE CG C 11.513 0.914 8.439 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CG . . . . . . . . . rr_6qyu 1
. 4 . 327 . 1 1 1 PHE CZ C 13.151 1.479 10.638 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CZ . . . . . . . . . rr_6qyu 1
. 4 . 328 . 1 1 1 PHE H1 H 11.952 2.313 5.920 . . . 1.0 . . . . . . . . . . . . A . 1 PHE H1 . . . . . . . . . rr_6qyu 1
. 4 . 329 . 1 1 1 PHE H2 H 11.528 3.290 7.243 . . . 1.0 . . . . . . . . . . . . A . 1 PHE H2 . . . . . . . . . rr_6qyu 1
. 4 . 330 . 1 1 1 PHE H3 H 10.844 3.581 5.717 . . . 1.0 . . . . . . . . . . . . A . 1 PHE H3 . . . . . . . . . rr_6qyu 1
. 4 . 331 . 1 1 1 PHE HA H 9.496 1.710 5.798 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HA . . . . . . . . . rr_6qyu 1
. 4 . 332 . 1 1 1 PHE HB2 H 9.818 -0.031 7.561 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HB2 . . . . . . . . . rr_6qyu 1
. 4 . 333 . 1 1 1 PHE HB3 H 11.212 0.117 6.489 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HB3 . . . . . . . . . rr_6qyu 1
. 4 . 334 . 1 1 1 PHE HD1 H 13.115 1.716 7.244 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HD1 . . . . . . . . . rr_6qyu 1
. 4 . 335 . 1 1 1 PHE HD2 H 10.097 0.178 9.886 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HD2 . . . . . . . . . rr_6qyu 1
. 4 . 336 . 1 1 1 PHE HE1 H 14.566 2.215 9.192 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HE1 . . . . . . . . . rr_6qyu 1
. 4 . 337 . 1 1 1 PHE HE2 H 11.549 0.678 11.834 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HE2 . . . . . . . . . rr_6qyu 1
. 4 . 338 . 1 1 1 PHE HZ H 13.783 1.697 11.487 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HZ . . . . . . . . . rr_6qyu 1
. 4 . 339 . 1 1 1 PHE N N 11.181 2.845 6.369 . . . 1.0 . . . . . . . . . . . . A . 1 PHE N . . . . . . . . . rr_6qyu 1
. 4 . 340 . 1 1 1 PHE O O 8.857 1.985 8.772 . . . 1.0 . . . . . . . . . . . . A . 1 PHE O . . . . . . . . . rr_6qyu 1
. 4 . 341 . 1 1 2 DHA C C 6.728 5.097 7.652 . . . 1.0 . . . . . . . . . . . . A . 2 DHA C . . . . . . . . . rr_6qyu 1
. 4 . 342 . 1 1 2 DHA CA C 7.857 4.460 8.332 . . . 1.0 . . . . . . . . . . . . A . 2 DHA CA . . . . . . . . . rr_6qyu 1
. 4 . 343 . 1 1 2 DHA CB C 7.962 4.586 9.652 . . . 1.0 . . . . . . . . . . . . A . 2 DHA CB . . . . . . . . . rr_6qyu 1
. 4 . 344 . 1 1 2 DHA H H 8.921 4.275 6.611 . . . 1.0 . . . . . . . . . . . . A . 2 DHA H . . . . . . . . . rr_6qyu 1
. 4 . 345 . 1 1 2 DHA HB1 H 8.773 4.145 10.159 . . . 1.0 . . . . . . . . . . . . A . 2 DHA HB1 . . . . . . . . . rr_6qyu 1
. 4 . 346 . 1 1 2 DHA HB2 H 7.218 5.134 10.211 . . . 1.0 . . . . . . . . . . . . A . 2 DHA HB2 . . . . . . . . . rr_6qyu 1
. 4 . 347 . 1 1 2 DHA N N 8.693 3.802 7.438 . . . 1.0 . . . . . . . . . . . . A . 2 DHA N . . . . . . . . . rr_6qyu 1
. 4 . 348 . 1 1 2 DHA O O 5.876 4.462 7.029 . . . 1.0 . . . . . . . . . . . . A . 2 DHA O . . . . . . . . . rr_6qyu 1
. 4 . 349 . 1 1 3 DAL C C 5.686 7.106 5.674 . . . 1.0 . . . . . . . . . . . . A . 3 DAL C . . . . . . . . . rr_6qyu 1
. 4 . 350 . 1 1 3 DAL CA C 5.588 7.142 7.200 . . . 1.0 . . . . . . . . . . . . A . 3 DAL CA . . . . . . . . . rr_6qyu 1
. 4 . 351 . 1 1 3 DAL CB C 4.284 6.519 7.693 . . . 1.0 . . . . . . . . . . . . A . 3 DAL CB . . . . . . . . . rr_6qyu 1
. 4 . 352 . 1 1 3 DAL H H 7.351 6.914 8.315 . . . 1.0 . . . . . . . . . . . . A . 3 DAL H . . . . . . . . . rr_6qyu 1
. 4 . 353 . 1 1 3 DAL HA H 5.629 8.157 7.529 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HA . . . . . . . . . rr_6qyu 1
. 4 . 354 . 1 1 3 DAL HB1 H 4.466 6.016 8.633 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HB1 . . . . . . . . . rr_6qyu 1
. 4 . 355 . 1 1 3 DAL HB2 H 3.939 5.804 6.975 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HB2 . . . . . . . . . rr_6qyu 1
. 4 . 356 . 1 1 3 DAL N N 6.679 6.423 7.797 . . . 1.0 . . . . . . . . . . . . A . 3 DAL N . . . . . . . . . rr_6qyu 1
. 4 . 357 . 1 1 3 DAL O O 5.087 7.929 4.982 . . . 1.0 . . . . . . . . . . . . A . 3 DAL O . . . . . . . . . rr_6qyu 1
. 4 . 358 . 1 1 4 LEU C C 5.750 5.044 3.062 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . rr_6qyu 1
. 4 . 359 . 1 1 4 LEU CA C 6.681 6.078 3.706 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . rr_6qyu 1
. 4 . 360 . 1 1 4 LEU CB C 8.148 5.715 3.421 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . rr_6qyu 1
. 4 . 361 . 1 1 4 LEU CD1 C 7.988 4.475 1.232 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . rr_6qyu 1
. 4 . 362 . 1 1 4 LEU CD2 C 7.783 6.969 1.256 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . rr_6qyu 1
. 4 . 363 . 1 1 4 LEU CG C 8.463 5.763 1.912 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . rr_6qyu 1
. 4 . 364 . 1 1 4 LEU H H 6.974 5.573 5.753 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . rr_6qyu 1
. 4 . 365 . 1 1 4 LEU HA H 6.471 7.040 3.276 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . rr_6qyu 1
. 4 . 366 . 1 1 4 LEU HB2 H 8.790 6.414 3.936 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . rr_6qyu 1
. 4 . 367 . 1 1 4 LEU HB3 H 8.343 4.719 3.791 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . rr_6qyu 1
. 4 . 368 . 1 1 4 LEU HD11 H 7.531 3.825 1.963 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . rr_6qyu 1
. 4 . 369 . 1 1 4 LEU HD12 H 8.834 3.973 0.787 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . rr_6qyu 1
. 4 . 370 . 1 1 4 LEU HD13 H 7.270 4.716 0.463 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . rr_6qyu 1
. 4 . 371 . 1 1 4 LEU HD21 H 7.920 7.843 1.875 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . rr_6qyu 1
. 4 . 372 . 1 1 4 LEU HD22 H 6.728 6.771 1.136 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . rr_6qyu 1
. 4 . 373 . 1 1 4 LEU HD23 H 8.226 7.144 0.287 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . rr_6qyu 1
. 4 . 374 . 1 1 4 LEU HG H 9.533 5.848 1.785 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . rr_6qyu 1
. 4 . 375 . 1 1 4 LEU N N 6.484 6.177 5.153 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . rr_6qyu 1
. 4 . 376 . 1 1 4 LEU O O 5.598 5.023 1.841 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . rr_6qyu 1
. 4 . 377 . 1 1 5 DHA C C 3.117 2.965 4.162 . . . 1.0 . . . . . . . . . . . . A . 5 DHA C . . . . . . . . . rr_6qyu 1
. 4 . 378 . 1 1 5 DHA CA C 4.253 3.227 3.310 . . . 1.0 . . . . . . . . . . . . A . 5 DHA CA . . . . . . . . . rr_6qyu 1
. 4 . 379 . 1 1 5 DHA CB C 4.331 2.605 2.161 . . . 1.0 . . . . . . . . . . . . A . 5 DHA CB . . . . . . . . . rr_6qyu 1
. 4 . 380 . 1 1 5 DHA H H 5.203 4.175 4.841 . . . 1.0 . . . . . . . . . . . . A . 5 DHA H . . . . . . . . . rr_6qyu 1
. 4 . 381 . 1 1 5 DHA HB1 H 5.136 2.798 1.535 . . . 1.0 . . . . . . . . . . . . A . 5 DHA HB1 . . . . . . . . . rr_6qyu 1
. 4 . 382 . 1 1 5 DHA HB2 H 3.575 1.891 1.869 . . . 1.0 . . . . . . . . . . . . A . 5 DHA HB2 . . . . . . . . . rr_6qyu 1
. 4 . 383 . 1 1 5 DHA N N 5.109 4.176 3.868 . . . 1.0 . . . . . . . . . . . . A . 5 DHA N . . . . . . . . . rr_6qyu 1
. 4 . 384 . 1 1 5 DHA O O 3.092 2.020 4.932 . . . 1.0 . . . . . . . . . . . . A . 5 DHA O . . . . . . . . . rr_6qyu 1
. 4 . 385 . 1 1 6 LEU C C 0.399 5.091 5.152 . . . 1.0 . . . . . . . . . . . . A . 6 LEU C . . . . . . . . . rr_6qyu 1
. 4 . 386 . 1 1 6 LEU CA C 0.882 3.709 4.745 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CA . . . . . . . . . rr_6qyu 1
. 4 . 387 . 1 1 6 LEU CB C 1.094 2.865 6.003 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CB . . . . . . . . . rr_6qyu 1
. 4 . 388 . 1 1 6 LEU CD1 C 1.736 4.125 8.068 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD1 . . . . . . . . . rr_6qyu 1
. 4 . 389 . 1 1 6 LEU CD2 C 3.235 2.294 7.265 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD2 . . . . . . . . . rr_6qyu 1
. 4 . 390 . 1 1 6 LEU CG C 2.276 3.419 6.824 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CG . . . . . . . . . rr_6qyu 1
. 4 . 391 . 1 1 6 LEU H H 2.203 4.543 3.314 . . . 1.0 . . . . . . . . . . . . A . 6 LEU H . . . . . . . . . rr_6qyu 1
. 4 . 392 . 1 1 6 LEU HA H 0.142 3.241 4.125 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HA . . . . . . . . . rr_6qyu 1
. 4 . 393 . 1 1 6 LEU HB2 H 0.198 2.904 6.604 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB2 . . . . . . . . . rr_6qyu 1
. 4 . 394 . 1 1 6 LEU HB3 H 1.287 1.853 5.709 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB3 . . . . . . . . . rr_6qyu 1
. 4 . 395 . 1 1 6 LEU HD11 H 1.037 3.477 8.575 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD11 . . . . . . . . . rr_6qyu 1
. 4 . 396 . 1 1 6 LEU HD12 H 1.235 5.036 7.776 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD12 . . . . . . . . . rr_6qyu 1
. 4 . 397 . 1 1 6 LEU HD13 H 2.555 4.362 8.732 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD13 . . . . . . . . . rr_6qyu 1
. 4 . 398 . 1 1 6 LEU HD21 H 2.824 1.331 7.010 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD21 . . . . . . . . . rr_6qyu 1
. 4 . 399 . 1 1 6 LEU HD22 H 3.385 2.348 8.330 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD22 . . . . . . . . . rr_6qyu 1
. 4 . 400 . 1 1 6 LEU HD23 H 4.187 2.421 6.765 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD23 . . . . . . . . . rr_6qyu 1
. 4 . 401 . 1 1 6 LEU HG H 2.819 4.130 6.227 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HG . . . . . . . . . rr_6qyu 1
. 4 . 402 . 1 1 6 LEU N N 2.120 3.827 3.983 . . . 1.0 . . . . . . . . . . . . A . 6 LEU N . . . . . . . . . rr_6qyu 1
. 4 . 403 . 1 1 6 LEU O O -0.767 5.445 4.987 . . . 1.0 . . . . . . . . . . . . A . 6 LEU O . . . . . . . . . rr_6qyu 1
. 4 . 404 . 1 1 7 CYS C C 0.209 7.970 5.138 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . rr_6qyu 1
. 4 . 405 . 1 1 7 CYS CA C 1.092 7.210 6.121 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . rr_6qyu 1
. 4 . 406 . 1 1 7 CYS CB C 2.450 7.879 6.236 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . rr_6qyu 1
. 4 . 407 . 1 1 7 CYS H H 2.236 5.494 5.763 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . rr_6qyu 1
. 4 . 408 . 1 1 7 CYS HA H 0.619 7.194 7.085 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . rr_6qyu 1
. 4 . 409 . 1 1 7 CYS HB2 H 3.137 7.333 5.610 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . rr_6qyu 1
. 4 . 410 . 1 1 7 CYS HB3 H 2.393 8.906 5.911 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . rr_6qyu 1
. 4 . 411 . 1 1 7 CYS N N 1.334 5.855 5.676 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . rr_6qyu 1
. 4 . 412 . 1 1 7 CYS O O -0.231 9.085 5.419 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . rr_6qyu 1
. 4 . 413 . 1 1 7 CYS SG S 3.032 7.807 7.941 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . rr_6qyu 1
. 4 . 414 . 1 1 8 ALA C C -1.854 8.968 3.597 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_6qyu 1
. 4 . 415 . 1 1 8 ALA CA C -0.882 7.973 2.971 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_6qyu 1
. 4 . 416 . 1 1 8 ALA CB C -1.666 6.888 2.239 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_6qyu 1
. 4 . 417 . 1 1 8 ALA H H 0.329 6.469 3.826 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_6qyu 1
. 4 . 418 . 1 1 8 ALA HA H -0.253 8.489 2.262 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_6qyu 1
. 4 . 419 . 1 1 8 ALA HB1 H -1.886 7.218 1.236 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_6qyu 1
. 4 . 420 . 1 1 8 ALA HB2 H -2.588 6.694 2.768 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_6qyu 1
. 4 . 421 . 1 1 8 ALA HB3 H -1.075 5.984 2.202 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_6qyu 1
. 4 . 422 . 1 1 8 ALA N N -0.048 7.356 3.991 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_6qyu 1
. 4 . 423 . 1 1 8 ALA O O -2.990 8.589 3.831 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_6qyu 1
. 4 . 424 . 1 1 8 ALA OXT O -1.448 10.095 3.832 . . . 1.0 . . . . . . . . . . . . A . 8 ALA OXT . . . . . . . . . rr_6qyu 1
. 5 . 425 . 1 1 1 PHE C C 9.081 2.484 7.880 . . . 1.0 . . . . . . . . . . . . A . 1 PHE C . . . . . . . . . rr_6qyu 1
. 5 . 426 . 1 1 1 PHE CA C 9.846 1.693 6.824 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CA . . . . . . . . . rr_6qyu 1
. 5 . 427 . 1 1 1 PHE CB C 8.905 1.298 5.685 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CB . . . . . . . . . rr_6qyu 1
. 5 . 428 . 1 1 1 PHE CD1 C 10.638 1.379 3.857 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CD1 . . . . . . . . . rr_6qyu 1
. 5 . 429 . 1 1 1 PHE CD2 C 9.493 -0.716 4.288 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CD2 . . . . . . . . . rr_6qyu 1
. 5 . 430 . 1 1 1 PHE CE1 C 11.372 0.766 2.834 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CE1 . . . . . . . . . rr_6qyu 1
. 5 . 431 . 1 1 1 PHE CE2 C 10.229 -1.328 3.266 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CE2 . . . . . . . . . rr_6qyu 1
. 5 . 432 . 1 1 1 PHE CG C 9.698 0.637 4.583 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CG . . . . . . . . . rr_6qyu 1
. 5 . 433 . 1 1 1 PHE CZ C 11.169 -0.587 2.538 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CZ . . . . . . . . . rr_6qyu 1
. 5 . 434 . 1 1 1 PHE H1 H 11.431 0.603 7.621 . . . 1.0 . . . . . . . . . . . . A . 1 PHE H1 . . . . . . . . . rr_6qyu 1
. 5 . 435 . 1 1 1 PHE H2 H 10.282 -0.342 6.800 . . . 1.0 . . . . . . . . . . . . A . 1 PHE H2 . . . . . . . . . rr_6qyu 1
. 5 . 436 . 1 1 1 PHE H3 H 9.934 0.274 8.345 . . . 1.0 . . . . . . . . . . . . A . 1 PHE H3 . . . . . . . . . rr_6qyu 1
. 5 . 437 . 1 1 1 PHE HA H 10.648 2.302 6.433 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HA . . . . . . . . . rr_6qyu 1
. 5 . 438 . 1 1 1 PHE HB2 H 8.161 0.607 6.056 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HB2 . . . . . . . . . rr_6qyu 1
. 5 . 439 . 1 1 1 PHE HB3 H 8.417 2.179 5.297 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HB3 . . . . . . . . . rr_6qyu 1
. 5 . 440 . 1 1 1 PHE HD1 H 10.796 2.422 4.085 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HD1 . . . . . . . . . rr_6qyu 1
. 5 . 441 . 1 1 1 PHE HD2 H 8.768 -1.287 4.848 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HD2 . . . . . . . . . rr_6qyu 1
. 5 . 442 . 1 1 1 PHE HE1 H 12.098 1.339 2.274 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HE1 . . . . . . . . . rr_6qyu 1
. 5 . 443 . 1 1 1 PHE HE2 H 10.071 -2.372 3.037 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HE2 . . . . . . . . . rr_6qyu 1
. 5 . 444 . 1 1 1 PHE HZ H 11.736 -1.058 1.751 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HZ . . . . . . . . . rr_6qyu 1
. 5 . 445 . 1 1 1 PHE N N 10.416 0.465 7.445 . . . 1.0 . . . . . . . . . . . . A . 1 PHE N . . . . . . . . . rr_6qyu 1
. 5 . 446 . 1 1 1 PHE O O 8.983 2.066 9.033 . . . 1.0 . . . . . . . . . . . . A . 1 PHE O . . . . . . . . . rr_6qyu 1
. 5 . 447 . 1 1 2 DHA C C 6.671 5.075 7.750 . . . 1.0 . . . . . . . . . . . . A . 2 DHA C . . . . . . . . . rr_6qyu 1
. 5 . 448 . 1 1 2 DHA CA C 7.817 4.420 8.387 . . . 1.0 . . . . . . . . . . . . A . 2 DHA CA . . . . . . . . . rr_6qyu 1
. 5 . 449 . 1 1 2 DHA CB C 8.044 4.637 9.677 . . . 1.0 . . . . . . . . . . . . A . 2 DHA CB . . . . . . . . . rr_6qyu 1
. 5 . 450 . 1 1 2 DHA H H 8.603 3.983 6.565 . . . 1.0 . . . . . . . . . . . . A . 2 DHA H . . . . . . . . . rr_6qyu 1
. 5 . 451 . 1 1 2 DHA HB1 H 8.869 4.183 10.150 . . . 1.0 . . . . . . . . . . . . A . 2 DHA HB1 . . . . . . . . . rr_6qyu 1
. 5 . 452 . 1 1 2 DHA HB2 H 7.384 5.272 10.251 . . . 1.0 . . . . . . . . . . . . A . 2 DHA HB2 . . . . . . . . . rr_6qyu 1
. 5 . 453 . 1 1 2 DHA N N 8.530 3.645 7.481 . . . 1.0 . . . . . . . . . . . . A . 2 DHA N . . . . . . . . . rr_6qyu 1
. 5 . 454 . 1 1 2 DHA O O 5.741 4.447 7.244 . . . 1.0 . . . . . . . . . . . . A . 2 DHA O . . . . . . . . . rr_6qyu 1
. 5 . 455 . 1 1 3 DAL C C 5.689 7.117 5.693 . . . 1.0 . . . . . . . . . . . . A . 3 DAL C . . . . . . . . . rr_6qyu 1
. 5 . 456 . 1 1 3 DAL CA C 5.608 7.139 7.222 . . . 1.0 . . . . . . . . . . . . A . 3 DAL CA . . . . . . . . . rr_6qyu 1
. 5 . 457 . 1 1 3 DAL CB C 4.308 6.514 7.729 . . . 1.0 . . . . . . . . . . . . A . 3 DAL CB . . . . . . . . . rr_6qyu 1
. 5 . 458 . 1 1 3 DAL H H 7.443 6.896 8.215 . . . 1.0 . . . . . . . . . . . . A . 3 DAL H . . . . . . . . . rr_6qyu 1
. 5 . 459 . 1 1 3 DAL HA H 5.661 8.151 7.561 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HA . . . . . . . . . rr_6qyu 1
. 5 . 460 . 1 1 3 DAL HB1 H 4.496 6.037 8.680 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HB1 . . . . . . . . . rr_6qyu 1
. 5 . 461 . 1 1 3 DAL HB2 H 3.973 5.776 7.030 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HB2 . . . . . . . . . rr_6qyu 1
. 5 . 462 . 1 1 3 DAL N N 6.706 6.407 7.792 . . . 1.0 . . . . . . . . . . . . A . 3 DAL N . . . . . . . . . rr_6qyu 1
. 5 . 463 . 1 1 3 DAL O O 5.088 7.950 5.015 . . . 1.0 . . . . . . . . . . . . A . 3 DAL O . . . . . . . . . rr_6qyu 1
. 5 . 464 . 1 1 4 LEU C C 5.739 5.049 3.061 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . rr_6qyu 1
. 5 . 465 . 1 1 4 LEU CA C 6.656 6.095 3.706 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . rr_6qyu 1
. 5 . 466 . 1 1 4 LEU CB C 8.113 5.755 3.386 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . rr_6qyu 1
. 5 . 467 . 1 1 4 LEU CD1 C 8.494 7.693 1.855 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . rr_6qyu 1
. 5 . 468 . 1 1 4 LEU CD2 C 8.613 8.012 4.330 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . rr_6qyu 1
. 5 . 469 . 1 1 4 LEU CG C 8.905 7.047 3.179 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . rr_6qyu 1
. 5 . 470 . 1 1 4 LEU H H 6.968 5.574 5.746 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . rr_6qyu 1
. 5 . 471 . 1 1 4 LEU HA H 6.428 7.056 3.273 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . rr_6qyu 1
. 5 . 472 . 1 1 4 LEU HB2 H 8.540 5.197 4.207 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . rr_6qyu 1
. 5 . 473 . 1 1 4 LEU HB3 H 8.154 5.161 2.486 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . rr_6qyu 1
. 5 . 474 . 1 1 4 LEU HD11 H 7.684 8.386 2.030 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . rr_6qyu 1
. 5 . 475 . 1 1 4 LEU HD12 H 8.169 6.927 1.166 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . rr_6qyu 1
. 5 . 476 . 1 1 4 LEU HD13 H 9.336 8.222 1.436 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . rr_6qyu 1
. 5 . 477 . 1 1 4 LEU HD21 H 9.469 8.650 4.492 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . rr_6qyu 1
. 5 . 478 . 1 1 4 LEU HD22 H 8.409 7.449 5.230 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . rr_6qyu 1
. 5 . 479 . 1 1 4 LEU HD23 H 7.753 8.617 4.082 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . rr_6qyu 1
. 5 . 480 . 1 1 4 LEU HG H 9.962 6.820 3.156 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . rr_6qyu 1
. 5 . 481 . 1 1 4 LEU N N 6.476 6.185 5.157 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . rr_6qyu 1
. 5 . 482 . 1 1 4 LEU O O 5.608 5.012 1.837 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . rr_6qyu 1
. 5 . 483 . 1 1 5 DHA C C 3.116 2.969 4.175 . . . 1.0 . . . . . . . . . . . . A . 5 DHA C . . . . . . . . . rr_6qyu 1
. 5 . 484 . 1 1 5 DHA CA C 4.247 3.232 3.317 . . . 1.0 . . . . . . . . . . . . A . 5 DHA CA . . . . . . . . . rr_6qyu 1
. 5 . 485 . 1 1 5 DHA CB C 4.331 2.600 2.175 . . . 1.0 . . . . . . . . . . . . A . 5 DHA CB . . . . . . . . . rr_6qyu 1
. 5 . 486 . 1 1 5 DHA H H 5.173 4.203 4.845 . . . 1.0 . . . . . . . . . . . . A . 5 DHA H . . . . . . . . . rr_6qyu 1
. 5 . 487 . 1 1 5 DHA HB1 H 5.134 2.795 1.548 . . . 1.0 . . . . . . . . . . . . A . 5 DHA HB1 . . . . . . . . . rr_6qyu 1
. 5 . 488 . 1 1 5 DHA HB2 H 3.581 1.878 1.889 . . . 1.0 . . . . . . . . . . . . A . 5 DHA HB2 . . . . . . . . . rr_6qyu 1
. 5 . 489 . 1 1 5 DHA N N 5.092 4.191 3.870 . . . 1.0 . . . . . . . . . . . . A . 5 DHA N . . . . . . . . . rr_6qyu 1
. 5 . 490 . 1 1 5 DHA O O 3.111 2.045 4.967 . . . 1.0 . . . . . . . . . . . . A . 5 DHA O . . . . . . . . . rr_6qyu 1
. 5 . 491 . 1 1 6 LEU C C 0.390 5.069 5.174 . . . 1.0 . . . . . . . . . . . . A . 6 LEU C . . . . . . . . . rr_6qyu 1
. 5 . 492 . 1 1 6 LEU CA C 0.867 3.691 4.746 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CA . . . . . . . . . rr_6qyu 1
. 5 . 493 . 1 1 6 LEU CB C 1.084 2.840 5.999 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CB . . . . . . . . . rr_6qyu 1
. 5 . 494 . 1 1 6 LEU CD1 C 1.672 4.125 8.065 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD1 . . . . . . . . . rr_6qyu 1
. 5 . 495 . 1 1 6 LEU CD2 C 3.218 2.320 7.294 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD2 . . . . . . . . . rr_6qyu 1
. 5 . 496 . 1 1 6 LEU CG C 2.245 3.422 6.833 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CG . . . . . . . . . rr_6qyu 1
. 5 . 497 . 1 1 6 LEU H H 2.173 4.511 3.289 . . . 1.0 . . . . . . . . . . . . A . 6 LEU H . . . . . . . . . rr_6qyu 1
. 5 . 498 . 1 1 6 LEU HA H 0.121 3.228 4.128 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HA . . . . . . . . . rr_6qyu 1
. 5 . 499 . 1 1 6 LEU HB2 H 0.182 2.857 6.591 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB2 . . . . . . . . . rr_6qyu 1
. 5 . 500 . 1 1 6 LEU HB3 H 1.304 1.835 5.703 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB3 . . . . . . . . . rr_6qyu 1
. 5 . 501 . 1 1 6 LEU HD11 H 0.750 4.623 7.799 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD11 . . . . . . . . . rr_6qyu 1
. 5 . 502 . 1 1 6 LEU HD12 H 2.383 4.852 8.428 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD12 . . . . . . . . . rr_6qyu 1
. 5 . 503 . 1 1 6 LEU HD13 H 1.477 3.396 8.837 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD13 . . . . . . . . . rr_6qyu 1
. 5 . 504 . 1 1 6 LEU HD21 H 4.176 2.466 6.809 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD21 . . . . . . . . . rr_6qyu 1
. 5 . 505 . 1 1 6 LEU HD22 H 2.832 1.346 7.035 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD22 . . . . . . . . . rr_6qyu 1
. 5 . 506 . 1 1 6 LEU HD23 H 3.350 2.380 8.361 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD23 . . . . . . . . . rr_6qyu 1
. 5 . 507 . 1 1 6 LEU HG H 2.781 4.142 6.239 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HG . . . . . . . . . rr_6qyu 1
. 5 . 508 . 1 1 6 LEU N N 2.102 3.810 3.976 . . . 1.0 . . . . . . . . . . . . A . 6 LEU N . . . . . . . . . rr_6qyu 1
. 5 . 509 . 1 1 6 LEU O O -0.793 5.400 5.090 . . . 1.0 . . . . . . . . . . . . A . 6 LEU O . . . . . . . . . rr_6qyu 1
. 5 . 510 . 1 1 7 CYS C C 0.260 8.015 5.121 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . rr_6qyu 1
. 5 . 511 . 1 1 7 CYS CA C 1.117 7.210 6.091 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . rr_6qyu 1
. 5 . 512 . 1 1 7 CYS CB C 2.488 7.850 6.229 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . rr_6qyu 1
. 5 . 513 . 1 1 7 CYS H H 2.255 5.506 5.662 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . rr_6qyu 1
. 5 . 514 . 1 1 7 CYS HA H 0.638 7.187 7.049 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . rr_6qyu 1
. 5 . 515 . 1 1 7 CYS HB2 H 3.174 7.278 5.625 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . rr_6qyu 1
. 5 . 516 . 1 1 7 CYS HB3 H 2.461 8.872 5.887 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . rr_6qyu 1
. 5 . 517 . 1 1 7 CYS N N 1.345 5.853 5.630 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . rr_6qyu 1
. 5 . 518 . 1 1 7 CYS O O 0.055 9.213 5.312 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . rr_6qyu 1
. 5 . 519 . 1 1 7 CYS SG S 3.037 7.791 7.946 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . rr_6qyu 1
. 5 . 520 . 1 1 8 ALA C C -2.264 8.705 3.767 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_6qyu 1
. 5 . 521 . 1 1 8 ALA CA C -1.075 8.014 3.101 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_6qyu 1
. 5 . 522 . 1 1 8 ALA CB C -1.581 6.974 2.111 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_6qyu 1
. 5 . 523 . 1 1 8 ALA H H -0.043 6.405 3.986 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_6qyu 1
. 5 . 524 . 1 1 8 ALA HA H -0.489 8.748 2.571 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_6qyu 1
. 5 . 525 . 1 1 8 ALA HB1 H -1.765 6.047 2.634 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_6qyu 1
. 5 . 526 . 1 1 8 ALA HB2 H -0.834 6.816 1.348 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_6qyu 1
. 5 . 527 . 1 1 8 ALA HB3 H -2.495 7.323 1.661 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_6qyu 1
. 5 . 528 . 1 1 8 ALA N N -0.239 7.356 4.089 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_6qyu 1
. 5 . 529 . 1 1 8 ALA O O -2.041 9.470 4.691 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_6qyu 1
. 5 . 530 . 1 1 8 ALA OXT O -3.380 8.460 3.340 . . . 1.0 . . . . . . . . . . . . A . 8 ALA OXT . . . . . . . . . rr_6qyu 1
. 6 . 531 . 1 1 1 PHE C C 10.131 4.477 7.437 . . . 1.0 . . . . . . . . . . . . A . 1 PHE C . . . . . . . . . rr_6qyu 1
. 6 . 532 . 1 1 1 PHE CA C 11.067 3.780 6.458 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CA . . . . . . . . . rr_6qyu 1
. 6 . 533 . 1 1 1 PHE CB C 10.451 2.457 5.998 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CB . . . . . . . . . rr_6qyu 1
. 6 . 534 . 1 1 1 PHE CD1 C 11.267 1.711 3.733 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CD1 . . . . . . . . . rr_6qyu 1
. 6 . 535 . 1 1 1 PHE CD2 C 12.518 1.042 5.700 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CD2 . . . . . . . . . rr_6qyu 1
. 6 . 536 . 1 1 1 PHE CE1 C 12.179 1.027 2.920 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CE1 . . . . . . . . . rr_6qyu 1
. 6 . 537 . 1 1 1 PHE CE2 C 13.429 0.359 4.887 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CE2 . . . . . . . . . rr_6qyu 1
. 6 . 538 . 1 1 1 PHE CG C 11.436 1.719 5.122 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CG . . . . . . . . . rr_6qyu 1
. 6 . 539 . 1 1 1 PHE CZ C 13.260 0.350 3.498 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CZ . . . . . . . . . rr_6qyu 1
. 6 . 540 . 1 1 1 PHE H1 H 12.561 4.254 7.828 . . . 1.0 . . . . . . . . . . . . A . 1 PHE H1 . . . . . . . . . rr_6qyu 1
. 6 . 541 . 1 1 1 PHE H2 H 13.130 3.503 6.416 . . . 1.0 . . . . . . . . . . . . A . 1 PHE H2 . . . . . . . . . rr_6qyu 1
. 6 . 542 . 1 1 1 PHE H3 H 12.333 2.589 7.605 . . . 1.0 . . . . . . . . . . . . A . 1 PHE H3 . . . . . . . . . rr_6qyu 1
. 6 . 543 . 1 1 1 PHE HA H 11.230 4.417 5.601 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HA . . . . . . . . . rr_6qyu 1
. 6 . 544 . 1 1 1 PHE HB2 H 10.212 1.853 6.860 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HB2 . . . . . . . . . rr_6qyu 1
. 6 . 545 . 1 1 1 PHE HB3 H 9.550 2.655 5.436 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HB3 . . . . . . . . . rr_6qyu 1
. 6 . 546 . 1 1 1 PHE HD1 H 10.434 2.233 3.288 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HD1 . . . . . . . . . rr_6qyu 1
. 6 . 547 . 1 1 1 PHE HD2 H 12.648 1.049 6.772 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HD2 . . . . . . . . . rr_6qyu 1
. 6 . 548 . 1 1 1 PHE HE1 H 12.048 1.020 1.849 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HE1 . . . . . . . . . rr_6qyu 1
. 6 . 549 . 1 1 1 PHE HE2 H 14.264 -0.163 5.333 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HE2 . . . . . . . . . rr_6qyu 1
. 6 . 550 . 1 1 1 PHE HZ H 13.964 -0.177 2.871 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HZ . . . . . . . . . rr_6qyu 1
. 6 . 551 . 1 1 1 PHE N N 12.372 3.510 7.127 . . . 1.0 . . . . . . . . . . . . A . 1 PHE N . . . . . . . . . rr_6qyu 1
. 6 . 552 . 1 1 1 PHE O O 10.532 5.401 8.146 . . . 1.0 . . . . . . . . . . . . A . 1 PHE O . . . . . . . . . rr_6qyu 1
. 6 . 553 . 1 1 2 DHA C C 6.810 5.195 7.637 . . . 1.0 . . . . . . . . . . . . A . 2 DHA C . . . . . . . . . rr_6qyu 1
. 6 . 554 . 1 1 2 DHA CA C 7.951 4.617 8.352 . . . 1.0 . . . . . . . . . . . . A . 2 DHA CA . . . . . . . . . rr_6qyu 1
. 6 . 555 . 1 1 2 DHA CB C 7.994 4.727 9.675 . . . 1.0 . . . . . . . . . . . . A . 2 DHA CB . . . . . . . . . rr_6qyu 1
. 6 . 556 . 1 1 2 DHA H H 8.535 3.296 6.922 . . . 1.0 . . . . . . . . . . . . A . 2 DHA H . . . . . . . . . rr_6qyu 1
. 6 . 557 . 1 1 2 DHA HB1 H 8.808 4.331 10.210 . . . 1.0 . . . . . . . . . . . . A . 2 DHA HB1 . . . . . . . . . rr_6qyu 1
. 6 . 558 . 1 1 2 DHA HB2 H 7.193 5.216 10.210 . . . 1.0 . . . . . . . . . . . . A . 2 DHA HB2 . . . . . . . . . rr_6qyu 1
. 6 . 559 . 1 1 2 DHA N N 8.863 4.030 7.481 . . . 1.0 . . . . . . . . . . . . A . 2 DHA N . . . . . . . . . rr_6qyu 1
. 6 . 560 . 1 1 2 DHA O O 6.017 4.518 6.983 . . . 1.0 . . . . . . . . . . . . A . 2 DHA O . . . . . . . . . rr_6qyu 1
. 6 . 561 . 1 1 3 DAL C C 5.681 7.097 5.638 . . . 1.0 . . . . . . . . . . . . A . 3 DAL C . . . . . . . . . rr_6qyu 1
. 6 . 562 . 1 1 3 DAL CA C 5.576 7.178 7.164 . . . 1.0 . . . . . . . . . . . . A . 3 DAL CA . . . . . . . . . rr_6qyu 1
. 6 . 563 . 1 1 3 DAL CB C 4.286 6.540 7.675 . . . 1.0 . . . . . . . . . . . . A . 3 DAL CB . . . . . . . . . rr_6qyu 1
. 6 . 564 . 1 1 3 DAL H H 7.312 7.033 8.335 . . . 1.0 . . . . . . . . . . . . A . 3 DAL H . . . . . . . . . rr_6qyu 1
. 6 . 565 . 1 1 3 DAL HA H 5.590 8.205 7.460 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HA . . . . . . . . . rr_6qyu 1
. 6 . 566 . 1 1 3 DAL HB1 H 4.489 6.034 8.608 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HB1 . . . . . . . . . rr_6qyu 1
. 6 . 567 . 1 1 3 DAL HB2 H 3.935 5.825 6.960 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HB2 . . . . . . . . . rr_6qyu 1
. 6 . 568 . 1 1 3 DAL N N 6.685 6.512 7.789 . . . 1.0 . . . . . . . . . . . . A . 3 DAL N . . . . . . . . . rr_6qyu 1
. 6 . 569 . 1 1 3 DAL O O 5.054 7.875 4.921 . . . 1.0 . . . . . . . . . . . . A . 3 DAL O . . . . . . . . . rr_6qyu 1
. 6 . 570 . 1 1 4 LEU C C 5.786 5.009 3.068 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . rr_6qyu 1
. 6 . 571 . 1 1 4 LEU CA C 6.721 6.040 3.707 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . rr_6qyu 1
. 6 . 572 . 1 1 4 LEU CB C 8.172 5.642 3.432 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . rr_6qyu 1
. 6 . 573 . 1 1 4 LEU CD1 C 8.540 7.313 1.611 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . rr_6qyu 1
. 6 . 574 . 1 1 4 LEU CD2 C 8.711 8.012 4.002 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . rr_6qyu 1
. 6 . 575 . 1 1 4 LEU CG C 8.972 6.875 3.012 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . rr_6qyu 1
. 6 . 576 . 1 1 4 LEU H H 7.020 5.610 5.766 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . rr_6qyu 1
. 6 . 577 . 1 1 4 LEU HA H 6.539 6.997 3.242 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . rr_6qyu 1
. 6 . 578 . 1 1 4 LEU HB2 H 8.604 5.220 4.328 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . rr_6qyu 1
. 6 . 579 . 1 1 4 LEU HB3 H 8.200 4.909 2.639 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . rr_6qyu 1
. 6 . 580 . 1 1 4 LEU HD11 H 8.088 6.477 1.097 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . rr_6qyu 1
. 6 . 581 . 1 1 4 LEU HD12 H 9.403 7.651 1.057 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . rr_6qyu 1
. 6 . 582 . 1 1 4 LEU HD13 H 7.824 8.116 1.689 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . rr_6qyu 1
. 6 . 583 . 1 1 4 LEU HD21 H 9.646 8.490 4.257 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . rr_6qyu 1
. 6 . 584 . 1 1 4 LEU HD22 H 8.256 7.614 4.896 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . rr_6qyu 1
. 6 . 585 . 1 1 4 LEU HD23 H 8.049 8.737 3.552 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . rr_6qyu 1
. 6 . 586 . 1 1 4 LEU HG H 10.025 6.635 3.004 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . rr_6qyu 1
. 6 . 587 . 1 1 4 LEU N N 6.513 6.179 5.149 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . rr_6qyu 1
. 6 . 588 . 1 1 4 LEU O O 5.664 4.963 1.843 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . rr_6qyu 1
. 6 . 589 . 1 1 5 DHA C C 3.109 2.964 4.146 . . . 1.0 . . . . . . . . . . . . A . 5 DHA C . . . . . . . . . rr_6qyu 1
. 6 . 590 . 1 1 5 DHA CA C 4.264 3.219 3.314 . . . 1.0 . . . . . . . . . . . . A . 5 DHA CA . . . . . . . . . rr_6qyu 1
. 6 . 591 . 1 1 5 DHA CB C 4.357 2.591 2.170 . . . 1.0 . . . . . . . . . . . . A . 5 DHA CB . . . . . . . . . rr_6qyu 1
. 6 . 592 . 1 1 5 DHA H H 5.194 4.181 4.854 . . . 1.0 . . . . . . . . . . . . A . 5 DHA H . . . . . . . . . rr_6qyu 1
. 6 . 593 . 1 1 5 DHA HB1 H 5.174 2.777 1.557 . . . 1.0 . . . . . . . . . . . . A . 5 DHA HB1 . . . . . . . . . rr_6qyu 1
. 6 . 594 . 1 1 5 DHA HB2 H 3.603 1.879 1.869 . . . 1.0 . . . . . . . . . . . . A . 5 DHA HB2 . . . . . . . . . rr_6qyu 1
. 6 . 595 . 1 1 5 DHA N N 5.117 4.167 3.878 . . . 1.0 . . . . . . . . . . . . A . 5 DHA N . . . . . . . . . rr_6qyu 1
. 6 . 596 . 1 1 5 DHA O O 3.049 1.999 4.891 . . . 1.0 . . . . . . . . . . . . A . 5 DHA O . . . . . . . . . rr_6qyu 1
. 6 . 597 . 1 1 6 LEU C C 0.395 5.115 5.120 . . . 1.0 . . . . . . . . . . . . A . 6 LEU C . . . . . . . . . rr_6qyu 1
. 6 . 598 . 1 1 6 LEU CA C 0.880 3.736 4.707 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CA . . . . . . . . . rr_6qyu 1
. 6 . 599 . 1 1 6 LEU CB C 1.061 2.877 5.957 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CB . . . . . . . . . rr_6qyu 1
. 6 . 600 . 1 1 6 LEU CD1 C 1.700 4.094 8.047 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD1 . . . . . . . . . rr_6qyu 1
. 6 . 601 . 1 1 6 LEU CD2 C 3.176 2.248 7.235 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD2 . . . . . . . . . rr_6qyu 1
. 6 . 602 . 1 1 6 LEU CG C 2.245 3.398 6.800 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CG . . . . . . . . . rr_6qyu 1
. 6 . 603 . 1 1 6 LEU H H 2.241 4.579 3.321 . . . 1.0 . . . . . . . . . . . . A . 6 LEU H . . . . . . . . . rr_6qyu 1
. 6 . 604 . 1 1 6 LEU HA H 0.149 3.279 4.067 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HA . . . . . . . . . rr_6qyu 1
. 6 . 605 . 1 1 6 LEU HB2 H 0.159 2.928 6.548 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB2 . . . . . . . . . rr_6qyu 1
. 6 . 606 . 1 1 6 LEU HB3 H 1.235 1.863 5.656 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB3 . . . . . . . . . rr_6qyu 1
. 6 . 607 . 1 1 6 LEU HD11 H 2.521 4.514 8.611 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD11 . . . . . . . . . rr_6qyu 1
. 6 . 608 . 1 1 6 LEU HD12 H 1.173 3.377 8.659 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD12 . . . . . . . . . rr_6qyu 1
. 6 . 609 . 1 1 6 LEU HD13 H 1.025 4.883 7.753 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD13 . . . . . . . . . rr_6qyu 1
. 6 . 610 . 1 1 6 LEU HD21 H 4.134 2.360 6.744 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD21 . . . . . . . . . rr_6qyu 1
. 6 . 611 . 1 1 6 LEU HD22 H 2.747 1.297 6.964 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD22 . . . . . . . . . rr_6qyu 1
. 6 . 612 . 1 1 6 LEU HD23 H 3.318 2.286 8.302 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD23 . . . . . . . . . rr_6qyu 1
. 6 . 613 . 1 1 6 LEU HG H 2.808 4.108 6.221 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HG . . . . . . . . . rr_6qyu 1
. 6 . 614 . 1 1 6 LEU N N 2.132 3.851 3.970 . . . 1.0 . . . . . . . . . . . . A . 6 LEU N . . . . . . . . . rr_6qyu 1
. 6 . 615 . 1 1 6 LEU O O -0.754 5.495 4.889 . . . 1.0 . . . . . . . . . . . . A . 6 LEU O . . . . . . . . . rr_6qyu 1
. 6 . 616 . 1 1 7 CYS C C 0.122 7.941 5.247 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . rr_6qyu 1
. 6 . 617 . 1 1 7 CYS CA C 1.055 7.194 6.189 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . rr_6qyu 1
. 6 . 618 . 1 1 7 CYS CB C 2.402 7.889 6.264 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . rr_6qyu 1
. 6 . 619 . 1 1 7 CYS H H 2.191 5.467 5.855 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . rr_6qyu 1
. 6 . 620 . 1 1 7 CYS HA H 0.619 7.163 7.170 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . rr_6qyu 1
. 6 . 621 . 1 1 7 CYS HB2 H 3.082 7.362 5.613 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . rr_6qyu 1
. 6 . 622 . 1 1 7 CYS HB3 H 2.312 8.916 5.948 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . rr_6qyu 1
. 6 . 623 . 1 1 7 CYS N N 1.305 5.846 5.724 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . rr_6qyu 1
. 6 . 624 . 1 1 7 CYS O O -0.510 8.925 5.633 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . rr_6qyu 1
. 6 . 625 . 1 1 7 CYS SG S 3.033 7.820 7.953 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . rr_6qyu 1
. 6 . 626 . 1 1 8 ALA C C -1.378 7.068 2.055 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_6qyu 1
. 6 . 627 . 1 1 8 ALA CA C -0.815 8.104 3.023 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_6qyu 1
. 6 . 628 . 1 1 8 ALA CB C -0.016 9.155 2.254 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_6qyu 1
. 6 . 629 . 1 1 8 ALA H H 0.571 6.684 3.764 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_6qyu 1
. 6 . 630 . 1 1 8 ALA HA H -1.632 8.591 3.530 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_6qyu 1
. 6 . 631 . 1 1 8 ALA HB1 H -0.113 8.977 1.195 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_6qyu 1
. 6 . 632 . 1 1 8 ALA HB2 H 1.025 9.091 2.537 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_6qyu 1
. 6 . 633 . 1 1 8 ALA HB3 H -0.394 10.137 2.493 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_6qyu 1
. 6 . 634 . 1 1 8 ALA N N 0.043 7.470 4.013 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_6qyu 1
. 6 . 635 . 1 1 8 ALA O O -0.962 5.924 2.136 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_6qyu 1
. 6 . 636 . 1 1 8 ALA OXT O -2.216 7.435 1.249 . . . 1.0 . . . . . . . . . . . . A . 8 ALA OXT . . . . . . . . . rr_6qyu 1
. 7 . 637 . 1 1 1 PHE C C 9.555 3.517 7.308 . . . 1.0 . . . . . . . . . . . . A . 1 PHE C . . . . . . . . . rr_6qyu 1
. 7 . 638 . 1 1 1 PHE CA C 10.084 2.432 6.375 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CA . . . . . . . . . rr_6qyu 1
. 7 . 639 . 1 1 1 PHE CB C 10.981 3.054 5.303 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CB . . . . . . . . . rr_6qyu 1
. 7 . 640 . 1 1 1 PHE CD1 C 13.383 2.408 4.895 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CD1 . . . . . . . . . rr_6qyu 1
. 7 . 641 . 1 1 1 PHE CD2 C 11.646 0.773 4.456 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CD2 . . . . . . . . . rr_6qyu 1
. 7 . 642 . 1 1 1 PHE CE1 C 14.354 1.483 4.495 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CE1 . . . . . . . . . rr_6qyu 1
. 7 . 643 . 1 1 1 PHE CE2 C 12.618 -0.152 4.058 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CE2 . . . . . . . . . rr_6qyu 1
. 7 . 644 . 1 1 1 PHE CG C 12.028 2.054 4.875 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CG . . . . . . . . . rr_6qyu 1
. 7 . 645 . 1 1 1 PHE CZ C 13.972 0.203 4.077 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CZ . . . . . . . . . rr_6qyu 1
. 7 . 646 . 1 1 1 PHE H1 H 8.139 2.406 5.632 . . . 1.0 . . . . . . . . . . . . A . 1 PHE H1 . . . . . . . . . rr_6qyu 1
. 7 . 647 . 1 1 1 PHE H2 H 8.647 0.927 6.297 . . . 1.0 . . . . . . . . . . . . A . 1 PHE H2 . . . . . . . . . rr_6qyu 1
. 7 . 648 . 1 1 1 PHE H3 H 9.220 1.418 4.774 . . . 1.0 . . . . . . . . . . . . A . 1 PHE H3 . . . . . . . . . rr_6qyu 1
. 7 . 649 . 1 1 1 PHE HA H 10.653 1.715 6.947 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HA . . . . . . . . . rr_6qyu 1
. 7 . 650 . 1 1 1 PHE HB2 H 10.379 3.333 4.450 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HB2 . . . . . . . . . rr_6qyu 1
. 7 . 651 . 1 1 1 PHE HB3 H 11.464 3.932 5.703 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HB3 . . . . . . . . . rr_6qyu 1
. 7 . 652 . 1 1 1 PHE HD1 H 13.678 3.396 5.218 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HD1 . . . . . . . . . rr_6qyu 1
. 7 . 653 . 1 1 1 PHE HD2 H 10.601 0.499 4.442 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HD2 . . . . . . . . . rr_6qyu 1
. 7 . 654 . 1 1 1 PHE HE1 H 15.398 1.755 4.511 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HE1 . . . . . . . . . rr_6qyu 1
. 7 . 655 . 1 1 1 PHE HE2 H 12.323 -1.140 3.735 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HE2 . . . . . . . . . rr_6qyu 1
. 7 . 656 . 1 1 1 PHE HZ H 14.722 -0.511 3.769 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HZ . . . . . . . . . rr_6qyu 1
. 7 . 657 . 1 1 1 PHE N N 8.936 1.744 5.720 . . . 1.0 . . . . . . . . . . . . A . 1 PHE N . . . . . . . . . rr_6qyu 1
. 7 . 658 . 1 1 1 PHE O O 10.291 4.419 7.711 . . . 1.0 . . . . . . . . . . . . A . 1 PHE O . . . . . . . . . rr_6qyu 1
. 7 . 659 . 1 1 2 DHA C C 6.563 5.056 7.876 . . . 1.0 . . . . . . . . . . . . A . 2 DHA C . . . . . . . . . rr_6qyu 1
. 7 . 660 . 1 1 2 DHA CA C 7.697 4.374 8.507 . . . 1.0 . . . . . . . . . . . . A . 2 DHA CA . . . . . . . . . rr_6qyu 1
. 7 . 661 . 1 1 2 DHA CB C 8.045 4.712 9.745 . . . 1.0 . . . . . . . . . . . . A . 2 DHA CB . . . . . . . . . rr_6qyu 1
. 7 . 662 . 1 1 2 DHA H H 7.671 2.711 7.341 . . . 1.0 . . . . . . . . . . . . A . 2 DHA H . . . . . . . . . rr_6qyu 1
. 7 . 663 . 1 1 2 DHA HB1 H 8.861 4.237 10.206 . . . 1.0 . . . . . . . . . . . . A . 2 DHA HB1 . . . . . . . . . rr_6qyu 1
. 7 . 664 . 1 1 2 DHA HB2 H 7.497 5.472 10.283 . . . 1.0 . . . . . . . . . . . . A . 2 DHA HB2 . . . . . . . . . rr_6qyu 1
. 7 . 665 . 1 1 2 DHA N N 8.259 3.428 7.658 . . . 1.0 . . . . . . . . . . . . A . 2 DHA N . . . . . . . . . rr_6qyu 1
. 7 . 666 . 1 1 2 DHA O O 5.569 4.451 7.478 . . . 1.0 . . . . . . . . . . . . A . 2 DHA O . . . . . . . . . rr_6qyu 1
. 7 . 667 . 1 1 3 DAL C C 5.686 7.114 5.687 . . . 1.0 . . . . . . . . . . . . A . 3 DAL C . . . . . . . . . rr_6qyu 1
. 7 . 668 . 1 1 3 DAL CA C 5.601 7.137 7.216 . . . 1.0 . . . . . . . . . . . . A . 3 DAL CA . . . . . . . . . rr_6qyu 1
. 7 . 669 . 1 1 3 DAL CB C 4.288 6.540 7.719 . . . 1.0 . . . . . . . . . . . . A . 3 DAL CB . . . . . . . . . rr_6qyu 1
. 7 . 670 . 1 1 3 DAL H H 7.474 6.862 8.130 . . . 1.0 . . . . . . . . . . . . A . 3 DAL H . . . . . . . . . rr_6qyu 1
. 7 . 671 . 1 1 3 DAL HA H 5.668 8.150 7.553 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HA . . . . . . . . . rr_6qyu 1
. 7 . 672 . 1 1 3 DAL HB1 H 4.461 6.062 8.672 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HB1 . . . . . . . . . rr_6qyu 1
. 7 . 673 . 1 1 3 DAL HB2 H 3.940 5.809 7.021 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HB2 . . . . . . . . . rr_6qyu 1
. 7 . 674 . 1 1 3 DAL N N 6.685 6.386 7.794 . . . 1.0 . . . . . . . . . . . . A . 3 DAL N . . . . . . . . . rr_6qyu 1
. 7 . 675 . 1 1 3 DAL O O 5.087 7.948 5.009 . . . 1.0 . . . . . . . . . . . . A . 3 DAL O . . . . . . . . . rr_6qyu 1
. 7 . 676 . 1 1 4 LEU C C 5.752 5.032 3.057 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . rr_6qyu 1
. 7 . 677 . 1 1 4 LEU CA C 6.652 6.096 3.700 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . rr_6qyu 1
. 7 . 678 . 1 1 4 LEU CB C 8.114 5.780 3.382 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . rr_6qyu 1
. 7 . 679 . 1 1 4 LEU CD1 C 10.145 6.604 2.181 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . rr_6qyu 1
. 7 . 680 . 1 1 4 LEU CD2 C 7.970 6.409 0.968 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . rr_6qyu 1
. 7 . 681 . 1 1 4 LEU CG C 8.627 6.742 2.309 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . rr_6qyu 1
. 7 . 682 . 1 1 4 LEU H H 6.965 5.569 5.736 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . rr_6qyu 1
. 7 . 683 . 1 1 4 LEU HA H 6.410 7.055 3.268 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . rr_6qyu 1
. 7 . 684 . 1 1 4 LEU HB2 H 8.709 5.889 4.277 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . rr_6qyu 1
. 7 . 685 . 1 1 4 LEU HB3 H 8.192 4.767 3.019 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . rr_6qyu 1
. 7 . 686 . 1 1 4 LEU HD11 H 10.521 6.008 3.000 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . rr_6qyu 1
. 7 . 687 . 1 1 4 LEU HD12 H 10.599 7.583 2.210 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . rr_6qyu 1
. 7 . 688 . 1 1 4 LEU HD13 H 10.385 6.123 1.245 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . rr_6qyu 1
. 7 . 689 . 1 1 4 LEU HD21 H 8.576 6.797 0.163 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . rr_6qyu 1
. 7 . 690 . 1 1 4 LEU HD22 H 6.988 6.857 0.926 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . rr_6qyu 1
. 7 . 691 . 1 1 4 LEU HD23 H 7.880 5.337 0.867 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . rr_6qyu 1
. 7 . 692 . 1 1 4 LEU HG H 8.382 7.757 2.590 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . rr_6qyu 1
. 7 . 693 . 1 1 4 LEU N N 6.473 6.183 5.150 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . rr_6qyu 1
. 7 . 694 . 1 1 4 LEU O O 5.648 4.969 1.832 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . rr_6qyu 1
. 7 . 695 . 1 1 5 DHA C C 3.114 2.955 4.172 . . . 1.0 . . . . . . . . . . . . A . 5 DHA C . . . . . . . . . rr_6qyu 1
. 7 . 696 . 1 1 5 DHA CA C 4.255 3.213 3.324 . . . 1.0 . . . . . . . . . . . . A . 5 DHA CA . . . . . . . . . rr_6qyu 1
. 7 . 697 . 1 1 5 DHA CB C 4.357 2.564 2.194 . . . 1.0 . . . . . . . . . . . . A . 5 DHA CB . . . . . . . . . rr_6qyu 1
. 7 . 698 . 1 1 5 DHA H H 5.148 4.223 4.846 . . . 1.0 . . . . . . . . . . . . A . 5 DHA H . . . . . . . . . rr_6qyu 1
. 7 . 699 . 1 1 5 DHA HB1 H 5.165 2.754 1.573 . . . 1.0 . . . . . . . . . . . . A . 5 DHA HB1 . . . . . . . . . rr_6qyu 1
. 7 . 700 . 1 1 5 DHA HB2 H 3.616 1.831 1.910 . . . 1.0 . . . . . . . . . . . . A . 5 DHA HB2 . . . . . . . . . rr_6qyu 1
. 7 . 701 . 1 1 5 DHA N N 5.087 4.189 3.871 . . . 1.0 . . . . . . . . . . . . A . 5 DHA N . . . . . . . . . rr_6qyu 1
. 7 . 702 . 1 1 5 DHA O O 3.089 2.021 4.955 . . . 1.0 . . . . . . . . . . . . A . 5 DHA O . . . . . . . . . rr_6qyu 1
. 7 . 703 . 1 1 6 LEU C C 0.405 5.099 5.125 . . . 1.0 . . . . . . . . . . . . A . 6 LEU C . . . . . . . . . rr_6qyu 1
. 7 . 704 . 1 1 6 LEU CA C 0.878 3.710 4.734 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CA . . . . . . . . . rr_6qyu 1
. 7 . 705 . 1 1 6 LEU CB C 1.081 2.875 5.999 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CB . . . . . . . . . rr_6qyu 1
. 7 . 706 . 1 1 6 LEU CD1 C 1.716 4.165 8.047 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD1 . . . . . . . . . rr_6qyu 1
. 7 . 707 . 1 1 6 LEU CD2 C 3.203 2.304 7.290 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD2 . . . . . . . . . rr_6qyu 1
. 7 . 708 . 1 1 6 LEU CG C 2.262 3.430 6.821 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CG . . . . . . . . . rr_6qyu 1
. 7 . 709 . 1 1 6 LEU H H 2.205 4.523 3.304 . . . 1.0 . . . . . . . . . . . . A . 6 LEU H . . . . . . . . . rr_6qyu 1
. 7 . 710 . 1 1 6 LEU HA H 0.137 3.241 4.114 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HA . . . . . . . . . rr_6qyu 1
. 7 . 711 . 1 1 6 LEU HB2 H 0.182 2.921 6.596 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB2 . . . . . . . . . rr_6qyu 1
. 7 . 712 . 1 1 6 LEU HB3 H 1.271 1.859 5.714 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB3 . . . . . . . . . rr_6qyu 1
. 7 . 713 . 1 1 6 LEU HD11 H 0.975 4.885 7.734 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD11 . . . . . . . . . rr_6qyu 1
. 7 . 714 . 1 1 6 LEU HD12 H 2.524 4.675 8.550 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD12 . . . . . . . . . rr_6qyu 1
. 7 . 715 . 1 1 6 LEU HD13 H 1.263 3.453 8.722 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD13 . . . . . . . . . rr_6qyu 1
. 7 . 716 . 1 1 6 LEU HD21 H 3.336 2.367 8.356 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD21 . . . . . . . . . rr_6qyu 1
. 7 . 717 . 1 1 6 LEU HD22 H 4.164 2.418 6.805 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD22 . . . . . . . . . rr_6qyu 1
. 7 . 718 . 1 1 6 LEU HD23 H 2.790 1.341 7.033 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD23 . . . . . . . . . rr_6qyu 1
. 7 . 719 . 1 1 6 LEU HG H 2.818 4.127 6.220 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HG . . . . . . . . . rr_6qyu 1
. 7 . 720 . 1 1 6 LEU N N 2.118 3.815 3.977 . . . 1.0 . . . . . . . . . . . . A . 6 LEU N . . . . . . . . . rr_6qyu 1
. 7 . 721 . 1 1 6 LEU O O -0.748 5.476 4.918 . . . 1.0 . . . . . . . . . . . . A . 6 LEU O . . . . . . . . . rr_6qyu 1
. 7 . 722 . 1 1 7 CYS C C 0.238 7.959 5.110 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . rr_6qyu 1
. 7 . 723 . 1 1 7 CYS CA C 1.108 7.211 6.108 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . rr_6qyu 1
. 7 . 724 . 1 1 7 CYS CB C 2.474 7.871 6.214 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . rr_6qyu 1
. 7 . 725 . 1 1 7 CYS H H 2.229 5.471 5.789 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . rr_6qyu 1
. 7 . 726 . 1 1 7 CYS HA H 0.636 7.215 7.070 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . rr_6qyu 1
. 7 . 727 . 1 1 7 CYS HB2 H 3.159 7.302 5.608 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . rr_6qyu 1
. 7 . 728 . 1 1 7 CYS HB3 H 2.430 8.888 5.860 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . rr_6qyu 1
. 7 . 729 . 1 1 7 CYS N N 1.338 5.848 5.678 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . rr_6qyu 1
. 7 . 730 . 1 1 7 CYS O O -0.664 8.707 5.487 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . rr_6qyu 1
. 7 . 731 . 1 1 7 CYS SG S 3.046 7.844 7.925 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . rr_6qyu 1
. 7 . 732 . 1 1 8 ALA C C -0.336 7.490 1.553 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_6qyu 1
. 7 . 733 . 1 1 8 ALA CA C -0.231 8.399 2.773 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_6qyu 1
. 7 . 734 . 1 1 8 ALA CB C 0.457 9.707 2.381 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_6qyu 1
. 7 . 735 . 1 1 8 ALA H H 1.253 7.139 3.608 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_6qyu 1
. 7 . 736 . 1 1 8 ALA HA H -1.224 8.622 3.131 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_6qyu 1
. 7 . 737 . 1 1 8 ALA HB1 H 1.524 9.605 2.513 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_6qyu 1
. 7 . 738 . 1 1 8 ALA HB2 H 0.092 10.507 3.009 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_6qyu 1
. 7 . 739 . 1 1 8 ALA HB3 H 0.242 9.932 1.348 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_6qyu 1
. 7 . 740 . 1 1 8 ALA N N 0.522 7.747 3.835 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_6qyu 1
. 7 . 741 . 1 1 8 ALA O O 0.644 7.382 0.833 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_6qyu 1
. 7 . 742 . 1 1 8 ALA OXT O -1.393 6.914 1.356 . . . 1.0 . . . . . . . . . . . . A . 8 ALA OXT . . . . . . . . . rr_6qyu 1
. 8 . 743 . 1 1 1 PHE C C 9.244 4.215 6.648 . . . 1.0 . . . . . . . . . . . . A . 1 PHE C . . . . . . . . . rr_6qyu 1
. 8 . 744 . 1 1 1 PHE CA C 10.016 3.281 5.724 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CA . . . . . . . . . rr_6qyu 1
. 8 . 745 . 1 1 1 PHE CB C 10.946 2.384 6.544 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CB . . . . . . . . . rr_6qyu 1
. 8 . 746 . 1 1 1 PHE CD1 C 10.001 2.216 8.876 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CD1 . . . . . . . . . rr_6qyu 1
. 8 . 747 . 1 1 1 PHE CD2 C 9.548 0.426 7.304 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CD2 . . . . . . . . . rr_6qyu 1
. 8 . 748 . 1 1 1 PHE CE1 C 9.259 1.544 9.854 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CE1 . . . . . . . . . rr_6qyu 1
. 8 . 749 . 1 1 1 PHE CE2 C 8.806 -0.246 8.284 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CE2 . . . . . . . . . rr_6qyu 1
. 8 . 750 . 1 1 1 PHE CG C 10.146 1.657 7.600 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CG . . . . . . . . . rr_6qyu 1
. 8 . 751 . 1 1 1 PHE CZ C 8.662 0.313 9.558 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CZ . . . . . . . . . rr_6qyu 1
. 8 . 752 . 1 1 1 PHE H1 H 10.534 5.085 4.821 . . . 1.0 . . . . . . . . . . . . A . 1 PHE H1 . . . . . . . . . rr_6qyu 1
. 8 . 753 . 1 1 1 PHE H2 H 10.679 3.734 3.801 . . . 1.0 . . . . . . . . . . . . A . 1 PHE H2 . . . . . . . . . rr_6qyu 1
. 8 . 754 . 1 1 1 PHE H3 H 11.834 4.013 5.016 . . . 1.0 . . . . . . . . . . . . A . 1 PHE H3 . . . . . . . . . rr_6qyu 1
. 8 . 755 . 1 1 1 PHE HA H 9.320 2.666 5.171 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HA . . . . . . . . . rr_6qyu 1
. 8 . 756 . 1 1 1 PHE HB2 H 11.419 1.663 5.892 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HB2 . . . . . . . . . rr_6qyu 1
. 8 . 757 . 1 1 1 PHE HB3 H 11.703 2.989 7.020 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HB3 . . . . . . . . . rr_6qyu 1
. 8 . 758 . 1 1 1 PHE HD1 H 10.462 3.166 9.104 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HD1 . . . . . . . . . rr_6qyu 1
. 8 . 759 . 1 1 1 PHE HD2 H 9.660 -0.006 6.320 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HD2 . . . . . . . . . rr_6qyu 1
. 8 . 760 . 1 1 1 PHE HE1 H 9.148 1.976 10.838 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HE1 . . . . . . . . . rr_6qyu 1
. 8 . 761 . 1 1 1 PHE HE2 H 8.346 -1.195 8.055 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HE2 . . . . . . . . . rr_6qyu 1
. 8 . 762 . 1 1 1 PHE HZ H 8.089 -0.205 10.314 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HZ . . . . . . . . . rr_6qyu 1
. 8 . 763 . 1 1 1 PHE N N 10.827 4.090 4.768 . . . 1.0 . . . . . . . . . . . . A . 1 PHE N . . . . . . . . . rr_6qyu 1
. 8 . 764 . 1 1 1 PHE O O 9.380 5.436 6.568 . . . 1.0 . . . . . . . . . . . . A . 1 PHE O . . . . . . . . . rr_6qyu 1
. 8 . 765 . 1 1 2 DHA C C 6.570 5.088 7.729 . . . 1.0 . . . . . . . . . . . . A . 2 DHA C . . . . . . . . . rr_6qyu 1
. 8 . 766 . 1 1 2 DHA CA C 7.678 4.421 8.412 . . . 1.0 . . . . . . . . . . . . A . 2 DHA CA . . . . . . . . . rr_6qyu 1
. 8 . 767 . 1 1 2 DHA CB C 7.848 4.635 9.712 . . . 1.0 . . . . . . . . . . . . A . 2 DHA CB . . . . . . . . . rr_6qyu 1
. 8 . 768 . 1 1 2 DHA H H 8.304 2.665 7.605 . . . 1.0 . . . . . . . . . . . . A . 2 DHA H . . . . . . . . . rr_6qyu 1
. 8 . 769 . 1 1 2 DHA HB1 H 8.644 4.173 10.219 . . . 1.0 . . . . . . . . . . . . A . 2 DHA HB1 . . . . . . . . . rr_6qyu 1
. 8 . 770 . 1 1 2 DHA HB2 H 7.172 5.279 10.254 . . . 1.0 . . . . . . . . . . . . A . 2 DHA HB2 . . . . . . . . . rr_6qyu 1
. 8 . 771 . 1 1 2 DHA N N 8.418 3.635 7.537 . . . 1.0 . . . . . . . . . . . . A . 2 DHA N . . . . . . . . . rr_6qyu 1
. 8 . 772 . 1 1 2 DHA O O 5.652 4.472 7.188 . . . 1.0 . . . . . . . . . . . . A . 2 DHA O . . . . . . . . . rr_6qyu 1
. 8 . 773 . 1 1 3 DAL C C 5.668 7.087 5.631 . . . 1.0 . . . . . . . . . . . . A . 3 DAL C . . . . . . . . . rr_6qyu 1
. 8 . 774 . 1 1 3 DAL CA C 5.548 7.153 7.156 . . . 1.0 . . . . . . . . . . . . A . 3 DAL CA . . . . . . . . . rr_6qyu 1
. 8 . 775 . 1 1 3 DAL CB C 4.236 6.553 7.643 . . . 1.0 . . . . . . . . . . . . A . 3 DAL CB . . . . . . . . . rr_6qyu 1
. 8 . 776 . 1 1 3 DAL H H 7.341 6.905 8.224 . . . 1.0 . . . . . . . . . . . . A . 3 DAL H . . . . . . . . . rr_6qyu 1
. 8 . 777 . 1 1 3 DAL HA H 5.598 8.175 7.471 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HA . . . . . . . . . rr_6qyu 1
. 8 . 778 . 1 1 3 DAL HB1 H 4.413 6.024 8.569 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HB1 . . . . . . . . . rr_6qyu 1
. 8 . 779 . 1 1 3 DAL HB2 H 3.871 5.864 6.913 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HB2 . . . . . . . . . rr_6qyu 1
. 8 . 780 . 1 1 3 DAL N N 6.617 6.421 7.771 . . . 1.0 . . . . . . . . . . . . A . 3 DAL N . . . . . . . . . rr_6qyu 1
. 8 . 781 . 1 1 3 DAL O O 5.050 7.871 4.912 . . . 1.0 . . . . . . . . . . . . A . 3 DAL O . . . . . . . . . rr_6qyu 1
. 8 . 782 . 1 1 4 LEU C C 5.803 5.007 3.059 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . rr_6qyu 1
. 8 . 783 . 1 1 4 LEU CA C 6.735 6.033 3.710 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . rr_6qyu 1
. 8 . 784 . 1 1 4 LEU CB C 8.188 5.624 3.460 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . rr_6qyu 1
. 8 . 785 . 1 1 4 LEU CD1 C 10.264 6.138 2.166 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . rr_6qyu 1
. 8 . 786 . 1 1 4 LEU CD2 C 8.032 6.307 1.060 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . rr_6qyu 1
. 8 . 787 . 1 1 4 LEU CG C 8.795 6.512 2.371 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . rr_6qyu 1
. 8 . 788 . 1 1 4 LEU H H 7.001 5.597 5.772 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . rr_6qyu 1
. 8 . 789 . 1 1 4 LEU HA H 6.565 6.991 3.243 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . rr_6qyu 1
. 8 . 790 . 1 1 4 LEU HB2 H 8.754 5.736 4.374 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . rr_6qyu 1
. 8 . 791 . 1 1 4 LEU HB3 H 8.222 4.593 3.142 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . rr_6qyu 1
. 8 . 792 . 1 1 4 LEU HD11 H 10.332 5.107 1.851 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . rr_6qyu 1
. 8 . 793 . 1 1 4 LEU HD12 H 10.801 6.268 3.093 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . rr_6qyu 1
. 8 . 794 . 1 1 4 LEU HD13 H 10.694 6.775 1.407 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . rr_6qyu 1
. 8 . 795 . 1 1 4 LEU HD21 H 7.750 5.269 0.966 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . rr_6qyu 1
. 8 . 796 . 1 1 4 LEU HD22 H 8.664 6.584 0.229 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . rr_6qyu 1
. 8 . 797 . 1 1 4 LEU HD23 H 7.145 6.923 1.059 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . rr_6qyu 1
. 8 . 798 . 1 1 4 LEU HG H 8.726 7.547 2.672 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . rr_6qyu 1
. 8 . 799 . 1 1 4 LEU N N 6.505 6.170 5.149 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . rr_6qyu 1
. 8 . 800 . 1 1 4 LEU O O 5.693 4.961 1.834 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . rr_6qyu 1
. 8 . 801 . 1 1 5 DHA C C 3.120 2.959 4.131 . . . 1.0 . . . . . . . . . . . . A . 5 DHA C . . . . . . . . . rr_6qyu 1
. 8 . 802 . 1 1 5 DHA CA C 4.263 3.229 3.290 . . . 1.0 . . . . . . . . . . . . A . 5 DHA CA . . . . . . . . . rr_6qyu 1
. 8 . 803 . 1 1 5 DHA CB C 4.345 2.622 2.134 . . . 1.0 . . . . . . . . . . . . A . 5 DHA CB . . . . . . . . . rr_6qyu 1
. 8 . 804 . 1 1 5 DHA H H 5.182 4.185 4.839 . . . 1.0 . . . . . . . . . . . . A . 5 DHA H . . . . . . . . . rr_6qyu 1
. 8 . 805 . 1 1 5 DHA HB1 H 5.155 2.821 1.515 . . . 1.0 . . . . . . . . . . . . A . 5 DHA HB1 . . . . . . . . . rr_6qyu 1
. 8 . 806 . 1 1 5 DHA HB2 H 3.590 1.912 1.829 . . . 1.0 . . . . . . . . . . . . A . 5 DHA HB2 . . . . . . . . . rr_6qyu 1
. 8 . 807 . 1 1 5 DHA N N 5.118 4.170 3.862 . . . 1.0 . . . . . . . . . . . . A . 5 DHA N . . . . . . . . . rr_6qyu 1
. 8 . 808 . 1 1 5 DHA O O 3.061 1.977 4.855 . . . 1.0 . . . . . . . . . . . . A . 5 DHA O . . . . . . . . . rr_6qyu 1
. 8 . 809 . 1 1 6 LEU C C 0.412 5.117 5.134 . . . 1.0 . . . . . . . . . . . . A . 6 LEU C . . . . . . . . . rr_6qyu 1
. 8 . 810 . 1 1 6 LEU CA C 0.911 3.737 4.745 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CA . . . . . . . . . rr_6qyu 1
. 8 . 811 . 1 1 6 LEU CB C 1.121 2.896 6.005 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CB . . . . . . . . . rr_6qyu 1
. 8 . 812 . 1 1 6 LEU CD1 C 1.853 4.109 8.070 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD1 . . . . . . . . . rr_6qyu 1
. 8 . 813 . 1 1 6 LEU CD2 C 3.283 2.258 7.196 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD2 . . . . . . . . . rr_6qyu 1
. 8 . 814 . 1 1 6 LEU CG C 2.339 3.410 6.800 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CG . . . . . . . . . rr_6qyu 1
. 8 . 815 . 1 1 6 LEU H H 2.256 4.602 3.362 . . . 1.0 . . . . . . . . . . . . A . 6 LEU H . . . . . . . . . rr_6qyu 1
. 8 . 816 . 1 1 6 LEU HA H 0.179 3.259 4.121 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HA . . . . . . . . . rr_6qyu 1
. 8 . 817 . 1 1 6 LEU HB2 H 0.241 2.968 6.625 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB2 . . . . . . . . . rr_6qyu 1
. 8 . 818 . 1 1 6 LEU HB3 H 1.273 1.876 5.713 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB3 . . . . . . . . . rr_6qyu 1
. 8 . 819 . 1 1 6 LEU HD11 H 1.284 3.414 8.670 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD11 . . . . . . . . . rr_6qyu 1
. 8 . 820 . 1 1 6 LEU HD12 H 1.228 4.948 7.804 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD12 . . . . . . . . . rr_6qyu 1
. 8 . 821 . 1 1 6 LEU HD13 H 2.704 4.460 8.636 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD13 . . . . . . . . . rr_6qyu 1
. 8 . 822 . 1 1 6 LEU HD21 H 3.473 2.298 8.256 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD21 . . . . . . . . . rr_6qyu 1
. 8 . 823 . 1 1 6 LEU HD22 H 4.220 2.365 6.665 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD22 . . . . . . . . . rr_6qyu 1
. 8 . 824 . 1 1 6 LEU HD23 H 2.839 1.307 6.947 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD23 . . . . . . . . . rr_6qyu 1
. 8 . 825 . 1 1 6 LEU HG H 2.880 4.118 6.196 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HG . . . . . . . . . rr_6qyu 1
. 8 . 826 . 1 1 6 LEU N N 2.151 3.858 3.993 . . . 1.0 . . . . . . . . . . . . A . 6 LEU N . . . . . . . . . rr_6qyu 1
. 8 . 827 . 1 1 6 LEU O O -0.731 5.491 4.871 . . . 1.0 . . . . . . . . . . . . A . 6 LEU O . . . . . . . . . rr_6qyu 1
. 8 . 828 . 1 1 7 CYS C C 0.104 7.922 5.212 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . rr_6qyu 1
. 8 . 829 . 1 1 7 CYS CA C 1.038 7.215 6.181 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . rr_6qyu 1
. 8 . 830 . 1 1 7 CYS CB C 2.377 7.932 6.247 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . rr_6qyu 1
. 8 . 831 . 1 1 7 CYS H H 2.195 5.490 5.899 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . rr_6qyu 1
. 8 . 832 . 1 1 7 CYS HA H 0.595 7.202 7.157 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . rr_6qyu 1
. 8 . 833 . 1 1 7 CYS HB2 H 3.059 7.418 5.589 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . rr_6qyu 1
. 8 . 834 . 1 1 7 CYS HB3 H 2.272 8.958 5.937 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . rr_6qyu 1
. 8 . 835 . 1 1 7 CYS N N 1.308 5.861 5.747 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . rr_6qyu 1
. 8 . 836 . 1 1 7 CYS O O -0.763 8.696 5.616 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . rr_6qyu 1
. 8 . 837 . 1 1 7 CYS SG S 3.022 7.865 7.929 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . rr_6qyu 1
. 8 . 838 . 1 1 8 ALA C C -0.735 7.282 1.738 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_6qyu 1
. 8 . 839 . 1 1 8 ALA CA C -0.538 8.250 2.900 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_6qyu 1
. 8 . 840 . 1 1 8 ALA CB C 0.119 9.537 2.399 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_6qyu 1
. 8 . 841 . 1 1 8 ALA H H 0.997 7.017 3.681 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_6qyu 1
. 8 . 842 . 1 1 8 ALA HA H -1.501 8.493 3.322 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_6qyu 1
. 8 . 843 . 1 1 8 ALA HB1 H 1.194 9.431 2.436 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_6qyu 1
. 8 . 844 . 1 1 8 ALA HB2 H -0.182 10.362 3.028 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_6qyu 1
. 8 . 845 . 1 1 8 ALA HB3 H -0.190 9.727 1.384 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_6qyu 1
. 8 . 846 . 1 1 8 ALA N N 0.290 7.644 3.933 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_6qyu 1
. 8 . 847 . 1 1 8 ALA O O -0.994 7.749 0.641 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_6qyu 1
. 8 . 848 . 1 1 8 ALA OXT O -0.620 6.088 1.962 . . . 1.0 . . . . . . . . . . . . A . 8 ALA OXT . . . . . . . . . rr_6qyu 1
. 9 . 849 . 1 1 1 PHE C C 9.196 2.629 7.879 . . . 1.0 . . . . . . . . . . . . A . 1 PHE C . . . . . . . . . rr_6qyu 1
. 9 . 850 . 1 1 1 PHE CA C 10.132 1.966 6.875 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CA . . . . . . . . . rr_6qyu 1
. 9 . 851 . 1 1 1 PHE CB C 9.356 0.979 6.001 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CB . . . . . . . . . rr_6qyu 1
. 9 . 852 . 1 1 1 PHE CD1 C 11.131 -0.513 5.013 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CD1 . . . . . . . . . rr_6qyu 1
. 9 . 853 . 1 1 1 PHE CD2 C 10.132 1.198 3.614 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CD2 . . . . . . . . . rr_6qyu 1
. 9 . 854 . 1 1 1 PHE CE1 C 11.941 -0.914 3.944 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CE1 . . . . . . . . . rr_6qyu 1
. 9 . 855 . 1 1 1 PHE CE2 C 10.943 0.796 2.545 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CE2 . . . . . . . . . rr_6qyu 1
. 9 . 856 . 1 1 1 PHE CG C 10.227 0.544 4.849 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CG . . . . . . . . . rr_6qyu 1
. 9 . 857 . 1 1 1 PHE CZ C 11.846 -0.261 2.710 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CZ . . . . . . . . . rr_6qyu 1
. 9 . 858 . 1 1 1 PHE H1 H 12.134 1.597 7.314 . . . 1.0 . . . . . . . . . . . . A . 1 PHE H1 . . . . . . . . . rr_6qyu 1
. 9 . 859 . 1 1 1 PHE H2 H 11.143 0.219 7.390 . . . 1.0 . . . . . . . . . . . . A . 1 PHE H2 . . . . . . . . . rr_6qyu 1
. 9 . 860 . 1 1 1 PHE H3 H 11.087 1.380 8.631 . . . 1.0 . . . . . . . . . . . . A . 1 PHE H3 . . . . . . . . . rr_6qyu 1
. 9 . 861 . 1 1 1 PHE HA H 10.580 2.724 6.249 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HA . . . . . . . . . rr_6qyu 1
. 9 . 862 . 1 1 1 PHE HB2 H 9.078 0.117 6.591 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HB2 . . . . . . . . . rr_6qyu 1
. 9 . 863 . 1 1 1 PHE HB3 H 8.466 1.456 5.620 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HB3 . . . . . . . . . rr_6qyu 1
. 9 . 864 . 1 1 1 PHE HD1 H 11.203 -1.017 5.965 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HD1 . . . . . . . . . rr_6qyu 1
. 9 . 865 . 1 1 1 PHE HD2 H 9.435 2.013 3.487 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HD2 . . . . . . . . . rr_6qyu 1
. 9 . 866 . 1 1 1 PHE HE1 H 12.638 -1.729 4.073 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HE1 . . . . . . . . . rr_6qyu 1
. 9 . 867 . 1 1 1 PHE HE2 H 10.869 1.301 1.593 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HE2 . . . . . . . . . rr_6qyu 1
. 9 . 868 . 1 1 1 PHE HZ H 12.471 -0.571 1.886 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HZ . . . . . . . . . rr_6qyu 1
. 9 . 869 . 1 1 1 PHE N N 11.205 1.235 7.608 . . . 1.0 . . . . . . . . . . . . A . 1 PHE N . . . . . . . . . rr_6qyu 1
. 9 . 870 . 1 1 1 PHE O O 8.890 2.061 8.927 . . . 1.0 . . . . . . . . . . . . A . 1 PHE O . . . . . . . . . rr_6qyu 1
. 9 . 871 . 1 1 2 DHA C C 6.749 5.128 7.717 . . . 1.0 . . . . . . . . . . . . A . 2 DHA C . . . . . . . . . rr_6qyu 1
. 9 . 872 . 1 1 2 DHA CA C 7.881 4.521 8.425 . . . 1.0 . . . . . . . . . . . . A . 2 DHA CA . . . . . . . . . rr_6qyu 1
. 9 . 873 . 1 1 2 DHA CB C 7.968 4.680 9.742 . . . 1.0 . . . . . . . . . . . . A . 2 DHA CB . . . . . . . . . rr_6qyu 1
. 9 . 874 . 1 1 2 DHA H H 8.976 4.312 6.726 . . . 1.0 . . . . . . . . . . . . A . 2 DHA H . . . . . . . . . rr_6qyu 1
. 9 . 875 . 1 1 2 DHA HB1 H 8.778 4.263 10.270 . . . 1.0 . . . . . . . . . . . . A . 2 DHA HB1 . . . . . . . . . rr_6qyu 1
. 9 . 876 . 1 1 2 DHA HB2 H 7.210 5.232 10.279 . . . 1.0 . . . . . . . . . . . . A . 2 DHA HB2 . . . . . . . . . rr_6qyu 1
. 9 . 877 . 1 1 2 DHA N N 8.735 3.852 7.557 . . . 1.0 . . . . . . . . . . . . A . 2 DHA N . . . . . . . . . rr_6qyu 1
. 9 . 878 . 1 1 2 DHA O O 5.903 4.467 7.115 . . . 1.0 . . . . . . . . . . . . A . 2 DHA O . . . . . . . . . rr_6qyu 1
. 9 . 879 . 1 1 3 DAL C C 5.695 7.104 5.677 . . . 1.0 . . . . . . . . . . . . A . 3 DAL C . . . . . . . . . rr_6qyu 1
. 9 . 880 . 1 1 3 DAL CA C 5.597 7.157 7.207 . . . 1.0 . . . . . . . . . . . . A . 3 DAL CA . . . . . . . . . rr_6qyu 1
. 9 . 881 . 1 1 3 DAL CB C 4.295 6.536 7.713 . . . 1.0 . . . . . . . . . . . . A . 3 DAL CB . . . . . . . . . rr_6qyu 1
. 9 . 882 . 1 1 3 DAL H H 7.360 6.966 8.331 . . . 1.0 . . . . . . . . . . . . A . 3 DAL H . . . . . . . . . rr_6qyu 1
. 9 . 883 . 1 1 3 DAL HA H 5.632 8.178 7.521 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HA . . . . . . . . . rr_6qyu 1
. 9 . 884 . 1 1 3 DAL HB1 H 4.481 6.056 8.664 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HB1 . . . . . . . . . rr_6qyu 1
. 9 . 885 . 1 1 3 DAL HB2 H 3.953 5.800 7.014 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HB2 . . . . . . . . . rr_6qyu 1
. 9 . 886 . 1 1 3 DAL N N 6.692 6.457 7.823 . . . 1.0 . . . . . . . . . . . . A . 3 DAL N . . . . . . . . . rr_6qyu 1
. 9 . 887 . 1 1 3 DAL O O 5.089 7.918 4.980 . . . 1.0 . . . . . . . . . . . . A . 3 DAL O . . . . . . . . . rr_6qyu 1
. 9 . 888 . 1 1 4 LEU C C 5.766 5.030 3.060 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . rr_6qyu 1
. 9 . 889 . 1 1 4 LEU CA C 6.685 6.072 3.707 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . rr_6qyu 1
. 9 . 890 . 1 1 4 LEU CB C 8.141 5.722 3.396 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . rr_6qyu 1
. 9 . 891 . 1 1 4 LEU CD1 C 9.826 6.404 1.678 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . rr_6qyu 1
. 9 . 892 . 1 1 4 LEU CD2 C 8.222 4.554 1.182 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . rr_6qyu 1
. 9 . 893 . 1 1 4 LEU CG C 8.399 5.898 1.896 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . rr_6qyu 1
. 9 . 894 . 1 1 4 LEU H H 6.994 5.574 5.757 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . rr_6qyu 1
. 9 . 895 . 1 1 4 LEU HA H 6.466 7.032 3.268 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . rr_6qyu 1
. 9 . 896 . 1 1 4 LEU HB2 H 8.795 6.377 3.953 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . rr_6qyu 1
. 9 . 897 . 1 1 4 LEU HB3 H 8.334 4.696 3.675 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . rr_6qyu 1
. 9 . 898 . 1 1 4 LEU HD11 H 9.993 7.281 2.285 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . rr_6qyu 1
. 9 . 899 . 1 1 4 LEU HD12 H 9.963 6.657 0.637 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . rr_6qyu 1
. 9 . 900 . 1 1 4 LEU HD13 H 10.529 5.634 1.956 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . rr_6qyu 1
. 9 . 901 . 1 1 4 LEU HD21 H 9.186 4.085 1.053 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . rr_6qyu 1
. 9 . 902 . 1 1 4 LEU HD22 H 7.769 4.717 0.216 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . rr_6qyu 1
. 9 . 903 . 1 1 4 LEU HD23 H 7.586 3.912 1.774 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . rr_6qyu 1
. 9 . 904 . 1 1 4 LEU HG H 7.698 6.616 1.494 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . rr_6qyu 1
. 9 . 905 . 1 1 4 LEU N N 6.497 6.174 5.157 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . rr_6qyu 1
. 9 . 906 . 1 1 4 LEU O O 5.654 4.979 1.835 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . rr_6qyu 1
. 9 . 907 . 1 1 5 DHA C C 3.114 2.975 4.164 . . . 1.0 . . . . . . . . . . . . A . 5 DHA C . . . . . . . . . rr_6qyu 1
. 9 . 908 . 1 1 5 DHA CA C 4.246 3.239 3.310 . . . 1.0 . . . . . . . . . . . . A . 5 DHA CA . . . . . . . . . rr_6qyu 1
. 9 . 909 . 1 1 5 DHA CB C 4.330 2.613 2.163 . . . 1.0 . . . . . . . . . . . . A . 5 DHA CB . . . . . . . . . rr_6qyu 1
. 9 . 910 . 1 1 5 DHA H H 5.158 4.216 4.844 . . . 1.0 . . . . . . . . . . . . A . 5 DHA H . . . . . . . . . rr_6qyu 1
. 9 . 911 . 1 1 5 DHA HB1 H 5.135 2.808 1.538 . . . 1.0 . . . . . . . . . . . . A . 5 DHA HB1 . . . . . . . . . rr_6qyu 1
. 9 . 912 . 1 1 5 DHA HB2 H 3.579 1.893 1.872 . . . 1.0 . . . . . . . . . . . . A . 5 DHA HB2 . . . . . . . . . rr_6qyu 1
. 9 . 913 . 1 1 5 DHA N N 5.093 4.193 3.868 . . . 1.0 . . . . . . . . . . . . A . 5 DHA N . . . . . . . . . rr_6qyu 1
. 9 . 914 . 1 1 5 DHA O O 3.103 2.042 4.944 . . . 1.0 . . . . . . . . . . . . A . 5 DHA O . . . . . . . . . rr_6qyu 1
. 9 . 915 . 1 1 6 LEU C C 0.386 5.072 5.171 . . . 1.0 . . . . . . . . . . . . A . 6 LEU C . . . . . . . . . rr_6qyu 1
. 9 . 916 . 1 1 6 LEU CA C 0.868 3.697 4.741 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CA . . . . . . . . . rr_6qyu 1
. 9 . 917 . 1 1 6 LEU CB C 1.084 2.842 5.991 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CB . . . . . . . . . rr_6qyu 1
. 9 . 918 . 1 1 6 LEU CD1 C 1.684 4.102 8.070 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD1 . . . . . . . . . rr_6qyu 1
. 9 . 919 . 1 1 6 LEU CD2 C 3.225 2.304 7.272 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD2 . . . . . . . . . rr_6qyu 1
. 9 . 920 . 1 1 6 LEU CG C 2.249 3.411 6.827 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CG . . . . . . . . . rr_6qyu 1
. 9 . 921 . 1 1 6 LEU H H 2.179 4.529 3.294 . . . 1.0 . . . . . . . . . . . . A . 6 LEU H . . . . . . . . . rr_6qyu 1
. 9 . 922 . 1 1 6 LEU HA H 0.126 3.236 4.119 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HA . . . . . . . . . rr_6qyu 1
. 9 . 923 . 1 1 6 LEU HB2 H 0.182 2.860 6.585 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB2 . . . . . . . . . rr_6qyu 1
. 9 . 924 . 1 1 6 LEU HB3 H 1.296 1.835 5.691 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB3 . . . . . . . . . rr_6qyu 1
. 9 . 925 . 1 1 6 LEU HD11 H 0.985 3.443 8.563 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD11 . . . . . . . . . rr_6qyu 1
. 9 . 926 . 1 1 6 LEU HD12 H 1.178 5.010 7.778 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD12 . . . . . . . . . rr_6qyu 1
. 9 . 927 . 1 1 6 LEU HD13 H 2.492 4.343 8.746 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD13 . . . . . . . . . rr_6qyu 1
. 9 . 928 . 1 1 6 LEU HD21 H 4.183 2.462 6.792 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD21 . . . . . . . . . rr_6qyu 1
. 9 . 929 . 1 1 6 LEU HD22 H 2.843 1.334 6.994 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD22 . . . . . . . . . rr_6qyu 1
. 9 . 930 . 1 1 6 LEU HD23 H 3.353 2.345 8.340 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD23 . . . . . . . . . rr_6qyu 1
. 9 . 931 . 1 1 6 LEU HG H 2.784 4.137 6.238 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HG . . . . . . . . . rr_6qyu 1
. 9 . 932 . 1 1 6 LEU N N 2.104 3.822 3.974 . . . 1.0 . . . . . . . . . . . . A . 6 LEU N . . . . . . . . . rr_6qyu 1
. 9 . 933 . 1 1 6 LEU O O -0.795 5.406 5.068 . . . 1.0 . . . . . . . . . . . . A . 6 LEU O . . . . . . . . . rr_6qyu 1
. 9 . 934 . 1 1 7 CYS C C 0.206 7.992 5.162 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . rr_6qyu 1
. 9 . 935 . 1 1 7 CYS CA C 1.099 7.203 6.117 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . rr_6qyu 1
. 9 . 936 . 1 1 7 CYS CB C 2.462 7.863 6.226 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . rr_6qyu 1
. 9 . 937 . 1 1 7 CYS H H 2.242 5.502 5.695 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . rr_6qyu 1
. 9 . 938 . 1 1 7 CYS HA H 0.642 7.174 7.091 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . rr_6qyu 1
. 9 . 939 . 1 1 7 CYS HB2 H 3.148 7.299 5.614 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . rr_6qyu 1
. 9 . 940 . 1 1 7 CYS HB3 H 2.414 8.883 5.880 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . rr_6qyu 1
. 9 . 941 . 1 1 7 CYS N N 1.333 5.850 5.652 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . rr_6qyu 1
. 9 . 942 . 1 1 7 CYS O O -0.103 9.157 5.415 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . rr_6qyu 1
. 9 . 943 . 1 1 7 CYS SG S 3.035 7.820 7.934 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . rr_6qyu 1
. 9 . 944 . 1 1 8 ALA C C -1.874 9.124 3.732 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_6qyu 1
. 9 . 945 . 1 1 8 ALA CA C -1.059 8.006 3.088 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_6qyu 1
. 9 . 946 . 1 1 8 ALA CB C -2.007 6.974 2.478 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_6qyu 1
. 9 . 947 . 1 1 8 ALA H H 0.076 6.431 3.922 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_6qyu 1
. 9 . 948 . 1 1 8 ALA HA H -0.445 8.423 2.306 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_6qyu 1
. 9 . 949 . 1 1 8 ALA HB1 H -2.418 7.363 1.560 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_6qyu 1
. 9 . 950 . 1 1 8 ALA HB2 H -2.808 6.769 3.174 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_6qyu 1
. 9 . 951 . 1 1 8 ALA HB3 H -1.464 6.064 2.275 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_6qyu 1
. 9 . 952 . 1 1 8 ALA N N -0.203 7.355 4.071 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_6qyu 1
. 9 . 953 . 1 1 8 ALA O O -2.845 8.812 4.403 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_6qyu 1
. 9 . 954 . 1 1 8 ALA OXT O -1.516 10.274 3.544 . . . 1.0 . . . . . . . . . . . . A . 8 ALA OXT . . . . . . . . . rr_6qyu 1
. 10 . 955 . 1 1 1 PHE C C 9.639 3.369 7.676 . . . 1.0 . . . . . . . . . . . . A . 1 PHE C . . . . . . . . . rr_6qyu 1
. 10 . 956 . 1 1 1 PHE CA C 10.235 2.352 6.708 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CA . . . . . . . . . rr_6qyu 1
. 10 . 957 . 1 1 1 PHE CB C 10.244 2.923 5.287 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CB . . . . . . . . . rr_6qyu 1
. 10 . 958 . 1 1 1 PHE CD1 C 11.003 1.394 3.431 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CD1 . . . . . . . . . rr_6qyu 1
. 10 . 959 . 1 1 1 PHE CD2 C 12.680 2.505 4.787 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CD2 . . . . . . . . . rr_6qyu 1
. 10 . 960 . 1 1 1 PHE CE1 C 12.016 0.778 2.686 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CE1 . . . . . . . . . rr_6qyu 1
. 10 . 961 . 1 1 1 PHE CE2 C 13.691 1.888 4.042 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CE2 . . . . . . . . . rr_6qyu 1
. 10 . 962 . 1 1 1 PHE CG C 11.336 2.258 4.482 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CG . . . . . . . . . rr_6qyu 1
. 10 . 963 . 1 1 1 PHE CZ C 13.359 1.025 2.991 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CZ . . . . . . . . . rr_6qyu 1
. 10 . 964 . 1 1 1 PHE H1 H 9.283 0.802 7.718 . . . 1.0 . . . . . . . . . . . . A . 1 PHE H1 . . . . . . . . . rr_6qyu 1
. 10 . 965 . 1 1 1 PHE H2 H 9.902 0.361 6.199 . . . 1.0 . . . . . . . . . . . . A . 1 PHE H2 . . . . . . . . . rr_6qyu 1
. 10 . 966 . 1 1 1 PHE H3 H 8.488 1.297 6.304 . . . 1.0 . . . . . . . . . . . . A . 1 PHE H3 . . . . . . . . . rr_6qyu 1
. 10 . 967 . 1 1 1 PHE HA H 11.247 2.121 7.008 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HA . . . . . . . . . rr_6qyu 1
. 10 . 968 . 1 1 1 PHE HB2 H 9.288 2.739 4.820 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HB2 . . . . . . . . . rr_6qyu 1
. 10 . 969 . 1 1 1 PHE HB3 H 10.425 3.987 5.328 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HB3 . . . . . . . . . rr_6qyu 1
. 10 . 970 . 1 1 1 PHE HD1 H 9.967 1.204 3.196 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HD1 . . . . . . . . . rr_6qyu 1
. 10 . 971 . 1 1 1 PHE HD2 H 12.936 3.171 5.598 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HD2 . . . . . . . . . rr_6qyu 1
. 10 . 972 . 1 1 1 PHE HE1 H 11.760 0.112 1.875 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HE1 . . . . . . . . . rr_6qyu 1
. 10 . 973 . 1 1 1 PHE HE2 H 14.728 2.079 4.276 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HE2 . . . . . . . . . rr_6qyu 1
. 10 . 974 . 1 1 1 PHE HZ H 14.139 0.549 2.416 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HZ . . . . . . . . . rr_6qyu 1
. 10 . 975 . 1 1 1 PHE N N 9.415 1.109 6.733 . . . 1.0 . . . . . . . . . . . . A . 1 PHE N . . . . . . . . . rr_6qyu 1
. 10 . 976 . 1 1 1 PHE O O 10.359 4.015 8.436 . . . 1.0 . . . . . . . . . . . . A . 1 PHE O . . . . . . . . . rr_6qyu 1
. 10 . 977 . 1 1 2 DHA C C 6.553 5.081 7.843 . . . 1.0 . . . . . . . . . . . . A . 2 DHA C . . . . . . . . . rr_6qyu 1
. 10 . 978 . 1 1 2 DHA CA C 7.677 4.411 8.502 . . . 1.0 . . . . . . . . . . . . A . 2 DHA CA . . . . . . . . . rr_6qyu 1
. 10 . 979 . 1 1 2 DHA CB C 7.963 4.723 9.762 . . . 1.0 . . . . . . . . . . . . A . 2 DHA CB . . . . . . . . . rr_6qyu 1
. 10 . 980 . 1 1 2 DHA H H 7.724 2.993 7.047 . . . 1.0 . . . . . . . . . . . . A . 2 DHA H . . . . . . . . . rr_6qyu 1
. 10 . 981 . 1 1 2 DHA HB1 H 8.772 4.258 10.245 . . . 1.0 . . . . . . . . . . . . A . 2 DHA HB1 . . . . . . . . . rr_6qyu 1
. 10 . 982 . 1 1 2 DHA HB2 H 7.368 5.451 10.295 . . . 1.0 . . . . . . . . . . . . A . 2 DHA HB2 . . . . . . . . . rr_6qyu 1
. 10 . 983 . 1 1 2 DHA N N 8.302 3.508 7.649 . . . 1.0 . . . . . . . . . . . . A . 2 DHA N . . . . . . . . . rr_6qyu 1
. 10 . 984 . 1 1 2 DHA O O 5.580 4.468 7.403 . . . 1.0 . . . . . . . . . . . . A . 2 DHA O . . . . . . . . . rr_6qyu 1
. 10 . 985 . 1 1 3 DAL C C 5.679 7.101 5.659 . . . 1.0 . . . . . . . . . . . . A . 3 DAL C . . . . . . . . . rr_6qyu 1
. 10 . 986 . 1 1 3 DAL CA C 5.578 7.149 7.185 . . . 1.0 . . . . . . . . . . . . A . 3 DAL CA . . . . . . . . . rr_6qyu 1
. 10 . 987 . 1 1 3 DAL CB C 4.265 6.552 7.684 . . . 1.0 . . . . . . . . . . . . A . 3 DAL CB . . . . . . . . . rr_6qyu 1
. 10 . 988 . 1 1 3 DAL H H 7.424 6.894 8.157 . . . 1.0 . . . . . . . . . . . . A . 3 DAL H . . . . . . . . . rr_6qyu 1
. 10 . 989 . 1 1 3 DAL HA H 5.636 8.168 7.508 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HA . . . . . . . . . rr_6qyu 1
. 10 . 990 . 1 1 3 DAL HB1 H 4.438 6.059 8.630 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HB1 . . . . . . . . . rr_6qyu 1
. 10 . 991 . 1 1 3 DAL HB2 H 3.910 5.833 6.977 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HB2 . . . . . . . . . rr_6qyu 1
. 10 . 992 . 1 1 3 DAL N N 6.654 6.410 7.787 . . . 1.0 . . . . . . . . . . . . A . 3 DAL N . . . . . . . . . rr_6qyu 1
. 10 . 993 . 1 1 3 DAL O O 5.067 7.908 4.960 . . . 1.0 . . . . . . . . . . . . A . 3 DAL O . . . . . . . . . rr_6qyu 1
. 10 . 994 . 1 1 4 LEU C C 5.785 5.014 3.056 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . rr_6qyu 1
. 10 . 995 . 1 1 4 LEU CA C 6.698 6.066 3.703 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . rr_6qyu 1
. 10 . 996 . 1 1 4 LEU CB C 8.159 5.713 3.416 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . rr_6qyu 1
. 10 . 997 . 1 1 4 LEU CD1 C 9.624 6.564 1.575 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . rr_6qyu 1
. 10 . 998 . 1 1 4 LEU CD2 C 8.648 4.269 1.435 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . rr_6qyu 1
. 10 . 999 . 1 1 4 LEU CG C 8.400 5.705 1.904 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . rr_6qyu 1
. 10 . 1000 . 1 1 4 LEU H H 6.991 5.585 5.754 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . rr_6qyu 1
. 10 . 1001 . 1 1 4 LEU HA H 6.486 7.022 3.253 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . rr_6qyu 1
. 10 . 1002 . 1 1 4 LEU HB2 H 8.803 6.447 3.879 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . rr_6qyu 1
. 10 . 1003 . 1 1 4 LEU HB3 H 8.379 4.736 3.820 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . rr_6qyu 1
. 10 . 1004 . 1 1 4 LEU HD11 H 9.815 6.525 0.513 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . rr_6qyu 1
. 10 . 1005 . 1 1 4 LEU HD12 H 10.483 6.187 2.110 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . rr_6qyu 1
. 10 . 1006 . 1 1 4 LEU HD13 H 9.436 7.585 1.870 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . rr_6qyu 1
. 10 . 1007 . 1 1 4 LEU HD21 H 7.924 3.610 1.892 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . rr_6qyu 1
. 10 . 1008 . 1 1 4 LEU HD22 H 9.643 3.963 1.722 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . rr_6qyu 1
. 10 . 1009 . 1 1 4 LEU HD23 H 8.552 4.218 0.360 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . rr_6qyu 1
. 10 . 1010 . 1 1 4 LEU HG H 7.534 6.106 1.398 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . rr_6qyu 1
. 10 . 1011 . 1 1 4 LEU N N 6.494 6.177 5.148 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . rr_6qyu 1
. 10 . 1012 . 1 1 4 LEU O O 5.690 4.949 1.831 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . rr_6qyu 1
. 10 . 1013 . 1 1 5 DHA C C 3.115 2.959 4.156 . . . 1.0 . . . . . . . . . . . . A . 5 DHA C . . . . . . . . . rr_6qyu 1
. 10 . 1014 . 1 1 5 DHA CA C 4.260 3.220 3.312 . . . 1.0 . . . . . . . . . . . . A . 5 DHA CA . . . . . . . . . rr_6qyu 1
. 10 . 1015 . 1 1 5 DHA CB C 4.354 2.584 2.174 . . . 1.0 . . . . . . . . . . . . A . 5 DHA CB . . . . . . . . . rr_6qyu 1
. 10 . 1016 . 1 1 5 DHA H H 5.154 4.218 4.844 . . . 1.0 . . . . . . . . . . . . A . 5 DHA H . . . . . . . . . rr_6qyu 1
. 10 . 1017 . 1 1 5 DHA HB1 H 5.165 2.775 1.555 . . . 1.0 . . . . . . . . . . . . A . 5 DHA HB1 . . . . . . . . . rr_6qyu 1
. 10 . 1018 . 1 1 5 DHA HB2 H 3.608 1.860 1.883 . . . 1.0 . . . . . . . . . . . . A . 5 DHA HB2 . . . . . . . . . rr_6qyu 1
. 10 . 1019 . 1 1 5 DHA N N 5.101 4.184 3.868 . . . 1.0 . . . . . . . . . . . . A . 5 DHA N . . . . . . . . . rr_6qyu 1
. 10 . 1020 . 1 1 5 DHA O O 3.074 2.007 4.917 . . . 1.0 . . . . . . . . . . . . A . 5 DHA O . . . . . . . . . rr_6qyu 1
. 10 . 1021 . 1 1 6 LEU C C 0.402 5.109 5.127 . . . 1.0 . . . . . . . . . . . . A . 6 LEU C . . . . . . . . . rr_6qyu 1
. 10 . 1022 . 1 1 6 LEU CA C 0.887 3.723 4.734 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CA . . . . . . . . . rr_6qyu 1
. 10 . 1023 . 1 1 6 LEU CB C 1.091 2.886 5.997 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CB . . . . . . . . . rr_6qyu 1
. 10 . 1024 . 1 1 6 LEU CD1 C 1.759 4.155 8.048 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD1 . . . . . . . . . rr_6qyu 1
. 10 . 1025 . 1 1 6 LEU CD2 C 3.224 2.290 7.258 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD2 . . . . . . . . . rr_6qyu 1
. 10 . 1026 . 1 1 6 LEU CG C 2.286 3.428 6.810 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CG . . . . . . . . . rr_6qyu 1
. 10 . 1027 . 1 1 6 LEU H H 2.225 4.558 3.324 . . . 1.0 . . . . . . . . . . . . A . 6 LEU H . . . . . . . . . rr_6qyu 1
. 10 . 1028 . 1 1 6 LEU HA H 0.151 3.251 4.111 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HA . . . . . . . . . rr_6qyu 1
. 10 . 1029 . 1 1 6 LEU HB2 H 0.199 2.942 6.602 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB2 . . . . . . . . . rr_6qyu 1
. 10 . 1030 . 1 1 6 LEU HB3 H 1.269 1.868 5.709 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB3 . . . . . . . . . rr_6qyu 1
. 10 . 1031 . 1 1 6 LEU HD11 H 1.044 4.905 7.747 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD11 . . . . . . . . . rr_6qyu 1
. 10 . 1032 . 1 1 6 LEU HD12 H 2.581 4.629 8.564 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD12 . . . . . . . . . rr_6qyu 1
. 10 . 1033 . 1 1 6 LEU HD13 H 1.282 3.444 8.708 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD13 . . . . . . . . . rr_6qyu 1
. 10 . 1034 . 1 1 6 LEU HD21 H 2.794 1.332 7.014 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD21 . . . . . . . . . rr_6qyu 1
. 10 . 1035 . 1 1 6 LEU HD22 H 3.381 2.351 8.322 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD22 . . . . . . . . . rr_6qyu 1
. 10 . 1036 . 1 1 6 LEU HD23 H 4.175 2.394 6.752 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD23 . . . . . . . . . rr_6qyu 1
. 10 . 1037 . 1 1 6 LEU HG H 2.839 4.124 6.207 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HG . . . . . . . . . rr_6qyu 1
. 10 . 1038 . 1 1 6 LEU N N 2.128 3.835 3.981 . . . 1.0 . . . . . . . . . . . . A . 6 LEU N . . . . . . . . . rr_6qyu 1
. 10 . 1039 . 1 1 6 LEU O O -0.748 5.485 4.896 . . . 1.0 . . . . . . . . . . . . A . 6 LEU O . . . . . . . . . rr_6qyu 1
. 10 . 1040 . 1 1 7 CYS C C 0.149 7.942 5.185 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . rr_6qyu 1
. 10 . 1041 . 1 1 7 CYS CA C 1.074 7.209 6.148 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . rr_6qyu 1
. 10 . 1042 . 1 1 7 CYS CB C 2.428 7.894 6.218 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . rr_6qyu 1
. 10 . 1043 . 1 1 7 CYS H H 2.206 5.475 5.837 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . rr_6qyu 1
. 10 . 1044 . 1 1 7 CYS HA H 0.633 7.197 7.124 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . rr_6qyu 1
. 10 . 1045 . 1 1 7 CYS HB2 H 3.109 7.344 5.591 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . rr_6qyu 1
. 10 . 1046 . 1 1 7 CYS HB3 H 2.356 8.913 5.876 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . rr_6qyu 1
. 10 . 1047 . 1 1 7 CYS N N 1.318 5.851 5.708 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . rr_6qyu 1
. 10 . 1048 . 1 1 7 CYS O O -0.807 8.597 5.598 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . rr_6qyu 1
. 10 . 1049 . 1 1 7 CYS SG S 3.037 7.864 7.916 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . rr_6qyu 1
. 10 . 1050 . 1 1 8 ALA C C -0.402 7.629 1.606 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_6qyu 1
. 10 . 1051 . 1 1 8 ALA CA C -0.363 8.474 2.876 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_6qyu 1
. 10 . 1052 . 1 1 8 ALA CB C 0.212 9.856 2.561 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_6qyu 1
. 10 . 1053 . 1 1 8 ALA H H 1.217 7.285 3.640 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_6qyu 1
. 10 . 1054 . 1 1 8 ALA HA H -1.370 8.593 3.247 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_6qyu 1
. 10 . 1055 . 1 1 8 ALA HB1 H -0.577 10.592 2.601 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_6qyu 1
. 10 . 1056 . 1 1 8 ALA HB2 H 0.647 9.847 1.572 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_6qyu 1
. 10 . 1057 . 1 1 8 ALA HB3 H 0.973 10.103 3.286 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_6qyu 1
. 10 . 1058 . 1 1 8 ALA N N 0.444 7.823 3.902 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_6qyu 1
. 10 . 1059 . 1 1 8 ALA O O -1.468 7.518 1.024 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_6qyu 1
. 10 . 1060 . 1 1 8 ALA OXT O 0.637 7.107 1.234 . . . 1.0 . . . . . . . . . . . . A . 8 ALA OXT . . . . . . . . . rr_6qyu 1
. 11 . 1061 . 1 1 1 PHE C C 8.769 2.326 7.769 . . . 1.0 . . . . . . . . . . . . A . 1 PHE C . . . . . . . . . rr_6qyu 1
. 11 . 1062 . 1 1 1 PHE CA C 9.513 1.516 6.713 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CA . . . . . . . . . rr_6qyu 1
. 11 . 1063 . 1 1 1 PHE CB C 10.964 1.989 6.617 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CB . . . . . . . . . rr_6qyu 1
. 11 . 1064 . 1 1 1 PHE CD1 C 12.188 0.104 5.477 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CD1 . . . . . . . . . rr_6qyu 1
. 11 . 1065 . 1 1 1 PHE CD2 C 11.636 2.083 4.190 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CD2 . . . . . . . . . rr_6qyu 1
. 11 . 1066 . 1 1 1 PHE CE1 C 12.787 -0.464 4.346 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CE1 . . . . . . . . . rr_6qyu 1
. 11 . 1067 . 1 1 1 PHE CE2 C 12.235 1.516 3.059 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CE2 . . . . . . . . . rr_6qyu 1
. 11 . 1068 . 1 1 1 PHE CG C 11.612 1.378 5.398 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CG . . . . . . . . . rr_6qyu 1
. 11 . 1069 . 1 1 1 PHE CZ C 12.812 0.242 3.137 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CZ . . . . . . . . . rr_6qyu 1
. 11 . 1070 . 1 1 1 PHE H1 H 9.431 2.309 4.790 . . . 1.0 . . . . . . . . . . . . A . 1 PHE H1 . . . . . . . . . rr_6qyu 1
. 11 . 1071 . 1 1 1 PHE H2 H 7.913 2.138 5.535 . . . 1.0 . . . . . . . . . . . . A . 1 PHE H2 . . . . . . . . . rr_6qyu 1
. 11 . 1072 . 1 1 1 PHE H3 H 8.727 0.773 4.934 . . . 1.0 . . . . . . . . . . . . A . 1 PHE H3 . . . . . . . . . rr_6qyu 1
. 11 . 1073 . 1 1 1 PHE HA H 9.492 0.471 6.983 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HA . . . . . . . . . rr_6qyu 1
. 11 . 1074 . 1 1 1 PHE HB2 H 10.988 3.066 6.537 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HB2 . . . . . . . . . rr_6qyu 1
. 11 . 1075 . 1 1 1 PHE HB3 H 11.502 1.682 7.502 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HB3 . . . . . . . . . rr_6qyu 1
. 11 . 1076 . 1 1 1 PHE HD1 H 12.170 -0.441 6.409 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HD1 . . . . . . . . . rr_6qyu 1
. 11 . 1077 . 1 1 1 PHE HD2 H 11.192 3.067 4.129 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HD2 . . . . . . . . . rr_6qyu 1
. 11 . 1078 . 1 1 1 PHE HE1 H 13.232 -1.446 4.406 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HE1 . . . . . . . . . rr_6qyu 1
. 11 . 1079 . 1 1 1 PHE HE2 H 12.254 2.061 2.127 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HE2 . . . . . . . . . rr_6qyu 1
. 11 . 1080 . 1 1 1 PHE HZ H 13.274 -0.196 2.265 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HZ . . . . . . . . . rr_6qyu 1
. 11 . 1081 . 1 1 1 PHE N N 8.846 1.698 5.393 . . . 1.0 . . . . . . . . . . . . A . 1 PHE N . . . . . . . . . rr_6qyu 1
. 11 . 1082 . 1 1 1 PHE O O 8.455 1.821 8.846 . . . 1.0 . . . . . . . . . . . . A . 1 PHE O . . . . . . . . . rr_6qyu 1
. 11 . 1083 . 1 1 2 DHA C C 6.656 5.071 7.740 . . . 1.0 . . . . . . . . . . . . A . 2 DHA C . . . . . . . . . rr_6qyu 1
. 11 . 1084 . 1 1 2 DHA CA C 7.803 4.405 8.364 . . . 1.0 . . . . . . . . . . . . A . 2 DHA CA . . . . . . . . . rr_6qyu 1
. 11 . 1085 . 1 1 2 DHA CB C 8.060 4.633 9.649 . . . 1.0 . . . . . . . . . . . . A . 2 DHA CB . . . . . . . . . rr_6qyu 1
. 11 . 1086 . 1 1 2 DHA H H 8.727 4.009 6.598 . . . 1.0 . . . . . . . . . . . . A . 2 DHA H . . . . . . . . . rr_6qyu 1
. 11 . 1087 . 1 1 2 DHA HB1 H 8.886 4.169 10.108 . . . 1.0 . . . . . . . . . . . . A . 2 DHA HB1 . . . . . . . . . rr_6qyu 1
. 11 . 1088 . 1 1 2 DHA HB2 H 7.426 5.288 10.228 . . . 1.0 . . . . . . . . . . . . A . 2 DHA HB2 . . . . . . . . . rr_6qyu 1
. 11 . 1089 . 1 1 2 DHA N N 8.481 3.602 7.455 . . . 1.0 . . . . . . . . . . . . A . 2 DHA N . . . . . . . . . rr_6qyu 1
. 11 . 1090 . 1 1 2 DHA O O 5.714 4.453 7.245 . . . 1.0 . . . . . . . . . . . . A . 2 DHA O . . . . . . . . . rr_6qyu 1
. 11 . 1091 . 1 1 3 DAL C C 5.684 7.121 5.687 . . . 1.0 . . . . . . . . . . . . A . 3 DAL C . . . . . . . . . rr_6qyu 1
. 11 . 1092 . 1 1 3 DAL CA C 5.608 7.143 7.214 . . . 1.0 . . . . . . . . . . . . A . 3 DAL CA . . . . . . . . . rr_6qyu 1
. 11 . 1093 . 1 1 3 DAL CB C 4.306 6.525 7.725 . . . 1.0 . . . . . . . . . . . . A . 3 DAL CB . . . . . . . . . rr_6qyu 1
. 11 . 1094 . 1 1 3 DAL H H 7.453 6.888 8.187 . . . 1.0 . . . . . . . . . . . . A . 3 DAL H . . . . . . . . . rr_6qyu 1
. 11 . 1095 . 1 1 3 DAL HA H 5.668 8.155 7.554 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HA . . . . . . . . . rr_6qyu 1
. 11 . 1096 . 1 1 3 DAL HB1 H 4.493 6.051 8.678 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HB1 . . . . . . . . . rr_6qyu 1
. 11 . 1097 . 1 1 3 DAL HB2 H 3.965 5.785 7.030 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HB2 . . . . . . . . . rr_6qyu 1
. 11 . 1098 . 1 1 3 DAL N N 6.705 6.403 7.778 . . . 1.0 . . . . . . . . . . . . A . 3 DAL N . . . . . . . . . rr_6qyu 1
. 11 . 1099 . 1 1 3 DAL O O 5.077 7.951 5.010 . . . 1.0 . . . . . . . . . . . . A . 3 DAL O . . . . . . . . . rr_6qyu 1
. 11 . 1100 . 1 1 4 LEU C C 5.742 5.040 3.062 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . rr_6qyu 1
. 11 . 1101 . 1 1 4 LEU CA C 6.652 6.098 3.700 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . rr_6qyu 1
. 11 . 1102 . 1 1 4 LEU CB C 8.110 5.770 3.379 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . rr_6qyu 1
. 11 . 1103 . 1 1 4 LEU CD1 C 9.440 7.163 1.781 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . rr_6qyu 1
. 11 . 1104 . 1 1 4 LEU CD2 C 8.905 4.789 1.221 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . rr_6qyu 1
. 11 . 1105 . 1 1 4 LEU CG C 8.387 6.059 1.900 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . rr_6qyu 1
. 11 . 1106 . 1 1 4 LEU H H 6.970 5.583 5.740 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . rr_6qyu 1
. 11 . 1107 . 1 1 4 LEU HA H 6.416 7.056 3.264 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . rr_6qyu 1
. 11 . 1108 . 1 1 4 LEU HB2 H 8.759 6.378 3.993 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . rr_6qyu 1
. 11 . 1109 . 1 1 4 LEU HB3 H 8.297 4.726 3.581 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . rr_6qyu 1
. 11 . 1110 . 1 1 4 LEU HD11 H 9.762 7.243 0.753 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . rr_6qyu 1
. 11 . 1111 . 1 1 4 LEU HD12 H 10.287 6.924 2.406 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . rr_6qyu 1
. 11 . 1112 . 1 1 4 LEU HD13 H 9.012 8.104 2.099 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . rr_6qyu 1
. 11 . 1113 . 1 1 4 LEU HD21 H 9.861 4.519 1.643 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . rr_6qyu 1
. 11 . 1114 . 1 1 4 LEU HD22 H 9.017 4.968 0.162 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . rr_6qyu 1
. 11 . 1115 . 1 1 4 LEU HD23 H 8.202 3.984 1.378 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . rr_6qyu 1
. 11 . 1116 . 1 1 4 LEU HG H 7.475 6.380 1.418 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . rr_6qyu 1
. 11 . 1117 . 1 1 4 LEU N N 6.473 6.192 5.150 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . rr_6qyu 1
. 11 . 1118 . 1 1 4 LEU O O 5.617 4.989 1.838 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . rr_6qyu 1
. 11 . 1119 . 1 1 5 DHA C C 3.112 2.965 4.178 . . . 1.0 . . . . . . . . . . . . A . 5 DHA C . . . . . . . . . rr_6qyu 1
. 11 . 1120 . 1 1 5 DHA CA C 4.255 3.215 3.333 . . . 1.0 . . . . . . . . . . . . A . 5 DHA CA . . . . . . . . . rr_6qyu 1
. 11 . 1121 . 1 1 5 DHA CB C 4.354 2.561 2.204 . . . 1.0 . . . . . . . . . . . . A . 5 DHA CB . . . . . . . . . rr_6qyu 1
. 11 . 1122 . 1 1 5 DHA H H 5.171 4.210 4.853 . . . 1.0 . . . . . . . . . . . . A . 5 DHA H . . . . . . . . . rr_6qyu 1
. 11 . 1123 . 1 1 5 DHA HB1 H 5.164 2.743 1.584 . . . 1.0 . . . . . . . . . . . . A . 5 DHA HB1 . . . . . . . . . rr_6qyu 1
. 11 . 1124 . 1 1 5 DHA HB2 H 3.607 1.832 1.923 . . . 1.0 . . . . . . . . . . . . A . 5 DHA HB2 . . . . . . . . . rr_6qyu 1
. 11 . 1125 . 1 1 5 DHA N N 5.093 4.187 3.879 . . . 1.0 . . . . . . . . . . . . A . 5 DHA N . . . . . . . . . rr_6qyu 1
. 11 . 1126 . 1 1 5 DHA O O 3.085 2.038 4.968 . . . 1.0 . . . . . . . . . . . . A . 5 DHA O . . . . . . . . . rr_6qyu 1
. 11 . 1127 . 1 1 6 LEU C C 0.396 5.093 5.134 . . . 1.0 . . . . . . . . . . . . A . 6 LEU C . . . . . . . . . rr_6qyu 1
. 11 . 1128 . 1 1 6 LEU CA C 0.866 3.709 4.724 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CA . . . . . . . . . rr_6qyu 1
. 11 . 1129 . 1 1 6 LEU CB C 1.055 2.858 5.981 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CB . . . . . . . . . rr_6qyu 1
. 11 . 1130 . 1 1 6 LEU CD1 C 1.652 4.118 8.061 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD1 . . . . . . . . . rr_6qyu 1
. 11 . 1131 . 1 1 6 LEU CD2 C 3.158 2.276 7.300 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD2 . . . . . . . . . rr_6qyu 1
. 11 . 1132 . 1 1 6 LEU CG C 2.221 3.406 6.831 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CG . . . . . . . . . rr_6qyu 1
. 11 . 1133 . 1 1 6 LEU H H 2.197 4.519 3.287 . . . 1.0 . . . . . . . . . . . . A . 6 LEU H . . . . . . . . . rr_6qyu 1
. 11 . 1134 . 1 1 6 LEU HA H 0.126 3.253 4.094 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HA . . . . . . . . . rr_6qyu 1
. 11 . 1135 . 1 1 6 LEU HB2 H 0.147 2.893 6.564 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB2 . . . . . . . . . rr_6qyu 1
. 11 . 1136 . 1 1 6 LEU HB3 H 1.253 1.846 5.685 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB3 . . . . . . . . . rr_6qyu 1
. 11 . 1137 . 1 1 6 LEU HD11 H 0.780 4.688 7.775 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD11 . . . . . . . . . rr_6qyu 1
. 11 . 1138 . 1 1 6 LEU HD12 H 2.399 4.782 8.470 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD12 . . . . . . . . . rr_6qyu 1
. 11 . 1139 . 1 1 6 LEU HD13 H 1.375 3.385 8.805 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD13 . . . . . . . . . rr_6qyu 1
. 11 . 1140 . 1 1 6 LEU HD21 H 3.270 2.321 8.369 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD21 . . . . . . . . . rr_6qyu 1
. 11 . 1141 . 1 1 6 LEU HD22 H 4.128 2.401 6.836 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD22 . . . . . . . . . rr_6qyu 1
. 11 . 1142 . 1 1 6 LEU HD23 H 2.754 1.315 7.020 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD23 . . . . . . . . . rr_6qyu 1
. 11 . 1143 . 1 1 6 LEU HG H 2.785 4.115 6.250 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HG . . . . . . . . . rr_6qyu 1
. 11 . 1144 . 1 1 6 LEU N N 2.111 3.817 3.970 . . . 1.0 . . . . . . . . . . . . A . 6 LEU N . . . . . . . . . rr_6qyu 1
. 11 . 1145 . 1 1 6 LEU O O -0.768 5.458 4.974 . . . 1.0 . . . . . . . . . . . . A . 6 LEU O . . . . . . . . . rr_6qyu 1
. 11 . 1146 . 1 1 7 CYS C C 0.238 7.978 5.135 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . rr_6qyu 1
. 11 . 1147 . 1 1 7 CYS CA C 1.114 7.202 6.111 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . rr_6qyu 1
. 11 . 1148 . 1 1 7 CYS CB C 2.481 7.852 6.226 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . rr_6qyu 1
. 11 . 1149 . 1 1 7 CYS H H 2.237 5.475 5.740 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . rr_6qyu 1
. 11 . 1150 . 1 1 7 CYS HA H 0.644 7.187 7.076 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . rr_6qyu 1
. 11 . 1151 . 1 1 7 CYS HB2 H 3.165 7.283 5.619 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . rr_6qyu 1
. 11 . 1152 . 1 1 7 CYS HB3 H 2.443 8.873 5.877 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . rr_6qyu 1
. 11 . 1153 . 1 1 7 CYS N N 1.340 5.846 5.659 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . rr_6qyu 1
. 11 . 1154 . 1 1 7 CYS O O -0.191 9.095 5.426 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . rr_6qyu 1
. 11 . 1155 . 1 1 7 CYS SG S 3.045 7.811 7.939 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . rr_6qyu 1
. 11 . 1156 . 1 1 8 ALA C C -1.824 9.007 3.607 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_6qyu 1
. 11 . 1157 . 1 1 8 ALA CA C -0.859 8.010 2.971 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_6qyu 1
. 11 . 1158 . 1 1 8 ALA CB C -1.651 6.937 2.231 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_6qyu 1
. 11 . 1159 . 1 1 8 ALA H H 0.340 6.486 3.811 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_6qyu 1
. 11 . 1160 . 1 1 8 ALA HA H -0.227 8.528 2.267 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_6qyu 1
. 11 . 1161 . 1 1 8 ALA HB1 H -2.368 7.407 1.577 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_6qyu 1
. 11 . 1162 . 1 1 8 ALA HB2 H -2.168 6.317 2.949 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_6qyu 1
. 11 . 1163 . 1 1 8 ALA HB3 H -0.975 6.328 1.651 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_6qyu 1
. 11 . 1164 . 1 1 8 ALA N N -0.028 7.376 3.984 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_6qyu 1
. 11 . 1165 . 1 1 8 ALA O O -1.436 10.150 3.777 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_6qyu 1
. 11 . 1166 . 1 1 8 ALA OXT O -2.936 8.611 3.915 . . . 1.0 . . . . . . . . . . . . A . 8 ALA OXT . . . . . . . . . rr_6qyu 1
. 12 . 1167 . 1 1 1 PHE C C 10.102 4.274 7.890 . . . 1.0 . . . . . . . . . . . . A . 1 PHE C . . . . . . . . . rr_6qyu 1
. 12 . 1168 . 1 1 1 PHE CA C 11.081 3.542 6.976 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CA . . . . . . . . . rr_6qyu 1
. 12 . 1169 . 1 1 1 PHE CB C 11.507 4.459 5.828 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CB . . . . . . . . . rr_6qyu 1
. 12 . 1170 . 1 1 1 PHE CD1 C 14.017 4.672 5.922 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CD1 . . . . . . . . . rr_6qyu 1
. 12 . 1171 . 1 1 1 PHE CD2 C 12.661 6.439 6.882 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CD2 . . . . . . . . . rr_6qyu 1
. 12 . 1172 . 1 1 1 PHE CE1 C 15.178 5.365 6.285 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CE1 . . . . . . . . . rr_6qyu 1
. 12 . 1173 . 1 1 1 PHE CE2 C 13.822 7.132 7.245 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CE2 . . . . . . . . . rr_6qyu 1
. 12 . 1174 . 1 1 1 PHE CG C 12.758 5.209 6.220 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CG . . . . . . . . . rr_6qyu 1
. 12 . 1175 . 1 1 1 PHE CZ C 15.080 6.596 6.947 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CZ . . . . . . . . . rr_6qyu 1
. 12 . 1176 . 1 1 1 PHE H1 H 9.578 2.100 6.978 . . . 1.0 . . . . . . . . . . . . A . 1 PHE H1 . . . . . . . . . rr_6qyu 1
. 12 . 1177 . 1 1 1 PHE H2 H 11.090 1.524 6.462 . . . 1.0 . . . . . . . . . . . . A . 1 PHE H2 . . . . . . . . . rr_6qyu 1
. 12 . 1178 . 1 1 1 PHE H3 H 10.152 2.497 5.433 . . . 1.0 . . . . . . . . . . . . A . 1 PHE H3 . . . . . . . . . rr_6qyu 1
. 12 . 1179 . 1 1 1 PHE HA H 11.952 3.252 7.545 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HA . . . . . . . . . rr_6qyu 1
. 12 . 1180 . 1 1 1 PHE HB2 H 11.702 3.866 4.947 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HB2 . . . . . . . . . rr_6qyu 1
. 12 . 1181 . 1 1 1 PHE HB3 H 10.716 5.165 5.618 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HB3 . . . . . . . . . rr_6qyu 1
. 12 . 1182 . 1 1 1 PHE HD1 H 14.092 3.723 5.411 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HD1 . . . . . . . . . rr_6qyu 1
. 12 . 1183 . 1 1 1 PHE HD2 H 11.690 6.852 7.112 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HD2 . . . . . . . . . rr_6qyu 1
. 12 . 1184 . 1 1 1 PHE HE1 H 16.148 4.950 6.055 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HE1 . . . . . . . . . rr_6qyu 1
. 12 . 1185 . 1 1 1 PHE HE2 H 13.746 8.081 7.755 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HE2 . . . . . . . . . rr_6qyu 1
. 12 . 1186 . 1 1 1 PHE HZ H 15.977 7.130 7.227 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HZ . . . . . . . . . rr_6qyu 1
. 12 . 1187 . 1 1 1 PHE N N 10.426 2.325 6.421 . . . 1.0 . . . . . . . . . . . . A . 1 PHE N . . . . . . . . . rr_6qyu 1
. 12 . 1188 . 1 1 1 PHE O O 10.501 5.118 8.692 . . . 1.0 . . . . . . . . . . . . A . 1 PHE O . . . . . . . . . rr_6qyu 1
. 12 . 1189 . 1 1 2 DHA C C 6.752 5.144 7.791 . . . 1.0 . . . . . . . . . . . . A . 2 DHA C . . . . . . . . . rr_6qyu 1
. 12 . 1190 . 1 1 2 DHA CA C 7.859 4.575 8.571 . . . 1.0 . . . . . . . . . . . . A . 2 DHA CA . . . . . . . . . rr_6qyu 1
. 12 . 1191 . 1 1 2 DHA CB C 7.846 4.732 9.889 . . . 1.0 . . . . . . . . . . . . A . 2 DHA CB . . . . . . . . . rr_6qyu 1
. 12 . 1192 . 1 1 2 DHA H H 8.474 3.276 7.134 . . . 1.0 . . . . . . . . . . . . A . 2 DHA H . . . . . . . . . rr_6qyu 1
. 12 . 1193 . 1 1 2 DHA HB1 H 8.631 4.344 10.474 . . . 1.0 . . . . . . . . . . . . A . 2 DHA HB1 . . . . . . . . . rr_6qyu 1
. 12 . 1194 . 1 1 2 DHA HB2 H 7.028 5.251 10.368 . . . 1.0 . . . . . . . . . . . . A . 2 DHA HB2 . . . . . . . . . rr_6qyu 1
. 12 . 1195 . 1 1 2 DHA N N 8.802 3.946 7.769 . . . 1.0 . . . . . . . . . . . . A . 2 DHA N . . . . . . . . . rr_6qyu 1
. 12 . 1196 . 1 1 2 DHA O O 5.937 4.456 7.177 . . . 1.0 . . . . . . . . . . . . A . 2 DHA O . . . . . . . . . rr_6qyu 1
. 12 . 1197 . 1 1 3 DAL C C 5.709 7.090 5.674 . . . 1.0 . . . . . . . . . . . . A . 3 DAL C . . . . . . . . . rr_6qyu 1
. 12 . 1198 . 1 1 3 DAL CA C 5.590 7.150 7.203 . . . 1.0 . . . . . . . . . . . . A . 3 DAL CA . . . . . . . . . rr_6qyu 1
. 12 . 1199 . 1 1 3 DAL CB C 4.284 6.524 7.685 . . . 1.0 . . . . . . . . . . . . A . 3 DAL CB . . . . . . . . . rr_6qyu 1
. 12 . 1200 . 1 1 3 DAL H H 7.308 6.997 8.398 . . . 1.0 . . . . . . . . . . . . A . 3 DAL H . . . . . . . . . rr_6qyu 1
. 12 . 1201 . 1 1 3 DAL HA H 5.601 8.174 7.507 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HA . . . . . . . . . rr_6qyu 1
. 12 . 1202 . 1 1 3 DAL HB1 H 4.463 6.012 8.620 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HB1 . . . . . . . . . rr_6qyu 1
. 12 . 1203 . 1 1 3 DAL HB2 H 3.941 5.816 6.961 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HB2 . . . . . . . . . rr_6qyu 1
. 12 . 1204 . 1 1 3 DAL N N 6.673 6.473 7.867 . . . 1.0 . . . . . . . . . . . . A . 3 DAL N . . . . . . . . . rr_6qyu 1
. 12 . 1205 . 1 1 3 DAL O O 5.100 7.896 4.973 . . . 1.0 . . . . . . . . . . . . A . 3 DAL O . . . . . . . . . rr_6qyu 1
. 12 . 1206 . 1 1 4 LEU C C 5.761 5.031 3.058 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . rr_6qyu 1
. 12 . 1207 . 1 1 4 LEU CA C 6.684 6.074 3.698 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . rr_6qyu 1
. 12 . 1208 . 1 1 4 LEU CB C 8.149 5.773 3.335 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . rr_6qyu 1
. 12 . 1209 . 1 1 4 LEU CD1 C 8.058 3.989 5.082 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . rr_6qyu 1
. 12 . 1210 . 1 1 4 LEU CD2 C 7.834 3.368 2.672 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . rr_6qyu 1
. 12 . 1211 . 1 1 4 LEU CG C 8.510 4.319 3.664 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . rr_6qyu 1
. 12 . 1212 . 1 1 4 LEU H H 7.006 5.559 5.744 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . rr_6qyu 1
. 12 . 1213 . 1 1 4 LEU HA H 6.432 7.037 3.277 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . rr_6qyu 1
. 12 . 1214 . 1 1 4 LEU HB2 H 8.295 5.944 2.279 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . rr_6qyu 1
. 12 . 1215 . 1 1 4 LEU HB3 H 8.795 6.434 3.893 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . rr_6qyu 1
. 12 . 1216 . 1 1 4 LEU HD11 H 8.423 4.748 5.754 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . rr_6qyu 1
. 12 . 1217 . 1 1 4 LEU HD12 H 8.459 3.028 5.373 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . rr_6qyu 1
. 12 . 1218 . 1 1 4 LEU HD13 H 6.980 3.957 5.122 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . rr_6qyu 1
. 12 . 1219 . 1 1 4 LEU HD21 H 7.534 3.918 1.793 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . rr_6qyu 1
. 12 . 1220 . 1 1 4 LEU HD22 H 6.964 2.923 3.134 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . rr_6qyu 1
. 12 . 1221 . 1 1 4 LEU HD23 H 8.528 2.591 2.390 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . rr_6qyu 1
. 12 . 1222 . 1 1 4 LEU HG H 9.582 4.200 3.598 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . rr_6qyu 1
. 12 . 1223 . 1 1 4 LEU N N 6.512 6.163 5.153 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . rr_6qyu 1
. 12 . 1224 . 1 1 4 LEU O O 5.621 4.997 1.834 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . rr_6qyu 1
. 12 . 1225 . 1 1 5 DHA C C 3.115 2.962 4.163 . . . 1.0 . . . . . . . . . . . . A . 5 DHA C . . . . . . . . . rr_6qyu 1
. 12 . 1226 . 1 1 5 DHA CA C 4.257 3.217 3.315 . . . 1.0 . . . . . . . . . . . . A . 5 DHA CA . . . . . . . . . rr_6qyu 1
. 12 . 1227 . 1 1 5 DHA CB C 4.342 2.583 2.174 . . . 1.0 . . . . . . . . . . . . A . 5 DHA CB . . . . . . . . . rr_6qyu 1
. 12 . 1228 . 1 1 5 DHA H H 5.194 4.183 4.844 . . . 1.0 . . . . . . . . . . . . A . 5 DHA H . . . . . . . . . rr_6qyu 1
. 12 . 1229 . 1 1 5 DHA HB1 H 5.150 2.768 1.551 . . . 1.0 . . . . . . . . . . . . A . 5 DHA HB1 . . . . . . . . . rr_6qyu 1
. 12 . 1230 . 1 1 5 DHA HB2 H 3.587 1.865 1.886 . . . 1.0 . . . . . . . . . . . . A . 5 DHA HB2 . . . . . . . . . rr_6qyu 1
. 12 . 1231 . 1 1 5 DHA N N 5.110 4.172 3.870 . . . 1.0 . . . . . . . . . . . . A . 5 DHA N . . . . . . . . . rr_6qyu 1
. 12 . 1232 . 1 1 5 DHA O O 3.082 2.019 4.935 . . . 1.0 . . . . . . . . . . . . A . 5 DHA O . . . . . . . . . rr_6qyu 1
. 12 . 1233 . 1 1 6 LEU C C 0.401 5.100 5.134 . . . 1.0 . . . . . . . . . . . . A . 6 LEU C . . . . . . . . . rr_6qyu 1
. 12 . 1234 . 1 1 6 LEU CA C 0.880 3.718 4.732 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CA . . . . . . . . . rr_6qyu 1
. 12 . 1235 . 1 1 6 LEU CB C 1.080 2.871 5.990 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CB . . . . . . . . . rr_6qyu 1
. 12 . 1236 . 1 1 6 LEU CD1 C 1.718 4.128 8.056 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD1 . . . . . . . . . rr_6qyu 1
. 12 . 1237 . 1 1 6 LEU CD2 C 3.200 2.276 7.272 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD2 . . . . . . . . . rr_6qyu 1
. 12 . 1238 . 1 1 6 LEU CG C 2.263 3.413 6.820 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CG . . . . . . . . . rr_6qyu 1
. 12 . 1239 . 1 1 6 LEU H H 2.212 4.541 3.308 . . . 1.0 . . . . . . . . . . . . A . 6 LEU H . . . . . . . . . rr_6qyu 1
. 12 . 1240 . 1 1 6 LEU HA H 0.142 3.253 4.107 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HA . . . . . . . . . rr_6qyu 1
. 12 . 1241 . 1 1 6 LEU HB2 H 0.182 2.917 6.586 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB2 . . . . . . . . . rr_6qyu 1
. 12 . 1242 . 1 1 6 LEU HB3 H 1.265 1.858 5.696 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB3 . . . . . . . . . rr_6qyu 1
. 12 . 1243 . 1 1 6 LEU HD11 H 2.536 4.564 8.609 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD11 . . . . . . . . . rr_6qyu 1
. 12 . 1244 . 1 1 6 LEU HD12 H 1.199 3.416 8.682 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD12 . . . . . . . . . rr_6qyu 1
. 12 . 1245 . 1 1 6 LEU HD13 H 1.034 4.906 7.751 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD13 . . . . . . . . . rr_6qyu 1
. 12 . 1246 . 1 1 6 LEU HD21 H 3.339 2.328 8.339 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD21 . . . . . . . . . rr_6qyu 1
. 12 . 1247 . 1 1 6 LEU HD22 H 4.161 2.391 6.785 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD22 . . . . . . . . . rr_6qyu 1
. 12 . 1248 . 1 1 6 LEU HD23 H 2.781 1.319 7.009 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD23 . . . . . . . . . rr_6qyu 1
. 12 . 1249 . 1 1 6 LEU HG H 2.820 4.116 6.228 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HG . . . . . . . . . rr_6qyu 1
. 12 . 1250 . 1 1 6 LEU N N 2.122 3.828 3.977 . . . 1.0 . . . . . . . . . . . . A . 6 LEU N . . . . . . . . . rr_6qyu 1
. 12 . 1251 . 1 1 6 LEU O O -0.758 5.467 4.939 . . . 1.0 . . . . . . . . . . . . A . 6 LEU O . . . . . . . . . rr_6qyu 1
. 12 . 1252 . 1 1 7 CYS C C 0.194 7.956 5.152 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . rr_6qyu 1
. 12 . 1253 . 1 1 7 CYS CA C 1.084 7.208 6.135 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . rr_6qyu 1
. 12 . 1254 . 1 1 7 CYS CB C 2.439 7.885 6.240 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . rr_6qyu 1
. 12 . 1255 . 1 1 7 CYS H H 2.224 5.482 5.799 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . rr_6qyu 1
. 12 . 1256 . 1 1 7 CYS HA H 0.613 7.193 7.100 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . rr_6qyu 1
. 12 . 1257 . 1 1 7 CYS HB2 H 3.124 7.347 5.606 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . rr_6qyu 1
. 12 . 1258 . 1 1 7 CYS HB3 H 2.370 8.912 5.919 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . rr_6qyu 1
. 12 . 1259 . 1 1 7 CYS N N 1.328 5.851 5.691 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . rr_6qyu 1
. 12 . 1260 . 1 1 7 CYS O O -0.309 9.039 5.453 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . rr_6qyu 1
. 12 . 1261 . 1 1 7 CYS SG S 3.035 7.813 7.942 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . rr_6qyu 1
. 12 . 1262 . 1 1 8 ALA C C -1.867 8.900 3.573 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_6qyu 1
. 12 . 1263 . 1 1 8 ALA CA C -0.828 7.971 2.954 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_6qyu 1
. 12 . 1264 . 1 1 8 ALA CB C -1.530 6.868 2.172 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_6qyu 1
. 12 . 1265 . 1 1 8 ALA H H 0.431 6.504 3.804 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_6qyu 1
. 12 . 1266 . 1 1 8 ALA HA H -0.204 8.536 2.278 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_6qyu 1
. 12 . 1267 . 1 1 8 ALA HB1 H -0.818 6.095 1.924 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_6qyu 1
. 12 . 1268 . 1 1 8 ALA HB2 H -1.950 7.279 1.268 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_6qyu 1
. 12 . 1269 . 1 1 8 ALA HB3 H -2.320 6.448 2.780 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_6qyu 1
. 12 . 1270 . 1 1 8 ALA N N 0.004 7.367 3.981 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_6qyu 1
. 12 . 1271 . 1 1 8 ALA O O -2.788 8.395 4.196 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_6qyu 1
. 12 . 1272 . 1 1 8 ALA OXT O -1.728 10.102 3.414 . . . 1.0 . . . . . . . . . . . . A . 8 ALA OXT . . . . . . . . . rr_6qyu 1
. 13 . 1273 . 1 1 1 PHE C C 8.978 2.532 7.548 . . . 1.0 . . . . . . . . . . . . A . 1 PHE C . . . . . . . . . rr_6qyu 1
. 13 . 1274 . 1 1 1 PHE CA C 9.826 1.846 6.484 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CA . . . . . . . . . rr_6qyu 1
. 13 . 1275 . 1 1 1 PHE CB C 9.529 0.346 6.476 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CB . . . . . . . . . rr_6qyu 1
. 13 . 1276 . 1 1 1 PHE CD1 C 8.224 -0.431 4.463 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CD1 . . . . . . . . . rr_6qyu 1
. 13 . 1277 . 1 1 1 PHE CD2 C 10.643 -0.320 4.315 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CD2 . . . . . . . . . rr_6qyu 1
. 13 . 1278 . 1 1 1 PHE CE1 C 8.163 -0.888 3.141 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CE1 . . . . . . . . . rr_6qyu 1
. 13 . 1279 . 1 1 1 PHE CE2 C 10.582 -0.777 2.993 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CE2 . . . . . . . . . rr_6qyu 1
. 13 . 1280 . 1 1 1 PHE CG C 9.464 -0.147 5.050 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CG . . . . . . . . . rr_6qyu 1
. 13 . 1281 . 1 1 1 PHE CZ C 9.342 -1.062 2.406 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CZ . . . . . . . . . rr_6qyu 1
. 13 . 1282 . 1 1 1 PHE H1 H 11.435 3.070 6.976 . . . 1.0 . . . . . . . . . . . . A . 1 PHE H1 . . . . . . . . . rr_6qyu 1
. 13 . 1283 . 1 1 1 PHE H2 H 11.840 1.771 5.961 . . . 1.0 . . . . . . . . . . . . A . 1 PHE H2 . . . . . . . . . rr_6qyu 1
. 13 . 1284 . 1 1 1 PHE H3 H 11.542 1.502 7.612 . . . 1.0 . . . . . . . . . . . . A . 1 PHE H3 . . . . . . . . . rr_6qyu 1
. 13 . 1285 . 1 1 1 PHE HA H 9.591 2.263 5.515 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HA . . . . . . . . . rr_6qyu 1
. 13 . 1286 . 1 1 1 PHE HB2 H 10.311 -0.179 7.004 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HB2 . . . . . . . . . rr_6qyu 1
. 13 . 1287 . 1 1 1 PHE HB3 H 8.581 0.164 6.963 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HB3 . . . . . . . . . rr_6qyu 1
. 13 . 1288 . 1 1 1 PHE HD1 H 7.314 -0.296 5.029 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HD1 . . . . . . . . . rr_6qyu 1
. 13 . 1289 . 1 1 1 PHE HD2 H 11.598 -0.101 4.766 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HD2 . . . . . . . . . rr_6qyu 1
. 13 . 1290 . 1 1 1 PHE HE1 H 7.208 -1.107 2.689 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HE1 . . . . . . . . . rr_6qyu 1
. 13 . 1291 . 1 1 1 PHE HE2 H 11.491 -0.912 2.425 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HE2 . . . . . . . . . rr_6qyu 1
. 13 . 1292 . 1 1 1 PHE HZ H 9.296 -1.414 1.386 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HZ . . . . . . . . . rr_6qyu 1
. 13 . 1293 . 1 1 1 PHE N N 11.269 2.064 6.781 . . . 1.0 . . . . . . . . . . . . A . 1 PHE N . . . . . . . . . rr_6qyu 1
. 13 . 1294 . 1 1 1 PHE O O 8.560 1.905 8.523 . . . 1.0 . . . . . . . . . . . . A . 1 PHE O . . . . . . . . . rr_6qyu 1
. 13 . 1295 . 1 1 2 DHA C C 6.781 5.149 7.662 . . . 1.0 . . . . . . . . . . . . A . 2 DHA C . . . . . . . . . rr_6qyu 1
. 13 . 1296 . 1 1 2 DHA CA C 7.951 4.530 8.291 . . . 1.0 . . . . . . . . . . . . A . 2 DHA CA . . . . . . . . . rr_6qyu 1
. 13 . 1297 . 1 1 2 DHA CB C 8.147 4.701 9.595 . . . 1.0 . . . . . . . . . . . . A . 2 DHA CB . . . . . . . . . rr_6qyu 1
. 13 . 1298 . 1 1 2 DHA H H 9.047 4.341 6.590 . . . 1.0 . . . . . . . . . . . . A . 2 DHA H . . . . . . . . . rr_6qyu 1
. 13 . 1299 . 1 1 2 DHA HB1 H 8.989 4.272 10.061 . . . 1.0 . . . . . . . . . . . . A . 2 DHA HB1 . . . . . . . . . rr_6qyu 1
. 13 . 1300 . 1 1 2 DHA HB2 H 7.445 5.272 10.185 . . . 1.0 . . . . . . . . . . . . A . 2 DHA HB2 . . . . . . . . . rr_6qyu 1
. 13 . 1301 . 1 1 2 DHA N N 8.718 3.836 7.363 . . . 1.0 . . . . . . . . . . . . A . 2 DHA N . . . . . . . . . rr_6qyu 1
. 13 . 1302 . 1 1 2 DHA O O 5.896 4.496 7.108 . . . 1.0 . . . . . . . . . . . . A . 2 DHA O . . . . . . . . . rr_6qyu 1
. 13 . 1303 . 1 1 3 DAL C C 5.683 7.131 5.675 . . . 1.0 . . . . . . . . . . . . A . 3 DAL C . . . . . . . . . rr_6qyu 1
. 13 . 1304 . 1 1 3 DAL CA C 5.626 7.181 7.203 . . . 1.0 . . . . . . . . . . . . A . 3 DAL CA . . . . . . . . . rr_6qyu 1
. 13 . 1305 . 1 1 3 DAL CB C 4.341 6.555 7.746 . . . 1.0 . . . . . . . . . . . . A . 3 DAL CB . . . . . . . . . rr_6qyu 1
. 13 . 1306 . 1 1 3 DAL H H 7.450 6.982 8.220 . . . 1.0 . . . . . . . . . . . . A . 3 DAL H . . . . . . . . . rr_6qyu 1
. 13 . 1307 . 1 1 3 DAL HA H 5.674 8.200 7.521 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HA . . . . . . . . . rr_6qyu 1
. 13 . 1308 . 1 1 3 DAL HB1 H 4.546 6.110 8.709 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HB1 . . . . . . . . . rr_6qyu 1
. 13 . 1309 . 1 1 3 DAL HB2 H 4.000 5.792 7.075 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HB2 . . . . . . . . . rr_6qyu 1
. 13 . 1310 . 1 1 3 DAL N N 6.745 6.476 7.764 . . . 1.0 . . . . . . . . . . . . A . 3 DAL N . . . . . . . . . rr_6qyu 1
. 13 . 1311 . 1 1 3 DAL O O 5.061 7.943 4.991 . . . 1.0 . . . . . . . . . . . . A . 3 DAL O . . . . . . . . . rr_6qyu 1
. 13 . 1312 . 1 1 4 LEU C C 5.750 5.016 3.074 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . rr_6qyu 1
. 13 . 1313 . 1 1 4 LEU CA C 6.653 6.088 3.697 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . rr_6qyu 1
. 13 . 1314 . 1 1 4 LEU CB C 8.113 5.765 3.380 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . rr_6qyu 1
. 13 . 1315 . 1 1 4 LEU CD1 C 8.404 7.483 1.588 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . rr_6qyu 1
. 13 . 1316 . 1 1 4 LEU CD2 C 8.514 8.154 3.991 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . rr_6qyu 1
. 13 . 1317 . 1 1 4 LEU CG C 8.846 7.048 2.986 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . rr_6qyu 1
. 13 . 1318 . 1 1 4 LEU H H 6.991 5.614 5.743 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . rr_6qyu 1
. 13 . 1319 . 1 1 4 LEU HA H 6.412 7.040 3.247 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . rr_6qyu 1
. 13 . 1320 . 1 1 4 LEU HB2 H 8.583 5.333 4.252 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . rr_6qyu 1
. 13 . 1321 . 1 1 4 LEU HB3 H 8.157 5.062 2.562 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . rr_6qyu 1
. 13 . 1322 . 1 1 4 LEU HD11 H 9.216 7.337 0.892 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . rr_6qyu 1
. 13 . 1323 . 1 1 4 LEU HD12 H 8.130 8.528 1.606 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . rr_6qyu 1
. 13 . 1324 . 1 1 4 LEU HD13 H 7.554 6.894 1.279 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . rr_6qyu 1
. 13 . 1325 . 1 1 4 LEU HD21 H 7.721 8.772 3.596 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . rr_6qyu 1
. 13 . 1326 . 1 1 4 LEU HD22 H 9.390 8.761 4.162 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . rr_6qyu 1
. 13 . 1327 . 1 1 4 LEU HD23 H 8.196 7.711 4.922 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . rr_6qyu 1
. 13 . 1328 . 1 1 4 LEU HG H 9.912 6.868 2.986 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . rr_6qyu 1
. 13 . 1329 . 1 1 4 LEU N N 6.480 6.204 5.147 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . rr_6qyu 1
. 13 . 1330 . 1 1 4 LEU O O 5.642 4.935 1.850 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . rr_6qyu 1
. 13 . 1331 . 1 1 5 DHA C C 3.099 2.965 4.185 . . . 1.0 . . . . . . . . . . . . A . 5 DHA C . . . . . . . . . rr_6qyu 1
. 13 . 1332 . 1 1 5 DHA CA C 4.263 3.199 3.361 . . . 1.0 . . . . . . . . . . . . A . 5 DHA CA . . . . . . . . . rr_6qyu 1
. 13 . 1333 . 1 1 5 DHA CB C 4.386 2.519 2.251 . . . 1.0 . . . . . . . . . . . . A . 5 DHA CB . . . . . . . . . rr_6qyu 1
. 13 . 1334 . 1 1 5 DHA H H 5.156 4.225 4.876 . . . 1.0 . . . . . . . . . . . . A . 5 DHA H . . . . . . . . . rr_6qyu 1
. 13 . 1335 . 1 1 5 DHA HB1 H 5.210 2.688 1.645 . . . 1.0 . . . . . . . . . . . . A . 5 DHA HB1 . . . . . . . . . rr_6qyu 1
. 13 . 1336 . 1 1 5 DHA HB2 H 3.647 1.784 1.969 . . . 1.0 . . . . . . . . . . . . A . 5 DHA HB2 . . . . . . . . . rr_6qyu 1
. 13 . 1337 . 1 1 5 DHA N N 5.091 4.182 3.901 . . . 1.0 . . . . . . . . . . . . A . 5 DHA N . . . . . . . . . rr_6qyu 1
. 13 . 1338 . 1 1 5 DHA O O 3.051 2.043 4.978 . . . 1.0 . . . . . . . . . . . . A . 5 DHA O . . . . . . . . . rr_6qyu 1
. 13 . 1339 . 1 1 6 LEU C C 0.381 5.106 5.102 . . . 1.0 . . . . . . . . . . . . A . 6 LEU C . . . . . . . . . rr_6qyu 1
. 13 . 1340 . 1 1 6 LEU CA C 0.839 3.723 4.668 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CA . . . . . . . . . rr_6qyu 1
. 13 . 1341 . 1 1 6 LEU CB C 0.980 2.841 5.911 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CB . . . . . . . . . rr_6qyu 1
. 13 . 1342 . 1 1 6 LEU CD1 C 1.503 4.073 8.025 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD1 . . . . . . . . . rr_6qyu 1
. 13 . 1343 . 1 1 6 LEU CD2 C 3.020 2.222 7.311 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD2 . . . . . . . . . rr_6qyu 1
. 13 . 1344 . 1 1 6 LEU CG C 2.115 3.368 6.815 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CG . . . . . . . . . rr_6qyu 1
. 13 . 1345 . 1 1 6 LEU H H 2.208 4.513 3.258 . . . 1.0 . . . . . . . . . . . . A . 6 LEU H . . . . . . . . . rr_6qyu 1
. 13 . 1346 . 1 1 6 LEU HA H 0.105 3.294 4.011 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HA . . . . . . . . . rr_6qyu 1
. 13 . 1347 . 1 1 6 LEU HB2 H 0.052 2.868 6.463 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB2 . . . . . . . . . rr_6qyu 1
. 13 . 1348 . 1 1 6 LEU HB3 H 1.185 1.836 5.602 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB3 . . . . . . . . . rr_6qyu 1
. 13 . 1349 . 1 1 6 LEU HD11 H 2.236 4.732 8.467 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD11 . . . . . . . . . rr_6qyu 1
. 13 . 1350 . 1 1 6 LEU HD12 H 1.197 3.337 8.753 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD12 . . . . . . . . . rr_6qyu 1
. 13 . 1351 . 1 1 6 LEU HD13 H 0.645 4.648 7.711 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD13 . . . . . . . . . rr_6qyu 1
. 13 . 1352 . 1 1 6 LEU HD21 H 4.013 2.350 6.900 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD21 . . . . . . . . . rr_6qyu 1
. 13 . 1353 . 1 1 6 LEU HD22 H 2.624 1.271 6.993 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD22 . . . . . . . . . rr_6qyu 1
. 13 . 1354 . 1 1 6 LEU HD23 H 3.075 2.246 8.385 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD23 . . . . . . . . . rr_6qyu 1
. 13 . 1355 . 1 1 6 LEU HG H 2.712 4.077 6.265 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HG . . . . . . . . . rr_6qyu 1
. 13 . 1356 . 1 1 6 LEU N N 2.104 3.820 3.946 . . . 1.0 . . . . . . . . . . . . A . 6 LEU N . . . . . . . . . rr_6qyu 1
. 13 . 1357 . 1 1 6 LEU O O -0.775 5.492 4.930 . . . 1.0 . . . . . . . . . . . . A . 6 LEU O . . . . . . . . . rr_6qyu 1
. 13 . 1358 . 1 1 7 CYS C C 0.199 7.978 5.236 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . rr_6qyu 1
. 13 . 1359 . 1 1 7 CYS CA C 1.114 7.176 6.153 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . rr_6qyu 1
. 13 . 1360 . 1 1 7 CYS CB C 2.482 7.826 6.233 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . rr_6qyu 1
. 13 . 1361 . 1 1 7 CYS H H 2.214 5.440 5.754 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . rr_6qyu 1
. 13 . 1362 . 1 1 7 CYS HA H 0.686 7.138 7.133 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . rr_6qyu 1
. 13 . 1363 . 1 1 7 CYS HB2 H 3.159 7.240 5.633 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . rr_6qyu 1
. 13 . 1364 . 1 1 7 CYS HB3 H 2.440 8.837 5.859 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . rr_6qyu 1
. 13 . 1365 . 1 1 7 CYS N N 1.325 5.829 5.665 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . rr_6qyu 1
. 13 . 1366 . 1 1 7 CYS O O -0.601 8.792 5.698 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . rr_6qyu 1
. 13 . 1367 . 1 1 7 CYS SG S 3.064 7.828 7.942 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . rr_6qyu 1
. 13 . 1368 . 1 1 8 ALA C C -0.802 7.577 1.769 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_6qyu 1
. 13 . 1369 . 1 1 8 ALA CA C -0.488 8.465 2.969 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_6qyu 1
. 13 . 1370 . 1 1 8 ALA CB C 0.251 9.721 2.504 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_6qyu 1
. 13 . 1371 . 1 1 8 ALA H H 0.987 7.095 3.636 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_6qyu 1
. 13 . 1372 . 1 1 8 ALA HA H -1.413 8.762 3.438 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_6qyu 1
. 13 . 1373 . 1 1 8 ALA HB1 H 0.312 10.424 3.322 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_6qyu 1
. 13 . 1374 . 1 1 8 ALA HB2 H -0.284 10.170 1.681 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_6qyu 1
. 13 . 1375 . 1 1 8 ALA HB3 H 1.248 9.454 2.185 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_6qyu 1
. 13 . 1376 . 1 1 8 ALA N N 0.328 7.751 3.941 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_6qyu 1
. 13 . 1377 . 1 1 8 ALA O O -1.906 7.676 1.258 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_6qyu 1
. 13 . 1378 . 1 1 8 ALA OXT O 0.065 6.813 1.379 . . . 1.0 . . . . . . . . . . . . A . 8 ALA OXT . . . . . . . . . rr_6qyu 1
. 14 . 1379 . 1 1 1 PHE C C 8.608 2.759 6.821 . . . 1.0 . . . . . . . . . . . . A . 1 PHE C . . . . . . . . . rr_6qyu 1
. 14 . 1380 . 1 1 1 PHE CA C 9.607 2.206 5.810 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CA . . . . . . . . . rr_6qyu 1
. 14 . 1381 . 1 1 1 PHE CB C 8.870 1.398 4.740 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CB . . . . . . . . . rr_6qyu 1
. 14 . 1382 . 1 1 1 PHE CD1 C 11.028 0.594 3.714 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CD1 . . . . . . . . . rr_6qyu 1
. 14 . 1383 . 1 1 1 PHE CD2 C 9.330 -1.040 4.288 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CD2 . . . . . . . . . rr_6qyu 1
. 14 . 1384 . 1 1 1 PHE CE1 C 11.857 -0.432 3.246 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CE1 . . . . . . . . . rr_6qyu 1
. 14 . 1385 . 1 1 1 PHE CE2 C 10.160 -2.067 3.819 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CE2 . . . . . . . . . rr_6qyu 1
. 14 . 1386 . 1 1 1 PHE CG C 9.763 0.290 4.235 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CG . . . . . . . . . rr_6qyu 1
. 14 . 1387 . 1 1 1 PHE CZ C 11.423 -1.763 3.298 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CZ . . . . . . . . . rr_6qyu 1
. 14 . 1388 . 1 1 1 PHE H1 H 10.882 0.559 5.872 . . . 1.0 . . . . . . . . . . . . A . 1 PHE H1 . . . . . . . . . rr_6qyu 1
. 14 . 1389 . 1 1 1 PHE H2 H 10.136 0.913 7.357 . . . 1.0 . . . . . . . . . . . . A . 1 PHE H2 . . . . . . . . . rr_6qyu 1
. 14 . 1390 . 1 1 1 PHE H3 H 11.416 1.880 6.792 . . . 1.0 . . . . . . . . . . . . A . 1 PHE H3 . . . . . . . . . rr_6qyu 1
. 14 . 1391 . 1 1 1 PHE HA H 10.136 3.025 5.343 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HA . . . . . . . . . rr_6qyu 1
. 14 . 1392 . 1 1 1 PHE HB2 H 7.973 0.972 5.165 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HB2 . . . . . . . . . rr_6qyu 1
. 14 . 1393 . 1 1 1 PHE HB3 H 8.605 2.047 3.919 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HB3 . . . . . . . . . rr_6qyu 1
. 14 . 1394 . 1 1 1 PHE HD1 H 11.362 1.619 3.673 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HD1 . . . . . . . . . rr_6qyu 1
. 14 . 1395 . 1 1 1 PHE HD2 H 8.355 -1.276 4.690 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HD2 . . . . . . . . . rr_6qyu 1
. 14 . 1396 . 1 1 1 PHE HE1 H 12.831 -0.198 2.843 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HE1 . . . . . . . . . rr_6qyu 1
. 14 . 1397 . 1 1 1 PHE HE2 H 9.826 -3.094 3.860 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HE2 . . . . . . . . . rr_6qyu 1
. 14 . 1398 . 1 1 1 PHE HZ H 12.064 -2.554 2.937 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HZ . . . . . . . . . rr_6qyu 1
. 14 . 1399 . 1 1 1 PHE N N 10.584 1.323 6.511 . . . 1.0 . . . . . . . . . . . . A . 1 PHE N . . . . . . . . . rr_6qyu 1
. 14 . 1400 . 1 1 1 PHE O O 7.612 2.110 7.143 . . . 1.0 . . . . . . . . . . . . A . 1 PHE O . . . . . . . . . rr_6qyu 1
. 14 . 1401 . 1 1 2 DHA C C 6.849 5.157 7.599 . . . 1.0 . . . . . . . . . . . . A . 2 DHA C . . . . . . . . . rr_6qyu 1
. 14 . 1402 . 1 1 2 DHA CA C 8.009 4.546 8.254 . . . 1.0 . . . . . . . . . . . . A . 2 DHA CA . . . . . . . . . rr_6qyu 1
. 14 . 1403 . 1 1 2 DHA CB C 8.110 4.618 9.577 . . . 1.0 . . . . . . . . . . . . A . 2 DHA CB . . . . . . . . . rr_6qyu 1
. 14 . 1404 . 1 1 2 DHA H H 9.664 4.497 7.077 . . . 1.0 . . . . . . . . . . . . A . 2 DHA H . . . . . . . . . rr_6qyu 1
. 14 . 1405 . 1 1 2 DHA HB1 H 8.944 4.196 10.065 . . . 1.0 . . . . . . . . . . . . A . 2 DHA HB1 . . . . . . . . . rr_6qyu 1
. 14 . 1406 . 1 1 2 DHA HB2 H 7.339 5.102 10.160 . . . 1.0 . . . . . . . . . . . . A . 2 DHA HB2 . . . . . . . . . rr_6qyu 1
. 14 . 1407 . 1 1 2 DHA N N 8.874 3.974 7.328 . . . 1.0 . . . . . . . . . . . . A . 2 DHA N . . . . . . . . . rr_6qyu 1
. 14 . 1408 . 1 1 2 DHA O O 6.023 4.508 6.956 . . . 1.0 . . . . . . . . . . . . A . 2 DHA O . . . . . . . . . rr_6qyu 1
. 14 . 1409 . 1 1 3 DAL C C 5.694 7.128 5.683 . . . 1.0 . . . . . . . . . . . . A . 3 DAL C . . . . . . . . . rr_6qyu 1
. 14 . 1410 . 1 1 3 DAL CA C 5.635 7.174 7.213 . . . 1.0 . . . . . . . . . . . . A . 3 DAL CA . . . . . . . . . rr_6qyu 1
. 14 . 1411 . 1 1 3 DAL CB C 4.343 6.550 7.744 . . . 1.0 . . . . . . . . . . . . A . 3 DAL CB . . . . . . . . . rr_6qyu 1
. 14 . 1412 . 1 1 3 DAL H H 7.409 6.969 8.317 . . . 1.0 . . . . . . . . . . . . A . 3 DAL H . . . . . . . . . rr_6qyu 1
. 14 . 1413 . 1 1 3 DAL HA H 5.679 8.192 7.532 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HA . . . . . . . . . rr_6qyu 1
. 14 . 1414 . 1 1 3 DAL HB1 H 4.538 6.105 8.709 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HB1 . . . . . . . . . rr_6qyu 1
. 14 . 1415 . 1 1 3 DAL HB2 H 4.007 5.787 7.069 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HB2 . . . . . . . . . rr_6qyu 1
. 14 . 1416 . 1 1 3 DAL N N 6.752 6.472 7.786 . . . 1.0 . . . . . . . . . . . . A . 3 DAL N . . . . . . . . . rr_6qyu 1
. 14 . 1417 . 1 1 3 DAL O O 5.069 7.941 5.003 . . . 1.0 . . . . . . . . . . . . A . 3 DAL O . . . . . . . . . rr_6qyu 1
. 14 . 1418 . 1 1 4 LEU C C 5.745 5.025 3.075 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . rr_6qyu 1
. 14 . 1419 . 1 1 4 LEU CA C 6.651 6.098 3.695 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . rr_6qyu 1
. 14 . 1420 . 1 1 4 LEU CB C 8.110 5.787 3.361 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . rr_6qyu 1
. 14 . 1421 . 1 1 4 LEU CD1 C 8.364 7.504 1.562 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . rr_6qyu 1
. 14 . 1422 . 1 1 4 LEU CD2 C 8.495 8.182 3.964 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . rr_6qyu 1
. 14 . 1423 . 1 1 4 LEU CG C 8.827 7.077 2.957 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . rr_6qyu 1
. 14 . 1424 . 1 1 4 LEU H H 7.004 5.608 5.734 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . rr_6qyu 1
. 14 . 1425 . 1 1 4 LEU HA H 6.398 7.049 3.254 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . rr_6qyu 1
. 14 . 1426 . 1 1 4 LEU HB2 H 8.595 5.362 4.228 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . rr_6qyu 1
. 14 . 1427 . 1 1 4 LEU HB3 H 8.152 5.084 2.543 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . rr_6qyu 1
. 14 . 1428 . 1 1 4 LEU HD11 H 7.454 6.981 1.309 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . rr_6qyu 1
. 14 . 1429 . 1 1 4 LEU HD12 H 9.130 7.264 0.839 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . rr_6qyu 1
. 14 . 1430 . 1 1 4 LEU HD13 H 8.182 8.569 1.553 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . rr_6qyu 1
. 14 . 1431 . 1 1 4 LEU HD21 H 8.156 7.738 4.888 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . rr_6qyu 1
. 14 . 1432 . 1 1 4 LEU HD22 H 7.716 8.813 3.562 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . rr_6qyu 1
. 14 . 1433 . 1 1 4 LEU HD23 H 9.378 8.775 4.151 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . rr_6qyu 1
. 14 . 1434 . 1 1 4 LEU HG H 9.894 6.908 2.946 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . rr_6qyu 1
. 14 . 1435 . 1 1 4 LEU N N 6.491 6.203 5.146 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . rr_6qyu 1
. 14 . 1436 . 1 1 4 LEU O O 5.632 4.947 1.852 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . rr_6qyu 1
. 14 . 1437 . 1 1 5 DHA C C 3.097 2.973 4.194 . . . 1.0 . . . . . . . . . . . . A . 5 DHA C . . . . . . . . . rr_6qyu 1
. 14 . 1438 . 1 1 5 DHA CA C 4.256 3.209 3.365 . . . 1.0 . . . . . . . . . . . . A . 5 DHA CA . . . . . . . . . rr_6qyu 1
. 14 . 1439 . 1 1 5 DHA CB C 4.372 2.533 2.252 . . . 1.0 . . . . . . . . . . . . A . 5 DHA CB . . . . . . . . . rr_6qyu 1
. 14 . 1440 . 1 1 5 DHA H H 5.157 4.231 4.876 . . . 1.0 . . . . . . . . . . . . A . 5 DHA H . . . . . . . . . rr_6qyu 1
. 14 . 1441 . 1 1 5 DHA HB1 H 5.193 2.702 1.644 . . . 1.0 . . . . . . . . . . . . A . 5 DHA HB1 . . . . . . . . . rr_6qyu 1
. 14 . 1442 . 1 1 5 DHA HB2 H 3.631 1.800 1.973 . . . 1.0 . . . . . . . . . . . . A . 5 DHA HB2 . . . . . . . . . rr_6qyu 1
. 14 . 1443 . 1 1 5 DHA N N 5.088 4.189 3.903 . . . 1.0 . . . . . . . . . . . . A . 5 DHA N . . . . . . . . . rr_6qyu 1
. 14 . 1444 . 1 1 5 DHA O O 3.060 2.060 4.997 . . . 1.0 . . . . . . . . . . . . A . 5 DHA O . . . . . . . . . rr_6qyu 1
. 14 . 1445 . 1 1 6 LEU C C 0.379 5.097 5.110 . . . 1.0 . . . . . . . . . . . . A . 6 LEU C . . . . . . . . . rr_6qyu 1
. 14 . 1446 . 1 1 6 LEU CA C 0.830 3.714 4.677 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CA . . . . . . . . . rr_6qyu 1
. 14 . 1447 . 1 1 6 LEU CB C 0.971 2.830 5.919 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CB . . . . . . . . . rr_6qyu 1
. 14 . 1448 . 1 1 6 LEU CD1 C 1.478 4.055 8.044 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD1 . . . . . . . . . rr_6qyu 1
. 14 . 1449 . 1 1 6 LEU CD2 C 3.010 2.216 7.323 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD2 . . . . . . . . . rr_6qyu 1
. 14 . 1450 . 1 1 6 LEU CG C 2.100 3.360 6.831 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CG . . . . . . . . . rr_6qyu 1
. 14 . 1451 . 1 1 6 LEU H H 2.188 4.501 3.253 . . . 1.0 . . . . . . . . . . . . A . 6 LEU H . . . . . . . . . rr_6qyu 1
. 14 . 1452 . 1 1 6 LEU HA H 0.094 3.288 4.022 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HA . . . . . . . . . rr_6qyu 1
. 14 . 1453 . 1 1 6 LEU HB2 H 0.041 2.850 6.466 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB2 . . . . . . . . . rr_6qyu 1
. 14 . 1454 . 1 1 6 LEU HB3 H 1.182 1.826 5.608 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB3 . . . . . . . . . rr_6qyu 1
. 14 . 1455 . 1 1 6 LEU HD11 H 1.107 3.312 8.733 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD11 . . . . . . . . . rr_6qyu 1
. 14 . 1456 . 1 1 6 LEU HD12 H 0.662 4.685 7.720 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD12 . . . . . . . . . rr_6qyu 1
. 14 . 1457 . 1 1 6 LEU HD13 H 2.225 4.661 8.536 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD13 . . . . . . . . . rr_6qyu 1
. 14 . 1458 . 1 1 6 LEU HD21 H 4.008 2.363 6.929 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD21 . . . . . . . . . rr_6qyu 1
. 14 . 1459 . 1 1 6 LEU HD22 H 2.630 1.265 6.987 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD22 . . . . . . . . . rr_6qyu 1
. 14 . 1460 . 1 1 6 LEU HD23 H 3.050 2.226 8.398 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD23 . . . . . . . . . rr_6qyu 1
. 14 . 1461 . 1 1 6 LEU HG H 2.695 4.074 6.284 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HG . . . . . . . . . rr_6qyu 1
. 14 . 1462 . 1 1 6 LEU N N 2.093 3.814 3.949 . . . 1.0 . . . . . . . . . . . . A . 6 LEU N . . . . . . . . . rr_6qyu 1
. 14 . 1463 . 1 1 6 LEU O O -0.776 5.487 4.943 . . . 1.0 . . . . . . . . . . . . A . 6 LEU O . . . . . . . . . rr_6qyu 1
. 14 . 1464 . 1 1 7 CYS C C 0.225 7.958 5.185 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . rr_6qyu 1
. 14 . 1465 . 1 1 7 CYS CA C 1.123 7.172 6.132 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . rr_6qyu 1
. 14 . 1466 . 1 1 7 CYS CB C 2.496 7.813 6.214 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . rr_6qyu 1
. 14 . 1467 . 1 1 7 CYS H H 2.220 5.434 5.741 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . rr_6qyu 1
. 14 . 1468 . 1 1 7 CYS HA H 0.681 7.153 7.111 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . rr_6qyu 1
. 14 . 1469 . 1 1 7 CYS HB2 H 3.170 7.215 5.622 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . rr_6qyu 1
. 14 . 1470 . 1 1 7 CYS HB3 H 2.464 8.820 5.829 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . rr_6qyu 1
. 14 . 1471 . 1 1 7 CYS N N 1.329 5.822 5.658 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . rr_6qyu 1
. 14 . 1472 . 1 1 7 CYS O O -0.270 9.031 5.530 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . rr_6qyu 1
. 14 . 1473 . 1 1 7 CYS SG S 3.068 7.826 7.926 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . rr_6qyu 1
. 14 . 1474 . 1 1 8 ALA C C -1.547 7.053 2.146 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_6qyu 1
. 14 . 1475 . 1 1 8 ALA CA C -0.813 8.080 3.003 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_6qyu 1
. 14 . 1476 . 1 1 8 ALA CB C 0.057 8.969 2.118 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_6qyu 1
. 14 . 1477 . 1 1 8 ALA H H 0.444 6.563 3.771 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_6qyu 1
. 14 . 1478 . 1 1 8 ALA HA H -1.538 8.697 3.511 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_6qyu 1
. 14 . 1479 . 1 1 8 ALA HB1 H 0.668 9.607 2.742 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_6qyu 1
. 14 . 1480 . 1 1 8 ALA HB2 H -0.573 9.578 1.488 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_6qyu 1
. 14 . 1481 . 1 1 8 ALA HB3 H 0.694 8.351 1.504 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_6qyu 1
. 14 . 1482 . 1 1 8 ALA N N 0.022 7.418 3.992 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_6qyu 1
. 14 . 1483 . 1 1 8 ALA O O -2.756 6.954 2.280 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_6qyu 1
. 14 . 1484 . 1 1 8 ALA OXT O -0.889 6.381 1.368 . . . 1.0 . . . . . . . . . . . . A . 8 ALA OXT . . . . . . . . . rr_6qyu 1
. 15 . 1485 . 1 1 1 PHE C C 9.735 3.051 7.956 . . . 1.0 . . . . . . . . . . . . A . 1 PHE C . . . . . . . . . rr_6qyu 1
. 15 . 1486 . 1 1 1 PHE CA C 10.773 2.528 6.970 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CA . . . . . . . . . rr_6qyu 1
. 15 . 1487 . 1 1 1 PHE CB C 10.080 1.827 5.799 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CB . . . . . . . . . rr_6qyu 1
. 15 . 1488 . 1 1 1 PHE CD1 C 12.314 1.585 4.659 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CD1 . . . . . . . . . rr_6qyu 1
. 15 . 1489 . 1 1 1 PHE CD2 C 10.415 2.338 3.351 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CD2 . . . . . . . . . rr_6qyu 1
. 15 . 1490 . 1 1 1 PHE CE1 C 13.129 1.669 3.524 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CE1 . . . . . . . . . rr_6qyu 1
. 15 . 1491 . 1 1 1 PHE CE2 C 11.232 2.422 2.216 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CE2 . . . . . . . . . rr_6qyu 1
. 15 . 1492 . 1 1 1 PHE CG C 10.957 1.919 4.573 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CG . . . . . . . . . rr_6qyu 1
. 15 . 1493 . 1 1 1 PHE CZ C 12.588 2.087 2.302 . . . 1.0 . . . . . . . . . . . . A . 1 PHE CZ . . . . . . . . . rr_6qyu 1
. 15 . 1494 . 1 1 1 PHE H1 H 12.654 1.722 7.356 . . . 1.0 . . . . . . . . . . . . A . 1 PHE H1 . . . . . . . . . rr_6qyu 1
. 15 . 1495 . 1 1 1 PHE H2 H 11.389 0.590 7.424 . . . 1.0 . . . . . . . . . . . . A . 1 PHE H2 . . . . . . . . . rr_6qyu 1
. 15 . 1496 . 1 1 1 PHE H3 H 11.608 1.700 8.691 . . . 1.0 . . . . . . . . . . . . A . 1 PHE H3 . . . . . . . . . rr_6qyu 1
. 15 . 1497 . 1 1 1 PHE HA H 11.358 3.355 6.596 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HA . . . . . . . . . rr_6qyu 1
. 15 . 1498 . 1 1 1 PHE HB2 H 9.914 0.789 6.047 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HB2 . . . . . . . . . rr_6qyu 1
. 15 . 1499 . 1 1 1 PHE HB3 H 9.133 2.306 5.600 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HB3 . . . . . . . . . rr_6qyu 1
. 15 . 1500 . 1 1 1 PHE HD1 H 12.732 1.262 5.601 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HD1 . . . . . . . . . rr_6qyu 1
. 15 . 1501 . 1 1 1 PHE HD2 H 9.369 2.597 3.284 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HD2 . . . . . . . . . rr_6qyu 1
. 15 . 1502 . 1 1 1 PHE HE1 H 14.176 1.412 3.591 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HE1 . . . . . . . . . rr_6qyu 1
. 15 . 1503 . 1 1 1 PHE HE2 H 10.815 2.744 1.273 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HE2 . . . . . . . . . rr_6qyu 1
. 15 . 1504 . 1 1 1 PHE HZ H 13.217 2.152 1.426 . . . 1.0 . . . . . . . . . . . . A . 1 PHE HZ . . . . . . . . . rr_6qyu 1
. 15 . 1505 . 1 1 1 PHE N N 11.674 1.562 7.663 . . . 1.0 . . . . . . . . . . . . A . 1 PHE N . . . . . . . . . rr_6qyu 1
. 15 . 1506 . 1 1 1 PHE O O 9.640 2.571 9.085 . . . 1.0 . . . . . . . . . . . . A . 1 PHE O . . . . . . . . . rr_6qyu 1
. 15 . 1507 . 1 1 2 DHA C C 6.855 5.163 7.638 . . . 1.0 . . . . . . . . . . . . A . 2 DHA C . . . . . . . . . rr_6qyu 1
. 15 . 1508 . 1 1 2 DHA CA C 7.980 4.581 8.377 . . . 1.0 . . . . . . . . . . . . A . 2 DHA CA . . . . . . . . . rr_6qyu 1
. 15 . 1509 . 1 1 2 DHA CB C 7.963 4.634 9.705 . . . 1.0 . . . . . . . . . . . . A . 2 DHA CB . . . . . . . . . rr_6qyu 1
. 15 . 1510 . 1 1 2 DHA H H 9.014 4.443 6.632 . . . 1.0 . . . . . . . . . . . . A . 2 DHA H . . . . . . . . . rr_6qyu 1
. 15 . 1511 . 1 1 2 DHA HB1 H 8.765 4.234 10.258 . . . 1.0 . . . . . . . . . . . . A . 2 DHA HB1 . . . . . . . . . rr_6qyu 1
. 15 . 1512 . 1 1 2 DHA HB2 H 7.128 5.081 10.224 . . . 1.0 . . . . . . . . . . . . A . 2 DHA HB2 . . . . . . . . . rr_6qyu 1
. 15 . 1513 . 1 1 2 DHA N N 8.945 4.053 7.528 . . . 1.0 . . . . . . . . . . . . A . 2 DHA N . . . . . . . . . rr_6qyu 1
. 15 . 1514 . 1 1 2 DHA O O 6.096 4.496 6.935 . . . 1.0 . . . . . . . . . . . . A . 2 DHA O . . . . . . . . . rr_6qyu 1
. 15 . 1515 . 1 1 3 DAL C C 5.705 7.100 5.678 . . . 1.0 . . . . . . . . . . . . A . 3 DAL C . . . . . . . . . rr_6qyu 1
. 15 . 1516 . 1 1 3 DAL CA C 5.600 7.153 7.205 . . . 1.0 . . . . . . . . . . . . A . 3 DAL CA . . . . . . . . . rr_6qyu 1
. 15 . 1517 . 1 1 3 DAL CB C 4.300 6.523 7.699 . . . 1.0 . . . . . . . . . . . . A . 3 DAL CB . . . . . . . . . rr_6qyu 1
. 15 . 1518 . 1 1 3 DAL H H 7.299 6.979 8.426 . . . 1.0 . . . . . . . . . . . . A . 3 DAL H . . . . . . . . . rr_6qyu 1
. 15 . 1519 . 1 1 3 DAL HA H 5.620 8.174 7.516 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HA . . . . . . . . . rr_6qyu 1
. 15 . 1520 . 1 1 3 DAL HB1 H 4.484 6.032 8.644 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HB1 . . . . . . . . . rr_6qyu 1
. 15 . 1521 . 1 1 3 DAL HB2 H 3.965 5.796 6.988 . . . 1.0 . . . . . . . . . . . . A . 3 DAL HB2 . . . . . . . . . rr_6qyu 1
. 15 . 1522 . 1 1 3 DAL N N 6.701 6.472 7.836 . . . 1.0 . . . . . . . . . . . . A . 3 DAL N . . . . . . . . . rr_6qyu 1
. 15 . 1523 . 1 1 3 DAL O O 5.105 7.916 4.981 . . . 1.0 . . . . . . . . . . . . A . 3 DAL O . . . . . . . . . rr_6qyu 1
. 15 . 1524 . 1 1 4 LEU C C 5.753 5.047 3.066 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . rr_6qyu 1
. 15 . 1525 . 1 1 4 LEU CA C 6.692 6.074 3.713 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . rr_6qyu 1
. 15 . 1526 . 1 1 4 LEU CB C 8.159 5.716 3.419 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . rr_6qyu 1
. 15 . 1527 . 1 1 4 LEU CD1 C 7.980 4.468 1.237 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . rr_6qyu 1
. 15 . 1528 . 1 1 4 LEU CD2 C 7.779 6.964 1.255 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . rr_6qyu 1
. 15 . 1529 . 1 1 4 LEU CG C 8.462 5.758 1.909 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . rr_6qyu 1
. 15 . 1530 . 1 1 4 LEU H H 6.998 5.568 5.758 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . rr_6qyu 1
. 15 . 1531 . 1 1 4 LEU HA H 6.479 7.038 3.287 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . rr_6qyu 1
. 15 . 1532 . 1 1 4 LEU HB2 H 8.801 6.423 3.925 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . rr_6qyu 1
. 15 . 1533 . 1 1 4 LEU HB3 H 8.363 4.724 3.794 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . rr_6qyu 1
. 15 . 1534 . 1 1 4 LEU HD11 H 7.260 4.708 0.470 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . rr_6qyu 1
. 15 . 1535 . 1 1 4 LEU HD12 H 7.525 3.824 1.973 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . rr_6qyu 1
. 15 . 1536 . 1 1 4 LEU HD13 H 8.823 3.961 0.791 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . rr_6qyu 1
. 15 . 1537 . 1 1 4 LEU HD21 H 6.724 6.768 1.142 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . rr_6qyu 1
. 15 . 1538 . 1 1 4 LEU HD22 H 8.216 7.137 0.283 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . rr_6qyu 1
. 15 . 1539 . 1 1 4 LEU HD23 H 7.921 7.838 1.872 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . rr_6qyu 1
. 15 . 1540 . 1 1 4 LEU HG H 9.532 5.842 1.772 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . rr_6qyu 1
. 15 . 1541 . 1 1 4 LEU N N 6.504 6.171 5.161 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . rr_6qyu 1
. 15 . 1542 . 1 1 4 LEU O O 5.596 5.034 1.847 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . rr_6qyu 1
. 15 . 1543 . 1 1 5 DHA C C 3.112 2.977 4.162 . . . 1.0 . . . . . . . . . . . . A . 5 DHA C . . . . . . . . . rr_6qyu 1
. 15 . 1544 . 1 1 5 DHA CA C 4.242 3.243 3.303 . . . 1.0 . . . . . . . . . . . . A . 5 DHA CA . . . . . . . . . rr_6qyu 1
. 15 . 1545 . 1 1 5 DHA CB C 4.307 2.633 2.146 . . . 1.0 . . . . . . . . . . . . A . 5 DHA CB . . . . . . . . . rr_6qyu 1
. 15 . 1546 . 1 1 5 DHA H H 5.203 4.173 4.842 . . . 1.0 . . . . . . . . . . . . A . 5 DHA H . . . . . . . . . rr_6qyu 1
. 15 . 1547 . 1 1 5 DHA HB1 H 5.108 2.828 1.515 . . . 1.0 . . . . . . . . . . . . A . 5 DHA HB1 . . . . . . . . . rr_6qyu 1
. 15 . 1548 . 1 1 5 DHA HB2 H 3.544 1.928 1.852 . . . 1.0 . . . . . . . . . . . . A . 5 DHA HB2 . . . . . . . . . rr_6qyu 1
. 15 . 1549 . 1 1 5 DHA N N 5.108 4.180 3.868 . . . 1.0 . . . . . . . . . . . . A . 5 DHA N . . . . . . . . . rr_6qyu 1
. 15 . 1550 . 1 1 5 DHA O O 3.106 2.043 4.943 . . . 1.0 . . . . . . . . . . . . A . 5 DHA O . . . . . . . . . rr_6qyu 1
. 15 . 1551 . 1 1 6 LEU C C 0.379 5.066 5.179 . . . 1.0 . . . . . . . . . . . . A . 6 LEU C . . . . . . . . . rr_6qyu 1
. 15 . 1552 . 1 1 6 LEU CA C 0.867 3.693 4.751 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CA . . . . . . . . . rr_6qyu 1
. 15 . 1553 . 1 1 6 LEU CB C 1.099 2.848 6.004 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CB . . . . . . . . . rr_6qyu 1
. 15 . 1554 . 1 1 6 LEU CD1 C 1.708 4.135 8.061 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD1 . . . . . . . . . rr_6qyu 1
. 15 . 1555 . 1 1 6 LEU CD2 C 3.257 2.341 7.267 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD2 . . . . . . . . . rr_6qyu 1
. 15 . 1556 . 1 1 6 LEU CG C 2.267 3.435 6.822 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CG . . . . . . . . . rr_6qyu 1
. 15 . 1557 . 1 1 6 LEU H H 2.169 4.531 3.297 . . . 1.0 . . . . . . . . . . . . A . 6 LEU H . . . . . . . . . rr_6qyu 1
. 15 . 1558 . 1 1 6 LEU HA H 0.122 3.222 4.138 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HA . . . . . . . . . rr_6qyu 1
. 15 . 1559 . 1 1 6 LEU HB2 H 0.203 2.864 6.606 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB2 . . . . . . . . . rr_6qyu 1
. 15 . 1560 . 1 1 6 LEU HB3 H 1.317 1.841 5.710 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB3 . . . . . . . . . rr_6qyu 1
. 15 . 1561 . 1 1 6 LEU HD11 H 1.051 3.460 8.590 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD11 . . . . . . . . . rr_6qyu 1
. 15 . 1562 . 1 1 6 LEU HD12 H 1.156 5.013 7.761 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD12 . . . . . . . . . rr_6qyu 1
. 15 . 1563 . 1 1 6 LEU HD13 H 2.522 4.426 8.709 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD13 . . . . . . . . . rr_6qyu 1
. 15 . 1564 . 1 1 6 LEU HD21 H 3.411 2.407 8.331 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD21 . . . . . . . . . rr_6qyu 1
. 15 . 1565 . 1 1 6 LEU HD22 H 4.203 2.489 6.762 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD22 . . . . . . . . . rr_6qyu 1
. 15 . 1566 . 1 1 6 LEU HD23 H 2.870 1.364 7.019 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD23 . . . . . . . . . rr_6qyu 1
. 15 . 1567 . 1 1 6 LEU HG H 2.789 4.158 6.219 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HG . . . . . . . . . rr_6qyu 1
. 15 . 1568 . 1 1 6 LEU N N 2.099 3.821 3.976 . . . 1.0 . . . . . . . . . . . . A . 6 LEU N . . . . . . . . . rr_6qyu 1
. 15 . 1569 . 1 1 6 LEU O O -0.805 5.392 5.090 . . . 1.0 . . . . . . . . . . . . A . 6 LEU O . . . . . . . . . rr_6qyu 1
. 15 . 1570 . 1 1 7 CYS C C 0.199 7.996 5.155 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . rr_6qyu 1
. 15 . 1571 . 1 1 7 CYS CA C 1.094 7.204 6.110 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . rr_6qyu 1
. 15 . 1572 . 1 1 7 CYS CB C 2.458 7.865 6.220 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . rr_6qyu 1
. 15 . 1573 . 1 1 7 CYS H H 2.239 5.508 5.680 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . rr_6qyu 1
. 15 . 1574 . 1 1 7 CYS HA H 0.638 7.175 7.084 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . rr_6qyu 1
. 15 . 1575 . 1 1 7 CYS HB2 H 3.143 7.312 5.598 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . rr_6qyu 1
. 15 . 1576 . 1 1 7 CYS HB3 H 2.405 8.890 5.888 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . rr_6qyu 1
. 15 . 1577 . 1 1 7 CYS N N 1.329 5.852 5.645 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . rr_6qyu 1
. 15 . 1578 . 1 1 7 CYS O O -0.068 9.175 5.388 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . rr_6qyu 1
. 15 . 1579 . 1 1 7 CYS SG S 3.036 7.804 7.929 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . rr_6qyu 1
. 15 . 1580 . 1 1 8 ALA C C -1.890 9.158 3.770 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_6qyu 1
. 15 . 1581 . 1 1 8 ALA CA C -1.127 8.009 3.118 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_6qyu 1
. 15 . 1582 . 1 1 8 ALA CB C -2.123 7.001 2.550 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_6qyu 1
. 15 . 1583 . 1 1 8 ALA H H -0.018 6.413 3.951 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_6qyu 1
. 15 . 1584 . 1 1 8 ALA HA H -0.523 8.398 2.312 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_6qyu 1
. 15 . 1585 . 1 1 8 ALA HB1 H -1.624 6.368 1.831 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_6qyu 1
. 15 . 1586 . 1 1 8 ALA HB2 H -2.932 7.528 2.068 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_6qyu 1
. 15 . 1587 . 1 1 8 ALA HB3 H -2.515 6.394 3.352 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_6qyu 1
. 15 . 1588 . 1 1 8 ALA N N -0.262 7.349 4.089 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_6qyu 1
. 15 . 1589 . 1 1 8 ALA O O -1.689 10.288 3.354 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_6qyu 1
. 15 . 1590 . 1 1 8 ALA OXT O -2.663 8.891 4.674 . . . 1.0 . . . . . . . . . . . . A . 8 ALA OXT . . . . . . . . . rr_6qyu 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_6qyu
_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 6qyu.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_6qyu 1
1 6qyu.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 3 rr_6qyu 1
1 6qyu.mr . . XPLOR/CNS 3 distance NOE simple 39 rr_6qyu 1
1 6qyu.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_6qyu 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_6qyu
_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: '6qyu'" . . . . distance "general distance" . 17 rr_6qyu 1
2 "From CCPN project: '6qyu'" . . . . "dihedral angle" "Not applicable" . 3 rr_6qyu 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 6qyu.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_6qyu 1
1 6qyu.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 3 rr_6qyu 1
1 6qyu.mr . . XPLOR/CNS 3 distance NOE simple 39 rr_6qyu 1
1 6qyu.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_6qyu 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_6qyu
_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 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_6qyu 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 6 6 LEU MD2 H . . . 1 1 7 7 CYS H H . . . . . 4.5 3.6 5.4 . . . . . A . 6 LEU MD2 . . A . 7 CYS H . . . 6 . HD2# . . . . . 7 . HN . . rr_6qyu 1
2 1 . . 1 1 4 4 LEU H H . . . 1 1 3 3 DAL HB1 H . . . . . 3.4 2.7 4.1 . . . . . A . 4 LEU H . . A . 3 DAL HB1 . . . 4 . HN . . . . . 3 . HB2 . . rr_6qyu 1
3 1 . . 1 1 4 4 LEU H H . . . 1 1 3 3 DAL HB1 H . . . . . 3.3 2.6 4.0 . . . . . A . 4 LEU H . . A . 3 DAL HB1 . . . 4 . HN . . . . . 3 . HB1 . . rr_6qyu 1
4 1 . . 1 1 8 8 ALA H H . . . 1 1 7 7 CYS HB2 H . . . . . 3.4 2.7 4.1 . . . . . A . 8 ALA H . . A . 7 CYS HB2 . . . 8 . HN . . . . . 7 . HB2 . . rr_6qyu 1
5 1 . . 1 1 8 8 ALA H H . . . 1 1 7 7 CYS HB3 H . . . . . 3.7 3.0 4.4 . . . . . A . 8 ALA H . . A . 7 CYS HB3 . . . 8 . HN . . . . . 7 . HB1 . . rr_6qyu 1
6 1 . . 1 1 7 7 CYS H H . . . 1 1 6 6 LEU HA H . . . . . 2.8 2.2 3.4 . . . . . A . 7 CYS H . . A . 6 LEU HA . . . 7 . HN . . . . . 6 . HA . . rr_6qyu 1
7 1 . . 1 1 7 7 CYS H H . . . 1 1 8 8 ALA H H . . . . . 3.6 2.9 4.3 . . . . . A . 7 CYS H . . A . 8 ALA H . . . 7 . HN . . . . . 8 . HN . . rr_6qyu 1
8 1 . . 1 1 7 7 CYS H H . . . 1 1 6 6 LEU H H . . . . . 3.4 2.7 4.1 . . . . . A . 7 CYS H . . A . 6 LEU H . . . 7 . HN . . . . . 6 . HN . . rr_6qyu 1
9 1 . . 1 1 8 8 ALA H H . . . 1 1 7 7 CYS HA H . . . . . 2.8 2.2 3.4 . . . . . A . 8 ALA H . . A . 7 CYS HA . . . 8 . HN . . . . . 7 . HA . . rr_6qyu 1
10 1 . . 1 1 4 4 LEU H H . . . 1 1 3 3 DAL HA H . . . . . 3.3 2.6 4.0 . . . . . A . 4 LEU H . . A . 3 DAL HA . . . 4 . HN . . . . . 3 . HA . . rr_6qyu 1
11 1 . . 1 1 6 6 LEU H H . . . 1 1 7 7 CYS HA H . . . . . 4.4 3.5 5.3 . . . . . A . 6 LEU H . . A . 7 CYS HA . . . 6 . HN . . . . . 7 . HA . . rr_6qyu 1
12 1 OR . 1 1 7 7 CYS H H . . . 1 1 6 6 LEU HB2 H . . . . . 4.3 3.4 5.2 . . . . . A . 7 CYS H . . A . 6 LEU HB2 . . . 7 . HN . . . . . 6 . HB# . . rr_6qyu 1
12 2 OR . 1 1 7 7 CYS H H . . . 1 1 6 6 LEU HB3 H . . . . . 4.3 3.4 5.2 . . . . . A . 7 CYS H . . A . 6 LEU HB3 . . . 7 . HN . . . . . 6 . HB# . . rr_6qyu 1
13 1 . . 1 1 7 7 CYS HA H . . . 1 1 8 8 ALA MB H . . . . . 4.6 3.7 5.5 . . . . . A . 7 CYS HA . . A . 8 ALA MB . . . 7 . HA . . . . . 8 . HB# . . rr_6qyu 1
14 1 OR . 1 1 7 7 CYS HB2 H . . . 1 1 6 6 LEU HB2 H . . . . . 4.4 3.5 5.3 . . . . . A . 7 CYS HB2 . . A . 6 LEU HB2 . . . 7 . HB2 . . . . . 6 . HB# . . rr_6qyu 1
14 2 OR . 1 1 7 7 CYS HB2 H . . . 1 1 6 6 LEU HB3 H . . . . . 4.4 3.5 5.3 . . . . . A . 7 CYS HB2 . . A . 6 LEU HB3 . . . 7 . HB2 . . . . . 6 . HB# . . rr_6qyu 1
15 1 . . 1 1 4 4 LEU HA H . . . 1 1 6 6 LEU H H . . . . . 4.1 3.3 4.9 . . . . . A . 4 LEU HA . . A . 6 LEU H . . . 4 . HA . . . . . 6 . HN . . rr_6qyu 1
16 1 . . 1 1 7 7 CYS H H . . . 1 1 3 3 DAL HB1 H . . . . . 3.5 2.8 4.2 . . . . . A . 7 CYS H . . A . 3 DAL HB1 . . . 7 . HN . . . . . 3 . HB1 . . rr_6qyu 1
17 1 . . 1 1 7 7 CYS HB3 H . . . 1 1 3 3 DAL HA H . . . . . 3.0 2.4 3.6 . . . . . A . 7 CYS HB3 . . A . 3 DAL HA . . . 7 . HB1 . . . . . 3 . HA . . rr_6qyu 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 "# Restraints file 2: noe_nointra.tbl" 1 1 1 36 rr_6qyu 1
stop_
loop_
_Gen_dist_constraint_comment_org.ID
_Gen_dist_constraint_comment_org.Comment_text
_Gen_dist_constraint_comment_org.Comment_begin_line
_Gen_dist_constraint_comment_org.Comment_begin_column
_Gen_dist_constraint_comment_org.Comment_end_line
_Gen_dist_constraint_comment_org.Comment_end_column
_Gen_dist_constraint_comment_org.Entry_ID
_Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID
1
;echo=false
wrnlev=0
;
2 1 4 16 rr_6qyu 1
2
;Interresidue
i-i+1
;
5 1 6 7 rr_6qyu 1
3 i-i+2 39 1 39 7 rr_6qyu 1
4 i-i+5 45 1 45 7 rr_6qyu 1
5
;echo=true
wrnlev=5
;
48 1 50 16 rr_6qyu 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 3 1 1 "Not handling restraint 1, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_6qyu 1
2 3 2 1 "Not handling restraint 2, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_6qyu 1
3 3 9 1 "Not handling restraint 9, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_6qyu 1
4 3 10 1 "Not handling restraint 10, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_6qyu 1
5 3 13 1 "Not handling restraint 13, item 1, resonance(s) ' .3.HN' (nmrStar names) not linked" rr_6qyu 1
6 3 14 1 "Not handling restraint 14, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_6qyu 1
7 3 15 1 "Not handling restraint 15, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_6qyu 1
8 3 16 1 "Not handling restraint 16, item 1, resonance(s) ' .5.HB1' (nmrStar names) not linked" rr_6qyu 1
9 3 17 1 "Not handling restraint 17, item 1, resonance(s) ' .2.HB1' (nmrStar names) not linked" rr_6qyu 1
10 3 18 1 "Not handling restraint 18, item 1, resonance(s) ' .5.HB1' (nmrStar names) not linked" rr_6qyu 1
11 3 19 1 "Not handling restraint 19, item 1, resonance(s) ' .5.HB1' (nmrStar names) not linked" rr_6qyu 1
12 3 20 1 "Not handling restraint 20, item 1, resonance(s) ' .5.HB1' (nmrStar names) not linked" rr_6qyu 1
13 3 21 1 "Not handling restraint 21, item 1, resonance(s) ' .2.HB1' (nmrStar names) not linked" rr_6qyu 1
14 3 25 1 "Not handling restraint 25, item 1, resonance(s) ' .5.HB1' (nmrStar names) not linked" rr_6qyu 1
15 3 26 1 "Not handling restraint 26, item 1, resonance(s) ' .5.HB2' (nmrStar names) not linked" rr_6qyu 1
16 3 27 1 "Not handling restraint 27, item 1, resonance(s) ' .3.HN' (nmrStar names),' .2.HB1' (nmrStar names) not linked" rr_6qyu 1
17 3 28 1 "Not handling restraint 28, item 1, resonance(s) ' .3.HN' (nmrStar names),' .2.HB2' (nmrStar names) not linked" rr_6qyu 1
18 3 29 1 "Not handling restraint 29, item 1, resonance(s) ' .2.HB1' (nmrStar names) not linked" rr_6qyu 1
19 3 33 1 "Not handling restraint 33, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_6qyu 1
20 3 34 1 "Not handling restraint 34, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_6qyu 1
21 3 35 1 "Not handling restraint 35, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_6qyu 1
22 3 37 1 "Not handling restraint 37, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_6qyu 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_6qyu
_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 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_6qyu 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_6qyu 1
2 1 . . . rr_6qyu 1
3 1 . . . rr_6qyu 1
4 1 . . . rr_6qyu 1
5 1 . . . rr_6qyu 1
6 1 . . . rr_6qyu 1
7 1 . . . rr_6qyu 1
8 1 . . . rr_6qyu 1
9 1 . . . rr_6qyu 1
10 1 . . . rr_6qyu 1
11 1 . . . rr_6qyu 1
12 1 2 . OR rr_6qyu 1
12 2 . 3 . rr_6qyu 1
12 3 . . . rr_6qyu 1
13 1 . . . rr_6qyu 1
14 1 2 . OR rr_6qyu 1
14 2 . 3 . rr_6qyu 1
14 3 . . . rr_6qyu 1
15 1 . . . rr_6qyu 1
16 1 . . . rr_6qyu 1
17 1 . . . rr_6qyu 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 6 6 LEU MD2 H . . . . 6 . HD2# rr_6qyu 1
1 1 . 2 . 1 1 7 7 CYS H H . . . . 7 . HN rr_6qyu 1
2 1 . 1 . 1 1 4 4 LEU H H . . . . 4 . HN rr_6qyu 1
2 1 . 2 . 1 1 3 3 DAL HB1 H . . . . 3 . HB2 rr_6qyu 1
3 1 . 1 . 1 1 3 3 DAL HB1 H . . . . 3 . HB1 rr_6qyu 1
3 1 . 2 . 1 1 4 4 LEU H H . . . . 4 . HN rr_6qyu 1
4 1 . 1 . 1 1 8 8 ALA H H . . . . 8 . HN rr_6qyu 1
4 1 . 2 . 1 1 7 7 CYS HB2 H . . . . 7 . HB2 rr_6qyu 1
5 1 . 1 . 1 1 8 8 ALA H H . . . . 8 . HN rr_6qyu 1
5 1 . 2 . 1 1 7 7 CYS HB3 H . . . . 7 . HB1 rr_6qyu 1
6 1 . 1 . 1 1 6 6 LEU HA H . . . . 6 . HA rr_6qyu 1
6 1 . 2 . 1 1 7 7 CYS H H . . . . 7 . HN rr_6qyu 1
7 1 . 1 . 1 1 8 8 ALA H H . . . . 8 . HN rr_6qyu 1
7 1 . 2 . 1 1 7 7 CYS H H . . . . 7 . HN rr_6qyu 1
8 1 . 1 . 1 1 6 6 LEU H H . . . . 6 . HN rr_6qyu 1
8 1 . 2 . 1 1 7 7 CYS H H . . . . 7 . HN rr_6qyu 1
9 1 . 1 . 1 1 8 8 ALA H H . . . . 8 . HN rr_6qyu 1
9 1 . 2 . 1 1 7 7 CYS HA H . . . . 7 . HA rr_6qyu 1
10 1 . 1 . 1 1 3 3 DAL HA H . . . . 3 . HA rr_6qyu 1
10 1 . 2 . 1 1 4 4 LEU H H . . . . 4 . HN rr_6qyu 1
11 1 . 1 . 1 1 6 6 LEU H H . . . . 6 . HN rr_6qyu 1
11 1 . 2 . 1 1 7 7 CYS HA H . . . . 7 . HA rr_6qyu 1
12 2 . 1 . 1 1 6 6 LEU HB2 H . . . . 6 . HB# rr_6qyu 1
12 2 . 2 . 1 1 7 7 CYS H H . . . . 7 . HN rr_6qyu 1
12 3 . 1 . 1 1 6 6 LEU HB3 H . . . . 6 . HB# rr_6qyu 1
12 3 . 2 . 1 1 7 7 CYS H H . . . . 7 . HN rr_6qyu 1
13 1 . 1 . 1 1 8 8 ALA MB H . . . . 8 . HB# rr_6qyu 1
13 1 . 2 . 1 1 7 7 CYS HA H . . . . 7 . HA rr_6qyu 1
14 2 . 1 . 1 1 6 6 LEU HB2 H . . . . 6 . HB# rr_6qyu 1
14 2 . 2 . 1 1 7 7 CYS HB2 H . . . . 7 . HB2 rr_6qyu 1
14 3 . 1 . 1 1 6 6 LEU HB3 H . . . . 6 . HB# rr_6qyu 1
14 3 . 2 . 1 1 7 7 CYS HB2 H . . . . 7 . HB2 rr_6qyu 1
15 1 . 1 . 1 1 6 6 LEU H H . . . . 6 . HN rr_6qyu 1
15 1 . 2 . 1 1 4 4 LEU HA H . . . . 4 . HA rr_6qyu 1
16 1 . 1 . 1 1 3 3 DAL HB1 H . . . . 3 . HB1 rr_6qyu 1
16 1 . 2 . 1 1 7 7 CYS H H . . . . 7 . HN rr_6qyu 1
17 1 . 1 . 1 1 3 3 DAL HA H . . . . 3 . HA rr_6qyu 1
17 1 . 2 . 1 1 7 7 CYS HB3 H . . . . 7 . HB1 rr_6qyu 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 . . . . . . 4.5 3.6 5.4 rr_6qyu 1
2 1 . . . . . . 3.4 2.7 4.1 rr_6qyu 1
3 1 . . . . . . 3.3 2.6 4.0 rr_6qyu 1
4 1 . . . . . . 3.4 2.7 4.1 rr_6qyu 1
5 1 . . . . . . 3.7 3.0 4.4 rr_6qyu 1
6 1 . . . . . . 2.8 2.2 3.4 rr_6qyu 1
7 1 . . . . . . 3.6 2.9 4.3 rr_6qyu 1
8 1 . . . . . . 3.4 2.7 4.1 rr_6qyu 1
9 1 . . . . . . 2.8 2.2 3.4 rr_6qyu 1
10 1 . . . . . . 3.3 2.6 4.0 rr_6qyu 1
11 1 . . . . . . 4.4 3.5 5.3 rr_6qyu 1
12 2 . . . . . . 4.3 3.4 5.2 rr_6qyu 1
12 3 . . . . . . 4.3 3.4 5.2 rr_6qyu 1
13 1 . . . . . . 4.6 3.7 5.5 rr_6qyu 1
14 2 . . . . . . 4.4 3.5 5.3 rr_6qyu 1
14 3 . . . . . . 4.4 3.5 5.3 rr_6qyu 1
15 1 . . . . . . 4.1 3.3 4.9 rr_6qyu 1
16 1 . . . . . . 3.5 2.8 4.2 rr_6qyu 1
17 1 . . . . . . 3.0 2.4 3.6 rr_6qyu 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 "# Restraints file 2: noe_nointra.tbl" 1 1 1 36 rr_6qyu 1
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1
;echo=false
wrnlev=0
;
2 1 4 16 rr_6qyu 1
2
;Interresidue
i-i+1
;
5 1 6 7 rr_6qyu 1
3 i-i+2 39 1 39 7 rr_6qyu 1
4 i-i+5 45 1 45 7 rr_6qyu 1
5
;echo=true
wrnlev=5
;
48 1 50 16 rr_6qyu 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 3 1 1 "Not handling restraint 1, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_6qyu 1
2 3 2 1 "Not handling restraint 2, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_6qyu 1
3 3 9 1 "Not handling restraint 9, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_6qyu 1
4 3 10 1 "Not handling restraint 10, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_6qyu 1
5 3 13 1 "Not handling restraint 13, item 1, resonance(s) ' .3.HN' (nmrStar names) not linked" rr_6qyu 1
6 3 14 1 "Not handling restraint 14, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_6qyu 1
7 3 15 1 "Not handling restraint 15, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_6qyu 1
8 3 16 1 "Not handling restraint 16, item 1, resonance(s) ' .5.HB1' (nmrStar names) not linked" rr_6qyu 1
9 3 17 1 "Not handling restraint 17, item 1, resonance(s) ' .2.HB1' (nmrStar names) not linked" rr_6qyu 1
10 3 18 1 "Not handling restraint 18, item 1, resonance(s) ' .5.HB1' (nmrStar names) not linked" rr_6qyu 1
11 3 19 1 "Not handling restraint 19, item 1, resonance(s) ' .5.HB1' (nmrStar names) not linked" rr_6qyu 1
12 3 20 1 "Not handling restraint 20, item 1, resonance(s) ' .5.HB1' (nmrStar names) not linked" rr_6qyu 1
13 3 21 1 "Not handling restraint 21, item 1, resonance(s) ' .2.HB1' (nmrStar names) not linked" rr_6qyu 1
14 3 25 1 "Not handling restraint 25, item 1, resonance(s) ' .5.HB1' (nmrStar names) not linked" rr_6qyu 1
15 3 26 1 "Not handling restraint 26, item 1, resonance(s) ' .5.HB2' (nmrStar names) not linked" rr_6qyu 1
16 3 27 1 "Not handling restraint 27, item 1, resonance(s) ' .3.HN' (nmrStar names),' .2.HB1' (nmrStar names) not linked" rr_6qyu 1
17 3 28 1 "Not handling restraint 28, item 1, resonance(s) ' .3.HN' (nmrStar names),' .2.HB2' (nmrStar names) not linked" rr_6qyu 1
18 3 29 1 "Not handling restraint 29, item 1, resonance(s) ' .2.HB1' (nmrStar names) not linked" rr_6qyu 1
19 3 33 1 "Not handling restraint 33, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_6qyu 1
20 3 34 1 "Not handling restraint 34, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_6qyu 1
21 3 35 1 "Not handling restraint 35, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_6qyu 1
22 3 37 1 "Not handling restraint 37, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_6qyu 1
stop_
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Sf_framecode CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Entry_ID rr_6qyu
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Details "Generated by Wattos"
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 2
loop_
_Torsion_angle_constraint_software.Software_ID
_Torsion_angle_constraint_software.Software_label
_Torsion_angle_constraint_software.Method_ID
_Torsion_angle_constraint_software.Method_label
_Torsion_angle_constraint_software.Entry_ID
_Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID
. . . . rr_6qyu 1
stop_
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Atom_type_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Atom_type_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Atom_type_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Atom_type_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.PDB_record_ID_1
_Torsion_angle_constraint.PDB_model_num_1
_Torsion_angle_constraint.PDB_strand_ID_1
_Torsion_angle_constraint.PDB_ins_code_1
_Torsion_angle_constraint.PDB_residue_no_1
_Torsion_angle_constraint.PDB_residue_name_1
_Torsion_angle_constraint.PDB_atom_name_1
_Torsion_angle_constraint.PDB_record_ID_2
_Torsion_angle_constraint.PDB_model_num_2
_Torsion_angle_constraint.PDB_strand_ID_2
_Torsion_angle_constraint.PDB_ins_code_2
_Torsion_angle_constraint.PDB_residue_no_2
_Torsion_angle_constraint.PDB_residue_name_2
_Torsion_angle_constraint.PDB_atom_name_2
_Torsion_angle_constraint.PDB_record_ID_3
_Torsion_angle_constraint.PDB_model_num_3
_Torsion_angle_constraint.PDB_strand_ID_3
_Torsion_angle_constraint.PDB_ins_code_3
_Torsion_angle_constraint.PDB_residue_no_3
_Torsion_angle_constraint.PDB_residue_name_3
_Torsion_angle_constraint.PDB_atom_name_3
_Torsion_angle_constraint.PDB_record_ID_4
_Torsion_angle_constraint.PDB_model_num_4
_Torsion_angle_constraint.PDB_strand_ID_4
_Torsion_angle_constraint.PDB_ins_code_4
_Torsion_angle_constraint.PDB_residue_no_4
_Torsion_angle_constraint.PDB_residue_name_4
_Torsion_angle_constraint.PDB_atom_name_4
_Torsion_angle_constraint.Auth_entity_assembly_ID_1
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_chain_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_alt_ID_1
_Torsion_angle_constraint.Auth_atom_name_1
_Torsion_angle_constraint.Auth_entity_assembly_ID_2
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_chain_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_alt_ID_2
_Torsion_angle_constraint.Auth_atom_name_2
_Torsion_angle_constraint.Auth_entity_assembly_ID_3
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_chain_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_alt_ID_3
_Torsion_angle_constraint.Auth_atom_name_3
_Torsion_angle_constraint.Auth_entity_assembly_ID_4
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_chain_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Auth_alt_ID_4
_Torsion_angle_constraint.Auth_atom_name_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . 1 1 2 2 DHA C C . . 1 1 3 3 DAL N N . . 1 1 3 3 DAL CA C . . 1 1 3 3 DAL C C . -175.7 -15.7 . . . A . 2 DHA C . . A . 3 DAL N . . A . 3 DAL CA . . A . 3 DAL C . . . 2 . C . . . . . 3 . N . . . . . 3 . CA . . . . . 3 . C . . rr_6qyu 1
2 . . 1 1 6 6 LEU C C . . 1 1 7 7 CYS N N . . 1 1 7 7 CYS CA C . . 1 1 7 7 CYS C C . -175.7 -15.7 . . . A . 6 LEU C . . A . 7 CYS N . . A . 7 CYS CA . . A . 7 CYS C . . . 6 . C . . . . . 7 . N . . . . . 7 . CA . . . . . 7 . C . . rr_6qyu 1
3 . . 1 1 7 7 CYS C C . . 1 1 8 8 ALA N N . . 1 1 8 8 ALA CA C . . 1 1 8 8 ALA C C . -146.3 -26.3 . . . A . 7 CYS C . . A . 8 ALA N . . A . 8 ALA CA . . A . 8 ALA C . . . 7 . C . . . . . 8 . N . . . . . 8 . CA . . . . . 8 . C . . rr_6qyu 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1
;phi
calc
;
3 1 4 6 rr_6qyu 1
stop_
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1 "# Restraints file 1: dihe.tbl" 1 1 1 29 rr_6qyu 1
stop_
save_
save_MR_file_comment_1
_Org_constr_file_comment.Sf_framecode MR_file_comment_1
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID rr_6qyu
_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 09-MAR-19 6QYU *TITLE SOLUTION NMR OF SYNTHETIC ANALOGUES OF NISIN AND MUTACIN RING A AND *TITLE 2 RING B - MUTACIN I RING A *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: PHE-DHA-DAL-LEU-DHA-LEU-CYS-ALA; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: LACTOCOCCUS LACTIS; *SOURCE 4 ORGANISM_TAXID: 1358 *KEYWDS PEPTIDE ANTIBIOTIC, LANTIBIOTIC, ANTIMICROBIAL, BACTERIOCIN, *KEYWDS 2 THIOESTER, ANTIBIOTIC *EXPDTA SOLUTION NMR *NUMMDL 15 *AUTHOR R.DICKMAN,S.A.MITCHELL,A.FIGUEIREDO,D.F.HANSEN,A.B.TABOR *REVDAT 1 11-SEP-19 6QYU 0"
save_
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