NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
641963 |
6qyt   |
34371 | cing | 3-converted-DOCR | STAR | entry | full | 29 |
data_DOCR_restraints_with_modified_coordinates_PDB_code_6qyt
# This DOCR archive file contains, for PDB entry <6qyt>:
#
# - 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_6qyt
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 6qyt"
_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 6qyt"
_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 6qyt "Master copy" rr_6qyt
stop_
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_6qyt
_Assembly.ID 1
_Assembly.Name 6qyt
_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 575.6991
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 "DAL LEU SER LEU CYS ALA" 1 $DAL_LEU_SER_LEU_CYS_ALA A . no . . . . . . rr_6qyt 1
stop_
save_
save_DAL_LEU_SER_LEU_CYS_ALA
_Entity.Sf_category entity
_Entity.Sf_framecode DAL_LEU_SER_LEU_CYS_ALA
_Entity.Entry_ID rr_6qyt
_Entity.ID 1
_Entity.Name DAL_LEU_SER_LEU_CYS_ALA
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code XLSLCA
_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 6
_Entity.Paramagnetic no
_Entity.Thiol_state "all free"
_Entity.Parent_entity_ID 1
_Entity.Formula_weight 575.6991
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 . DAL . rr_6qyt 1
2 . LEU . rr_6qyt 1
3 . SER . rr_6qyt 1
4 . LEU . rr_6qyt 1
5 . CYS . rr_6qyt 1
6 . ALA . rr_6qyt 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
. DAL 1 1 rr_6qyt 1
. LEU 2 2 rr_6qyt 1
. SER 3 3 rr_6qyt 1
. LEU 4 4 rr_6qyt 1
. CYS 5 5 rr_6qyt 1
. ALA 6 6 rr_6qyt 1
stop_
save_
save_chem_comp_DAL
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_DAL
_Chem_comp.Entry_ID rr_6qyt
_Chem_comp.ID DAL
_Chem_comp.Name D-alanine
_Chem_comp.Type "L-peptide NH3 amino terminus"
_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 H7 N O"
_Chem_comp.Formula_weight 73.0944
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_6qyt 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_6qyt
_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_6qyt
_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_6qyt 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_6qyt 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 DAL C C 4.445 5.058 3.429 . . . 1.0 . . . . . . . . . . . . A . 1 DAL C . . . . . . . . . rr_6qyt 1
. 1 . 2 . 1 1 1 DAL CA C 4.440 5.700 2.046 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CA . . . . . . . . . rr_6qyt 1
. 1 . 3 . 1 1 1 DAL CB C 3.583 6.967 2.066 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CB . . . . . . . . . rr_6qyt 1
. 1 . 4 . 1 1 1 DAL H2 H 6.502 5.614 2.327 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H2 . . . . . . . . . rr_6qyt 1
. 1 . 5 . 1 1 1 DAL H3 H 5.954 7.078 1.664 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H3 . . . . . . . . . rr_6qyt 1
. 1 . 6 . 1 1 1 DAL HA H 4.030 5.002 1.330 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HA . . . . . . . . . rr_6qyt 1
. 1 . 7 . 1 1 1 DAL HB1 H 2.843 6.884 2.846 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB1 . . . . . . . . . rr_6qyt 1
. 1 . 8 . 1 1 1 DAL HB2 H 3.089 7.083 1.113 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB2 . . . . . . . . . rr_6qyt 1
. 1 . 9 . 1 1 1 DAL N N 5.835 6.046 1.655 . . . 1.0 . . . . . . . . . . . . A . 1 DAL N . . . . . . . . . rr_6qyt 1
. 1 . 10 . 1 1 1 DAL O O 5.421 5.170 4.171 . . . 1.0 . . . . . . . . . . . . A . 1 DAL O . . . . . . . . . rr_6qyt 1
. 1 . 11 . 1 1 2 LEU C C 4.621 3.273 5.531 . . . 1.0 . . . . . . . . . . . . A . 2 LEU C . . . . . . . . . rr_6qyt 1
. 1 . 12 . 1 1 2 LEU CA C 3.244 3.731 5.066 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CA . . . . . . . . . rr_6qyt 1
. 1 . 13 . 1 1 2 LEU CB C 2.308 2.524 4.970 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CB . . . . . . . . . rr_6qyt 1
. 1 . 14 . 1 1 2 LEU CD1 C 0.368 4.090 4.746 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD1 . . . . . . . . . rr_6qyt 1
. 1 . 15 . 1 1 2 LEU CD2 C -0.017 1.701 5.378 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD2 . . . . . . . . . rr_6qyt 1
. 1 . 16 . 1 1 2 LEU CG C 0.931 2.896 5.523 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CG . . . . . . . . . rr_6qyt 1
. 1 . 17 . 1 1 2 LEU H H 2.603 4.328 3.137 . . . 1.0 . . . . . . . . . . . . A . 2 LEU H . . . . . . . . . rr_6qyt 1
. 1 . 18 . 1 1 2 LEU HA H 2.843 4.430 5.784 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HA . . . . . . . . . rr_6qyt 1
. 1 . 19 . 1 1 2 LEU HB2 H 2.212 2.226 3.936 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB2 . . . . . . . . . rr_6qyt 1
. 1 . 20 . 1 1 2 LEU HB3 H 2.715 1.706 5.544 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB3 . . . . . . . . . rr_6qyt 1
. 1 . 21 . 1 1 2 LEU HD11 H 0.074 4.864 5.438 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD11 . . . . . . . . . rr_6qyt 1
. 1 . 22 . 1 1 2 LEU HD12 H -0.490 3.774 4.172 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD12 . . . . . . . . . rr_6qyt 1
. 1 . 23 . 1 1 2 LEU HD13 H 1.125 4.473 4.077 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD13 . . . . . . . . . rr_6qyt 1
. 1 . 24 . 1 1 2 LEU HD21 H -0.914 2.011 4.862 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD21 . . . . . . . . . rr_6qyt 1
. 1 . 25 . 1 1 2 LEU HD22 H -0.278 1.328 6.358 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD22 . . . . . . . . . rr_6qyt 1
. 1 . 26 . 1 1 2 LEU HD23 H 0.471 0.919 4.815 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD23 . . . . . . . . . rr_6qyt 1
. 1 . 27 . 1 1 2 LEU HG H 1.023 3.160 6.567 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HG . . . . . . . . . rr_6qyt 1
. 1 . 28 . 1 1 2 LEU N N 3.350 4.386 3.769 . . . 1.0 . . . . . . . . . . . . A . 2 LEU N . . . . . . . . . rr_6qyt 1
. 1 . 29 . 1 1 2 LEU O O 4.907 3.239 6.728 . . . 1.0 . . . . . . . . . . . . A . 2 LEU O . . . . . . . . . rr_6qyt 1
. 1 . 30 . 1 1 3 SER C C 7.812 3.615 4.826 . . . 1.0 . . . . . . . . . . . . A . 3 SER C . . . . . . . . . rr_6qyt 1
. 1 . 31 . 1 1 3 SER CA C 6.814 2.461 4.879 . . . 1.0 . . . . . . . . . . . . A . 3 SER CA . . . . . . . . . rr_6qyt 1
. 1 . 32 . 1 1 3 SER CB C 7.234 1.378 3.885 . . . 1.0 . . . . . . . . . . . . A . 3 SER CB . . . . . . . . . rr_6qyt 1
. 1 . 33 . 1 1 3 SER H H 5.174 2.966 3.636 . . . 1.0 . . . . . . . . . . . . A . 3 SER H . . . . . . . . . rr_6qyt 1
. 1 . 34 . 1 1 3 SER HA H 6.821 2.039 5.873 . . . 1.0 . . . . . . . . . . . . A . 3 SER HA . . . . . . . . . rr_6qyt 1
. 1 . 35 . 1 1 3 SER HB2 H 8.305 1.264 3.905 . . . 1.0 . . . . . . . . . . . . A . 3 SER HB2 . . . . . . . . . rr_6qyt 1
. 1 . 36 . 1 1 3 SER HB3 H 6.770 0.440 4.158 . . . 1.0 . . . . . . . . . . . . A . 3 SER HB3 . . . . . . . . . rr_6qyt 1
. 1 . 37 . 1 1 3 SER HG H 7.589 1.680 1.996 . . . 1.0 . . . . . . . . . . . . A . 3 SER HG . . . . . . . . . rr_6qyt 1
. 1 . 38 . 1 1 3 SER N N 5.466 2.919 4.571 . . . 1.0 . . . . . . . . . . . . A . 3 SER N . . . . . . . . . rr_6qyt 1
. 1 . 39 . 1 1 3 SER O O 8.612 3.795 5.745 . . . 1.0 . . . . . . . . . . . . A . 3 SER O . . . . . . . . . rr_6qyt 1
. 1 . 40 . 1 1 3 SER OG O 6.829 1.759 2.577 . . . 1.0 . . . . . . . . . . . . A . 3 SER OG . . . . . . . . . rr_6qyt 1
. 1 . 41 . 1 1 4 LEU C C 8.120 6.789 4.215 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . rr_6qyt 1
. 1 . 42 . 1 1 4 LEU CA C 8.690 5.515 3.591 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . rr_6qyt 1
. 1 . 43 . 1 1 4 LEU CB C 8.985 5.754 2.108 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . rr_6qyt 1
. 1 . 44 . 1 1 4 LEU CD1 C 11.262 4.735 2.005 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . rr_6qyt 1
. 1 . 45 . 1 1 4 LEU CD2 C 10.705 6.695 0.561 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . rr_6qyt 1
. 1 . 46 . 1 1 4 LEU CG C 10.475 6.044 1.927 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . rr_6qyt 1
. 1 . 47 . 1 1 4 LEU H H 7.119 4.200 3.036 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . rr_6qyt 1
. 1 . 48 . 1 1 4 LEU HA H 9.616 5.272 4.090 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . rr_6qyt 1
. 1 . 49 . 1 1 4 LEU HB2 H 8.719 4.874 1.540 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . rr_6qyt 1
. 1 . 50 . 1 1 4 LEU HB3 H 8.412 6.597 1.756 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . rr_6qyt 1
. 1 . 51 . 1 1 4 LEU HD11 H 12.230 4.867 1.543 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . rr_6qyt 1
. 1 . 52 . 1 1 4 LEU HD12 H 10.720 3.958 1.487 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . rr_6qyt 1
. 1 . 53 . 1 1 4 LEU HD13 H 11.393 4.454 3.039 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . rr_6qyt 1
. 1 . 54 . 1 1 4 LEU HD21 H 10.677 5.938 -0.209 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . rr_6qyt 1
. 1 . 55 . 1 1 4 LEU HD22 H 11.669 7.183 0.551 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . rr_6qyt 1
. 1 . 56 . 1 1 4 LEU HD23 H 9.931 7.425 0.376 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . rr_6qyt 1
. 1 . 57 . 1 1 4 LEU HG H 10.810 6.712 2.708 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . rr_6qyt 1
. 1 . 58 . 1 1 4 LEU N N 7.770 4.391 3.744 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . rr_6qyt 1
. 1 . 59 . 1 1 4 LEU O O 8.852 7.568 4.824 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . rr_6qyt 1
. 1 . 60 . 1 1 5 CYS C C 6.261 8.182 6.141 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . rr_6qyt 1
. 1 . 61 . 1 1 5 CYS CA C 6.179 8.191 4.618 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . rr_6qyt 1
. 1 . 62 . 1 1 5 CYS CB C 4.715 8.251 4.181 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . rr_6qyt 1
. 1 . 63 . 1 1 5 CYS H H 6.272 6.354 3.568 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . rr_6qyt 1
. 1 . 64 . 1 1 5 CYS HA H 6.690 9.067 4.246 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . rr_6qyt 1
. 1 . 65 . 1 1 5 CYS HB2 H 4.211 7.347 4.489 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . rr_6qyt 1
. 1 . 66 . 1 1 5 CYS HB3 H 4.237 9.104 4.641 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . rr_6qyt 1
. 1 . 67 . 1 1 5 CYS N N 6.815 7.002 4.062 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . rr_6qyt 1
. 1 . 68 . 1 1 5 CYS O O 5.613 8.986 6.811 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . rr_6qyt 1
. 1 . 69 . 1 1 5 CYS SG S 4.632 8.410 2.379 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . rr_6qyt 1
. 1 . 70 . 1 1 6 ALA C C 7.813 8.456 8.691 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_6qyt 1
. 1 . 71 . 1 1 6 ALA CA C 7.219 7.169 8.127 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_6qyt 1
. 1 . 72 . 1 1 6 ALA CB C 8.131 5.990 8.472 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_6qyt 1
. 1 . 73 . 1 1 6 ALA H H 7.556 6.656 6.098 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_6qyt 1
. 1 . 74 . 1 1 6 ALA HA H 6.251 7.003 8.575 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_6qyt 1
. 1 . 75 . 1 1 6 ALA HB1 H 8.599 6.165 9.430 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_6qyt 1
. 1 . 76 . 1 1 6 ALA HB2 H 8.893 5.889 7.713 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_6qyt 1
. 1 . 77 . 1 1 6 ALA HB3 H 7.546 5.084 8.518 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_6qyt 1
. 1 . 78 . 1 1 6 ALA N N 7.062 7.269 6.681 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_6qyt 1
. 1 . 79 . 1 1 6 ALA O O 7.886 9.424 7.951 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_6qyt 1
. 1 . 80 . 1 1 6 ALA OXT O 8.188 8.454 9.852 . . . 1.0 . . . . . . . . . . . . A . 6 ALA OXT . . . . . . . . . rr_6qyt 1
. 2 . 81 . 1 1 1 DAL C C 4.470 4.990 3.295 . . . 1.0 . . . . . . . . . . . . A . 1 DAL C . . . . . . . . . rr_6qyt 1
. 2 . 82 . 1 1 1 DAL CA C 4.437 5.589 1.896 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CA . . . . . . . . . rr_6qyt 1
. 2 . 83 . 1 1 1 DAL CB C 4.444 7.115 1.980 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CB . . . . . . . . . rr_6qyt 1
. 2 . 84 . 1 1 1 DAL H2 H 6.279 4.626 1.775 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H2 . . . . . . . . . rr_6qyt 1
. 2 . 85 . 1 1 1 DAL H3 H 6.122 5.954 0.729 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H3 . . . . . . . . . rr_6qyt 1
. 2 . 86 . 1 1 1 DAL HA H 3.543 5.260 1.388 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HA . . . . . . . . . rr_6qyt 1
. 2 . 87 . 1 1 1 DAL HB1 H 3.785 7.513 1.223 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB1 . . . . . . . . . rr_6qyt 1
. 2 . 88 . 1 1 1 DAL HB2 H 5.445 7.478 1.812 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB2 . . . . . . . . . rr_6qyt 1
. 2 . 89 . 1 1 1 DAL N N 5.634 5.132 1.135 . . . 1.0 . . . . . . . . . . . . A . 1 DAL N . . . . . . . . . rr_6qyt 1
. 2 . 90 . 1 1 1 DAL O O 5.482 5.074 3.990 . . . 1.0 . . . . . . . . . . . . A . 1 DAL O . . . . . . . . . rr_6qyt 1
. 2 . 91 . 1 1 2 LEU C C 4.638 3.398 5.533 . . . 1.0 . . . . . . . . . . . . A . 2 LEU C . . . . . . . . . rr_6qyt 1
. 2 . 92 . 1 1 2 LEU CA C 3.254 3.782 5.021 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CA . . . . . . . . . rr_6qyt 1
. 2 . 93 . 1 1 2 LEU CB C 2.365 2.536 4.954 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CB . . . . . . . . . rr_6qyt 1
. 2 . 94 . 1 1 2 LEU CD1 C 1.761 2.845 7.358 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD1 . . . . . . . . . rr_6qyt 1
. 2 . 95 . 1 1 2 LEU CD2 C 0.365 3.903 5.573 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD2 . . . . . . . . . rr_6qyt 1
. 2 . 96 . 1 1 2 LEU CG C 1.206 2.677 5.942 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CG . . . . . . . . . rr_6qyt 1
. 2 . 97 . 1 1 2 LEU H H 2.580 4.367 3.097 . . . 1.0 . . . . . . . . . . . . A . 2 LEU H . . . . . . . . . rr_6qyt 1
. 2 . 98 . 1 1 2 LEU HA H 2.812 4.493 5.703 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HA . . . . . . . . . rr_6qyt 1
. 2 . 99 . 1 1 2 LEU HB2 H 1.975 2.428 3.952 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB2 . . . . . . . . . rr_6qyt 1
. 2 . 100 . 1 1 2 LEU HB3 H 2.948 1.663 5.208 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB3 . . . . . . . . . rr_6qyt 1
. 2 . 101 . 1 1 2 LEU HD11 H 1.159 2.276 8.050 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD11 . . . . . . . . . rr_6qyt 1
. 2 . 102 . 1 1 2 LEU HD12 H 1.736 3.889 7.633 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD12 . . . . . . . . . rr_6qyt 1
. 2 . 103 . 1 1 2 LEU HD13 H 2.780 2.489 7.389 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD13 . . . . . . . . . rr_6qyt 1
. 2 . 104 . 1 1 2 LEU HD21 H 0.775 4.371 4.689 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD21 . . . . . . . . . rr_6qyt 1
. 2 . 105 . 1 1 2 LEU HD22 H 0.375 4.609 6.390 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD22 . . . . . . . . . rr_6qyt 1
. 2 . 106 . 1 1 2 LEU HD23 H -0.652 3.596 5.376 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD23 . . . . . . . . . rr_6qyt 1
. 2 . 107 . 1 1 2 LEU HG H 0.590 1.790 5.901 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HG . . . . . . . . . rr_6qyt 1
. 2 . 108 . 1 1 2 LEU N N 3.353 4.393 3.699 . . . 1.0 . . . . . . . . . . . . A . 2 LEU N . . . . . . . . . rr_6qyt 1
. 2 . 109 . 1 1 2 LEU O O 4.938 3.546 6.718 . . . 1.0 . . . . . . . . . . . . A . 2 LEU O . . . . . . . . . rr_6qyt 1
. 2 . 110 . 1 1 3 SER C C 7.805 3.681 4.831 . . . 1.0 . . . . . . . . . . . . A . 3 SER C . . . . . . . . . rr_6qyt 1
. 2 . 111 . 1 1 3 SER CA C 6.834 2.511 4.987 . . . 1.0 . . . . . . . . . . . . A . 3 SER CA . . . . . . . . . rr_6qyt 1
. 2 . 112 . 1 1 3 SER CB C 7.286 1.348 4.105 . . . 1.0 . . . . . . . . . . . . A . 3 SER CB . . . . . . . . . rr_6qyt 1
. 2 . 113 . 1 1 3 SER H H 5.181 2.817 3.696 . . . 1.0 . . . . . . . . . . . . A . 3 SER H . . . . . . . . . rr_6qyt 1
. 2 . 114 . 1 1 3 SER HA H 6.839 2.188 6.017 . . . 1.0 . . . . . . . . . . . . A . 3 SER HA . . . . . . . . . rr_6qyt 1
. 2 . 115 . 1 1 3 SER HB2 H 6.968 0.417 4.542 . . . 1.0 . . . . . . . . . . . . A . 3 SER HB2 . . . . . . . . . rr_6qyt 1
. 2 . 116 . 1 1 3 SER HB3 H 6.846 1.451 3.121 . . . 1.0 . . . . . . . . . . . . A . 3 SER HB3 . . . . . . . . . rr_6qyt 1
. 2 . 117 . 1 1 3 SER HG H 8.996 0.460 3.835 . . . 1.0 . . . . . . . . . . . . A . 3 SER HG . . . . . . . . . rr_6qyt 1
. 2 . 118 . 1 1 3 SER N N 5.479 2.910 4.626 . . . 1.0 . . . . . . . . . . . . A . 3 SER N . . . . . . . . . rr_6qyt 1
. 2 . 119 . 1 1 3 SER O O 8.629 3.934 5.710 . . . 1.0 . . . . . . . . . . . . A . 3 SER O . . . . . . . . . rr_6qyt 1
. 2 . 120 . 1 1 3 SER OG O 8.704 1.359 4.006 . . . 1.0 . . . . . . . . . . . . A . 3 SER OG . . . . . . . . . rr_6qyt 1
. 2 . 121 . 1 1 4 LEU C C 8.112 6.765 4.207 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . rr_6qyt 1
. 2 . 122 . 1 1 4 LEU CA C 8.590 5.527 3.453 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . rr_6qyt 1
. 2 . 123 . 1 1 4 LEU CB C 8.641 5.821 1.952 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . rr_6qyt 1
. 2 . 124 . 1 1 4 LEU CD1 C 8.726 4.780 -0.319 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . rr_6qyt 1
. 2 . 125 . 1 1 4 LEU CD2 C 10.213 3.934 1.503 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . rr_6qyt 1
. 2 . 126 . 1 1 4 LEU CG C 8.832 4.513 1.184 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . rr_6qyt 1
. 2 . 127 . 1 1 4 LEU H H 7.037 4.146 3.037 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . rr_6qyt 1
. 2 . 128 . 1 1 4 LEU HA H 9.584 5.276 3.790 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . rr_6qyt 1
. 2 . 129 . 1 1 4 LEU HB2 H 7.717 6.290 1.645 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . rr_6qyt 1
. 2 . 130 . 1 1 4 LEU HB3 H 9.467 6.484 1.742 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . rr_6qyt 1
. 2 . 131 . 1 1 4 LEU HD11 H 7.835 4.307 -0.707 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . rr_6qyt 1
. 2 . 132 . 1 1 4 LEU HD12 H 9.594 4.377 -0.819 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . rr_6qyt 1
. 2 . 133 . 1 1 4 LEU HD13 H 8.672 5.845 -0.494 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . rr_6qyt 1
. 2 . 134 . 1 1 4 LEU HD21 H 10.159 3.352 2.411 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . rr_6qyt 1
. 2 . 135 . 1 1 4 LEU HD22 H 10.919 4.741 1.634 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . rr_6qyt 1
. 2 . 136 . 1 1 4 LEU HD23 H 10.536 3.303 0.689 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . rr_6qyt 1
. 2 . 137 . 1 1 4 LEU HG H 8.068 3.808 1.479 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . rr_6qyt 1
. 2 . 138 . 1 1 4 LEU N N 7.708 4.391 3.707 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . rr_6qyt 1
. 2 . 139 . 1 1 4 LEU O O 8.911 7.467 4.830 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . rr_6qyt 1
. 2 . 140 . 1 1 5 CYS C C 5.661 7.773 6.186 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . rr_6qyt 1
. 2 . 141 . 1 1 5 CYS CA C 6.252 8.188 4.842 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . rr_6qyt 1
. 2 . 142 . 1 1 5 CYS CB C 5.167 8.847 3.984 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . rr_6qyt 1
. 2 . 143 . 1 1 5 CYS H H 6.217 6.438 3.646 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . rr_6qyt 1
. 2 . 144 . 1 1 5 CYS HA H 7.041 8.905 5.015 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . rr_6qyt 1
. 2 . 145 . 1 1 5 CYS HB2 H 4.742 9.679 4.526 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . rr_6qyt 1
. 2 . 146 . 1 1 5 CYS HB3 H 5.602 9.206 3.065 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . rr_6qyt 1
. 2 . 147 . 1 1 5 CYS N N 6.810 7.030 4.153 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . rr_6qyt 1
. 2 . 148 . 1 1 5 CYS O O 4.555 8.178 6.542 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . rr_6qyt 1
. 2 . 149 . 1 1 5 CYS SG S 3.864 7.642 3.618 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . rr_6qyt 1
. 2 . 150 . 1 1 6 ALA C C 5.463 7.662 9.080 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_6qyt 1
. 2 . 151 . 1 1 6 ALA CA C 5.958 6.495 8.232 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_6qyt 1
. 2 . 152 . 1 1 6 ALA CB C 7.104 5.785 8.956 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_6qyt 1
. 2 . 153 . 1 1 6 ALA H H 7.284 6.674 6.590 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_6qyt 1
. 2 . 154 . 1 1 6 ALA HA H 5.148 5.794 8.092 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_6qyt 1
. 2 . 155 . 1 1 6 ALA HB1 H 6.999 4.716 8.838 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_6qyt 1
. 2 . 156 . 1 1 6 ALA HB2 H 7.076 6.035 10.007 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_6qyt 1
. 2 . 157 . 1 1 6 ALA HB3 H 8.047 6.102 8.536 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_6qyt 1
. 2 . 158 . 1 1 6 ALA N N 6.411 6.963 6.928 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_6qyt 1
. 2 . 159 . 1 1 6 ALA O O 4.376 7.554 9.624 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_6qyt 1
. 2 . 160 . 1 1 6 ALA OXT O 6.179 8.645 9.174 . . . 1.0 . . . . . . . . . . . . A . 6 ALA OXT . . . . . . . . . rr_6qyt 1
. 3 . 161 . 1 1 1 DAL C C 4.421 5.150 3.434 . . . 1.0 . . . . . . . . . . . . A . 1 DAL C . . . . . . . . . rr_6qyt 1
. 3 . 162 . 1 1 1 DAL CA C 4.372 5.916 2.117 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CA . . . . . . . . . rr_6qyt 1
. 3 . 163 . 1 1 1 DAL CB C 3.406 7.094 2.243 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CB . . . . . . . . . rr_6qyt 1
. 3 . 164 . 1 1 1 DAL H2 H 5.811 6.565 0.760 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H2 . . . . . . . . . rr_6qyt 1
. 3 . 165 . 1 1 1 DAL H3 H 6.444 5.733 2.099 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H3 . . . . . . . . . rr_6qyt 1
. 3 . 166 . 1 1 1 DAL HA H 4.036 5.257 1.331 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HA . . . . . . . . . rr_6qyt 1
. 3 . 167 . 1 1 1 DAL HB1 H 2.714 6.902 3.049 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB1 . . . . . . . . . rr_6qyt 1
. 3 . 168 . 1 1 1 DAL HB2 H 2.859 7.211 1.319 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB2 . . . . . . . . . rr_6qyt 1
. 3 . 169 . 1 1 1 DAL N N 5.733 6.424 1.789 . . . 1.0 . . . . . . . . . . . . A . 1 DAL N . . . . . . . . . rr_6qyt 1
. 3 . 170 . 1 1 1 DAL O O 5.381 5.262 4.195 . . . 1.0 . . . . . . . . . . . . A . 1 DAL O . . . . . . . . . rr_6qyt 1
. 3 . 171 . 1 1 2 LEU C C 4.675 3.304 5.485 . . . 1.0 . . . . . . . . . . . . A . 2 LEU C . . . . . . . . . rr_6qyt 1
. 3 . 172 . 1 1 2 LEU CA C 3.288 3.593 4.919 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CA . . . . . . . . . rr_6qyt 1
. 3 . 173 . 1 1 2 LEU CB C 2.575 2.272 4.637 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CB . . . . . . . . . rr_6qyt 1
. 3 . 174 . 1 1 2 LEU CD1 C 0.978 0.586 5.530 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD1 . . . . . . . . . rr_6qyt 1
. 3 . 175 . 1 1 2 LEU CD2 C 2.377 1.926 7.103 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD2 . . . . . . . . . rr_6qyt 1
. 3 . 176 . 1 1 2 LEU CG C 1.611 1.953 5.778 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CG . . . . . . . . . rr_6qyt 1
. 3 . 177 . 1 1 2 LEU H H 2.638 4.331 3.045 . . . 1.0 . . . . . . . . . . . . A . 2 LEU H . . . . . . . . . rr_6qyt 1
. 3 . 178 . 1 1 2 LEU HA H 2.719 4.146 5.649 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HA . . . . . . . . . rr_6qyt 1
. 3 . 179 . 1 1 2 LEU HB2 H 2.025 2.351 3.711 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB2 . . . . . . . . . rr_6qyt 1
. 3 . 180 . 1 1 2 LEU HB3 H 3.304 1.481 4.555 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB3 . . . . . . . . . rr_6qyt 1
. 3 . 181 . 1 1 2 LEU HD11 H -0.069 0.622 5.783 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD11 . . . . . . . . . rr_6qyt 1
. 3 . 182 . 1 1 2 LEU HD12 H 1.473 -0.156 6.141 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD12 . . . . . . . . . rr_6qyt 1
. 3 . 183 . 1 1 2 LEU HD13 H 1.089 0.323 4.488 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD13 . . . . . . . . . rr_6qyt 1
. 3 . 184 . 1 1 2 LEU HD21 H 1.831 1.333 7.823 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD21 . . . . . . . . . rr_6qyt 1
. 3 . 185 . 1 1 2 LEU HD22 H 2.484 2.934 7.477 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD22 . . . . . . . . . rr_6qyt 1
. 3 . 186 . 1 1 2 LEU HD23 H 3.353 1.494 6.947 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD23 . . . . . . . . . rr_6qyt 1
. 3 . 187 . 1 1 2 LEU HG H 0.838 2.706 5.818 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HG . . . . . . . . . rr_6qyt 1
. 3 . 188 . 1 1 2 LEU N N 3.373 4.376 3.692 . . . 1.0 . . . . . . . . . . . . A . 2 LEU N . . . . . . . . . rr_6qyt 1
. 3 . 189 . 1 1 2 LEU O O 4.946 3.569 6.657 . . . 1.0 . . . . . . . . . . . . A . 2 LEU O . . . . . . . . . rr_6qyt 1
. 3 . 190 . 1 1 3 SER C C 7.874 3.548 4.881 . . . 1.0 . . . . . . . . . . . . A . 3 SER C . . . . . . . . . rr_6qyt 1
. 3 . 191 . 1 1 3 SER CA C 6.891 2.393 5.084 . . . 1.0 . . . . . . . . . . . . A . 3 SER CA . . . . . . . . . rr_6qyt 1
. 3 . 192 . 1 1 3 SER CB C 7.381 1.170 4.311 . . . 1.0 . . . . . . . . . . . . A . 3 SER CB . . . . . . . . . rr_6qyt 1
. 3 . 193 . 1 1 3 SER H H 5.260 2.536 3.735 . . . 1.0 . . . . . . . . . . . . A . 3 SER H . . . . . . . . . rr_6qyt 1
. 3 . 194 . 1 1 3 SER HA H 6.864 2.145 6.134 . . . 1.0 . . . . . . . . . . . . A . 3 SER HA . . . . . . . . . rr_6qyt 1
. 3 . 195 . 1 1 3 SER HB2 H 6.603 0.427 4.276 . . . 1.0 . . . . . . . . . . . . A . 3 SER HB2 . . . . . . . . . rr_6qyt 1
. 3 . 196 . 1 1 3 SER HB3 H 7.642 1.464 3.301 . . . 1.0 . . . . . . . . . . . . A . 3 SER HB3 . . . . . . . . . rr_6qyt 1
. 3 . 197 . 1 1 3 SER HG H 9.181 0.432 4.301 . . . 1.0 . . . . . . . . . . . . A . 3 SER HG . . . . . . . . . rr_6qyt 1
. 3 . 198 . 1 1 3 SER N N 5.541 2.740 4.651 . . . 1.0 . . . . . . . . . . . . A . 3 SER N . . . . . . . . . rr_6qyt 1
. 3 . 199 . 1 1 3 SER O O 8.802 3.719 5.671 . . . 1.0 . . . . . . . . . . . . A . 3 SER O . . . . . . . . . rr_6qyt 1
. 3 . 200 . 1 1 3 SER OG O 8.519 0.626 4.967 . . . 1.0 . . . . . . . . . . . . A . 3 SER OG . . . . . . . . . rr_6qyt 1
. 3 . 201 . 1 1 4 LEU C C 8.084 6.741 4.167 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . rr_6qyt 1
. 3 . 202 . 1 1 4 LEU CA C 8.594 5.442 3.547 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . rr_6qyt 1
. 3 . 203 . 1 1 4 LEU CB C 8.771 5.625 2.035 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . rr_6qyt 1
. 3 . 204 . 1 1 4 LEU CD1 C 7.418 4.085 0.601 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . rr_6qyt 1
. 3 . 205 . 1 1 4 LEU CD2 C 9.900 4.176 0.344 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . rr_6qyt 1
. 3 . 206 . 1 1 4 LEU CG C 8.744 4.259 1.344 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . rr_6qyt 1
. 3 . 207 . 1 1 4 LEU H H 6.939 4.150 3.209 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . rr_6qyt 1
. 3 . 208 . 1 1 4 LEU HA H 9.556 5.212 3.977 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . rr_6qyt 1
. 3 . 209 . 1 1 4 LEU HB2 H 7.973 6.242 1.650 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . rr_6qyt 1
. 3 . 210 . 1 1 4 LEU HB3 H 9.719 6.104 1.842 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . rr_6qyt 1
. 3 . 211 . 1 1 4 LEU HD11 H 7.423 3.144 0.072 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . rr_6qyt 1
. 3 . 212 . 1 1 4 LEU HD12 H 7.291 4.893 -0.105 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . rr_6qyt 1
. 3 . 213 . 1 1 4 LEU HD13 H 6.603 4.095 1.311 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . rr_6qyt 1
. 3 . 214 . 1 1 4 LEU HD21 H 10.839 4.256 0.871 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . rr_6qyt 1
. 3 . 215 . 1 1 4 LEU HD22 H 9.817 4.983 -0.370 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . rr_6qyt 1
. 3 . 216 . 1 1 4 LEU HD23 H 9.859 3.230 -0.176 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . rr_6qyt 1
. 3 . 217 . 1 1 4 LEU HG H 8.848 3.479 2.082 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . rr_6qyt 1
. 3 . 218 . 1 1 4 LEU N N 7.686 4.329 3.819 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . rr_6qyt 1
. 3 . 219 . 1 1 4 LEU O O 8.846 7.471 4.802 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . rr_6qyt 1
. 3 . 220 . 1 1 5 CYS C C 6.545 8.375 6.020 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . rr_6qyt 1
. 3 . 221 . 1 1 5 CYS CA C 6.222 8.253 4.533 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . rr_6qyt 1
. 3 . 222 . 1 1 5 CYS CB C 4.705 8.255 4.331 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . rr_6qyt 1
. 3 . 223 . 1 1 5 CYS H H 6.235 6.419 3.467 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . rr_6qyt 1
. 3 . 224 . 1 1 5 CYS HA H 6.642 9.103 4.015 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . rr_6qyt 1
. 3 . 225 . 1 1 5 CYS HB2 H 4.304 7.288 4.598 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . rr_6qyt 1
. 3 . 226 . 1 1 5 CYS HB3 H 4.260 9.015 4.956 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . rr_6qyt 1
. 3 . 227 . 1 1 5 CYS N N 6.800 7.032 3.982 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . rr_6qyt 1
. 3 . 228 . 1 1 5 CYS O O 6.678 9.480 6.546 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . rr_6qyt 1
. 3 . 229 . 1 1 5 CYS SG S 4.334 8.606 2.594 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . rr_6qyt 1
. 3 . 230 . 1 1 6 ALA C C 8.267 8.008 8.389 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_6qyt 1
. 3 . 231 . 1 1 6 ALA CA C 6.988 7.224 8.114 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_6qyt 1
. 3 . 232 . 1 1 6 ALA CB C 7.160 5.783 8.600 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_6qyt 1
. 3 . 233 . 1 1 6 ALA H H 6.562 6.383 6.215 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_6qyt 1
. 3 . 234 . 1 1 6 ALA HA H 6.172 7.680 8.656 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_6qyt 1
. 3 . 235 . 1 1 6 ALA HB1 H 6.188 5.346 8.780 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_6qyt 1
. 3 . 236 . 1 1 6 ALA HB2 H 7.732 5.778 9.516 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_6qyt 1
. 3 . 237 . 1 1 6 ALA HB3 H 7.680 5.209 7.847 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_6qyt 1
. 3 . 238 . 1 1 6 ALA N N 6.675 7.234 6.688 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_6qyt 1
. 3 . 239 . 1 1 6 ALA O O 9.298 7.379 8.563 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_6qyt 1
. 3 . 240 . 1 1 6 ALA OXT O 8.197 9.226 8.421 . . . 1.0 . . . . . . . . . . . . A . 6 ALA OXT . . . . . . . . . rr_6qyt 1
. 4 . 241 . 1 1 1 DAL C C 4.439 5.122 3.421 . . . 1.0 . . . . . . . . . . . . A . 1 DAL C . . . . . . . . . rr_6qyt 1
. 4 . 242 . 1 1 1 DAL CA C 4.407 5.804 2.058 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CA . . . . . . . . . rr_6qyt 1
. 4 . 243 . 1 1 1 DAL CB C 3.500 7.035 2.118 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CB . . . . . . . . . rr_6qyt 1
. 4 . 244 . 1 1 1 DAL H2 H 6.477 5.639 2.199 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H2 . . . . . . . . . rr_6qyt 1
. 4 . 245 . 1 1 1 DAL H3 H 5.927 7.220 1.910 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H3 . . . . . . . . . rr_6qyt 1
. 4 . 246 . 1 1 1 DAL HA H 4.025 5.112 1.320 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HA . . . . . . . . . rr_6qyt 1
. 4 . 247 . 1 1 1 DAL HB1 H 2.773 6.902 2.903 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB1 . . . . . . . . . rr_6qyt 1
. 4 . 248 . 1 1 1 DAL HB2 H 2.992 7.154 1.172 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB2 . . . . . . . . . rr_6qyt 1
. 4 . 249 . 1 1 1 DAL N N 5.788 6.217 1.677 . . . 1.0 . . . . . . . . . . . . A . 1 DAL N . . . . . . . . . rr_6qyt 1
. 4 . 250 . 1 1 1 DAL O O 5.404 5.258 4.172 . . . 1.0 . . . . . . . . . . . . A . 1 DAL O . . . . . . . . . rr_6qyt 1
. 4 . 251 . 1 1 2 LEU C C 4.677 3.313 5.512 . . . 1.0 . . . . . . . . . . . . A . 2 LEU C . . . . . . . . . rr_6qyt 1
. 4 . 252 . 1 1 2 LEU CA C 3.287 3.693 5.010 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CA . . . . . . . . . rr_6qyt 1
. 4 . 253 . 1 1 2 LEU CB C 2.434 2.430 4.853 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CB . . . . . . . . . rr_6qyt 1
. 4 . 254 . 1 1 2 LEU CD1 C 1.587 2.678 7.189 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD1 . . . . . . . . . rr_6qyt 1
. 4 . 255 . 1 1 2 LEU CD2 C 0.380 3.783 5.299 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD2 . . . . . . . . . rr_6qyt 1
. 4 . 256 . 1 1 2 LEU CG C 1.179 2.547 5.721 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CG . . . . . . . . . rr_6qyt 1
. 4 . 257 . 1 1 2 LEU H H 2.636 4.320 3.095 . . . 1.0 . . . . . . . . . . . . A . 2 LEU H . . . . . . . . . rr_6qyt 1
. 4 . 258 . 1 1 2 LEU HA H 2.820 4.344 5.733 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HA . . . . . . . . . rr_6qyt 1
. 4 . 259 . 1 1 2 LEU HB2 H 2.147 2.318 3.818 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB2 . . . . . . . . . rr_6qyt 1
. 4 . 260 . 1 1 2 LEU HB3 H 3.005 1.568 5.163 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB3 . . . . . . . . . rr_6qyt 1
. 4 . 261 . 1 1 2 LEU HD11 H 1.574 3.719 7.475 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD11 . . . . . . . . . rr_6qyt 1
. 4 . 262 . 1 1 2 LEU HD12 H 2.584 2.281 7.322 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD12 . . . . . . . . . rr_6qyt 1
. 4 . 263 . 1 1 2 LEU HD13 H 0.896 2.125 7.806 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD13 . . . . . . . . . rr_6qyt 1
. 4 . 264 . 1 1 2 LEU HD21 H -0.557 3.473 4.860 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD21 . . . . . . . . . rr_6qyt 1
. 4 . 265 . 1 1 2 LEU HD22 H 0.947 4.349 4.574 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD22 . . . . . . . . . rr_6qyt 1
. 4 . 266 . 1 1 2 LEU HD23 H 0.186 4.401 6.164 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD23 . . . . . . . . . rr_6qyt 1
. 4 . 267 . 1 1 2 LEU HG H 0.572 1.662 5.595 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HG . . . . . . . . . rr_6qyt 1
. 4 . 268 . 1 1 2 LEU N N 3.376 4.391 3.733 . . . 1.0 . . . . . . . . . . . . A . 2 LEU N . . . . . . . . . rr_6qyt 1
. 4 . 269 . 1 1 2 LEU O O 4.984 3.463 6.695 . . . 1.0 . . . . . . . . . . . . A . 2 LEU O . . . . . . . . . rr_6qyt 1
. 4 . 270 . 1 1 3 SER C C 7.850 3.557 4.850 . . . 1.0 . . . . . . . . . . . . A . 3 SER C . . . . . . . . . rr_6qyt 1
. 4 . 271 . 1 1 3 SER CA C 6.861 2.398 4.969 . . . 1.0 . . . . . . . . . . . . A . 3 SER CA . . . . . . . . . rr_6qyt 1
. 4 . 272 . 1 1 3 SER CB C 7.314 1.252 4.063 . . . 1.0 . . . . . . . . . . . . A . 3 SER CB . . . . . . . . . rr_6qyt 1
. 4 . 273 . 1 1 3 SER H H 5.205 2.705 3.682 . . . 1.0 . . . . . . . . . . . . A . 3 SER H . . . . . . . . . rr_6qyt 1
. 4 . 274 . 1 1 3 SER HA H 6.857 2.048 5.990 . . . 1.0 . . . . . . . . . . . . A . 3 SER HA . . . . . . . . . rr_6qyt 1
. 4 . 275 . 1 1 3 SER HB2 H 7.359 0.338 4.630 . . . 1.0 . . . . . . . . . . . . A . 3 SER HB2 . . . . . . . . . rr_6qyt 1
. 4 . 276 . 1 1 3 SER HB3 H 6.609 1.136 3.252 . . . 1.0 . . . . . . . . . . . . A . 3 SER HB3 . . . . . . . . . rr_6qyt 1
. 4 . 277 . 1 1 3 SER HG H 9.059 2.105 4.181 . . . 1.0 . . . . . . . . . . . . A . 3 SER HG . . . . . . . . . rr_6qyt 1
. 4 . 278 . 1 1 3 SER N N 5.509 2.810 4.607 . . . 1.0 . . . . . . . . . . . . A . 3 SER N . . . . . . . . . rr_6qyt 1
. 4 . 279 . 1 1 3 SER O O 8.726 3.721 5.699 . . . 1.0 . . . . . . . . . . . . A . 3 SER O . . . . . . . . . rr_6qyt 1
. 4 . 280 . 1 1 3 SER OG O 8.606 1.546 3.547 . . . 1.0 . . . . . . . . . . . . A . 3 SER OG . . . . . . . . . rr_6qyt 1
. 4 . 281 . 1 1 4 LEU C C 8.084 6.749 4.238 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . rr_6qyt 1
. 4 . 282 . 1 1 4 LEU CA C 8.625 5.480 3.584 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . rr_6qyt 1
. 4 . 283 . 1 1 4 LEU CB C 8.828 5.719 2.087 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . rr_6qyt 1
. 4 . 284 . 1 1 4 LEU CD1 C 7.459 4.212 0.639 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . rr_6qyt 1
. 4 . 285 . 1 1 4 LEU CD2 C 9.931 4.351 0.312 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . rr_6qyt 1
. 4 . 286 . 1 1 4 LEU CG C 8.804 4.381 1.347 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . rr_6qyt 1
. 4 . 287 . 1 1 4 LEU H H 7.008 4.177 3.139 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . rr_6qyt 1
. 4 . 288 . 1 1 4 LEU HA H 9.580 5.242 4.027 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . rr_6qyt 1
. 4 . 289 . 1 1 4 LEU HB2 H 8.037 6.353 1.713 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . rr_6qyt 1
. 4 . 290 . 1 1 4 LEU HB3 H 9.781 6.200 1.926 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . rr_6qyt 1
. 4 . 291 . 1 1 4 LEU HD11 H 7.284 5.057 -0.011 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . rr_6qyt 1
. 4 . 292 . 1 1 4 LEU HD12 H 6.670 4.155 1.374 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . rr_6qyt 1
. 4 . 293 . 1 1 4 LEU HD13 H 7.471 3.304 0.053 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . rr_6qyt 1
. 4 . 294 . 1 1 4 LEU HD21 H 10.875 4.535 0.803 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . rr_6qyt 1
. 4 . 295 . 1 1 4 LEU HD22 H 9.758 5.114 -0.432 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . rr_6qyt 1
. 4 . 296 . 1 1 4 LEU HD23 H 9.957 3.382 -0.166 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . rr_6qyt 1
. 4 . 297 . 1 1 4 LEU HG H 8.941 3.576 2.054 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . rr_6qyt 1
. 4 . 298 . 1 1 4 LEU N N 7.718 4.353 3.792 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . rr_6qyt 1
. 4 . 299 . 1 1 4 LEU O O 8.814 7.457 4.933 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . rr_6qyt 1
. 4 . 300 . 1 1 5 CYS C C 6.368 8.257 6.094 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . rr_6qyt 1
. 4 . 301 . 1 1 5 CYS CA C 6.186 8.222 4.579 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . rr_6qyt 1
. 4 . 302 . 1 1 5 CYS CB C 4.696 8.244 4.238 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . rr_6qyt 1
. 4 . 303 . 1 1 5 CYS H H 6.275 6.436 3.445 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . rr_6qyt 1
. 4 . 304 . 1 1 5 CYS HA H 6.652 9.098 4.152 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . rr_6qyt 1
. 4 . 305 . 1 1 5 CYS HB2 H 4.249 7.301 4.515 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . rr_6qyt 1
. 4 . 306 . 1 1 5 CYS HB3 H 4.213 9.044 4.779 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . rr_6qyt 1
. 4 . 307 . 1 1 5 CYS N N 6.808 7.033 4.009 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . rr_6qyt 1
. 4 . 308 . 1 1 5 CYS O O 5.887 9.172 6.765 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . rr_6qyt 1
. 4 . 309 . 1 1 5 CYS SG S 4.492 8.510 2.459 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . rr_6qyt 1
. 4 . 310 . 1 1 6 ALA C C 8.731 7.625 8.393 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_6qyt 1
. 4 . 311 . 1 1 6 ALA CA C 7.304 7.193 8.067 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_6qyt 1
. 4 . 312 . 1 1 6 ALA CB C 7.074 5.767 8.571 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_6qyt 1
. 4 . 313 . 1 1 6 ALA H H 7.427 6.558 6.049 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_6qyt 1
. 4 . 314 . 1 1 6 ALA HA H 6.615 7.856 8.568 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_6qyt 1
. 4 . 315 . 1 1 6 ALA HB1 H 8.024 5.263 8.669 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_6qyt 1
. 4 . 316 . 1 1 6 ALA HB2 H 6.454 5.232 7.869 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_6qyt 1
. 4 . 317 . 1 1 6 ALA HB3 H 6.583 5.800 9.532 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_6qyt 1
. 4 . 318 . 1 1 6 ALA N N 7.066 7.260 6.630 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_6qyt 1
. 4 . 319 . 1 1 6 ALA O O 9.166 8.625 7.844 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_6qyt 1
. 4 . 320 . 1 1 6 ALA OXT O 9.366 6.951 9.187 . . . 1.0 . . . . . . . . . . . . A . 6 ALA OXT . . . . . . . . . rr_6qyt 1
. 5 . 321 . 1 1 1 DAL C C 4.444 4.978 3.303 . . . 1.0 . . . . . . . . . . . . A . 1 DAL C . . . . . . . . . rr_6qyt 1
. 5 . 322 . 1 1 1 DAL CA C 4.396 5.555 1.896 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CA . . . . . . . . . rr_6qyt 1
. 5 . 323 . 1 1 1 DAL CB C 4.401 7.084 1.958 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CB . . . . . . . . . rr_6qyt 1
. 5 . 324 . 1 1 1 DAL H2 H 5.543 5.460 0.159 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H2 . . . . . . . . . rr_6qyt 1
. 5 . 325 . 1 1 1 DAL H3 H 5.594 4.047 1.101 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H3 . . . . . . . . . rr_6qyt 1
. 5 . 326 . 1 1 1 DAL HA H 3.496 5.220 1.403 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HA . . . . . . . . . rr_6qyt 1
. 5 . 327 . 1 1 1 DAL HB1 H 3.723 7.471 1.213 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB1 . . . . . . . . . rr_6qyt 1
. 5 . 328 . 1 1 1 DAL HB2 H 5.397 7.446 1.760 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB2 . . . . . . . . . rr_6qyt 1
. 5 . 329 . 1 1 1 DAL N N 5.587 5.087 1.130 . . . 1.0 . . . . . . . . . . . . A . 1 DAL N . . . . . . . . . rr_6qyt 1
. 5 . 330 . 1 1 1 DAL O O 5.458 5.084 3.992 . . . 1.0 . . . . . . . . . . . . A . 1 DAL O . . . . . . . . . rr_6qyt 1
. 5 . 331 . 1 1 2 LEU C C 4.642 3.360 5.529 . . . 1.0 . . . . . . . . . . . . A . 2 LEU C . . . . . . . . . rr_6qyt 1
. 5 . 332 . 1 1 2 LEU CA C 3.258 3.792 5.059 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CA . . . . . . . . . rr_6qyt 1
. 5 . 333 . 1 1 2 LEU CB C 2.321 2.582 5.051 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CB . . . . . . . . . rr_6qyt 1
. 5 . 334 . 1 1 2 LEU CD1 C 2.425 2.531 7.553 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD1 . . . . . . . . . rr_6qyt 1
. 5 . 335 . 1 1 2 LEU CD2 C 0.623 3.826 6.401 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD2 . . . . . . . . . rr_6qyt 1
. 5 . 336 . 1 1 2 LEU CG C 1.491 2.566 6.339 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CG . . . . . . . . . rr_6qyt 1
. 5 . 337 . 1 1 2 LEU H H 2.558 4.336 3.131 . . . 1.0 . . . . . . . . . . . . A . 2 LEU H . . . . . . . . . rr_6qyt 1
. 5 . 338 . 1 1 2 LEU HA H 2.871 4.532 5.743 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HA . . . . . . . . . rr_6qyt 1
. 5 . 339 . 1 1 2 LEU HB2 H 1.661 2.642 4.197 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB2 . . . . . . . . . rr_6qyt 1
. 5 . 340 . 1 1 2 LEU HB3 H 2.904 1.675 4.992 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB3 . . . . . . . . . rr_6qyt 1
. 5 . 341 . 1 1 2 LEU HD11 H 1.853 2.301 8.440 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD11 . . . . . . . . . rr_6qyt 1
. 5 . 342 . 1 1 2 LEU HD12 H 2.899 3.493 7.671 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD12 . . . . . . . . . rr_6qyt 1
. 5 . 343 . 1 1 2 LEU HD13 H 3.179 1.773 7.405 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD13 . . . . . . . . . rr_6qyt 1
. 5 . 344 . 1 1 2 LEU HD21 H 0.668 4.342 5.452 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD21 . . . . . . . . . rr_6qyt 1
. 5 . 345 . 1 1 2 LEU HD22 H 0.987 4.478 7.181 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD22 . . . . . . . . . rr_6qyt 1
. 5 . 346 . 1 1 2 LEU HD23 H -0.399 3.549 6.611 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD23 . . . . . . . . . rr_6qyt 1
. 5 . 347 . 1 1 2 LEU HG H 0.858 1.691 6.348 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HG . . . . . . . . . rr_6qyt 1
. 5 . 348 . 1 1 2 LEU N N 3.336 4.379 3.726 . . . 1.0 . . . . . . . . . . . . A . 2 LEU N . . . . . . . . . rr_6qyt 1
. 5 . 349 . 1 1 2 LEU O O 4.954 3.418 6.718 . . . 1.0 . . . . . . . . . . . . A . 2 LEU O . . . . . . . . . rr_6qyt 1
. 5 . 350 . 1 1 3 SER C C 7.815 3.635 4.810 . . . 1.0 . . . . . . . . . . . . A . 3 SER C . . . . . . . . . rr_6qyt 1
. 5 . 351 . 1 1 3 SER CA C 6.818 2.479 4.904 . . . 1.0 . . . . . . . . . . . . A . 3 SER CA . . . . . . . . . rr_6qyt 1
. 5 . 352 . 1 1 3 SER CB C 7.239 1.365 3.945 . . . 1.0 . . . . . . . . . . . . A . 3 SER CB . . . . . . . . . rr_6qyt 1
. 5 . 353 . 1 1 3 SER H H 5.160 2.897 3.653 . . . 1.0 . . . . . . . . . . . . A . 3 SER H . . . . . . . . . rr_6qyt 1
. 5 . 354 . 1 1 3 SER HA H 6.828 2.091 5.910 . . . 1.0 . . . . . . . . . . . . A . 3 SER HA . . . . . . . . . rr_6qyt 1
. 5 . 355 . 1 1 3 SER HB2 H 6.800 0.433 4.257 . . . 1.0 . . . . . . . . . . . . A . 3 SER HB2 . . . . . . . . . rr_6qyt 1
. 5 . 356 . 1 1 3 SER HB3 H 6.897 1.604 2.946 . . . 1.0 . . . . . . . . . . . . A . 3 SER HB3 . . . . . . . . . rr_6qyt 1
. 5 . 357 . 1 1 3 SER HG H 8.896 0.524 3.369 . . . 1.0 . . . . . . . . . . . . A . 3 SER HG . . . . . . . . . rr_6qyt 1
. 5 . 358 . 1 1 3 SER N N 5.467 2.923 4.583 . . . 1.0 . . . . . . . . . . . . A . 3 SER N . . . . . . . . . rr_6qyt 1
. 5 . 359 . 1 1 3 SER O O 8.653 3.812 5.694 . . . 1.0 . . . . . . . . . . . . A . 3 SER O . . . . . . . . . rr_6qyt 1
. 5 . 360 . 1 1 3 SER OG O 8.655 1.242 3.958 . . . 1.0 . . . . . . . . . . . . A . 3 SER OG . . . . . . . . . rr_6qyt 1
. 5 . 361 . 1 1 4 LEU C C 8.130 6.794 4.250 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . rr_6qyt 1
. 5 . 362 . 1 1 4 LEU CA C 8.640 5.538 3.540 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . rr_6qyt 1
. 5 . 363 . 1 1 4 LEU CB C 8.817 5.821 2.044 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . rr_6qyt 1
. 5 . 364 . 1 1 4 LEU CD1 C 10.529 6.358 0.302 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . rr_6qyt 1
. 5 . 365 . 1 1 4 LEU CD2 C 10.186 7.907 2.230 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . rr_6qyt 1
. 5 . 366 . 1 1 4 LEU CG C 10.195 6.441 1.793 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . rr_6qyt 1
. 5 . 367 . 1 1 4 LEU H H 7.047 4.225 3.054 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . rr_6qyt 1
. 5 . 368 . 1 1 4 LEU HA H 9.600 5.275 3.957 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . rr_6qyt 1
. 5 . 369 . 1 1 4 LEU HB2 H 8.735 4.896 1.491 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . rr_6qyt 1
. 5 . 370 . 1 1 4 LEU HB3 H 8.053 6.507 1.713 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . rr_6qyt 1
. 5 . 371 . 1 1 4 LEU HD11 H 9.615 6.323 -0.271 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . rr_6qyt 1
. 5 . 372 . 1 1 4 LEU HD12 H 11.106 5.464 0.112 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . rr_6qyt 1
. 5 . 373 . 1 1 4 LEU HD13 H 11.103 7.226 0.013 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . rr_6qyt 1
. 5 . 374 . 1 1 4 LEU HD21 H 10.952 8.447 1.694 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . rr_6qyt 1
. 5 . 375 . 1 1 4 LEU HD22 H 10.377 7.968 3.291 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . rr_6qyt 1
. 5 . 376 . 1 1 4 LEU HD23 H 9.221 8.341 2.013 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . rr_6qyt 1
. 5 . 377 . 1 1 4 LEU HG H 10.942 5.899 2.357 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . rr_6qyt 1
. 5 . 378 . 1 1 4 LEU N N 7.727 4.414 3.733 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . rr_6qyt 1
. 5 . 379 . 1 1 4 LEU O O 8.907 7.513 4.880 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . rr_6qyt 1
. 5 . 380 . 1 1 5 CYS C C 5.661 7.854 6.155 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . rr_6qyt 1
. 5 . 381 . 1 1 5 CYS CA C 6.254 8.233 4.801 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . rr_6qyt 1
. 5 . 382 . 1 1 5 CYS CB C 5.166 8.854 3.919 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . rr_6qyt 1
. 5 . 383 . 1 1 5 CYS H H 6.246 6.454 3.643 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . rr_6qyt 1
. 5 . 384 . 1 1 5 CYS HA H 7.036 8.961 4.955 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . rr_6qyt 1
. 5 . 385 . 1 1 5 CYS HB2 H 4.741 9.707 4.428 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . rr_6qyt 1
. 5 . 386 . 1 1 5 CYS HB3 H 5.599 9.177 2.986 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . rr_6qyt 1
. 5 . 387 . 1 1 5 CYS N N 6.828 7.057 4.152 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . rr_6qyt 1
. 5 . 388 . 1 1 5 CYS O O 4.485 8.102 6.421 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . rr_6qyt 1
. 5 . 389 . 1 1 5 CYS SG S 3.863 7.634 3.603 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . rr_6qyt 1
. 5 . 390 . 1 1 6 ALA C C 6.401 7.891 9.371 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_6qyt 1
. 5 . 391 . 1 1 6 ALA CA C 6.040 6.836 8.329 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_6qyt 1
. 5 . 392 . 1 1 6 ALA CB C 6.692 5.504 8.703 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_6qyt 1
. 5 . 393 . 1 1 6 ALA H H 7.412 7.079 6.733 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_6qyt 1
. 5 . 394 . 1 1 6 ALA HA H 4.968 6.708 8.315 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_6qyt 1
. 5 . 395 . 1 1 6 ALA HB1 H 7.741 5.661 8.908 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_6qyt 1
. 5 . 396 . 1 1 6 ALA HB2 H 6.587 4.809 7.882 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_6qyt 1
. 5 . 397 . 1 1 6 ALA HB3 H 6.211 5.100 9.581 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_6qyt 1
. 5 . 398 . 1 1 6 ALA N N 6.485 7.250 7.004 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_6qyt 1
. 5 . 399 . 1 1 6 ALA O O 5.917 7.785 10.486 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_6qyt 1
. 5 . 400 . 1 1 6 ALA OXT O 7.157 8.789 9.038 . . . 1.0 . . . . . . . . . . . . A . 6 ALA OXT . . . . . . . . . rr_6qyt 1
. 6 . 401 . 1 1 1 DAL C C 4.276 5.211 3.364 . . . 1.0 . . . . . . . . . . . . A . 1 DAL C . . . . . . . . . rr_6qyt 1
. 6 . 402 . 1 1 1 DAL CA C 4.279 5.809 1.961 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CA . . . . . . . . . rr_6qyt 1
. 6 . 403 . 1 1 1 DAL CB C 3.715 7.229 2.007 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CB . . . . . . . . . rr_6qyt 1
. 6 . 404 . 1 1 1 DAL H2 H 5.809 5.048 0.775 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H2 . . . . . . . . . rr_6qyt 1
. 6 . 405 . 1 1 1 DAL H3 H 6.343 5.763 2.221 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H3 . . . . . . . . . rr_6qyt 1
. 6 . 406 . 1 1 1 DAL HA H 3.665 5.202 1.313 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HA . . . . . . . . . rr_6qyt 1
. 6 . 407 . 1 1 1 DAL HB1 H 2.990 7.297 2.798 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB1 . . . . . . . . . rr_6qyt 1
. 6 . 408 . 1 1 1 DAL HB2 H 3.239 7.455 1.064 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB2 . . . . . . . . . rr_6qyt 1
. 6 . 409 . 1 1 1 DAL N N 5.670 5.842 1.433 . . . 1.0 . . . . . . . . . . . . A . 1 DAL N . . . . . . . . . rr_6qyt 1
. 6 . 410 . 1 1 1 DAL O O 5.067 5.602 4.222 . . . 1.0 . . . . . . . . . . . . A . 1 DAL O . . . . . . . . . rr_6qyt 1
. 6 . 411 . 1 1 2 LEU C C 4.652 3.364 5.489 . . . 1.0 . . . . . . . . . . . . A . 2 LEU C . . . . . . . . . rr_6qyt 1
. 6 . 412 . 1 1 2 LEU CA C 3.270 3.623 4.895 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CA . . . . . . . . . rr_6qyt 1
. 6 . 413 . 1 1 2 LEU CB C 2.516 2.299 4.759 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CB . . . . . . . . . rr_6qyt 1
. 6 . 414 . 1 1 2 LEU CD1 C 0.388 3.533 4.332 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD1 . . . . . . . . . rr_6qyt 1
. 6 . 415 . 1 1 2 LEU CD2 C 0.322 1.156 5.095 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD2 . . . . . . . . . rr_6qyt 1
. 6 . 416 . 1 1 2 LEU CG C 1.069 2.487 5.215 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CG . . . . . . . . . rr_6qyt 1
. 6 . 417 . 1 1 2 LEU H H 2.768 3.997 2.873 . . . 1.0 . . . . . . . . . . . . A . 2 LEU H . . . . . . . . . rr_6qyt 1
. 6 . 418 . 1 1 2 LEU HA H 2.717 4.269 5.559 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HA . . . . . . . . . rr_6qyt 1
. 6 . 419 . 1 1 2 LEU HB2 H 2.532 1.981 3.726 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB2 . . . . . . . . . rr_6qyt 1
. 6 . 420 . 1 1 2 LEU HB3 H 2.990 1.549 5.373 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB3 . . . . . . . . . rr_6qyt 1
. 6 . 421 . 1 1 2 LEU HD11 H 1.135 4.055 3.752 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD11 . . . . . . . . . rr_6qyt 1
. 6 . 422 . 1 1 2 LEU HD12 H -0.143 4.238 4.953 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD12 . . . . . . . . . rr_6qyt 1
. 6 . 423 . 1 1 2 LEU HD13 H -0.307 3.045 3.666 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD13 . . . . . . . . . rr_6qyt 1
. 6 . 424 . 1 1 2 LEU HD21 H 0.426 0.774 4.090 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD21 . . . . . . . . . rr_6qyt 1
. 6 . 425 . 1 1 2 LEU HD22 H -0.724 1.309 5.316 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD22 . . . . . . . . . rr_6qyt 1
. 6 . 426 . 1 1 2 LEU HD23 H 0.737 0.445 5.795 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD23 . . . . . . . . . rr_6qyt 1
. 6 . 427 . 1 1 2 LEU HG H 1.056 2.818 6.243 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HG . . . . . . . . . rr_6qyt 1
. 6 . 428 . 1 1 2 LEU N N 3.376 4.265 3.592 . . . 1.0 . . . . . . . . . . . . A . 2 LEU N . . . . . . . . . rr_6qyt 1
. 6 . 429 . 1 1 2 LEU O O 4.895 3.651 6.662 . . . 1.0 . . . . . . . . . . . . A . 2 LEU O . . . . . . . . . rr_6qyt 1
. 6 . 430 . 1 1 3 SER C C 7.879 3.639 4.896 . . . 1.0 . . . . . . . . . . . . A . 3 SER C . . . . . . . . . rr_6qyt 1
. 6 . 431 . 1 1 3 SER CA C 6.894 2.493 5.152 . . . 1.0 . . . . . . . . . . . . A . 3 SER CA . . . . . . . . . rr_6qyt 1
. 6 . 432 . 1 1 3 SER CB C 7.403 1.228 4.462 . . . 1.0 . . . . . . . . . . . . A . 3 SER CB . . . . . . . . . rr_6qyt 1
. 6 . 433 . 1 1 3 SER H H 5.292 2.581 3.761 . . . 1.0 . . . . . . . . . . . . A . 3 SER H . . . . . . . . . rr_6qyt 1
. 6 . 434 . 1 1 3 SER HA H 6.853 2.307 6.214 . . . 1.0 . . . . . . . . . . . . A . 3 SER HA . . . . . . . . . rr_6qyt 1
. 6 . 435 . 1 1 3 SER HB2 H 6.569 0.597 4.203 . . . 1.0 . . . . . . . . . . . . A . 3 SER HB2 . . . . . . . . . rr_6qyt 1
. 6 . 436 . 1 1 3 SER HB3 H 7.940 1.499 3.563 . . . 1.0 . . . . . . . . . . . . A . 3 SER HB3 . . . . . . . . . rr_6qyt 1
. 6 . 437 . 1 1 3 SER HG H 8.985 1.110 5.591 . . . 1.0 . . . . . . . . . . . . A . 3 SER HG . . . . . . . . . rr_6qyt 1
. 6 . 438 . 1 1 3 SER N N 5.547 2.804 4.681 . . . 1.0 . . . . . . . . . . . . A . 3 SER N . . . . . . . . . rr_6qyt 1
. 6 . 439 . 1 1 3 SER O O 8.793 3.858 5.691 . . . 1.0 . . . . . . . . . . . . A . 3 SER O . . . . . . . . . rr_6qyt 1
. 6 . 440 . 1 1 3 SER OG O 8.264 0.525 5.349 . . . 1.0 . . . . . . . . . . . . A . 3 SER OG . . . . . . . . . rr_6qyt 1
. 6 . 441 . 1 1 4 LEU C C 8.161 6.755 4.144 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . rr_6qyt 1
. 6 . 442 . 1 1 4 LEU CA C 8.620 5.463 3.474 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . rr_6qyt 1
. 6 . 443 . 1 1 4 LEU CB C 8.702 5.662 1.953 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . rr_6qyt 1
. 6 . 444 . 1 1 4 LEU CD1 C 10.452 5.958 0.194 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . rr_6qyt 1
. 6 . 445 . 1 1 4 LEU CD2 C 9.725 7.912 1.564 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . rr_6qyt 1
. 6 . 446 . 1 1 4 LEU CG C 9.991 6.404 1.583 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . rr_6qyt 1
. 6 . 447 . 1 1 4 LEU H H 6.972 4.151 3.176 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . rr_6qyt 1
. 6 . 448 . 1 1 4 LEU HA H 9.601 5.210 3.845 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . rr_6qyt 1
. 6 . 449 . 1 1 4 LEU HB2 H 8.691 4.700 1.463 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . rr_6qyt 1
. 6 . 450 . 1 1 4 LEU HB3 H 7.855 6.242 1.622 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . rr_6qyt 1
. 6 . 451 . 1 1 4 LEU HD11 H 11.046 6.737 -0.256 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . rr_6qyt 1
. 6 . 452 . 1 1 4 LEU HD12 H 9.589 5.760 -0.425 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . rr_6qyt 1
. 6 . 453 . 1 1 4 LEU HD13 H 11.044 5.058 0.282 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . rr_6qyt 1
. 6 . 454 . 1 1 4 LEU HD21 H 9.514 8.228 0.552 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . rr_6qyt 1
. 6 . 455 . 1 1 4 LEU HD22 H 10.596 8.436 1.930 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . rr_6qyt 1
. 6 . 456 . 1 1 4 LEU HD23 H 8.878 8.136 2.195 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . rr_6qyt 1
. 6 . 457 . 1 1 4 LEU HG H 10.763 6.182 2.305 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . rr_6qyt 1
. 6 . 458 . 1 1 4 LEU N N 7.708 4.361 3.789 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . rr_6qyt 1
. 6 . 459 . 1 1 4 LEU O O 8.974 7.508 4.682 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . rr_6qyt 1
. 6 . 460 . 1 1 5 CYS C C 6.170 8.038 6.229 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . rr_6qyt 1
. 6 . 461 . 1 1 5 CYS CA C 6.304 8.209 4.718 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . rr_6qyt 1
. 6 . 462 . 1 1 5 CYS CB C 4.935 8.505 4.110 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . rr_6qyt 1
. 6 . 463 . 1 1 5 CYS H H 6.257 6.374 3.669 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . rr_6qyt 1
. 6 . 464 . 1 1 5 CYS HA H 6.963 9.041 4.516 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . rr_6qyt 1
. 6 . 465 . 1 1 5 CYS HB2 H 4.223 7.779 4.468 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . rr_6qyt 1
. 6 . 466 . 1 1 5 CYS HB3 H 4.617 9.495 4.399 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . rr_6qyt 1
. 6 . 467 . 1 1 5 CYS N N 6.859 7.007 4.111 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . rr_6qyt 1
. 6 . 468 . 1 1 5 CYS O O 5.090 8.230 6.790 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . rr_6qyt 1
. 6 . 469 . 1 1 5 CYS SG S 5.056 8.413 2.302 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . rr_6qyt 1
. 6 . 470 . 1 1 6 ALA C C 8.601 7.894 8.932 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_6qyt 1
. 6 . 471 . 1 1 6 ALA CA C 7.261 7.485 8.328 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_6qyt 1
. 6 . 472 . 1 1 6 ALA CB C 6.978 6.018 8.662 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_6qyt 1
. 6 . 473 . 1 1 6 ALA H H 8.102 7.538 6.383 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_6qyt 1
. 6 . 474 . 1 1 6 ALA HA H 6.482 8.096 8.759 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_6qyt 1
. 6 . 475 . 1 1 6 ALA HB1 H 5.937 5.800 8.473 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_6qyt 1
. 6 . 476 . 1 1 6 ALA HB2 H 7.201 5.837 9.703 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_6qyt 1
. 6 . 477 . 1 1 6 ALA HB3 H 7.597 5.383 8.046 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_6qyt 1
. 6 . 478 . 1 1 6 ALA N N 7.270 7.677 6.882 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_6qyt 1
. 6 . 479 . 1 1 6 ALA O O 9.568 7.183 8.713 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_6qyt 1
. 6 . 480 . 1 1 6 ALA OXT O 8.640 8.912 9.602 . . . 1.0 . . . . . . . . . . . . A . 6 ALA OXT . . . . . . . . . rr_6qyt 1
. 7 . 481 . 1 1 1 DAL C C 4.329 5.154 3.378 . . . 1.0 . . . . . . . . . . . . A . 1 DAL C . . . . . . . . . rr_6qyt 1
. 7 . 482 . 1 1 1 DAL CA C 4.350 5.694 1.953 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CA . . . . . . . . . rr_6qyt 1
. 7 . 483 . 1 1 1 DAL CB C 3.816 7.129 1.928 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CB . . . . . . . . . rr_6qyt 1
. 7 . 484 . 1 1 1 DAL H2 H 5.889 4.830 0.851 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H2 . . . . . . . . . rr_6qyt 1
. 7 . 485 . 1 1 1 DAL H3 H 6.411 5.653 2.241 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H3 . . . . . . . . . rr_6qyt 1
. 7 . 486 . 1 1 1 DAL HA H 3.730 5.071 1.325 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HA . . . . . . . . . rr_6qyt 1
. 7 . 487 . 1 1 1 DAL HB1 H 3.068 7.246 2.692 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB1 . . . . . . . . . rr_6qyt 1
. 7 . 488 . 1 1 1 DAL HB2 H 3.374 7.327 0.962 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB2 . . . . . . . . . rr_6qyt 1
. 7 . 489 . 1 1 1 DAL N N 5.748 5.675 1.441 . . . 1.0 . . . . . . . . . . . . A . 1 DAL N . . . . . . . . . rr_6qyt 1
. 7 . 490 . 1 1 1 DAL O O 5.178 5.501 4.197 . . . 1.0 . . . . . . . . . . . . A . 1 DAL O . . . . . . . . . rr_6qyt 1
. 7 . 491 . 1 1 2 LEU C C 4.636 3.340 5.525 . . . 1.0 . . . . . . . . . . . . A . 2 LEU C . . . . . . . . . rr_6qyt 1
. 7 . 492 . 1 1 2 LEU CA C 3.252 3.713 4.999 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CA . . . . . . . . . rr_6qyt 1
. 7 . 493 . 1 1 2 LEU CB C 2.368 2.465 4.953 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CB . . . . . . . . . rr_6qyt 1
. 7 . 494 . 1 1 2 LEU CD1 C 1.932 2.689 7.404 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD1 . . . . . . . . . rr_6qyt 1
. 7 . 495 . 1 1 2 LEU CD2 C 0.410 3.792 5.755 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD2 . . . . . . . . . rr_6qyt 1
. 7 . 496 . 1 1 2 LEU CG C 1.281 2.561 6.025 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CG . . . . . . . . . rr_6qyt 1
. 7 . 497 . 1 1 2 LEU H H 2.708 4.048 2.978 . . . 1.0 . . . . . . . . . . . . A . 2 LEU H . . . . . . . . . rr_6qyt 1
. 7 . 498 . 1 1 2 LEU HA H 2.805 4.436 5.666 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HA . . . . . . . . . rr_6qyt 1
. 7 . 499 . 1 1 2 LEU HB2 H 1.906 2.388 3.979 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB2 . . . . . . . . . rr_6qyt 1
. 7 . 500 . 1 1 2 LEU HB3 H 2.972 1.588 5.134 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB3 . . . . . . . . . rr_6qyt 1
. 7 . 501 . 1 1 2 LEU HD11 H 1.511 1.952 8.071 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD11 . . . . . . . . . rr_6qyt 1
. 7 . 502 . 1 1 2 LEU HD12 H 1.749 3.678 7.799 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD12 . . . . . . . . . rr_6qyt 1
. 7 . 503 . 1 1 2 LEU HD13 H 2.997 2.528 7.317 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD13 . . . . . . . . . rr_6qyt 1
. 7 . 504 . 1 1 2 LEU HD21 H -0.629 3.534 5.894 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD21 . . . . . . . . . rr_6qyt 1
. 7 . 505 . 1 1 2 LEU HD22 H 0.566 4.128 4.741 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD22 . . . . . . . . . rr_6qyt 1
. 7 . 506 . 1 1 2 LEU HD23 H 0.680 4.581 6.441 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD23 . . . . . . . . . rr_6qyt 1
. 7 . 507 . 1 1 2 LEU HG H 0.669 1.672 5.999 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HG . . . . . . . . . rr_6qyt 1
. 7 . 508 . 1 1 2 LEU N N 3.359 4.296 3.669 . . . 1.0 . . . . . . . . . . . . A . 2 LEU N . . . . . . . . . rr_6qyt 1
. 7 . 509 . 1 1 2 LEU O O 4.911 3.453 6.720 . . . 1.0 . . . . . . . . . . . . A . 2 LEU O . . . . . . . . . rr_6qyt 1
. 7 . 510 . 1 1 3 SER C C 7.841 3.643 4.858 . . . 1.0 . . . . . . . . . . . . A . 3 SER C . . . . . . . . . rr_6qyt 1
. 7 . 511 . 1 1 3 SER CA C 6.851 2.485 4.996 . . . 1.0 . . . . . . . . . . . . A . 3 SER CA . . . . . . . . . rr_6qyt 1
. 7 . 512 . 1 1 3 SER CB C 7.305 1.322 4.113 . . . 1.0 . . . . . . . . . . . . A . 3 SER CB . . . . . . . . . rr_6qyt 1
. 7 . 513 . 1 1 3 SER H H 5.218 2.810 3.685 . . . 1.0 . . . . . . . . . . . . A . 3 SER H . . . . . . . . . rr_6qyt 1
. 7 . 514 . 1 1 3 SER HA H 6.843 2.154 6.023 . . . 1.0 . . . . . . . . . . . . A . 3 SER HA . . . . . . . . . rr_6qyt 1
. 7 . 515 . 1 1 3 SER HB2 H 7.949 0.669 4.677 . . . 1.0 . . . . . . . . . . . . A . 3 SER HB2 . . . . . . . . . rr_6qyt 1
. 7 . 516 . 1 1 3 SER HB3 H 6.438 0.767 3.777 . . . 1.0 . . . . . . . . . . . . A . 3 SER HB3 . . . . . . . . . rr_6qyt 1
. 7 . 517 . 1 1 3 SER HG H 8.457 2.643 3.268 . . . 1.0 . . . . . . . . . . . . A . 3 SER HG . . . . . . . . . rr_6qyt 1
. 7 . 518 . 1 1 3 SER N N 5.499 2.886 4.621 . . . 1.0 . . . . . . . . . . . . A . 3 SER N . . . . . . . . . rr_6qyt 1
. 7 . 519 . 1 1 3 SER O O 8.681 3.853 5.733 . . . 1.0 . . . . . . . . . . . . A . 3 SER O . . . . . . . . . rr_6qyt 1
. 7 . 520 . 1 1 3 SER OG O 8.018 1.834 2.995 . . . 1.0 . . . . . . . . . . . . A . 3 SER OG . . . . . . . . . rr_6qyt 1
. 7 . 521 . 1 1 4 LEU C C 8.152 6.767 4.225 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . rr_6qyt 1
. 7 . 522 . 1 1 4 LEU CA C 8.660 5.507 3.530 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . rr_6qyt 1
. 7 . 523 . 1 1 4 LEU CB C 8.802 5.766 2.025 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . rr_6qyt 1
. 7 . 524 . 1 1 4 LEU CD1 C 10.616 6.313 0.397 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . rr_6qyt 1
. 7 . 525 . 1 1 4 LEU CD2 C 9.592 8.125 1.775 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . rr_6qyt 1
. 7 . 526 . 1 1 4 LEU CG C 10.020 6.655 1.764 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . rr_6qyt 1
. 7 . 527 . 1 1 4 LEU H H 7.068 4.177 3.085 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . rr_6qyt 1
. 7 . 528 . 1 1 4 LEU HA H 9.629 5.253 3.931 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . rr_6qyt 1
. 7 . 529 . 1 1 4 LEU HB2 H 8.927 4.827 1.508 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . rr_6qyt 1
. 7 . 530 . 1 1 4 LEU HB3 H 7.916 6.262 1.661 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . rr_6qyt 1
. 7 . 531 . 1 1 4 LEU HD11 H 11.583 6.785 0.296 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . rr_6qyt 1
. 7 . 532 . 1 1 4 LEU HD12 H 9.958 6.670 -0.383 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . rr_6qyt 1
. 7 . 533 . 1 1 4 LEU HD13 H 10.727 5.243 0.311 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . rr_6qyt 1
. 7 . 534 . 1 1 4 LEU HD21 H 8.673 8.228 2.335 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . rr_6qyt 1
. 7 . 535 . 1 1 4 LEU HD22 H 9.434 8.462 0.762 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . rr_6qyt 1
. 7 . 536 . 1 1 4 LEU HD23 H 10.364 8.723 2.236 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . rr_6qyt 1
. 7 . 537 . 1 1 4 LEU HG H 10.763 6.489 2.531 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . rr_6qyt 1
. 7 . 538 . 1 1 4 LEU N N 7.750 4.386 3.757 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . rr_6qyt 1
. 7 . 539 . 1 1 4 LEU O O 8.923 7.493 4.852 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . rr_6qyt 1
. 7 . 540 . 1 1 5 CYS C C 5.959 7.942 6.197 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . rr_6qyt 1
. 7 . 541 . 1 1 5 CYS CA C 6.255 8.198 4.722 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . rr_6qyt 1
. 7 . 542 . 1 1 5 CYS CB C 4.957 8.551 3.997 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . rr_6qyt 1
. 7 . 543 . 1 1 5 CYS H H 6.289 6.408 3.592 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . rr_6qyt 1
. 7 . 544 . 1 1 5 CYS HA H 6.939 9.027 4.638 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . rr_6qyt 1
. 7 . 545 . 1 1 5 CYS HB2 H 4.162 7.923 4.365 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . rr_6qyt 1
. 7 . 546 . 1 1 5 CYS HB3 H 4.713 9.587 4.183 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . rr_6qyt 1
. 7 . 547 . 1 1 5 CYS N N 6.855 7.021 4.105 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . rr_6qyt 1
. 7 . 548 . 1 1 5 CYS O O 5.054 8.547 6.771 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . rr_6qyt 1
. 7 . 549 . 1 1 5 CYS SG S 5.179 8.294 2.213 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . rr_6qyt 1
. 7 . 550 . 1 1 6 ALA C C 6.404 7.992 9.043 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_6qyt 1
. 7 . 551 . 1 1 6 ALA CA C 6.533 6.719 8.212 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_6qyt 1
. 7 . 552 . 1 1 6 ALA CB C 7.709 5.889 8.728 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_6qyt 1
. 7 . 553 . 1 1 6 ALA H H 7.432 6.590 6.298 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_6qyt 1
. 7 . 554 . 1 1 6 ALA HA H 5.626 6.141 8.316 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_6qyt 1
. 7 . 555 . 1 1 6 ALA HB1 H 8.069 5.245 7.938 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_6qyt 1
. 7 . 556 . 1 1 6 ALA HB2 H 7.385 5.286 9.563 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_6qyt 1
. 7 . 557 . 1 1 6 ALA HB3 H 8.503 6.547 9.046 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_6qyt 1
. 7 . 558 . 1 1 6 ALA N N 6.726 7.043 6.804 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_6qyt 1
. 7 . 559 . 1 1 6 ALA O O 5.295 8.300 9.450 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_6qyt 1
. 7 . 560 . 1 1 6 ALA OXT O 7.415 8.640 9.259 . . . 1.0 . . . . . . . . . . . . A . 6 ALA OXT . . . . . . . . . rr_6qyt 1
. 8 . 561 . 1 1 1 DAL C C 4.296 5.034 3.409 . . . 1.0 . . . . . . . . . . . . A . 1 DAL C . . . . . . . . . rr_6qyt 1
. 8 . 562 . 1 1 1 DAL CA C 4.294 5.794 2.088 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CA . . . . . . . . . rr_6qyt 1
. 8 . 563 . 1 1 1 DAL CB C 4.068 7.283 2.350 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CB . . . . . . . . . rr_6qyt 1
. 8 . 564 . 1 1 1 DAL H2 H 5.524 5.907 0.414 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H2 . . . . . . . . . rr_6qyt 1
. 8 . 565 . 1 1 1 DAL H3 H 5.872 4.602 1.444 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H3 . . . . . . . . . rr_6qyt 1
. 8 . 566 . 1 1 1 DAL HA H 3.502 5.416 1.458 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HA . . . . . . . . . rr_6qyt 1
. 8 . 567 . 1 1 1 DAL HB1 H 3.751 7.420 3.372 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB1 . . . . . . . . . rr_6qyt 1
. 8 . 568 . 1 1 1 DAL HB2 H 3.305 7.653 1.682 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB2 . . . . . . . . . rr_6qyt 1
. 8 . 569 . 1 1 1 DAL N N 5.604 5.605 1.406 . . . 1.0 . . . . . . . . . . . . A . 1 DAL N . . . . . . . . . rr_6qyt 1
. 8 . 570 . 1 1 1 DAL O O 5.222 5.165 4.210 . . . 1.0 . . . . . . . . . . . . A . 1 DAL O . . . . . . . . . rr_6qyt 1
. 8 . 571 . 1 1 2 LEU C C 4.488 3.221 5.487 . . . 1.0 . . . . . . . . . . . . A . 2 LEU C . . . . . . . . . rr_6qyt 1
. 8 . 572 . 1 1 2 LEU CA C 3.126 3.459 4.847 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CA . . . . . . . . . rr_6qyt 1
. 8 . 573 . 1 1 2 LEU CB C 2.481 2.111 4.530 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CB . . . . . . . . . rr_6qyt 1
. 8 . 574 . 1 1 2 LEU CD1 C 0.568 1.349 3.124 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD1 . . . . . . . . . rr_6qyt 1
. 8 . 575 . 1 1 2 LEU CD2 C 0.183 2.031 5.496 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD2 . . . . . . . . . rr_6qyt 1
. 8 . 576 . 1 1 2 LEU CG C 0.997 2.312 4.231 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CG . . . . . . . . . rr_6qyt 1
. 8 . 577 . 1 1 2 LEU H H 2.548 4.185 2.945 . . . 1.0 . . . . . . . . . . . . A . 2 LEU H . . . . . . . . . rr_6qyt 1
. 8 . 578 . 1 1 2 LEU HA H 2.498 3.991 5.544 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HA . . . . . . . . . rr_6qyt 1
. 8 . 579 . 1 1 2 LEU HB2 H 2.966 1.675 3.669 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB2 . . . . . . . . . rr_6qyt 1
. 8 . 580 . 1 1 2 LEU HB3 H 2.589 1.451 5.378 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB3 . . . . . . . . . rr_6qyt 1
. 8 . 581 . 1 1 2 LEU HD11 H 0.673 1.835 2.165 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD11 . . . . . . . . . rr_6qyt 1
. 8 . 582 . 1 1 2 LEU HD12 H -0.461 1.064 3.274 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD12 . . . . . . . . . rr_6qyt 1
. 8 . 583 . 1 1 2 LEU HD13 H 1.194 0.469 3.151 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD13 . . . . . . . . . rr_6qyt 1
. 8 . 584 . 1 1 2 LEU HD21 H 0.532 2.667 6.296 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD21 . . . . . . . . . rr_6qyt 1
. 8 . 585 . 1 1 2 LEU HD22 H 0.304 0.996 5.779 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD22 . . . . . . . . . rr_6qyt 1
. 8 . 586 . 1 1 2 LEU HD23 H -0.861 2.233 5.304 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD23 . . . . . . . . . rr_6qyt 1
. 8 . 587 . 1 1 2 LEU HG H 0.829 3.330 3.909 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HG . . . . . . . . . rr_6qyt 1
. 8 . 588 . 1 1 2 LEU N N 3.252 4.243 3.624 . . . 1.0 . . . . . . . . . . . . A . 2 LEU N . . . . . . . . . rr_6qyt 1
. 8 . 589 . 1 1 2 LEU O O 4.630 3.279 6.709 . . . 1.0 . . . . . . . . . . . . A . 2 LEU O . . . . . . . . . rr_6qyt 1
. 8 . 590 . 1 1 3 SER C C 7.762 3.866 4.947 . . . 1.0 . . . . . . . . . . . . A . 3 SER C . . . . . . . . . rr_6qyt 1
. 8 . 591 . 1 1 3 SER CA C 6.828 2.673 5.161 . . . 1.0 . . . . . . . . . . . . A . 3 SER CA . . . . . . . . . rr_6qyt 1
. 8 . 592 . 1 1 3 SER CB C 7.406 1.436 4.473 . . . 1.0 . . . . . . . . . . . . A . 3 SER CB . . . . . . . . . rr_6qyt 1
. 8 . 593 . 1 1 3 SER H H 5.311 2.891 3.693 . . . 1.0 . . . . . . . . . . . . A . 3 SER H . . . . . . . . . rr_6qyt 1
. 8 . 594 . 1 1 3 SER HA H 6.762 2.473 6.220 . . . 1.0 . . . . . . . . . . . . A . 3 SER HA . . . . . . . . . rr_6qyt 1
. 8 . 595 . 1 1 3 SER HB2 H 6.646 0.675 4.399 . . . 1.0 . . . . . . . . . . . . A . 3 SER HB2 . . . . . . . . . rr_6qyt 1
. 8 . 596 . 1 1 3 SER HB3 H 7.741 1.701 3.480 . . . 1.0 . . . . . . . . . . . . A . 3 SER HB3 . . . . . . . . . rr_6qyt 1
. 8 . 597 . 1 1 3 SER HG H 8.147 0.629 6.080 . . . 1.0 . . . . . . . . . . . . A . 3 SER HG . . . . . . . . . rr_6qyt 1
. 8 . 598 . 1 1 3 SER N N 5.485 2.937 4.657 . . . 1.0 . . . . . . . . . . . . A . 3 SER N . . . . . . . . . rr_6qyt 1
. 8 . 599 . 1 1 3 SER O O 8.403 4.332 5.890 . . . 1.0 . . . . . . . . . . . . A . 3 SER O . . . . . . . . . rr_6qyt 1
. 8 . 600 . 1 1 3 SER OG O 8.493 0.936 5.239 . . . 1.0 . . . . . . . . . . . . A . 3 SER OG . . . . . . . . . rr_6qyt 1
. 8 . 601 . 1 1 4 LEU C C 8.245 6.758 4.091 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . rr_6qyt 1
. 8 . 602 . 1 1 4 LEU CA C 8.736 5.479 3.412 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . rr_6qyt 1
. 8 . 603 . 1 1 4 LEU CB C 8.838 5.701 1.896 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . rr_6qyt 1
. 8 . 604 . 1 1 4 LEU CD1 C 8.965 3.367 1.010 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . rr_6qyt 1
. 8 . 605 . 1 1 4 LEU CD2 C 10.319 5.179 -0.047 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . rr_6qyt 1
. 8 . 606 . 1 1 4 LEU CG C 9.759 4.647 1.276 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . rr_6qyt 1
. 8 . 607 . 1 1 4 LEU H H 7.334 3.941 2.988 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . rr_6qyt 1
. 8 . 608 . 1 1 4 LEU HA H 9.720 5.249 3.791 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . rr_6qyt 1
. 8 . 609 . 1 1 4 LEU HB2 H 7.858 5.625 1.453 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . rr_6qyt 1
. 8 . 610 . 1 1 4 LEU HB3 H 9.244 6.683 1.704 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . rr_6qyt 1
. 8 . 611 . 1 1 4 LEU HD11 H 8.794 2.850 1.942 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . rr_6qyt 1
. 8 . 612 . 1 1 4 LEU HD12 H 9.525 2.728 0.343 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . rr_6qyt 1
. 8 . 613 . 1 1 4 LEU HD13 H 8.017 3.618 0.558 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . rr_6qyt 1
. 8 . 614 . 1 1 4 LEU HD21 H 11.082 4.508 -0.410 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . rr_6qyt 1
. 8 . 615 . 1 1 4 LEU HD22 H 10.746 6.157 0.112 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . rr_6qyt 1
. 8 . 616 . 1 1 4 LEU HD23 H 9.523 5.246 -0.773 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . rr_6qyt 1
. 8 . 617 . 1 1 4 LEU HG H 10.572 4.432 1.953 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . rr_6qyt 1
. 8 . 618 . 1 1 4 LEU N N 7.854 4.351 3.709 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . rr_6qyt 1
. 8 . 619 . 1 1 4 LEU O O 9.046 7.519 4.633 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . rr_6qyt 1
. 8 . 620 . 1 1 5 CYS C C 5.408 7.819 5.802 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . rr_6qyt 1
. 8 . 621 . 1 1 5 CYS CA C 6.383 8.193 4.691 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . rr_6qyt 1
. 8 . 622 . 1 1 5 CYS CB C 5.674 9.062 3.649 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . rr_6qyt 1
. 8 . 623 . 1 1 5 CYS H H 6.331 6.358 3.625 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . rr_6qyt 1
. 8 . 624 . 1 1 5 CYS HA H 7.194 8.762 5.120 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . rr_6qyt 1
. 8 . 625 . 1 1 5 CYS HB2 H 4.671 9.281 3.981 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . rr_6qyt 1
. 8 . 626 . 1 1 5 CYS HB3 H 6.219 9.987 3.524 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . rr_6qyt 1
. 8 . 627 . 1 1 5 CYS N N 6.935 6.995 4.065 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . rr_6qyt 1
. 8 . 628 . 1 1 5 CYS O O 4.242 7.521 5.544 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . rr_6qyt 1
. 8 . 629 . 1 1 5 CYS SG S 5.612 8.185 2.065 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . rr_6qyt 1
. 8 . 630 . 1 1 6 ALA C C 5.120 8.609 9.231 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_6qyt 1
. 8 . 631 . 1 1 6 ALA CA C 5.060 7.502 8.185 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_6qyt 1
. 8 . 632 . 1 1 6 ALA CB C 5.531 6.185 8.806 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_6qyt 1
. 8 . 633 . 1 1 6 ALA H H 6.833 8.084 7.183 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_6qyt 1
. 8 . 634 . 1 1 6 ALA HA H 4.039 7.386 7.854 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_6qyt 1
. 8 . 635 . 1 1 6 ALA HB1 H 4.845 5.890 9.587 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_6qyt 1
. 8 . 636 . 1 1 6 ALA HB2 H 6.517 6.318 9.224 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_6qyt 1
. 8 . 637 . 1 1 6 ALA HB3 H 5.561 5.418 8.046 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_6qyt 1
. 8 . 638 . 1 1 6 ALA N N 5.895 7.837 7.039 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_6qyt 1
. 8 . 639 . 1 1 6 ALA O O 6.209 9.094 9.491 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_6qyt 1
. 8 . 640 . 1 1 6 ALA OXT O 4.076 8.958 9.757 . . . 1.0 . . . . . . . . . . . . A . 6 ALA OXT . . . . . . . . . rr_6qyt 1
. 9 . 641 . 1 1 1 DAL C C 4.480 4.988 3.274 . . . 1.0 . . . . . . . . . . . . A . 1 DAL C . . . . . . . . . rr_6qyt 1
. 9 . 642 . 1 1 1 DAL CA C 4.436 5.594 1.877 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CA . . . . . . . . . rr_6qyt 1
. 9 . 643 . 1 1 1 DAL CB C 4.454 7.120 1.963 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CB . . . . . . . . . rr_6qyt 1
. 9 . 644 . 1 1 1 DAL H2 H 5.812 5.801 0.328 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H2 . . . . . . . . . rr_6qyt 1
. 9 . 645 . 1 1 1 DAL H3 H 5.437 4.189 0.710 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H3 . . . . . . . . . rr_6qyt 1
. 9 . 646 . 1 1 1 DAL HA H 3.535 5.273 1.375 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HA . . . . . . . . . rr_6qyt 1
. 9 . 647 . 1 1 1 DAL HB1 H 3.802 7.525 1.203 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB1 . . . . . . . . . rr_6qyt 1
. 9 . 648 . 1 1 1 DAL HB2 H 5.460 7.473 1.799 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB2 . . . . . . . . . rr_6qyt 1
. 9 . 649 . 1 1 1 DAL N N 5.624 5.133 1.102 . . . 1.0 . . . . . . . . . . . . A . 1 DAL N . . . . . . . . . rr_6qyt 1
. 9 . 650 . 1 1 1 DAL O O 5.506 5.045 3.951 . . . 1.0 . . . . . . . . . . . . A . 1 DAL O . . . . . . . . . rr_6qyt 1
. 9 . 651 . 1 1 2 LEU C C 4.653 3.422 5.531 . . . 1.0 . . . . . . . . . . . . A . 2 LEU C . . . . . . . . . rr_6qyt 1
. 9 . 652 . 1 1 2 LEU CA C 3.266 3.794 5.020 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CA . . . . . . . . . rr_6qyt 1
. 9 . 653 . 1 1 2 LEU CB C 2.395 2.533 4.954 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CB . . . . . . . . . rr_6qyt 1
. 9 . 654 . 1 1 2 LEU CD1 C 0.404 3.072 3.536 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD1 . . . . . . . . . rr_6qyt 1
. 9 . 655 . 1 1 2 LEU CD2 C 0.112 1.802 5.663 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD2 . . . . . . . . . rr_6qyt 1
. 9 . 656 . 1 1 2 LEU CG C 0.909 2.911 4.971 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CG . . . . . . . . . rr_6qyt 1
. 9 . 657 . 1 1 2 LEU H H 2.575 4.405 3.109 . . . 1.0 . . . . . . . . . . . . A . 2 LEU H . . . . . . . . . rr_6qyt 1
. 9 . 658 . 1 1 2 LEU HA H 2.819 4.497 5.706 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HA . . . . . . . . . rr_6qyt 1
. 9 . 659 . 1 1 2 LEU HB2 H 2.617 1.992 4.046 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB2 . . . . . . . . . rr_6qyt 1
. 9 . 660 . 1 1 2 LEU HB3 H 2.611 1.905 5.806 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB3 . . . . . . . . . rr_6qyt 1
. 9 . 661 . 1 1 2 LEU HD11 H -0.625 3.398 3.552 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD11 . . . . . . . . . rr_6qyt 1
. 9 . 662 . 1 1 2 LEU HD12 H 0.475 2.125 3.022 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD12 . . . . . . . . . rr_6qyt 1
. 9 . 663 . 1 1 2 LEU HD13 H 1.006 3.806 3.023 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD13 . . . . . . . . . rr_6qyt 1
. 9 . 664 . 1 1 2 LEU HD21 H 0.555 1.587 6.625 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD21 . . . . . . . . . rr_6qyt 1
. 9 . 665 . 1 1 2 LEU HD22 H 0.128 0.911 5.053 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD22 . . . . . . . . . rr_6qyt 1
. 9 . 666 . 1 1 2 LEU HD23 H -0.909 2.124 5.802 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD23 . . . . . . . . . rr_6qyt 1
. 9 . 667 . 1 1 2 LEU HG H 0.774 3.839 5.505 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HG . . . . . . . . . rr_6qyt 1
. 9 . 668 . 1 1 2 LEU N N 3.357 4.412 3.697 . . . 1.0 . . . . . . . . . . . . A . 2 LEU N . . . . . . . . . rr_6qyt 1
. 9 . 669 . 1 1 2 LEU O O 4.963 3.604 6.710 . . . 1.0 . . . . . . . . . . . . A . 2 LEU O . . . . . . . . . rr_6qyt 1
. 9 . 670 . 1 1 3 SER C C 7.815 3.674 4.830 . . . 1.0 . . . . . . . . . . . . A . 3 SER C . . . . . . . . . rr_6qyt 1
. 9 . 671 . 1 1 3 SER CA C 6.841 2.507 5.002 . . . 1.0 . . . . . . . . . . . . A . 3 SER CA . . . . . . . . . rr_6qyt 1
. 9 . 672 . 1 1 3 SER CB C 7.290 1.332 4.133 . . . 1.0 . . . . . . . . . . . . A . 3 SER CB . . . . . . . . . rr_6qyt 1
. 9 . 673 . 1 1 3 SER H H 5.181 2.779 3.712 . . . 1.0 . . . . . . . . . . . . A . 3 SER H . . . . . . . . . rr_6qyt 1
. 9 . 674 . 1 1 3 SER HA H 6.847 2.196 6.036 . . . 1.0 . . . . . . . . . . . . A . 3 SER HA . . . . . . . . . rr_6qyt 1
. 9 . 675 . 1 1 3 SER HB2 H 7.394 0.450 4.743 . . . 1.0 . . . . . . . . . . . . A . 3 SER HB2 . . . . . . . . . rr_6qyt 1
. 9 . 676 . 1 1 3 SER HB3 H 6.549 1.151 3.365 . . . 1.0 . . . . . . . . . . . . A . 3 SER HB3 . . . . . . . . . rr_6qyt 1
. 9 . 677 . 1 1 3 SER HG H 8.408 2.357 2.915 . . . 1.0 . . . . . . . . . . . . A . 3 SER HG . . . . . . . . . rr_6qyt 1
. 9 . 678 . 1 1 3 SER N N 5.485 2.901 4.637 . . . 1.0 . . . . . . . . . . . . A . 3 SER N . . . . . . . . . rr_6qyt 1
. 9 . 679 . 1 1 3 SER O O 8.664 3.914 5.690 . . . 1.0 . . . . . . . . . . . . A . 3 SER O . . . . . . . . . rr_6qyt 1
. 9 . 680 . 1 1 3 SER OG O 8.544 1.641 3.539 . . . 1.0 . . . . . . . . . . . . A . 3 SER OG . . . . . . . . . rr_6qyt 1
. 9 . 681 . 1 1 4 LEU C C 8.108 6.777 4.180 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . rr_6qyt 1
. 9 . 682 . 1 1 4 LEU CA C 8.579 5.522 3.443 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . rr_6qyt 1
. 9 . 683 . 1 1 4 LEU CB C 8.630 5.794 1.937 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . rr_6qyt 1
. 9 . 684 . 1 1 4 LEU CD1 C 10.072 6.589 0.056 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . rr_6qyt 1
. 9 . 685 . 1 1 4 LEU CD2 C 10.108 7.785 2.249 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . rr_6qyt 1
. 9 . 686 . 1 1 4 LEU CG C 9.980 6.417 1.574 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . rr_6qyt 1
. 9 . 687 . 1 1 4 LEU H H 7.007 4.153 3.060 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . rr_6qyt 1
. 9 . 688 . 1 1 4 LEU HA H 9.574 5.274 3.783 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . rr_6qyt 1
. 9 . 689 . 1 1 4 LEU HB2 H 8.508 4.864 1.398 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . rr_6qyt 1
. 9 . 690 . 1 1 4 LEU HB3 H 7.839 6.474 1.665 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . rr_6qyt 1
. 9 . 691 . 1 1 4 LEU HD11 H 9.458 5.843 -0.428 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . rr_6qyt 1
. 9 . 692 . 1 1 4 LEU HD12 H 11.099 6.470 -0.258 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . rr_6qyt 1
. 9 . 693 . 1 1 4 LEU HD13 H 9.724 7.573 -0.217 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . rr_6qyt 1
. 9 . 694 . 1 1 4 LEU HD21 H 10.642 7.677 3.181 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . rr_6qyt 1
. 9 . 695 . 1 1 4 LEU HD22 H 9.124 8.185 2.442 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . rr_6qyt 1
. 9 . 696 . 1 1 4 LEU HD23 H 10.649 8.457 1.599 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . rr_6qyt 1
. 9 . 697 . 1 1 4 LEU HG H 10.776 5.770 1.912 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . rr_6qyt 1
. 9 . 698 . 1 1 4 LEU N N 7.695 4.391 3.715 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . rr_6qyt 1
. 9 . 699 . 1 1 4 LEU O O 8.920 7.520 4.733 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . rr_6qyt 1
. 9 . 700 . 1 1 5 CYS C C 5.613 7.783 6.188 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . rr_6qyt 1
. 9 . 701 . 1 1 5 CYS CA C 6.244 8.180 4.858 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . rr_6qyt 1
. 9 . 702 . 1 1 5 CYS CB C 5.187 8.845 3.974 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . rr_6qyt 1
. 9 . 703 . 1 1 5 CYS H H 6.194 6.389 3.732 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . rr_6qyt 1
. 9 . 704 . 1 1 5 CYS HA H 7.040 8.887 5.043 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . rr_6qyt 1
. 9 . 705 . 1 1 5 CYS HB2 H 4.764 9.689 4.500 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . rr_6qyt 1
. 9 . 706 . 1 1 5 CYS HB3 H 5.644 9.187 3.059 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . rr_6qyt 1
. 9 . 707 . 1 1 5 CYS N N 6.798 7.010 4.185 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . rr_6qyt 1
. 9 . 708 . 1 1 5 CYS O O 4.396 7.857 6.356 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . rr_6qyt 1
. 9 . 709 . 1 1 5 CYS SG S 3.874 7.651 3.598 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . rr_6qyt 1
. 9 . 710 . 1 1 6 ALA C C 6.463 7.902 9.525 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_6qyt 1
. 9 . 711 . 1 1 6 ALA CA C 5.958 6.953 8.443 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_6qyt 1
. 9 . 712 . 1 1 6 ALA CB C 6.423 5.529 8.752 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_6qyt 1
. 9 . 713 . 1 1 6 ALA H H 7.408 7.321 6.943 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_6qyt 1
. 9 . 714 . 1 1 6 ALA HA H 4.878 6.973 8.436 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_6qyt 1
. 9 . 715 . 1 1 6 ALA HB1 H 6.699 5.459 9.794 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_6qyt 1
. 9 . 716 . 1 1 6 ALA HB2 H 7.276 5.288 8.135 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_6qyt 1
. 9 . 717 . 1 1 6 ALA HB3 H 5.621 4.835 8.545 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_6qyt 1
. 9 . 718 . 1 1 6 ALA N N 6.448 7.361 7.132 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_6qyt 1
. 9 . 719 . 1 1 6 ALA O O 5.865 8.952 9.691 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_6qyt 1
. 9 . 720 . 1 1 6 ALA OXT O 7.440 7.563 10.172 . . . 1.0 . . . . . . . . . . . . A . 6 ALA OXT . . . . . . . . . rr_6qyt 1
. 10 . 721 . 1 1 1 DAL C C 4.484 4.981 3.267 . . . 1.0 . . . . . . . . . . . . A . 1 DAL C . . . . . . . . . rr_6qyt 1
. 10 . 722 . 1 1 1 DAL CA C 4.418 5.564 1.863 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CA . . . . . . . . . rr_6qyt 1
. 10 . 723 . 1 1 1 DAL CB C 4.457 7.091 1.928 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CB . . . . . . . . . rr_6qyt 1
. 10 . 724 . 1 1 1 DAL H2 H 6.393 4.927 1.704 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H2 . . . . . . . . . rr_6qyt 1
. 10 . 725 . 1 1 1 DAL H3 H 5.827 5.776 0.346 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H3 . . . . . . . . . rr_6qyt 1
. 10 . 726 . 1 1 1 DAL HA H 3.500 5.248 1.387 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HA . . . . . . . . . rr_6qyt 1
. 10 . 727 . 1 1 1 DAL HB1 H 3.821 7.494 1.156 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB1 . . . . . . . . . rr_6qyt 1
. 10 . 728 . 1 1 1 DAL HB2 H 5.468 7.427 1.773 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB2 . . . . . . . . . rr_6qyt 1
. 10 . 729 . 1 1 1 DAL N N 5.580 5.073 1.071 . . . 1.0 . . . . . . . . . . . . A . 1 DAL N . . . . . . . . . rr_6qyt 1
. 10 . 730 . 1 1 1 DAL O O 5.526 5.031 3.918 . . . 1.0 . . . . . . . . . . . . A . 1 DAL O . . . . . . . . . rr_6qyt 1
. 10 . 731 . 1 1 2 LEU C C 4.681 3.423 5.533 . . . 1.0 . . . . . . . . . . . . A . 2 LEU C . . . . . . . . . rr_6qyt 1
. 10 . 732 . 1 1 2 LEU CA C 3.293 3.846 5.060 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CA . . . . . . . . . rr_6qyt 1
. 10 . 733 . 1 1 2 LEU CB C 2.365 2.630 5.045 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CB . . . . . . . . . rr_6qyt 1
. 10 . 734 . 1 1 2 LEU CD1 C 0.387 4.035 4.446 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD1 . . . . . . . . . rr_6qyt 1
. 10 . 735 . 1 1 2 LEU CD2 C 0.057 1.823 5.556 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD2 . . . . . . . . . rr_6qyt 1
. 10 . 736 . 1 1 2 LEU CG C 0.958 3.057 5.473 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CG . . . . . . . . . rr_6qyt 1
. 10 . 737 . 1 1 2 LEU H H 2.564 4.437 3.156 . . . 1.0 . . . . . . . . . . . . A . 2 LEU H . . . . . . . . . rr_6qyt 1
. 10 . 738 . 1 1 2 LEU HA H 2.897 4.579 5.747 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HA . . . . . . . . . rr_6qyt 1
. 10 . 739 . 1 1 2 LEU HB2 H 2.329 2.217 4.047 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB2 . . . . . . . . . rr_6qyt 1
. 10 . 740 . 1 1 2 LEU HB3 H 2.737 1.885 5.732 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB3 . . . . . . . . . rr_6qyt 1
. 10 . 741 . 1 1 2 LEU HD11 H -0.585 4.374 4.774 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD11 . . . . . . . . . rr_6qyt 1
. 10 . 742 . 1 1 2 LEU HD12 H 0.291 3.539 3.491 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD12 . . . . . . . . . rr_6qyt 1
. 10 . 743 . 1 1 2 LEU HD13 H 1.050 4.881 4.348 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD13 . . . . . . . . . rr_6qyt 1
. 10 . 744 . 1 1 2 LEU HD21 H 0.510 1.089 6.207 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD21 . . . . . . . . . rr_6qyt 1
. 10 . 745 . 1 1 2 LEU HD22 H -0.068 1.400 4.570 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD22 . . . . . . . . . rr_6qyt 1
. 10 . 746 . 1 1 2 LEU HD23 H -0.907 2.107 5.951 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD23 . . . . . . . . . rr_6qyt 1
. 10 . 747 . 1 1 2 LEU HG H 1.006 3.537 6.439 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HG . . . . . . . . . rr_6qyt 1
. 10 . 748 . 1 1 2 LEU N N 3.362 4.437 3.726 . . . 1.0 . . . . . . . . . . . . A . 2 LEU N . . . . . . . . . rr_6qyt 1
. 10 . 749 . 1 1 2 LEU O O 5.019 3.567 6.708 . . . 1.0 . . . . . . . . . . . . A . 2 LEU O . . . . . . . . . rr_6qyt 1
. 10 . 750 . 1 1 3 SER C C 7.827 3.624 4.805 . . . 1.0 . . . . . . . . . . . . A . 3 SER C . . . . . . . . . rr_6qyt 1
. 10 . 751 . 1 1 3 SER CA C 6.834 2.468 4.931 . . . 1.0 . . . . . . . . . . . . A . 3 SER CA . . . . . . . . . rr_6qyt 1
. 10 . 752 . 1 1 3 SER CB C 7.252 1.331 3.999 . . . 1.0 . . . . . . . . . . . . A . 3 SER CB . . . . . . . . . rr_6qyt 1
. 10 . 753 . 1 1 3 SER H H 5.157 2.819 3.685 . . . 1.0 . . . . . . . . . . . . A . 3 SER H . . . . . . . . . rr_6qyt 1
. 10 . 754 . 1 1 3 SER HA H 6.849 2.106 5.949 . . . 1.0 . . . . . . . . . . . . A . 3 SER HA . . . . . . . . . rr_6qyt 1
. 10 . 755 . 1 1 3 SER HB2 H 6.397 0.987 3.443 . . . 1.0 . . . . . . . . . . . . A . 3 SER HB2 . . . . . . . . . rr_6qyt 1
. 10 . 756 . 1 1 3 SER HB3 H 8.005 1.691 3.310 . . . 1.0 . . . . . . . . . . . . A . 3 SER HB3 . . . . . . . . . rr_6qyt 1
. 10 . 757 . 1 1 3 SER HG H 7.938 0.584 5.659 . . . 1.0 . . . . . . . . . . . . A . 3 SER HG . . . . . . . . . rr_6qyt 1
. 10 . 758 . 1 1 3 SER N N 5.481 2.906 4.605 . . . 1.0 . . . . . . . . . . . . A . 3 SER N . . . . . . . . . rr_6qyt 1
. 10 . 759 . 1 1 3 SER O O 8.695 3.800 5.658 . . . 1.0 . . . . . . . . . . . . A . 3 SER O . . . . . . . . . rr_6qyt 1
. 10 . 760 . 1 1 3 SER OG O 7.772 0.257 4.771 . . . 1.0 . . . . . . . . . . . . A . 3 SER OG . . . . . . . . . rr_6qyt 1
. 10 . 761 . 1 1 4 LEU C C 8.104 6.791 4.217 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . rr_6qyt 1
. 10 . 762 . 1 1 4 LEU CA C 8.606 5.530 3.510 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . rr_6qyt 1
. 10 . 763 . 1 1 4 LEU CB C 8.751 5.799 2.008 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . rr_6qyt 1
. 10 . 764 . 1 1 4 LEU CD1 C 10.741 7.191 2.590 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . rr_6qyt 1
. 10 . 765 . 1 1 4 LEU CD2 C 11.042 4.808 1.900 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . rr_6qyt 1
. 10 . 766 . 1 1 4 LEU CG C 10.218 6.079 1.680 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . rr_6qyt 1
. 10 . 767 . 1 1 4 LEU H H 6.997 4.216 3.079 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . rr_6qyt 1
. 10 . 768 . 1 1 4 LEU HA H 9.576 5.276 3.907 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . rr_6qyt 1
. 10 . 769 . 1 1 4 LEU HB2 H 8.417 4.933 1.453 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . rr_6qyt 1
. 10 . 770 . 1 1 4 LEU HB3 H 8.154 6.655 1.733 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . rr_6qyt 1
. 10 . 771 . 1 1 4 LEU HD11 H 11.507 7.751 2.072 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . rr_6qyt 1
. 10 . 772 . 1 1 4 LEU HD12 H 11.158 6.756 3.486 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . rr_6qyt 1
. 10 . 773 . 1 1 4 LEU HD13 H 9.929 7.852 2.855 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . rr_6qyt 1
. 10 . 774 . 1 1 4 LEU HD21 H 11.698 4.945 2.748 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . rr_6qyt 1
. 10 . 775 . 1 1 4 LEU HD22 H 11.633 4.604 1.019 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . rr_6qyt 1
. 10 . 776 . 1 1 4 LEU HD23 H 10.380 3.976 2.089 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . rr_6qyt 1
. 10 . 777 . 1 1 4 LEU HG H 10.302 6.391 0.649 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . rr_6qyt 1
. 10 . 778 . 1 1 4 LEU N N 7.701 4.404 3.732 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . rr_6qyt 1
. 10 . 779 . 1 1 4 LEU O O 8.895 7.547 4.781 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . rr_6qyt 1
. 10 . 780 . 1 1 5 CYS C C 5.557 7.801 6.156 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . rr_6qyt 1
. 10 . 781 . 1 1 5 CYS CA C 6.216 8.189 4.836 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . rr_6qyt 1
. 10 . 782 . 1 1 5 CYS CB C 5.177 8.841 3.919 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . rr_6qyt 1
. 10 . 783 . 1 1 5 CYS H H 6.204 6.384 3.728 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . rr_6qyt 1
. 10 . 784 . 1 1 5 CYS HA H 7.002 8.901 5.034 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . rr_6qyt 1
. 10 . 785 . 1 1 5 CYS HB2 H 4.751 9.699 4.419 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . rr_6qyt 1
. 10 . 786 . 1 1 5 CYS HB3 H 5.651 9.160 3.005 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . rr_6qyt 1
. 10 . 787 . 1 1 5 CYS N N 6.792 7.014 4.188 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . rr_6qyt 1
. 10 . 788 . 1 1 5 CYS O O 4.407 8.154 6.413 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . rr_6qyt 1
. 10 . 789 . 1 1 5 CYS SG S 3.862 7.649 3.549 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . rr_6qyt 1
. 10 . 790 . 1 1 6 ALA C C 5.947 7.731 9.326 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_6qyt 1
. 10 . 791 . 1 1 6 ALA CA C 5.768 6.637 8.278 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_6qyt 1
. 10 . 792 . 1 1 6 ALA CB C 6.488 5.367 8.735 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_6qyt 1
. 10 . 793 . 1 1 6 ALA H H 7.204 6.816 6.728 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_6qyt 1
. 10 . 794 . 1 1 6 ALA HA H 4.716 6.423 8.173 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_6qyt 1
. 10 . 795 . 1 1 6 ALA HB1 H 5.940 4.918 9.551 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_6qyt 1
. 10 . 796 . 1 1 6 ALA HB2 H 7.485 5.618 9.067 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_6qyt 1
. 10 . 797 . 1 1 6 ALA HB3 H 6.545 4.670 7.913 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_6qyt 1
. 10 . 798 . 1 1 6 ALA N N 6.293 7.069 6.987 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_6qyt 1
. 10 . 799 . 1 1 6 ALA O O 5.187 8.686 9.293 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_6qyt 1
. 10 . 800 . 1 1 6 ALA OXT O 6.841 7.599 10.145 . . . 1.0 . . . . . . . . . . . . A . 6 ALA OXT . . . . . . . . . rr_6qyt 1
. 11 . 801 . 1 1 1 DAL C C 4.460 4.961 3.289 . . . 1.0 . . . . . . . . . . . . A . 1 DAL C . . . . . . . . . rr_6qyt 1
. 11 . 802 . 1 1 1 DAL CA C 4.413 5.600 1.909 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CA . . . . . . . . . rr_6qyt 1
. 11 . 803 . 1 1 1 DAL CB C 4.436 7.124 2.039 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CB . . . . . . . . . rr_6qyt 1
. 11 . 804 . 1 1 1 DAL H2 H 5.615 5.668 0.211 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H2 . . . . . . . . . rr_6qyt 1
. 11 . 805 . 1 1 1 DAL H3 H 5.528 4.135 0.938 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H3 . . . . . . . . . rr_6qyt 1
. 11 . 806 . 1 1 1 DAL HA H 3.508 5.297 1.404 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HA . . . . . . . . . rr_6qyt 1
. 11 . 807 . 1 1 1 DAL HB1 H 3.769 7.553 1.308 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB1 . . . . . . . . . rr_6qyt 1
. 11 . 808 . 1 1 1 DAL HB2 H 5.439 7.481 1.864 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB2 . . . . . . . . . rr_6qyt 1
. 11 . 809 . 1 1 1 DAL N N 5.594 5.156 1.117 . . . 1.0 . . . . . . . . . . . . A . 1 DAL N . . . . . . . . . rr_6qyt 1
. 11 . 810 . 1 1 1 DAL O O 5.483 5.018 3.973 . . . 1.0 . . . . . . . . . . . . A . 1 DAL O . . . . . . . . . rr_6qyt 1
. 11 . 811 . 1 1 2 LEU C C 4.638 3.360 5.517 . . . 1.0 . . . . . . . . . . . . A . 2 LEU C . . . . . . . . . rr_6qyt 1
. 11 . 812 . 1 1 2 LEU CA C 3.251 3.717 4.997 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CA . . . . . . . . . rr_6qyt 1
. 11 . 813 . 1 1 2 LEU CB C 2.403 2.448 4.886 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CB . . . . . . . . . rr_6qyt 1
. 11 . 814 . 1 1 2 LEU CD1 C 2.534 2.285 7.376 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD1 . . . . . . . . . rr_6qyt 1
. 11 . 815 . 1 1 2 LEU CD2 C 0.562 3.383 6.297 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD2 . . . . . . . . . rr_6qyt 1
. 11 . 816 . 1 1 2 LEU CG C 1.593 2.256 6.170 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CG . . . . . . . . . rr_6qyt 1
. 11 . 817 . 1 1 2 LEU H H 2.563 4.365 3.098 . . . 1.0 . . . . . . . . . . . . A . 2 LEU H . . . . . . . . . rr_6qyt 1
. 11 . 818 . 1 1 2 LEU HA H 2.777 4.394 5.692 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HA . . . . . . . . . rr_6qyt 1
. 11 . 819 . 1 1 2 LEU HB2 H 1.728 2.539 4.046 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB2 . . . . . . . . . rr_6qyt 1
. 11 . 820 . 1 1 2 LEU HB3 H 3.048 1.596 4.739 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB3 . . . . . . . . . rr_6qyt 1
. 11 . 821 . 1 1 2 LEU HD11 H 2.077 1.761 8.202 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD11 . . . . . . . . . rr_6qyt 1
. 11 . 822 . 1 1 2 LEU HD12 H 2.722 3.310 7.662 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD12 . . . . . . . . . rr_6qyt 1
. 11 . 823 . 1 1 2 LEU HD13 H 3.466 1.806 7.116 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD13 . . . . . . . . . rr_6qyt 1
. 11 . 824 . 1 1 2 LEU HD21 H -0.425 2.957 6.391 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD21 . . . . . . . . . rr_6qyt 1
. 11 . 825 . 1 1 2 LEU HD22 H 0.600 4.008 5.417 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD22 . . . . . . . . . rr_6qyt 1
. 11 . 826 . 1 1 2 LEU HD23 H 0.783 3.979 7.170 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD23 . . . . . . . . . rr_6qyt 1
. 11 . 827 . 1 1 2 LEU HG H 1.085 1.303 6.134 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HG . . . . . . . . . rr_6qyt 1
. 11 . 828 . 1 1 2 LEU N N 3.342 4.365 3.691 . . . 1.0 . . . . . . . . . . . . A . 2 LEU N . . . . . . . . . rr_6qyt 1
. 11 . 829 . 1 1 2 LEU O O 4.933 3.534 6.700 . . . 1.0 . . . . . . . . . . . . A . 2 LEU O . . . . . . . . . rr_6qyt 1
. 11 . 830 . 1 1 3 SER C C 7.829 3.627 4.812 . . . 1.0 . . . . . . . . . . . . A . 3 SER C . . . . . . . . . rr_6qyt 1
. 11 . 831 . 1 1 3 SER CA C 6.839 2.472 5.003 . . . 1.0 . . . . . . . . . . . . A . 3 SER CA . . . . . . . . . rr_6qyt 1
. 11 . 832 . 1 1 3 SER CB C 7.289 1.277 4.163 . . . 1.0 . . . . . . . . . . . . A . 3 SER CB . . . . . . . . . rr_6qyt 1
. 11 . 833 . 1 1 3 SER H H 5.186 2.734 3.699 . . . 1.0 . . . . . . . . . . . . A . 3 SER H . . . . . . . . . rr_6qyt 1
. 11 . 834 . 1 1 3 SER HA H 6.841 2.183 6.042 . . . 1.0 . . . . . . . . . . . . A . 3 SER HA . . . . . . . . . rr_6qyt 1
. 11 . 835 . 1 1 3 SER HB2 H 7.696 0.515 4.808 . . . 1.0 . . . . . . . . . . . . A . 3 SER HB2 . . . . . . . . . rr_6qyt 1
. 11 . 836 . 1 1 3 SER HB3 H 6.440 0.875 3.627 . . . 1.0 . . . . . . . . . . . . A . 3 SER HB3 . . . . . . . . . rr_6qyt 1
. 11 . 837 . 1 1 3 SER HG H 8.821 2.373 3.677 . . . 1.0 . . . . . . . . . . . . A . 3 SER HG . . . . . . . . . rr_6qyt 1
. 11 . 838 . 1 1 3 SER N N 5.483 2.857 4.626 . . . 1.0 . . . . . . . . . . . . A . 3 SER N . . . . . . . . . rr_6qyt 1
. 11 . 839 . 1 1 3 SER O O 8.752 3.794 5.609 . . . 1.0 . . . . . . . . . . . . A . 3 SER O . . . . . . . . . rr_6qyt 1
. 11 . 840 . 1 1 3 SER OG O 8.292 1.697 3.247 . . . 1.0 . . . . . . . . . . . . A . 3 SER OG . . . . . . . . . rr_6qyt 1
. 11 . 841 . 1 1 4 LEU C C 8.115 6.806 4.172 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . rr_6qyt 1
. 11 . 842 . 1 1 4 LEU CA C 8.559 5.520 3.470 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . rr_6qyt 1
. 11 . 843 . 1 1 4 LEU CB C 8.643 5.762 1.959 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . rr_6qyt 1
. 11 . 844 . 1 1 4 LEU CD1 C 10.535 7.347 2.360 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . rr_6qyt 1
. 11 . 845 . 1 1 4 LEU CD2 C 11.002 4.936 1.898 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . rr_6qyt 1
. 11 . 846 . 1 1 4 LEU CG C 10.081 6.116 1.574 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . rr_6qyt 1
. 11 . 847 . 1 1 4 LEU H H 6.913 4.230 3.130 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . rr_6qyt 1
. 11 . 848 . 1 1 4 LEU HA H 9.542 5.257 3.830 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . rr_6qyt 1
. 11 . 849 . 1 1 4 LEU HB2 H 8.344 4.865 1.435 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . rr_6qyt 1
. 11 . 850 . 1 1 4 LEU HB3 H 7.990 6.575 1.686 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . rr_6qyt 1
. 11 . 851 . 1 1 4 LEU HD11 H 9.770 8.108 2.310 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . rr_6qyt 1
. 11 . 852 . 1 1 4 LEU HD12 H 11.450 7.729 1.934 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . rr_6qyt 1
. 11 . 853 . 1 1 4 LEU HD13 H 10.705 7.075 3.391 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . rr_6qyt 1
. 11 . 854 . 1 1 4 LEU HD21 H 10.408 4.046 2.041 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . rr_6qyt 1
. 11 . 855 . 1 1 4 LEU HD22 H 11.556 5.149 2.800 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . rr_6qyt 1
. 11 . 856 . 1 1 4 LEU HD23 H 11.689 4.782 1.079 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . rr_6qyt 1
. 11 . 857 . 1 1 4 LEU HG H 10.127 6.330 0.516 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . rr_6qyt 1
. 11 . 858 . 1 1 4 LEU N N 7.652 4.409 3.746 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . rr_6qyt 1
. 11 . 859 . 1 1 4 LEU O O 8.946 7.542 4.702 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . rr_6qyt 1
. 11 . 860 . 1 1 5 CYS C C 5.841 7.982 6.241 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . rr_6qyt 1
. 11 . 861 . 1 1 5 CYS CA C 6.306 8.287 4.821 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . rr_6qyt 1
. 11 . 862 . 1 1 5 CYS CB C 5.147 8.881 4.014 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . rr_6qyt 1
. 11 . 863 . 1 1 5 CYS H H 6.183 6.463 3.741 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . rr_6qyt 1
. 11 . 864 . 1 1 5 CYS HA H 7.103 9.014 4.866 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . rr_6qyt 1
. 11 . 865 . 1 1 5 CYS HB2 H 4.700 9.689 4.574 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . rr_6qyt 1
. 11 . 866 . 1 1 5 CYS HB3 H 5.518 9.262 3.075 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . rr_6qyt 1
. 11 . 867 . 1 1 5 CYS N N 6.811 7.077 4.175 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . rr_6qyt 1
. 11 . 868 . 1 1 5 CYS O O 4.681 7.636 6.465 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . rr_6qyt 1
. 11 . 869 . 1 1 5 CYS SG S 3.897 7.606 3.703 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . rr_6qyt 1
. 11 . 870 . 1 1 6 ALA C C 7.075 8.904 9.491 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_6qyt 1
. 11 . 871 . 1 1 6 ALA CA C 6.435 7.851 8.592 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_6qyt 1
. 11 . 872 . 1 1 6 ALA CB C 6.937 6.462 8.991 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_6qyt 1
. 11 . 873 . 1 1 6 ALA H H 7.665 8.393 6.954 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_6qyt 1
. 11 . 874 . 1 1 6 ALA HA H 5.364 7.885 8.719 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_6qyt 1
. 11 . 875 . 1 1 6 ALA HB1 H 7.575 6.543 9.860 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_6qyt 1
. 11 . 876 . 1 1 6 ALA HB2 H 7.497 6.033 8.174 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_6qyt 1
. 11 . 877 . 1 1 6 ALA HB3 H 6.094 5.829 9.222 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_6qyt 1
. 11 . 878 . 1 1 6 ALA N N 6.757 8.114 7.195 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_6qyt 1
. 11 . 879 . 1 1 6 ALA O O 8.196 8.688 9.921 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_6qyt 1
. 11 . 880 . 1 1 6 ALA OXT O 6.435 9.914 9.737 . . . 1.0 . . . . . . . . . . . . A . 6 ALA OXT . . . . . . . . . rr_6qyt 1
. 12 . 881 . 1 1 1 DAL C C 4.488 4.988 3.271 . . . 1.0 . . . . . . . . . . . . A . 1 DAL C . . . . . . . . . rr_6qyt 1
. 12 . 882 . 1 1 1 DAL CA C 4.420 5.581 1.871 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CA . . . . . . . . . rr_6qyt 1
. 12 . 883 . 1 1 1 DAL CB C 4.441 7.108 1.949 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CB . . . . . . . . . rr_6qyt 1
. 12 . 884 . 1 1 1 DAL H2 H 6.290 4.678 1.715 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H2 . . . . . . . . . rr_6qyt 1
. 12 . 885 . 1 1 1 DAL H3 H 6.022 5.917 0.583 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H3 . . . . . . . . . rr_6qyt 1
. 12 . 886 . 1 1 1 DAL HA H 3.508 5.259 1.389 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HA . . . . . . . . . rr_6qyt 1
. 12 . 887 . 1 1 1 DAL HB1 H 3.794 7.511 1.184 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB1 . . . . . . . . . rr_6qyt 1
. 12 . 888 . 1 1 1 DAL HB2 H 5.448 7.459 1.789 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB2 . . . . . . . . . rr_6qyt 1
. 12 . 889 . 1 1 1 DAL N N 5.590 5.111 1.077 . . . 1.0 . . . . . . . . . . . . A . 1 DAL N . . . . . . . . . rr_6qyt 1
. 12 . 890 . 1 1 1 DAL O O 5.528 5.040 3.926 . . . 1.0 . . . . . . . . . . . . A . 1 DAL O . . . . . . . . . rr_6qyt 1
. 12 . 891 . 1 1 2 LEU C C 4.687 3.418 5.528 . . . 1.0 . . . . . . . . . . . . A . 2 LEU C . . . . . . . . . rr_6qyt 1
. 12 . 892 . 1 1 2 LEU CA C 3.297 3.831 5.051 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CA . . . . . . . . . rr_6qyt 1
. 12 . 893 . 1 1 2 LEU CB C 2.379 2.604 5.020 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CB . . . . . . . . . rr_6qyt 1
. 12 . 894 . 1 1 2 LEU CD1 C 1.804 3.071 7.407 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD1 . . . . . . . . . rr_6qyt 1
. 12 . 895 . 1 1 2 LEU CD2 C 0.363 3.971 5.576 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD2 . . . . . . . . . rr_6qyt 1
. 12 . 896 . 1 1 2 LEU CG C 1.233 2.791 6.015 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CG . . . . . . . . . rr_6qyt 1
. 12 . 897 . 1 1 2 LEU H H 2.573 4.430 3.150 . . . 1.0 . . . . . . . . . . . . A . 2 LEU H . . . . . . . . . rr_6qyt 1
. 12 . 898 . 1 1 2 LEU HA H 2.891 4.554 5.742 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HA . . . . . . . . . rr_6qyt 1
. 12 . 899 . 1 1 2 LEU HB2 H 1.976 2.483 4.025 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB2 . . . . . . . . . rr_6qyt 1
. 12 . 900 . 1 1 2 LEU HB3 H 2.944 1.723 5.287 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB3 . . . . . . . . . rr_6qyt 1
. 12 . 901 . 1 1 2 LEU HD11 H 1.759 4.132 7.607 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD11 . . . . . . . . . rr_6qyt 1
. 12 . 902 . 1 1 2 LEU HD12 H 2.831 2.741 7.447 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD12 . . . . . . . . . rr_6qyt 1
. 12 . 903 . 1 1 2 LEU HD13 H 1.225 2.540 8.148 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD13 . . . . . . . . . rr_6qyt 1
. 12 . 904 . 1 1 2 LEU HD21 H -0.571 3.601 5.178 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD21 . . . . . . . . . rr_6qyt 1
. 12 . 905 . 1 1 2 LEU HD22 H 0.880 4.535 4.814 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD22 . . . . . . . . . rr_6qyt 1
. 12 . 906 . 1 1 2 LEU HD23 H 0.165 4.608 6.425 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD23 . . . . . . . . . rr_6qyt 1
. 12 . 907 . 1 1 2 LEU HG H 0.634 1.892 6.048 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HG . . . . . . . . . rr_6qyt 1
. 12 . 908 . 1 1 2 LEU N N 3.368 4.432 3.722 . . . 1.0 . . . . . . . . . . . . A . 2 LEU N . . . . . . . . . rr_6qyt 1
. 12 . 909 . 1 1 2 LEU O O 5.026 3.580 6.701 . . . 1.0 . . . . . . . . . . . . A . 2 LEU O . . . . . . . . . rr_6qyt 1
. 12 . 910 . 1 1 3 SER C C 7.828 3.617 4.811 . . . 1.0 . . . . . . . . . . . . A . 3 SER C . . . . . . . . . rr_6qyt 1
. 12 . 911 . 1 1 3 SER CA C 6.841 2.458 4.943 . . . 1.0 . . . . . . . . . . . . A . 3 SER CA . . . . . . . . . rr_6qyt 1
. 12 . 912 . 1 1 3 SER CB C 7.268 1.315 4.021 . . . 1.0 . . . . . . . . . . . . A . 3 SER CB . . . . . . . . . rr_6qyt 1
. 12 . 913 . 1 1 3 SER H H 5.162 2.784 3.690 . . . 1.0 . . . . . . . . . . . . A . 3 SER H . . . . . . . . . rr_6qyt 1
. 12 . 914 . 1 1 3 SER HA H 6.853 2.103 5.963 . . . 1.0 . . . . . . . . . . . . A . 3 SER HA . . . . . . . . . rr_6qyt 1
. 12 . 915 . 1 1 3 SER HB2 H 7.294 0.393 4.576 . . . 1.0 . . . . . . . . . . . . A . 3 SER HB2 . . . . . . . . . rr_6qyt 1
. 12 . 916 . 1 1 3 SER HB3 H 6.557 1.224 3.211 . . . 1.0 . . . . . . . . . . . . A . 3 SER HB3 . . . . . . . . . rr_6qyt 1
. 12 . 917 . 1 1 3 SER HG H 9.197 1.478 4.218 . . . 1.0 . . . . . . . . . . . . A . 3 SER HG . . . . . . . . . rr_6qyt 1
. 12 . 918 . 1 1 3 SER N N 5.488 2.888 4.609 . . . 1.0 . . . . . . . . . . . . A . 3 SER N . . . . . . . . . rr_6qyt 1
. 12 . 919 . 1 1 3 SER O O 8.699 3.800 5.662 . . . 1.0 . . . . . . . . . . . . A . 3 SER O . . . . . . . . . rr_6qyt 1
. 12 . 920 . 1 1 3 SER OG O 8.563 1.588 3.505 . . . 1.0 . . . . . . . . . . . . A . 3 SER OG . . . . . . . . . rr_6qyt 1
. 12 . 921 . 1 1 4 LEU C C 8.093 6.769 4.244 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . rr_6qyt 1
. 12 . 922 . 1 1 4 LEU CA C 8.586 5.523 3.509 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . rr_6qyt 1
. 12 . 923 . 1 1 4 LEU CB C 8.685 5.816 2.011 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . rr_6qyt 1
. 12 . 924 . 1 1 4 LEU CD1 C 9.062 4.807 -0.244 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . rr_6qyt 1
. 12 . 925 . 1 1 4 LEU CD2 C 10.263 3.898 1.750 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . rr_6qyt 1
. 12 . 926 . 1 1 4 LEU CG C 8.952 4.514 1.254 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . rr_6qyt 1
. 12 . 927 . 1 1 4 LEU H H 6.985 4.199 3.090 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . rr_6qyt 1
. 12 . 928 . 1 1 4 LEU HA H 9.568 5.271 3.878 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . rr_6qyt 1
. 12 . 929 . 1 1 4 LEU HB2 H 7.759 6.251 1.665 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . rr_6qyt 1
. 12 . 930 . 1 1 4 LEU HB3 H 9.496 6.506 1.831 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . rr_6qyt 1
. 12 . 931 . 1 1 4 LEU HD11 H 8.517 4.056 -0.797 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . rr_6qyt 1
. 12 . 932 . 1 1 4 LEU HD12 H 10.100 4.790 -0.539 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . rr_6qyt 1
. 12 . 933 . 1 1 4 LEU HD13 H 8.644 5.781 -0.451 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . rr_6qyt 1
. 12 . 934 . 1 1 4 LEU HD21 H 10.091 3.391 2.688 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . rr_6qyt 1
. 12 . 935 . 1 1 4 LEU HD22 H 10.997 4.679 1.891 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . rr_6qyt 1
. 12 . 936 . 1 1 4 LEU HD23 H 10.627 3.191 1.018 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . rr_6qyt 1
. 12 . 937 . 1 1 4 LEU HG H 8.139 3.824 1.428 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . rr_6qyt 1
. 12 . 938 . 1 1 4 LEU N N 7.692 4.392 3.739 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . rr_6qyt 1
. 12 . 939 . 1 1 4 LEU O O 8.878 7.474 4.877 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . rr_6qyt 1
. 12 . 940 . 1 1 5 CYS C C 5.614 7.810 6.167 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . rr_6qyt 1
. 12 . 941 . 1 1 5 CYS CA C 6.224 8.205 4.826 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . rr_6qyt 1
. 12 . 942 . 1 1 5 CYS CB C 5.152 8.853 3.945 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . rr_6qyt 1
. 12 . 943 . 1 1 5 CYS H H 6.207 6.444 3.642 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . rr_6qyt 1
. 12 . 944 . 1 1 5 CYS HA H 7.010 8.923 4.999 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . rr_6qyt 1
. 12 . 945 . 1 1 5 CYS HB2 H 4.720 9.692 4.469 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . rr_6qyt 1
. 12 . 946 . 1 1 5 CYS HB3 H 5.598 9.198 3.025 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . rr_6qyt 1
. 12 . 947 . 1 1 5 CYS N N 6.792 7.037 4.159 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . rr_6qyt 1
. 12 . 948 . 1 1 5 CYS O O 4.433 8.054 6.418 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . rr_6qyt 1
. 12 . 949 . 1 1 5 CYS SG S 3.851 7.644 3.579 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . rr_6qyt 1
. 12 . 950 . 1 1 6 ALA C C 5.651 7.985 9.214 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_6qyt 1
. 12 . 951 . 1 1 6 ALA CA C 5.957 6.775 8.336 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_6qyt 1
. 12 . 952 . 1 1 6 ALA CB C 7.018 5.907 9.015 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_6qyt 1
. 12 . 953 . 1 1 6 ALA H H 7.357 7.032 6.767 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_6qyt 1
. 12 . 954 . 1 1 6 ALA HA H 5.056 6.193 8.216 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_6qyt 1
. 12 . 955 . 1 1 6 ALA HB1 H 6.543 5.247 9.726 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_6qyt 1
. 12 . 956 . 1 1 6 ALA HB2 H 7.726 6.541 9.529 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_6qyt 1
. 12 . 957 . 1 1 6 ALA HB3 H 7.534 5.322 8.269 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_6qyt 1
. 12 . 958 . 1 1 6 ALA N N 6.426 7.200 7.023 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_6qyt 1
. 12 . 959 . 1 1 6 ALA O O 5.477 7.798 10.406 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_6qyt 1
. 12 . 960 . 1 1 6 ALA OXT O 5.593 9.080 8.678 . . . 1.0 . . . . . . . . . . . . A . 6 ALA OXT . . . . . . . . . rr_6qyt 1
. 13 . 961 . 1 1 1 DAL C C 4.224 5.189 3.336 . . . 1.0 . . . . . . . . . . . . A . 1 DAL C . . . . . . . . . rr_6qyt 1
. 13 . 962 . 1 1 1 DAL CA C 4.189 6.022 2.062 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CA . . . . . . . . . rr_6qyt 1
. 13 . 963 . 1 1 1 DAL CB C 3.544 7.381 2.348 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CB . . . . . . . . . rr_6qyt 1
. 13 . 964 . 1 1 1 DAL H2 H 5.756 5.610 0.754 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H2 . . . . . . . . . rr_6qyt 1
. 13 . 965 . 1 1 1 DAL H3 H 6.253 6.001 2.331 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H3 . . . . . . . . . rr_6qyt 1
. 13 . 966 . 1 1 1 DAL HA H 3.615 5.504 1.307 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HA . . . . . . . . . rr_6qyt 1
. 13 . 967 . 1 1 1 DAL HB1 H 2.915 7.304 3.221 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB1 . . . . . . . . . rr_6qyt 1
. 13 . 968 . 1 1 1 DAL HB2 H 2.946 7.683 1.499 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB2 . . . . . . . . . rr_6qyt 1
. 13 . 969 . 1 1 1 DAL N N 5.581 6.230 1.572 . . . 1.0 . . . . . . . . . . . . A . 1 DAL N . . . . . . . . . rr_6qyt 1
. 13 . 970 . 1 1 1 DAL O O 5.017 5.457 4.237 . . . 1.0 . . . . . . . . . . . . A . 1 DAL O . . . . . . . . . rr_6qyt 1
. 13 . 971 . 1 1 2 LEU C C 4.594 3.373 5.371 . . . 1.0 . . . . . . . . . . . . A . 2 LEU C . . . . . . . . . rr_6qyt 1
. 13 . 972 . 1 1 2 LEU CA C 3.289 3.314 4.576 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CA . . . . . . . . . rr_6qyt 1
. 13 . 973 . 1 1 2 LEU CB C 3.001 1.871 4.146 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CB . . . . . . . . . rr_6qyt 1
. 13 . 974 . 1 1 2 LEU CD1 C 1.192 0.199 3.748 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD1 . . . . . . . . . rr_6qyt 1
. 13 . 975 . 1 1 2 LEU CD2 C 1.240 1.501 5.880 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD2 . . . . . . . . . rr_6qyt 1
. 13 . 976 . 1 1 2 LEU CG C 1.524 1.553 4.377 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CG . . . . . . . . . rr_6qyt 1
. 13 . 977 . 1 1 2 LEU H H 2.749 4.020 2.651 . . . 1.0 . . . . . . . . . . . . A . 2 LEU H . . . . . . . . . rr_6qyt 1
. 13 . 978 . 1 1 2 LEU HA H 2.483 3.653 5.209 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HA . . . . . . . . . rr_6qyt 1
. 13 . 979 . 1 1 2 LEU HB2 H 3.232 1.754 3.097 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB2 . . . . . . . . . rr_6qyt 1
. 13 . 980 . 1 1 2 LEU HB3 H 3.604 1.193 4.729 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB3 . . . . . . . . . rr_6qyt 1
. 13 . 981 . 1 1 2 LEU HD11 H 1.759 -0.575 4.242 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD11 . . . . . . . . . rr_6qyt 1
. 13 . 982 . 1 1 2 LEU HD12 H 1.446 0.217 2.698 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD12 . . . . . . . . . rr_6qyt 1
. 13 . 983 . 1 1 2 LEU HD13 H 0.136 0.000 3.860 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD13 . . . . . . . . . rr_6qyt 1
. 13 . 984 . 1 1 2 LEU HD21 H 0.616 2.337 6.158 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD21 . . . . . . . . . rr_6qyt 1
. 13 . 985 . 1 1 2 LEU HD22 H 2.171 1.550 6.426 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD22 . . . . . . . . . rr_6qyt 1
. 13 . 986 . 1 1 2 LEU HD23 H 0.732 0.577 6.119 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD23 . . . . . . . . . rr_6qyt 1
. 13 . 987 . 1 1 2 LEU HG H 0.916 2.321 3.920 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HG . . . . . . . . . rr_6qyt 1
. 13 . 988 . 1 1 2 LEU N N 3.358 4.180 3.402 . . . 1.0 . . . . . . . . . . . . A . 2 LEU N . . . . . . . . . rr_6qyt 1
. 13 . 989 . 1 1 2 LEU O O 4.648 3.992 6.433 . . . 1.0 . . . . . . . . . . . . A . 2 LEU O . . . . . . . . . rr_6qyt 1
. 13 . 990 . 1 1 3 SER C C 7.896 3.767 4.997 . . . 1.0 . . . . . . . . . . . . A . 3 SER C . . . . . . . . . rr_6qyt 1
. 13 . 991 . 1 1 3 SER CA C 6.925 2.718 5.555 . . . 1.0 . . . . . . . . . . . . A . 3 SER CA . . . . . . . . . rr_6qyt 1
. 13 . 992 . 1 1 3 SER CB C 7.558 1.332 5.436 . . . 1.0 . . . . . . . . . . . . A . 3 SER CB . . . . . . . . . rr_6qyt 1
. 13 . 993 . 1 1 3 SER H H 5.545 2.237 4.016 . . . 1.0 . . . . . . . . . . . . A . 3 SER H . . . . . . . . . rr_6qyt 1
. 13 . 994 . 1 1 3 SER HA H 6.755 2.925 6.601 . . . 1.0 . . . . . . . . . . . . A . 3 SER HA . . . . . . . . . rr_6qyt 1
. 13 . 995 . 1 1 3 SER HB2 H 6.923 0.604 5.911 . . . 1.0 . . . . . . . . . . . . A . 3 SER HB2 . . . . . . . . . rr_6qyt 1
. 13 . 996 . 1 1 3 SER HB3 H 7.671 1.079 4.390 . . . 1.0 . . . . . . . . . . . . A . 3 SER HB3 . . . . . . . . . rr_6qyt 1
. 13 . 997 . 1 1 3 SER HG H 8.711 1.685 6.964 . . . 1.0 . . . . . . . . . . . . A . 3 SER HG . . . . . . . . . rr_6qyt 1
. 13 . 998 . 1 1 3 SER N N 5.640 2.727 4.862 . . . 1.0 . . . . . . . . . . . . A . 3 SER N . . . . . . . . . rr_6qyt 1
. 13 . 999 . 1 1 3 SER O O 8.925 4.044 5.614 . . . 1.0 . . . . . . . . . . . . A . 3 SER O . . . . . . . . . rr_6qyt 1
. 13 . 1000 . 1 1 3 SER OG O 8.827 1.337 6.077 . . . 1.0 . . . . . . . . . . . . A . 3 SER OG . . . . . . . . . rr_6qyt 1
. 13 . 1001 . 1 1 4 LEU C C 8.052 6.757 3.610 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . rr_6qyt 1
. 13 . 1002 . 1 1 4 LEU CA C 8.471 5.337 3.236 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . rr_6qyt 1
. 13 . 1003 . 1 1 4 LEU CB C 8.462 5.188 1.712 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . rr_6qyt 1
. 13 . 1004 . 1 1 4 LEU CD1 C 8.675 2.711 1.392 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . rr_6qyt 1
. 13 . 1005 . 1 1 4 LEU CD2 C 9.848 4.280 -0.156 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . rr_6qyt 1
. 13 . 1006 . 1 1 4 LEU CG C 9.404 4.054 1.289 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . rr_6qyt 1
. 13 . 1007 . 1 1 4 LEU H H 6.765 4.093 3.368 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . rr_6qyt 1
. 13 . 1008 . 1 1 4 LEU HA H 9.475 5.168 3.594 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . rr_6qyt 1
. 13 . 1009 . 1 1 4 LEU HB2 H 7.459 4.963 1.380 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . rr_6qyt 1
. 13 . 1010 . 1 1 4 LEU HB3 H 8.790 6.112 1.260 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . rr_6qyt 1
. 13 . 1011 . 1 1 4 LEU HD11 H 9.277 1.939 0.935 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . rr_6qyt 1
. 13 . 1012 . 1 1 4 LEU HD12 H 7.725 2.777 0.883 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . rr_6qyt 1
. 13 . 1013 . 1 1 4 LEU HD13 H 8.511 2.470 2.431 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . rr_6qyt 1
. 13 . 1014 . 1 1 4 LEU HD21 H 10.477 5.157 -0.206 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . rr_6qyt 1
. 13 . 1015 . 1 1 4 LEU HD22 H 8.980 4.423 -0.782 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . rr_6qyt 1
. 13 . 1016 . 1 1 4 LEU HD23 H 10.403 3.420 -0.502 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . rr_6qyt 1
. 13 . 1017 . 1 1 4 LEU HG H 10.270 4.042 1.933 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . rr_6qyt 1
. 13 . 1018 . 1 1 4 LEU N N 7.586 4.342 3.835 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . rr_6qyt 1
. 13 . 1019 . 1 1 4 LEU O O 8.713 7.722 3.229 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . rr_6qyt 1
. 13 . 1020 . 1 1 5 CYS C C 6.702 8.401 6.270 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . rr_6qyt 1
. 13 . 1021 . 1 1 5 CYS CA C 6.493 8.206 4.772 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . rr_6qyt 1
. 13 . 1022 . 1 1 5 CYS CB C 5.011 8.377 4.428 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . rr_6qyt 1
. 13 . 1023 . 1 1 5 CYS H H 6.470 6.088 4.644 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . rr_6qyt 1
. 13 . 1024 . 1 1 5 CYS HA H 7.060 8.955 4.241 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . rr_6qyt 1
. 13 . 1025 . 1 1 5 CYS HB2 H 4.465 7.499 4.734 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . rr_6qyt 1
. 13 . 1026 . 1 1 5 CYS HB3 H 4.618 9.240 4.943 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . rr_6qyt 1
. 13 . 1027 . 1 1 5 CYS N N 6.962 6.886 4.360 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . rr_6qyt 1
. 13 . 1028 . 1 1 5 CYS O O 5.748 8.613 7.019 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . rr_6qyt 1
. 13 . 1029 . 1 1 5 CYS SG S 4.837 8.616 2.640 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . rr_6qyt 1
. 13 . 1030 . 1 1 6 ALA C C 9.624 9.233 8.254 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_6qyt 1
. 13 . 1031 . 1 1 6 ALA CA C 8.294 8.499 8.106 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_6qyt 1
. 13 . 1032 . 1 1 6 ALA CB C 8.386 7.133 8.790 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_6qyt 1
. 13 . 1033 . 1 1 6 ALA H H 8.677 8.159 6.051 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_6qyt 1
. 13 . 1034 . 1 1 6 ALA HA H 7.518 9.078 8.585 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_6qyt 1
. 13 . 1035 . 1 1 6 ALA HB1 H 9.199 7.140 9.501 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_6qyt 1
. 13 . 1036 . 1 1 6 ALA HB2 H 8.565 6.370 8.047 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_6qyt 1
. 13 . 1037 . 1 1 6 ALA HB3 H 7.459 6.923 9.304 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_6qyt 1
. 13 . 1038 . 1 1 6 ALA N N 7.961 8.331 6.696 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_6qyt 1
. 13 . 1039 . 1 1 6 ALA O O 10.650 8.600 8.067 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_6qyt 1
. 13 . 1040 . 1 1 6 ALA OXT O 9.597 10.416 8.548 . . . 1.0 . . . . . . . . . . . . A . 6 ALA OXT . . . . . . . . . rr_6qyt 1
. 14 . 1041 . 1 1 1 DAL C C 4.445 5.048 3.383 . . . 1.0 . . . . . . . . . . . . A . 1 DAL C . . . . . . . . . rr_6qyt 1
. 14 . 1042 . 1 1 1 DAL CA C 4.436 5.683 1.997 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CA . . . . . . . . . rr_6qyt 1
. 14 . 1043 . 1 1 1 DAL CB C 3.653 6.997 2.032 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CB . . . . . . . . . rr_6qyt 1
. 14 . 1044 . 1 1 1 DAL H2 H 5.886 6.888 1.115 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H2 . . . . . . . . . rr_6qyt 1
. 14 . 1045 . 1 1 1 DAL H3 H 6.136 5.223 0.887 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H3 . . . . . . . . . rr_6qyt 1
. 14 . 1046 . 1 1 1 DAL HA H 3.969 5.007 1.297 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HA . . . . . . . . . rr_6qyt 1
. 14 . 1047 . 1 1 1 DAL HB1 H 2.906 6.948 2.808 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB1 . . . . . . . . . rr_6qyt 1
. 14 . 1048 . 1 1 1 DAL HB2 H 3.172 7.152 1.077 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB2 . . . . . . . . . rr_6qyt 1
. 14 . 1049 . 1 1 1 DAL N N 5.837 5.952 1.566 . . . 1.0 . . . . . . . . . . . . A . 1 DAL N . . . . . . . . . rr_6qyt 1
. 14 . 1050 . 1 1 1 DAL O O 5.433 5.143 4.111 . . . 1.0 . . . . . . . . . . . . A . 1 DAL O . . . . . . . . . rr_6qyt 1
. 14 . 1051 . 1 1 2 LEU C C 4.620 3.328 5.534 . . . 1.0 . . . . . . . . . . . . A . 2 LEU C . . . . . . . . . rr_6qyt 1
. 14 . 1052 . 1 1 2 LEU CA C 3.239 3.752 5.044 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CA . . . . . . . . . rr_6qyt 1
. 14 . 1053 . 1 1 2 LEU CB C 2.330 2.525 4.946 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CB . . . . . . . . . rr_6qyt 1
. 14 . 1054 . 1 1 2 LEU CD1 C 2.034 2.545 7.426 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD1 . . . . . . . . . rr_6qyt 1
. 14 . 1055 . 1 1 2 LEU CD2 C 0.455 3.822 5.970 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD2 . . . . . . . . . rr_6qyt 1
. 14 . 1056 . 1 1 2 LEU CG C 1.305 2.554 6.081 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CG . . . . . . . . . rr_6qyt 1
. 14 . 1057 . 1 1 2 LEU H H 2.586 4.355 3.119 . . . 1.0 . . . . . . . . . . . . A . 2 LEU H . . . . . . . . . rr_6qyt 1
. 14 . 1058 . 1 1 2 LEU HA H 2.814 4.449 5.750 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HA . . . . . . . . . rr_6qyt 1
. 14 . 1059 . 1 1 2 LEU HB2 H 1.815 2.535 3.996 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB2 . . . . . . . . . rr_6qyt 1
. 14 . 1060 . 1 1 2 LEU HB3 H 2.925 1.628 5.024 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB3 . . . . . . . . . rr_6qyt 1
. 14 . 1061 . 1 1 2 LEU HD11 H 1.467 1.965 8.139 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD11 . . . . . . . . . rr_6qyt 1
. 14 . 1062 . 1 1 2 LEU HD12 H 2.137 3.559 7.787 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD12 . . . . . . . . . rr_6qyt 1
. 14 . 1063 . 1 1 2 LEU HD13 H 3.013 2.107 7.302 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD13 . . . . . . . . . rr_6qyt 1
. 14 . 1064 . 1 1 2 LEU HD21 H 0.698 4.493 6.781 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD21 . . . . . . . . . rr_6qyt 1
. 14 . 1065 . 1 1 2 LEU HD22 H -0.591 3.559 6.022 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD22 . . . . . . . . . rr_6qyt 1
. 14 . 1066 . 1 1 2 LEU HD23 H 0.656 4.309 5.027 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD23 . . . . . . . . . rr_6qyt 1
. 14 . 1067 . 1 1 2 LEU HG H 0.669 1.683 6.013 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HG . . . . . . . . . rr_6qyt 1
. 14 . 1068 . 1 1 2 LEU N N 3.342 4.400 3.741 . . . 1.0 . . . . . . . . . . . . A . 2 LEU N . . . . . . . . . rr_6qyt 1
. 14 . 1069 . 1 1 2 LEU O O 4.902 3.359 6.732 . . . 1.0 . . . . . . . . . . . . A . 2 LEU O . . . . . . . . . rr_6qyt 1
. 14 . 1070 . 1 1 3 SER C C 7.816 3.660 4.836 . . . 1.0 . . . . . . . . . . . . A . 3 SER C . . . . . . . . . rr_6qyt 1
. 14 . 1071 . 1 1 3 SER CA C 6.826 2.501 4.937 . . . 1.0 . . . . . . . . . . . . A . 3 SER CA . . . . . . . . . rr_6qyt 1
. 14 . 1072 . 1 1 3 SER CB C 7.263 1.374 4.000 . . . 1.0 . . . . . . . . . . . . A . 3 SER CB . . . . . . . . . rr_6qyt 1
. 14 . 1073 . 1 1 3 SER H H 5.189 2.928 3.659 . . . 1.0 . . . . . . . . . . . . A . 3 SER H . . . . . . . . . rr_6qyt 1
. 14 . 1074 . 1 1 3 SER HA H 6.829 2.128 5.950 . . . 1.0 . . . . . . . . . . . . A . 3 SER HA . . . . . . . . . rr_6qyt 1
. 14 . 1075 . 1 1 3 SER HB2 H 8.162 0.918 4.376 . . . 1.0 . . . . . . . . . . . . A . 3 SER HB2 . . . . . . . . . rr_6qyt 1
. 14 . 1076 . 1 1 3 SER HB3 H 6.480 0.629 3.945 . . . 1.0 . . . . . . . . . . . . A . 3 SER HB3 . . . . . . . . . rr_6qyt 1
. 14 . 1077 . 1 1 3 SER HG H 6.837 1.583 2.113 . . . 1.0 . . . . . . . . . . . . A . 3 SER HG . . . . . . . . . rr_6qyt 1
. 14 . 1078 . 1 1 3 SER N N 5.474 2.932 4.597 . . . 1.0 . . . . . . . . . . . . A . 3 SER N . . . . . . . . . rr_6qyt 1
. 14 . 1079 . 1 1 3 SER O O 8.615 3.884 5.746 . . . 1.0 . . . . . . . . . . . . A . 3 SER O . . . . . . . . . rr_6qyt 1
. 14 . 1080 . 1 1 3 SER OG O 7.515 1.910 2.708 . . . 1.0 . . . . . . . . . . . . A . 3 SER OG . . . . . . . . . rr_6qyt 1
. 14 . 1081 . 1 1 4 LEU C C 8.132 6.775 4.195 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . rr_6qyt 1
. 14 . 1082 . 1 1 4 LEU CA C 8.677 5.517 3.525 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . rr_6qyt 1
. 14 . 1083 . 1 1 4 LEU CB C 8.875 5.769 2.023 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . rr_6qyt 1
. 14 . 1084 . 1 1 4 LEU CD1 C 10.681 6.071 0.320 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . rr_6qyt 1
. 14 . 1085 . 1 1 4 LEU CD2 C 10.219 7.883 1.974 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . rr_6qyt 1
. 14 . 1086 . 1 1 4 LEU CG C 10.265 6.366 1.762 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . rr_6qyt 1
. 14 . 1087 . 1 1 4 LEU H H 7.116 4.170 3.026 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . rr_6qyt 1
. 14 . 1088 . 1 1 4 LEU HA H 9.629 5.272 3.969 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . rr_6qyt 1
. 14 . 1089 . 1 1 4 LEU HB2 H 8.783 4.834 1.489 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . rr_6qyt 1
. 14 . 1090 . 1 1 4 LEU HB3 H 8.121 6.457 1.673 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . rr_6qyt 1
. 14 . 1091 . 1 1 4 LEU HD11 H 11.211 5.132 0.284 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . rr_6qyt 1
. 14 . 1092 . 1 1 4 LEU HD12 H 11.323 6.861 -0.039 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . rr_6qyt 1
. 14 . 1093 . 1 1 4 LEU HD13 H 9.800 6.013 -0.304 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . rr_6qyt 1
. 14 . 1094 . 1 1 4 LEU HD21 H 10.104 8.375 1.019 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . rr_6qyt 1
. 14 . 1095 . 1 1 4 LEU HD22 H 11.138 8.208 2.438 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . rr_6qyt 1
. 14 . 1096 . 1 1 4 LEU HD23 H 9.385 8.133 2.610 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . rr_6qyt 1
. 14 . 1097 . 1 1 4 LEU HG H 10.984 5.927 2.436 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . rr_6qyt 1
. 14 . 1098 . 1 1 4 LEU N N 7.768 4.392 3.724 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . rr_6qyt 1
. 14 . 1099 . 1 1 4 LEU O O 8.885 7.549 4.787 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . rr_6qyt 1
. 14 . 1100 . 1 1 5 CYS C C 6.168 8.026 6.217 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . rr_6qyt 1
. 14 . 1101 . 1 1 5 CYS CA C 6.189 8.144 4.697 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . rr_6qyt 1
. 14 . 1102 . 1 1 5 CYS CB C 4.759 8.283 4.174 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . rr_6qyt 1
. 14 . 1103 . 1 1 5 CYS H H 6.269 6.329 3.613 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . rr_6qyt 1
. 14 . 1104 . 1 1 5 CYS HA H 6.748 9.026 4.422 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . rr_6qyt 1
. 14 . 1105 . 1 1 5 CYS HB2 H 4.180 7.428 4.488 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . rr_6qyt 1
. 14 . 1106 . 1 1 5 CYS HB3 H 4.316 9.184 4.572 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . rr_6qyt 1
. 14 . 1107 . 1 1 5 CYS N N 6.821 6.977 4.098 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . rr_6qyt 1
. 14 . 1108 . 1 1 5 CYS O O 5.467 8.777 6.897 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . rr_6qyt 1
. 14 . 1109 . 1 1 5 CYS SG S 4.787 8.370 2.364 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . rr_6qyt 1
. 14 . 1110 . 1 1 6 ALA C C 7.999 7.830 8.824 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_6qyt 1
. 14 . 1111 . 1 1 6 ALA CA C 6.995 6.875 8.188 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_6qyt 1
. 14 . 1112 . 1 1 6 ALA CB C 7.394 5.430 8.498 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_6qyt 1
. 14 . 1113 . 1 1 6 ALA H H 7.474 6.510 6.156 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_6qyt 1
. 14 . 1114 . 1 1 6 ALA HA H 6.018 7.064 8.608 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_6qyt 1
. 14 . 1115 . 1 1 6 ALA HB1 H 6.927 4.767 7.786 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_6qyt 1
. 14 . 1116 . 1 1 6 ALA HB2 H 7.068 5.173 9.495 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_6qyt 1
. 14 . 1117 . 1 1 6 ALA HB3 H 8.467 5.331 8.432 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_6qyt 1
. 14 . 1118 . 1 1 6 ALA N N 6.937 7.079 6.745 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_6qyt 1
. 14 . 1119 . 1 1 6 ALA O O 8.493 7.514 9.894 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_6qyt 1
. 14 . 1120 . 1 1 6 ALA OXT O 8.261 8.864 8.231 . . . 1.0 . . . . . . . . . . . . A . 6 ALA OXT . . . . . . . . . rr_6qyt 1
. 15 . 1121 . 1 1 1 DAL C C 4.419 5.055 3.383 . . . 1.0 . . . . . . . . . . . . A . 1 DAL C . . . . . . . . . rr_6qyt 1
. 15 . 1122 . 1 1 1 DAL CA C 4.388 5.702 2.003 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CA . . . . . . . . . rr_6qyt 1
. 15 . 1123 . 1 1 1 DAL CB C 4.098 7.198 2.137 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CB . . . . . . . . . rr_6qyt 1
. 15 . 1124 . 1 1 1 DAL H2 H 5.716 6.034 0.435 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H2 . . . . . . . . . rr_6qyt 1
. 15 . 1125 . 1 1 1 DAL H3 H 5.860 4.500 1.152 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H3 . . . . . . . . . rr_6qyt 1
. 15 . 1126 . 1 1 1 DAL HA H 3.615 5.239 1.407 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HA . . . . . . . . . rr_6qyt 1
. 15 . 1127 . 1 1 1 DAL HB1 H 3.651 7.390 3.100 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB1 . . . . . . . . . rr_6qyt 1
. 15 . 1128 . 1 1 1 DAL HB2 H 3.417 7.503 1.356 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB2 . . . . . . . . . rr_6qyt 1
. 15 . 1129 . 1 1 1 DAL N N 5.706 5.512 1.335 . . . 1.0 . . . . . . . . . . . . A . 1 DAL N . . . . . . . . . rr_6qyt 1
. 15 . 1130 . 1 1 1 DAL O O 5.413 5.155 4.103 . . . 1.0 . . . . . . . . . . . . A . 1 DAL O . . . . . . . . . rr_6qyt 1
. 15 . 1131 . 1 1 2 LEU C C 4.619 3.316 5.526 . . . 1.0 . . . . . . . . . . . . A . 2 LEU C . . . . . . . . . rr_6qyt 1
. 15 . 1132 . 1 1 2 LEU CA C 3.234 3.737 5.044 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CA . . . . . . . . . rr_6qyt 1
. 15 . 1133 . 1 1 2 LEU CB C 2.327 2.507 4.943 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CB . . . . . . . . . rr_6qyt 1
. 15 . 1134 . 1 1 2 LEU CD1 C 1.772 2.713 7.371 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD1 . . . . . . . . . rr_6qyt 1
. 15 . 1135 . 1 1 2 LEU CD2 C 0.371 3.885 5.665 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD2 . . . . . . . . . rr_6qyt 1
. 15 . 1136 . 1 1 2 LEU CG C 1.188 2.624 5.959 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CG . . . . . . . . . rr_6qyt 1
. 15 . 1137 . 1 1 2 LEU H H 2.562 4.351 3.131 . . . 1.0 . . . . . . . . . . . . A . 2 LEU H . . . . . . . . . rr_6qyt 1
. 15 . 1138 . 1 1 2 LEU HA H 2.811 4.427 5.757 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HA . . . . . . . . . rr_6qyt 1
. 15 . 1139 . 1 1 2 LEU HB2 H 1.914 2.446 3.946 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB2 . . . . . . . . . rr_6qyt 1
. 15 . 1140 . 1 1 2 LEU HB3 H 2.901 1.616 5.150 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB3 . . . . . . . . . rr_6qyt 1
. 15 . 1141 . 1 1 2 LEU HD11 H 1.529 1.813 7.917 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD11 . . . . . . . . . rr_6qyt 1
. 15 . 1142 . 1 1 2 LEU HD12 H 1.353 3.567 7.882 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD12 . . . . . . . . . rr_6qyt 1
. 15 . 1143 . 1 1 2 LEU HD13 H 2.844 2.819 7.312 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD13 . . . . . . . . . rr_6qyt 1
. 15 . 1144 . 1 1 2 LEU HD21 H 0.546 4.617 6.441 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD21 . . . . . . . . . rr_6qyt 1
. 15 . 1145 . 1 1 2 LEU HD22 H -0.679 3.635 5.637 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD22 . . . . . . . . . rr_6qyt 1
. 15 . 1146 . 1 1 2 LEU HD23 H 0.669 4.294 4.711 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD23 . . . . . . . . . rr_6qyt 1
. 15 . 1147 . 1 1 2 LEU HG H 0.551 1.755 5.888 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HG . . . . . . . . . rr_6qyt 1
. 15 . 1148 . 1 1 2 LEU N N 3.324 4.395 3.746 . . . 1.0 . . . . . . . . . . . . A . 2 LEU N . . . . . . . . . rr_6qyt 1
. 15 . 1149 . 1 1 2 LEU O O 4.903 3.334 6.724 . . . 1.0 . . . . . . . . . . . . A . 2 LEU O . . . . . . . . . rr_6qyt 1
. 15 . 1150 . 1 1 3 SER C C 7.797 3.688 4.869 . . . 1.0 . . . . . . . . . . . . A . 3 SER C . . . . . . . . . rr_6qyt 1
. 15 . 1151 . 1 1 3 SER CA C 6.828 2.512 4.926 . . . 1.0 . . . . . . . . . . . . A . 3 SER CA . . . . . . . . . rr_6qyt 1
. 15 . 1152 . 1 1 3 SER CB C 7.291 1.422 3.959 . . . 1.0 . . . . . . . . . . . . A . 3 SER CB . . . . . . . . . rr_6qyt 1
. 15 . 1153 . 1 1 3 SER H H 5.193 2.942 3.648 . . . 1.0 . . . . . . . . . . . . A . 3 SER H . . . . . . . . . rr_6qyt 1
. 15 . 1154 . 1 1 3 SER HA H 6.826 2.109 5.928 . . . 1.0 . . . . . . . . . . . . A . 3 SER HA . . . . . . . . . rr_6qyt 1
. 15 . 1155 . 1 1 3 SER HB2 H 8.365 1.345 3.988 . . . 1.0 . . . . . . . . . . . . A . 3 SER HB2 . . . . . . . . . rr_6qyt 1
. 15 . 1156 . 1 1 3 SER HB3 H 6.857 0.475 4.252 . . . 1.0 . . . . . . . . . . . . A . 3 SER HB3 . . . . . . . . . rr_6qyt 1
. 15 . 1157 . 1 1 3 SER HG H 7.579 2.281 2.238 . . . 1.0 . . . . . . . . . . . . A . 3 SER HG . . . . . . . . . rr_6qyt 1
. 15 . 1158 . 1 1 3 SER N N 5.476 2.937 4.586 . . . 1.0 . . . . . . . . . . . . A . 3 SER N . . . . . . . . . rr_6qyt 1
. 15 . 1159 . 1 1 3 SER O O 8.506 3.967 5.836 . . . 1.0 . . . . . . . . . . . . A . 3 SER O . . . . . . . . . rr_6qyt 1
. 15 . 1160 . 1 1 3 SER OG O 6.881 1.760 2.641 . . . 1.0 . . . . . . . . . . . . A . 3 SER OG . . . . . . . . . rr_6qyt 1
. 15 . 1161 . 1 1 4 LEU C C 8.147 6.761 4.225 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . rr_6qyt 1
. 15 . 1162 . 1 1 4 LEU CA C 8.724 5.512 3.562 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . rr_6qyt 1
. 15 . 1163 . 1 1 4 LEU CB C 8.964 5.779 2.073 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . rr_6qyt 1
. 15 . 1164 . 1 1 4 LEU CD1 C 11.424 5.349 2.138 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . rr_6qyt 1
. 15 . 1165 . 1 1 4 LEU CD2 C 10.479 6.930 0.452 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . rr_6qyt 1
. 15 . 1166 . 1 1 4 LEU CG C 10.347 6.405 1.884 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . rr_6qyt 1
. 15 . 1167 . 1 1 4 LEU H H 7.246 4.104 2.989 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . rr_6qyt 1
. 15 . 1168 . 1 1 4 LEU HA H 9.670 5.279 4.027 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . rr_6qyt 1
. 15 . 1169 . 1 1 4 LEU HB2 H 8.914 4.847 1.527 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . rr_6qyt 1
. 15 . 1170 . 1 1 4 LEU HB3 H 8.211 6.456 1.700 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . rr_6qyt 1
. 15 . 1171 . 1 1 4 LEU HD11 H 11.037 4.372 1.889 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . rr_6qyt 1
. 15 . 1172 . 1 1 4 LEU HD12 H 11.709 5.369 3.180 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . rr_6qyt 1
. 15 . 1173 . 1 1 4 LEU HD13 H 12.288 5.560 1.524 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . rr_6qyt 1
. 15 . 1174 . 1 1 4 LEU HD21 H 10.961 6.184 -0.162 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . rr_6qyt 1
. 15 . 1175 . 1 1 4 LEU HD22 H 11.072 7.833 0.453 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . rr_6qyt 1
. 15 . 1176 . 1 1 4 LEU HD23 H 9.498 7.144 0.055 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . rr_6qyt 1
. 15 . 1177 . 1 1 4 LEU HG H 10.471 7.220 2.582 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . rr_6qyt 1
. 15 . 1178 . 1 1 4 LEU N N 7.829 4.372 3.729 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . rr_6qyt 1
. 15 . 1179 . 1 1 4 LEU O O 8.872 7.521 4.867 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . rr_6qyt 1
. 15 . 1180 . 1 1 5 CYS C C 5.119 7.703 5.658 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . rr_6qyt 1
. 15 . 1181 . 1 1 5 CYS CA C 6.193 8.134 4.665 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . rr_6qyt 1
. 15 . 1182 . 1 1 5 CYS CB C 5.570 9.004 3.571 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . rr_6qyt 1
. 15 . 1183 . 1 1 5 CYS H H 6.307 6.334 3.552 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . rr_6qyt 1
. 15 . 1184 . 1 1 5 CYS HA H 6.937 8.717 5.188 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . rr_6qyt 1
. 15 . 1185 . 1 1 5 CYS HB2 H 4.542 9.218 3.821 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . rr_6qyt 1
. 15 . 1186 . 1 1 5 CYS HB3 H 6.119 9.931 3.495 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . rr_6qyt 1
. 15 . 1187 . 1 1 5 CYS N N 6.842 6.971 4.070 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . rr_6qyt 1
. 15 . 1188 . 1 1 5 CYS O O 3.941 7.613 5.312 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . rr_6qyt 1
. 15 . 1189 . 1 1 5 CYS SG S 5.646 8.128 1.986 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . rr_6qyt 1
. 15 . 1190 . 1 1 6 ALA C C 4.245 8.189 8.840 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_6qyt 1
. 15 . 1191 . 1 1 6 ALA CA C 4.597 7.017 7.929 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_6qyt 1
. 15 . 1192 . 1 1 6 ALA CB C 5.210 5.888 8.759 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_6qyt 1
. 15 . 1193 . 1 1 6 ALA H H 6.484 7.527 7.111 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_6qyt 1
. 15 . 1194 . 1 1 6 ALA HA H 3.695 6.654 7.460 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_6qyt 1
. 15 . 1195 . 1 1 6 ALA HB1 H 4.491 5.546 9.488 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_6qyt 1
. 15 . 1196 . 1 1 6 ALA HB2 H 6.092 6.253 9.266 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_6qyt 1
. 15 . 1197 . 1 1 6 ALA HB3 H 5.482 5.070 8.109 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_6qyt 1
. 15 . 1198 . 1 1 6 ALA N N 5.533 7.438 6.893 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_6qyt 1
. 15 . 1199 . 1 1 6 ALA O O 4.566 8.117 10.015 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_6qyt 1
. 15 . 1200 . 1 1 6 ALA OXT O 3.661 9.141 8.349 . . . 1.0 . . . . . . . . . . . . A . 6 ALA OXT . . . . . . . . . rr_6qyt 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_6qyt
_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 6qyt.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_6qyt 1
1 6qyt.mr . . XPLOR/CNS 2 distance NOE simple 24 rr_6qyt 1
1 6qyt.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 5 rr_6qyt 1
1 6qyt.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_6qyt 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_6qyt
_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: '6qyt'" . . . . distance "general distance" . 24 rr_6qyt 1
2 "From CCPN project: '6qyt'" . . . . "dihedral angle" "Not applicable" . 5 rr_6qyt 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 6qyt.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_6qyt 1
1 6qyt.mr . . XPLOR/CNS 2 distance NOE simple 24 rr_6qyt 1
1 6qyt.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 5 rr_6qyt 1
1 6qyt.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_6qyt 1
stop_
save_
save_CNS/XPLOR_distance_constraints_2
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_2
_Gen_dist_constraint_list.Entry_ID rr_6qyt
_Gen_dist_constraint_list.ID 1
_Gen_dist_constraint_list.Constraint_type NOE
_Gen_dist_constraint_list.Details "Generated by Wattos"
_Gen_dist_constraint_list.Constraint_file_ID 1
_Gen_dist_constraint_list.Block_ID 2
loop_
_Gen_dist_constraint_software.Software_ID
_Gen_dist_constraint_software.Software_label
_Gen_dist_constraint_software.Method_ID
_Gen_dist_constraint_software.Method_label
_Gen_dist_constraint_software.Entry_ID
_Gen_dist_constraint_software.Gen_dist_constraint_list_ID
. . . . rr_6qyt 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 4 4 LEU HA H . . . 1 1 5 5 CYS H H . . . . . 3.1 2.5 3.7 . . . . . A . 4 LEU HA . . A . 5 CYS H . . . 4 . HA . . . . . 5 . HN . . rr_6qyt 1
2 1 . . 1 1 4 4 LEU H H . . . 1 1 3 3 SER HA H . . . . . 3.5 2.8 4.2 . . . . . A . 4 LEU H . . A . 3 SER HA . . . 4 . HN . . . . . 3 . HA . . rr_6qyt 1
3 1 . . 1 1 3 3 SER H H . . . 1 1 2 2 LEU HA H . . . . . 3.7 3.0 4.4 . . . . . A . 3 SER H . . A . 2 LEU HA . . . 3 . HN . . . . . 2 . HA . . rr_6qyt 1
4 1 . . 1 1 3 3 SER H H . . . 1 1 2 2 LEU H H . . . . . 3.6 2.9 4.3 . . . . . A . 3 SER H . . A . 2 LEU H . . . 3 . HN . . . . . 2 . HN . . rr_6qyt 1
5 1 . . 1 1 4 4 LEU H H . . . 1 1 3 3 SER H H . . . . . 3.0 2.4 3.6 . . . . . A . 4 LEU H . . A . 3 SER H . . . 4 . HN . . . . . 3 . HN . . rr_6qyt 1
6 1 . . 1 1 5 5 CYS H H . . . 1 1 4 4 LEU H H . . . . . 3.0 2.4 3.6 . . . . . A . 5 CYS H . . A . 4 LEU H . . . 5 . HN . . . . . 4 . HN . . rr_6qyt 1
7 1 . . 1 1 3 3 SER H H . . . 1 1 2 2 LEU HB3 H . . . . . 3.0 2.4 3.6 . . . . . A . 3 SER H . . A . 2 LEU HB3 . . . 3 . HN . . . . . 2 . HB1 . . rr_6qyt 1
8 1 . . 1 1 3 3 SER H H . . . 1 1 2 2 LEU HB2 H . . . . . 3.2 2.6 3.8 . . . . . A . 3 SER H . . A . 2 LEU HB2 . . . 3 . HN . . . . . 2 . HB2 . . rr_6qyt 1
9 1 . . 1 1 2 2 LEU H H . . . 1 1 1 1 DAL HB1 H . . . . . 3.2 2.6 3.8 . . . . . A . 2 LEU H . . A . 1 DAL HB1 . . . 2 . HN . . . . . 1 . HB1 . . rr_6qyt 1
10 1 . . 1 1 4 4 LEU H H . . . 1 1 3 3 SER HB2 H . . . . . 3.7 3.0 4.4 . . . . . A . 4 LEU H . . A . 3 SER HB2 . . . 4 . HN . . . . . 3 . HB2 . . rr_6qyt 1
11 1 . . 1 1 4 4 LEU H H . . . 1 1 3 3 SER HA H . . . . . 3.6 2.9 4.3 . . . . . A . 4 LEU H . . A . 3 SER HA . . . 4 . HN . . . . . 3 . HA . . rr_6qyt 1
12 1 . . 1 1 3 3 SER H H . . . 1 1 2 2 LEU MD1 H . . . . . 4.3 3.4 5.2 . . . . . A . 3 SER H . . A . 2 LEU MD1 . . . 3 . HN . . . . . 2 . HD1# . . rr_6qyt 1
13 1 . . 1 1 3 3 SER H H . . . 1 1 2 2 LEU HB2 H . . . . . 3.0 2.4 3.6 . . . . . A . 3 SER H . . A . 2 LEU HB2 . . . 3 . HN . . . . . 2 . HB2 . . rr_6qyt 1
14 1 . . 1 1 3 3 SER H H . . . 1 1 2 2 LEU HB3 H . . . . . 2.9 2.3 3.5 . . . . . A . 3 SER H . . A . 2 LEU HB3 . . . 3 . HN . . . . . 2 . HB1 . . rr_6qyt 1
15 1 OR . 1 1 5 5 CYS H H . . . 1 1 4 4 LEU HB2 H . . . . . 3.9 3.1 4.7 . . . . . A . 5 CYS H . . A . 4 LEU HB2 . . . 5 . HN . . . . . 4 . HB# . . rr_6qyt 1
15 2 OR . 1 1 5 5 CYS H H . . . 1 1 4 4 LEU HB3 H . . . . . 3.9 3.1 4.7 . . . . . A . 5 CYS H . . A . 4 LEU HB3 . . . 5 . HN . . . . . 4 . HB# . . rr_6qyt 1
16 1 . . 1 1 2 2 LEU H H . . . 1 1 1 1 DAL H1 H . . . . . 4.0 3.2 4.8 . . . . . A . 2 LEU H . . A . 1 DAL H1 . . . 2 . HN . . . . . 1 . HT# . . rr_6qyt 1
17 1 . . 1 1 4 4 LEU H H . . . 1 1 3 3 SER H H . . . . . 3.0 2.4 3.6 . . . . . A . 4 LEU H . . A . 3 SER H . . . 4 . HN . . . . . 3 . HN . . rr_6qyt 1
18 1 . . 1 1 5 5 CYS H H . . . 1 1 4 4 LEU H H . . . . . 3.0 2.4 3.6 . . . . . A . 5 CYS H . . A . 4 LEU H . . . 5 . HN . . . . . 4 . HN . . rr_6qyt 1
19 1 . . 1 1 3 3 SER HA H . . . 1 1 2 2 LEU HB3 H . . . . . 4.4 3.5 5.3 . . . . . A . 3 SER HA . . A . 2 LEU HB3 . . . 3 . HA . . . . . 2 . HB1 . . rr_6qyt 1
20 1 . . 1 1 5 5 CYS H H . . . 1 1 3 3 SER H H . . . . . 3.3 2.6 4.0 . . . . . A . 5 CYS H . . A . 3 SER H . . . 5 . HN . . . . . 3 . HN . . rr_6qyt 1
21 1 . . 1 1 4 4 LEU H H . . . 1 1 1 1 DAL HB1 H . . . . . 4.2 3.4 5.0 . . . . . A . 4 LEU H . . A . 1 DAL HB1 . . . 4 . HN . . . . . 1 . HB1 . . rr_6qyt 1
22 1 . . 1 1 5 5 CYS H H . . . 1 1 2 2 LEU H H . . . . . 4.4 3.5 5.3 . . . . . A . 5 CYS H . . A . 2 LEU H . . . 5 . HN . . . . . 2 . HN . . rr_6qyt 1
23 1 . . 1 1 3 3 SER HA H . . . 1 1 6 6 ALA MB H . . . . . 4.2 3.4 5.0 . . . . . A . 3 SER HA . . A . 6 ALA MB . . . 3 . HA . . . . . 6 . HB# . . rr_6qyt 1
24 1 OR . 1 1 1 1 DAL HA H . . . 1 1 4 4 LEU HB2 H . . . . . 4.4 3.5 5.3 . . . . . A . 1 DAL HA . . A . 4 LEU HB2 . . . 1 . HA . . . . . 4 . HB# . . rr_6qyt 1
24 2 OR . 1 1 4 4 LEU HB3 H . . . 1 1 1 1 DAL HA H . . . . . 4.4 3.5 5.3 . . . . . A . 4 LEU HB3 . . A . 1 DAL HA . . . 4 . HB# . . . . . 1 . HA . . rr_6qyt 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_6qyt 1
2
;Interresidue
i-i+1
;
5 1 6 7 rr_6qyt 1
3 i-i+2 26 1 26 7 rr_6qyt 1
4 i-i+3 28 1 28 7 rr_6qyt 1
5
;echo=true
wrnlev=5
;
33 1 35 16 rr_6qyt 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 1: noe_nointra.tbl" 1 1 1 36 rr_6qyt 1
stop_
save_
save_CNS/XPLOR_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_2_1
_Distance_constraint_list.Entry_ID rr_6qyt
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Details "Generated by Wattos"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 2
loop_
_Distance_constraint_software.Software_ID
_Distance_constraint_software.Software_label
_Distance_constraint_software.Method_ID
_Distance_constraint_software.Method_label
_Distance_constraint_software.Entry_ID
_Distance_constraint_software.Distance_constraint_list_ID
. . . . rr_6qyt 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_6qyt 1
2 1 . . . rr_6qyt 1
3 1 . . . rr_6qyt 1
4 1 . . . rr_6qyt 1
5 1 . . . rr_6qyt 1
6 1 . . . rr_6qyt 1
7 1 . . . rr_6qyt 1
8 1 . . . rr_6qyt 1
9 1 . . . rr_6qyt 1
10 1 . . . rr_6qyt 1
11 1 . . . rr_6qyt 1
12 1 . . . rr_6qyt 1
13 1 . . . rr_6qyt 1
14 1 . . . rr_6qyt 1
15 1 2 . OR rr_6qyt 1
15 2 . 3 . rr_6qyt 1
15 3 . . . rr_6qyt 1
16 1 . . . rr_6qyt 1
17 1 . . . rr_6qyt 1
18 1 . . . rr_6qyt 1
19 1 . . . rr_6qyt 1
20 1 . . . rr_6qyt 1
21 1 . . . rr_6qyt 1
22 1 . . . rr_6qyt 1
23 1 . . . rr_6qyt 1
24 1 2 . OR rr_6qyt 1
24 2 . 3 . rr_6qyt 1
24 3 . . . rr_6qyt 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 4 4 LEU HA H . . . . 4 . HA rr_6qyt 1
1 1 . 2 . 1 1 5 5 CYS H H . . . . 5 . HN rr_6qyt 1
2 1 . 1 . 1 1 4 4 LEU H H . . . . 4 . HN rr_6qyt 1
2 1 . 2 . 1 1 3 3 SER HA H . . . . 3 . HA rr_6qyt 1
3 1 . 1 . 1 1 3 3 SER H H . . . . 3 . HN rr_6qyt 1
3 1 . 2 . 1 1 2 2 LEU HA H . . . . 2 . HA rr_6qyt 1
4 1 . 1 . 1 1 2 2 LEU H H . . . . 2 . HN rr_6qyt 1
4 1 . 2 . 1 1 3 3 SER H H . . . . 3 . HN rr_6qyt 1
5 1 . 1 . 1 1 4 4 LEU H H . . . . 4 . HN rr_6qyt 1
5 1 . 2 . 1 1 3 3 SER H H . . . . 3 . HN rr_6qyt 1
6 1 . 1 . 1 1 4 4 LEU H H . . . . 4 . HN rr_6qyt 1
6 1 . 2 . 1 1 5 5 CYS H H . . . . 5 . HN rr_6qyt 1
7 1 . 1 . 1 1 2 2 LEU HB3 H . . . . 2 . HB1 rr_6qyt 1
7 1 . 2 . 1 1 3 3 SER H H . . . . 3 . HN rr_6qyt 1
8 1 . 1 . 1 1 2 2 LEU HB2 H . . . . 2 . HB2 rr_6qyt 1
8 1 . 2 . 1 1 3 3 SER H H . . . . 3 . HN rr_6qyt 1
9 1 . 1 . 1 1 2 2 LEU H H . . . . 2 . HN rr_6qyt 1
9 1 . 2 . 1 1 1 1 DAL HB1 H . . . . 1 . HB1 rr_6qyt 1
10 1 . 1 . 1 1 4 4 LEU H H . . . . 4 . HN rr_6qyt 1
10 1 . 2 . 1 1 3 3 SER HB2 H . . . . 3 . HB2 rr_6qyt 1
11 1 . 1 . 1 1 4 4 LEU H H . . . . 4 . HN rr_6qyt 1
11 1 . 2 . 1 1 3 3 SER HA H . . . . 3 . HA rr_6qyt 1
12 1 . 1 . 1 1 2 2 LEU MD1 H . . . . 2 . HD1# rr_6qyt 1
12 1 . 2 . 1 1 3 3 SER H H . . . . 3 . HN rr_6qyt 1
13 1 . 1 . 1 1 2 2 LEU HB2 H . . . . 2 . HB2 rr_6qyt 1
13 1 . 2 . 1 1 3 3 SER H H . . . . 3 . HN rr_6qyt 1
14 1 . 1 . 1 1 2 2 LEU HB3 H . . . . 2 . HB1 rr_6qyt 1
14 1 . 2 . 1 1 3 3 SER H H . . . . 3 . HN rr_6qyt 1
15 2 . 1 . 1 1 4 4 LEU HB2 H . . . . 4 . HB# rr_6qyt 1
15 2 . 2 . 1 1 5 5 CYS H H . . . . 5 . HN rr_6qyt 1
15 3 . 1 . 1 1 4 4 LEU HB3 H . . . . 4 . HB# rr_6qyt 1
15 3 . 2 . 1 1 5 5 CYS H H . . . . 5 . HN rr_6qyt 1
16 1 . 1 . 1 1 2 2 LEU H H . . . . 2 . HN rr_6qyt 1
16 1 . 2 . 1 1 1 1 DAL H1 H . . . . 1 . HT# rr_6qyt 1
17 1 . 1 . 1 1 4 4 LEU H H . . . . 4 . HN rr_6qyt 1
17 1 . 2 . 1 1 3 3 SER H H . . . . 3 . HN rr_6qyt 1
18 1 . 1 . 1 1 4 4 LEU H H . . . . 4 . HN rr_6qyt 1
18 1 . 2 . 1 1 5 5 CYS H H . . . . 5 . HN rr_6qyt 1
19 1 . 1 . 1 1 2 2 LEU HB3 H . . . . 2 . HB1 rr_6qyt 1
19 1 . 2 . 1 1 3 3 SER HA H . . . . 3 . HA rr_6qyt 1
20 1 . 1 . 1 1 5 5 CYS H H . . . . 5 . HN rr_6qyt 1
20 1 . 2 . 1 1 3 3 SER H H . . . . 3 . HN rr_6qyt 1
21 1 . 1 . 1 1 1 1 DAL HB1 H . . . . 1 . HB1 rr_6qyt 1
21 1 . 2 . 1 1 4 4 LEU H H . . . . 4 . HN rr_6qyt 1
22 1 . 1 . 1 1 2 2 LEU H H . . . . 2 . HN rr_6qyt 1
22 1 . 2 . 1 1 5 5 CYS H H . . . . 5 . HN rr_6qyt 1
23 1 . 1 . 1 1 6 6 ALA MB H . . . . 6 . HB# rr_6qyt 1
23 1 . 2 . 1 1 3 3 SER HA H . . . . 3 . HA rr_6qyt 1
24 2 . 1 . 1 1 4 4 LEU HB2 H . . . . 4 . HB# rr_6qyt 1
24 2 . 2 . 1 1 1 1 DAL HA H . . . . 1 . HA rr_6qyt 1
24 3 . 1 . 1 1 4 4 LEU HB3 H . . . . 4 . HB# rr_6qyt 1
24 3 . 2 . 1 1 1 1 DAL HA H . . . . 1 . HA rr_6qyt 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 . . . . . . 3.1 2.5 3.7 rr_6qyt 1
2 1 . . . . . . 3.5 2.8 4.2 rr_6qyt 1
3 1 . . . . . . 3.7 3.0 4.4 rr_6qyt 1
4 1 . . . . . . 3.6 2.9 4.3 rr_6qyt 1
5 1 . . . . . . 3.0 2.4 3.6 rr_6qyt 1
6 1 . . . . . . 3.0 2.4 3.6 rr_6qyt 1
7 1 . . . . . . 3.0 2.4 3.6 rr_6qyt 1
8 1 . . . . . . 3.2 2.6 3.8 rr_6qyt 1
9 1 . . . . . . 3.2 2.6 3.8 rr_6qyt 1
10 1 . . . . . . 3.7 3.0 4.4 rr_6qyt 1
11 1 . . . . . . 3.6 2.9 4.3 rr_6qyt 1
12 1 . . . . . . 4.3 3.4 5.2 rr_6qyt 1
13 1 . . . . . . 3.0 2.4 3.6 rr_6qyt 1
14 1 . . . . . . 2.9 2.3 3.5 rr_6qyt 1
15 2 . . . . . . 3.9 3.1 4.7 rr_6qyt 1
15 3 . . . . . . 3.9 3.1 4.7 rr_6qyt 1
16 1 . . . . . . 4.0 3.2 4.8 rr_6qyt 1
17 1 . . . . . . 3.0 2.4 3.6 rr_6qyt 1
18 1 . . . . . . 3.0 2.4 3.6 rr_6qyt 1
19 1 . . . . . . 4.4 3.5 5.3 rr_6qyt 1
20 1 . . . . . . 3.3 2.6 4.0 rr_6qyt 1
21 1 . . . . . . 4.2 3.4 5.0 rr_6qyt 1
22 1 . . . . . . 4.4 3.5 5.3 rr_6qyt 1
23 1 . . . . . . 4.2 3.4 5.0 rr_6qyt 1
24 2 . . . . . . 4.4 3.5 5.3 rr_6qyt 1
24 3 . . . . . . 4.4 3.5 5.3 rr_6qyt 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_6qyt 1
2
;Interresidue
i-i+1
;
5 1 6 7 rr_6qyt 1
3 i-i+2 26 1 26 7 rr_6qyt 1
4 i-i+3 28 1 28 7 rr_6qyt 1
5
;echo=true
wrnlev=5
;
33 1 35 16 rr_6qyt 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 1: noe_nointra.tbl" 1 1 1 36 rr_6qyt 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Sf_framecode CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Entry_ID rr_6qyt
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Details "Generated by Wattos"
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 3
loop_
_Torsion_angle_constraint_software.Software_ID
_Torsion_angle_constraint_software.Software_label
_Torsion_angle_constraint_software.Method_ID
_Torsion_angle_constraint_software.Method_label
_Torsion_angle_constraint_software.Entry_ID
_Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID
. . . . rr_6qyt 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 1 1 DAL C C . . 1 1 2 2 LEU N N . . 1 1 2 2 LEU CA C . . 1 1 2 2 LEU C C . -142.2 -22.2 . . . A . 1 DAL C . . A . 2 LEU N . . A . 2 LEU CA . . A . 2 LEU C . . . 1 . C . . . . . 2 . N . . . . . 2 . CA . . . . . 2 . C . . rr_6qyt 1
2 . . 1 1 2 2 LEU C C . . 1 1 3 3 SER N N . . 1 1 3 3 SER CA C . . 1 1 3 3 SER C C . -142.2 -22.2 . . . A . 2 LEU C . . A . 3 SER N . . A . 3 SER CA . . A . 3 SER C . . . 2 . C . . . . . 3 . N . . . . . 3 . CA . . . . . 3 . C . . rr_6qyt 1
3 . . 1 1 3 3 SER C C . . 1 1 4 4 LEU N N . . 1 1 4 4 LEU CA C . . 1 1 4 4 LEU C C . -150.8 -30.8 . . . A . 3 SER C . . A . 4 LEU N . . A . 4 LEU CA . . A . 4 LEU C . . . 3 . C . . . . . 4 . N . . . . . 4 . CA . . . . . 4 . C . . rr_6qyt 1
4 . . 1 1 4 4 LEU C C . . 1 1 5 5 CYS N N . . 1 1 5 5 CYS CA C . . 1 1 5 5 CYS C C . -118.2 1.8 . . . A . 4 LEU C . . A . 5 CYS N . . A . 5 CYS CA . . A . 5 CYS C . . . 4 . C . . . . . 5 . N . . . . . 5 . CA . . . . . 5 . C . . rr_6qyt 1
5 . . 1 1 5 5 CYS C C . . 1 1 6 6 ALA N N . . 1 1 6 6 ALA CA C . . 1 1 6 6 ALA C C . -146.3 -26.3 . . . A . 5 CYS C . . A . 6 ALA N . . A . 6 ALA CA . . A . 6 ALA C . . . 5 . C . . . . . 6 . N . . . . . 6 . CA . . . . . 6 . C . . rr_6qyt 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 3 1 3 5 rr_6qyt 1
2
;phi
calc
;
10 1 11 6 rr_6qyt 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 2: dihe_nopred.tbl" 1 1 1 36 rr_6qyt 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_6qyt
_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 6QYT *TITLE SOLUTION NMR OF SYNTHETIC ANALOGUES OF NISIN AND MUTACIN RING A AND *TITLE 2 RING B - MUTACIN I RING A TRUNCATED ANALOGUE *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: DAL-LEU-SER-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 6QYT 0"
save_
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