NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
639084 |
6mk8   |
30524 | cing | 3-converted-DOCR | STAR | entry | full | 93 |
data_DOCR_restraints_with_modified_coordinates_PDB_code_6mk8
# This DOCR archive file contains, for PDB entry <6mk8>:
#
# - 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_6mk8
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 6mk8"
_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 6mk8"
_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 6mk8 "Master copy" rr_6mk8
stop_
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_6mk8
_Assembly.ID 1
_Assembly.Name 6mk8
_Assembly.Number_of_components 1
_Assembly.Organic_ligands 0
_Assembly.Metal_ions 0
_Assembly.Non_standard_bonds no
_Assembly.Paramagnetic no
_Assembly.Thiol_state "not present"
_Assembly.Molecular_mass 1340.7514
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 "Anti Staphylococcal peptide DFT503" 1 $Anti_Staphylococcal_peptide_DFT503 A . no . . . . . . rr_6mk8 1
stop_
save_
save_Anti_Staphylococcal_peptide_DFT503
_Entity.Sf_category entity
_Entity.Sf_framecode Anti_Staphylococcal_peptide_DFT503
_Entity.Entry_ID rr_6mk8
_Entity.ID 1
_Entity.Name Anti_Staphylococcal_peptide_DFT503
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code GLSLLLSLGLKLLX
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer yes
_Entity.Nstd_chirality yes
_Entity.Nstd_linkage yes
_Entity.Number_of_monomers 14
_Entity.Paramagnetic no
_Entity.Thiol_state "not present"
_Entity.Parent_entity_ID 1
_Entity.Formula_weight 1340.7514
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 . GLY . rr_6mk8 1
2 . LEU . rr_6mk8 1
3 . SER . rr_6mk8 1
4 . LEU . rr_6mk8 1
5 . LEU . rr_6mk8 1
6 . LEU . rr_6mk8 1
7 . SER . rr_6mk8 1
8 . LEU . rr_6mk8 1
9 . GLY . rr_6mk8 1
10 . LEU . rr_6mk8 1
11 . LYS . rr_6mk8 1
12 . LEU . rr_6mk8 1
13 . LEU . rr_6mk8 1
14 . NH2 . rr_6mk8 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
. GLY 1 1 rr_6mk8 1
. LEU 2 2 rr_6mk8 1
. SER 3 3 rr_6mk8 1
. LEU 4 4 rr_6mk8 1
. LEU 5 5 rr_6mk8 1
. LEU 6 6 rr_6mk8 1
. SER 7 7 rr_6mk8 1
. LEU 8 8 rr_6mk8 1
. GLY 9 9 rr_6mk8 1
. LEU 10 10 rr_6mk8 1
. LYS 11 11 rr_6mk8 1
. LEU 12 12 rr_6mk8 1
. LEU 13 13 rr_6mk8 1
. NH2 14 14 rr_6mk8 1
stop_
save_
save_chem_comp_NH2
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_NH2
_Chem_comp.Entry_ID rr_6mk8
_Chem_comp.ID NH2
_Chem_comp.Name "AMINO GROUP"
_Chem_comp.Type non-polymer
_Chem_comp.PDB_code NH2
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "H2 N"
_Chem_comp.Formula_weight 16.0225
save_
save_conformer_statistics
_Conformer_stat_list.Sf_category conformer_statistics
_Conformer_stat_list.Sf_framecode conformer_statistics
_Conformer_stat_list.Entry_ID rr_6mk8
_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 5
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_6mk8
_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_6mk8 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_6mk8 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 GLY C C -9.702 0.067 0.757 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . rr_6mk8 1
. 1 . 2 . 1 1 1 GLY CA C -10.896 0.912 0.331 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . rr_6mk8 1
. 1 . 3 . 1 1 1 GLY H1 H -11.573 2.832 0.773 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . rr_6mk8 1
. 1 . 4 . 1 1 1 GLY H2 H -10.088 2.436 1.497 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . rr_6mk8 1
. 1 . 5 . 1 1 1 GLY H3 H -11.533 1.787 2.109 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . rr_6mk8 1
. 1 . 6 . 1 1 1 GLY HA2 H -11.796 0.315 0.372 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . rr_6mk8 1
. 1 . 7 . 1 1 1 GLY HA3 H -10.744 1.262 -0.679 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . rr_6mk8 1
. 1 . 8 . 1 1 1 GLY N N -11.033 2.080 1.247 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . rr_6mk8 1
. 1 . 9 . 1 1 1 GLY O O -8.688 0.594 1.215 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . rr_6mk8 1
. 1 . 10 . 1 1 2 LEU C C -7.566 -1.996 0.022 . . . 1.0 . . . . . . . . . . . . A . 2 LEU C . . . . . . . . . rr_6mk8 1
. 1 . 11 . 1 1 2 LEU CA C -8.749 -2.156 0.974 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CA . . . . . . . . . rr_6mk8 1
. 1 . 12 . 1 1 2 LEU CB C -9.248 -3.608 0.944 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CB . . . . . . . . . rr_6mk8 1
. 1 . 13 . 1 1 2 LEU CD1 C -10.234 -5.189 -0.733 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD1 . . . . . . . . . rr_6mk8 1
. 1 . 14 . 1 1 2 LEU CD2 C -11.704 -3.537 0.431 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD2 . . . . . . . . . rr_6mk8 1
. 1 . 15 . 1 1 2 LEU CG C -10.307 -3.772 -0.157 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CG . . . . . . . . . rr_6mk8 1
. 1 . 16 . 1 1 2 LEU H H -10.658 -1.610 0.230 . . . 1.0 . . . . . . . . . . . . A . 2 LEU H . . . . . . . . . rr_6mk8 1
. 1 . 17 . 1 1 2 LEU HA H -8.424 -1.920 1.975 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HA . . . . . . . . . rr_6mk8 1
. 1 . 18 . 1 1 2 LEU HB2 H -8.415 -4.269 0.748 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB2 . . . . . . . . . rr_6mk8 1
. 1 . 19 . 1 1 2 LEU HB3 H -9.682 -3.857 1.901 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB3 . . . . . . . . . rr_6mk8 1
. 1 . 20 . 1 1 2 LEU HD11 H -11.021 -5.323 -1.461 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD11 . . . . . . . . . rr_6mk8 1
. 1 . 21 . 1 1 2 LEU HD12 H -10.355 -5.909 0.063 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD12 . . . . . . . . . rr_6mk8 1
. 1 . 22 . 1 1 2 LEU HD13 H -9.276 -5.336 -1.209 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD13 . . . . . . . . . rr_6mk8 1
. 1 . 23 . 1 1 2 LEU HD21 H -11.670 -2.714 1.129 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD21 . . . . . . . . . rr_6mk8 1
. 1 . 24 . 1 1 2 LEU HD22 H -12.035 -4.429 0.944 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD22 . . . . . . . . . rr_6mk8 1
. 1 . 25 . 1 1 2 LEU HD23 H -12.395 -3.304 -0.366 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD23 . . . . . . . . . rr_6mk8 1
. 1 . 26 . 1 1 2 LEU HG H -10.122 -3.057 -0.946 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HG . . . . . . . . . rr_6mk8 1
. 1 . 27 . 1 1 2 LEU N N -9.828 -1.247 0.602 . . . 1.0 . . . . . . . . . . . . A . 2 LEU N . . . . . . . . . rr_6mk8 1
. 1 . 28 . 1 1 2 LEU O O -6.450 -2.405 0.332 . . . 1.0 . . . . . . . . . . . . A . 2 LEU O . . . . . . . . . rr_6mk8 1
. 1 . 29 . 1 1 3 SER C C -5.803 -0.107 -1.680 . . . 1.0 . . . . . . . . . . . . A . 3 SER C . . . . . . . . . rr_6mk8 1
. 1 . 30 . 1 1 3 SER CA C -6.774 -1.196 -2.131 . . . 1.0 . . . . . . . . . . . . A . 3 SER CA . . . . . . . . . rr_6mk8 1
. 1 . 31 . 1 1 3 SER CB C -7.397 -0.802 -3.470 . . . 1.0 . . . . . . . . . . . . A . 3 SER CB . . . . . . . . . rr_6mk8 1
. 1 . 32 . 1 1 3 SER H H -8.735 -1.101 -1.332 . . . 1.0 . . . . . . . . . . . . A . 3 SER H . . . . . . . . . rr_6mk8 1
. 1 . 33 . 1 1 3 SER HA H -6.229 -2.117 -2.261 . . . 1.0 . . . . . . . . . . . . A . 3 SER HA . . . . . . . . . rr_6mk8 1
. 1 . 34 . 1 1 3 SER HB2 H -6.620 -0.532 -4.166 . . . 1.0 . . . . . . . . . . . . A . 3 SER HB2 . . . . . . . . . rr_6mk8 1
. 1 . 35 . 1 1 3 SER HB3 H -7.956 -1.639 -3.866 . . . 1.0 . . . . . . . . . . . . A . 3 SER HB3 . . . . . . . . . rr_6mk8 1
. 1 . 36 . 1 1 3 SER HG H -7.722 1.108 -3.284 . . . 1.0 . . . . . . . . . . . . A . 3 SER HG . . . . . . . . . rr_6mk8 1
. 1 . 37 . 1 1 3 SER N N -7.823 -1.404 -1.138 . . . 1.0 . . . . . . . . . . . . A . 3 SER N . . . . . . . . . rr_6mk8 1
. 1 . 38 . 1 1 3 SER O O -4.629 -0.116 -2.049 . . . 1.0 . . . . . . . . . . . . A . 3 SER O . . . . . . . . . rr_6mk8 1
. 1 . 39 . 1 1 3 SER OG O -8.259 0.312 -3.278 . . . 1.0 . . . . . . . . . . . . A . 3 SER OG . . . . . . . . . rr_6mk8 1
. 1 . 40 . 1 1 4 LEU C C -4.232 1.446 0.304 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . rr_6mk8 1
. 1 . 41 . 1 1 4 LEU CA C -5.484 1.946 -0.415 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . rr_6mk8 1
. 1 . 42 . 1 1 4 LEU CB C -6.302 2.822 0.539 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . rr_6mk8 1
. 1 . 43 . 1 1 4 LEU CD1 C -6.079 5.154 -0.359 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . rr_6mk8 1
. 1 . 44 . 1 1 4 LEU CD2 C -5.960 4.750 2.102 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . rr_6mk8 1
. 1 . 45 . 1 1 4 LEU CG C -5.609 4.180 0.724 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . rr_6mk8 1
. 1 . 46 . 1 1 4 LEU H H -7.253 0.802 -0.647 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . rr_6mk8 1
. 1 . 47 . 1 1 4 LEU HA H -5.182 2.545 -1.259 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . rr_6mk8 1
. 1 . 48 . 1 1 4 LEU HB2 H -7.290 2.971 0.130 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . rr_6mk8 1
. 1 . 49 . 1 1 4 LEU HB3 H -6.382 2.327 1.496 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . rr_6mk8 1
. 1 . 50 . 1 1 4 LEU HD11 H -5.410 6.000 -0.399 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . rr_6mk8 1
. 1 . 51 . 1 1 4 LEU HD12 H -7.077 5.496 -0.127 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . rr_6mk8 1
. 1 . 52 . 1 1 4 LEU HD13 H -6.085 4.655 -1.317 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . rr_6mk8 1
. 1 . 53 . 1 1 4 LEU HD21 H -5.468 4.169 2.868 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . rr_6mk8 1
. 1 . 54 . 1 1 4 LEU HD22 H -7.028 4.708 2.247 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . rr_6mk8 1
. 1 . 55 . 1 1 4 LEU HD23 H -5.628 5.776 2.161 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . rr_6mk8 1
. 1 . 56 . 1 1 4 LEU HG H -4.538 4.051 0.650 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . rr_6mk8 1
. 1 . 57 . 1 1 4 LEU N N -6.307 0.840 -0.897 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . rr_6mk8 1
. 1 . 58 . 1 1 4 LEU O O -3.139 1.974 0.097 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . rr_6mk8 1
. 1 . 59 . 1 1 5 LEU C C -2.166 -0.599 0.970 . . . 1.0 . . . . . . . . . . . . A . 5 LEU C . . . . . . . . . rr_6mk8 1
. 1 . 60 . 1 1 5 LEU CA C -3.259 -0.095 1.908 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CA . . . . . . . . . rr_6mk8 1
. 1 . 61 . 1 1 5 LEU CB C -3.721 -1.229 2.832 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CB . . . . . . . . . rr_6mk8 1
. 1 . 62 . 1 1 5 LEU CD1 C -2.976 -3.494 2.023 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD1 . . . . . . . . . rr_6mk8 1
. 1 . 63 . 1 1 5 LEU CD2 C -5.367 -3.112 2.626 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD2 . . . . . . . . . rr_6mk8 1
. 1 . 64 . 1 1 5 LEU CG C -4.118 -2.470 2.013 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CG . . . . . . . . . rr_6mk8 1
. 1 . 65 . 1 1 5 LEU H H -5.286 0.061 1.297 . . . 1.0 . . . . . . . . . . . . A . 5 LEU H . . . . . . . . . rr_6mk8 1
. 1 . 66 . 1 1 5 LEU HA H -2.848 0.695 2.518 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HA . . . . . . . . . rr_6mk8 1
. 1 . 67 . 1 1 5 LEU HB2 H -2.920 -1.482 3.509 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB2 . . . . . . . . . rr_6mk8 1
. 1 . 68 . 1 1 5 LEU HB3 H -4.572 -0.890 3.402 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB3 . . . . . . . . . rr_6mk8 1
. 1 . 69 . 1 1 5 LEU HD11 H -2.713 -3.729 3.044 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD11 . . . . . . . . . rr_6mk8 1
. 1 . 70 . 1 1 5 LEU HD12 H -2.117 -3.085 1.515 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD12 . . . . . . . . . rr_6mk8 1
. 1 . 71 . 1 1 5 LEU HD13 H -3.298 -4.394 1.521 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD13 . . . . . . . . . rr_6mk8 1
. 1 . 72 . 1 1 5 LEU HD21 H -6.170 -2.391 2.648 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD21 . . . . . . . . . rr_6mk8 1
. 1 . 73 . 1 1 5 LEU HD22 H -5.147 -3.436 3.633 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD22 . . . . . . . . . rr_6mk8 1
. 1 . 74 . 1 1 5 LEU HD23 H -5.662 -3.964 2.032 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD23 . . . . . . . . . rr_6mk8 1
. 1 . 75 . 1 1 5 LEU HG H -4.328 -2.181 0.996 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HG . . . . . . . . . rr_6mk8 1
. 1 . 76 . 1 1 5 LEU N N -4.392 0.440 1.160 . . . 1.0 . . . . . . . . . . . . A . 5 LEU N . . . . . . . . . rr_6mk8 1
. 1 . 77 . 1 1 5 LEU O O -0.978 -0.412 1.230 . . . 1.0 . . . . . . . . . . . . A . 5 LEU O . . . . . . . . . rr_6mk8 1
. 1 . 78 . 1 1 6 LEU C C -0.759 -0.636 -1.660 . . . 1.0 . . . . . . . . . . . . A . 6 LEU C . . . . . . . . . rr_6mk8 1
. 1 . 79 . 1 1 6 LEU CA C -1.613 -1.764 -1.085 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CA . . . . . . . . . rr_6mk8 1
. 1 . 80 . 1 1 6 LEU CB C -2.349 -2.487 -2.221 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CB . . . . . . . . . rr_6mk8 1
. 1 . 81 . 1 1 6 LEU CD1 C -3.923 -4.409 -2.559 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD1 . . . . . . . . . rr_6mk8 1
. 1 . 82 . 1 1 6 LEU CD2 C -1.509 -4.849 -2.095 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD2 . . . . . . . . . rr_6mk8 1
. 1 . 83 . 1 1 6 LEU CG C -2.692 -3.922 -1.791 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CG . . . . . . . . . rr_6mk8 1
. 1 . 84 . 1 1 6 LEU H H -3.531 -1.360 -0.274 . . . 1.0 . . . . . . . . . . . . A . 6 LEU H . . . . . . . . . rr_6mk8 1
. 1 . 85 . 1 1 6 LEU HA H -0.965 -2.468 -0.584 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HA . . . . . . . . . rr_6mk8 1
. 1 . 86 . 1 1 6 LEU HB2 H -3.260 -1.954 -2.452 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB2 . . . . . . . . . rr_6mk8 1
. 1 . 87 . 1 1 6 LEU HB3 H -1.720 -2.517 -3.099 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB3 . . . . . . . . . rr_6mk8 1
. 1 . 88 . 1 1 6 LEU HD11 H -4.004 -5.482 -2.466 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD11 . . . . . . . . . rr_6mk8 1
. 1 . 89 . 1 1 6 LEU HD12 H -3.825 -4.145 -3.602 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD12 . . . . . . . . . rr_6mk8 1
. 1 . 90 . 1 1 6 LEU HD13 H -4.808 -3.945 -2.151 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD13 . . . . . . . . . rr_6mk8 1
. 1 . 91 . 1 1 6 LEU HD21 H -0.644 -4.527 -1.535 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD21 . . . . . . . . . rr_6mk8 1
. 1 . 92 . 1 1 6 LEU HD22 H -1.287 -4.814 -3.152 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD22 . . . . . . . . . rr_6mk8 1
. 1 . 93 . 1 1 6 LEU HD23 H -1.763 -5.860 -1.814 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD23 . . . . . . . . . rr_6mk8 1
. 1 . 94 . 1 1 6 LEU HG H -2.902 -3.940 -0.731 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HG . . . . . . . . . rr_6mk8 1
. 1 . 95 . 1 1 6 LEU N N -2.572 -1.238 -0.119 . . . 1.0 . . . . . . . . . . . . A . 6 LEU N . . . . . . . . . rr_6mk8 1
. 1 . 96 . 1 1 6 LEU O O 0.444 -0.799 -1.861 . . . 1.0 . . . . . . . . . . . . A . 6 LEU O . . . . . . . . . rr_6mk8 1
. 1 . 97 . 1 1 7 SER C C 0.558 1.963 -1.627 . . . 1.0 . . . . . . . . . . . . A . 7 SER C . . . . . . . . . rr_6mk8 1
. 1 . 98 . 1 1 7 SER CA C -0.669 1.648 -2.473 . . . 1.0 . . . . . . . . . . . . A . 7 SER CA . . . . . . . . . rr_6mk8 1
. 1 . 99 . 1 1 7 SER CB C -1.585 2.870 -2.525 . . . 1.0 . . . . . . . . . . . . A . 7 SER CB . . . . . . . . . rr_6mk8 1
. 1 . 100 . 1 1 7 SER H H -2.348 0.579 -1.743 . . . 1.0 . . . . . . . . . . . . A . 7 SER H . . . . . . . . . rr_6mk8 1
. 1 . 101 . 1 1 7 SER HA H -0.347 1.408 -3.475 . . . 1.0 . . . . . . . . . . . . A . 7 SER HA . . . . . . . . . rr_6mk8 1
. 1 . 102 . 1 1 7 SER HB2 H -1.704 3.277 -1.535 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB2 . . . . . . . . . rr_6mk8 1
. 1 . 103 . 1 1 7 SER HB3 H -1.145 3.621 -3.169 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB3 . . . . . . . . . rr_6mk8 1
. 1 . 104 . 1 1 7 SER HG H -3.236 3.236 -3.487 . . . 1.0 . . . . . . . . . . . . A . 7 SER HG . . . . . . . . . rr_6mk8 1
. 1 . 105 . 1 1 7 SER N N -1.387 0.505 -1.922 . . . 1.0 . . . . . . . . . . . . A . 7 SER N . . . . . . . . . rr_6mk8 1
. 1 . 106 . 1 1 7 SER O O 1.645 2.189 -2.155 . . . 1.0 . . . . . . . . . . . . A . 7 SER O . . . . . . . . . rr_6mk8 1
. 1 . 107 . 1 1 7 SER OG O -2.857 2.483 -3.027 . . . 1.0 . . . . . . . . . . . . A . 7 SER OG . . . . . . . . . rr_6mk8 1
. 1 . 108 . 1 1 8 LEU C C 2.421 1.041 0.654 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . rr_6mk8 1
. 1 . 109 . 1 1 8 LEU CA C 1.487 2.245 0.592 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . rr_6mk8 1
. 1 . 110 . 1 1 8 LEU CB C 0.956 2.558 1.994 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . rr_6mk8 1
. 1 . 111 . 1 1 8 LEU CD1 C -0.768 3.825 3.282 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . rr_6mk8 1
. 1 . 112 . 1 1 8 LEU CD2 C 0.023 4.683 1.073 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . rr_6mk8 1
. 1 . 113 . 1 1 8 LEU CG C -0.298 3.424 1.882 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . rr_6mk8 1
. 1 . 114 . 1 1 8 LEU H H -0.507 1.775 0.055 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . rr_6mk8 1
. 1 . 115 . 1 1 8 LEU HA H 2.037 3.098 0.226 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . rr_6mk8 1
. 1 . 116 . 1 1 8 LEU HB2 H 0.713 1.636 2.502 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . rr_6mk8 1
. 1 . 117 . 1 1 8 LEU HB3 H 1.710 3.090 2.553 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . rr_6mk8 1
. 1 . 118 . 1 1 8 LEU HD11 H 0.062 4.239 3.835 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . rr_6mk8 1
. 1 . 119 . 1 1 8 LEU HD12 H -1.148 2.955 3.796 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . rr_6mk8 1
. 1 . 120 . 1 1 8 LEU HD13 H -1.551 4.564 3.200 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . rr_6mk8 1
. 1 . 121 . 1 1 8 LEU HD21 H 0.108 4.427 0.027 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . rr_6mk8 1
. 1 . 122 . 1 1 8 LEU HD22 H 0.955 5.105 1.418 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . rr_6mk8 1
. 1 . 123 . 1 1 8 LEU HD23 H -0.769 5.407 1.202 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . rr_6mk8 1
. 1 . 124 . 1 1 8 LEU HG H -1.079 2.864 1.387 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . rr_6mk8 1
. 1 . 125 . 1 1 8 LEU N N 0.381 1.967 -0.312 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . rr_6mk8 1
. 1 . 126 . 1 1 8 LEU O O 3.618 1.178 0.899 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . rr_6mk8 1
. 1 . 127 . 1 1 9 GLY C C 3.799 -1.325 -0.516 . . . 1.0 . . . . . . . . . . . . A . 9 GLY C . . . . . . . . . rr_6mk8 1
. 1 . 128 . 1 1 9 GLY CA C 2.630 -1.373 0.464 . . . 1.0 . . . . . . . . . . . . A . 9 GLY CA . . . . . . . . . rr_6mk8 1
. 1 . 129 . 1 1 9 GLY H H 0.897 -0.182 0.242 . . . 1.0 . . . . . . . . . . . . A . 9 GLY H . . . . . . . . . rr_6mk8 1
. 1 . 130 . 1 1 9 GLY HA2 H 3.013 -1.522 1.463 . . . 1.0 . . . . . . . . . . . . A . 9 GLY HA2 . . . . . . . . . rr_6mk8 1
. 1 . 131 . 1 1 9 GLY HA3 H 1.988 -2.200 0.203 . . . 1.0 . . . . . . . . . . . . A . 9 GLY HA3 . . . . . . . . . rr_6mk8 1
. 1 . 132 . 1 1 9 GLY N N 1.856 -0.139 0.430 . . . 1.0 . . . . . . . . . . . . A . 9 GLY N . . . . . . . . . rr_6mk8 1
. 1 . 133 . 1 1 9 GLY O O 4.896 -1.788 -0.203 . . . 1.0 . . . . . . . . . . . . A . 9 GLY O . . . . . . . . . rr_6mk8 1
. 1 . 134 . 1 1 10 LEU C C 5.611 0.417 -2.363 . . . 1.0 . . . . . . . . . . . . A . 10 LEU C . . . . . . . . . rr_6mk8 1
. 1 . 135 . 1 1 10 LEU CA C 4.625 -0.695 -2.706 . . . 1.0 . . . . . . . . . . . . A . 10 LEU CA . . . . . . . . . rr_6mk8 1
. 1 . 136 . 1 1 10 LEU CB C 4.027 -0.468 -4.102 . . . 1.0 . . . . . . . . . . . . A . 10 LEU CB . . . . . . . . . rr_6mk8 1
. 1 . 137 . 1 1 10 LEU CD1 C 4.664 1.777 -5.040 . . . 1.0 . . . . . . . . . . . . A . 10 LEU CD1 . . . . . . . . . rr_6mk8 1
. 1 . 138 . 1 1 10 LEU CD2 C 2.273 1.059 -5.047 . . . 1.0 . . . . . . . . . . . . A . 10 LEU CD2 . . . . . . . . . rr_6mk8 1
. 1 . 139 . 1 1 10 LEU CG C 3.592 0.999 -4.269 . . . 1.0 . . . . . . . . . . . . A . 10 LEU CG . . . . . . . . . rr_6mk8 1
. 1 . 140 . 1 1 10 LEU H H 2.671 -0.423 -1.914 . . . 1.0 . . . . . . . . . . . . A . 10 LEU H . . . . . . . . . rr_6mk8 1
. 1 . 141 . 1 1 10 LEU HA H 5.160 -1.632 -2.709 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HA . . . . . . . . . rr_6mk8 1
. 1 . 142 . 1 1 10 LEU HB2 H 4.769 -0.713 -4.850 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HB2 . . . . . . . . . rr_6mk8 1
. 1 . 143 . 1 1 10 LEU HB3 H 3.170 -1.113 -4.228 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HB3 . . . . . . . . . rr_6mk8 1
. 1 . 144 . 1 1 10 LEU HD11 H 4.524 2.836 -4.883 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HD11 . . . . . . . . . rr_6mk8 1
. 1 . 145 . 1 1 10 LEU HD12 H 4.580 1.556 -6.095 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HD12 . . . . . . . . . rr_6mk8 1
. 1 . 146 . 1 1 10 LEU HD13 H 5.644 1.488 -4.690 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HD13 . . . . . . . . . rr_6mk8 1
. 1 . 147 . 1 1 10 LEU HD21 H 2.416 0.640 -6.032 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HD21 . . . . . . . . . rr_6mk8 1
. 1 . 148 . 1 1 10 LEU HD22 H 1.953 2.087 -5.135 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HD22 . . . . . . . . . rr_6mk8 1
. 1 . 149 . 1 1 10 LEU HD23 H 1.518 0.491 -4.521 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HD23 . . . . . . . . . rr_6mk8 1
. 1 . 150 . 1 1 10 LEU HG H 3.456 1.450 -3.297 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HG . . . . . . . . . rr_6mk8 1
. 1 . 151 . 1 1 10 LEU N N 3.565 -0.775 -1.705 . . . 1.0 . . . . . . . . . . . . A . 10 LEU N . . . . . . . . . rr_6mk8 1
. 1 . 152 . 1 1 10 LEU O O 6.773 0.372 -2.765 . . . 1.0 . . . . . . . . . . . . A . 10 LEU O . . . . . . . . . rr_6mk8 1
. 1 . 153 . 1 1 11 LYS C C 7.086 2.021 -0.265 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . rr_6mk8 1
. 1 . 154 . 1 1 11 LYS CA C 6.006 2.515 -1.220 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . rr_6mk8 1
. 1 . 155 . 1 1 11 LYS CB C 5.177 3.620 -0.552 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . rr_6mk8 1
. 1 . 156 . 1 1 11 LYS CD C 6.269 4.358 1.600 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . rr_6mk8 1
. 1 . 157 . 1 1 11 LYS CE C 7.637 4.848 2.087 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . rr_6mk8 1
. 1 . 158 . 1 1 11 LYS CG C 6.109 4.658 0.100 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . rr_6mk8 1
. 1 . 159 . 1 1 11 LYS H H 4.212 1.392 -1.316 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . rr_6mk8 1
. 1 . 160 . 1 1 11 LYS HA H 6.480 2.920 -2.103 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . rr_6mk8 1
. 1 . 161 . 1 1 11 LYS HB2 H 4.566 4.107 -1.300 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . rr_6mk8 1
. 1 . 162 . 1 1 11 LYS HB3 H 4.539 3.185 0.202 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . rr_6mk8 1
. 1 . 163 . 1 1 11 LYS HD2 H 5.490 4.865 2.151 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . rr_6mk8 1
. 1 . 164 . 1 1 11 LYS HD3 H 6.192 3.294 1.769 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . rr_6mk8 1
. 1 . 165 . 1 1 11 LYS HE2 H 7.909 5.750 1.558 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . rr_6mk8 1
. 1 . 166 . 1 1 11 LYS HE3 H 7.591 5.052 3.146 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . rr_6mk8 1
. 1 . 167 . 1 1 11 LYS HG2 H 7.077 4.625 -0.380 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . rr_6mk8 1
. 1 . 168 . 1 1 11 LYS HG3 H 5.686 5.644 -0.022 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . rr_6mk8 1
. 1 . 169 . 1 1 11 LYS HZ1 H 8.265 3.076 1.191 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . rr_6mk8 1
. 1 . 170 . 1 1 11 LYS HZ2 H 8.932 3.349 2.730 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ2 . . . . . . . . . rr_6mk8 1
. 1 . 171 . 1 1 11 LYS HZ3 H 9.498 4.224 1.389 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ3 . . . . . . . . . rr_6mk8 1
. 1 . 172 . 1 1 11 LYS N N 5.145 1.409 -1.613 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . rr_6mk8 1
. 1 . 173 . 1 1 11 LYS NZ N 8.661 3.795 1.830 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . rr_6mk8 1
. 1 . 174 . 1 1 11 LYS O O 8.181 2.580 -0.206 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . rr_6mk8 1
. 1 . 175 . 1 1 12 LEU C C 8.973 -0.079 0.704 . . . 1.0 . . . . . . . . . . . . A . 12 LEU C . . . . . . . . . rr_6mk8 1
. 1 . 176 . 1 1 12 LEU CA C 7.721 0.405 1.432 . . . 1.0 . . . . . . . . . . . . A . 12 LEU CA . . . . . . . . . rr_6mk8 1
. 1 . 177 . 1 1 12 LEU CB C 7.071 -0.768 2.185 . . . 1.0 . . . . . . . . . . . . A . 12 LEU CB . . . . . . . . . rr_6mk8 1
. 1 . 178 . 1 1 12 LEU CD1 C 7.624 -0.140 4.558 . . . 1.0 . . . . . . . . . . . . A . 12 LEU CD1 . . . . . . . . . rr_6mk8 1
. 1 . 179 . 1 1 12 LEU CD2 C 5.754 1.034 3.371 . . . 1.0 . . . . . . . . . . . . A . 12 LEU CD2 . . . . . . . . . rr_6mk8 1
. 1 . 180 . 1 1 12 LEU CG C 6.495 -0.302 3.534 . . . 1.0 . . . . . . . . . . . . A . 12 LEU CG . . . . . . . . . rr_6mk8 1
. 1 . 181 . 1 1 12 LEU H H 5.879 0.557 0.390 . . . 1.0 . . . . . . . . . . . . A . 12 LEU H . . . . . . . . . rr_6mk8 1
. 1 . 182 . 1 1 12 LEU HA H 8.005 1.167 2.138 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HA . . . . . . . . . rr_6mk8 1
. 1 . 183 . 1 1 12 LEU HB2 H 6.273 -1.174 1.583 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HB2 . . . . . . . . . rr_6mk8 1
. 1 . 184 . 1 1 12 LEU HB3 H 7.808 -1.537 2.359 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HB3 . . . . . . . . . rr_6mk8 1
. 1 . 185 . 1 1 12 LEU HD11 H 8.308 -0.971 4.480 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD11 . . . . . . . . . rr_6mk8 1
. 1 . 186 . 1 1 12 LEU HD12 H 7.205 -0.114 5.554 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD12 . . . . . . . . . rr_6mk8 1
. 1 . 187 . 1 1 12 LEU HD13 H 8.155 0.782 4.369 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD13 . . . . . . . . . rr_6mk8 1
. 1 . 188 . 1 1 12 LEU HD21 H 6.423 1.852 3.590 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD21 . . . . . . . . . rr_6mk8 1
. 1 . 189 . 1 1 12 LEU HD22 H 4.917 1.065 4.052 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD22 . . . . . . . . . rr_6mk8 1
. 1 . 190 . 1 1 12 LEU HD23 H 5.391 1.126 2.358 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD23 . . . . . . . . . rr_6mk8 1
. 1 . 191 . 1 1 12 LEU HG H 5.801 -1.050 3.891 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HG . . . . . . . . . rr_6mk8 1
. 1 . 192 . 1 1 12 LEU N N 6.769 0.966 0.481 . . . 1.0 . . . . . . . . . . . . A . 12 LEU N . . . . . . . . . rr_6mk8 1
. 1 . 193 . 1 1 12 LEU O O 10.086 0.344 1.015 . . . 1.0 . . . . . . . . . . . . A . 12 LEU O . . . . . . . . . rr_6mk8 1
. 1 . 194 . 1 1 13 LEU C C 9.402 -2.481 -2.094 . . . 1.0 . . . . . . . . . . . . A . 13 LEU C . . . . . . . . . rr_6mk8 1
. 1 . 195 . 1 1 13 LEU CA C 9.899 -1.500 -1.037 . . . 1.0 . . . . . . . . . . . . A . 13 LEU CA . . . . . . . . . rr_6mk8 1
. 1 . 196 . 1 1 13 LEU CB C 10.889 -2.210 -0.105 . . . 1.0 . . . . . . . . . . . . A . 13 LEU CB . . . . . . . . . rr_6mk8 1
. 1 . 197 . 1 1 13 LEU CD1 C 10.644 -4.586 0.679 . . . 1.0 . . . . . . . . . . . . A . 13 LEU CD1 . . . . . . . . . rr_6mk8 1
. 1 . 198 . 1 1 13 LEU CD2 C 10.361 -2.713 2.302 . . . 1.0 . . . . . . . . . . . . A . 13 LEU CD2 . . . . . . . . . rr_6mk8 1
. 1 . 199 . 1 1 13 LEU CG C 10.133 -3.154 0.852 . . . 1.0 . . . . . . . . . . . . A . 13 LEU CG . . . . . . . . . rr_6mk8 1
. 1 . 200 . 1 1 13 LEU H H 7.869 -1.264 -0.472 . . . 1.0 . . . . . . . . . . . . A . 13 LEU H . . . . . . . . . rr_6mk8 1
. 1 . 201 . 1 1 13 LEU HA H 10.408 -0.684 -1.527 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HA . . . . . . . . . rr_6mk8 1
. 1 . 202 . 1 1 13 LEU HB2 H 11.588 -2.781 -0.701 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HB2 . . . . . . . . . rr_6mk8 1
. 1 . 203 . 1 1 13 LEU HB3 H 11.431 -1.473 0.467 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HB3 . . . . . . . . . rr_6mk8 1
. 1 . 204 . 1 1 13 LEU HD11 H 11.713 -4.607 0.822 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HD11 . . . . . . . . . rr_6mk8 1
. 1 . 205 . 1 1 13 LEU HD12 H 10.407 -4.935 -0.316 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HD12 . . . . . . . . . rr_6mk8 1
. 1 . 206 . 1 1 13 LEU HD13 H 10.169 -5.227 1.407 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HD13 . . . . . . . . . rr_6mk8 1
. 1 . 207 . 1 1 13 LEU HD21 H 9.711 -3.276 2.955 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HD21 . . . . . . . . . rr_6mk8 1
. 1 . 208 . 1 1 13 LEU HD22 H 10.144 -1.660 2.398 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HD22 . . . . . . . . . rr_6mk8 1
. 1 . 209 . 1 1 13 LEU HD23 H 11.390 -2.893 2.575 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HD23 . . . . . . . . . rr_6mk8 1
. 1 . 210 . 1 1 13 LEU HG H 9.075 -3.126 0.630 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HG . . . . . . . . . rr_6mk8 1
. 1 . 211 . 1 1 13 LEU N N 8.780 -0.966 -0.268 . . . 1.0 . . . . . . . . . . . . A . 13 LEU N . . . . . . . . . rr_6mk8 1
. 1 . 212 . 1 1 13 LEU O O 10.100 -3.433 -2.441 . . . 1.0 . . . . . . . . . . . . A . 13 LEU O . . . . . . . . . rr_6mk8 1
. 1 . 213 . 1 1 14 NH2 HN1 H 7.899 -2.928 -3.311 . . . 1.0 . . . . . . . . . . . . A . 14 NH2 HN1 . . . . . . . . . rr_6mk8 1
. 1 . 214 . 1 1 14 NH2 HN2 H 7.671 -1.544 -2.354 . . . 1.0 . . . . . . . . . . . . A . 14 NH2 HN2 . . . . . . . . . rr_6mk8 1
. 1 . 215 . 1 1 14 NH2 N N 8.227 -2.303 -2.631 . . . 1.0 . . . . . . . . . . . . A . 14 NH2 N . . . . . . . . . rr_6mk8 1
. 2 . 216 . 1 1 1 GLY C C -9.206 -0.581 1.123 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . rr_6mk8 1
. 2 . 217 . 1 1 1 GLY CA C -10.632 -0.052 1.012 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . rr_6mk8 1
. 2 . 218 . 1 1 1 GLY H1 H -11.549 -0.581 -0.781 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . rr_6mk8 1
. 2 . 219 . 1 1 1 GLY H2 H -12.381 -1.105 0.604 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . rr_6mk8 1
. 2 . 220 . 1 1 1 GLY H3 H -10.964 -1.900 0.110 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . rr_6mk8 1
. 2 . 221 . 1 1 1 GLY HA2 H -10.619 0.927 0.556 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . rr_6mk8 1
. 2 . 222 . 1 1 1 GLY HA3 H -11.065 0.013 1.998 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . rr_6mk8 1
. 2 . 223 . 1 1 1 GLY N N -11.442 -0.979 0.173 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . rr_6mk8 1
. 2 . 224 . 1 1 1 GLY O O -8.258 0.190 1.265 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . rr_6mk8 1
. 2 . 225 . 1 1 2 LEU C C -6.869 -2.098 -0.019 . . . 1.0 . . . . . . . . . . . . A . 2 LEU C . . . . . . . . . rr_6mk8 1
. 2 . 226 . 1 1 2 LEU CA C -7.747 -2.521 1.154 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CA . . . . . . . . . rr_6mk8 1
. 2 . 227 . 1 1 2 LEU CB C -7.887 -4.048 1.171 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CB . . . . . . . . . rr_6mk8 1
. 2 . 228 . 1 1 2 LEU CD1 C -7.646 -5.050 -1.123 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD1 . . . . . . . . . rr_6mk8 1
. 2 . 229 . 1 1 2 LEU CD2 C -9.611 -5.646 0.295 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD2 . . . . . . . . . rr_6mk8 1
. 2 . 230 . 1 1 2 LEU CG C -8.640 -4.522 -0.084 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CG . . . . . . . . . rr_6mk8 1
. 2 . 231 . 1 1 2 LEU H H -9.856 -2.466 0.945 . . . 1.0 . . . . . . . . . . . . A . 2 LEU H . . . . . . . . . rr_6mk8 1
. 2 . 232 . 1 1 2 LEU HA H -7.277 -2.205 2.073 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HA . . . . . . . . . rr_6mk8 1
. 2 . 233 . 1 1 2 LEU HB2 H -6.903 -4.496 1.197 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB2 . . . . . . . . . rr_6mk8 1
. 2 . 234 . 1 1 2 LEU HB3 H -8.435 -4.342 2.053 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB3 . . . . . . . . . rr_6mk8 1
. 2 . 235 . 1 1 2 LEU HD11 H -8.186 -5.409 -1.986 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD11 . . . . . . . . . rr_6mk8 1
. 2 . 236 . 1 1 2 LEU HD12 H -7.072 -5.858 -0.695 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD12 . . . . . . . . . rr_6mk8 1
. 2 . 237 . 1 1 2 LEU HD13 H -6.980 -4.255 -1.422 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD13 . . . . . . . . . rr_6mk8 1
. 2 . 238 . 1 1 2 LEU HD21 H -10.337 -5.271 1.000 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD21 . . . . . . . . . rr_6mk8 1
. 2 . 239 . 1 1 2 LEU HD22 H -9.062 -6.461 0.741 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD22 . . . . . . . . . rr_6mk8 1
. 2 . 240 . 1 1 2 LEU HD23 H -10.119 -5.997 -0.591 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD23 . . . . . . . . . rr_6mk8 1
. 2 . 241 . 1 1 2 LEU HG H -9.195 -3.698 -0.509 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HG . . . . . . . . . rr_6mk8 1
. 2 . 242 . 1 1 2 LEU N N -9.063 -1.901 1.059 . . . 1.0 . . . . . . . . . . . . A . 2 LEU N . . . . . . . . . rr_6mk8 1
. 2 . 243 . 1 1 2 LEU O O -5.644 -2.054 0.094 . . . 1.0 . . . . . . . . . . . . A . 2 LEU O . . . . . . . . . rr_6mk8 1
. 2 . 244 . 1 1 3 SER C C -5.891 -0.162 -2.025 . . . 1.0 . . . . . . . . . . . . A . 3 SER C . . . . . . . . . rr_6mk8 1
. 2 . 245 . 1 1 3 SER CA C -6.770 -1.371 -2.334 . . . 1.0 . . . . . . . . . . . . A . 3 SER CA . . . . . . . . . rr_6mk8 1
. 2 . 246 . 1 1 3 SER CB C -7.748 -1.019 -3.455 . . . 1.0 . . . . . . . . . . . . A . 3 SER CB . . . . . . . . . rr_6mk8 1
. 2 . 247 . 1 1 3 SER H H -8.482 -1.842 -1.177 . . . 1.0 . . . . . . . . . . . . A . 3 SER H . . . . . . . . . rr_6mk8 1
. 2 . 248 . 1 1 3 SER HA H -6.142 -2.185 -2.663 . . . 1.0 . . . . . . . . . . . . A . 3 SER HA . . . . . . . . . rr_6mk8 1
. 2 . 249 . 1 1 3 SER HB2 H -7.202 -0.703 -4.327 . . . 1.0 . . . . . . . . . . . . A . 3 SER HB2 . . . . . . . . . rr_6mk8 1
. 2 . 250 . 1 1 3 SER HB3 H -8.340 -1.892 -3.701 . . . 1.0 . . . . . . . . . . . . A . 3 SER HB3 . . . . . . . . . rr_6mk8 1
. 2 . 251 . 1 1 3 SER HG H -8.885 0.521 -3.802 . . . 1.0 . . . . . . . . . . . . A . 3 SER HG . . . . . . . . . rr_6mk8 1
. 2 . 252 . 1 1 3 SER N N -7.503 -1.788 -1.146 . . . 1.0 . . . . . . . . . . . . A . 3 SER N . . . . . . . . . rr_6mk8 1
. 2 . 253 . 1 1 3 SER O O -4.729 -0.107 -2.431 . . . 1.0 . . . . . . . . . . . . A . 3 SER O . . . . . . . . . rr_6mk8 1
. 2 . 254 . 1 1 3 SER OG O -8.596 0.038 -3.025 . . . 1.0 . . . . . . . . . . . . A . 3 SER OG . . . . . . . . . rr_6mk8 1
. 2 . 255 . 1 1 4 LEU C C -4.494 1.654 -0.097 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . rr_6mk8 1
. 2 . 256 . 1 1 4 LEU CA C -5.710 2.009 -0.948 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . rr_6mk8 1
. 2 . 257 . 1 1 4 LEU CB C -6.616 2.970 -0.172 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . rr_6mk8 1
. 2 . 258 . 1 1 4 LEU CD1 C -6.419 5.160 -1.384 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . rr_6mk8 1
. 2 . 259 . 1 1 4 LEU CD2 C -6.453 5.114 1.112 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . rr_6mk8 1
. 2 . 260 . 1 1 4 LEU CG C -5.988 4.371 -0.143 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . rr_6mk8 1
. 2 . 261 . 1 1 4 LEU H H -7.381 0.706 -1.009 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . rr_6mk8 1
. 2 . 262 . 1 1 4 LEU HA H -5.375 2.495 -1.851 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . rr_6mk8 1
. 2 . 263 . 1 1 4 LEU HB2 H -7.584 3.016 -0.650 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . rr_6mk8 1
. 2 . 264 . 1 1 4 LEU HB3 H -6.735 2.610 0.840 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . rr_6mk8 1
. 2 . 265 . 1 1 4 LEU HD11 H -6.341 4.530 -2.257 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . rr_6mk8 1
. 2 . 266 . 1 1 4 LEU HD12 H -5.778 6.021 -1.502 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . rr_6mk8 1
. 2 . 267 . 1 1 4 LEU HD13 H -7.442 5.487 -1.264 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . rr_6mk8 1
. 2 . 268 . 1 1 4 LEU HD21 H -6.203 6.162 1.024 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . rr_6mk8 1
. 2 . 269 . 1 1 4 LEU HD22 H -5.963 4.699 1.980 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . rr_6mk8 1
. 2 . 270 . 1 1 4 LEU HD23 H -7.523 5.007 1.218 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . rr_6mk8 1
. 2 . 271 . 1 1 4 LEU HG H -4.910 4.284 -0.130 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . rr_6mk8 1
. 2 . 272 . 1 1 4 LEU N N -6.453 0.804 -1.306 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . rr_6mk8 1
. 2 . 273 . 1 1 4 LEU O O -3.415 2.221 -0.272 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . rr_6mk8 1
. 2 . 274 . 1 1 5 LEU C C -2.401 -0.197 0.867 . . . 1.0 . . . . . . . . . . . . A . 5 LEU C . . . . . . . . . rr_6mk8 1
. 2 . 275 . 1 1 5 LEU CA C -3.588 0.288 1.697 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CA . . . . . . . . . rr_6mk8 1
. 2 . 276 . 1 1 5 LEU CB C -4.075 -0.839 2.621 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CB . . . . . . . . . rr_6mk8 1
. 2 . 277 . 1 1 5 LEU CD1 C -1.834 -0.786 3.756 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD1 . . . . . . . . . rr_6mk8 1
. 2 . 278 . 1 1 5 LEU CD2 C -3.756 0.498 4.734 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD2 . . . . . . . . . rr_6mk8 1
. 2 . 279 . 1 1 5 LEU CG C -3.351 -0.777 3.975 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CG . . . . . . . . . rr_6mk8 1
. 2 . 280 . 1 1 5 LEU H H -5.558 0.296 0.917 . . . 1.0 . . . . . . . . . . . . A . 5 LEU H . . . . . . . . . rr_6mk8 1
. 2 . 281 . 1 1 5 LEU HA H -3.276 1.128 2.296 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HA . . . . . . . . . rr_6mk8 1
. 2 . 282 . 1 1 5 LEU HB2 H -5.138 -0.734 2.779 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB2 . . . . . . . . . rr_6mk8 1
. 2 . 283 . 1 1 5 LEU HB3 H -3.878 -1.794 2.157 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB3 . . . . . . . . . rr_6mk8 1
. 2 . 284 . 1 1 5 LEU HD11 H -1.588 -1.477 2.962 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD11 . . . . . . . . . rr_6mk8 1
. 2 . 285 . 1 1 5 LEU HD12 H -1.343 -1.096 4.666 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD12 . . . . . . . . . rr_6mk8 1
. 2 . 286 . 1 1 5 LEU HD13 H -1.502 0.205 3.488 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD13 . . . . . . . . . rr_6mk8 1
. 2 . 287 . 1 1 5 LEU HD21 H -3.801 0.285 5.792 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD21 . . . . . . . . . rr_6mk8 1
. 2 . 288 . 1 1 5 LEU HD22 H -4.725 0.833 4.395 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD22 . . . . . . . . . rr_6mk8 1
. 2 . 289 . 1 1 5 LEU HD23 H -3.026 1.275 4.558 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD23 . . . . . . . . . rr_6mk8 1
. 2 . 290 . 1 1 5 LEU HG H -3.627 -1.643 4.561 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HG . . . . . . . . . rr_6mk8 1
. 2 . 291 . 1 1 5 LEU N N -4.677 0.712 0.824 . . . 1.0 . . . . . . . . . . . . A . 5 LEU N . . . . . . . . . rr_6mk8 1
. 2 . 292 . 1 1 5 LEU O O -1.247 0.086 1.189 . . . 1.0 . . . . . . . . . . . . A . 5 LEU O . . . . . . . . . rr_6mk8 1
. 2 . 293 . 1 1 6 LEU C C -0.716 -0.328 -1.521 . . . 1.0 . . . . . . . . . . . . A . 6 LEU C . . . . . . . . . rr_6mk8 1
. 2 . 294 . 1 1 6 LEU CA C -1.645 -1.451 -1.070 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CA . . . . . . . . . rr_6mk8 1
. 2 . 295 . 1 1 6 LEU CB C -2.271 -2.126 -2.294 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CB . . . . . . . . . rr_6mk8 1
. 2 . 296 . 1 1 6 LEU CD1 C -1.645 -4.137 -3.662 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD1 . . . . . . . . . rr_6mk8 1
. 2 . 297 . 1 1 6 LEU CD2 C -0.867 -1.872 -4.365 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD2 . . . . . . . . . rr_6mk8 1
. 2 . 298 . 1 1 6 LEU CG C -1.172 -2.770 -3.160 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CG . . . . . . . . . rr_6mk8 1
. 2 . 299 . 1 1 6 LEU H H -3.632 -1.124 -0.410 . . . 1.0 . . . . . . . . . . . . A . 6 LEU H . . . . . . . . . rr_6mk8 1
. 2 . 300 . 1 1 6 LEU HA H -1.071 -2.183 -0.523 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HA . . . . . . . . . rr_6mk8 1
. 2 . 301 . 1 1 6 LEU HB2 H -2.964 -2.887 -1.963 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB2 . . . . . . . . . rr_6mk8 1
. 2 . 302 . 1 1 6 LEU HB3 H -2.803 -1.389 -2.876 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB3 . . . . . . . . . rr_6mk8 1
. 2 . 303 . 1 1 6 LEU HD11 H -2.595 -4.026 -4.167 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD11 . . . . . . . . . rr_6mk8 1
. 2 . 304 . 1 1 6 LEU HD12 H -1.760 -4.808 -2.824 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD12 . . . . . . . . . rr_6mk8 1
. 2 . 305 . 1 1 6 LEU HD13 H -0.918 -4.541 -4.349 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD13 . . . . . . . . . rr_6mk8 1
. 2 . 306 . 1 1 6 LEU HD21 H -0.506 -0.915 -4.020 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD21 . . . . . . . . . rr_6mk8 1
. 2 . 307 . 1 1 6 LEU HD22 H -1.766 -1.730 -4.946 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD22 . . . . . . . . . rr_6mk8 1
. 2 . 308 . 1 1 6 LEU HD23 H -0.112 -2.340 -4.980 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD23 . . . . . . . . . rr_6mk8 1
. 2 . 309 . 1 1 6 LEU HG H -0.274 -2.900 -2.572 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HG . . . . . . . . . rr_6mk8 1
. 2 . 310 . 1 1 6 LEU N N -2.694 -0.929 -0.202 . . . 1.0 . . . . . . . . . . . . A . 6 LEU N . . . . . . . . . rr_6mk8 1
. 2 . 311 . 1 1 6 LEU O O 0.490 -0.529 -1.668 . . . 1.0 . . . . . . . . . . . . A . 6 LEU O . . . . . . . . . rr_6mk8 1
. 2 . 312 . 1 1 7 SER C C 0.700 2.207 -1.245 . . . 1.0 . . . . . . . . . . . . A . 7 SER C . . . . . . . . . rr_6mk8 1
. 2 . 313 . 1 1 7 SER CA C -0.493 2.000 -2.172 . . . 1.0 . . . . . . . . . . . . A . 7 SER CA . . . . . . . . . rr_6mk8 1
. 2 . 314 . 1 1 7 SER CB C -1.360 3.260 -2.181 . . . 1.0 . . . . . . . . . . . . A . 7 SER CB . . . . . . . . . rr_6mk8 1
. 2 . 315 . 1 1 7 SER H H -2.249 0.957 -1.605 . . . 1.0 . . . . . . . . . . . . A . 7 SER H . . . . . . . . . rr_6mk8 1
. 2 . 316 . 1 1 7 SER HA H -0.132 1.819 -3.173 . . . 1.0 . . . . . . . . . . . . A . 7 SER HA . . . . . . . . . rr_6mk8 1
. 2 . 317 . 1 1 7 SER HB2 H -2.311 3.042 -2.638 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB2 . . . . . . . . . rr_6mk8 1
. 2 . 318 . 1 1 7 SER HB3 H -1.520 3.592 -1.164 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB3 . . . . . . . . . rr_6mk8 1
. 2 . 319 . 1 1 7 SER HG H 0.010 3.865 -3.422 . . . 1.0 . . . . . . . . . . . . A . 7 SER HG . . . . . . . . . rr_6mk8 1
. 2 . 320 . 1 1 7 SER N N -1.283 0.854 -1.738 . . . 1.0 . . . . . . . . . . . . A . 7 SER N . . . . . . . . . rr_6mk8 1
. 2 . 321 . 1 1 7 SER O O 1.824 2.415 -1.701 . . . 1.0 . . . . . . . . . . . . A . 7 SER O . . . . . . . . . rr_6mk8 1
. 2 . 322 . 1 1 7 SER OG O -0.704 4.275 -2.929 . . . 1.0 . . . . . . . . . . . . A . 7 SER OG . . . . . . . . . rr_6mk8 1
. 2 . 323 . 1 1 8 LEU C C 2.408 1.093 1.079 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . rr_6mk8 1
. 2 . 324 . 1 1 8 LEU CA C 1.508 2.323 1.041 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . rr_6mk8 1
. 2 . 325 . 1 1 8 LEU CB C 0.902 2.561 2.428 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . rr_6mk8 1
. 2 . 326 . 1 1 8 LEU CD1 C -0.854 3.804 3.696 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . rr_6mk8 1
. 2 . 327 . 1 1 8 LEU CD2 C 0.043 4.742 1.562 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . rr_6mk8 1
. 2 . 328 . 1 1 8 LEU CG C -0.332 3.456 2.301 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . rr_6mk8 1
. 2 . 329 . 1 1 8 LEU H H -0.469 1.974 0.363 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . rr_6mk8 1
. 2 . 330 . 1 1 8 LEU HA H 2.100 3.183 0.767 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . rr_6mk8 1
. 2 . 331 . 1 1 8 LEU HB2 H 0.619 1.615 2.864 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . rr_6mk8 1
. 2 . 332 . 1 1 8 LEU HB3 H 1.632 3.046 3.061 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . rr_6mk8 1
. 2 . 333 . 1 1 8 LEU HD11 H -1.235 2.911 4.171 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . rr_6mk8 1
. 2 . 334 . 1 1 8 LEU HD12 H -1.646 4.532 3.613 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . rr_6mk8 1
. 2 . 335 . 1 1 8 LEU HD13 H -0.049 4.212 4.290 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . rr_6mk8 1
. 2 . 336 . 1 1 8 LEU HD21 H 0.949 5.150 1.987 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . rr_6mk8 1
. 2 . 337 . 1 1 8 LEU HD22 H -0.757 5.461 1.663 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . rr_6mk8 1
. 2 . 338 . 1 1 8 LEU HD23 H 0.202 4.524 0.517 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . rr_6mk8 1
. 2 . 339 . 1 1 8 LEU HG H -1.100 2.932 1.750 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . rr_6mk8 1
. 2 . 340 . 1 1 8 LEU N N 0.447 2.145 0.059 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . rr_6mk8 1
. 2 . 341 . 1 1 8 LEU O O 3.595 1.188 1.391 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . rr_6mk8 1
. 2 . 342 . 1 1 9 GLY C C 3.686 -1.275 -0.302 . . . 1.0 . . . . . . . . . . . . A . 9 GLY C . . . . . . . . . rr_6mk8 1
. 2 . 343 . 1 1 9 GLY CA C 2.588 -1.307 0.756 . . . 1.0 . . . . . . . . . . . . A . 9 GLY CA . . . . . . . . . rr_6mk8 1
. 2 . 344 . 1 1 9 GLY H H 0.883 -0.074 0.518 . . . 1.0 . . . . . . . . . . . . A . 9 GLY H . . . . . . . . . rr_6mk8 1
. 2 . 345 . 1 1 9 GLY HA2 H 3.034 -1.453 1.729 . . . 1.0 . . . . . . . . . . . . A . 9 GLY HA2 . . . . . . . . . rr_6mk8 1
. 2 . 346 . 1 1 9 GLY HA3 H 1.920 -2.129 0.544 . . . 1.0 . . . . . . . . . . . . A . 9 GLY HA3 . . . . . . . . . rr_6mk8 1
. 2 . 347 . 1 1 9 GLY N N 1.832 -0.061 0.758 . . . 1.0 . . . . . . . . . . . . A . 9 GLY N . . . . . . . . . rr_6mk8 1
. 2 . 348 . 1 1 9 GLY O O 4.835 -1.619 -0.026 . . . 1.0 . . . . . . . . . . . . A . 9 GLY O . . . . . . . . . rr_6mk8 1
. 2 . 349 . 1 1 10 LEU C C 5.366 0.249 -2.274 . . . 1.0 . . . . . . . . . . . . A . 10 LEU C . . . . . . . . . rr_6mk8 1
. 2 . 350 . 1 1 10 LEU CA C 4.289 -0.782 -2.601 . . . 1.0 . . . . . . . . . . . . A . 10 LEU CA . . . . . . . . . rr_6mk8 1
. 2 . 351 . 1 1 10 LEU CB C 3.552 -0.426 -3.910 . . . 1.0 . . . . . . . . . . . . A . 10 LEU CB . . . . . . . . . rr_6mk8 1
. 2 . 352 . 1 1 10 LEU CD1 C 5.711 0.106 -5.100 . . . 1.0 . . . . . . . . . . . . A . 10 LEU CD1 . . . . . . . . . rr_6mk8 1
. 2 . 353 . 1 1 10 LEU CD2 C 3.528 0.967 -5.982 . . . 1.0 . . . . . . . . . . . . A . 10 LEU CD2 . . . . . . . . . rr_6mk8 1
. 2 . 354 . 1 1 10 LEU CG C 4.320 0.635 -4.714 . . . 1.0 . . . . . . . . . . . . A . 10 LEU CG . . . . . . . . . rr_6mk8 1
. 2 . 355 . 1 1 10 LEU H H 2.395 -0.594 -1.672 . . . 1.0 . . . . . . . . . . . . A . 10 LEU H . . . . . . . . . rr_6mk8 1
. 2 . 356 . 1 1 10 LEU HA H 4.760 -1.746 -2.715 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HA . . . . . . . . . rr_6mk8 1
. 2 . 357 . 1 1 10 LEU HB2 H 3.445 -1.317 -4.512 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HB2 . . . . . . . . . rr_6mk8 1
. 2 . 358 . 1 1 10 LEU HB3 H 2.571 -0.045 -3.669 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HB3 . . . . . . . . . rr_6mk8 1
. 2 . 359 . 1 1 10 LEU HD11 H 5.884 -0.850 -4.626 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HD11 . . . . . . . . . rr_6mk8 1
. 2 . 360 . 1 1 10 LEU HD12 H 6.464 0.808 -4.775 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HD12 . . . . . . . . . rr_6mk8 1
. 2 . 361 . 1 1 10 LEU HD13 H 5.772 -0.011 -6.172 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HD13 . . . . . . . . . rr_6mk8 1
. 2 . 362 . 1 1 10 LEU HD21 H 4.128 1.592 -6.628 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HD21 . . . . . . . . . rr_6mk8 1
. 2 . 363 . 1 1 10 LEU HD22 H 2.622 1.492 -5.714 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HD22 . . . . . . . . . rr_6mk8 1
. 2 . 364 . 1 1 10 LEU HD23 H 3.275 0.053 -6.499 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HD23 . . . . . . . . . rr_6mk8 1
. 2 . 365 . 1 1 10 LEU HG H 4.427 1.529 -4.117 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HG . . . . . . . . . rr_6mk8 1
. 2 . 366 . 1 1 10 LEU N N 3.326 -0.858 -1.511 . . . 1.0 . . . . . . . . . . . . A . 10 LEU N . . . . . . . . . rr_6mk8 1
. 2 . 367 . 1 1 10 LEU O O 6.545 0.045 -2.561 . . . 1.0 . . . . . . . . . . . . A . 10 LEU O . . . . . . . . . rr_6mk8 1
. 2 . 368 . 1 1 11 LYS C C 7.050 1.823 -0.500 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . rr_6mk8 1
. 2 . 369 . 1 1 11 LYS CA C 5.882 2.407 -1.291 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . rr_6mk8 1
. 2 . 370 . 1 1 11 LYS CB C 5.150 3.457 -0.446 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . rr_6mk8 1
. 2 . 371 . 1 1 11 LYS CD C 5.945 4.998 1.393 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . rr_6mk8 1
. 2 . 372 . 1 1 11 LYS CE C 6.890 4.147 2.251 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . rr_6mk8 1
. 2 . 373 . 1 1 11 LYS CG C 6.100 4.620 -0.089 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . rr_6mk8 1
. 2 . 374 . 1 1 11 LYS H H 3.998 1.455 -1.454 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . rr_6mk8 1
. 2 . 375 . 1 1 11 LYS HA H 6.260 2.877 -2.187 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . rr_6mk8 1
. 2 . 376 . 1 1 11 LYS HB2 H 4.311 3.841 -1.007 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . rr_6mk8 1
. 2 . 377 . 1 1 11 LYS HB3 H 4.789 2.994 0.460 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . rr_6mk8 1
. 2 . 378 . 1 1 11 LYS HD2 H 6.191 6.042 1.522 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . rr_6mk8 1
. 2 . 379 . 1 1 11 LYS HD3 H 4.926 4.831 1.708 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . rr_6mk8 1
. 2 . 380 . 1 1 11 LYS HE2 H 7.912 4.348 1.969 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . rr_6mk8 1
. 2 . 381 . 1 1 11 LYS HE3 H 6.750 4.397 3.293 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . rr_6mk8 1
. 2 . 382 . 1 1 11 LYS HG2 H 7.122 4.330 -0.281 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . rr_6mk8 1
. 2 . 383 . 1 1 11 LYS HG3 H 5.856 5.477 -0.700 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . rr_6mk8 1
. 2 . 384 . 1 1 11 LYS HZ1 H 6.201 2.556 1.096 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . rr_6mk8 1
. 2 . 385 . 1 1 11 LYS HZ2 H 5.907 2.379 2.758 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ2 . . . . . . . . . rr_6mk8 1
. 2 . 386 . 1 1 11 LYS HZ3 H 7.472 2.150 2.139 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ3 . . . . . . . . . rr_6mk8 1
. 2 . 387 . 1 1 11 LYS N N 4.949 1.351 -1.663 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . rr_6mk8 1
. 2 . 388 . 1 1 11 LYS NZ N 6.595 2.699 2.045 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . rr_6mk8 1
. 2 . 389 . 1 1 11 LYS O O 8.173 2.321 -0.570 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . rr_6mk8 1
. 2 . 390 . 1 1 12 LEU C C 8.642 -0.824 0.204 . . . 1.0 . . . . . . . . . . . . A . 12 LEU C . . . . . . . . . rr_6mk8 1
. 2 . 391 . 1 1 12 LEU CA C 7.804 0.120 1.062 . . . 1.0 . . . . . . . . . . . . A . 12 LEU CA . . . . . . . . . rr_6mk8 1
. 2 . 392 . 1 1 12 LEU CB C 7.146 -0.663 2.212 . . . 1.0 . . . . . . . . . . . . A . 12 LEU CB . . . . . . . . . rr_6mk8 1
. 2 . 393 . 1 1 12 LEU CD1 C 6.612 -0.585 4.654 . . . 1.0 . . . . . . . . . . . . A . 12 LEU CD1 . . . . . . . . . rr_6mk8 1
. 2 . 394 . 1 1 12 LEU CD2 C 8.988 -0.489 3.900 . . . 1.0 . . . . . . . . . . . . A . 12 LEU CD2 . . . . . . . . . rr_6mk8 1
. 2 . 395 . 1 1 12 LEU CG C 7.555 -0.068 3.566 . . . 1.0 . . . . . . . . . . . . A . 12 LEU CG . . . . . . . . . rr_6mk8 1
. 2 . 396 . 1 1 12 LEU H H 5.858 0.411 0.269 . . . 1.0 . . . . . . . . . . . . A . 12 LEU H . . . . . . . . . rr_6mk8 1
. 2 . 397 . 1 1 12 LEU HA H 8.450 0.880 1.474 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HA . . . . . . . . . rr_6mk8 1
. 2 . 398 . 1 1 12 LEU HB2 H 6.073 -0.610 2.109 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HB2 . . . . . . . . . rr_6mk8 1
. 2 . 399 . 1 1 12 LEU HB3 H 7.455 -1.699 2.171 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HB3 . . . . . . . . . rr_6mk8 1
. 2 . 400 . 1 1 12 LEU HD11 H 6.976 -0.276 5.623 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD11 . . . . . . . . . rr_6mk8 1
. 2 . 401 . 1 1 12 LEU HD12 H 6.570 -1.663 4.611 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD12 . . . . . . . . . rr_6mk8 1
. 2 . 402 . 1 1 12 LEU HD13 H 5.623 -0.180 4.495 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD13 . . . . . . . . . rr_6mk8 1
. 2 . 403 . 1 1 12 LEU HD21 H 9.242 -0.144 4.891 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD21 . . . . . . . . . rr_6mk8 1
. 2 . 404 . 1 1 12 LEU HD22 H 9.669 -0.057 3.183 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD22 . . . . . . . . . rr_6mk8 1
. 2 . 405 . 1 1 12 LEU HD23 H 9.065 -1.566 3.865 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD23 . . . . . . . . . rr_6mk8 1
. 2 . 406 . 1 1 12 LEU HG H 7.493 1.010 3.521 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HG . . . . . . . . . rr_6mk8 1
. 2 . 407 . 1 1 12 LEU N N 6.772 0.765 0.255 . . . 1.0 . . . . . . . . . . . . A . 12 LEU N . . . . . . . . . rr_6mk8 1
. 2 . 408 . 1 1 12 LEU O O 9.751 -1.201 0.584 . . . 1.0 . . . . . . . . . . . . A . 12 LEU O . . . . . . . . . rr_6mk8 1
. 2 . 409 . 1 1 13 LEU C C 9.117 -1.421 -3.174 . . . 1.0 . . . . . . . . . . . . A . 13 LEU C . . . . . . . . . rr_6mk8 1
. 2 . 410 . 1 1 13 LEU CA C 8.801 -2.115 -1.853 . . . 1.0 . . . . . . . . . . . . A . 13 LEU CA . . . . . . . . . rr_6mk8 1
. 2 . 411 . 1 1 13 LEU CB C 7.938 -3.354 -2.112 . . . 1.0 . . . . . . . . . . . . A . 13 LEU CB . . . . . . . . . rr_6mk8 1
. 2 . 412 . 1 1 13 LEU CD1 C 6.301 -4.945 -1.091 . . . 1.0 . . . . . . . . . . . . A . 13 LEU CD1 . . . . . . . . . rr_6mk8 1
. 2 . 413 . 1 1 13 LEU CD2 C 8.321 -4.236 0.196 . . . 1.0 . . . . . . . . . . . . A . 13 LEU CD2 . . . . . . . . . rr_6mk8 1
. 2 . 414 . 1 1 13 LEU CG C 7.258 -3.786 -0.809 . . . 1.0 . . . . . . . . . . . . A . 13 LEU CG . . . . . . . . . rr_6mk8 1
. 2 . 415 . 1 1 13 LEU H H 7.211 -0.877 -1.193 . . . 1.0 . . . . . . . . . . . . A . 13 LEU H . . . . . . . . . rr_6mk8 1
. 2 . 416 . 1 1 13 LEU HA H 9.728 -2.429 -1.394 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HA . . . . . . . . . rr_6mk8 1
. 2 . 417 . 1 1 13 LEU HB2 H 7.185 -3.120 -2.850 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HB2 . . . . . . . . . rr_6mk8 1
. 2 . 418 . 1 1 13 LEU HB3 H 8.561 -4.158 -2.474 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HB3 . . . . . . . . . rr_6mk8 1
. 2 . 419 . 1 1 13 LEU HD11 H 6.817 -5.709 -1.653 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HD11 . . . . . . . . . rr_6mk8 1
. 2 . 420 . 1 1 13 LEU HD12 H 5.458 -4.583 -1.662 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HD12 . . . . . . . . . rr_6mk8 1
. 2 . 421 . 1 1 13 LEU HD13 H 5.952 -5.358 -0.157 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HD13 . . . . . . . . . rr_6mk8 1
. 2 . 422 . 1 1 13 LEU HD21 H 7.844 -4.743 1.022 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HD21 . . . . . . . . . rr_6mk8 1
. 2 . 423 . 1 1 13 LEU HD22 H 8.856 -3.374 0.564 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HD22 . . . . . . . . . rr_6mk8 1
. 2 . 424 . 1 1 13 LEU HD23 H 9.013 -4.909 -0.289 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HD23 . . . . . . . . . rr_6mk8 1
. 2 . 425 . 1 1 13 LEU HG H 6.701 -2.957 -0.400 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HG . . . . . . . . . rr_6mk8 1
. 2 . 426 . 1 1 13 LEU N N 8.101 -1.207 -0.948 . . . 1.0 . . . . . . . . . . . . A . 13 LEU N . . . . . . . . . rr_6mk8 1
. 2 . 427 . 1 1 13 LEU O O 10.238 -0.957 -3.383 . . . 1.0 . . . . . . . . . . . . A . 13 LEU O . . . . . . . . . rr_6mk8 1
. 2 . 428 . 1 1 14 NH2 HN1 H 8.384 -0.872 -4.935 . . . 1.0 . . . . . . . . . . . . A . 14 NH2 HN1 . . . . . . . . . rr_6mk8 1
. 2 . 429 . 1 1 14 NH2 HN2 H 7.297 -1.688 -3.919 . . . 1.0 . . . . . . . . . . . . A . 14 NH2 HN2 . . . . . . . . . rr_6mk8 1
. 2 . 430 . 1 1 14 NH2 N N 8.188 -1.319 -4.085 . . . 1.0 . . . . . . . . . . . . A . 14 NH2 N . . . . . . . . . rr_6mk8 1
. 3 . 431 . 1 1 1 GLY C C -9.934 0.129 0.403 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . rr_6mk8 1
. 3 . 432 . 1 1 1 GLY CA C -11.215 0.764 -0.126 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . rr_6mk8 1
. 3 . 433 . 1 1 1 GLY H1 H -13.253 0.690 0.296 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . rr_6mk8 1
. 3 . 434 . 1 1 1 GLY H2 H -12.257 0.655 1.673 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . rr_6mk8 1
. 3 . 435 . 1 1 1 GLY H3 H -12.412 -0.728 0.698 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . rr_6mk8 1
. 3 . 436 . 1 1 1 GLY HA2 H -11.367 0.467 -1.155 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . rr_6mk8 1
. 3 . 437 . 1 1 1 GLY HA3 H -11.130 1.838 -0.069 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . rr_6mk8 1
. 3 . 438 . 1 1 1 GLY N N -12.371 0.311 0.698 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . rr_6mk8 1
. 3 . 439 . 1 1 1 GLY O O -8.950 0.820 0.669 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . rr_6mk8 1
. 3 . 440 . 1 1 2 LEU C C -7.661 -1.881 0.018 . . . 1.0 . . . . . . . . . . . . A . 2 LEU C . . . . . . . . . rr_6mk8 1
. 3 . 441 . 1 1 2 LEU CA C -8.785 -1.910 1.051 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CA . . . . . . . . . rr_6mk8 1
. 3 . 442 . 1 1 2 LEU CB C -9.157 -3.364 1.374 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CB . . . . . . . . . rr_6mk8 1
. 3 . 443 . 1 1 2 LEU CD1 C -10.099 -5.349 0.165 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD1 . . . . . . . . . rr_6mk8 1
. 3 . 444 . 1 1 2 LEU CD2 C -11.635 -3.580 1.033 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD2 . . . . . . . . . rr_6mk8 1
. 3 . 445 . 1 1 2 LEU CG C -10.257 -3.847 0.416 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CG . . . . . . . . . rr_6mk8 1
. 3 . 446 . 1 1 2 LEU H H -10.763 -1.691 0.324 . . . 1.0 . . . . . . . . . . . . A . 2 LEU H . . . . . . . . . rr_6mk8 1
. 3 . 447 . 1 1 2 LEU HA H -8.439 -1.430 1.955 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HA . . . . . . . . . rr_6mk8 1
. 3 . 448 . 1 1 2 LEU HB2 H -8.282 -3.991 1.267 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB2 . . . . . . . . . rr_6mk8 1
. 3 . 449 . 1 1 2 LEU HB3 H -9.516 -3.425 2.391 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB3 . . . . . . . . . rr_6mk8 1
. 3 . 450 . 1 1 2 LEU HD11 H -10.989 -5.730 -0.313 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD11 . . . . . . . . . rr_6mk8 1
. 3 . 451 . 1 1 2 LEU HD12 H -9.950 -5.857 1.107 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD12 . . . . . . . . . rr_6mk8 1
. 3 . 452 . 1 1 2 LEU HD13 H -9.245 -5.519 -0.475 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD13 . . . . . . . . . rr_6mk8 1
. 3 . 453 . 1 1 2 LEU HD21 H -11.632 -2.618 1.523 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD21 . . . . . . . . . rr_6mk8 1
. 3 . 454 . 1 1 2 LEU HD22 H -11.862 -4.350 1.757 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD22 . . . . . . . . . rr_6mk8 1
. 3 . 455 . 1 1 2 LEU HD23 H -12.384 -3.586 0.255 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD23 . . . . . . . . . rr_6mk8 1
. 3 . 456 . 1 1 2 LEU HG H -10.174 -3.320 -0.525 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HG . . . . . . . . . rr_6mk8 1
. 3 . 457 . 1 1 2 LEU N N -9.952 -1.191 0.553 . . . 1.0 . . . . . . . . . . . . A . 2 LEU N . . . . . . . . . rr_6mk8 1
. 3 . 458 . 1 1 2 LEU O O -6.513 -2.201 0.326 . . . 1.0 . . . . . . . . . . . . A . 2 LEU O . . . . . . . . . rr_6mk8 1
. 3 . 459 . 1 1 3 SER C C -6.047 -0.272 -2.047 . . . 1.0 . . . . . . . . . . . . A . 3 SER C . . . . . . . . . rr_6mk8 1
. 3 . 460 . 1 1 3 SER CA C -7.012 -1.430 -2.279 . . . 1.0 . . . . . . . . . . . . A . 3 SER CA . . . . . . . . . rr_6mk8 1
. 3 . 461 . 1 1 3 SER CB C -7.713 -1.251 -3.625 . . . 1.0 . . . . . . . . . . . . A . 3 SER CB . . . . . . . . . rr_6mk8 1
. 3 . 462 . 1 1 3 SER H H -8.931 -1.255 -1.396 . . . 1.0 . . . . . . . . . . . . A . 3 SER H . . . . . . . . . rr_6mk8 1
. 3 . 463 . 1 1 3 SER HA H -6.454 -2.354 -2.297 . . . 1.0 . . . . . . . . . . . . A . 3 SER HA . . . . . . . . . rr_6mk8 1
. 3 . 464 . 1 1 3 SER HB2 H -8.144 -2.189 -3.937 . . . 1.0 . . . . . . . . . . . . A . 3 SER HB2 . . . . . . . . . rr_6mk8 1
. 3 . 465 . 1 1 3 SER HB3 H -8.499 -0.513 -3.525 . . . 1.0 . . . . . . . . . . . . A . 3 SER HB3 . . . . . . . . . rr_6mk8 1
. 3 . 466 . 1 1 3 SER HG H -6.611 0.113 -4.467 . . . 1.0 . . . . . . . . . . . . A . 3 SER HG . . . . . . . . . rr_6mk8 1
. 3 . 467 . 1 1 3 SER N N -8.001 -1.498 -1.208 . . . 1.0 . . . . . . . . . . . . A . 3 SER N . . . . . . . . . rr_6mk8 1
. 3 . 468 . 1 1 3 SER O O -4.883 -0.333 -2.441 . . . 1.0 . . . . . . . . . . . . A . 3 SER O . . . . . . . . . rr_6mk8 1
. 3 . 469 . 1 1 3 SER OG O -6.766 -0.826 -4.595 . . . 1.0 . . . . . . . . . . . . A . 3 SER OG . . . . . . . . . rr_6mk8 1
. 3 . 470 . 1 1 4 LEU C C -4.597 1.595 -0.145 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . rr_6mk8 1
. 3 . 471 . 1 1 4 LEU CA C -5.710 1.950 -1.125 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . rr_6mk8 1
. 3 . 472 . 1 1 4 LEU CB C -6.570 3.075 -0.541 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . rr_6mk8 1
. 3 . 473 . 1 1 4 LEU CD1 C -8.275 2.748 -2.343 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . rr_6mk8 1
. 3 . 474 . 1 1 4 LEU CD2 C -8.192 4.898 -1.070 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . rr_6mk8 1
. 3 . 475 . 1 1 4 LEU CG C -7.353 3.762 -1.661 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . rr_6mk8 1
. 3 . 476 . 1 1 4 LEU H H -7.475 0.776 -1.112 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . rr_6mk8 1
. 3 . 477 . 1 1 4 LEU HA H -5.267 2.294 -2.048 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . rr_6mk8 1
. 3 . 478 . 1 1 4 LEU HB2 H -7.261 2.660 0.180 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . rr_6mk8 1
. 3 . 479 . 1 1 4 LEU HB3 H -5.934 3.799 -0.053 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . rr_6mk8 1
. 3 . 480 . 1 1 4 LEU HD11 H -7.696 2.126 -3.009 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . rr_6mk8 1
. 3 . 481 . 1 1 4 LEU HD12 H -9.032 3.272 -2.907 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . rr_6mk8 1
. 3 . 482 . 1 1 4 LEU HD13 H -8.748 2.130 -1.594 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . rr_6mk8 1
. 3 . 483 . 1 1 4 LEU HD21 H -8.585 5.509 -1.870 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . rr_6mk8 1
. 3 . 484 . 1 1 4 LEU HD22 H -7.574 5.504 -0.425 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . rr_6mk8 1
. 3 . 485 . 1 1 4 LEU HD23 H -9.009 4.483 -0.500 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . rr_6mk8 1
. 3 . 486 . 1 1 4 LEU HG H -6.661 4.164 -2.388 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . rr_6mk8 1
. 3 . 487 . 1 1 4 LEU N N -6.539 0.782 -1.404 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . rr_6mk8 1
. 3 . 488 . 1 1 4 LEU O O -3.497 2.144 -0.213 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . rr_6mk8 1
. 3 . 489 . 1 1 5 LEU C C -2.665 -0.314 1.069 . . . 1.0 . . . . . . . . . . . . A . 5 LEU C . . . . . . . . . rr_6mk8 1
. 3 . 490 . 1 1 5 LEU CA C -3.903 0.252 1.756 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CA . . . . . . . . . rr_6mk8 1
. 3 . 491 . 1 1 5 LEU CB C -4.512 -0.809 2.680 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CB . . . . . . . . . rr_6mk8 1
. 3 . 492 . 1 1 5 LEU CD1 C -6.403 0.787 3.054 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD1 . . . . . . . . . rr_6mk8 1
. 3 . 493 . 1 1 5 LEU CD2 C -6.133 -1.201 4.542 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD2 . . . . . . . . . rr_6mk8 1
. 3 . 494 . 1 1 5 LEU CG C -5.388 -0.132 3.738 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CG . . . . . . . . . rr_6mk8 1
. 3 . 495 . 1 1 5 LEU H H -5.781 0.268 0.773 . . . 1.0 . . . . . . . . . . . . A . 5 LEU H . . . . . . . . . rr_6mk8 1
. 3 . 496 . 1 1 5 LEU HA H -3.615 1.107 2.348 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HA . . . . . . . . . rr_6mk8 1
. 3 . 497 . 1 1 5 LEU HB2 H -5.114 -1.490 2.096 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB2 . . . . . . . . . rr_6mk8 1
. 3 . 498 . 1 1 5 LEU HB3 H -3.722 -1.359 3.169 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB3 . . . . . . . . . rr_6mk8 1
. 3 . 499 . 1 1 5 LEU HD11 H -6.848 0.271 2.217 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD11 . . . . . . . . . rr_6mk8 1
. 3 . 500 . 1 1 5 LEU HD12 H -5.902 1.678 2.703 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD12 . . . . . . . . . rr_6mk8 1
. 3 . 501 . 1 1 5 LEU HD13 H -7.173 1.061 3.760 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD13 . . . . . . . . . rr_6mk8 1
. 3 . 502 . 1 1 5 LEU HD21 H -6.904 -1.641 3.928 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD21 . . . . . . . . . rr_6mk8 1
. 3 . 503 . 1 1 5 LEU HD22 H -6.581 -0.747 5.414 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD22 . . . . . . . . . rr_6mk8 1
. 3 . 504 . 1 1 5 LEU HD23 H -5.438 -1.967 4.851 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD23 . . . . . . . . . rr_6mk8 1
. 3 . 505 . 1 1 5 LEU HG H -4.765 0.451 4.400 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HG . . . . . . . . . rr_6mk8 1
. 3 . 506 . 1 1 5 LEU N N -4.889 0.672 0.767 . . . 1.0 . . . . . . . . . . . . A . 5 LEU N . . . . . . . . . rr_6mk8 1
. 3 . 507 . 1 1 5 LEU O O -1.536 -0.001 1.445 . . . 1.0 . . . . . . . . . . . . A . 5 LEU O . . . . . . . . . rr_6mk8 1
. 3 . 508 . 1 1 6 LEU C C -0.805 -0.679 -1.164 . . . 1.0 . . . . . . . . . . . . A . 6 LEU C . . . . . . . . . rr_6mk8 1
. 3 . 509 . 1 1 6 LEU CA C -1.776 -1.752 -0.676 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CA . . . . . . . . . rr_6mk8 1
. 3 . 510 . 1 1 6 LEU CB C -2.313 -2.541 -1.873 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CB . . . . . . . . . rr_6mk8 1
. 3 . 511 . 1 1 6 LEU CD1 C -3.952 -4.289 -2.586 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD1 . . . . . . . . . rr_6mk8 1
. 3 . 512 . 1 1 6 LEU CD2 C -3.219 -4.167 -0.201 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD2 . . . . . . . . . rr_6mk8 1
. 3 . 513 . 1 1 6 LEU CG C -3.546 -3.346 -1.452 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CG . . . . . . . . . rr_6mk8 1
. 3 . 514 . 1 1 6 LEU H H -3.804 -1.360 -0.199 . . . 1.0 . . . . . . . . . . . . A . 6 LEU H . . . . . . . . . rr_6mk8 1
. 3 . 515 . 1 1 6 LEU HA H -1.250 -2.428 -0.021 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HA . . . . . . . . . rr_6mk8 1
. 3 . 516 . 1 1 6 LEU HB2 H -2.584 -1.856 -2.663 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB2 . . . . . . . . . rr_6mk8 1
. 3 . 517 . 1 1 6 LEU HB3 H -1.551 -3.217 -2.230 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB3 . . . . . . . . . rr_6mk8 1
. 3 . 518 . 1 1 6 LEU HD11 H -4.850 -4.820 -2.309 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD11 . . . . . . . . . rr_6mk8 1
. 3 . 519 . 1 1 6 LEU HD12 H -3.156 -4.997 -2.769 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD12 . . . . . . . . . rr_6mk8 1
. 3 . 520 . 1 1 6 LEU HD13 H -4.136 -3.715 -3.483 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD13 . . . . . . . . . rr_6mk8 1
. 3 . 521 . 1 1 6 LEU HD21 H -3.201 -3.517 0.662 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD21 . . . . . . . . . rr_6mk8 1
. 3 . 522 . 1 1 6 LEU HD22 H -2.253 -4.634 -0.319 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD22 . . . . . . . . . rr_6mk8 1
. 3 . 523 . 1 1 6 LEU HD23 H -3.973 -4.928 -0.063 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD23 . . . . . . . . . rr_6mk8 1
. 3 . 524 . 1 1 6 LEU HG H -4.361 -2.670 -1.239 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HG . . . . . . . . . rr_6mk8 1
. 3 . 525 . 1 1 6 LEU N N -2.884 -1.148 0.059 . . . 1.0 . . . . . . . . . . . . A . 6 LEU N . . . . . . . . . rr_6mk8 1
. 3 . 526 . 1 1 6 LEU O O 0.385 -0.937 -1.336 . . . 1.0 . . . . . . . . . . . . A . 6 LEU O . . . . . . . . . rr_6mk8 1
. 3 . 527 . 1 1 7 SER C C 0.730 1.824 -0.995 . . . 1.0 . . . . . . . . . . . . A . 7 SER C . . . . . . . . . rr_6mk8 1
. 3 . 528 . 1 1 7 SER CA C -0.507 1.629 -1.872 . . . 1.0 . . . . . . . . . . . . A . 7 SER CA . . . . . . . . . rr_6mk8 1
. 3 . 529 . 1 1 7 SER CB C -1.331 2.915 -1.881 . . . 1.0 . . . . . . . . . . . . A . 7 SER CB . . . . . . . . . rr_6mk8 1
. 3 . 530 . 1 1 7 SER H H -2.285 0.663 -1.244 . . . 1.0 . . . . . . . . . . . . A . 7 SER H . . . . . . . . . rr_6mk8 1
. 3 . 531 . 1 1 7 SER HA H -0.187 1.415 -2.880 . . . 1.0 . . . . . . . . . . . . A . 7 SER HA . . . . . . . . . rr_6mk8 1
. 3 . 532 . 1 1 7 SER HB2 H -2.278 2.735 -2.362 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB2 . . . . . . . . . rr_6mk8 1
. 3 . 533 . 1 1 7 SER HB3 H -1.502 3.240 -0.864 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB3 . . . . . . . . . rr_6mk8 1
. 3 . 534 . 1 1 7 SER HG H -1.223 4.292 -3.252 . . . 1.0 . . . . . . . . . . . . A . 7 SER HG . . . . . . . . . rr_6mk8 1
. 3 . 535 . 1 1 7 SER N N -1.328 0.521 -1.394 . . . 1.0 . . . . . . . . . . . . A . 7 SER N . . . . . . . . . rr_6mk8 1
. 3 . 536 . 1 1 7 SER O O 1.800 2.176 -1.491 . . . 1.0 . . . . . . . . . . . . A . 7 SER O . . . . . . . . . rr_6mk8 1
. 3 . 537 . 1 1 7 SER OG O -0.625 3.919 -2.600 . . . 1.0 . . . . . . . . . . . . A . 7 SER OG . . . . . . . . . rr_6mk8 1
. 3 . 538 . 1 1 8 LEU C C 2.717 0.645 1.064 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . rr_6mk8 1
. 3 . 539 . 1 1 8 LEU CA C 1.698 1.770 1.231 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . rr_6mk8 1
. 3 . 540 . 1 1 8 LEU CB C 1.190 1.813 2.681 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . rr_6mk8 1
. 3 . 541 . 1 1 8 LEU CD1 C 1.965 -0.212 3.962 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . rr_6mk8 1
. 3 . 542 . 1 1 8 LEU CD2 C -0.435 0.474 4.054 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . rr_6mk8 1
. 3 . 543 . 1 1 8 LEU CG C 0.810 0.399 3.159 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . rr_6mk8 1
. 3 . 544 . 1 1 8 LEU H H -0.296 1.330 0.653 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . rr_6mk8 1
. 3 . 545 . 1 1 8 LEU HA H 2.184 2.710 1.013 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . rr_6mk8 1
. 3 . 546 . 1 1 8 LEU HB2 H 1.967 2.212 3.318 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . rr_6mk8 1
. 3 . 547 . 1 1 8 LEU HB3 H 0.324 2.455 2.733 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . rr_6mk8 1
. 3 . 548 . 1 1 8 LEU HD11 H 1.929 0.148 4.980 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . rr_6mk8 1
. 3 . 549 . 1 1 8 LEU HD12 H 2.907 0.071 3.516 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . rr_6mk8 1
. 3 . 550 . 1 1 8 LEU HD13 H 1.875 -1.288 3.958 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . rr_6mk8 1
. 3 . 551 . 1 1 8 LEU HD21 H -0.747 -0.525 4.321 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . rr_6mk8 1
. 3 . 552 . 1 1 8 LEU HD22 H -1.234 0.970 3.524 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . rr_6mk8 1
. 3 . 553 . 1 1 8 LEU HD23 H -0.200 1.030 4.950 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . rr_6mk8 1
. 3 . 554 . 1 1 8 LEU HG H 0.598 -0.228 2.305 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . rr_6mk8 1
. 3 . 555 . 1 1 8 LEU N N 0.579 1.603 0.307 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . rr_6mk8 1
. 3 . 556 . 1 1 8 LEU O O 3.903 0.823 1.339 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . rr_6mk8 1
. 3 . 557 . 1 1 9 GLY C C 4.188 -1.400 -0.614 . . . 1.0 . . . . . . . . . . . . A . 9 GLY C . . . . . . . . . rr_6mk8 1
. 3 . 558 . 1 1 9 GLY CA C 3.114 -1.669 0.436 . . . 1.0 . . . . . . . . . . . . A . 9 GLY CA . . . . . . . . . rr_6mk8 1
. 3 . 559 . 1 1 9 GLY H H 1.292 -0.598 0.430 . . . 1.0 . . . . . . . . . . . . A . 9 GLY H . . . . . . . . . rr_6mk8 1
. 3 . 560 . 1 1 9 GLY HA2 H 3.592 -1.908 1.375 . . . 1.0 . . . . . . . . . . . . A . 9 GLY HA2 . . . . . . . . . rr_6mk8 1
. 3 . 561 . 1 1 9 GLY HA3 H 2.518 -2.512 0.119 . . . 1.0 . . . . . . . . . . . . A . 9 GLY HA3 . . . . . . . . . rr_6mk8 1
. 3 . 562 . 1 1 9 GLY N N 2.244 -0.514 0.624 . . . 1.0 . . . . . . . . . . . . A . 9 GLY N . . . . . . . . . rr_6mk8 1
. 3 . 563 . 1 1 9 GLY O O 5.363 -1.692 -0.396 . . . 1.0 . . . . . . . . . . . . A . 9 GLY O . . . . . . . . . rr_6mk8 1
. 3 . 564 . 1 1 10 LEU C C 5.616 0.623 -2.460 . . . 1.0 . . . . . . . . . . . . A . 10 LEU C . . . . . . . . . rr_6mk8 1
. 3 . 565 . 1 1 10 LEU CA C 4.738 -0.569 -2.824 . . . 1.0 . . . . . . . . . . . . A . 10 LEU CA . . . . . . . . . rr_6mk8 1
. 3 . 566 . 1 1 10 LEU CB C 3.997 -0.305 -4.143 . . . 1.0 . . . . . . . . . . . . A . 10 LEU CB . . . . . . . . . rr_6mk8 1
. 3 . 567 . 1 1 10 LEU CD1 C 4.337 2.059 -4.933 . . . 1.0 . . . . . . . . . . . . A . 10 LEU CD1 . . . . . . . . . rr_6mk8 1
. 3 . 568 . 1 1 10 LEU CD2 C 2.034 1.097 -4.836 . . . 1.0 . . . . . . . . . . . . A . 10 LEU CD2 . . . . . . . . . rr_6mk8 1
. 3 . 569 . 1 1 10 LEU CG C 3.408 1.117 -4.157 . . . 1.0 . . . . . . . . . . . . A . 10 LEU CG . . . . . . . . . rr_6mk8 1
. 3 . 570 . 1 1 10 LEU H H 2.835 -0.646 -1.885 . . . 1.0 . . . . . . . . . . . . A . 10 LEU H . . . . . . . . . rr_6mk8 1
. 3 . 571 . 1 1 10 LEU HA H 5.372 -1.432 -2.952 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HA . . . . . . . . . rr_6mk8 1
. 3 . 572 . 1 1 10 LEU HB2 H 4.688 -0.418 -4.967 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HB2 . . . . . . . . . rr_6mk8 1
. 3 . 573 . 1 1 10 LEU HB3 H 3.200 -1.026 -4.250 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HB3 . . . . . . . . . rr_6mk8 1
. 3 . 574 . 1 1 10 LEU HD11 H 4.116 3.083 -4.668 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HD11 . . . . . . . . . rr_6mk8 1
. 3 . 575 . 1 1 10 LEU HD12 H 4.185 1.922 -5.994 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HD12 . . . . . . . . . rr_6mk8 1
. 3 . 576 . 1 1 10 LEU HD13 H 5.364 1.837 -4.688 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HD13 . . . . . . . . . rr_6mk8 1
. 3 . 577 . 1 1 10 LEU HD21 H 2.144 0.771 -5.860 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HD21 . . . . . . . . . rr_6mk8 1
. 3 . 578 . 1 1 10 LEU HD22 H 1.608 2.090 -4.819 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HD22 . . . . . . . . . rr_6mk8 1
. 3 . 579 . 1 1 10 LEU HD23 H 1.381 0.417 -4.309 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HD23 . . . . . . . . . rr_6mk8 1
. 3 . 580 . 1 1 10 LEU HG H 3.300 1.476 -3.143 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HG . . . . . . . . . rr_6mk8 1
. 3 . 581 . 1 1 10 LEU N N 3.784 -0.853 -1.757 . . . 1.0 . . . . . . . . . . . . A . 10 LEU N . . . . . . . . . rr_6mk8 1
. 3 . 582 . 1 1 10 LEU O O 6.728 0.762 -2.969 . . . 1.0 . . . . . . . . . . . . A . 10 LEU O . . . . . . . . . rr_6mk8 1
. 3 . 583 . 1 1 11 LYS C C 7.157 2.194 -0.452 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . rr_6mk8 1
. 3 . 584 . 1 1 11 LYS CA C 5.879 2.644 -1.153 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . rr_6mk8 1
. 3 . 585 . 1 1 11 LYS CB C 5.024 3.520 -0.218 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . rr_6mk8 1
. 3 . 586 . 1 1 11 LYS CD C 6.761 5.341 -0.052 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . rr_6mk8 1
. 3 . 587 . 1 1 11 LYS CE C 7.953 5.782 0.802 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . rr_6mk8 1
. 3 . 588 . 1 1 11 LYS CG C 5.904 4.344 0.738 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . rr_6mk8 1
. 3 . 589 . 1 1 11 LYS H H 4.228 1.317 -1.195 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . rr_6mk8 1
. 3 . 590 . 1 1 11 LYS HA H 6.144 3.218 -2.029 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . rr_6mk8 1
. 3 . 591 . 1 1 11 LYS HB2 H 4.423 4.191 -0.813 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . rr_6mk8 1
. 3 . 592 . 1 1 11 LYS HB3 H 4.373 2.883 0.361 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . rr_6mk8 1
. 3 . 593 . 1 1 11 LYS HD2 H 7.121 4.878 -0.957 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . rr_6mk8 1
. 3 . 594 . 1 1 11 LYS HD3 H 6.165 6.205 -0.304 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . rr_6mk8 1
. 3 . 595 . 1 1 11 LYS HE2 H 8.384 6.680 0.381 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . rr_6mk8 1
. 3 . 596 . 1 1 11 LYS HE3 H 7.621 5.980 1.810 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . rr_6mk8 1
. 3 . 597 . 1 1 11 LYS HG2 H 5.269 4.889 1.421 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . rr_6mk8 1
. 3 . 598 . 1 1 11 LYS HG3 H 6.546 3.685 1.303 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . rr_6mk8 1
. 3 . 599 . 1 1 11 LYS HZ1 H 9.218 4.431 -0.156 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . rr_6mk8 1
. 3 . 600 . 1 1 11 LYS HZ2 H 8.604 3.875 1.328 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ2 . . . . . . . . . rr_6mk8 1
. 3 . 601 . 1 1 11 LYS HZ3 H 9.837 5.043 1.300 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ3 . . . . . . . . . rr_6mk8 1
. 3 . 602 . 1 1 11 LYS N N 5.117 1.477 -1.574 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . rr_6mk8 1
. 3 . 603 . 1 1 11 LYS NZ N 8.980 4.702 0.820 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . rr_6mk8 1
. 3 . 604 . 1 1 11 LYS O O 8.181 2.875 -0.512 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . rr_6mk8 1
. 3 . 605 . 1 1 12 LEU C C 9.400 0.283 -0.069 . . . 1.0 . . . . . . . . . . . . A . 12 LEU C . . . . . . . . . rr_6mk8 1
. 3 . 606 . 1 1 12 LEU CA C 8.259 0.523 0.916 . . . 1.0 . . . . . . . . . . . . A . 12 LEU CA . . . . . . . . . rr_6mk8 1
. 3 . 607 . 1 1 12 LEU CB C 7.900 -0.791 1.629 . . . 1.0 . . . . . . . . . . . . A . 12 LEU CB . . . . . . . . . rr_6mk8 1
. 3 . 608 . 1 1 12 LEU CD1 C 8.733 -0.286 3.949 . . . 1.0 . . . . . . . . . . . . A . 12 LEU CD1 . . . . . . . . . rr_6mk8 1
. 3 . 609 . 1 1 12 LEU CD2 C 6.562 0.695 3.172 . . . 1.0 . . . . . . . . . . . . A . 12 LEU CD2 . . . . . . . . . rr_6mk8 1
. 3 . 610 . 1 1 12 LEU CG C 7.488 -0.528 3.089 . . . 1.0 . . . . . . . . . . . . A . 12 LEU CG . . . . . . . . . rr_6mk8 1
. 3 . 611 . 1 1 12 LEU H H 6.247 0.537 0.227 . . . 1.0 . . . . . . . . . . . . A . 12 LEU H . . . . . . . . . rr_6mk8 1
. 3 . 612 . 1 1 12 LEU HA H 8.579 1.248 1.645 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HA . . . . . . . . . rr_6mk8 1
. 3 . 613 . 1 1 12 LEU HB2 H 7.079 -1.262 1.109 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HB2 . . . . . . . . . rr_6mk8 1
. 3 . 614 . 1 1 12 LEU HB3 H 8.753 -1.453 1.614 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HB3 . . . . . . . . . rr_6mk8 1
. 3 . 615 . 1 1 12 LEU HD11 H 9.488 -1.022 3.712 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD11 . . . . . . . . . rr_6mk8 1
. 3 . 616 . 1 1 12 LEU HD12 H 8.469 -0.370 4.993 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD12 . . . . . . . . . rr_6mk8 1
. 3 . 617 . 1 1 12 LEU HD13 H 9.122 0.702 3.757 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD13 . . . . . . . . . rr_6mk8 1
. 3 . 618 . 1 1 12 LEU HD21 H 5.873 0.566 3.994 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD21 . . . . . . . . . rr_6mk8 1
. 3 . 619 . 1 1 12 LEU HD22 H 6.005 0.792 2.253 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD22 . . . . . . . . . rr_6mk8 1
. 3 . 620 . 1 1 12 LEU HD23 H 7.147 1.588 3.333 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD23 . . . . . . . . . rr_6mk8 1
. 3 . 621 . 1 1 12 LEU HG H 6.964 -1.395 3.464 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HG . . . . . . . . . rr_6mk8 1
. 3 . 622 . 1 1 12 LEU N N 7.092 1.044 0.211 . . . 1.0 . . . . . . . . . . . . A . 12 LEU N . . . . . . . . . rr_6mk8 1
. 3 . 623 . 1 1 12 LEU O O 10.494 0.821 0.093 . . . 1.0 . . . . . . . . . . . . A . 12 LEU O . . . . . . . . . rr_6mk8 1
. 3 . 624 . 1 1 13 LEU C C 9.486 -1.056 -3.458 . . . 1.0 . . . . . . . . . . . . A . 13 LEU C . . . . . . . . . rr_6mk8 1
. 3 . 625 . 1 1 13 LEU CA C 10.144 -0.827 -2.102 . . . 1.0 . . . . . . . . . . . . A . 13 LEU CA . . . . . . . . . rr_6mk8 1
. 3 . 626 . 1 1 13 LEU CB C 10.936 -2.079 -1.703 . . . 1.0 . . . . . . . . . . . . A . 13 LEU CB . . . . . . . . . rr_6mk8 1
. 3 . 627 . 1 1 13 LEU CD1 C 12.577 -3.047 -0.088 . . . 1.0 . . . . . . . . . . . . A . 13 LEU CD1 . . . . . . . . . rr_6mk8 1
. 3 . 628 . 1 1 13 LEU CD2 C 12.946 -0.741 -0.990 . . . 1.0 . . . . . . . . . . . . A . 13 LEU CD2 . . . . . . . . . rr_6mk8 1
. 3 . 629 . 1 1 13 LEU CG C 11.886 -1.760 -0.540 . . . 1.0 . . . . . . . . . . . . A . 13 LEU CG . . . . . . . . . rr_6mk8 1
. 3 . 630 . 1 1 13 LEU H H 8.242 -0.922 -1.171 . . . 1.0 . . . . . . . . . . . . A . 13 LEU H . . . . . . . . . rr_6mk8 1
. 3 . 631 . 1 1 13 LEU HA H 10.823 0.007 -2.183 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HA . . . . . . . . . rr_6mk8 1
. 3 . 632 . 1 1 13 LEU HB2 H 10.247 -2.854 -1.399 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HB2 . . . . . . . . . rr_6mk8 1
. 3 . 633 . 1 1 13 LEU HB3 H 11.510 -2.423 -2.549 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HB3 . . . . . . . . . rr_6mk8 1
. 3 . 634 . 1 1 13 LEU HD11 H 11.844 -3.722 0.331 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HD11 . . . . . . . . . rr_6mk8 1
. 3 . 635 . 1 1 13 LEU HD12 H 13.319 -2.813 0.660 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HD12 . . . . . . . . . rr_6mk8 1
. 3 . 636 . 1 1 13 LEU HD13 H 13.056 -3.516 -0.935 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HD13 . . . . . . . . . rr_6mk8 1
. 3 . 637 . 1 1 13 LEU HD21 H 13.866 -0.915 -0.450 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HD21 . . . . . . . . . rr_6mk8 1
. 3 . 638 . 1 1 13 LEU HD22 H 12.595 0.258 -0.782 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HD22 . . . . . . . . . rr_6mk8 1
. 3 . 639 . 1 1 13 LEU HD23 H 13.126 -0.846 -2.050 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HD23 . . . . . . . . . rr_6mk8 1
. 3 . 640 . 1 1 13 LEU HG H 11.320 -1.353 0.284 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HG . . . . . . . . . rr_6mk8 1
. 3 . 641 . 1 1 13 LEU N N 9.134 -0.525 -1.091 . . . 1.0 . . . . . . . . . . . . A . 13 LEU N . . . . . . . . . rr_6mk8 1
. 3 . 642 . 1 1 13 LEU O O 9.975 -0.574 -4.480 . . . 1.0 . . . . . . . . . . . . A . 13 LEU O . . . . . . . . . rr_6mk8 1
. 3 . 643 . 1 1 14 NH2 HN1 H 7.966 -1.924 -4.396 . . . 1.0 . . . . . . . . . . . . A . 14 NH2 HN1 . . . . . . . . . rr_6mk8 1
. 3 . 644 . 1 1 14 NH2 HN2 H 8.006 -2.153 -2.714 . . . 1.0 . . . . . . . . . . . . A . 14 NH2 HN2 . . . . . . . . . rr_6mk8 1
. 3 . 645 . 1 1 14 NH2 N N 8.395 -1.770 -3.528 . . . 1.0 . . . . . . . . . . . . A . 14 NH2 N . . . . . . . . . rr_6mk8 1
. 4 . 646 . 1 1 1 GLY C C -9.392 0.381 1.011 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . rr_6mk8 1
. 4 . 647 . 1 1 1 GLY CA C -10.611 1.293 0.935 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . rr_6mk8 1
. 4 . 648 . 1 1 1 GLY H1 H -11.975 0.605 -0.480 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . rr_6mk8 1
. 4 . 649 . 1 1 1 GLY H2 H -12.638 0.834 1.068 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . rr_6mk8 1
. 4 . 650 . 1 1 1 GLY H3 H -11.642 -0.507 0.756 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . rr_6mk8 1
. 4 . 651 . 1 1 1 GLY HA2 H -10.437 2.068 0.202 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . rr_6mk8 1
. 4 . 652 . 1 1 1 GLY HA3 H -10.780 1.742 1.902 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . rr_6mk8 1
. 4 . 653 . 1 1 1 GLY N N -11.806 0.496 0.540 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . rr_6mk8 1
. 4 . 654 . 1 1 1 GLY O O -8.266 0.809 0.760 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . rr_6mk8 1
. 4 . 655 . 1 1 2 LEU C C -7.697 -1.850 0.192 . . . 1.0 . . . . . . . . . . . . A . 2 LEU C . . . . . . . . . rr_6mk8 1
. 4 . 656 . 1 1 2 LEU CA C -8.537 -1.847 1.465 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CA . . . . . . . . . rr_6mk8 1
. 4 . 657 . 1 1 2 LEU CB C -9.105 -3.250 1.711 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CB . . . . . . . . . rr_6mk8 1
. 4 . 658 . 1 1 2 LEU CD1 C -9.369 -4.554 -0.422 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD1 . . . . . . . . . rr_6mk8 1
. 4 . 659 . 1 1 2 LEU CD2 C -11.286 -4.364 1.163 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD2 . . . . . . . . . rr_6mk8 1
. 4 . 660 . 1 1 2 LEU CG C -10.074 -3.633 0.578 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CG . . . . . . . . . rr_6mk8 1
. 4 . 661 . 1 1 2 LEU H H -10.542 -1.167 1.547 . . . 1.0 . . . . . . . . . . . . A . 2 LEU H . . . . . . . . . rr_6mk8 1
. 4 . 662 . 1 1 2 LEU HA H -7.908 -1.576 2.299 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HA . . . . . . . . . rr_6mk8 1
. 4 . 663 . 1 1 2 LEU HB2 H -8.293 -3.961 1.754 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB2 . . . . . . . . . rr_6mk8 1
. 4 . 664 . 1 1 2 LEU HB3 H -9.634 -3.256 2.654 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB3 . . . . . . . . . rr_6mk8 1
. 4 . 665 . 1 1 2 LEU HD11 H -9.002 -5.430 0.092 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD11 . . . . . . . . . rr_6mk8 1
. 4 . 666 . 1 1 2 LEU HD12 H -8.542 -4.030 -0.877 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD12 . . . . . . . . . rr_6mk8 1
. 4 . 667 . 1 1 2 LEU HD13 H -10.068 -4.855 -1.188 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD13 . . . . . . . . . rr_6mk8 1
. 4 . 668 . 1 1 2 LEU HD21 H -11.823 -3.700 1.824 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD21 . . . . . . . . . rr_6mk8 1
. 4 . 669 . 1 1 2 LEU HD22 H -10.952 -5.230 1.716 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD22 . . . . . . . . . rr_6mk8 1
. 4 . 670 . 1 1 2 LEU HD23 H -11.938 -4.679 0.362 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD23 . . . . . . . . . rr_6mk8 1
. 4 . 671 . 1 1 2 LEU HG H -10.406 -2.740 0.067 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HG . . . . . . . . . rr_6mk8 1
. 4 . 672 . 1 1 2 LEU N N -9.625 -0.881 1.358 . . . 1.0 . . . . . . . . . . . . A . 2 LEU N . . . . . . . . . rr_6mk8 1
. 4 . 673 . 1 1 2 LEU O O -6.590 -2.389 0.169 . . . 1.0 . . . . . . . . . . . . A . 2 LEU O . . . . . . . . . rr_6mk8 1
. 4 . 674 . 1 1 3 SER C C -6.301 -0.273 -2.028 . . . 1.0 . . . . . . . . . . . . A . 3 SER C . . . . . . . . . rr_6mk8 1
. 4 . 675 . 1 1 3 SER CA C -7.520 -1.184 -2.137 . . . 1.0 . . . . . . . . . . . . A . 3 SER CA . . . . . . . . . rr_6mk8 1
. 4 . 676 . 1 1 3 SER CB C -8.452 -0.662 -3.231 . . . 1.0 . . . . . . . . . . . . A . 3 SER CB . . . . . . . . . rr_6mk8 1
. 4 . 677 . 1 1 3 SER H H -9.116 -0.833 -0.787 . . . 1.0 . . . . . . . . . . . . A . 3 SER H . . . . . . . . . rr_6mk8 1
. 4 . 678 . 1 1 3 SER HA H -7.193 -2.177 -2.404 . . . 1.0 . . . . . . . . . . . . A . 3 SER HA . . . . . . . . . rr_6mk8 1
. 4 . 679 . 1 1 3 SER HB2 H -7.899 -0.523 -4.143 . . . 1.0 . . . . . . . . . . . . A . 3 SER HB2 . . . . . . . . . rr_6mk8 1
. 4 . 680 . 1 1 3 SER HB3 H -9.245 -1.379 -3.398 . . . 1.0 . . . . . . . . . . . . A . 3 SER HB3 . . . . . . . . . rr_6mk8 1
. 4 . 681 . 1 1 3 SER HG H -9.128 0.556 -1.871 . . . 1.0 . . . . . . . . . . . . A . 3 SER HG . . . . . . . . . rr_6mk8 1
. 4 . 682 . 1 1 3 SER N N -8.229 -1.245 -0.865 . . . 1.0 . . . . . . . . . . . . A . 3 SER N . . . . . . . . . rr_6mk8 1
. 4 . 683 . 1 1 3 SER O O -5.277 -0.511 -2.668 . . . 1.0 . . . . . . . . . . . . A . 3 SER O . . . . . . . . . rr_6mk8 1
. 4 . 684 . 1 1 3 SER OG O -9.003 0.584 -2.823 . . . 1.0 . . . . . . . . . . . . A . 3 SER OG . . . . . . . . . rr_6mk8 1
. 4 . 685 . 1 1 4 LEU C C -4.234 1.109 -0.145 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . rr_6mk8 1
. 4 . 686 . 1 1 4 LEU CA C -5.319 1.714 -1.035 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . rr_6mk8 1
. 4 . 687 . 1 1 4 LEU CB C -5.840 3.008 -0.402 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . rr_6mk8 1
. 4 . 688 . 1 1 4 LEU CD1 C -7.634 3.026 -2.145 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . rr_6mk8 1
. 4 . 689 . 1 1 4 LEU CD2 C -7.172 5.082 -0.802 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . rr_6mk8 1
. 4 . 690 . 1 1 4 LEU CG C -6.541 3.855 -1.465 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . rr_6mk8 1
. 4 . 691 . 1 1 4 LEU H H -7.259 0.915 -0.734 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . rr_6mk8 1
. 4 . 692 . 1 1 4 LEU HA H -4.891 1.945 -1.998 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . rr_6mk8 1
. 4 . 693 . 1 1 4 LEU HB2 H -6.539 2.768 0.386 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . rr_6mk8 1
. 4 . 694 . 1 1 4 LEU HB3 H -5.012 3.566 0.010 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . rr_6mk8 1
. 4 . 695 . 1 1 4 LEU HD11 H -8.319 3.683 -2.660 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . rr_6mk8 1
. 4 . 696 . 1 1 4 LEU HD12 H -8.172 2.458 -1.401 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . rr_6mk8 1
. 4 . 697 . 1 1 4 LEU HD13 H -7.181 2.351 -2.857 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . rr_6mk8 1
. 4 . 698 . 1 1 4 LEU HD21 H -7.518 5.765 -1.563 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . rr_6mk8 1
. 4 . 699 . 1 1 4 LEU HD22 H -6.436 5.575 -0.184 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . rr_6mk8 1
. 4 . 700 . 1 1 4 LEU HD23 H -8.006 4.772 -0.190 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . rr_6mk8 1
. 4 . 701 . 1 1 4 LEU HG H -5.820 4.175 -2.204 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . rr_6mk8 1
. 4 . 702 . 1 1 4 LEU N N -6.419 0.773 -1.217 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . rr_6mk8 1
. 4 . 703 . 1 1 4 LEU O O -3.075 1.519 -0.200 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . rr_6mk8 1
. 4 . 704 . 1 1 5 LEU C C -2.467 -1.036 0.823 . . . 1.0 . . . . . . . . . . . . A . 5 LEU C . . . . . . . . . rr_6mk8 1
. 4 . 705 . 1 1 5 LEU CA C -3.678 -0.507 1.583 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CA . . . . . . . . . rr_6mk8 1
. 4 . 706 . 1 1 5 LEU CB C -4.367 -1.662 2.318 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CB . . . . . . . . . rr_6mk8 1
. 4 . 707 . 1 1 5 LEU CD1 C -4.029 -1.170 4.756 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD1 . . . . . . . . . rr_6mk8 1
. 4 . 708 . 1 1 5 LEU CD2 C -3.797 -3.509 3.911 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD2 . . . . . . . . . rr_6mk8 1
. 4 . 709 . 1 1 5 LEU CG C -3.568 -2.031 3.576 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CG . . . . . . . . . rr_6mk8 1
. 4 . 710 . 1 1 5 LEU H H -5.561 -0.139 0.683 . . . 1.0 . . . . . . . . . . . . A . 5 LEU H . . . . . . . . . rr_6mk8 1
. 4 . 711 . 1 1 5 LEU HA H -3.341 0.217 2.310 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HA . . . . . . . . . rr_6mk8 1
. 4 . 712 . 1 1 5 LEU HB2 H -5.367 -1.362 2.598 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB2 . . . . . . . . . rr_6mk8 1
. 4 . 713 . 1 1 5 LEU HB3 H -4.422 -2.519 1.663 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB3 . . . . . . . . . rr_6mk8 1
. 4 . 714 . 1 1 5 LEU HD11 H -3.299 -1.225 5.549 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD11 . . . . . . . . . rr_6mk8 1
. 4 . 715 . 1 1 5 LEU HD12 H -4.981 -1.532 5.116 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD12 . . . . . . . . . rr_6mk8 1
. 4 . 716 . 1 1 5 LEU HD13 H -4.133 -0.144 4.435 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD13 . . . . . . . . . rr_6mk8 1
. 4 . 717 . 1 1 5 LEU HD21 H -4.857 -3.708 3.955 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD21 . . . . . . . . . rr_6mk8 1
. 4 . 718 . 1 1 5 LEU HD22 H -3.348 -3.734 4.868 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD22 . . . . . . . . . rr_6mk8 1
. 4 . 719 . 1 1 5 LEU HD23 H -3.346 -4.125 3.148 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD23 . . . . . . . . . rr_6mk8 1
. 4 . 720 . 1 1 5 LEU HG H -2.515 -1.861 3.398 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HG . . . . . . . . . rr_6mk8 1
. 4 . 721 . 1 1 5 LEU N N -4.622 0.141 0.679 . . . 1.0 . . . . . . . . . . . . A . 5 LEU N . . . . . . . . . rr_6mk8 1
. 4 . 722 . 1 1 5 LEU O O -1.350 -1.036 1.341 . . . 1.0 . . . . . . . . . . . . A . 5 LEU O . . . . . . . . . rr_6mk8 1
. 4 . 723 . 1 1 6 LEU C C -0.711 -0.869 -1.714 . . . 1.0 . . . . . . . . . . . . A . 6 LEU C . . . . . . . . . rr_6mk8 1
. 4 . 724 . 1 1 6 LEU CA C -1.595 -2.009 -1.216 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CA . . . . . . . . . rr_6mk8 1
. 4 . 725 . 1 1 6 LEU CB C -2.148 -2.806 -2.405 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CB . . . . . . . . . rr_6mk8 1
. 4 . 726 . 1 1 6 LEU CD1 C -1.780 -1.604 -4.584 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD1 . . . . . . . . . rr_6mk8 1
. 4 . 727 . 1 1 6 LEU CD2 C -4.048 -2.481 -4.015 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD2 . . . . . . . . . rr_6mk8 1
. 4 . 728 . 1 1 6 LEU CG C -2.771 -1.854 -3.442 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CG . . . . . . . . . rr_6mk8 1
. 4 . 729 . 1 1 6 LEU H H -3.596 -1.465 -0.772 . . . 1.0 . . . . . . . . . . . . A . 6 LEU H . . . . . . . . . rr_6mk8 1
. 4 . 730 . 1 1 6 LEU HA H -0.997 -2.669 -0.605 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HA . . . . . . . . . rr_6mk8 1
. 4 . 731 . 1 1 6 LEU HB2 H -1.344 -3.365 -2.863 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB2 . . . . . . . . . rr_6mk8 1
. 4 . 732 . 1 1 6 LEU HB3 H -2.902 -3.494 -2.050 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB3 . . . . . . . . . rr_6mk8 1
. 4 . 733 . 1 1 6 LEU HD11 H -2.055 -0.700 -5.108 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD11 . . . . . . . . . rr_6mk8 1
. 4 . 734 . 1 1 6 LEU HD12 H -1.801 -2.437 -5.270 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD12 . . . . . . . . . rr_6mk8 1
. 4 . 735 . 1 1 6 LEU HD13 H -0.784 -1.497 -4.183 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD13 . . . . . . . . . rr_6mk8 1
. 4 . 736 . 1 1 6 LEU HD21 H -4.515 -1.786 -4.698 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD21 . . . . . . . . . rr_6mk8 1
. 4 . 737 . 1 1 6 LEU HD22 H -4.732 -2.709 -3.211 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD22 . . . . . . . . . rr_6mk8 1
. 4 . 738 . 1 1 6 LEU HD23 H -3.797 -3.389 -4.542 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD23 . . . . . . . . . rr_6mk8 1
. 4 . 739 . 1 1 6 LEU HG H -3.015 -0.913 -2.969 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HG . . . . . . . . . rr_6mk8 1
. 4 . 740 . 1 1 6 LEU N N -2.688 -1.486 -0.405 . . . 1.0 . . . . . . . . . . . . A . 6 LEU N . . . . . . . . . rr_6mk8 1
. 4 . 741 . 1 1 6 LEU O O 0.481 -1.057 -1.954 . . . 1.0 . . . . . . . . . . . . A . 6 LEU O . . . . . . . . . rr_6mk8 1
. 4 . 742 . 1 1 7 SER C C 0.571 1.845 -1.410 . . . 1.0 . . . . . . . . . . . . A . 7 SER C . . . . . . . . . rr_6mk8 1
. 4 . 743 . 1 1 7 SER CA C -0.572 1.477 -2.356 . . . 1.0 . . . . . . . . . . . . A . 7 SER CA . . . . . . . . . rr_6mk8 1
. 4 . 744 . 1 1 7 SER CB C -1.522 2.667 -2.492 . . . 1.0 . . . . . . . . . . . . A . 7 SER CB . . . . . . . . . rr_6mk8 1
. 4 . 745 . 1 1 7 SER H H -2.262 0.395 -1.671 . . . 1.0 . . . . . . . . . . . . A . 7 SER H . . . . . . . . . rr_6mk8 1
. 4 . 746 . 1 1 7 SER HA H -0.161 1.252 -3.327 . . . 1.0 . . . . . . . . . . . . A . 7 SER HA . . . . . . . . . rr_6mk8 1
. 4 . 747 . 1 1 7 SER HB2 H -2.405 2.366 -3.029 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB2 . . . . . . . . . rr_6mk8 1
. 4 . 748 . 1 1 7 SER HB3 H -1.804 3.015 -1.507 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB3 . . . . . . . . . rr_6mk8 1
. 4 . 749 . 1 1 7 SER HG H -1.479 4.448 -3.274 . . . 1.0 . . . . . . . . . . . . A . 7 SER HG . . . . . . . . . rr_6mk8 1
. 4 . 750 . 1 1 7 SER N N -1.307 0.310 -1.874 . . . 1.0 . . . . . . . . . . . . A . 7 SER N . . . . . . . . . rr_6mk8 1
. 4 . 751 . 1 1 7 SER O O 1.721 1.957 -1.832 . . . 1.0 . . . . . . . . . . . . A . 7 SER O . . . . . . . . . rr_6mk8 1
. 4 . 752 . 1 1 7 SER OG O -0.870 3.709 -3.207 . . . 1.0 . . . . . . . . . . . . A . 7 SER OG . . . . . . . . . rr_6mk8 1
. 4 . 753 . 1 1 8 LEU C C 2.342 1.308 0.930 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . rr_6mk8 1
. 4 . 754 . 1 1 8 LEU CA C 1.271 2.395 0.848 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . rr_6mk8 1
. 4 . 755 . 1 1 8 LEU CB C 0.651 2.624 2.242 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . rr_6mk8 1
. 4 . 756 . 1 1 8 LEU CD1 C -1.058 1.628 3.777 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . rr_6mk8 1
. 4 . 757 . 1 1 8 LEU CD2 C -1.793 2.995 1.822 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . rr_6mk8 1
. 4 . 758 . 1 1 8 LEU CG C -0.747 1.994 2.323 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . rr_6mk8 1
. 4 . 759 . 1 1 8 LEU H H -0.682 1.936 0.151 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . rr_6mk8 1
. 4 . 760 . 1 1 8 LEU HA H 1.744 3.313 0.527 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . rr_6mk8 1
. 4 . 761 . 1 1 8 LEU HB2 H 1.287 2.180 2.995 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . rr_6mk8 1
. 4 . 762 . 1 1 8 LEU HB3 H 0.573 3.687 2.427 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . rr_6mk8 1
. 4 . 763 . 1 1 8 LEU HD11 H -0.503 0.743 4.052 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . rr_6mk8 1
. 4 . 764 . 1 1 8 LEU HD12 H -2.116 1.436 3.883 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . rr_6mk8 1
. 4 . 765 . 1 1 8 LEU HD13 H -0.775 2.446 4.422 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . rr_6mk8 1
. 4 . 766 . 1 1 8 LEU HD21 H -2.774 2.546 1.872 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . rr_6mk8 1
. 4 . 767 . 1 1 8 LEU HD22 H -1.574 3.269 0.802 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . rr_6mk8 1
. 4 . 768 . 1 1 8 LEU HD23 H -1.771 3.878 2.444 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . rr_6mk8 1
. 4 . 769 . 1 1 8 LEU HG H -0.778 1.101 1.717 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . rr_6mk8 1
. 4 . 770 . 1 1 8 LEU N N 0.251 2.035 -0.134 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . rr_6mk8 1
. 4 . 771 . 1 1 8 LEU O O 3.485 1.580 1.286 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . rr_6mk8 1
. 4 . 772 . 1 1 9 GLY C C 3.965 -0.928 -0.422 . . . 1.0 . . . . . . . . . . . . A . 9 GLY C . . . . . . . . . rr_6mk8 1
. 4 . 773 . 1 1 9 GLY CA C 2.895 -1.040 0.661 . . . 1.0 . . . . . . . . . . . . A . 9 GLY CA . . . . . . . . . rr_6mk8 1
. 4 . 774 . 1 1 9 GLY H H 1.036 -0.081 0.341 . . . 1.0 . . . . . . . . . . . . A . 9 GLY H . . . . . . . . . rr_6mk8 1
. 4 . 775 . 1 1 9 GLY HA2 H 3.372 -1.056 1.630 . . . 1.0 . . . . . . . . . . . . A . 9 GLY HA2 . . . . . . . . . rr_6mk8 1
. 4 . 776 . 1 1 9 GLY HA3 H 2.348 -1.961 0.521 . . . 1.0 . . . . . . . . . . . . A . 9 GLY HA3 . . . . . . . . . rr_6mk8 1
. 4 . 777 . 1 1 9 GLY N N 1.961 0.079 0.611 . . . 1.0 . . . . . . . . . . . . A . 9 GLY N . . . . . . . . . rr_6mk8 1
. 4 . 778 . 1 1 9 GLY O O 5.085 -1.404 -0.243 . . . 1.0 . . . . . . . . . . . . A . 9 GLY O . . . . . . . . . rr_6mk8 1
. 4 . 779 . 1 1 10 LEU C C 5.799 0.626 -2.205 . . . 1.0 . . . . . . . . . . . . A . 10 LEU C . . . . . . . . . rr_6mk8 1
. 4 . 780 . 1 1 10 LEU CA C 4.571 -0.163 -2.645 . . . 1.0 . . . . . . . . . . . . A . 10 LEU CA . . . . . . . . . rr_6mk8 1
. 4 . 781 . 1 1 10 LEU CB C 3.914 0.544 -3.832 . . . 1.0 . . . . . . . . . . . . A . 10 LEU CB . . . . . . . . . rr_6mk8 1
. 4 . 782 . 1 1 10 LEU CD1 C 1.967 0.519 -5.395 . . . 1.0 . . . . . . . . . . . . A . 10 LEU CD1 . . . . . . . . . rr_6mk8 1
. 4 . 783 . 1 1 10 LEU CD2 C 2.685 -1.591 -4.267 . . . 1.0 . . . . . . . . . . . . A . 10 LEU CD2 . . . . . . . . . rr_6mk8 1
. 4 . 784 . 1 1 10 LEU CG C 2.543 -0.074 -4.109 . . . 1.0 . . . . . . . . . . . . A . 10 LEU CG . . . . . . . . . rr_6mk8 1
. 4 . 785 . 1 1 10 LEU H H 2.710 0.047 -1.642 . . . 1.0 . . . . . . . . . . . . A . 10 LEU H . . . . . . . . . rr_6mk8 1
. 4 . 786 . 1 1 10 LEU HA H 4.891 -1.143 -2.956 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HA . . . . . . . . . rr_6mk8 1
. 4 . 787 . 1 1 10 LEU HB2 H 3.796 1.594 -3.605 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HB2 . . . . . . . . . rr_6mk8 1
. 4 . 788 . 1 1 10 LEU HB3 H 4.539 0.435 -4.706 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HB3 . . . . . . . . . rr_6mk8 1
. 4 . 789 . 1 1 10 LEU HD11 H 0.993 0.092 -5.584 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HD11 . . . . . . . . . rr_6mk8 1
. 4 . 790 . 1 1 10 LEU HD12 H 2.624 0.296 -6.222 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HD12 . . . . . . . . . rr_6mk8 1
. 4 . 791 . 1 1 10 LEU HD13 H 1.875 1.590 -5.288 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HD13 . . . . . . . . . rr_6mk8 1
. 4 . 792 . 1 1 10 LEU HD21 H 1.813 -1.986 -4.767 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HD21 . . . . . . . . . rr_6mk8 1
. 4 . 793 . 1 1 10 LEU HD22 H 2.777 -2.048 -3.293 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HD22 . . . . . . . . . rr_6mk8 1
. 4 . 794 . 1 1 10 LEU HD23 H 3.566 -1.812 -4.853 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HD23 . . . . . . . . . rr_6mk8 1
. 4 . 795 . 1 1 10 LEU HG H 1.882 0.143 -3.286 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HG . . . . . . . . . rr_6mk8 1
. 4 . 796 . 1 1 10 LEU N N 3.618 -0.309 -1.547 . . . 1.0 . . . . . . . . . . . . A . 10 LEU N . . . . . . . . . rr_6mk8 1
. 4 . 797 . 1 1 10 LEU O O 6.927 0.148 -2.320 . . . 1.0 . . . . . . . . . . . . A . 10 LEU O . . . . . . . . . rr_6mk8 1
. 4 . 798 . 1 1 11 LYS C C 7.582 1.889 -0.304 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . rr_6mk8 1
. 4 . 799 . 1 1 11 LYS CA C 6.681 2.669 -1.255 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . rr_6mk8 1
. 4 . 800 . 1 1 11 LYS CB C 6.152 3.928 -0.556 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . rr_6mk8 1
. 4 . 801 . 1 1 11 LYS CD C 5.603 4.392 1.859 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . rr_6mk8 1
. 4 . 802 . 1 1 11 LYS CE C 6.843 3.821 2.557 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . rr_6mk8 1
. 4 . 803 . 1 1 11 LYS CG C 5.257 3.536 0.633 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . rr_6mk8 1
. 4 . 804 . 1 1 11 LYS H H 4.656 2.167 -1.634 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . rr_6mk8 1
. 4 . 805 . 1 1 11 LYS HA H 7.260 2.968 -2.116 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . rr_6mk8 1
. 4 . 806 . 1 1 11 LYS HB2 H 6.989 4.516 -0.206 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . rr_6mk8 1
. 4 . 807 . 1 1 11 LYS HB3 H 5.577 4.512 -1.260 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . rr_6mk8 1
. 4 . 808 . 1 1 11 LYS HD2 H 5.800 5.408 1.548 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . rr_6mk8 1
. 4 . 809 . 1 1 11 LYS HD3 H 4.772 4.382 2.548 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . rr_6mk8 1
. 4 . 810 . 1 1 11 LYS HE2 H 7.700 3.921 1.906 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . rr_6mk8 1
. 4 . 811 . 1 1 11 LYS HE3 H 7.022 4.365 3.472 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . rr_6mk8 1
. 4 . 812 . 1 1 11 LYS HG2 H 4.221 3.695 0.369 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . rr_6mk8 1
. 4 . 813 . 1 1 11 LYS HG3 H 5.408 2.497 0.872 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . rr_6mk8 1
. 4 . 814 . 1 1 11 LYS HZ1 H 7.342 2.058 3.548 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . rr_6mk8 1
. 4 . 815 . 1 1 11 LYS HZ2 H 6.695 1.820 1.995 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ2 . . . . . . . . . rr_6mk8 1
. 4 . 816 . 1 1 11 LYS HZ3 H 5.678 2.255 3.285 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ3 . . . . . . . . . rr_6mk8 1
. 4 . 817 . 1 1 11 LYS N N 5.575 1.833 -1.702 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . rr_6mk8 1
. 4 . 818 . 1 1 11 LYS NZ N 6.623 2.379 2.870 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . rr_6mk8 1
. 4 . 819 . 1 1 11 LYS O O 8.772 2.178 -0.184 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . rr_6mk8 1
. 4 . 820 . 1 1 12 LEU C C 8.915 -0.625 0.613 . . . 1.0 . . . . . . . . . . . . A . 12 LEU C . . . . . . . . . rr_6mk8 1
. 4 . 821 . 1 1 12 LEU CA C 7.770 0.096 1.322 . . . 1.0 . . . . . . . . . . . . A . 12 LEU CA . . . . . . . . . rr_6mk8 1
. 4 . 822 . 1 1 12 LEU CB C 6.846 -0.924 2.005 . . . 1.0 . . . . . . . . . . . . A . 12 LEU CB . . . . . . . . . rr_6mk8 1
. 4 . 823 . 1 1 12 LEU CD1 C 6.052 -1.814 4.201 . . . 1.0 . . . . . . . . . . . . A . 12 LEU CD1 . . . . . . . . . rr_6mk8 1
. 4 . 824 . 1 1 12 LEU CD2 C 8.496 -1.504 3.794 . . . 1.0 . . . . . . . . . . . . A . 12 LEU CD2 . . . . . . . . . rr_6mk8 1
. 4 . 825 . 1 1 12 LEU CG C 7.101 -0.938 3.515 . . . 1.0 . . . . . . . . . . . . A . 12 LEU CG . . . . . . . . . rr_6mk8 1
. 4 . 826 . 1 1 12 LEU H H 6.047 0.715 0.246 . . . 1.0 . . . . . . . . . . . . A . 12 LEU H . . . . . . . . . rr_6mk8 1
. 4 . 827 . 1 1 12 LEU HA H 8.187 0.751 2.073 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HA . . . . . . . . . rr_6mk8 1
. 4 . 828 . 1 1 12 LEU HB2 H 5.817 -0.651 1.821 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HB2 . . . . . . . . . rr_6mk8 1
. 4 . 829 . 1 1 12 LEU HB3 H 7.032 -1.909 1.603 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HB3 . . . . . . . . . rr_6mk8 1
. 4 . 830 . 1 1 12 LEU HD11 H 6.144 -2.829 3.849 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD11 . . . . . . . . . rr_6mk8 1
. 4 . 831 . 1 1 12 LEU HD12 H 5.064 -1.441 3.969 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD12 . . . . . . . . . rr_6mk8 1
. 4 . 832 . 1 1 12 LEU HD13 H 6.204 -1.787 5.270 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD13 . . . . . . . . . rr_6mk8 1
. 4 . 833 . 1 1 12 LEU HD21 H 8.708 -1.431 4.850 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD21 . . . . . . . . . rr_6mk8 1
. 4 . 834 . 1 1 12 LEU HD22 H 9.232 -0.942 3.240 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD22 . . . . . . . . . rr_6mk8 1
. 4 . 835 . 1 1 12 LEU HD23 H 8.531 -2.540 3.490 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD23 . . . . . . . . . rr_6mk8 1
. 4 . 836 . 1 1 12 LEU HG H 7.034 0.070 3.898 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HG . . . . . . . . . rr_6mk8 1
. 4 . 837 . 1 1 12 LEU N N 7.006 0.902 0.378 . . . 1.0 . . . . . . . . . . . . A . 12 LEU N . . . . . . . . . rr_6mk8 1
. 4 . 838 . 1 1 12 LEU O O 10.062 -0.570 1.058 . . . 1.0 . . . . . . . . . . . . A . 12 LEU O . . . . . . . . . rr_6mk8 1
. 4 . 839 . 1 1 13 LEU C C 9.746 -1.434 -2.659 . . . 1.0 . . . . . . . . . . . . A . 13 LEU C . . . . . . . . . rr_6mk8 1
. 4 . 840 . 1 1 13 LEU CA C 9.616 -2.021 -1.256 . . . 1.0 . . . . . . . . . . . . A . 13 LEU CA . . . . . . . . . rr_6mk8 1
. 4 . 841 . 1 1 13 LEU CB C 9.251 -3.510 -1.352 . . . 1.0 . . . . . . . . . . . . A . 13 LEU CB . . . . . . . . . rr_6mk8 1
. 4 . 842 . 1 1 13 LEU CD1 C 6.968 -3.799 -0.358 . . . 1.0 . . . . . . . . . . . . A . 13 LEU CD1 . . . . . . . . . rr_6mk8 1
. 4 . 843 . 1 1 13 LEU CD2 C 8.787 -5.404 0.223 . . . 1.0 . . . . . . . . . . . . A . 13 LEU CD2 . . . . . . . . . rr_6mk8 1
. 4 . 844 . 1 1 13 LEU CG C 8.469 -3.941 -0.100 . . . 1.0 . . . . . . . . . . . . A . 13 LEU CG . . . . . . . . . rr_6mk8 1
. 4 . 845 . 1 1 13 LEU H H 7.670 -1.303 -0.802 . . . 1.0 . . . . . . . . . . . . A . 13 LEU H . . . . . . . . . rr_6mk8 1
. 4 . 846 . 1 1 13 LEU HA H 10.568 -1.929 -0.752 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HA . . . . . . . . . rr_6mk8 1
. 4 . 847 . 1 1 13 LEU HB2 H 8.644 -3.676 -2.231 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HB2 . . . . . . . . . rr_6mk8 1
. 4 . 848 . 1 1 13 LEU HB3 H 10.156 -4.094 -1.428 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HB3 . . . . . . . . . rr_6mk8 1
. 4 . 849 . 1 1 13 LEU HD11 H 6.433 -3.876 0.577 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HD11 . . . . . . . . . rr_6mk8 1
. 4 . 850 . 1 1 13 LEU HD12 H 6.642 -4.584 -1.025 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HD12 . . . . . . . . . rr_6mk8 1
. 4 . 851 . 1 1 13 LEU HD13 H 6.771 -2.840 -0.810 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HD13 . . . . . . . . . rr_6mk8 1
. 4 . 852 . 1 1 13 LEU HD21 H 8.188 -5.724 1.064 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HD21 . . . . . . . . . rr_6mk8 1
. 4 . 853 . 1 1 13 LEU HD22 H 9.833 -5.499 0.472 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HD22 . . . . . . . . . rr_6mk8 1
. 4 . 854 . 1 1 13 LEU HD23 H 8.562 -6.019 -0.634 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HD23 . . . . . . . . . rr_6mk8 1
. 4 . 855 . 1 1 13 LEU HG H 8.751 -3.318 0.736 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HG . . . . . . . . . rr_6mk8 1
. 4 . 856 . 1 1 13 LEU N N 8.600 -1.297 -0.493 . . . 1.0 . . . . . . . . . . . . A . 13 LEU N . . . . . . . . . rr_6mk8 1
. 4 . 857 . 1 1 13 LEU O O 10.827 -1.002 -3.058 . . . 1.0 . . . . . . . . . . . . A . 13 LEU O . . . . . . . . . rr_6mk8 1
. 4 . 858 . 1 1 14 NH2 HN1 H 8.773 -1.019 -4.339 . . . 1.0 . . . . . . . . . . . . A . 14 NH2 HN1 . . . . . . . . . rr_6mk8 1
. 4 . 859 . 1 1 14 NH2 HN2 H 7.838 -1.738 -3.119 . . . 1.0 . . . . . . . . . . . . A . 14 NH2 HN2 . . . . . . . . . rr_6mk8 1
. 4 . 860 . 1 1 14 NH2 N N 8.699 -1.394 -3.437 . . . 1.0 . . . . . . . . . . . . A . 14 NH2 N . . . . . . . . . rr_6mk8 1
. 5 . 861 . 1 1 1 GLY C C -9.433 -0.963 0.355 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . rr_6mk8 1
. 5 . 862 . 1 1 1 GLY CA C -10.887 -0.686 -0.007 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . rr_6mk8 1
. 5 . 863 . 1 1 1 GLY H1 H -12.214 -0.760 1.596 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . rr_6mk8 1
. 5 . 864 . 1 1 1 GLY H2 H -12.134 0.756 0.832 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . rr_6mk8 1
. 5 . 865 . 1 1 1 GLY H3 H -10.875 0.247 1.854 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . rr_6mk8 1
. 5 . 866 . 1 1 1 GLY HA2 H -11.379 -1.614 -0.264 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . rr_6mk8 1
. 5 . 867 . 1 1 1 GLY HA3 H -10.923 -0.013 -0.851 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . rr_6mk8 1
. 5 . 868 . 1 1 1 GLY N N -11.580 -0.064 1.157 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . rr_6mk8 1
. 5 . 869 . 1 1 1 GLY O O -8.671 -0.042 0.651 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . rr_6mk8 1
. 5 . 870 . 1 1 2 LEU C C -6.706 -2.028 -0.352 . . . 1.0 . . . . . . . . . . . . A . 2 LEU C . . . . . . . . . rr_6mk8 1
. 5 . 871 . 1 1 2 LEU CA C -7.685 -2.623 0.655 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CA . . . . . . . . . rr_6mk8 1
. 5 . 872 . 1 1 2 LEU CB C -7.560 -4.149 0.657 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CB . . . . . . . . . rr_6mk8 1
. 5 . 873 . 1 1 2 LEU CD1 C -6.383 -5.035 -1.380 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD1 . . . . . . . . . rr_6mk8 1
. 5 . 874 . 1 1 2 LEU CD2 C -8.610 -5.960 -0.729 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD2 . . . . . . . . . rr_6mk8 1
. 5 . 875 . 1 1 2 LEU CG C -7.747 -4.694 -0.770 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CG . . . . . . . . . rr_6mk8 1
. 5 . 876 . 1 1 2 LEU H H -9.703 -2.928 0.083 . . . 1.0 . . . . . . . . . . . . A . 2 LEU H . . . . . . . . . rr_6mk8 1
. 5 . 877 . 1 1 2 LEU HA H -7.443 -2.252 1.639 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HA . . . . . . . . . rr_6mk8 1
. 5 . 878 . 1 1 2 LEU HB2 H -6.583 -4.427 1.029 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB2 . . . . . . . . . rr_6mk8 1
. 5 . 879 . 1 1 2 LEU HB3 H -8.318 -4.567 1.304 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB3 . . . . . . . . . rr_6mk8 1
. 5 . 880 . 1 1 2 LEU HD11 H -6.483 -5.128 -2.452 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD11 . . . . . . . . . rr_6mk8 1
. 5 . 881 . 1 1 2 LEU HD12 H -6.028 -5.968 -0.970 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD12 . . . . . . . . . rr_6mk8 1
. 5 . 882 . 1 1 2 LEU HD13 H -5.679 -4.250 -1.151 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD13 . . . . . . . . . rr_6mk8 1
. 5 . 883 . 1 1 2 LEU HD21 H -8.167 -6.674 -0.050 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD21 . . . . . . . . . rr_6mk8 1
. 5 . 884 . 1 1 2 LEU HD22 H -8.666 -6.389 -1.718 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD22 . . . . . . . . . rr_6mk8 1
. 5 . 885 . 1 1 2 LEU HD23 H -9.603 -5.707 -0.388 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD23 . . . . . . . . . rr_6mk8 1
. 5 . 886 . 1 1 2 LEU HG H -8.235 -3.947 -1.381 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HG . . . . . . . . . rr_6mk8 1
. 5 . 887 . 1 1 2 LEU N N -9.053 -2.236 0.327 . . . 1.0 . . . . . . . . . . . . A . 2 LEU N . . . . . . . . . rr_6mk8 1
. 5 . 888 . 1 1 2 LEU O O -5.504 -1.957 -0.094 . . . 1.0 . . . . . . . . . . . . A . 2 LEU O . . . . . . . . . rr_6mk8 1
. 5 . 889 . 1 1 3 SER C C -5.691 0.237 -2.011 . . . 1.0 . . . . . . . . . . . . A . 3 SER C . . . . . . . . . rr_6mk8 1
. 5 . 890 . 1 1 3 SER CA C -6.388 -1.013 -2.535 . . . 1.0 . . . . . . . . . . . . A . 3 SER CA . . . . . . . . . rr_6mk8 1
. 5 . 891 . 1 1 3 SER CB C -7.235 -0.655 -3.755 . . . 1.0 . . . . . . . . . . . . A . 3 SER CB . . . . . . . . . rr_6mk8 1
. 5 . 892 . 1 1 3 SER H H -8.193 -1.683 -1.647 . . . 1.0 . . . . . . . . . . . . A . 3 SER H . . . . . . . . . rr_6mk8 1
. 5 . 893 . 1 1 3 SER HA H -5.639 -1.734 -2.829 . . . 1.0 . . . . . . . . . . . . A . 3 SER HA . . . . . . . . . rr_6mk8 1
. 5 . 894 . 1 1 3 SER HB2 H -8.030 0.011 -3.460 . . . 1.0 . . . . . . . . . . . . A . 3 SER HB2 . . . . . . . . . rr_6mk8 1
. 5 . 895 . 1 1 3 SER HB3 H -6.613 -0.166 -4.493 . . . 1.0 . . . . . . . . . . . . A . 3 SER HB3 . . . . . . . . . rr_6mk8 1
. 5 . 896 . 1 1 3 SER HG H -8.227 -2.320 -3.590 . . . 1.0 . . . . . . . . . . . . A . 3 SER HG . . . . . . . . . rr_6mk8 1
. 5 . 897 . 1 1 3 SER N N -7.228 -1.602 -1.497 . . . 1.0 . . . . . . . . . . . . A . 3 SER N . . . . . . . . . rr_6mk8 1
. 5 . 898 . 1 1 3 SER O O -4.531 0.496 -2.334 . . . 1.0 . . . . . . . . . . . . A . 3 SER O . . . . . . . . . rr_6mk8 1
. 5 . 899 . 1 1 3 SER OG O -7.797 -1.840 -4.301 . . . 1.0 . . . . . . . . . . . . A . 3 SER OG . . . . . . . . . rr_6mk8 1
. 5 . 900 . 1 1 4 LEU C C -4.647 1.902 0.254 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . rr_6mk8 1
. 5 . 901 . 1 1 4 LEU CA C -5.845 2.231 -0.633 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . rr_6mk8 1
. 5 . 902 . 1 1 4 LEU CB C -6.917 2.963 0.186 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . rr_6mk8 1
. 5 . 903 . 1 1 4 LEU CD1 C -7.709 5.188 1.006 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . rr_6mk8 1
. 5 . 904 . 1 1 4 LEU CD2 C -5.272 4.806 0.604 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . rr_6mk8 1
. 5 . 905 . 1 1 4 LEU CG C -6.686 4.477 0.117 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . rr_6mk8 1
. 5 . 906 . 1 1 4 LEU H H -7.325 0.754 -0.975 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . rr_6mk8 1
. 5 . 907 . 1 1 4 LEU HA H -5.519 2.872 -1.440 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . rr_6mk8 1
. 5 . 908 . 1 1 4 LEU HB2 H -7.892 2.732 -0.215 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . rr_6mk8 1
. 5 . 909 . 1 1 4 LEU HB3 H -6.868 2.641 1.216 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . rr_6mk8 1
. 5 . 910 . 1 1 4 LEU HD11 H -7.437 6.228 1.106 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . rr_6mk8 1
. 5 . 911 . 1 1 4 LEU HD12 H -7.724 4.723 1.981 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . rr_6mk8 1
. 5 . 912 . 1 1 4 LEU HD13 H -8.689 5.113 0.557 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . rr_6mk8 1
. 5 . 913 . 1 1 4 LEU HD21 H -5.225 5.843 0.903 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . rr_6mk8 1
. 5 . 914 . 1 1 4 LEU HD22 H -4.567 4.632 -0.194 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . rr_6mk8 1
. 5 . 915 . 1 1 4 LEU HD23 H -5.024 4.179 1.448 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . rr_6mk8 1
. 5 . 916 . 1 1 4 LEU HG H -6.805 4.811 -0.903 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . rr_6mk8 1
. 5 . 917 . 1 1 4 LEU N N -6.405 1.009 -1.199 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . rr_6mk8 1
. 5 . 918 . 1 1 4 LEU O O -3.611 2.565 0.190 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . rr_6mk8 1
. 5 . 919 . 1 1 5 LEU C C -2.559 -0.129 1.184 . . . 1.0 . . . . . . . . . . . . A . 5 LEU C . . . . . . . . . rr_6mk8 1
. 5 . 920 . 1 1 5 LEU CA C -3.721 0.464 1.977 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CA . . . . . . . . . rr_6mk8 1
. 5 . 921 . 1 1 5 LEU CB C -4.239 -0.572 2.981 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CB . . . . . . . . . rr_6mk8 1
. 5 . 922 . 1 1 5 LEU CD1 C -4.120 0.963 4.976 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD1 . . . . . . . . . rr_6mk8 1
. 5 . 923 . 1 1 5 LEU CD2 C -6.107 1.028 3.452 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD2 . . . . . . . . . rr_6mk8 1
. 5 . 924 . 1 1 5 LEU CG C -5.048 0.122 4.086 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CG . . . . . . . . . rr_6mk8 1
. 5 . 925 . 1 1 5 LEU H H -5.643 0.380 1.089 . . . 1.0 . . . . . . . . . . . . A . 5 LEU H . . . . . . . . . rr_6mk8 1
. 5 . 926 . 1 1 5 LEU HA H -3.367 1.328 2.517 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HA . . . . . . . . . rr_6mk8 1
. 5 . 927 . 1 1 5 LEU HB2 H -4.873 -1.281 2.467 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB2 . . . . . . . . . rr_6mk8 1
. 5 . 928 . 1 1 5 LEU HB3 H -3.405 -1.096 3.423 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB3 . . . . . . . . . rr_6mk8 1
. 5 . 929 . 1 1 5 LEU HD11 H -4.528 1.011 5.974 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD11 . . . . . . . . . rr_6mk8 1
. 5 . 930 . 1 1 5 LEU HD12 H -4.038 1.962 4.575 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD12 . . . . . . . . . rr_6mk8 1
. 5 . 931 . 1 1 5 LEU HD13 H -3.140 0.509 5.012 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD13 . . . . . . . . . rr_6mk8 1
. 5 . 932 . 1 1 5 LEU HD21 H -6.591 0.503 2.641 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD21 . . . . . . . . . rr_6mk8 1
. 5 . 933 . 1 1 5 LEU HD22 H -5.637 1.922 3.072 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD22 . . . . . . . . . rr_6mk8 1
. 5 . 934 . 1 1 5 LEU HD23 H -6.843 1.297 4.196 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD23 . . . . . . . . . rr_6mk8 1
. 5 . 935 . 1 1 5 LEU HG H -5.536 -0.627 4.694 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HG . . . . . . . . . rr_6mk8 1
. 5 . 936 . 1 1 5 LEU N N -4.796 0.872 1.081 . . . 1.0 . . . . . . . . . . . . A . 5 LEU N . . . . . . . . . rr_6mk8 1
. 5 . 937 . 1 1 5 LEU O O -1.397 0.168 1.455 . . . 1.0 . . . . . . . . . . . . A . 5 LEU O . . . . . . . . . rr_6mk8 1
. 5 . 938 . 1 1 6 LEU C C -0.911 -0.540 -1.200 . . . 1.0 . . . . . . . . . . . . A . 6 LEU C . . . . . . . . . rr_6mk8 1
. 5 . 939 . 1 1 6 LEU CA C -1.852 -1.595 -0.619 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CA . . . . . . . . . rr_6mk8 1
. 5 . 940 . 1 1 6 LEU CB C -2.511 -2.390 -1.756 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CB . . . . . . . . . rr_6mk8 1
. 5 . 941 . 1 1 6 LEU CD1 C -2.396 -4.461 -3.151 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD1 . . . . . . . . . rr_6mk8 1
. 5 . 942 . 1 1 6 LEU CD2 C -0.288 -3.339 -2.409 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD2 . . . . . . . . . rr_6mk8 1
. 5 . 943 . 1 1 6 LEU CG C -1.729 -3.681 -2.016 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CG . . . . . . . . . rr_6mk8 1
. 5 . 944 . 1 1 6 LEU H H -3.823 -1.168 0.033 . . . 1.0 . . . . . . . . . . . . A . 6 LEU H . . . . . . . . . rr_6mk8 1
. 5 . 945 . 1 1 6 LEU HA H -1.279 -2.272 -0.003 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HA . . . . . . . . . rr_6mk8 1
. 5 . 946 . 1 1 6 LEU HB2 H -3.525 -2.637 -1.477 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB2 . . . . . . . . . rr_6mk8 1
. 5 . 947 . 1 1 6 LEU HB3 H -2.524 -1.793 -2.656 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB3 . . . . . . . . . rr_6mk8 1
. 5 . 948 . 1 1 6 LEU HD11 H -3.440 -4.612 -2.918 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD11 . . . . . . . . . rr_6mk8 1
. 5 . 949 . 1 1 6 LEU HD12 H -1.909 -5.418 -3.265 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD12 . . . . . . . . . rr_6mk8 1
. 5 . 950 . 1 1 6 LEU HD13 H -2.309 -3.902 -4.071 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD13 . . . . . . . . . rr_6mk8 1
. 5 . 951 . 1 1 6 LEU HD21 H -0.284 -2.466 -3.046 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD21 . . . . . . . . . rr_6mk8 1
. 5 . 952 . 1 1 6 LEU HD22 H 0.150 -4.172 -2.939 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD22 . . . . . . . . . rr_6mk8 1
. 5 . 953 . 1 1 6 LEU HD23 H 0.290 -3.138 -1.519 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD23 . . . . . . . . . rr_6mk8 1
. 5 . 954 . 1 1 6 LEU HG H -1.726 -4.286 -1.120 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HG . . . . . . . . . rr_6mk8 1
. 5 . 955 . 1 1 6 LEU N N -2.880 -0.966 0.204 . . . 1.0 . . . . . . . . . . . . A . 6 LEU N . . . . . . . . . rr_6mk8 1
. 5 . 956 . 1 1 6 LEU O O 0.261 -0.815 -1.459 . . . 1.0 . . . . . . . . . . . . A . 6 LEU O . . . . . . . . . rr_6mk8 1
. 5 . 957 . 1 1 7 SER C C 0.640 1.962 -1.144 . . . 1.0 . . . . . . . . . . . . A . 7 SER C . . . . . . . . . rr_6mk8 1
. 5 . 958 . 1 1 7 SER CA C -0.631 1.750 -1.960 . . . 1.0 . . . . . . . . . . . . A . 7 SER CA . . . . . . . . . rr_6mk8 1
. 5 . 959 . 1 1 7 SER CB C -1.447 3.042 -1.982 . . . 1.0 . . . . . . . . . . . . A . 7 SER CB . . . . . . . . . rr_6mk8 1
. 5 . 960 . 1 1 7 SER H H -2.373 0.825 -1.182 . . . 1.0 . . . . . . . . . . . . A . 7 SER H . . . . . . . . . rr_6mk8 1
. 5 . 961 . 1 1 7 SER HA H -0.355 1.496 -2.972 . . . 1.0 . . . . . . . . . . . . A . 7 SER HA . . . . . . . . . rr_6mk8 1
. 5 . 962 . 1 1 7 SER HB2 H -0.954 3.771 -2.602 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB2 . . . . . . . . . rr_6mk8 1
. 5 . 963 . 1 1 7 SER HB3 H -2.432 2.838 -2.382 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB3 . . . . . . . . . rr_6mk8 1
. 5 . 964 . 1 1 7 SER HG H -1.774 4.484 -0.717 . . . 1.0 . . . . . . . . . . . . A . 7 SER HG . . . . . . . . . rr_6mk8 1
. 5 . 965 . 1 1 7 SER N N -1.432 0.664 -1.405 . . . 1.0 . . . . . . . . . . . . A . 7 SER N . . . . . . . . . rr_6mk8 1
. 5 . 966 . 1 1 7 SER O O 1.723 2.134 -1.703 . . . 1.0 . . . . . . . . . . . . A . 7 SER O . . . . . . . . . rr_6mk8 1
. 5 . 967 . 1 1 7 SER OG O -1.556 3.551 -0.659 . . . 1.0 . . . . . . . . . . . . A . 7 SER OG . . . . . . . . . rr_6mk8 1
. 5 . 968 . 1 1 8 LEU C C 2.562 0.915 1.018 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . rr_6mk8 1
. 5 . 969 . 1 1 8 LEU CA C 1.663 2.148 1.046 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . rr_6mk8 1
. 5 . 970 . 1 1 8 LEU CB C 1.206 2.453 2.482 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . rr_6mk8 1
. 5 . 971 . 1 1 8 LEU CD1 C 2.026 0.692 4.084 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . rr_6mk8 1
. 5 . 972 . 1 1 8 LEU CD2 C -0.364 1.414 4.142 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . rr_6mk8 1
. 5 . 973 . 1 1 8 LEU CG C 0.840 1.155 3.230 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . rr_6mk8 1
. 5 . 974 . 1 1 8 LEU H H -0.378 1.814 0.574 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . rr_6mk8 1
. 5 . 975 . 1 1 8 LEU HA H 2.228 2.992 0.678 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . rr_6mk8 1
. 5 . 976 . 1 1 8 LEU HB2 H 2.004 2.957 3.008 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . rr_6mk8 1
. 5 . 977 . 1 1 8 LEU HB3 H 0.343 3.101 2.447 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . rr_6mk8 1
. 5 . 978 . 1 1 8 LEU HD11 H 1.912 -0.357 4.318 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . rr_6mk8 1
. 5 . 979 . 1 1 8 LEU HD12 H 2.057 1.263 5.000 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . rr_6mk8 1
. 5 . 980 . 1 1 8 LEU HD13 H 2.946 0.840 3.539 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . rr_6mk8 1
. 5 . 981 . 1 1 8 LEU HD21 H -0.533 0.551 4.767 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . rr_6mk8 1
. 5 . 982 . 1 1 8 LEU HD22 H -1.240 1.598 3.538 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . rr_6mk8 1
. 5 . 983 . 1 1 8 LEU HD23 H -0.167 2.276 4.762 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . rr_6mk8 1
. 5 . 984 . 1 1 8 LEU HG H 0.590 0.384 2.519 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . rr_6mk8 1
. 5 . 985 . 1 1 8 LEU N N 0.507 1.953 0.178 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . rr_6mk8 1
. 5 . 986 . 1 1 8 LEU O O 3.771 1.009 1.228 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . rr_6mk8 1
. 5 . 987 . 1 1 9 GLY C C 3.767 -1.461 -0.382 . . . 1.0 . . . . . . . . . . . . A . 9 GLY C . . . . . . . . . rr_6mk8 1
. 5 . 988 . 1 1 9 GLY CA C 2.703 -1.492 0.711 . . . 1.0 . . . . . . . . . . . . A . 9 GLY CA . . . . . . . . . rr_6mk8 1
. 5 . 989 . 1 1 9 GLY H H 0.991 -0.251 0.604 . . . 1.0 . . . . . . . . . . . . A . 9 GLY H . . . . . . . . . rr_6mk8 1
. 5 . 990 . 1 1 9 GLY HA2 H 3.180 -1.656 1.666 . . . 1.0 . . . . . . . . . . . . A . 9 GLY HA2 . . . . . . . . . rr_6mk8 1
. 5 . 991 . 1 1 9 GLY HA3 H 2.018 -2.302 0.512 . . . 1.0 . . . . . . . . . . . . A . 9 GLY HA3 . . . . . . . . . rr_6mk8 1
. 5 . 992 . 1 1 9 GLY N N 1.958 -0.241 0.760 . . . 1.0 . . . . . . . . . . . . A . 9 GLY N . . . . . . . . . rr_6mk8 1
. 5 . 993 . 1 1 9 GLY O O 4.927 -1.787 -0.135 . . . 1.0 . . . . . . . . . . . . A . 9 GLY O . . . . . . . . . rr_6mk8 1
. 5 . 994 . 1 1 10 LEU C C 5.246 0.178 -2.557 . . . 1.0 . . . . . . . . . . . . A . 10 LEU C . . . . . . . . . rr_6mk8 1
. 5 . 995 . 1 1 10 LEU CA C 4.315 -1.018 -2.702 . . . 1.0 . . . . . . . . . . . . A . 10 LEU CA . . . . . . . . . rr_6mk8 1
. 5 . 996 . 1 1 10 LEU CB C 3.559 -0.946 -4.037 . . . 1.0 . . . . . . . . . . . . A . 10 LEU CB . . . . . . . . . rr_6mk8 1
. 5 . 997 . 1 1 10 LEU CD1 C 3.898 1.264 -5.188 . . . 1.0 . . . . . . . . . . . . A . 10 LEU CD1 . . . . . . . . . rr_6mk8 1
. 5 . 998 . 1 1 10 LEU CD2 C 1.589 0.366 -4.871 . . . 1.0 . . . . . . . . . . . . A . 10 LEU CD2 . . . . . . . . . rr_6mk8 1
. 5 . 999 . 1 1 10 LEU CG C 2.986 0.467 -4.248 . . . 1.0 . . . . . . . . . . . . A . 10 LEU CG . . . . . . . . . rr_6mk8 1
. 5 . 1000 . 1 1 10 LEU H H 2.433 -0.827 -1.738 . . . 1.0 . . . . . . . . . . . . A . 10 LEU H . . . . . . . . . rr_6mk8 1
. 5 . 1001 . 1 1 10 LEU HA H 4.910 -1.918 -2.690 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HA . . . . . . . . . rr_6mk8 1
. 5 . 1002 . 1 1 10 LEU HB2 H 4.237 -1.188 -4.843 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HB2 . . . . . . . . . rr_6mk8 1
. 5 . 1003 . 1 1 10 LEU HB3 H 2.751 -1.663 -4.024 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HB3 . . . . . . . . . rr_6mk8 1
. 5 . 1004 . 1 1 10 LEU HD11 H 3.709 2.320 -5.063 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HD11 . . . . . . . . . rr_6mk8 1
. 5 . 1005 . 1 1 10 LEU HD12 H 3.700 0.983 -6.211 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HD12 . . . . . . . . . rr_6mk8 1
. 5 . 1006 . 1 1 10 LEU HD13 H 4.932 1.055 -4.953 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HD13 . . . . . . . . . rr_6mk8 1
. 5 . 1007 . 1 1 10 LEU HD21 H 1.648 -0.178 -5.802 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HD21 . . . . . . . . . rr_6mk8 1
. 5 . 1008 . 1 1 10 LEU HD22 H 1.205 1.358 -5.057 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HD22 . . . . . . . . . rr_6mk8 1
. 5 . 1009 . 1 1 10 LEU HD23 H 0.929 -0.154 -4.192 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HD23 . . . . . . . . . rr_6mk8 1
. 5 . 1010 . 1 1 10 LEU HG H 2.919 0.976 -3.299 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HG . . . . . . . . . rr_6mk8 1
. 5 . 1011 . 1 1 10 LEU N N 3.371 -1.075 -1.590 . . . 1.0 . . . . . . . . . . . . A . 10 LEU N . . . . . . . . . rr_6mk8 1
. 5 . 1012 . 1 1 10 LEU O O 6.316 0.223 -3.164 . . . 1.0 . . . . . . . . . . . . A . 10 LEU O . . . . . . . . . rr_6mk8 1
. 5 . 1013 . 1 1 11 LYS C C 6.886 1.995 -0.716 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . rr_6mk8 1
. 5 . 1014 . 1 1 11 LYS CA C 5.640 2.336 -1.529 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . rr_6mk8 1
. 5 . 1015 . 1 1 11 LYS CB C 4.815 3.391 -0.783 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . rr_6mk8 1
. 5 . 1016 . 1 1 11 LYS CD C 6.178 4.671 0.910 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . rr_6mk8 1
. 5 . 1017 . 1 1 11 LYS CE C 5.001 4.778 1.890 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . rr_6mk8 1
. 5 . 1018 . 1 1 11 LYS CG C 5.665 4.649 -0.538 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . rr_6mk8 1
. 5 . 1019 . 1 1 11 LYS H H 3.972 1.054 -1.291 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . rr_6mk8 1
. 5 . 1020 . 1 1 11 LYS HA H 5.942 2.739 -2.484 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . rr_6mk8 1
. 5 . 1021 . 1 1 11 LYS HB2 H 3.950 3.650 -1.379 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . rr_6mk8 1
. 5 . 1022 . 1 1 11 LYS HB3 H 4.489 2.984 0.160 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . rr_6mk8 1
. 5 . 1023 . 1 1 11 LYS HD2 H 6.728 3.764 1.109 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . rr_6mk8 1
. 5 . 1024 . 1 1 11 LYS HD3 H 6.833 5.521 1.044 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . rr_6mk8 1
. 5 . 1025 . 1 1 11 LYS HE2 H 5.253 5.468 2.682 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . rr_6mk8 1
. 5 . 1026 . 1 1 11 LYS HE3 H 4.123 5.133 1.370 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . rr_6mk8 1
. 5 . 1027 . 1 1 11 LYS HG2 H 6.508 4.655 -1.216 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . rr_6mk8 1
. 5 . 1028 . 1 1 11 LYS HG3 H 5.063 5.530 -0.713 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . rr_6mk8 1
. 5 . 1029 . 1 1 11 LYS HZ1 H 3.812 3.083 2.119 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . rr_6mk8 1
. 5 . 1030 . 1 1 11 LYS HZ2 H 4.688 3.509 3.512 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ2 . . . . . . . . . rr_6mk8 1
. 5 . 1031 . 1 1 11 LYS HZ3 H 5.478 2.774 2.200 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ3 . . . . . . . . . rr_6mk8 1
. 5 . 1032 . 1 1 11 LYS N N 4.833 1.145 -1.749 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . rr_6mk8 1
. 5 . 1033 . 1 1 11 LYS NZ N 4.724 3.435 2.475 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . rr_6mk8 1
. 5 . 1034 . 1 1 11 LYS O O 7.914 2.661 -0.833 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . rr_6mk8 1
. 5 . 1035 . 1 1 12 LEU C C 8.898 -0.310 0.166 . . . 1.0 . . . . . . . . . . . . A . 12 LEU C . . . . . . . . . rr_6mk8 1
. 5 . 1036 . 1 1 12 LEU CA C 7.910 0.556 0.954 . . . 1.0 . . . . . . . . . . . . A . 12 LEU CA . . . . . . . . . rr_6mk8 1
. 5 . 1037 . 1 1 12 LEU CB C 7.397 -0.203 2.186 . . . 1.0 . . . . . . . . . . . . A . 12 LEU CB . . . . . . . . . rr_6mk8 1
. 5 . 1038 . 1 1 12 LEU CD1 C 6.065 0.199 4.272 . . . 1.0 . . . . . . . . . . . . A . 12 LEU CD1 . . . . . . . . . rr_6mk8 1
. 5 . 1039 . 1 1 12 LEU CD2 C 8.412 1.039 4.115 . . . 1.0 . . . . . . . . . . . . A . 12 LEU CD2 . . . . . . . . . rr_6mk8 1
. 5 . 1040 . 1 1 12 LEU CG C 7.120 0.785 3.331 . . . 1.0 . . . . . . . . . . . . A . 12 LEU CG . . . . . . . . . rr_6mk8 1
. 5 . 1041 . 1 1 12 LEU H H 5.935 0.469 0.173 . . . 1.0 . . . . . . . . . . . . A . 12 LEU H . . . . . . . . . rr_6mk8 1
. 5 . 1042 . 1 1 12 LEU HA H 8.426 1.444 1.285 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HA . . . . . . . . . rr_6mk8 1
. 5 . 1043 . 1 1 12 LEU HB2 H 6.483 -0.718 1.931 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HB2 . . . . . . . . . rr_6mk8 1
. 5 . 1044 . 1 1 12 LEU HB3 H 8.137 -0.920 2.505 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HB3 . . . . . . . . . rr_6mk8 1
. 5 . 1045 . 1 1 12 LEU HD11 H 5.154 0.017 3.722 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD11 . . . . . . . . . rr_6mk8 1
. 5 . 1046 . 1 1 12 LEU HD12 H 5.868 0.897 5.072 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD12 . . . . . . . . . rr_6mk8 1
. 5 . 1047 . 1 1 12 LEU HD13 H 6.427 -0.730 4.686 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD13 . . . . . . . . . rr_6mk8 1
. 5 . 1048 . 1 1 12 LEU HD21 H 8.295 1.925 4.722 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD21 . . . . . . . . . rr_6mk8 1
. 5 . 1049 . 1 1 12 LEU HD22 H 9.232 1.180 3.427 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD22 . . . . . . . . . rr_6mk8 1
. 5 . 1050 . 1 1 12 LEU HD23 H 8.620 0.192 4.752 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD23 . . . . . . . . . rr_6mk8 1
. 5 . 1051 . 1 1 12 LEU HG H 6.756 1.717 2.922 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HG . . . . . . . . . rr_6mk8 1
. 5 . 1052 . 1 1 12 LEU N N 6.783 0.962 0.116 . . . 1.0 . . . . . . . . . . . . A . 12 LEU N . . . . . . . . . rr_6mk8 1
. 5 . 1053 . 1 1 12 LEU O O 10.078 0.024 0.072 . . . 1.0 . . . . . . . . . . . . A . 12 LEU O . . . . . . . . . rr_6mk8 1
. 5 . 1054 . 1 1 13 LEU C C 8.848 -2.330 -2.653 . . . 1.0 . . . . . . . . . . . . A . 13 LEU C . . . . . . . . . rr_6mk8 1
. 5 . 1055 . 1 1 13 LEU CA C 9.282 -2.302 -1.189 . . . 1.0 . . . . . . . . . . . . A . 13 LEU CA . . . . . . . . . rr_6mk8 1
. 5 . 1056 . 1 1 13 LEU CB C 9.275 -3.733 -0.623 . . . 1.0 . . . . . . . . . . . . A . 13 LEU CB . . . . . . . . . rr_6mk8 1
. 5 . 1057 . 1 1 13 LEU CD1 C 7.480 -3.414 1.119 . . . 1.0 . . . . . . . . . . . . A . 13 LEU CD1 . . . . . . . . . rr_6mk8 1
. 5 . 1058 . 1 1 13 LEU CD2 C 6.846 -3.837 -1.274 . . . 1.0 . . . . . . . . . . . . A . 13 LEU CD2 . . . . . . . . . rr_6mk8 1
. 5 . 1059 . 1 1 13 LEU CG C 7.866 -4.149 -0.171 . . . 1.0 . . . . . . . . . . . . A . 13 LEU CG . . . . . . . . . rr_6mk8 1
. 5 . 1060 . 1 1 13 LEU H H 7.464 -1.632 -0.308 . . . 1.0 . . . . . . . . . . . . A . 13 LEU H . . . . . . . . . rr_6mk8 1
. 5 . 1061 . 1 1 13 LEU HA H 10.293 -1.924 -1.144 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HA . . . . . . . . . rr_6mk8 1
. 5 . 1062 . 1 1 13 LEU HB2 H 9.616 -4.418 -1.387 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HB2 . . . . . . . . . rr_6mk8 1
. 5 . 1063 . 1 1 13 LEU HB3 H 9.949 -3.785 0.219 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HB3 . . . . . . . . . rr_6mk8 1
. 5 . 1064 . 1 1 13 LEU HD11 H 8.359 -2.974 1.566 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HD11 . . . . . . . . . rr_6mk8 1
. 5 . 1065 . 1 1 13 LEU HD12 H 7.041 -4.115 1.812 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HD12 . . . . . . . . . rr_6mk8 1
. 5 . 1066 . 1 1 13 LEU HD13 H 6.766 -2.640 0.895 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HD13 . . . . . . . . . rr_6mk8 1
. 5 . 1067 . 1 1 13 LEU HD21 H 5.903 -4.307 -1.032 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HD21 . . . . . . . . . rr_6mk8 1
. 5 . 1068 . 1 1 13 LEU HD22 H 7.204 -4.221 -2.217 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HD22 . . . . . . . . . rr_6mk8 1
. 5 . 1069 . 1 1 13 LEU HD23 H 6.705 -2.769 -1.347 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HD23 . . . . . . . . . rr_6mk8 1
. 5 . 1070 . 1 1 13 LEU HG H 7.862 -5.213 0.021 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HG . . . . . . . . . rr_6mk8 1
. 5 . 1071 . 1 1 13 LEU N N 8.413 -1.416 -0.407 . . . 1.0 . . . . . . . . . . . . A . 13 LEU N . . . . . . . . . rr_6mk8 1
. 5 . 1072 . 1 1 13 LEU O O 9.360 -3.124 -3.441 . . . 1.0 . . . . . . . . . . . . A . 13 LEU O . . . . . . . . . rr_6mk8 1
. 5 . 1073 . 1 1 14 NH2 HN1 H 7.644 -1.513 -4.003 . . . 1.0 . . . . . . . . . . . . A . 14 NH2 HN1 . . . . . . . . . rr_6mk8 1
. 5 . 1074 . 1 1 14 NH2 HN2 H 7.523 -0.869 -2.438 . . . 1.0 . . . . . . . . . . . . A . 14 NH2 HN2 . . . . . . . . . rr_6mk8 1
. 5 . 1075 . 1 1 14 NH2 N N 7.929 -1.502 -3.066 . . . 1.0 . . . . . . . . . . . . A . 14 NH2 N . . . . . . . . . rr_6mk8 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_6mk8
_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 6mk8.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_6mk8 1
1 6mk8.mr . . XPLOR/CNS 2 distance NOE simple 83 rr_6mk8 1
1 6mk8.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 22 rr_6mk8 1
1 6mk8.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_6mk8 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_6mk8
_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: '6mk8'" . . . . distance "general distance" . 71 rr_6mk8 1
2 "From CCPN project: '6mk8'" . . . . "dihedral angle" "Not applicable" . 22 rr_6mk8 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 6mk8.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_6mk8 1
1 6mk8.mr . . XPLOR/CNS 2 distance NOE simple 83 rr_6mk8 1
1 6mk8.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 22 rr_6mk8 1
1 6mk8.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_6mk8 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_6mk8
_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_6mk8 1
stop_
loop_
_Gen_dist_constraint.ID
_Gen_dist_constraint.Member_ID
_Gen_dist_constraint.Member_logic_code
_Gen_dist_constraint.Assembly_atom_ID_1
_Gen_dist_constraint.Entity_assembly_ID_1
_Gen_dist_constraint.Entity_ID_1
_Gen_dist_constraint.Comp_index_ID_1
_Gen_dist_constraint.Seq_ID_1
_Gen_dist_constraint.Comp_ID_1
_Gen_dist_constraint.Atom_ID_1
_Gen_dist_constraint.Atom_type_1
_Gen_dist_constraint.Atom_isotope_number_1
_Gen_dist_constraint.Resonance_ID_1
_Gen_dist_constraint.Assembly_atom_ID_2
_Gen_dist_constraint.Entity_assembly_ID_2
_Gen_dist_constraint.Entity_ID_2
_Gen_dist_constraint.Comp_index_ID_2
_Gen_dist_constraint.Seq_ID_2
_Gen_dist_constraint.Comp_ID_2
_Gen_dist_constraint.Atom_ID_2
_Gen_dist_constraint.Atom_type_2
_Gen_dist_constraint.Atom_isotope_number_2
_Gen_dist_constraint.Resonance_ID_2
_Gen_dist_constraint.Intensity_val
_Gen_dist_constraint.Intensity_lower_val_err
_Gen_dist_constraint.Intensity_upper_val_err
_Gen_dist_constraint.Distance_val
_Gen_dist_constraint.Distance_lower_bound_val
_Gen_dist_constraint.Distance_upper_bound_val
_Gen_dist_constraint.Contribution_fractional_val
_Gen_dist_constraint.Spectral_peak_ID
_Gen_dist_constraint.Spectral_peak_list_ID
_Gen_dist_constraint.PDB_record_ID_1
_Gen_dist_constraint.PDB_model_num_1
_Gen_dist_constraint.PDB_strand_ID_1
_Gen_dist_constraint.PDB_ins_code_1
_Gen_dist_constraint.PDB_residue_no_1
_Gen_dist_constraint.PDB_residue_name_1
_Gen_dist_constraint.PDB_atom_name_1
_Gen_dist_constraint.PDB_record_ID_2
_Gen_dist_constraint.PDB_model_num_2
_Gen_dist_constraint.PDB_strand_ID_2
_Gen_dist_constraint.PDB_ins_code_2
_Gen_dist_constraint.PDB_residue_no_2
_Gen_dist_constraint.PDB_residue_name_2
_Gen_dist_constraint.PDB_atom_name_2
_Gen_dist_constraint.Auth_entity_assembly_ID_1
_Gen_dist_constraint.Auth_asym_ID_1
_Gen_dist_constraint.Auth_chain_ID_1
_Gen_dist_constraint.Auth_seq_ID_1
_Gen_dist_constraint.Auth_comp_ID_1
_Gen_dist_constraint.Auth_atom_ID_1
_Gen_dist_constraint.Auth_alt_ID_1
_Gen_dist_constraint.Auth_atom_name_1
_Gen_dist_constraint.Auth_entity_assembly_ID_2
_Gen_dist_constraint.Auth_asym_ID_2
_Gen_dist_constraint.Auth_chain_ID_2
_Gen_dist_constraint.Auth_seq_ID_2
_Gen_dist_constraint.Auth_comp_ID_2
_Gen_dist_constraint.Auth_atom_ID_2
_Gen_dist_constraint.Auth_alt_ID_2
_Gen_dist_constraint.Auth_atom_name_2
_Gen_dist_constraint.Entry_ID
_Gen_dist_constraint.Gen_dist_constraint_list_ID
1 1 . . 1 1 1 1 GLY HA2 H . . . 1 1 2 2 LEU H H . . . . . 3.0 1.8 3.5 . . . . . A . 1 GLY HA2 . . A . 2 LEU H . . . 1 . HA2 . . . . . 2 . HN . . rr_6mk8 1
2 1 . . 1 1 2 2 LEU H H . . . 1 1 1 1 GLY HA3 H . . . . . 3.0 1.8 3.5 . . . . . A . 2 LEU H . . A . 1 GLY HA3 . . . 2 . HN . . . . . 1 . HA1 . . rr_6mk8 1
3 1 . . 1 1 2 2 LEU H H . . . 1 1 2 2 LEU MD2 H . . . . . 3.0 1.8 4.5 . . . . . A . 2 LEU H . . A . 2 LEU MD2 . . . 2 . HN . . . . . 2 . HD2# . . rr_6mk8 1
4 1 . . 1 1 2 2 LEU H H . . . 1 1 2 2 LEU MD1 H . . . . . 3.0 1.8 4.5 . . . . . A . 2 LEU H . . A . 2 LEU MD1 . . . 2 . HN . . . . . 2 . HD1# . . rr_6mk8 1
5 1 . . 1 1 2 2 LEU H H . . . 1 1 2 2 LEU HG H . . . . . 3.0 1.8 3.8 . . . . . A . 2 LEU H . . A . 2 LEU HG . . . 2 . HN . . . . . 2 . HG . . rr_6mk8 1
6 1 OR . 1 1 2 2 LEU H H . . . 1 1 2 2 LEU HB2 H . . . . . 3.0 1.8 5.0 . . . . . A . 2 LEU H . . A . 2 LEU HB2 . . . 2 . HN . . . . . 2 . HB# . . rr_6mk8 1
6 2 OR . 1 1 2 2 LEU H H . . . 1 1 2 2 LEU HB3 H . . . . . 3.0 1.8 5.0 . . . . . A . 2 LEU H . . A . 2 LEU HB3 . . . 2 . HN . . . . . 2 . HB# . . rr_6mk8 1
7 1 . . 1 1 2 2 LEU MD2 H . . . 1 1 3 3 SER H H . . . . . 3.0 1.8 4.5 . . . . . A . 2 LEU MD2 . . A . 3 SER H . . . 2 . HD2# . . . . . 3 . HN . . rr_6mk8 1
8 1 . . 1 1 2 2 LEU HG H . . . 1 1 3 3 SER H H . . . . . 3.0 1.8 3.8 . . . . . A . 2 LEU HG . . A . 3 SER H . . . 2 . HG . . . . . 3 . HN . . rr_6mk8 1
9 1 OR . 1 1 3 3 SER H H . . . 1 1 2 2 LEU HB2 H . . . . . 3.0 1.8 5.0 . . . . . A . 3 SER H . . A . 2 LEU HB2 . . . 3 . HN . . . . . 2 . HB# . . rr_6mk8 1
9 2 OR . 1 1 2 2 LEU HB3 H . . . 1 1 3 3 SER H H . . . . . 3.0 1.8 5.0 . . . . . A . 2 LEU HB3 . . A . 3 SER H . . . 2 . HB# . . . . . 3 . HN . . rr_6mk8 1
10 1 . . 1 1 2 2 LEU H H . . . 1 1 3 3 SER H H . . . . . 3.0 1.8 3.5 . . . . . A . 2 LEU H . . A . 3 SER H . . . 2 . HN . . . . . 3 . HN . . rr_6mk8 1
11 1 . . 1 1 3 3 SER H H . . . 1 1 2 2 LEU HA H . . . . . 3.0 1.8 3.5 . . . . . A . 3 SER H . . A . 2 LEU HA . . . 3 . HN . . . . . 2 . HA . . rr_6mk8 1
12 1 . . 1 1 2 2 LEU HA H . . . 1 1 5 5 LEU H H . . . . . 4.0 1.8 5.0 . . . . . A . 2 LEU HA . . A . 5 LEU H . . . 2 . HA . . . . . 5 . HN . . rr_6mk8 1
13 1 OR . 1 1 3 3 SER H H . . . 1 1 3 3 SER HB2 H . . . . . 3.0 1.8 5.0 . . . . . A . 3 SER H . . A . 3 SER HB2 . . . 3 . HN . . . . . 3 . HB# . . rr_6mk8 1
13 2 OR . 1 1 3 3 SER H H . . . 1 1 3 3 SER HB3 H . . . . . 3.0 1.8 5.0 . . . . . A . 3 SER H . . A . 3 SER HB3 . . . 3 . HN . . . . . 3 . HB# . . rr_6mk8 1
14 1 OR . 1 1 4 4 LEU H H . . . 1 1 3 3 SER HB2 H . . . . . 3.0 1.8 5.0 . . . . . A . 4 LEU H . . A . 3 SER HB2 . . . 4 . HN . . . . . 3 . HB# . . rr_6mk8 1
14 2 OR . 1 1 3 3 SER HB3 H . . . 1 1 4 4 LEU H H . . . . . 3.0 1.8 5.0 . . . . . A . 3 SER HB3 . . A . 4 LEU H . . . 3 . HB# . . . . . 4 . HN . . rr_6mk8 1
15 1 . . 1 1 3 3 SER H H . . . 1 1 4 4 LEU H H . . . . . 3.0 1.8 3.5 . . . . . A . 3 SER H . . A . 4 LEU H . . . 3 . HN . . . . . 4 . HN . . rr_6mk8 1
16 1 . . 1 1 4 4 LEU H H . . . 1 1 3 3 SER HA H . . . . . 3.0 1.8 3.5 . . . . . A . 4 LEU H . . A . 3 SER HA . . . 4 . HN . . . . . 3 . HA . . rr_6mk8 1
17 1 . . 1 1 3 3 SER H H . . . 1 1 5 5 LEU H H . . . . . 4.0 1.8 6.0 . . . . . A . 3 SER H . . A . 5 LEU H . . . 3 . HN . . . . . 5 . HN . . rr_6mk8 1
18 1 . . 1 1 5 5 LEU H H . . . 1 1 3 3 SER HA H . . . . . 4.0 1.8 5.0 . . . . . A . 5 LEU H . . A . 3 SER HA . . . 5 . HN . . . . . 3 . HA . . rr_6mk8 1
19 1 . . 1 1 4 4 LEU H H . . . 1 1 4 4 LEU HB3 H . . . . . 3.0 1.8 3.8 . . . . . A . 4 LEU H . . A . 4 LEU HB3 . . . 4 . HN . . . . . 4 . HB1 . . rr_6mk8 1
20 1 . . 1 1 4 4 LEU H H . . . 1 1 4 4 LEU HB2 H . . . . . 3.0 1.8 3.8 . . . . . A . 4 LEU H . . A . 4 LEU HB2 . . . 4 . HN . . . . . 4 . HB2 . . rr_6mk8 1
21 1 . . 1 1 5 5 LEU H H . . . 1 1 4 4 LEU HA H . . . . . 3.0 1.8 3.8 . . . . . A . 5 LEU H . . A . 4 LEU HA . . . 5 . HN . . . . . 4 . HA . . rr_6mk8 1
22 1 . . 1 1 5 5 LEU H H . . . 1 1 4 4 LEU H H . . . . . 3.0 1.8 3.5 . . . . . A . 5 LEU H . . A . 4 LEU H . . . 5 . HN . . . . . 4 . HN . . rr_6mk8 1
23 1 . . 1 1 5 5 LEU H H . . . 1 1 4 4 LEU HB2 H . . . . . 3.0 1.8 3.8 . . . . . A . 5 LEU H . . A . 4 LEU HB2 . . . 5 . HN . . . . . 4 . HB2 . . rr_6mk8 1
24 1 . . 1 1 4 4 LEU HA H . . . 1 1 6 6 LEU H H . . . . . 4.0 1.8 5.0 . . . . . A . 4 LEU HA . . A . 6 LEU H . . . 4 . HA . . . . . 6 . HN . . rr_6mk8 1
25 1 . . 1 1 4 4 LEU H H . . . 1 1 6 6 LEU H H . . . . . 4.0 1.8 5.0 . . . . . A . 4 LEU H . . A . 6 LEU H . . . 4 . HN . . . . . 6 . HN . . rr_6mk8 1
26 1 . . 1 1 5 5 LEU H H . . . 1 1 5 5 LEU HB3 H . . . . . 3.0 1.8 3.8 . . . . . A . 5 LEU H . . A . 5 LEU HB3 . . . 5 . HN . . . . . 5 . HB1 . . rr_6mk8 1
27 1 . . 1 1 6 6 LEU H H . . . 1 1 5 5 LEU HB2 H . . . . . 3.0 1.8 3.8 . . . . . A . 6 LEU H . . A . 5 LEU HB2 . . . 6 . HN . . . . . 5 . HB2 . . rr_6mk8 1
28 1 . . 1 1 6 6 LEU H H . . . 1 1 5 5 LEU HB3 H . . . . . 3.0 1.8 3.8 . . . . . A . 6 LEU H . . A . 5 LEU HB3 . . . 6 . HN . . . . . 5 . HB1 . . rr_6mk8 1
29 1 . . 1 1 5 5 LEU H H . . . 1 1 6 6 LEU H H . . . . . 3.0 1.8 3.5 . . . . . A . 5 LEU H . . A . 6 LEU H . . . 5 . HN . . . . . 6 . HN . . rr_6mk8 1
30 1 . . 1 1 5 5 LEU HA H . . . 1 1 8 8 LEU H H . . . . . 3.0 1.8 3.8 . . . . . A . 5 LEU HA . . A . 8 LEU H . . . 5 . HA . . . . . 8 . HN . . rr_6mk8 1
31 1 OR . 1 1 6 6 LEU H H . . . 1 1 6 6 LEU HB2 H . . . . . 3.0 1.8 5.0 . . . . . A . 6 LEU H . . A . 6 LEU HB2 . . . 6 . HN . . . . . 6 . HB# . . rr_6mk8 1
31 2 OR . 1 1 6 6 LEU H H . . . 1 1 6 6 LEU HB3 H . . . . . 3.0 1.8 5.0 . . . . . A . 6 LEU H . . A . 6 LEU HB3 . . . 6 . HN . . . . . 6 . HB# . . rr_6mk8 1
32 1 . . 1 1 6 6 LEU HA H . . . 1 1 9 9 GLY H H . . . . . 3.0 1.8 3.8 . . . . . A . 6 LEU HA . . A . 9 GLY H . . . 6 . HA . . . . . 9 . HN . . rr_6mk8 1
33 1 . . 1 1 8 8 LEU H H . . . 1 1 7 7 SER H H . . . . . 4.0 1.8 5.0 . . . . . A . 8 LEU H . . A . 7 SER H . . . 8 . HN . . . . . 7 . HN . . rr_6mk8 1
34 1 . . 1 1 7 7 SER HA H . . . 1 1 10 10 LEU H H . . . . . 3.0 1.8 3.8 . . . . . A . 7 SER HA . . A . 10 LEU H . . . 7 . HA . . . . . 10 . HN . . rr_6mk8 1
35 1 . . 1 1 8 8 LEU H H . . . 1 1 8 8 LEU HG H . . . . . 3.0 1.8 3.8 . . . . . A . 8 LEU H . . A . 8 LEU HG . . . 8 . HN . . . . . 8 . HG . . rr_6mk8 1
36 1 OR . 1 1 8 8 LEU H H . . . 1 1 8 8 LEU HB2 H . . . . . 3.0 1.8 5.0 . . . . . A . 8 LEU H . . A . 8 LEU HB2 . . . 8 . HN . . . . . 8 . HB# . . rr_6mk8 1
36 2 OR . 1 1 8 8 LEU H H . . . 1 1 8 8 LEU HB3 H . . . . . 3.0 1.8 5.0 . . . . . A . 8 LEU H . . A . 8 LEU HB3 . . . 8 . HN . . . . . 8 . HB# . . rr_6mk8 1
37 1 . . 1 1 8 8 LEU H H . . . 1 1 9 9 GLY H H . . . . . 3.0 1.8 3.5 . . . . . A . 8 LEU H . . A . 9 GLY H . . . 8 . HN . . . . . 9 . HN . . rr_6mk8 1
38 1 . . 1 1 9 9 GLY H H . . . 1 1 8 8 LEU HA H . . . . . 3.0 1.8 3.8 . . . . . A . 9 GLY H . . A . 8 LEU HA . . . 9 . HN . . . . . 8 . HA . . rr_6mk8 1
39 1 . . 1 1 9 9 GLY H H . . . 1 1 8 8 LEU HG H . . . . . 3.0 1.8 3.8 . . . . . A . 9 GLY H . . A . 8 LEU HG . . . 9 . HN . . . . . 8 . HG . . rr_6mk8 1
40 1 OR . 1 1 9 9 GLY H H . . . 1 1 8 8 LEU HB2 H . . . . . 3.0 1.8 5.0 . . . . . A . 9 GLY H . . A . 8 LEU HB2 . . . 9 . HN . . . . . 8 . HB# . . rr_6mk8 1
40 2 OR . 1 1 9 9 GLY H H . . . 1 1 8 8 LEU HB3 H . . . . . 3.0 1.8 5.0 . . . . . A . 9 GLY H . . A . 8 LEU HB3 . . . 9 . HN . . . . . 8 . HB# . . rr_6mk8 1
41 1 . . 1 1 8 8 LEU HA H . . . 1 1 11 11 LYS H H . . . . . 3.0 1.8 3.8 . . . . . A . 8 LEU HA . . A . 11 LYS H . . . 8 . HA . . . . . 11 . HN . . rr_6mk8 1
42 1 OR . 1 1 10 10 LEU H H . . . 1 1 9 9 GLY HA2 H . . . . . 3.0 1.8 5.0 . . . . . A . 10 LEU H . . A . 9 GLY HA2 . . . 10 . HN . . . . . 9 . HA# . . rr_6mk8 1
42 2 OR . 1 1 10 10 LEU H H . . . 1 1 9 9 GLY HA3 H . . . . . 3.0 1.8 5.0 . . . . . A . 10 LEU H . . A . 9 GLY HA3 . . . 10 . HN . . . . . 9 . HA# . . rr_6mk8 1
43 1 . . 1 1 9 9 GLY H H . . . 1 1 10 10 LEU H H . . . . . 3.0 1.8 3.5 . . . . . A . 9 GLY H . . A . 10 LEU H . . . 9 . HN . . . . . 10 . HN . . rr_6mk8 1
44 1 . . 1 1 9 9 GLY H H . . . 1 1 11 11 LYS H H . . . . . 4.0 1.8 6.0 . . . . . A . 9 GLY H . . A . 11 LYS H . . . 9 . HN . . . . . 11 . HN . . rr_6mk8 1
45 1 OR . 1 1 12 12 LEU H H . . . 1 1 9 9 GLY HA2 H . . . . . 4.0 1.8 6.5 . . . . . A . 12 LEU H . . A . 9 GLY HA2 . . . 12 . HN . . . . . 9 . HA# . . rr_6mk8 1
45 2 OR . 1 1 9 9 GLY HA3 H . . . 1 1 12 12 LEU H H . . . . . 4.0 1.8 6.5 . . . . . A . 9 GLY HA3 . . A . 12 LEU H . . . 9 . HA# . . . . . 12 . HN . . rr_6mk8 1
46 1 OR . 1 1 9 9 GLY HA3 H . . . 1 1 12 12 LEU HB2 H . . . . . 3.0 1.8 5.3 . . . . . A . 9 GLY HA3 . . A . 12 LEU HB2 . . . 9 . HA# . . . . . 12 . HB# . . rr_6mk8 1
46 2 OR . 1 1 9 9 GLY HA2 H . . . 1 1 12 12 LEU HB2 H . . . . . 3.0 1.8 5.3 . . . . . A . 9 GLY HA2 . . A . 12 LEU HB2 . . . 9 . HA# . . . . . 12 . HB# . . rr_6mk8 1
46 3 OR . 1 1 12 12 LEU HB3 H . . . 1 1 9 9 GLY HA2 H . . . . . 3.0 1.8 5.3 . . . . . A . 12 LEU HB3 . . A . 9 GLY HA2 . . . 12 . HB# . . . . . 9 . HA# . . rr_6mk8 1
46 4 OR . 1 1 9 9 GLY HA3 H . . . 1 1 12 12 LEU HB3 H . . . . . 3.0 1.8 5.3 . . . . . A . 9 GLY HA3 . . A . 12 LEU HB3 . . . 9 . HA# . . . . . 12 . HB# . . rr_6mk8 1
47 1 OR . 1 1 12 12 LEU HG H . . . 1 1 9 9 GLY HA2 H . . . . . 4.0 1.8 6.5 . . . . . A . 12 LEU HG . . A . 9 GLY HA2 . . . 12 . HG . . . . . 9 . HA# . . rr_6mk8 1
47 2 OR . 1 1 9 9 GLY HA3 H . . . 1 1 12 12 LEU HG H . . . . . 4.0 1.8 6.5 . . . . . A . 9 GLY HA3 . . A . 12 LEU HG . . . 9 . HA# . . . . . 12 . HG . . rr_6mk8 1
48 1 . . 1 1 9 9 GLY H H . . . 1 1 12 12 LEU H H . . . . . 4.0 1.8 5.0 . . . . . A . 9 GLY H . . A . 12 LEU H . . . 9 . HN . . . . . 12 . HN . . rr_6mk8 1
49 1 OR . 1 1 9 9 GLY HA2 H . . . 1 1 12 12 LEU MD1 H . . . . . 3.0 1.8 5.8 . . . . . A . 9 GLY HA2 . . A . 12 LEU MD1 . . . 9 . HA# . . . . . 12 . HD* . . rr_6mk8 1
49 2 OR . 1 1 9 9 GLY HA3 H . . . 1 1 12 12 LEU MD1 H . . . . . 3.0 1.8 5.8 . . . . . A . 9 GLY HA3 . . A . 12 LEU MD1 . . . 9 . HA# . . . . . 12 . HD* . . rr_6mk8 1
49 3 OR . 1 1 12 12 LEU MD2 H . . . 1 1 9 9 GLY HA2 H . . . . . 3.0 1.8 5.8 . . . . . A . 12 LEU MD2 . . A . 9 GLY HA2 . . . 12 . HD* . . . . . 9 . HA# . . rr_6mk8 1
49 4 OR . 1 1 9 9 GLY HA3 H . . . 1 1 12 12 LEU MD2 H . . . . . 3.0 1.8 5.8 . . . . . A . 9 GLY HA3 . . A . 12 LEU MD2 . . . 9 . HA# . . . . . 12 . HD* . . rr_6mk8 1
50 1 . . 1 1 10 10 LEU H H . . . 1 1 10 10 LEU HG H . . . . . 3.0 1.8 3.8 . . . . . A . 10 LEU H . . A . 10 LEU HG . . . 10 . HN . . . . . 10 . HG . . rr_6mk8 1
51 1 . . 1 1 10 10 LEU H H . . . 1 1 10 10 LEU HG H . . . . . 3.0 1.8 5.5 . . . . . A . 10 LEU H . . A . 10 LEU HG . . . 10 . HN . . . . . 10 . HG* . . rr_6mk8 1
52 1 OR . 1 1 10 10 LEU H H . . . 1 1 10 10 LEU HB2 H . . . . . 3.0 1.8 5.0 . . . . . A . 10 LEU H . . A . 10 LEU HB2 . . . 10 . HN . . . . . 10 . HB# . . rr_6mk8 1
52 2 OR . 1 1 10 10 LEU H H . . . 1 1 10 10 LEU HB3 H . . . . . 3.0 1.8 5.0 . . . . . A . 10 LEU H . . A . 10 LEU HB3 . . . 10 . HN . . . . . 10 . HB# . . rr_6mk8 1
53 1 OR . 1 1 10 10 LEU H H . . . 1 1 11 11 LYS HB2 H . . . . . 4.0 1.8 7.5 . . . . . A . 10 LEU H . . A . 11 LYS HB2 . . . 10 . HN . . . . . 11 . HB# . . rr_6mk8 1
53 2 OR . 1 1 10 10 LEU H H . . . 1 1 11 11 LYS HB3 H . . . . . 4.0 1.8 7.5 . . . . . A . 10 LEU H . . A . 11 LYS HB3 . . . 10 . HN . . . . . 11 . HB# . . rr_6mk8 1
54 1 . . 1 1 10 10 LEU H H . . . 1 1 11 11 LYS H H . . . . . 3.0 1.8 3.5 . . . . . A . 10 LEU H . . A . 11 LYS H . . . 10 . HN . . . . . 11 . HN . . rr_6mk8 1
55 1 . . 1 1 11 11 LYS H H . . . 1 1 10 10 LEU HG H . . . . . 3.0 1.8 3.8 . . . . . A . 11 LYS H . . A . 10 LEU HG . . . 11 . HN . . . . . 10 . HG . . rr_6mk8 1
56 1 OR . 1 1 11 11 LYS H H . . . 1 1 10 10 LEU HB2 H . . . . . 3.0 1.8 5.0 . . . . . A . 11 LYS H . . A . 10 LEU HB2 . . . 11 . HN . . . . . 10 . HB# . . rr_6mk8 1
56 2 OR . 1 1 11 11 LYS H H . . . 1 1 10 10 LEU HB3 H . . . . . 3.0 1.8 5.0 . . . . . A . 11 LYS H . . A . 10 LEU HB3 . . . 11 . HN . . . . . 10 . HB# . . rr_6mk8 1
57 1 . . 1 1 10 10 LEU H H . . . 1 1 12 12 LEU H H . . . . . 4.0 1.8 6.0 . . . . . A . 10 LEU H . . A . 12 LEU H . . . 10 . HN . . . . . 12 . HN . . rr_6mk8 1
58 1 . . 1 1 12 12 LEU H H . . . 1 1 10 10 LEU HA H . . . . . 3.0 1.8 3.8 . . . . . A . 12 LEU H . . A . 10 LEU HA . . . 12 . HN . . . . . 10 . HA . . rr_6mk8 1
59 1 . . 1 1 11 11 LYS QZ H . . . 1 1 11 11 LYS HG3 H . . . . . 4.0 1.8 6.5 . . . . . A . 11 LYS QZ . . A . 11 LYS HG3 . . . 11 . HZ# . . . . . 11 . HG1 . . rr_6mk8 1
60 1 OR . 1 1 11 11 LYS QZ H . . . 1 1 11 11 LYS HD2 H . . . . . 4.0 1.8 6.0 . . . . . A . 11 LYS QZ . . A . 11 LYS HD2 . . . 11 . HZ# . . . . . 11 . HD# . . rr_6mk8 1
60 2 OR . 1 1 11 11 LYS QZ H . . . 1 1 11 11 LYS HD3 H . . . . . 4.0 1.8 6.0 . . . . . A . 11 LYS QZ . . A . 11 LYS HD3 . . . 11 . HZ# . . . . . 11 . HD# . . rr_6mk8 1
61 1 . . 1 1 11 11 LYS H H . . . 1 1 11 11 LYS HG2 H . . . . . 3.0 1.8 4.8 . . . . . A . 11 LYS H . . A . 11 LYS HG2 . . . 11 . HN . . . . . 11 . HG2 . . rr_6mk8 1
62 1 OR . 1 1 11 11 LYS H H . . . 1 1 11 11 LYS HD2 H . . . . . 3.0 1.8 5.0 . . . . . A . 11 LYS H . . A . 11 LYS HD2 . . . 11 . HN . . . . . 11 . HD# . . rr_6mk8 1
62 2 OR . 1 1 11 11 LYS H H . . . 1 1 11 11 LYS HD3 H . . . . . 3.0 1.8 5.0 . . . . . A . 11 LYS H . . A . 11 LYS HD3 . . . 11 . HN . . . . . 11 . HD# . . rr_6mk8 1
63 1 OR . 1 1 11 11 LYS H H . . . 1 1 11 11 LYS HB2 H . . . . . 3.0 1.8 5.0 . . . . . A . 11 LYS H . . A . 11 LYS HB2 . . . 11 . HN . . . . . 11 . HB# . . rr_6mk8 1
63 2 OR . 1 1 11 11 LYS H H . . . 1 1 11 11 LYS HB3 H . . . . . 3.0 1.8 5.0 . . . . . A . 11 LYS H . . A . 11 LYS HB3 . . . 11 . HN . . . . . 11 . HB# . . rr_6mk8 1
64 1 OR . 1 1 12 12 LEU H H . . . 1 1 11 11 LYS HB2 H . . . . . 3.0 1.8 5.0 . . . . . A . 12 LEU H . . A . 11 LYS HB2 . . . 12 . HN . . . . . 11 . HB# . . rr_6mk8 1
64 2 OR . 1 1 12 12 LEU H H . . . 1 1 11 11 LYS HB3 H . . . . . 3.0 1.8 5.0 . . . . . A . 12 LEU H . . A . 11 LYS HB3 . . . 12 . HN . . . . . 11 . HB# . . rr_6mk8 1
65 1 . . 1 1 11 11 LYS H H . . . 1 1 12 12 LEU H H . . . . . 3.0 1.8 3.5 . . . . . A . 11 LYS H . . A . 12 LEU H . . . 11 . HN . . . . . 12 . HN . . rr_6mk8 1
66 1 . . 1 1 12 12 LEU H H . . . 1 1 12 12 LEU HG H . . . . . 3.0 1.8 3.8 . . . . . A . 12 LEU H . . A . 12 LEU HG . . . 12 . HN . . . . . 12 . HG . . rr_6mk8 1
67 1 OR . 1 1 12 12 LEU H H . . . 1 1 12 12 LEU MD1 H . . . . . 3.0 1.8 5.5 . . . . . A . 12 LEU H . . A . 12 LEU MD1 . . . 12 . HN . . . . . 12 . HD* . . rr_6mk8 1
67 2 OR . 1 1 12 12 LEU H H . . . 1 1 12 12 LEU MD2 H . . . . . 3.0 1.8 5.5 . . . . . A . 12 LEU H . . A . 12 LEU MD2 . . . 12 . HN . . . . . 12 . HD* . . rr_6mk8 1
68 1 OR . 1 1 12 12 LEU H H . . . 1 1 12 12 LEU HB2 H . . . . . 3.0 1.8 5.0 . . . . . A . 12 LEU H . . A . 12 LEU HB2 . . . 12 . HN . . . . . 12 . HB# . . rr_6mk8 1
68 2 OR . 1 1 12 12 LEU H H . . . 1 1 12 12 LEU HB3 H . . . . . 3.0 1.8 5.0 . . . . . A . 12 LEU H . . A . 12 LEU HB3 . . . 12 . HN . . . . . 12 . HB# . . rr_6mk8 1
69 1 . . 1 1 13 13 LEU HG H . . . 1 1 13 13 LEU H H . . . . . 3.0 1.8 3.8 . . . . . A . 13 LEU HG . . A . 13 LEU H . . . 13 . HG . . . . . 13 . HN . . rr_6mk8 1
70 1 OR . 1 1 13 13 LEU H H . . . 1 1 13 13 LEU MD1 H . . . . . 3.0 1.8 5.5 . . . . . A . 13 LEU H . . A . 13 LEU MD1 . . . 13 . HN . . . . . 13 . HD* . . rr_6mk8 1
70 2 OR . 1 1 13 13 LEU H H . . . 1 1 13 13 LEU MD2 H . . . . . 3.0 1.8 5.5 . . . . . A . 13 LEU H . . A . 13 LEU MD2 . . . 13 . HN . . . . . 13 . HD* . . rr_6mk8 1
71 1 OR . 1 1 13 13 LEU H H . . . 1 1 13 13 LEU HB2 H . . . . . 3.0 1.8 5.0 . . . . . A . 13 LEU H . . A . 13 LEU HB2 . . . 13 . HN . . . . . 13 . HB# . . rr_6mk8 1
71 2 OR . 1 1 13 13 LEU HB3 H . . . 1 1 13 13 LEU H H . . . . . 3.0 1.8 5.0 . . . . . A . 13 LEU HB3 . . A . 13 LEU H . . . 13 . HB# . . . . . 13 . HN . . rr_6mk8 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: G503_restraints.tbl" 1 1 1 40 rr_6mk8 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
;The FOLLOWING IS A LIST OF NMR RESTRAINTS OBTAINED FROM THE STRUCTURAL CALCULATIONS OF DFT503
THIS PART CONTAINS DISTANCE INFORMATION.
pck2xplr.nawk Table; Input File: noe1027
Date: Mon Oct 27 12:12:08 EST 2014
Path: /hbar1/gswang/G503/g503sds40_wgnoesy_25c55_102314.fid @ BEGIN_XPLR_PCK_SUM
LBL File-Name All Intra Seq. Short Long
A noe1027 83 35 30 18 0
Total 83 35 30 18 0
@ END_XPLR_PCK_SUM
@ BEGIN_XPLR_NOE_FILE 1
;
2 1 16 4 rr_6mk8 1
2 "A.34 at 9.67e+04" 17 77 17 97 rr_6mk8 1
3
;A.33 at 1.18e+05
2
;
18 77 20 4 rr_6mk8 1
4 "A.65 at 3.91e+04" 21 77 21 97 rr_6mk8 1
5 "A.64 at 3.96e+04" 22 77 22 97 rr_6mk8 1
6 "A.63 at 7.23e+04" 23 77 23 97 rr_6mk8 1
7 "A.62 at 2.36e+05" 24 77 24 97 rr_6mk8 1
8 "A.72 at 3.92e+04" 25 77 25 97 rr_6mk8 1
9 "A.74 at 5.98e+04" 26 77 26 97 rr_6mk8 1
10 "A.73 at 6.40e+04" 27 77 27 97 rr_6mk8 1
11 "A.1 at 7.03e+04" 28 77 28 97 rr_6mk8 1
12 "A.31 at 9.53e+04" 29 77 29 97 rr_6mk8 1
13
;A.32 at 2.32e+04
3
;
30 77 32 4 rr_6mk8 1
14 "A.46 at 1.24e+05" 33 77 33 97 rr_6mk8 1
15 "A.41 at 5.08e+04" 34 77 34 97 rr_6mk8 1
16 "A.6 at 6.77e+04" 35 77 35 97 rr_6mk8 1
17 "A.40 at 7.48e+04" 36 77 36 97 rr_6mk8 1
18 "A.8 at 1.55e+04" 37 77 37 97 rr_6mk8 1
19
;A.54 at 2.49e+04
4
;
38 77 40 4 rr_6mk8 1
20 "A.76 at 1.43e+05" 41 77 41 97 rr_6mk8 1
21 "A.77 at 1.55e+05" 42 77 42 97 rr_6mk8 1
22 "A.38 at 3.68e+04" 43 77 43 97 rr_6mk8 1
23 "A.11 at 6.12e+04" 44 77 44 97 rr_6mk8 1
24 "A.87 at 8.92e+04" 45 77 45 97 rr_6mk8 1
25 "A.52 at 1.87e+04" 46 77 46 97 rr_6mk8 1
26
;A.16 at 2.47e+04
5
;
47 77 49 4 rr_6mk8 1
27 "A.86 at 1.81e+05" 50 77 50 97 rr_6mk8 1
28 "A.90 at 4.89e+04" 51 77 51 97 rr_6mk8 1
29 "A.93 at 7.03e+04" 52 77 52 97 rr_6mk8 1
30 "A.13 at 1.05e+05" 53 77 53 97 rr_6mk8 1
31
;A.43 at 2.82e+04
6
;
54 77 56 4 rr_6mk8 1
32 "A.89 at 2.36e+05" 57 77 57 97 rr_6mk8 1
33
;A.49 at 6.03e+04
7
;
58 77 60 4 rr_6mk8 1
34 "A.14 at 2.60e+04" 61 77 61 97 rr_6mk8 1
35
;A.45 at 2.87e+04
8
;
62 77 64 4 rr_6mk8 1
36 "A.80 at 3.64e+04" 65 77 65 97 rr_6mk8 1
37 "A.79 at 4.65e+04" 66 77 66 97 rr_6mk8 1
38 "A.4 at 2.95e+04" 67 77 67 97 rr_6mk8 1
39 "A.48 at 4.20e+04" 68 77 68 97 rr_6mk8 1
40 "A.67 at 8.11e+04" 69 77 69 97 rr_6mk8 1
41 "A.66 at 8.62e+04" 70 77 70 97 rr_6mk8 1
42
;A.56 at 6.42e+04
9
;
71 77 73 4 rr_6mk8 1
43 "A.36 at 3.45e+04" 74 77 74 97 rr_6mk8 1
44 "A.2 at 6.07e+04" 75 77 75 97 rr_6mk8 1
45 "A.7 at 1.53e+04" 76 77 76 97 rr_6mk8 1
46 "A.37 at 1.42e+04" 77 77 77 97 rr_6mk8 1
47 "A.102 at 3.56e+04" 78 77 78 98 rr_6mk8 1
48 A.add 79 77 79 84 rr_6mk8 1
49 "A.5 at 1.79e+04" 80 77 80 97 rr_6mk8 1
50
;A.104 at 8.31e+04
10
;
81 77 83 5 rr_6mk8 1
51 "A.69 at 4.26e+04" 84 77 84 97 rr_6mk8 1
52 "A.70 at 7.16e+04" 85 77 85 97 rr_6mk8 1
53 "A.68 at 1.23e+05" 86 77 86 97 rr_6mk8 1
54 "A.71 at 1.49e+04" 87 77 87 97 rr_6mk8 1
55 "A.9 at 5.31e+04" 88 77 88 97 rr_6mk8 1
56 "A.83 at 8.01e+04" 89 77 89 97 rr_6mk8 1
57 "A.82 at 9.61e+04" 90 77 90 97 rr_6mk8 1
58 "A.15 at 1.37e+04" 91 77 91 97 rr_6mk8 1
59 "A.59 at 8.36e+04" 92 77 92 97 rr_6mk8 1
60 "A.22 at 2.13e+04" 93 77 93 97 rr_6mk8 1
61
;A.21 at 3.73e+04
11
;
94 77 96 5 rr_6mk8 1
62 "A.111 at 1.28e+04" 97 77 97 97 rr_6mk8 1
63 "A.110 at 2.80e+04" 98 77 98 97 rr_6mk8 1
64 "A.84 at 3.16e+04" 99 77 99 97 rr_6mk8 1
65 "A.85 at 4.92e+04" 100 77 100 97 rr_6mk8 1
66 "A.81 at 3.08e+05" 101 77 101 97 rr_6mk8 1
67 "A.97 at 7.35e+04" 102 77 102 97 rr_6mk8 1
68
;A.12 at 8.58e+04
12
;
103 77 105 5 rr_6mk8 1
69 "A.100 at 7.43e+04" 106 77 106 97 rr_6mk8 1
70 "A.107 at 1.16e+05" 107 77 107 97 rr_6mk8 1
71
;A.98 at 1.46e+05
13
;
108 77 110 5 rr_6mk8 1
72 "A.26 at 1.52e+04" 111 77 111 97 rr_6mk8 1
73 "A.20 at 1.73e+04" 112 77 112 97 rr_6mk8 1
74 "A.24 at 1.87e+04" 113 77 113 97 rr_6mk8 1
75 "A.18 at 1.90e+04" 114 77 114 97 rr_6mk8 1
76 "A.25 at 2.38e+04" 115 77 115 97 rr_6mk8 1
77 "A.19 at 2.63e+04" 116 77 116 97 rr_6mk8 1
78 "A.28 at 3.02e+04" 117 77 117 97 rr_6mk8 1
79 "A.23 at 3.09e+04" 118 77 118 97 rr_6mk8 1
80 "A.17 at 3.30e+04" 119 77 119 97 rr_6mk8 1
81 "A.27 at 3.87e+04" 120 77 120 97 rr_6mk8 1
82 "A.96 at 7.57e+04" 121 77 121 97 rr_6mk8 1
83 "A.106 at 7.87e+04" 122 77 122 97 rr_6mk8 1
84 "A.94 at 1.27e+05" 123 77 123 97 rr_6mk8 1
stop_
loop_
_Gen_dist_constraint_conv_err.ID
_Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID
_Gen_dist_constraint_conv_err.Parse_file_constraint_ID
_Gen_dist_constraint_conv_err.Conv_error_type
_Gen_dist_constraint_conv_err.Conv_error_note
_Gen_dist_constraint_conv_err.Entry_ID
_Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID
1 2 59 1 "Not handling restraint 59, item 1, resonance(s) ' .13.H2' (nmrStar names) not linked" rr_6mk8 1
2 2 60 1 "Not handling restraint 60, item 1, resonance(s) ' .13.H1' (nmrStar names) not linked" rr_6mk8 1
3 2 71 1 "Not handling restraint 71, item 1, resonance(s) ' .13.H2' (nmrStar names) not linked" rr_6mk8 1
4 2 72 1 "Not handling restraint 72, item 1, resonance(s) ' .13.H2' (nmrStar names) not linked" rr_6mk8 1
5 2 73 1 "Not handling restraint 73, item 1, resonance(s) ' .13.H2' (nmrStar names) not linked" rr_6mk8 1
6 2 73 1 "Not handling restraint 73, item 1, resonance(s) ' .13.H2' (nmrStar names) not linked" rr_6mk8 1
7 2 74 1 "Not handling restraint 74, item 1, resonance(s) ' .13.H2' (nmrStar names) not linked" rr_6mk8 1
8 2 75 1 "Not handling restraint 75, item 1, resonance(s) ' .13.H1' (nmrStar names) not linked" rr_6mk8 1
9 2 76 1 "Not handling restraint 76, item 1, resonance(s) ' .13.H1' (nmrStar names) not linked" rr_6mk8 1
10 2 77 1 "Not handling restraint 77, item 1, resonance(s) ' .13.H2' (nmrStar names) not linked" rr_6mk8 1
11 2 77 1 "Not handling restraint 77, item 1, resonance(s) ' .13.H2' (nmrStar names) not linked" rr_6mk8 1
12 2 78 1 "Not handling restraint 78, item 1, resonance(s) ' .13.H1' (nmrStar names) not linked" rr_6mk8 1
13 2 78 1 "Not handling restraint 78, item 1, resonance(s) ' .13.H1' (nmrStar names) not linked" rr_6mk8 1
14 2 79 1 "Not handling restraint 79, item 1, resonance(s) ' .13.H1' (nmrStar names) not linked" rr_6mk8 1
15 2 80 1 "Not handling restraint 80, item 1, resonance(s) ' .13.H1' (nmrStar names) not linked" rr_6mk8 1
16 2 80 1 "Not handling restraint 80, item 1, resonance(s) ' .13.H1' (nmrStar names) not linked" rr_6mk8 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_6mk8
_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_6mk8 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_6mk8 1
2 1 . . . rr_6mk8 1
3 1 . . . rr_6mk8 1
4 1 . . . rr_6mk8 1
5 1 . . . rr_6mk8 1
6 1 2 . OR rr_6mk8 1
6 2 . 3 . rr_6mk8 1
6 3 . . . rr_6mk8 1
7 1 . . . rr_6mk8 1
8 1 . . . rr_6mk8 1
9 1 2 . OR rr_6mk8 1
9 2 . 3 . rr_6mk8 1
9 3 . . . rr_6mk8 1
10 1 . . . rr_6mk8 1
11 1 . . . rr_6mk8 1
12 1 . . . rr_6mk8 1
13 1 2 . OR rr_6mk8 1
13 2 . 3 . rr_6mk8 1
13 3 . . . rr_6mk8 1
14 1 2 . OR rr_6mk8 1
14 2 . 3 . rr_6mk8 1
14 3 . . . rr_6mk8 1
15 1 . . . rr_6mk8 1
16 1 . . . rr_6mk8 1
17 1 . . . rr_6mk8 1
18 1 . . . rr_6mk8 1
19 1 . . . rr_6mk8 1
20 1 . . . rr_6mk8 1
21 1 . . . rr_6mk8 1
22 1 . . . rr_6mk8 1
23 1 . . . rr_6mk8 1
24 1 . . . rr_6mk8 1
25 1 . . . rr_6mk8 1
26 1 . . . rr_6mk8 1
27 1 . . . rr_6mk8 1
28 1 . . . rr_6mk8 1
29 1 . . . rr_6mk8 1
30 1 . . . rr_6mk8 1
31 1 2 . OR rr_6mk8 1
31 2 . 3 . rr_6mk8 1
31 3 . . . rr_6mk8 1
32 1 . . . rr_6mk8 1
33 1 . . . rr_6mk8 1
34 1 . . . rr_6mk8 1
35 1 . . . rr_6mk8 1
36 1 2 . OR rr_6mk8 1
36 2 . 3 . rr_6mk8 1
36 3 . . . rr_6mk8 1
37 1 . . . rr_6mk8 1
38 1 . . . rr_6mk8 1
39 1 . . . rr_6mk8 1
40 1 2 . OR rr_6mk8 1
40 2 . 3 . rr_6mk8 1
40 3 . . . rr_6mk8 1
41 1 . . . rr_6mk8 1
42 1 2 . OR rr_6mk8 1
42 2 . 3 . rr_6mk8 1
42 3 . . . rr_6mk8 1
43 1 . . . rr_6mk8 1
44 1 . . . rr_6mk8 1
45 1 2 . OR rr_6mk8 1
45 2 . 3 . rr_6mk8 1
45 3 . . . rr_6mk8 1
46 1 2 . OR rr_6mk8 1
46 2 . 3 . rr_6mk8 1
46 3 . 4 . rr_6mk8 1
46 4 . 5 . rr_6mk8 1
46 5 . . . rr_6mk8 1
47 1 2 . OR rr_6mk8 1
47 2 . 3 . rr_6mk8 1
47 3 . . . rr_6mk8 1
48 1 . . . rr_6mk8 1
49 1 2 . OR rr_6mk8 1
49 2 . 3 . rr_6mk8 1
49 3 . 4 . rr_6mk8 1
49 4 . 5 . rr_6mk8 1
49 5 . . . rr_6mk8 1
50 1 . . . rr_6mk8 1
51 1 . . . rr_6mk8 1
52 1 2 . OR rr_6mk8 1
52 2 . 3 . rr_6mk8 1
52 3 . . . rr_6mk8 1
53 1 2 . OR rr_6mk8 1
53 2 . 3 . rr_6mk8 1
53 3 . . . rr_6mk8 1
54 1 . . . rr_6mk8 1
55 1 . . . rr_6mk8 1
56 1 2 . OR rr_6mk8 1
56 2 . 3 . rr_6mk8 1
56 3 . . . rr_6mk8 1
57 1 . . . rr_6mk8 1
58 1 . . . rr_6mk8 1
59 1 . . . rr_6mk8 1
60 1 2 . OR rr_6mk8 1
60 2 . 3 . rr_6mk8 1
60 3 . . . rr_6mk8 1
61 1 . . . rr_6mk8 1
62 1 2 . OR rr_6mk8 1
62 2 . 3 . rr_6mk8 1
62 3 . . . rr_6mk8 1
63 1 2 . OR rr_6mk8 1
63 2 . 3 . rr_6mk8 1
63 3 . . . rr_6mk8 1
64 1 2 . OR rr_6mk8 1
64 2 . 3 . rr_6mk8 1
64 3 . . . rr_6mk8 1
65 1 . . . rr_6mk8 1
66 1 . . . rr_6mk8 1
67 1 2 . OR rr_6mk8 1
67 2 . 3 . rr_6mk8 1
67 3 . . . rr_6mk8 1
68 1 2 . OR rr_6mk8 1
68 2 . 3 . rr_6mk8 1
68 3 . . . rr_6mk8 1
69 1 . . . rr_6mk8 1
70 1 2 . OR rr_6mk8 1
70 2 . 3 . rr_6mk8 1
70 3 . . . rr_6mk8 1
71 1 2 . OR rr_6mk8 1
71 2 . 3 . rr_6mk8 1
71 3 . . . rr_6mk8 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Contribution_fractional_val
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Atom_type
_Dist_constraint.Atom_isotope_number
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_entity_assembly_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 . 1 . 1 1 1 1 GLY HA2 H . . . . 1 . HA2 rr_6mk8 1
1 1 . 2 . 1 1 2 2 LEU H H . . . . 2 . HN rr_6mk8 1
2 1 . 1 . 1 1 1 1 GLY HA3 H . . . . 1 . HA1 rr_6mk8 1
2 1 . 2 . 1 1 2 2 LEU H H . . . . 2 . HN rr_6mk8 1
3 1 . 1 . 1 1 2 2 LEU H H . . . . 2 . HN rr_6mk8 1
3 1 . 2 . 1 1 2 2 LEU MD2 H . . . . 2 . HD2# rr_6mk8 1
4 1 . 1 . 1 1 2 2 LEU H H . . . . 2 . HN rr_6mk8 1
4 1 . 2 . 1 1 2 2 LEU MD1 H . . . . 2 . HD1# rr_6mk8 1
5 1 . 1 . 1 1 2 2 LEU H H . . . . 2 . HN rr_6mk8 1
5 1 . 2 . 1 1 2 2 LEU HG H . . . . 2 . HG rr_6mk8 1
6 2 . 1 . 1 1 2 2 LEU H H . . . . 2 . HN rr_6mk8 1
6 2 . 2 . 1 1 2 2 LEU HB2 H . . . . 2 . HB# rr_6mk8 1
6 3 . 1 . 1 1 2 2 LEU H H . . . . 2 . HN rr_6mk8 1
6 3 . 2 . 1 1 2 2 LEU HB3 H . . . . 2 . HB# rr_6mk8 1
7 1 . 1 . 1 1 2 2 LEU MD2 H . . . . 2 . HD2# rr_6mk8 1
7 1 . 2 . 1 1 3 3 SER H H . . . . 3 . HN rr_6mk8 1
8 1 . 1 . 1 1 2 2 LEU HG H . . . . 2 . HG rr_6mk8 1
8 1 . 2 . 1 1 3 3 SER H H . . . . 3 . HN rr_6mk8 1
9 2 . 1 . 1 1 2 2 LEU HB2 H . . . . 2 . HB# rr_6mk8 1
9 2 . 2 . 1 1 3 3 SER H H . . . . 3 . HN rr_6mk8 1
9 3 . 1 . 1 1 2 2 LEU HB3 H . . . . 2 . HB# rr_6mk8 1
9 3 . 2 . 1 1 3 3 SER H H . . . . 3 . HN rr_6mk8 1
10 1 . 1 . 1 1 2 2 LEU H H . . . . 2 . HN rr_6mk8 1
10 1 . 2 . 1 1 3 3 SER H H . . . . 3 . HN rr_6mk8 1
11 1 . 1 . 1 1 2 2 LEU HA H . . . . 2 . HA rr_6mk8 1
11 1 . 2 . 1 1 3 3 SER H H . . . . 3 . HN rr_6mk8 1
12 1 . 1 . 1 1 2 2 LEU HA H . . . . 2 . HA rr_6mk8 1
12 1 . 2 . 1 1 5 5 LEU H H . . . . 5 . HN rr_6mk8 1
13 2 . 1 . 1 1 3 3 SER H H . . . . 3 . HN rr_6mk8 1
13 2 . 2 . 1 1 3 3 SER HB2 H . . . . 3 . HB# rr_6mk8 1
13 3 . 1 . 1 1 3 3 SER H H . . . . 3 . HN rr_6mk8 1
13 3 . 2 . 1 1 3 3 SER HB3 H . . . . 3 . HB# rr_6mk8 1
14 2 . 1 . 1 1 3 3 SER HB2 H . . . . 3 . HB# rr_6mk8 1
14 2 . 2 . 1 1 4 4 LEU H H . . . . 4 . HN rr_6mk8 1
14 3 . 1 . 1 1 3 3 SER HB3 H . . . . 3 . HB# rr_6mk8 1
14 3 . 2 . 1 1 4 4 LEU H H . . . . 4 . HN rr_6mk8 1
15 1 . 1 . 1 1 3 3 SER H H . . . . 3 . HN rr_6mk8 1
15 1 . 2 . 1 1 4 4 LEU H H . . . . 4 . HN rr_6mk8 1
16 1 . 1 . 1 1 3 3 SER HA H . . . . 3 . HA rr_6mk8 1
16 1 . 2 . 1 1 4 4 LEU H H . . . . 4 . HN rr_6mk8 1
17 1 . 1 . 1 1 3 3 SER H H . . . . 3 . HN rr_6mk8 1
17 1 . 2 . 1 1 5 5 LEU H H . . . . 5 . HN rr_6mk8 1
18 1 . 1 . 1 1 3 3 SER HA H . . . . 3 . HA rr_6mk8 1
18 1 . 2 . 1 1 5 5 LEU H H . . . . 5 . HN rr_6mk8 1
19 1 . 1 . 1 1 4 4 LEU H H . . . . 4 . HN rr_6mk8 1
19 1 . 2 . 1 1 4 4 LEU HB3 H . . . . 4 . HB1 rr_6mk8 1
20 1 . 1 . 1 1 4 4 LEU H H . . . . 4 . HN rr_6mk8 1
20 1 . 2 . 1 1 4 4 LEU HB2 H . . . . 4 . HB2 rr_6mk8 1
21 1 . 1 . 1 1 4 4 LEU HA H . . . . 4 . HA rr_6mk8 1
21 1 . 2 . 1 1 5 5 LEU H H . . . . 5 . HN rr_6mk8 1
22 1 . 1 . 1 1 4 4 LEU H H . . . . 4 . HN rr_6mk8 1
22 1 . 2 . 1 1 5 5 LEU H H . . . . 5 . HN rr_6mk8 1
23 1 . 1 . 1 1 4 4 LEU HB2 H . . . . 4 . HB2 rr_6mk8 1
23 1 . 2 . 1 1 5 5 LEU H H . . . . 5 . HN rr_6mk8 1
24 1 . 1 . 1 1 4 4 LEU HA H . . . . 4 . HA rr_6mk8 1
24 1 . 2 . 1 1 6 6 LEU H H . . . . 6 . HN rr_6mk8 1
25 1 . 1 . 1 1 4 4 LEU H H . . . . 4 . HN rr_6mk8 1
25 1 . 2 . 1 1 6 6 LEU H H . . . . 6 . HN rr_6mk8 1
26 1 . 1 . 1 1 5 5 LEU H H . . . . 5 . HN rr_6mk8 1
26 1 . 2 . 1 1 5 5 LEU HB3 H . . . . 5 . HB1 rr_6mk8 1
27 1 . 1 . 1 1 5 5 LEU HB2 H . . . . 5 . HB2 rr_6mk8 1
27 1 . 2 . 1 1 6 6 LEU H H . . . . 6 . HN rr_6mk8 1
28 1 . 1 . 1 1 5 5 LEU HB3 H . . . . 5 . HB1 rr_6mk8 1
28 1 . 2 . 1 1 6 6 LEU H H . . . . 6 . HN rr_6mk8 1
29 1 . 1 . 1 1 5 5 LEU H H . . . . 5 . HN rr_6mk8 1
29 1 . 2 . 1 1 6 6 LEU H H . . . . 6 . HN rr_6mk8 1
30 1 . 1 . 1 1 5 5 LEU HA H . . . . 5 . HA rr_6mk8 1
30 1 . 2 . 1 1 8 8 LEU H H . . . . 8 . HN rr_6mk8 1
31 2 . 1 . 1 1 6 6 LEU H H . . . . 6 . HN rr_6mk8 1
31 2 . 2 . 1 1 6 6 LEU HB2 H . . . . 6 . HB# rr_6mk8 1
31 3 . 1 . 1 1 6 6 LEU H H . . . . 6 . HN rr_6mk8 1
31 3 . 2 . 1 1 6 6 LEU HB3 H . . . . 6 . HB# rr_6mk8 1
32 1 . 1 . 1 1 6 6 LEU HA H . . . . 6 . HA rr_6mk8 1
32 1 . 2 . 1 1 9 9 GLY H H . . . . 9 . HN rr_6mk8 1
33 1 . 1 . 1 1 7 7 SER H H . . . . 7 . HN rr_6mk8 1
33 1 . 2 . 1 1 8 8 LEU H H . . . . 8 . HN rr_6mk8 1
34 1 . 1 . 1 1 7 7 SER HA H . . . . 7 . HA rr_6mk8 1
34 1 . 2 . 1 1 10 10 LEU H H . . . . 10 . HN rr_6mk8 1
35 1 . 1 . 1 1 8 8 LEU H H . . . . 8 . HN rr_6mk8 1
35 1 . 2 . 1 1 8 8 LEU HG H . . . . 8 . HG rr_6mk8 1
36 2 . 1 . 1 1 8 8 LEU H H . . . . 8 . HN rr_6mk8 1
36 2 . 2 . 1 1 8 8 LEU HB2 H . . . . 8 . HB# rr_6mk8 1
36 3 . 1 . 1 1 8 8 LEU H H . . . . 8 . HN rr_6mk8 1
36 3 . 2 . 1 1 8 8 LEU HB3 H . . . . 8 . HB# rr_6mk8 1
37 1 . 1 . 1 1 8 8 LEU H H . . . . 8 . HN rr_6mk8 1
37 1 . 2 . 1 1 9 9 GLY H H . . . . 9 . HN rr_6mk8 1
38 1 . 1 . 1 1 8 8 LEU HA H . . . . 8 . HA rr_6mk8 1
38 1 . 2 . 1 1 9 9 GLY H H . . . . 9 . HN rr_6mk8 1
39 1 . 1 . 1 1 8 8 LEU HG H . . . . 8 . HG rr_6mk8 1
39 1 . 2 . 1 1 9 9 GLY H H . . . . 9 . HN rr_6mk8 1
40 2 . 1 . 1 1 8 8 LEU HB2 H . . . . 8 . HB# rr_6mk8 1
40 2 . 2 . 1 1 9 9 GLY H H . . . . 9 . HN rr_6mk8 1
40 3 . 1 . 1 1 8 8 LEU HB3 H . . . . 8 . HB# rr_6mk8 1
40 3 . 2 . 1 1 9 9 GLY H H . . . . 9 . HN rr_6mk8 1
41 1 . 1 . 1 1 8 8 LEU HA H . . . . 8 . HA rr_6mk8 1
41 1 . 2 . 1 1 11 11 LYS H H . . . . 11 . HN rr_6mk8 1
42 2 . 1 . 1 1 9 9 GLY HA2 H . . . . 9 . HA# rr_6mk8 1
42 2 . 2 . 1 1 10 10 LEU H H . . . . 10 . HN rr_6mk8 1
42 3 . 1 . 1 1 9 9 GLY HA3 H . . . . 9 . HA# rr_6mk8 1
42 3 . 2 . 1 1 10 10 LEU H H . . . . 10 . HN rr_6mk8 1
43 1 . 1 . 1 1 9 9 GLY H H . . . . 9 . HN rr_6mk8 1
43 1 . 2 . 1 1 10 10 LEU H H . . . . 10 . HN rr_6mk8 1
44 1 . 1 . 1 1 9 9 GLY H H . . . . 9 . HN rr_6mk8 1
44 1 . 2 . 1 1 11 11 LYS H H . . . . 11 . HN rr_6mk8 1
45 2 . 1 . 1 1 9 9 GLY HA2 H . . . . 9 . HA# rr_6mk8 1
45 2 . 2 . 1 1 12 12 LEU H H . . . . 12 . HN rr_6mk8 1
45 3 . 1 . 1 1 9 9 GLY HA3 H . . . . 9 . HA# rr_6mk8 1
45 3 . 2 . 1 1 12 12 LEU H H . . . . 12 . HN rr_6mk8 1
46 2 . 1 . 1 1 9 9 GLY HA3 H . . . . 9 . HA# rr_6mk8 1
46 2 . 2 . 1 1 12 12 LEU HB2 H . . . . 12 . HB# rr_6mk8 1
46 3 . 1 . 1 1 9 9 GLY HA2 H . . . . 9 . HA# rr_6mk8 1
46 3 . 2 . 1 1 12 12 LEU HB2 H . . . . 12 . HB# rr_6mk8 1
46 4 . 1 . 1 1 9 9 GLY HA2 H . . . . 9 . HA# rr_6mk8 1
46 4 . 2 . 1 1 12 12 LEU HB3 H . . . . 12 . HB# rr_6mk8 1
46 5 . 1 . 1 1 9 9 GLY HA3 H . . . . 9 . HA# rr_6mk8 1
46 5 . 2 . 1 1 12 12 LEU HB3 H . . . . 12 . HB# rr_6mk8 1
47 2 . 1 . 1 1 9 9 GLY HA2 H . . . . 9 . HA# rr_6mk8 1
47 2 . 2 . 1 1 12 12 LEU HG H . . . . 12 . HG rr_6mk8 1
47 3 . 1 . 1 1 9 9 GLY HA3 H . . . . 9 . HA# rr_6mk8 1
47 3 . 2 . 1 1 12 12 LEU HG H . . . . 12 . HG rr_6mk8 1
48 1 . 1 . 1 1 9 9 GLY H H . . . . 9 . HN rr_6mk8 1
48 1 . 2 . 1 1 12 12 LEU H H . . . . 12 . HN rr_6mk8 1
49 2 . 1 . 1 1 9 9 GLY HA2 H . . . . 9 . HA# rr_6mk8 1
49 2 . 2 . 1 1 12 12 LEU MD1 H . . . . 12 . HD* rr_6mk8 1
49 3 . 1 . 1 1 9 9 GLY HA3 H . . . . 9 . HA# rr_6mk8 1
49 3 . 2 . 1 1 12 12 LEU MD1 H . . . . 12 . HD* rr_6mk8 1
49 4 . 1 . 1 1 9 9 GLY HA2 H . . . . 9 . HA# rr_6mk8 1
49 4 . 2 . 1 1 12 12 LEU MD2 H . . . . 12 . HD* rr_6mk8 1
49 5 . 1 . 1 1 9 9 GLY HA3 H . . . . 9 . HA# rr_6mk8 1
49 5 . 2 . 1 1 12 12 LEU MD2 H . . . . 12 . HD* rr_6mk8 1
50 1 . 1 . 1 1 10 10 LEU H H . . . . 10 . HN rr_6mk8 1
50 1 . 2 . 1 1 10 10 LEU HG H . . . . 10 . HG rr_6mk8 1
51 1 . 1 . 1 1 10 10 LEU H H . . . . 10 . HN rr_6mk8 1
51 1 . 2 . 1 1 10 10 LEU HG H . . . . 10 . HG* rr_6mk8 1
52 2 . 1 . 1 1 10 10 LEU H H . . . . 10 . HN rr_6mk8 1
52 2 . 2 . 1 1 10 10 LEU HB2 H . . . . 10 . HB# rr_6mk8 1
52 3 . 1 . 1 1 10 10 LEU H H . . . . 10 . HN rr_6mk8 1
52 3 . 2 . 1 1 10 10 LEU HB3 H . . . . 10 . HB# rr_6mk8 1
53 2 . 1 . 1 1 10 10 LEU H H . . . . 10 . HN rr_6mk8 1
53 2 . 2 . 1 1 11 11 LYS HB2 H . . . . 11 . HB# rr_6mk8 1
53 3 . 1 . 1 1 10 10 LEU H H . . . . 10 . HN rr_6mk8 1
53 3 . 2 . 1 1 11 11 LYS HB3 H . . . . 11 . HB# rr_6mk8 1
54 1 . 1 . 1 1 10 10 LEU H H . . . . 10 . HN rr_6mk8 1
54 1 . 2 . 1 1 11 11 LYS H H . . . . 11 . HN rr_6mk8 1
55 1 . 1 . 1 1 10 10 LEU HG H . . . . 10 . HG rr_6mk8 1
55 1 . 2 . 1 1 11 11 LYS H H . . . . 11 . HN rr_6mk8 1
56 2 . 1 . 1 1 10 10 LEU HB2 H . . . . 10 . HB# rr_6mk8 1
56 2 . 2 . 1 1 11 11 LYS H H . . . . 11 . HN rr_6mk8 1
56 3 . 1 . 1 1 10 10 LEU HB3 H . . . . 10 . HB# rr_6mk8 1
56 3 . 2 . 1 1 11 11 LYS H H . . . . 11 . HN rr_6mk8 1
57 1 . 1 . 1 1 10 10 LEU H H . . . . 10 . HN rr_6mk8 1
57 1 . 2 . 1 1 12 12 LEU H H . . . . 12 . HN rr_6mk8 1
58 1 . 1 . 1 1 10 10 LEU HA H . . . . 10 . HA rr_6mk8 1
58 1 . 2 . 1 1 12 12 LEU H H . . . . 12 . HN rr_6mk8 1
59 1 . 1 . 1 1 11 11 LYS QZ H . . . . 11 . HZ# rr_6mk8 1
59 1 . 2 . 1 1 11 11 LYS HG3 H . . . . 11 . HG1 rr_6mk8 1
60 2 . 1 . 1 1 11 11 LYS QZ H . . . . 11 . HZ# rr_6mk8 1
60 2 . 2 . 1 1 11 11 LYS HD2 H . . . . 11 . HD# rr_6mk8 1
60 3 . 1 . 1 1 11 11 LYS QZ H . . . . 11 . HZ# rr_6mk8 1
60 3 . 2 . 1 1 11 11 LYS HD3 H . . . . 11 . HD# rr_6mk8 1
61 1 . 1 . 1 1 11 11 LYS H H . . . . 11 . HN rr_6mk8 1
61 1 . 2 . 1 1 11 11 LYS HG2 H . . . . 11 . HG2 rr_6mk8 1
62 2 . 1 . 1 1 11 11 LYS H H . . . . 11 . HN rr_6mk8 1
62 2 . 2 . 1 1 11 11 LYS HD2 H . . . . 11 . HD# rr_6mk8 1
62 3 . 1 . 1 1 11 11 LYS H H . . . . 11 . HN rr_6mk8 1
62 3 . 2 . 1 1 11 11 LYS HD3 H . . . . 11 . HD# rr_6mk8 1
63 2 . 1 . 1 1 11 11 LYS H H . . . . 11 . HN rr_6mk8 1
63 2 . 2 . 1 1 11 11 LYS HB2 H . . . . 11 . HB# rr_6mk8 1
63 3 . 1 . 1 1 11 11 LYS H H . . . . 11 . HN rr_6mk8 1
63 3 . 2 . 1 1 11 11 LYS HB3 H . . . . 11 . HB# rr_6mk8 1
64 2 . 1 . 1 1 11 11 LYS HB2 H . . . . 11 . HB# rr_6mk8 1
64 2 . 2 . 1 1 12 12 LEU H H . . . . 12 . HN rr_6mk8 1
64 3 . 1 . 1 1 11 11 LYS HB3 H . . . . 11 . HB# rr_6mk8 1
64 3 . 2 . 1 1 12 12 LEU H H . . . . 12 . HN rr_6mk8 1
65 1 . 1 . 1 1 11 11 LYS H H . . . . 11 . HN rr_6mk8 1
65 1 . 2 . 1 1 12 12 LEU H H . . . . 12 . HN rr_6mk8 1
66 1 . 1 . 1 1 12 12 LEU H H . . . . 12 . HN rr_6mk8 1
66 1 . 2 . 1 1 12 12 LEU HG H . . . . 12 . HG rr_6mk8 1
67 2 . 1 . 1 1 12 12 LEU H H . . . . 12 . HN rr_6mk8 1
67 2 . 2 . 1 1 12 12 LEU MD1 H . . . . 12 . HD* rr_6mk8 1
67 3 . 1 . 1 1 12 12 LEU H H . . . . 12 . HN rr_6mk8 1
67 3 . 2 . 1 1 12 12 LEU MD2 H . . . . 12 . HD* rr_6mk8 1
68 2 . 1 . 1 1 12 12 LEU H H . . . . 12 . HN rr_6mk8 1
68 2 . 2 . 1 1 12 12 LEU HB2 H . . . . 12 . HB# rr_6mk8 1
68 3 . 1 . 1 1 12 12 LEU H H . . . . 12 . HN rr_6mk8 1
68 3 . 2 . 1 1 12 12 LEU HB3 H . . . . 12 . HB# rr_6mk8 1
69 1 . 1 . 1 1 13 13 LEU H H . . . . 13 . HN rr_6mk8 1
69 1 . 2 . 1 1 13 13 LEU HG H . . . . 13 . HG rr_6mk8 1
70 2 . 1 . 1 1 13 13 LEU H H . . . . 13 . HN rr_6mk8 1
70 2 . 2 . 1 1 13 13 LEU MD1 H . . . . 13 . HD* rr_6mk8 1
70 3 . 1 . 1 1 13 13 LEU H H . . . . 13 . HN rr_6mk8 1
70 3 . 2 . 1 1 13 13 LEU MD2 H . . . . 13 . HD* rr_6mk8 1
71 2 . 1 . 1 1 13 13 LEU H H . . . . 13 . HN rr_6mk8 1
71 2 . 2 . 1 1 13 13 LEU HB2 H . . . . 13 . HB# rr_6mk8 1
71 3 . 1 . 1 1 13 13 LEU H H . . . . 13 . HN rr_6mk8 1
71 3 . 2 . 1 1 13 13 LEU HB3 H . . . . 13 . HB# rr_6mk8 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 . . . . . . 3.0 1.8 3.5 rr_6mk8 1
2 1 . . . . . . 3.0 1.8 3.5 rr_6mk8 1
3 1 . . . . . . 3.0 1.8 4.5 rr_6mk8 1
4 1 . . . . . . 3.0 1.8 4.5 rr_6mk8 1
5 1 . . . . . . 3.0 1.8 3.8 rr_6mk8 1
6 2 . . . . . . 3.0 1.8 5.0 rr_6mk8 1
6 3 . . . . . . 3.0 1.8 5.0 rr_6mk8 1
7 1 . . . . . . 3.0 1.8 4.5 rr_6mk8 1
8 1 . . . . . . 3.0 1.8 3.8 rr_6mk8 1
9 2 . . . . . . 3.0 1.8 5.0 rr_6mk8 1
9 3 . . . . . . 3.0 1.8 5.0 rr_6mk8 1
10 1 . . . . . . 3.0 1.8 3.5 rr_6mk8 1
11 1 . . . . . . 3.0 1.8 3.5 rr_6mk8 1
12 1 . . . . . . 4.0 1.8 5.0 rr_6mk8 1
13 2 . . . . . . 3.0 1.8 5.0 rr_6mk8 1
13 3 . . . . . . 3.0 1.8 5.0 rr_6mk8 1
14 2 . . . . . . 3.0 1.8 5.0 rr_6mk8 1
14 3 . . . . . . 3.0 1.8 5.0 rr_6mk8 1
15 1 . . . . . . 3.0 1.8 3.5 rr_6mk8 1
16 1 . . . . . . 3.0 1.8 3.5 rr_6mk8 1
17 1 . . . . . . 4.0 1.8 6.0 rr_6mk8 1
18 1 . . . . . . 4.0 1.8 5.0 rr_6mk8 1
19 1 . . . . . . 3.0 1.8 3.8 rr_6mk8 1
20 1 . . . . . . 3.0 1.8 3.8 rr_6mk8 1
21 1 . . . . . . 3.0 1.8 3.8 rr_6mk8 1
22 1 . . . . . . 3.0 1.8 3.5 rr_6mk8 1
23 1 . . . . . . 3.0 1.8 3.8 rr_6mk8 1
24 1 . . . . . . 4.0 1.8 5.0 rr_6mk8 1
25 1 . . . . . . 4.0 1.8 5.0 rr_6mk8 1
26 1 . . . . . . 3.0 1.8 3.8 rr_6mk8 1
27 1 . . . . . . 3.0 1.8 3.8 rr_6mk8 1
28 1 . . . . . . 3.0 1.8 3.8 rr_6mk8 1
29 1 . . . . . . 3.0 1.8 3.5 rr_6mk8 1
30 1 . . . . . . 3.0 1.8 3.8 rr_6mk8 1
31 2 . . . . . . 3.0 1.8 5.0 rr_6mk8 1
31 3 . . . . . . 3.0 1.8 5.0 rr_6mk8 1
32 1 . . . . . . 3.0 1.8 3.8 rr_6mk8 1
33 1 . . . . . . 4.0 1.8 5.0 rr_6mk8 1
34 1 . . . . . . 3.0 1.8 3.8 rr_6mk8 1
35 1 . . . . . . 3.0 1.8 3.8 rr_6mk8 1
36 2 . . . . . . 3.0 1.8 5.0 rr_6mk8 1
36 3 . . . . . . 3.0 1.8 5.0 rr_6mk8 1
37 1 . . . . . . 3.0 1.8 3.5 rr_6mk8 1
38 1 . . . . . . 3.0 1.8 3.8 rr_6mk8 1
39 1 . . . . . . 3.0 1.8 3.8 rr_6mk8 1
40 2 . . . . . . 3.0 1.8 5.0 rr_6mk8 1
40 3 . . . . . . 3.0 1.8 5.0 rr_6mk8 1
41 1 . . . . . . 3.0 1.8 3.8 rr_6mk8 1
42 2 . . . . . . 3.0 1.8 5.0 rr_6mk8 1
42 3 . . . . . . 3.0 1.8 5.0 rr_6mk8 1
43 1 . . . . . . 3.0 1.8 3.5 rr_6mk8 1
44 1 . . . . . . 4.0 1.8 6.0 rr_6mk8 1
45 2 . . . . . . 4.0 1.8 6.5 rr_6mk8 1
45 3 . . . . . . 4.0 1.8 6.5 rr_6mk8 1
46 2 . . . . . . 3.0 1.8 5.3 rr_6mk8 1
46 3 . . . . . . 3.0 1.8 5.3 rr_6mk8 1
46 4 . . . . . . 3.0 1.8 5.3 rr_6mk8 1
46 5 . . . . . . 3.0 1.8 5.3 rr_6mk8 1
47 2 . . . . . . 4.0 1.8 6.5 rr_6mk8 1
47 3 . . . . . . 4.0 1.8 6.5 rr_6mk8 1
48 1 . . . . . . 4.0 1.8 5.0 rr_6mk8 1
49 2 . . . . . . 3.0 1.8 5.8 rr_6mk8 1
49 3 . . . . . . 3.0 1.8 5.8 rr_6mk8 1
49 4 . . . . . . 3.0 1.8 5.8 rr_6mk8 1
49 5 . . . . . . 3.0 1.8 5.8 rr_6mk8 1
50 1 . . . . . . 3.0 1.8 3.8 rr_6mk8 1
51 1 . . . . . . 3.0 1.8 5.5 rr_6mk8 1
52 2 . . . . . . 3.0 1.8 5.0 rr_6mk8 1
52 3 . . . . . . 3.0 1.8 5.0 rr_6mk8 1
53 2 . . . . . . 4.0 1.8 7.5 rr_6mk8 1
53 3 . . . . . . 4.0 1.8 7.5 rr_6mk8 1
54 1 . . . . . . 3.0 1.8 3.5 rr_6mk8 1
55 1 . . . . . . 3.0 1.8 3.8 rr_6mk8 1
56 2 . . . . . . 3.0 1.8 5.0 rr_6mk8 1
56 3 . . . . . . 3.0 1.8 5.0 rr_6mk8 1
57 1 . . . . . . 4.0 1.8 6.0 rr_6mk8 1
58 1 . . . . . . 3.0 1.8 3.8 rr_6mk8 1
59 1 . . . . . . 4.0 1.8 6.5 rr_6mk8 1
60 2 . . . . . . 4.0 1.8 6.0 rr_6mk8 1
60 3 . . . . . . 4.0 1.8 6.0 rr_6mk8 1
61 1 . . . . . . 3.0 1.8 4.8 rr_6mk8 1
62 2 . . . . . . 3.0 1.8 5.0 rr_6mk8 1
62 3 . . . . . . 3.0 1.8 5.0 rr_6mk8 1
63 2 . . . . . . 3.0 1.8 5.0 rr_6mk8 1
63 3 . . . . . . 3.0 1.8 5.0 rr_6mk8 1
64 2 . . . . . . 3.0 1.8 5.0 rr_6mk8 1
64 3 . . . . . . 3.0 1.8 5.0 rr_6mk8 1
65 1 . . . . . . 3.0 1.8 3.5 rr_6mk8 1
66 1 . . . . . . 3.0 1.8 3.8 rr_6mk8 1
67 2 . . . . . . 3.0 1.8 5.5 rr_6mk8 1
67 3 . . . . . . 3.0 1.8 5.5 rr_6mk8 1
68 2 . . . . . . 3.0 1.8 5.0 rr_6mk8 1
68 3 . . . . . . 3.0 1.8 5.0 rr_6mk8 1
69 1 . . . . . . 3.0 1.8 3.8 rr_6mk8 1
70 2 . . . . . . 3.0 1.8 5.5 rr_6mk8 1
70 3 . . . . . . 3.0 1.8 5.5 rr_6mk8 1
71 2 . . . . . . 3.0 1.8 5.0 rr_6mk8 1
71 3 . . . . . . 3.0 1.8 5.0 rr_6mk8 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: G503_restraints.tbl" 1 1 1 40 rr_6mk8 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
;The FOLLOWING IS A LIST OF NMR RESTRAINTS OBTAINED FROM THE STRUCTURAL CALCULATIONS OF DFT503
THIS PART CONTAINS DISTANCE INFORMATION.
pck2xplr.nawk Table; Input File: noe1027
Date: Mon Oct 27 12:12:08 EST 2014
Path: /hbar1/gswang/G503/g503sds40_wgnoesy_25c55_102314.fid @ BEGIN_XPLR_PCK_SUM
LBL File-Name All Intra Seq. Short Long
A noe1027 83 35 30 18 0
Total 83 35 30 18 0
@ END_XPLR_PCK_SUM
@ BEGIN_XPLR_NOE_FILE 1
;
2 1 16 4 rr_6mk8 1
2 "A.34 at 9.67e+04" 17 77 17 97 rr_6mk8 1
3
;A.33 at 1.18e+05
2
;
18 77 20 4 rr_6mk8 1
4 "A.65 at 3.91e+04" 21 77 21 97 rr_6mk8 1
5 "A.64 at 3.96e+04" 22 77 22 97 rr_6mk8 1
6 "A.63 at 7.23e+04" 23 77 23 97 rr_6mk8 1
7 "A.62 at 2.36e+05" 24 77 24 97 rr_6mk8 1
8 "A.72 at 3.92e+04" 25 77 25 97 rr_6mk8 1
9 "A.74 at 5.98e+04" 26 77 26 97 rr_6mk8 1
10 "A.73 at 6.40e+04" 27 77 27 97 rr_6mk8 1
11 "A.1 at 7.03e+04" 28 77 28 97 rr_6mk8 1
12 "A.31 at 9.53e+04" 29 77 29 97 rr_6mk8 1
13
;A.32 at 2.32e+04
3
;
30 77 32 4 rr_6mk8 1
14 "A.46 at 1.24e+05" 33 77 33 97 rr_6mk8 1
15 "A.41 at 5.08e+04" 34 77 34 97 rr_6mk8 1
16 "A.6 at 6.77e+04" 35 77 35 97 rr_6mk8 1
17 "A.40 at 7.48e+04" 36 77 36 97 rr_6mk8 1
18 "A.8 at 1.55e+04" 37 77 37 97 rr_6mk8 1
19
;A.54 at 2.49e+04
4
;
38 77 40 4 rr_6mk8 1
20 "A.76 at 1.43e+05" 41 77 41 97 rr_6mk8 1
21 "A.77 at 1.55e+05" 42 77 42 97 rr_6mk8 1
22 "A.38 at 3.68e+04" 43 77 43 97 rr_6mk8 1
23 "A.11 at 6.12e+04" 44 77 44 97 rr_6mk8 1
24 "A.87 at 8.92e+04" 45 77 45 97 rr_6mk8 1
25 "A.52 at 1.87e+04" 46 77 46 97 rr_6mk8 1
26
;A.16 at 2.47e+04
5
;
47 77 49 4 rr_6mk8 1
27 "A.86 at 1.81e+05" 50 77 50 97 rr_6mk8 1
28 "A.90 at 4.89e+04" 51 77 51 97 rr_6mk8 1
29 "A.93 at 7.03e+04" 52 77 52 97 rr_6mk8 1
30 "A.13 at 1.05e+05" 53 77 53 97 rr_6mk8 1
31
;A.43 at 2.82e+04
6
;
54 77 56 4 rr_6mk8 1
32 "A.89 at 2.36e+05" 57 77 57 97 rr_6mk8 1
33
;A.49 at 6.03e+04
7
;
58 77 60 4 rr_6mk8 1
34 "A.14 at 2.60e+04" 61 77 61 97 rr_6mk8 1
35
;A.45 at 2.87e+04
8
;
62 77 64 4 rr_6mk8 1
36 "A.80 at 3.64e+04" 65 77 65 97 rr_6mk8 1
37 "A.79 at 4.65e+04" 66 77 66 97 rr_6mk8 1
38 "A.4 at 2.95e+04" 67 77 67 97 rr_6mk8 1
39 "A.48 at 4.20e+04" 68 77 68 97 rr_6mk8 1
40 "A.67 at 8.11e+04" 69 77 69 97 rr_6mk8 1
41 "A.66 at 8.62e+04" 70 77 70 97 rr_6mk8 1
42
;A.56 at 6.42e+04
9
;
71 77 73 4 rr_6mk8 1
43 "A.36 at 3.45e+04" 74 77 74 97 rr_6mk8 1
44 "A.2 at 6.07e+04" 75 77 75 97 rr_6mk8 1
45 "A.7 at 1.53e+04" 76 77 76 97 rr_6mk8 1
46 "A.37 at 1.42e+04" 77 77 77 97 rr_6mk8 1
47 "A.102 at 3.56e+04" 78 77 78 98 rr_6mk8 1
48 A.add 79 77 79 84 rr_6mk8 1
49 "A.5 at 1.79e+04" 80 77 80 97 rr_6mk8 1
50
;A.104 at 8.31e+04
10
;
81 77 83 5 rr_6mk8 1
51 "A.69 at 4.26e+04" 84 77 84 97 rr_6mk8 1
52 "A.70 at 7.16e+04" 85 77 85 97 rr_6mk8 1
53 "A.68 at 1.23e+05" 86 77 86 97 rr_6mk8 1
54 "A.71 at 1.49e+04" 87 77 87 97 rr_6mk8 1
55 "A.9 at 5.31e+04" 88 77 88 97 rr_6mk8 1
56 "A.83 at 8.01e+04" 89 77 89 97 rr_6mk8 1
57 "A.82 at 9.61e+04" 90 77 90 97 rr_6mk8 1
58 "A.15 at 1.37e+04" 91 77 91 97 rr_6mk8 1
59 "A.59 at 8.36e+04" 92 77 92 97 rr_6mk8 1
60 "A.22 at 2.13e+04" 93 77 93 97 rr_6mk8 1
61
;A.21 at 3.73e+04
11
;
94 77 96 5 rr_6mk8 1
62 "A.111 at 1.28e+04" 97 77 97 97 rr_6mk8 1
63 "A.110 at 2.80e+04" 98 77 98 97 rr_6mk8 1
64 "A.84 at 3.16e+04" 99 77 99 97 rr_6mk8 1
65 "A.85 at 4.92e+04" 100 77 100 97 rr_6mk8 1
66 "A.81 at 3.08e+05" 101 77 101 97 rr_6mk8 1
67 "A.97 at 7.35e+04" 102 77 102 97 rr_6mk8 1
68
;A.12 at 8.58e+04
12
;
103 77 105 5 rr_6mk8 1
69 "A.100 at 7.43e+04" 106 77 106 97 rr_6mk8 1
70 "A.107 at 1.16e+05" 107 77 107 97 rr_6mk8 1
71
;A.98 at 1.46e+05
13
;
108 77 110 5 rr_6mk8 1
72 "A.26 at 1.52e+04" 111 77 111 97 rr_6mk8 1
73 "A.20 at 1.73e+04" 112 77 112 97 rr_6mk8 1
74 "A.24 at 1.87e+04" 113 77 113 97 rr_6mk8 1
75 "A.18 at 1.90e+04" 114 77 114 97 rr_6mk8 1
76 "A.25 at 2.38e+04" 115 77 115 97 rr_6mk8 1
77 "A.19 at 2.63e+04" 116 77 116 97 rr_6mk8 1
78 "A.28 at 3.02e+04" 117 77 117 97 rr_6mk8 1
79 "A.23 at 3.09e+04" 118 77 118 97 rr_6mk8 1
80 "A.17 at 3.30e+04" 119 77 119 97 rr_6mk8 1
81 "A.27 at 3.87e+04" 120 77 120 97 rr_6mk8 1
82 "A.96 at 7.57e+04" 121 77 121 97 rr_6mk8 1
83 "A.106 at 7.87e+04" 122 77 122 97 rr_6mk8 1
84 "A.94 at 1.27e+05" 123 77 123 97 rr_6mk8 1
stop_
loop_
_Dist_constraint_conv_err.ID
_Dist_constraint_conv_err.Dist_constraint_parse_file_ID
_Dist_constraint_conv_err.Parse_file_constraint_ID
_Dist_constraint_conv_err.Conv_error_type
_Dist_constraint_conv_err.Conv_error_note
_Dist_constraint_conv_err.Entry_ID
_Dist_constraint_conv_err.Distance_constraint_list_ID
1 2 59 1 "Not handling restraint 59, item 1, resonance(s) ' .13.H2' (nmrStar names) not linked" rr_6mk8 1
2 2 60 1 "Not handling restraint 60, item 1, resonance(s) ' .13.H1' (nmrStar names) not linked" rr_6mk8 1
3 2 71 1 "Not handling restraint 71, item 1, resonance(s) ' .13.H2' (nmrStar names) not linked" rr_6mk8 1
4 2 72 1 "Not handling restraint 72, item 1, resonance(s) ' .13.H2' (nmrStar names) not linked" rr_6mk8 1
5 2 73 1 "Not handling restraint 73, item 1, resonance(s) ' .13.H2' (nmrStar names) not linked" rr_6mk8 1
6 2 73 1 "Not handling restraint 73, item 1, resonance(s) ' .13.H2' (nmrStar names) not linked" rr_6mk8 1
7 2 74 1 "Not handling restraint 74, item 1, resonance(s) ' .13.H2' (nmrStar names) not linked" rr_6mk8 1
8 2 75 1 "Not handling restraint 75, item 1, resonance(s) ' .13.H1' (nmrStar names) not linked" rr_6mk8 1
9 2 76 1 "Not handling restraint 76, item 1, resonance(s) ' .13.H1' (nmrStar names) not linked" rr_6mk8 1
10 2 77 1 "Not handling restraint 77, item 1, resonance(s) ' .13.H2' (nmrStar names) not linked" rr_6mk8 1
11 2 77 1 "Not handling restraint 77, item 1, resonance(s) ' .13.H2' (nmrStar names) not linked" rr_6mk8 1
12 2 78 1 "Not handling restraint 78, item 1, resonance(s) ' .13.H1' (nmrStar names) not linked" rr_6mk8 1
13 2 78 1 "Not handling restraint 78, item 1, resonance(s) ' .13.H1' (nmrStar names) not linked" rr_6mk8 1
14 2 79 1 "Not handling restraint 79, item 1, resonance(s) ' .13.H1' (nmrStar names) not linked" rr_6mk8 1
15 2 80 1 "Not handling restraint 80, item 1, resonance(s) ' .13.H1' (nmrStar names) not linked" rr_6mk8 1
16 2 80 1 "Not handling restraint 80, item 1, resonance(s) ' .13.H1' (nmrStar names) not linked" rr_6mk8 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_6mk8
_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_6mk8 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 GLY C C . . 1 1 2 2 LEU N N . . 1 1 2 2 LEU CA C . . 1 1 2 2 LEU C C . -69.0 -49.0 . . . A . 1 GLY C . . A . 2 LEU N . . A . 2 LEU CA . . A . 2 LEU C . . . 1 . C . . . . . 2 . N . . . . . 2 . CA . . . . . 2 . C . . rr_6mk8 1
2 . . 1 1 2 2 LEU N N . . 1 1 2 2 LEU CA C . . 1 1 2 2 LEU C C . . 1 1 3 3 SER N N . -54.0 -14.0 . . . A . 2 LEU N . . A . 2 LEU CA . . A . 2 LEU C . . A . 3 SER N . . . 2 . N . . . . . 2 . CA . . . . . 2 . C . . . . . 3 . N . . rr_6mk8 1
3 . . 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 . -71.0 -51.0 . . . 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_6mk8 1
4 . . 1 1 3 3 SER N N . . 1 1 3 3 SER CA C . . 1 1 3 3 SER C C . . 1 1 4 4 LEU N N . -50.0 -30.0 . . . A . 3 SER N . . A . 3 SER CA . . A . 3 SER C . . A . 4 LEU N . . . 3 . N . . . . . 3 . CA . . . . . 3 . C . . . . . 4 . N . . rr_6mk8 1
5 . . 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 . -75.0 -55.0 . . . 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_6mk8 1
6 . . 1 1 4 4 LEU N N . . 1 1 4 4 LEU CA C . . 1 1 4 4 LEU C C . . 1 1 5 5 LEU N N . -44.0 -24.0 . . . A . 4 LEU N . . A . 4 LEU CA . . A . 4 LEU C . . A . 5 LEU N . . . 4 . N . . . . . 4 . CA . . . . . 4 . C . . . . . 5 . N . . rr_6mk8 1
7 . . 1 1 4 4 LEU C C . . 1 1 5 5 LEU N N . . 1 1 5 5 LEU CA C . . 1 1 5 5 LEU C C . -74.0 -54.0 . . . A . 4 LEU C . . A . 5 LEU N . . A . 5 LEU CA . . A . 5 LEU C . . . 4 . C . . . . . 5 . N . . . . . 5 . CA . . . . . 5 . C . . rr_6mk8 1
8 . . 1 1 5 5 LEU N N . . 1 1 5 5 LEU CA C . . 1 1 5 5 LEU C C . . 1 1 6 6 LEU N N . -51.0 -31.0 . . . A . 5 LEU N . . A . 5 LEU CA . . A . 5 LEU C . . A . 6 LEU N . . . 5 . N . . . . . 5 . CA . . . . . 5 . C . . . . . 6 . N . . rr_6mk8 1
9 . . 1 1 5 5 LEU C C . . 1 1 6 6 LEU N N . . 1 1 6 6 LEU CA C . . 1 1 6 6 LEU C C . -73.0 -53.0 . . . A . 5 LEU C . . A . 6 LEU N . . A . 6 LEU CA . . A . 6 LEU C . . . 5 . C . . . . . 6 . N . . . . . 6 . CA . . . . . 6 . C . . rr_6mk8 1
10 . . 1 1 6 6 LEU N N . . 1 1 6 6 LEU CA C . . 1 1 6 6 LEU C C . . 1 1 7 7 SER N N . -49.0 -29.0 . . . A . 6 LEU N . . A . 6 LEU CA . . A . 6 LEU C . . A . 7 SER N . . . 6 . N . . . . . 6 . CA . . . . . 6 . C . . . . . 7 . N . . rr_6mk8 1
11 . . 1 1 6 6 LEU C C . . 1 1 7 7 SER N N . . 1 1 7 7 SER CA C . . 1 1 7 7 SER C C . -72.0 -52.0 . . . A . 6 LEU C . . A . 7 SER N . . A . 7 SER CA . . A . 7 SER C . . . 6 . C . . . . . 7 . N . . . . . 7 . CA . . . . . 7 . C . . rr_6mk8 1
12 . . 1 1 7 7 SER N N . . 1 1 7 7 SER CA C . . 1 1 7 7 SER C C . . 1 1 8 8 LEU N N . -54.0 -34.0 . . . A . 7 SER N . . A . 7 SER CA . . A . 7 SER C . . A . 8 LEU N . . . 7 . N . . . . . 7 . CA . . . . . 7 . C . . . . . 8 . N . . rr_6mk8 1
13 . . 1 1 7 7 SER C C . . 1 1 8 8 LEU N N . . 1 1 8 8 LEU CA C . . 1 1 8 8 LEU C C . -74.0 -54.0 . . . A . 7 SER C . . A . 8 LEU N . . A . 8 LEU CA . . A . 8 LEU C . . . 7 . C . . . . . 8 . N . . . . . 8 . CA . . . . . 8 . C . . rr_6mk8 1
14 . . 1 1 8 8 LEU N N . . 1 1 8 8 LEU CA C . . 1 1 8 8 LEU C C . . 1 1 9 9 GLY N N . -49.0 -29.0 . . . A . 8 LEU N . . A . 8 LEU CA . . A . 8 LEU C . . A . 9 GLY N . . . 8 . N . . . . . 8 . CA . . . . . 8 . C . . . . . 9 . N . . rr_6mk8 1
15 . . 1 1 8 8 LEU C C . . 1 1 9 9 GLY N N . . 1 1 9 9 GLY CA C . . 1 1 9 9 GLY C C . -73.0 -53.0 . . . A . 8 LEU C . . A . 9 GLY N . . A . 9 GLY CA . . A . 9 GLY C . . . 8 . C . . . . . 9 . N . . . . . 9 . CA . . . . . 9 . C . . rr_6mk8 1
16 . . 1 1 9 9 GLY N N . . 1 1 9 9 GLY CA C . . 1 1 9 9 GLY C C . . 1 1 10 10 LEU N N . -50.0 -30.0 . . . A . 9 GLY N . . A . 9 GLY CA . . A . 9 GLY C . . A . 10 LEU N . . . 9 . N . . . . . 9 . CA . . . . . 9 . C . . . . . 10 . N . . rr_6mk8 1
17 . . 1 1 9 9 GLY C C . . 1 1 10 10 LEU N N . . 1 1 10 10 LEU CA C . . 1 1 10 10 LEU C C . -76.0 -56.0 . . . A . 9 GLY C . . A . 10 LEU N . . A . 10 LEU CA . . A . 10 LEU C . . . 9 . C . . . . . 10 . N . . . . . 10 . CA . . . . . 10 . C . . rr_6mk8 1
18 . . 1 1 10 10 LEU N N . . 1 1 10 10 LEU CA C . . 1 1 10 10 LEU C C . . 1 1 11 11 LYS N N . -60.0 -20.0 . . . A . 10 LEU N . . A . 10 LEU CA . . A . 10 LEU C . . A . 11 LYS N . . . 10 . N . . . . . 10 . CA . . . . . 10 . C . . . . . 11 . N . . rr_6mk8 1
19 . . 1 1 10 10 LEU C C . . 1 1 11 11 LYS N N . . 1 1 11 11 LYS CA C . . 1 1 11 11 LYS C C . -72.0 -52.0 . . . A . 10 LEU C . . A . 11 LYS N . . A . 11 LYS CA . . A . 11 LYS C . . . 10 . C . . . . . 11 . N . . . . . 11 . CA . . . . . 11 . C . . rr_6mk8 1
20 . . 1 1 11 11 LYS N N . . 1 1 11 11 LYS CA C . . 1 1 11 11 LYS C C . . 1 1 12 12 LEU N N . -49.0 -29.0 . . . A . 11 LYS N . . A . 11 LYS CA . . A . 11 LYS C . . A . 12 LEU N . . . 11 . N . . . . . 11 . CA . . . . . 11 . C . . . . . 12 . N . . rr_6mk8 1
21 . . 1 1 11 11 LYS C C . . 1 1 12 12 LEU N N . . 1 1 12 12 LEU CA C . . 1 1 12 12 LEU C C . -81.0 -61.0 . . . A . 11 LYS C . . A . 12 LEU N . . A . 12 LEU CA . . A . 12 LEU C . . . 11 . C . . . . . 12 . N . . . . . 12 . CA . . . . . 12 . C . . rr_6mk8 1
22 . . 1 1 12 12 LEU N N . . 1 1 12 12 LEU CA C . . 1 1 12 12 LEU C C . . 1 1 13 13 LEU N N . -56.0 -16.0 . . . A . 12 LEU N . . A . 12 LEU CA . . A . 12 LEU C . . A . 13 LEU N . . . 12 . N . . . . . 12 . CA . . . . . 12 . C . . . . . 13 . N . . rr_6mk8 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
;THIS PART CONTAINS THE ANGLE RESTRAINTS DERIVED FROM A SET OF HETERONUCLEAR CHEMICAL CHIFTS OF DFT503 BOUND TO SDS MICEES
@ END_XPLR_NOE_FILE
! phi and phi angles for G503sds #Gus Oct 27 2014
! 2
;
1 1 4 5 rr_6mk8 1
2 "! 3" 8 72 10 5 rr_6mk8 1
3 "! 4" 14 72 15 5 rr_6mk8 1
4 "! 5" 19 72 21 5 rr_6mk8 1
5 "! 6" 25 72 27 11 rr_6mk8 1
6 "! 7" 31 72 32 5 rr_6mk8 1
7 "! 8" 36 72 37 5 rr_6mk8 1
8 "! 9" 41 72 42 5 rr_6mk8 1
9 "! 10" 46 72 47 6 rr_6mk8 1
10 "! 11" 51 74 52 6 rr_6mk8 1
11 "! 12" 56 74 57 6 rr_6mk8 1
12
;END
THE END of DFT503 structural restraints
;
61 74 65 41 rr_6mk8 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_6mk8
_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 ANTIMICROBIAL PROTEIN 25-SEP-18 6MK8 *TITLE NMR STRUCTURE OF DATABASE DESIGNED AND IMPROVED ANTI-STAPHYLOCOCCAL *TITLE 2 PEPTIDE DFT503 BOUND TO MICELLES *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: ANTI-STAPHYLOCOCCAL PEPTIDE DFT503; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; *SOURCE 4 ORGANISM_TAXID: 32630; *SOURCE 5 OTHER_DETAILS: CHEMICAL SYNTHESIS *KEYWDS ANTIMICROBIAL PEPTIDES, AMPHIPATHIC HELIX, LEUCINE-RICH PEPTIDES, *KEYWDS 2 DATABASE DESIGNED PEPTIDES, ANTIMICROBIAL PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 5 *AUTHOR G.WANG *REVDAT 1 19-JUN-19 6MK8 0"
save_
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