NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
650038 |
6nm3   |
30558 | cing | 3-converted-DOCR | STAR | entry | full | 134 |
data_DOCR_restraints_with_modified_coordinates_PDB_code_6nm3
# This DOCR archive file contains, for PDB entry <6nm3>:
#
# - 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_6nm3
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 6nm3"
_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 6nm3"
_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 6nm3 "Master copy" rr_6nm3
stop_
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_6nm3
_Assembly.ID 1
_Assembly.Name 6nm3
_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 1275.5839
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 "WW295 peptide" 1 $WW295_peptide A . no . . . . . . rr_6nm3 1
stop_
save_
save_WW295_peptide
_Entity.Sf_category entity
_Entity.Sf_framecode WW295_peptide
_Entity.Entry_ID rr_6nm3
_Entity.ID 1
_Entity.Name WW295_peptide
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code RKIWWWWLX
_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 9
_Entity.Paramagnetic no
_Entity.Thiol_state "not present"
_Entity.Parent_entity_ID 1
_Entity.Formula_weight 1275.5839
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 . ARG . rr_6nm3 1
2 . LYS . rr_6nm3 1
3 . ILE . rr_6nm3 1
4 . TRP . rr_6nm3 1
5 . TRP . rr_6nm3 1
6 . TRP . rr_6nm3 1
7 . TRP . rr_6nm3 1
8 . LEU . rr_6nm3 1
9 . NH2 . rr_6nm3 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
. ARG 1 1 rr_6nm3 1
. LYS 2 2 rr_6nm3 1
. ILE 3 3 rr_6nm3 1
. TRP 4 4 rr_6nm3 1
. TRP 5 5 rr_6nm3 1
. TRP 6 6 rr_6nm3 1
. TRP 7 7 rr_6nm3 1
. LEU 8 8 rr_6nm3 1
. NH2 9 9 rr_6nm3 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_6nm3
_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_6nm3
_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_6nm3
_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_6nm3 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_6nm3 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 ARG C C -6.015 0.545 -0.161 . . . 1.0 . . . . . . . . . . . . A . 1 ARG C . . . . . . . . . rr_6nm3 1
. 1 . 2 . 1 1 1 ARG CA C -6.211 1.809 0.672 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CA . . . . . . . . . rr_6nm3 1
. 1 . 3 . 1 1 1 ARG CB C -4.868 2.289 1.230 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CB . . . . . . . . . rr_6nm3 1
. 1 . 4 . 1 1 1 ARG CD C -5.445 4.723 0.971 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CD . . . . . . . . . rr_6nm3 1
. 1 . 5 . 1 1 1 ARG CG C -5.061 3.618 1.969 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CG . . . . . . . . . rr_6nm3 1
. 1 . 6 . 1 1 1 ARG CZ C -4.514 6.409 2.483 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CZ . . . . . . . . . rr_6nm3 1
. 1 . 7 . 1 1 1 ARG H1 H -6.787 0.701 2.337 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H1 . . . . . . . . . rr_6nm3 1
. 1 . 8 . 1 1 1 ARG H2 H -8.086 1.303 1.423 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H2 . . . . . . . . . rr_6nm3 1
. 1 . 9 . 1 1 1 ARG H3 H -7.195 2.344 2.428 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H3 . . . . . . . . . rr_6nm3 1
. 1 . 10 . 1 1 1 ARG HA H -6.638 2.582 0.051 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HA . . . . . . . . . rr_6nm3 1
. 1 . 11 . 1 1 1 ARG HB2 H -4.479 1.549 1.914 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB2 . . . . . . . . . rr_6nm3 1
. 1 . 12 . 1 1 1 ARG HB3 H -4.172 2.429 0.420 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB3 . . . . . . . . . rr_6nm3 1
. 1 . 13 . 1 1 1 ARG HD2 H -5.209 4.403 -0.030 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD2 . . . . . . . . . rr_6nm3 1
. 1 . 14 . 1 1 1 ARG HD3 H -6.510 4.912 1.039 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD3 . . . . . . . . . rr_6nm3 1
. 1 . 15 . 1 1 1 ARG HE H -4.306 6.446 0.495 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HE . . . . . . . . . rr_6nm3 1
. 1 . 16 . 1 1 1 ARG HG2 H -5.844 3.505 2.705 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG2 . . . . . . . . . rr_6nm3 1
. 1 . 17 . 1 1 1 ARG HG3 H -4.139 3.886 2.463 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG3 . . . . . . . . . rr_6nm3 1
. 1 . 18 . 1 1 1 ARG HH11 H -3.390 7.960 1.900 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH11 . . . . . . . . . rr_6nm3 1
. 1 . 19 . 1 1 1 ARG HH12 H -3.657 7.828 3.606 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH12 . . . . . . . . . rr_6nm3 1
. 1 . 20 . 1 1 1 ARG HH21 H -5.629 4.993 3.353 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH21 . . . . . . . . . rr_6nm3 1
. 1 . 21 . 1 1 1 ARG HH22 H -4.918 6.150 4.426 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH22 . . . . . . . . . rr_6nm3 1
. 1 . 22 . 1 1 1 ARG N N -7.140 1.517 1.800 . . . 1.0 . . . . . . . . . . . . A . 1 ARG N . . . . . . . . . rr_6nm3 1
. 1 . 23 . 1 1 1 ARG NE N -4.699 5.953 1.245 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NE . . . . . . . . . rr_6nm3 1
. 1 . 24 . 1 1 1 ARG NH1 N -3.798 7.483 2.678 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH1 . . . . . . . . . rr_6nm3 1
. 1 . 25 . 1 1 1 ARG NH2 N -5.064 5.803 3.499 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH2 . . . . . . . . . rr_6nm3 1
. 1 . 26 . 1 1 1 ARG O O -6.921 0.119 -0.877 . . . 1.0 . . . . . . . . . . . . A . 1 ARG O . . . . . . . . . rr_6nm3 1
. 1 . 27 . 1 1 2 LYS C C -3.227 -1.899 -0.378 . . . 1.0 . . . . . . . . . . . . A . 2 LYS C . . . . . . . . . rr_6nm3 1
. 1 . 28 . 1 1 2 LYS CA C -4.540 -1.269 -0.822 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CA . . . . . . . . . rr_6nm3 1
. 1 . 29 . 1 1 2 LYS CB C -4.493 -0.950 -2.317 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CB . . . . . . . . . rr_6nm3 1
. 1 . 30 . 1 1 2 LYS CD C -3.600 -2.153 -4.342 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CD . . . . . . . . . rr_6nm3 1
. 1 . 31 . 1 1 2 LYS CE C -4.353 -1.505 -5.506 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CE . . . . . . . . . rr_6nm3 1
. 1 . 32 . 1 1 2 LYS CG C -4.523 -2.259 -3.122 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CG . . . . . . . . . rr_6nm3 1
. 1 . 33 . 1 1 2 LYS H H -4.142 0.327 0.520 . . . 1.0 . . . . . . . . . . . . A . 2 LYS H . . . . . . . . . rr_6nm3 1
. 1 . 34 . 1 1 2 LYS HA H -5.321 -1.984 -0.651 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HA . . . . . . . . . rr_6nm3 1
. 1 . 35 . 1 1 2 LYS HB2 H -5.351 -0.345 -2.579 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB2 . . . . . . . . . rr_6nm3 1
. 1 . 36 . 1 1 2 LYS HB3 H -3.591 -0.404 -2.538 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB3 . . . . . . . . . rr_6nm3 1
. 1 . 37 . 1 1 2 LYS HD2 H -2.739 -1.554 -4.091 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD2 . . . . . . . . . rr_6nm3 1
. 1 . 38 . 1 1 2 LYS HD3 H -3.275 -3.141 -4.631 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD3 . . . . . . . . . rr_6nm3 1
. 1 . 39 . 1 1 2 LYS HE2 H -4.817 -0.590 -5.169 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE2 . . . . . . . . . rr_6nm3 1
. 1 . 40 . 1 1 2 LYS HE3 H -3.660 -1.285 -6.305 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE3 . . . . . . . . . rr_6nm3 1
. 1 . 41 . 1 1 2 LYS HG2 H -4.193 -3.075 -2.495 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG2 . . . . . . . . . rr_6nm3 1
. 1 . 42 . 1 1 2 LYS HG3 H -5.532 -2.452 -3.454 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG3 . . . . . . . . . rr_6nm3 1
. 1 . 43 . 1 1 2 LYS HZ1 H -5.420 -2.423 -7.041 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ1 . . . . . . . . . rr_6nm3 1
. 1 . 44 . 1 1 2 LYS HZ2 H -6.330 -2.148 -5.632 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ2 . . . . . . . . . rr_6nm3 1
. 1 . 45 . 1 1 2 LYS HZ3 H -5.188 -3.405 -5.678 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ3 . . . . . . . . . rr_6nm3 1
. 1 . 46 . 1 1 2 LYS N N -4.830 -0.053 -0.066 . . . 1.0 . . . . . . . . . . . . A . 2 LYS N . . . . . . . . . rr_6nm3 1
. 1 . 47 . 1 1 2 LYS NZ N -5.402 -2.441 -6.002 . . . 1.0 . . . . . . . . . . . . A . 2 LYS NZ . . . . . . . . . rr_6nm3 1
. 1 . 48 . 1 1 2 LYS O O -3.217 -2.789 0.472 . . . 1.0 . . . . . . . . . . . . A . 2 LYS O . . . . . . . . . rr_6nm3 1
. 1 . 49 . 1 1 3 ILE C C 0.095 -0.849 -0.118 . . . 1.0 . . . . . . . . . . . . A . 3 ILE C . . . . . . . . . rr_6nm3 1
. 1 . 50 . 1 1 3 ILE CA C -0.806 -1.974 -0.631 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CA . . . . . . . . . rr_6nm3 1
. 1 . 51 . 1 1 3 ILE CB C -0.206 -2.609 -1.877 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CB . . . . . . . . . rr_6nm3 1
. 1 . 52 . 1 1 3 ILE CD1 C 0.018 -2.252 -4.351 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CD1 . . . . . . . . . rr_6nm3 1
. 1 . 53 . 1 1 3 ILE CG1 C -0.116 -1.558 -2.995 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG1 . . . . . . . . . rr_6nm3 1
. 1 . 54 . 1 1 3 ILE CG2 C -1.097 -3.771 -2.325 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG2 . . . . . . . . . rr_6nm3 1
. 1 . 55 . 1 1 3 ILE H H -2.202 -0.743 -1.641 . . . 1.0 . . . . . . . . . . . . A . 3 ILE H . . . . . . . . . rr_6nm3 1
. 1 . 56 . 1 1 3 ILE HA H -0.901 -2.732 0.130 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HA . . . . . . . . . rr_6nm3 1
. 1 . 57 . 1 1 3 ILE HB H 0.769 -2.980 -1.645 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HB . . . . . . . . . rr_6nm3 1
. 1 . 58 . 1 1 3 ILE HD11 H 0.293 -1.526 -5.100 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD11 . . . . . . . . . rr_6nm3 1
. 1 . 59 . 1 1 3 ILE HD12 H -0.923 -2.708 -4.620 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD12 . . . . . . . . . rr_6nm3 1
. 1 . 60 . 1 1 3 ILE HD13 H 0.781 -3.013 -4.290 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD13 . . . . . . . . . rr_6nm3 1
. 1 . 61 . 1 1 3 ILE HG12 H -1.004 -0.947 -2.988 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG12 . . . . . . . . . rr_6nm3 1
. 1 . 62 . 1 1 3 ILE HG13 H 0.745 -0.932 -2.832 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG13 . . . . . . . . . rr_6nm3 1
. 1 . 63 . 1 1 3 ILE HG21 H -0.555 -4.396 -3.019 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG21 . . . . . . . . . rr_6nm3 1
. 1 . 64 . 1 1 3 ILE HG22 H -1.976 -3.382 -2.806 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG22 . . . . . . . . . rr_6nm3 1
. 1 . 65 . 1 1 3 ILE HG23 H -1.389 -4.357 -1.465 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG23 . . . . . . . . . rr_6nm3 1
. 1 . 66 . 1 1 3 ILE N N -2.127 -1.446 -0.964 . . . 1.0 . . . . . . . . . . . . A . 3 ILE N . . . . . . . . . rr_6nm3 1
. 1 . 67 . 1 1 3 ILE O O 1.290 -1.027 0.095 . . . 1.0 . . . . . . . . . . . . A . 3 ILE O . . . . . . . . . rr_6nm3 1
. 1 . 68 . 1 1 4 TRP C C 0.636 1.450 1.957 . . . 1.0 . . . . . . . . . . . . A . 4 TRP C . . . . . . . . . rr_6nm3 1
. 1 . 69 . 1 1 4 TRP CA C 0.156 1.519 0.521 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CA . . . . . . . . . rr_6nm3 1
. 1 . 70 . 1 1 4 TRP CB C -0.814 2.664 0.347 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CB . . . . . . . . . rr_6nm3 1
. 1 . 71 . 1 1 4 TRP CD1 C -2.261 1.823 -1.523 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD1 . . . . . . . . . rr_6nm3 1
. 1 . 72 . 1 1 4 TRP CD2 C -0.620 3.183 -2.221 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD2 . . . . . . . . . rr_6nm3 1
. 1 . 73 . 1 1 4 TRP CE2 C -1.320 2.774 -3.374 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE2 . . . . . . . . . rr_6nm3 1
. 1 . 74 . 1 1 4 TRP CE3 C 0.472 4.051 -2.374 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE3 . . . . . . . . . rr_6nm3 1
. 1 . 75 . 1 1 4 TRP CG C -1.243 2.577 -1.065 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CG . . . . . . . . . rr_6nm3 1
. 1 . 76 . 1 1 4 TRP CH2 C 0.147 4.071 -4.781 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CH2 . . . . . . . . . rr_6nm3 1
. 1 . 77 . 1 1 4 TRP CZ2 C -0.945 3.208 -4.642 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ2 . . . . . . . . . rr_6nm3 1
. 1 . 78 . 1 1 4 TRP CZ3 C 0.854 4.491 -3.645 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ3 . . . . . . . . . rr_6nm3 1
. 1 . 79 . 1 1 4 TRP H H -1.474 0.355 -0.142 . . . 1.0 . . . . . . . . . . . . A . 4 TRP H . . . . . . . . . rr_6nm3 1
. 1 . 80 . 1 1 4 TRP HA H 1.003 1.698 -0.117 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HA . . . . . . . . . rr_6nm3 1
. 1 . 81 . 1 1 4 TRP HB2 H -1.660 2.538 1.019 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB2 . . . . . . . . . rr_6nm3 1
. 1 . 82 . 1 1 4 TRP HB3 H -0.323 3.607 0.529 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB3 . . . . . . . . . rr_6nm3 1
. 1 . 83 . 1 1 4 TRP HD1 H -2.924 1.225 -0.918 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HD1 . . . . . . . . . rr_6nm3 1
. 1 . 84 . 1 1 4 TRP HE1 H -2.958 1.486 -3.468 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE1 . . . . . . . . . rr_6nm3 1
. 1 . 85 . 1 1 4 TRP HE3 H 1.022 4.380 -1.504 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE3 . . . . . . . . . rr_6nm3 1
. 1 . 86 . 1 1 4 TRP HH2 H 0.445 4.414 -5.761 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HH2 . . . . . . . . . rr_6nm3 1
. 1 . 87 . 1 1 4 TRP HZ2 H -1.489 2.875 -5.509 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ2 . . . . . . . . . rr_6nm3 1
. 1 . 88 . 1 1 4 TRP HZ3 H 1.698 5.154 -3.746 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ3 . . . . . . . . . rr_6nm3 1
. 1 . 89 . 1 1 4 TRP N N -0.516 0.304 0.061 . . . 1.0 . . . . . . . . . . . . A . 4 TRP N . . . . . . . . . rr_6nm3 1
. 1 . 90 . 1 1 4 TRP NE1 N -2.311 1.935 -2.894 . . . 1.0 . . . . . . . . . . . . A . 4 TRP NE1 . . . . . . . . . rr_6nm3 1
. 1 . 91 . 1 1 4 TRP O O 0.579 2.448 2.676 . . . 1.0 . . . . . . . . . . . . A . 4 TRP O . . . . . . . . . rr_6nm3 1
. 1 . 92 . 1 1 5 TRP C C 2.887 -0.509 3.910 . . . 1.0 . . . . . . . . . . . . A . 5 TRP C . . . . . . . . . rr_6nm3 1
. 1 . 93 . 1 1 5 TRP CA C 1.507 0.137 3.772 . . . 1.0 . . . . . . . . . . . . A . 5 TRP CA . . . . . . . . . rr_6nm3 1
. 1 . 94 . 1 1 5 TRP CB C 0.499 -0.743 4.497 . . . 1.0 . . . . . . . . . . . . A . 5 TRP CB . . . . . . . . . rr_6nm3 1
. 1 . 95 . 1 1 5 TRP CD1 C -0.623 -1.621 2.430 . . . 1.0 . . . . . . . . . . . . A . 5 TRP CD1 . . . . . . . . . rr_6nm3 1
. 1 . 96 . 1 1 5 TRP CD2 C -2.083 -0.652 3.829 . . . 1.0 . . . . . . . . . . . . A . 5 TRP CD2 . . . . . . . . . rr_6nm3 1
. 1 . 97 . 1 1 5 TRP CE2 C -2.825 -1.140 2.731 . . . 1.0 . . . . . . . . . . . . A . 5 TRP CE2 . . . . . . . . . rr_6nm3 1
. 1 . 98 . 1 1 5 TRP CE3 C -2.775 0.012 4.851 . . . 1.0 . . . . . . . . . . . . A . 5 TRP CE3 . . . . . . . . . rr_6nm3 1
. 1 . 99 . 1 1 5 TRP CG C -0.682 -0.997 3.621 . . . 1.0 . . . . . . . . . . . . A . 5 TRP CG . . . . . . . . . rr_6nm3 1
. 1 . 100 . 1 1 5 TRP CH2 C -4.882 -0.316 3.672 . . . 1.0 . . . . . . . . . . . . A . 5 TRP CH2 . . . . . . . . . rr_6nm3 1
. 1 . 101 . 1 1 5 TRP CZ2 C -4.204 -0.979 2.646 . . . 1.0 . . . . . . . . . . . . A . 5 TRP CZ2 . . . . . . . . . rr_6nm3 1
. 1 . 102 . 1 1 5 TRP CZ3 C -4.168 0.183 4.772 . . . 1.0 . . . . . . . . . . . . A . 5 TRP CZ3 . . . . . . . . . rr_6nm3 1
. 1 . 103 . 1 1 5 TRP H H 1.073 -0.492 1.794 . . . 1.0 . . . . . . . . . . . . A . 5 TRP H . . . . . . . . . rr_6nm3 1
. 1 . 104 . 1 1 5 TRP HA H 1.522 1.101 4.251 . . . 1.0 . . . . . . . . . . . . A . 5 TRP HA . . . . . . . . . rr_6nm3 1
. 1 . 105 . 1 1 5 TRP HB2 H 0.963 -1.688 4.724 . . . 1.0 . . . . . . . . . . . . A . 5 TRP HB2 . . . . . . . . . rr_6nm3 1
. 1 . 106 . 1 1 5 TRP HB3 H 0.184 -0.269 5.407 . . . 1.0 . . . . . . . . . . . . A . 5 TRP HB3 . . . . . . . . . rr_6nm3 1
. 1 . 107 . 1 1 5 TRP HD1 H 0.268 -1.987 1.955 . . . 1.0 . . . . . . . . . . . . A . 5 TRP HD1 . . . . . . . . . rr_6nm3 1
. 1 . 108 . 1 1 5 TRP HE1 H -2.106 -2.157 1.072 . . . 1.0 . . . . . . . . . . . . A . 5 TRP HE1 . . . . . . . . . rr_6nm3 1
. 1 . 109 . 1 1 5 TRP HE3 H -2.233 0.407 5.692 . . . 1.0 . . . . . . . . . . . . A . 5 TRP HE3 . . . . . . . . . rr_6nm3 1
. 1 . 110 . 1 1 5 TRP HH2 H -5.952 -0.183 3.617 . . . 1.0 . . . . . . . . . . . . A . 5 TRP HH2 . . . . . . . . . rr_6nm3 1
. 1 . 111 . 1 1 5 TRP HZ2 H -4.742 -1.369 1.794 . . . 1.0 . . . . . . . . . . . . A . 5 TRP HZ2 . . . . . . . . . rr_6nm3 1
. 1 . 112 . 1 1 5 TRP HZ3 H -4.693 0.696 5.565 . . . 1.0 . . . . . . . . . . . . A . 5 TRP HZ3 . . . . . . . . . rr_6nm3 1
. 1 . 113 . 1 1 5 TRP N N 1.070 0.283 2.393 . . . 1.0 . . . . . . . . . . . . A . 5 TRP N . . . . . . . . . rr_6nm3 1
. 1 . 114 . 1 1 5 TRP NE1 N -1.886 -1.724 1.915 . . . 1.0 . . . . . . . . . . . . A . 5 TRP NE1 . . . . . . . . . rr_6nm3 1
. 1 . 115 . 1 1 5 TRP O O 3.791 0.052 4.529 . . . 1.0 . . . . . . . . . . . . A . 5 TRP O . . . . . . . . . rr_6nm3 1
. 1 . 116 . 1 1 6 TRP C C 5.363 -2.183 2.580 . . . 1.0 . . . . . . . . . . . . A . 6 TRP C . . . . . . . . . rr_6nm3 1
. 1 . 117 . 1 1 6 TRP CA C 4.227 -2.512 3.570 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CA . . . . . . . . . rr_6nm3 1
. 1 . 118 . 1 1 6 TRP CB C 3.872 -4.000 3.471 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CB . . . . . . . . . rr_6nm3 1
. 1 . 119 . 1 1 6 TRP CD1 C 1.541 -3.959 2.541 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD1 . . . . . . . . . rr_6nm3 1
. 1 . 120 . 1 1 6 TRP CD2 C 3.037 -4.780 1.086 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD2 . . . . . . . . . rr_6nm3 1
. 1 . 121 . 1 1 6 TRP CE2 C 1.785 -4.817 0.438 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE2 . . . . . . . . . rr_6nm3 1
. 1 . 122 . 1 1 6 TRP CE3 C 4.159 -5.246 0.387 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE3 . . . . . . . . . rr_6nm3 1
. 1 . 123 . 1 1 6 TRP CG C 2.854 -4.222 2.415 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CG . . . . . . . . . rr_6nm3 1
. 1 . 124 . 1 1 6 TRP CH2 C 2.774 -5.774 -1.543 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CH2 . . . . . . . . . rr_6nm3 1
. 1 . 125 . 1 1 6 TRP CZ2 C 1.649 -5.306 -0.861 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ2 . . . . . . . . . rr_6nm3 1
. 1 . 126 . 1 1 6 TRP CZ3 C 4.029 -5.741 -0.922 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ3 . . . . . . . . . rr_6nm3 1
. 1 . 127 . 1 1 6 TRP H H 2.211 -2.142 3.003 . . . 1.0 . . . . . . . . . . . . A . 6 TRP H . . . . . . . . . rr_6nm3 1
. 1 . 128 . 1 1 6 TRP HA H 4.601 -2.338 4.565 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HA . . . . . . . . . rr_6nm3 1
. 1 . 129 . 1 1 6 TRP HB2 H 4.745 -4.567 3.224 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HB2 . . . . . . . . . rr_6nm3 1
. 1 . 130 . 1 1 6 TRP HB3 H 3.476 -4.338 4.417 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HB3 . . . . . . . . . rr_6nm3 1
. 1 . 131 . 1 1 6 TRP HD1 H 1.067 -3.535 3.412 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HD1 . . . . . . . . . rr_6nm3 1
. 1 . 132 . 1 1 6 TRP HE1 H -0.041 -4.180 1.190 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE1 . . . . . . . . . rr_6nm3 1
. 1 . 133 . 1 1 6 TRP HE3 H 5.131 -5.211 0.854 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE3 . . . . . . . . . rr_6nm3 1
. 1 . 134 . 1 1 6 TRP HH2 H 2.678 -6.155 -2.549 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HH2 . . . . . . . . . rr_6nm3 1
. 1 . 135 . 1 1 6 TRP HZ2 H 0.681 -5.331 -1.333 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ2 . . . . . . . . . rr_6nm3 1
. 1 . 136 . 1 1 6 TRP HZ3 H 4.899 -6.103 -1.449 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ3 . . . . . . . . . rr_6nm3 1
. 1 . 137 . 1 1 6 TRP N N 2.997 -1.730 3.414 . . . 1.0 . . . . . . . . . . . . A . 6 TRP N . . . . . . . . . rr_6nm3 1
. 1 . 138 . 1 1 6 TRP NE1 N 0.908 -4.291 1.363 . . . 1.0 . . . . . . . . . . . . A . 6 TRP NE1 . . . . . . . . . rr_6nm3 1
. 1 . 139 . 1 1 6 TRP O O 6.408 -1.676 2.988 . . . 1.0 . . . . . . . . . . . . A . 6 TRP O . . . . . . . . . rr_6nm3 1
. 1 . 140 . 1 1 7 TRP C C 6.775 -0.869 0.267 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . rr_6nm3 1
. 1 . 141 . 1 1 7 TRP CA C 6.255 -2.308 0.307 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . rr_6nm3 1
. 1 . 142 . 1 1 7 TRP CB C 5.749 -2.674 -1.085 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . rr_6nm3 1
. 1 . 143 . 1 1 7 TRP CD1 C 3.345 -2.005 -1.106 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . rr_6nm3 1
. 1 . 144 . 1 1 7 TRP CD2 C 4.670 -0.507 -2.110 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . rr_6nm3 1
. 1 . 145 . 1 1 7 TRP CE2 C 3.360 0.004 -2.185 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . rr_6nm3 1
. 1 . 146 . 1 1 7 TRP CE3 C 5.712 0.244 -2.670 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . rr_6nm3 1
. 1 . 147 . 1 1 7 TRP CG C 4.627 -1.779 -1.419 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . rr_6nm3 1
. 1 . 148 . 1 1 7 TRP CH2 C 4.142 1.965 -3.352 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . rr_6nm3 1
. 1 . 149 . 1 1 7 TRP CZ2 C 3.090 1.228 -2.799 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . rr_6nm3 1
. 1 . 150 . 1 1 7 TRP CZ3 C 5.450 1.474 -3.286 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . rr_6nm3 1
. 1 . 151 . 1 1 7 TRP H H 4.360 -2.966 1.034 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . rr_6nm3 1
. 1 . 152 . 1 1 7 TRP HA H 7.080 -2.961 0.545 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . rr_6nm3 1
. 1 . 153 . 1 1 7 TRP HB2 H 6.534 -2.536 -1.805 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . rr_6nm3 1
. 1 . 154 . 1 1 7 TRP HB3 H 5.418 -3.696 -1.101 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . rr_6nm3 1
. 1 . 155 . 1 1 7 TRP HD1 H 2.970 -2.866 -0.581 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . rr_6nm3 1
. 1 . 156 . 1 1 7 TRP HE1 H 1.630 -0.865 -1.424 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . rr_6nm3 1
. 1 . 157 . 1 1 7 TRP HE3 H 6.721 -0.124 -2.614 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . rr_6nm3 1
. 1 . 158 . 1 1 7 TRP HH2 H 3.950 2.914 -3.820 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . rr_6nm3 1
. 1 . 159 . 1 1 7 TRP HZ2 H 2.078 1.602 -2.847 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . rr_6nm3 1
. 1 . 160 . 1 1 7 TRP HZ3 H 6.261 2.044 -3.715 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . rr_6nm3 1
. 1 . 161 . 1 1 7 TRP N N 5.191 -2.522 1.305 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . rr_6nm3 1
. 1 . 162 . 1 1 7 TRP NE1 N 2.591 -0.946 -1.545 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . rr_6nm3 1
. 1 . 163 . 1 1 7 TRP O O 7.606 -0.542 -0.579 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . rr_6nm3 1
. 1 . 164 . 1 1 8 LEU C C 8.071 1.467 1.980 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . rr_6nm3 1
. 1 . 165 . 1 1 8 LEU CA C 6.787 1.372 1.171 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . rr_6nm3 1
. 1 . 166 . 1 1 8 LEU CB C 5.732 2.304 1.774 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . rr_6nm3 1
. 1 . 167 . 1 1 8 LEU CD1 C 3.284 2.688 2.109 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . rr_6nm3 1
. 1 . 168 . 1 1 8 LEU CD2 C 4.111 1.771 -0.052 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . rr_6nm3 1
. 1 . 169 . 1 1 8 LEU CG C 4.332 1.782 1.455 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . rr_6nm3 1
. 1 . 170 . 1 1 8 LEU H H 5.664 -0.304 1.836 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . rr_6nm3 1
. 1 . 171 . 1 1 8 LEU HA H 6.985 1.682 0.150 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . rr_6nm3 1
. 1 . 172 . 1 1 8 LEU HB2 H 5.861 2.349 2.846 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . rr_6nm3 1
. 1 . 173 . 1 1 8 LEU HB3 H 5.847 3.295 1.358 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . rr_6nm3 1
. 1 . 174 . 1 1 8 LEU HD11 H 2.871 2.189 2.968 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . rr_6nm3 1
. 1 . 175 . 1 1 8 LEU HD12 H 2.496 2.901 1.401 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . rr_6nm3 1
. 1 . 176 . 1 1 8 LEU HD13 H 3.744 3.613 2.417 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . rr_6nm3 1
. 1 . 177 . 1 1 8 LEU HD21 H 4.903 1.224 -0.525 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . rr_6nm3 1
. 1 . 178 . 1 1 8 LEU HD22 H 4.094 2.783 -0.426 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . rr_6nm3 1
. 1 . 179 . 1 1 8 LEU HD23 H 3.168 1.294 -0.261 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . rr_6nm3 1
. 1 . 180 . 1 1 8 LEU HG H 4.232 0.777 1.833 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . rr_6nm3 1
. 1 . 181 . 1 1 8 LEU N N 6.313 -0.010 1.167 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . rr_6nm3 1
. 1 . 182 . 1 1 8 LEU O O 8.895 2.352 1.751 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . rr_6nm3 1
. 1 . 183 . 1 1 9 NH2 HN1 H 7.626 -0.110 3.099 . . . 1.0 . . . . . . . . . . . . A . 9 NH2 HN1 . . . . . . . . . rr_6nm3 1
. 1 . 184 . 1 1 9 NH2 HN2 H 9.104 0.635 3.451 . . . 1.0 . . . . . . . . . . . . A . 9 NH2 HN2 . . . . . . . . . rr_6nm3 1
. 1 . 185 . 1 1 9 NH2 N N 8.287 0.592 2.922 . . . 1.0 . . . . . . . . . . . . A . 9 NH2 N . . . . . . . . . rr_6nm3 1
. 2 . 186 . 1 1 1 ARG C C -5.862 -0.279 -0.326 . . . 1.0 . . . . . . . . . . . . A . 1 ARG C . . . . . . . . . rr_6nm3 1
. 2 . 187 . 1 1 1 ARG CA C -6.164 1.165 -0.725 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CA . . . . . . . . . rr_6nm3 1
. 2 . 188 . 1 1 1 ARG CB C -5.564 1.473 -2.097 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CB . . . . . . . . . rr_6nm3 1
. 2 . 189 . 1 1 1 ARG CD C -5.495 3.227 -3.907 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CD . . . . . . . . . rr_6nm3 1
. 2 . 190 . 1 1 1 ARG CG C -5.735 2.966 -2.409 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CG . . . . . . . . . rr_6nm3 1
. 2 . 191 . 1 1 1 ARG CZ C -7.912 3.325 -4.338 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CZ . . . . . . . . . rr_6nm3 1
. 2 . 192 . 1 1 1 ARG H1 H -5.406 3.015 -0.148 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H1 . . . . . . . . . rr_6nm3 1
. 2 . 193 . 1 1 1 ARG H2 H -4.685 1.693 0.639 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H2 . . . . . . . . . rr_6nm3 1
. 2 . 194 . 1 1 1 ARG H3 H -6.246 2.199 1.079 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H3 . . . . . . . . . rr_6nm3 1
. 2 . 195 . 1 1 1 ARG HA H -7.235 1.307 -0.763 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HA . . . . . . . . . rr_6nm3 1
. 2 . 196 . 1 1 1 ARG HB2 H -4.515 1.224 -2.088 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB2 . . . . . . . . . rr_6nm3 1
. 2 . 197 . 1 1 1 ARG HB3 H -6.067 0.887 -2.850 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB3 . . . . . . . . . rr_6nm3 1
. 2 . 198 . 1 1 1 ARG HD2 H -4.686 3.931 -4.016 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD2 . . . . . . . . . rr_6nm3 1
. 2 . 199 . 1 1 1 ARG HD3 H -5.217 2.300 -4.398 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD3 . . . . . . . . . rr_6nm3 1
. 2 . 200 . 1 1 1 ARG HE H -6.575 4.583 -5.129 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HE . . . . . . . . . rr_6nm3 1
. 2 . 201 . 1 1 1 ARG HG2 H -6.730 3.280 -2.136 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG2 . . . . . . . . . rr_6nm3 1
. 2 . 202 . 1 1 1 ARG HG3 H -5.017 3.529 -1.831 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG3 . . . . . . . . . rr_6nm3 1
. 2 . 203 . 1 1 1 ARG HH11 H -8.801 4.702 -5.487 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH11 . . . . . . . . . rr_6nm3 1
. 2 . 204 . 1 1 1 ARG HH12 H -9.859 3.543 -4.752 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH12 . . . . . . . . . rr_6nm3 1
. 2 . 205 . 1 1 1 ARG HH21 H -7.312 1.825 -3.162 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH21 . . . . . . . . . rr_6nm3 1
. 2 . 206 . 1 1 1 ARG HH22 H -9.017 1.918 -3.441 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH22 . . . . . . . . . rr_6nm3 1
. 2 . 207 . 1 1 1 ARG N N -5.581 2.087 0.288 . . . 1.0 . . . . . . . . . . . . A . 1 ARG N . . . . . . . . . rr_6nm3 1
. 2 . 208 . 1 1 1 ARG NE N -6.685 3.806 -4.542 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NE . . . . . . . . . rr_6nm3 1
. 2 . 209 . 1 1 1 ARG NH1 N -8.937 3.902 -4.903 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH1 . . . . . . . . . rr_6nm3 1
. 2 . 210 . 1 1 1 ARG NH2 N -8.094 2.274 -3.588 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH2 . . . . . . . . . rr_6nm3 1
. 2 . 211 . 1 1 1 ARG O O -6.747 -0.990 0.149 . . . 1.0 . . . . . . . . . . . . A . 1 ARG O . . . . . . . . . rr_6nm3 1
. 2 . 212 . 1 1 2 LYS C C -2.728 -2.304 -0.282 . . . 1.0 . . . . . . . . . . . . A . 2 LYS C . . . . . . . . . rr_6nm3 1
. 2 . 213 . 1 1 2 LYS CA C -4.228 -2.070 -0.145 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CA . . . . . . . . . rr_6nm3 1
. 2 . 214 . 1 1 2 LYS CB C -5.004 -3.089 -0.996 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CB . . . . . . . . . rr_6nm3 1
. 2 . 215 . 1 1 2 LYS CD C -5.168 -1.616 -3.033 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CD . . . . . . . . . rr_6nm3 1
. 2 . 216 . 1 1 2 LYS CE C -5.348 -1.722 -4.549 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CE . . . . . . . . . rr_6nm3 1
. 2 . 217 . 1 1 2 LYS CG C -4.642 -2.943 -2.483 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CG . . . . . . . . . rr_6nm3 1
. 2 . 218 . 1 1 2 LYS H H -3.939 -0.098 -0.884 . . . 1.0 . . . . . . . . . . . . A . 2 LYS H . . . . . . . . . rr_6nm3 1
. 2 . 219 . 1 1 2 LYS HA H -4.480 -2.227 0.882 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HA . . . . . . . . . rr_6nm3 1
. 2 . 220 . 1 1 2 LYS HB2 H -4.755 -4.088 -0.668 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB2 . . . . . . . . . rr_6nm3 1
. 2 . 221 . 1 1 2 LYS HB3 H -6.064 -2.929 -0.870 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB3 . . . . . . . . . rr_6nm3 1
. 2 . 222 . 1 1 2 LYS HD2 H -6.119 -1.386 -2.575 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD2 . . . . . . . . . rr_6nm3 1
. 2 . 223 . 1 1 2 LYS HD3 H -4.460 -0.833 -2.814 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD3 . . . . . . . . . rr_6nm3 1
. 2 . 224 . 1 1 2 LYS HE2 H -4.466 -2.167 -4.986 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE2 . . . . . . . . . rr_6nm3 1
. 2 . 225 . 1 1 2 LYS HE3 H -6.208 -2.339 -4.767 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE3 . . . . . . . . . rr_6nm3 1
. 2 . 226 . 1 1 2 LYS HG2 H -3.576 -2.975 -2.594 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG2 . . . . . . . . . rr_6nm3 1
. 2 . 227 . 1 1 2 LYS HG3 H -5.081 -3.754 -3.040 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG3 . . . . . . . . . rr_6nm3 1
. 2 . 228 . 1 1 2 LYS HZ1 H -6.566 -0.216 -5.314 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ1 . . . . . . . . . rr_6nm3 1
. 2 . 229 . 1 1 2 LYS HZ2 H -5.015 -0.274 -6.008 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ2 . . . . . . . . . rr_6nm3 1
. 2 . 230 . 1 1 2 LYS HZ3 H -5.226 0.354 -4.444 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ3 . . . . . . . . . rr_6nm3 1
. 2 . 231 . 1 1 2 LYS N N -4.610 -0.706 -0.509 . . . 1.0 . . . . . . . . . . . . A . 2 LYS N . . . . . . . . . rr_6nm3 1
. 2 . 232 . 1 1 2 LYS NZ N -5.555 -0.362 -5.122 . . . 1.0 . . . . . . . . . . . . A . 2 LYS NZ . . . . . . . . . rr_6nm3 1
. 2 . 233 . 1 1 2 LYS O O -2.238 -3.394 0.016 . . . 1.0 . . . . . . . . . . . . A . 2 LYS O . . . . . . . . . rr_6nm3 1
. 2 . 234 . 1 1 3 ILE C C 0.227 -0.356 -0.108 . . . 1.0 . . . . . . . . . . . . A . 3 ILE C . . . . . . . . . rr_6nm3 1
. 2 . 235 . 1 1 3 ILE CA C -0.553 -1.420 -0.895 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CA . . . . . . . . . rr_6nm3 1
. 2 . 236 . 1 1 3 ILE CB C -0.224 -1.317 -2.379 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CB . . . . . . . . . rr_6nm3 1
. 2 . 237 . 1 1 3 ILE CD1 C -0.245 0.246 -4.345 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CD1 . . . . . . . . . rr_6nm3 1
. 2 . 238 . 1 1 3 ILE CG1 C -0.247 0.153 -2.815 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG1 . . . . . . . . . rr_6nm3 1
. 2 . 239 . 1 1 3 ILE CG2 C -1.263 -2.095 -3.180 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG2 . . . . . . . . . rr_6nm3 1
. 2 . 240 . 1 1 3 ILE H H -2.436 -0.441 -0.955 . . . 1.0 . . . . . . . . . . . . A . 3 ILE H . . . . . . . . . rr_6nm3 1
. 2 . 241 . 1 1 3 ILE HA H -0.250 -2.391 -0.547 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HA . . . . . . . . . rr_6nm3 1
. 2 . 242 . 1 1 3 ILE HB H 0.741 -1.739 -2.553 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HB . . . . . . . . . rr_6nm3 1
. 2 . 243 . 1 1 3 ILE HD11 H -1.260 0.337 -4.701 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD11 . . . . . . . . . rr_6nm3 1
. 2 . 244 . 1 1 3 ILE HD12 H 0.204 -0.644 -4.764 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD12 . . . . . . . . . rr_6nm3 1
. 2 . 245 . 1 1 3 ILE HD13 H 0.323 1.110 -4.651 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD13 . . . . . . . . . rr_6nm3 1
. 2 . 246 . 1 1 3 ILE HG12 H -1.139 0.622 -2.430 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG12 . . . . . . . . . rr_6nm3 1
. 2 . 247 . 1 1 3 ILE HG13 H 0.619 0.659 -2.426 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG13 . . . . . . . . . rr_6nm3 1
. 2 . 248 . 1 1 3 ILE HG21 H -0.891 -2.271 -4.177 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG21 . . . . . . . . . rr_6nm3 1
. 2 . 249 . 1 1 3 ILE HG22 H -2.176 -1.520 -3.233 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG22 . . . . . . . . . rr_6nm3 1
. 2 . 250 . 1 1 3 ILE HG23 H -1.455 -3.040 -2.695 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG23 . . . . . . . . . rr_6nm3 1
. 2 . 251 . 1 1 3 ILE N N -1.999 -1.289 -0.731 . . . 1.0 . . . . . . . . . . . . A . 3 ILE N . . . . . . . . . rr_6nm3 1
. 2 . 252 . 1 1 3 ILE O O 1.343 -0.592 0.353 . . . 1.0 . . . . . . . . . . . . A . 3 ILE O . . . . . . . . . rr_6nm3 1
. 2 . 253 . 1 1 4 TRP C C 0.668 1.752 2.094 . . . 1.0 . . . . . . . . . . . . A . 4 TRP C . . . . . . . . . rr_6nm3 1
. 2 . 254 . 1 1 4 TRP CA C 0.243 1.980 0.649 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CA . . . . . . . . . rr_6nm3 1
. 2 . 255 . 1 1 4 TRP CB C -0.736 3.141 0.551 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CB . . . . . . . . . rr_6nm3 1
. 2 . 256 . 1 1 4 TRP CD1 C -2.549 2.590 -1.102 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD1 . . . . . . . . . rr_6nm3 1
. 2 . 257 . 1 1 4 TRP CD2 C -0.664 3.330 -2.068 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD2 . . . . . . . . . rr_6nm3 1
. 2 . 258 . 1 1 4 TRP CE2 C -1.557 3.029 -3.113 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE2 . . . . . . . . . rr_6nm3 1
. 2 . 259 . 1 1 4 TRP CE3 C 0.608 3.824 -2.400 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE3 . . . . . . . . . rr_6nm3 1
. 2 . 260 . 1 1 4 TRP CG C -1.316 3.045 -0.807 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CG . . . . . . . . . rr_6nm3 1
. 2 . 261 . 1 1 4 TRP CH2 C 0.066 3.689 -4.766 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CH2 . . . . . . . . . rr_6nm3 1
. 2 . 262 . 1 1 4 TRP CZ2 C -1.204 3.199 -4.444 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ2 . . . . . . . . . rr_6nm3 1
. 2 . 263 . 1 1 4 TRP CZ3 C 0.971 4.005 -3.741 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ3 . . . . . . . . . rr_6nm3 1
. 2 . 264 . 1 1 4 TRP H H -1.238 0.934 -0.439 . . . 1.0 . . . . . . . . . . . . A . 4 TRP H . . . . . . . . . rr_6nm3 1
. 2 . 265 . 1 1 4 TRP HA H 1.117 2.241 0.088 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HA . . . . . . . . . rr_6nm3 1
. 2 . 266 . 1 1 4 TRP HB2 H -1.509 3.041 1.302 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB2 . . . . . . . . . rr_6nm3 1
. 2 . 267 . 1 1 4 TRP HB3 H -0.217 4.080 0.666 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB3 . . . . . . . . . rr_6nm3 1
. 2 . 268 . 1 1 4 TRP HD1 H -3.295 2.281 -0.385 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HD1 . . . . . . . . . rr_6nm3 1
. 2 . 269 . 1 1 4 TRP HE1 H -3.493 2.283 -2.952 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE1 . . . . . . . . . rr_6nm3 1
. 2 . 270 . 1 1 4 TRP HE3 H 1.311 4.069 -1.617 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE3 . . . . . . . . . rr_6nm3 1
. 2 . 271 . 1 1 4 TRP HH2 H 0.349 3.829 -5.799 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HH2 . . . . . . . . . rr_6nm3 1
. 2 . 272 . 1 1 4 TRP HZ2 H -1.899 2.939 -5.220 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ2 . . . . . . . . . rr_6nm3 1
. 2 . 273 . 1 1 4 TRP HZ3 H 1.954 4.382 -3.983 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ3 . . . . . . . . . rr_6nm3 1
. 2 . 274 . 1 1 4 TRP N N -0.363 0.818 -0.013 . . . 1.0 . . . . . . . . . . . . A . 4 TRP N . . . . . . . . . rr_6nm3 1
. 2 . 275 . 1 1 4 TRP NE1 N -2.693 2.574 -2.474 . . . 1.0 . . . . . . . . . . . . A . 4 TRP NE1 . . . . . . . . . rr_6nm3 1
. 2 . 276 . 1 1 4 TRP O O 0.570 2.667 2.912 . . . 1.0 . . . . . . . . . . . . A . 4 TRP O . . . . . . . . . rr_6nm3 1
. 2 . 277 . 1 1 5 TRP C C 2.815 -0.533 3.907 . . . 1.0 . . . . . . . . . . . . A . 5 TRP C . . . . . . . . . rr_6nm3 1
. 2 . 278 . 1 1 5 TRP CA C 1.529 0.286 3.805 . . . 1.0 . . . . . . . . . . . . A . 5 TRP CA . . . . . . . . . rr_6nm3 1
. 2 . 279 . 1 1 5 TRP CB C 0.422 -0.497 4.500 . . . 1.0 . . . . . . . . . . . . A . 5 TRP CB . . . . . . . . . rr_6nm3 1
. 2 . 280 . 1 1 5 TRP CD1 C -0.841 -1.073 2.426 . . . 1.0 . . . . . . . . . . . . A . 5 TRP CD1 . . . . . . . . . rr_6nm3 1
. 2 . 281 . 1 1 5 TRP CD2 C -2.118 0.027 3.904 . . . 1.0 . . . . . . . . . . . . A . 5 TRP CD2 . . . . . . . . . rr_6nm3 1
. 2 . 282 . 1 1 5 TRP CE2 C -2.932 -0.255 2.785 . . . 1.0 . . . . . . . . . . . . A . 5 TRP CE2 . . . . . . . . . rr_6nm3 1
. 2 . 283 . 1 1 5 TRP CE3 C -2.691 0.721 4.984 . . . 1.0 . . . . . . . . . . . . A . 5 TRP CE3 . . . . . . . . . rr_6nm3 1
. 2 . 284 . 1 1 5 TRP CG C -0.792 -0.515 3.646 . . . 1.0 . . . . . . . . . . . . A . 5 TRP CG . . . . . . . . . rr_6nm3 1
. 2 . 285 . 1 1 5 TRP CH2 C -4.823 0.826 3.811 . . . 1.0 . . . . . . . . . . . . A . 5 TRP CH2 . . . . . . . . . rr_6nm3 1
. 2 . 286 . 1 1 5 TRP CZ2 C -4.265 0.135 2.732 . . . 1.0 . . . . . . . . . . . . A . 5 TRP CZ2 . . . . . . . . . rr_6nm3 1
. 2 . 287 . 1 1 5 TRP CZ3 C -4.038 1.119 4.936 . . . 1.0 . . . . . . . . . . . . A . 5 TRP CZ3 . . . . . . . . . rr_6nm3 1
. 2 . 288 . 1 1 5 TRP H H 1.179 -0.157 1.751 . . . 1.0 . . . . . . . . . . . . A . 5 TRP H . . . . . . . . . rr_6nm3 1
. 2 . 289 . 1 1 5 TRP HA H 1.666 1.217 4.323 . . . 1.0 . . . . . . . . . . . . A . 5 TRP HA . . . . . . . . . rr_6nm3 1
. 2 . 290 . 1 1 5 TRP HB2 H 0.753 -1.511 4.644 . . . 1.0 . . . . . . . . . . . . A . 5 TRP HB2 . . . . . . . . . rr_6nm3 1
. 2 . 291 . 1 1 5 TRP HB3 H 0.195 -0.053 5.451 . . . 1.0 . . . . . . . . . . . . A . 5 TRP HB3 . . . . . . . . . rr_6nm3 1
. 2 . 292 . 1 1 5 TRP HD1 H -0.022 -1.554 1.929 . . . 1.0 . . . . . . . . . . . . A . 5 TRP HD1 . . . . . . . . . rr_6nm3 1
. 2 . 293 . 1 1 5 TRP HE1 H -2.388 -1.259 1.050 . . . 1.0 . . . . . . . . . . . . A . 5 TRP HE1 . . . . . . . . . rr_6nm3 1
. 2 . 294 . 1 1 5 TRP HE3 H -2.092 0.952 5.851 . . . 1.0 . . . . . . . . . . . . A . 5 TRP HE3 . . . . . . . . . rr_6nm3 1
. 2 . 295 . 1 1 5 TRP HH2 H -5.859 1.134 3.779 . . . 1.0 . . . . . . . . . . . . A . 5 TRP HH2 . . . . . . . . . rr_6nm3 1
. 2 . 296 . 1 1 5 TRP HZ2 H -4.858 -0.094 1.862 . . . 1.0 . . . . . . . . . . . . A . 5 TRP HZ2 . . . . . . . . . rr_6nm3 1
. 2 . 297 . 1 1 5 TRP HZ3 H -4.470 1.652 5.769 . . . 1.0 . . . . . . . . . . . . A . 5 TRP HZ3 . . . . . . . . . rr_6nm3 1
. 2 . 298 . 1 1 5 TRP N N 1.123 0.552 2.426 . . . 1.0 . . . . . . . . . . . . A . 5 TRP N . . . . . . . . . rr_6nm3 1
. 2 . 299 . 1 1 5 TRP NE1 N -2.102 -0.929 1.916 . . . 1.0 . . . . . . . . . . . . A . 5 TRP NE1 . . . . . . . . . rr_6nm3 1
. 2 . 300 . 1 1 5 TRP O O 3.783 -0.122 4.546 . . . 1.0 . . . . . . . . . . . . A . 5 TRP O . . . . . . . . . rr_6nm3 1
. 2 . 301 . 1 1 6 TRP C C 5.048 -2.431 2.484 . . . 1.0 . . . . . . . . . . . . A . 6 TRP C . . . . . . . . . rr_6nm3 1
. 2 . 302 . 1 1 6 TRP CA C 3.878 -2.676 3.457 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CA . . . . . . . . . rr_6nm3 1
. 2 . 303 . 1 1 6 TRP CB C 3.326 -4.095 3.254 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CB . . . . . . . . . rr_6nm3 1
. 2 . 304 . 1 1 6 TRP CD1 C 0.983 -3.679 2.460 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD1 . . . . . . . . . rr_6nm3 1
. 2 . 305 . 1 1 6 TRP CD2 C 2.291 -4.548 0.860 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD2 . . . . . . . . . rr_6nm3 1
. 2 . 306 . 1 1 6 TRP CE2 C 1.019 -4.365 0.282 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE2 . . . . . . . . . rr_6nm3 1
. 2 . 307 . 1 1 6 TRP CE3 C 3.308 -5.090 0.061 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE3 . . . . . . . . . rr_6nm3 1
. 2 . 308 . 1 1 6 TRP CG C 2.242 -4.092 2.239 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CG . . . . . . . . . rr_6nm3 1
. 2 . 309 . 1 1 6 TRP CH2 C 1.778 -5.257 -1.825 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CH2 . . . . . . . . . rr_6nm3 1
. 2 . 310 . 1 1 6 TRP CZ2 C 0.758 -4.712 -1.044 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ2 . . . . . . . . . rr_6nm3 1
. 2 . 311 . 1 1 6 TRP CZ3 C 3.053 -5.443 -1.275 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ3 . . . . . . . . . rr_6nm3 1
. 2 . 312 . 1 1 6 TRP H H 1.932 -2.015 2.925 . . . 1.0 . . . . . . . . . . . . A . 6 TRP H . . . . . . . . . rr_6nm3 1
. 2 . 313 . 1 1 6 TRP HA H 4.267 -2.619 4.460 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HA . . . . . . . . . rr_6nm3 1
. 2 . 314 . 1 1 6 TRP HB2 H 4.104 -4.743 2.915 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HB2 . . . . . . . . . rr_6nm3 1
. 2 . 315 . 1 1 6 TRP HB3 H 2.929 -4.461 4.190 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HB3 . . . . . . . . . rr_6nm3 1
. 2 . 316 . 1 1 6 TRP HD1 H 0.606 -3.278 3.386 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HD1 . . . . . . . . . rr_6nm3 1
. 2 . 317 . 1 1 6 TRP HE1 H -0.670 -3.570 1.185 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE1 . . . . . . . . . rr_6nm3 1
. 2 . 318 . 1 1 6 TRP HE3 H 4.295 -5.223 0.473 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE3 . . . . . . . . . rr_6nm3 1
. 2 . 319 . 1 1 6 TRP HH2 H 1.587 -5.529 -2.853 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HH2 . . . . . . . . . rr_6nm3 1
. 2 . 320 . 1 1 6 TRP HZ2 H -0.228 -4.565 -1.461 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ2 . . . . . . . . . rr_6nm3 1
. 2 . 321 . 1 1 6 TRP HZ3 H 3.843 -5.864 -1.879 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ3 . . . . . . . . . rr_6nm3 1
. 2 . 322 . 1 1 6 TRP N N 2.765 -1.732 3.352 . . . 1.0 . . . . . . . . . . . . A . 6 TRP N . . . . . . . . . rr_6nm3 1
. 2 . 323 . 1 1 6 TRP NE1 N 0.261 -3.818 1.295 . . . 1.0 . . . . . . . . . . . . A . 6 TRP NE1 . . . . . . . . . rr_6nm3 1
. 2 . 324 . 1 1 6 TRP O O 6.152 -2.101 2.918 . . . 1.0 . . . . . . . . . . . . A . 6 TRP O . . . . . . . . . rr_6nm3 1
. 2 . 325 . 1 1 7 TRP C C 6.572 -1.137 0.198 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . rr_6nm3 1
. 2 . 326 . 1 1 7 TRP CA C 5.906 -2.515 0.200 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . rr_6nm3 1
. 2 . 327 . 1 1 7 TRP CB C 5.359 -2.782 -1.196 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . rr_6nm3 1
. 2 . 328 . 1 1 7 TRP CD1 C 3.066 -1.785 -1.191 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . rr_6nm3 1
. 2 . 329 . 1 1 7 TRP CD2 C 4.584 -0.477 -2.191 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . rr_6nm3 1
. 2 . 330 . 1 1 7 TRP CE2 C 3.359 0.212 -2.259 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . rr_6nm3 1
. 2 . 331 . 1 1 7 TRP CE3 C 5.719 0.125 -2.748 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . rr_6nm3 1
. 2 . 332 . 1 1 7 TRP CG C 4.368 -1.737 -1.513 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . rr_6nm3 1
. 2 . 333 . 1 1 7 TRP CH2 C 4.405 2.052 -3.418 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . rr_6nm3 1
. 2 . 334 . 1 1 7 TRP CZ2 C 3.262 1.466 -2.865 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . rr_6nm3 1
. 2 . 335 . 1 1 7 TRP CZ3 C 5.632 1.383 -3.357 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . rr_6nm3 1
. 2 . 336 . 1 1 7 TRP H H 3.945 -2.960 0.903 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . rr_6nm3 1
. 2 . 337 . 1 1 7 TRP HA H 6.660 -3.257 0.411 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . rr_6nm3 1
. 2 . 338 . 1 1 7 TRP HB2 H 6.158 -2.734 -1.913 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . rr_6nm3 1
. 2 . 339 . 1 1 7 TRP HB3 H 4.896 -3.749 -1.234 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . rr_6nm3 1
. 2 . 340 . 1 1 7 TRP HD1 H 2.578 -2.589 -0.669 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . rr_6nm3 1
. 2 . 341 . 1 1 7 TRP HE1 H 1.526 -0.416 -1.491 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . rr_6nm3 1
. 2 . 342 . 1 1 7 TRP HE3 H 6.666 -0.380 -2.693 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . rr_6nm3 1
. 2 . 343 . 1 1 7 TRP HH2 H 4.343 3.022 -3.883 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . rr_6nm3 1
. 2 . 344 . 1 1 7 TRP HZ2 H 2.316 1.978 -2.910 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . rr_6nm3 1
. 2 . 345 . 1 1 7 TRP HZ3 H 6.513 1.837 -3.784 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . rr_6nm3 1
. 2 . 346 . 1 1 7 TRP N N 4.829 -2.652 1.193 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . rr_6nm3 1
. 2 . 347 . 1 1 7 TRP NE1 N 2.466 -0.628 -1.618 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . rr_6nm3 1
. 2 . 348 . 1 1 7 TRP O O 7.471 -0.896 -0.607 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . rr_6nm3 1
. 2 . 349 . 1 1 8 LEU C C 8.043 1.031 1.954 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . rr_6nm3 1
. 2 . 350 . 1 1 8 LEU CA C 6.782 1.087 1.108 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . rr_6nm3 1
. 2 . 351 . 1 1 8 LEU CB C 5.831 2.143 1.684 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . rr_6nm3 1
. 2 . 352 . 1 1 8 LEU CD1 C 3.449 2.744 2.134 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . rr_6nm3 1
. 2 . 353 . 1 1 8 LEU CD2 C 4.098 1.869 -0.105 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . rr_6nm3 1
. 2 . 354 . 1 1 8 LEU CG C 4.376 1.776 1.391 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . rr_6nm3 1
. 2 . 355 . 1 1 8 LEU H H 5.457 -0.460 1.718 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . rr_6nm3 1
. 2 . 356 . 1 1 8 LEU HA H 7.049 1.371 0.096 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . rr_6nm3 1
. 2 . 357 . 1 1 8 LEU HB2 H 5.970 2.207 2.754 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . rr_6nm3 1
. 2 . 358 . 1 1 8 LEU HB3 H 6.051 3.103 1.240 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . rr_6nm3 1
. 2 . 359 . 1 1 8 LEU HD11 H 2.672 3.088 1.469 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . rr_6nm3 1
. 2 . 360 . 1 1 8 LEU HD12 H 4.016 3.593 2.485 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . rr_6nm3 1
. 2 . 361 . 1 1 8 LEU HD13 H 3.006 2.239 2.975 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . rr_6nm3 1
. 2 . 362 . 1 1 8 LEU HD21 H 4.014 2.903 -0.397 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . rr_6nm3 1
. 2 . 363 . 1 1 8 LEU HD22 H 3.171 1.360 -0.318 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . rr_6nm3 1
. 2 . 364 . 1 1 8 LEU HD23 H 4.901 1.403 -0.649 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . rr_6nm3 1
. 2 . 365 . 1 1 8 LEU HG H 4.188 0.767 1.724 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . rr_6nm3 1
. 2 . 366 . 1 1 8 LEU N N 6.162 -0.237 1.080 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . rr_6nm3 1
. 2 . 367 . 1 1 8 LEU O O 8.924 1.881 1.826 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . rr_6nm3 1
. 2 . 368 . 1 1 9 NH2 HN1 H 7.469 -0.605 2.915 . . . 1.0 . . . . . . . . . . . . A . 9 NH2 HN1 . . . . . . . . . rr_6nm3 1
. 2 . 369 . 1 1 9 NH2 HN2 H 8.973 0.014 3.373 . . . 1.0 . . . . . . . . . . . . A . 9 NH2 HN2 . . . . . . . . . rr_6nm3 1
. 2 . 370 . 1 1 9 NH2 N N 8.175 0.067 2.820 . . . 1.0 . . . . . . . . . . . . A . 9 NH2 N . . . . . . . . . rr_6nm3 1
. 3 . 371 . 1 1 1 ARG C C -5.952 0.558 -0.272 . . . 1.0 . . . . . . . . . . . . A . 1 ARG C . . . . . . . . . rr_6nm3 1
. 3 . 372 . 1 1 1 ARG CA C -6.113 1.902 0.445 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CA . . . . . . . . . rr_6nm3 1
. 3 . 373 . 1 1 1 ARG CB C -5.099 2.050 1.588 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CB . . . . . . . . . rr_6nm3 1
. 3 . 374 . 1 1 1 ARG CD C -6.139 4.207 2.311 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CD . . . . . . . . . rr_6nm3 1
. 3 . 375 . 1 1 1 ARG CG C -4.840 3.535 1.857 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CG . . . . . . . . . rr_6nm3 1
. 3 . 376 . 1 1 1 ARG CZ C -6.846 6.442 2.945 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CZ . . . . . . . . . rr_6nm3 1
. 3 . 377 . 1 1 1 ARG H1 H -7.819 1.045 1.272 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H1 . . . . . . . . . rr_6nm3 1
. 3 . 378 . 1 1 1 ARG H2 H -8.129 2.395 0.288 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H2 . . . . . . . . . rr_6nm3 1
. 3 . 379 . 1 1 1 ARG H3 H -7.483 2.606 1.845 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H3 . . . . . . . . . rr_6nm3 1
. 3 . 380 . 1 1 1 ARG HA H -5.967 2.700 -0.269 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HA . . . . . . . . . rr_6nm3 1
. 3 . 381 . 1 1 1 ARG HB2 H -5.497 1.591 2.479 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB2 . . . . . . . . . rr_6nm3 1
. 3 . 382 . 1 1 1 ARG HB3 H -4.170 1.572 1.323 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB3 . . . . . . . . . rr_6nm3 1
. 3 . 383 . 1 1 1 ARG HD2 H -6.825 4.256 1.479 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD2 . . . . . . . . . rr_6nm3 1
. 3 . 384 . 1 1 1 ARG HD3 H -6.582 3.627 3.106 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD3 . . . . . . . . . rr_6nm3 1
. 3 . 385 . 1 1 1 ARG HE H -4.946 5.815 3.006 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HE . . . . . . . . . rr_6nm3 1
. 3 . 386 . 1 1 1 ARG HG2 H -4.093 3.635 2.632 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG2 . . . . . . . . . rr_6nm3 1
. 3 . 387 . 1 1 1 ARG HG3 H -4.488 4.010 0.955 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG3 . . . . . . . . . rr_6nm3 1
. 3 . 388 . 1 1 1 ARG HH11 H -5.634 7.900 3.588 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH11 . . . . . . . . . rr_6nm3 1
. 3 . 389 . 1 1 1 ARG HH12 H -7.313 8.313 3.489 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH12 . . . . . . . . . rr_6nm3 1
. 3 . 390 . 1 1 1 ARG HH21 H -8.283 5.187 2.340 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH21 . . . . . . . . . rr_6nm3 1
. 3 . 391 . 1 1 1 ARG HH22 H -8.813 6.775 2.782 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH22 . . . . . . . . . rr_6nm3 1
. 3 . 392 . 1 1 1 ARG N N -7.490 1.994 1.004 . . . 1.0 . . . . . . . . . . . . A . 1 ARG N . . . . . . . . . rr_6nm3 1
. 3 . 393 . 1 1 1 ARG NE N -5.866 5.556 2.792 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NE . . . . . . . . . rr_6nm3 1
. 3 . 394 . 1 1 1 ARG NH1 N -6.576 7.645 3.374 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH1 . . . . . . . . . rr_6nm3 1
. 3 . 395 . 1 1 1 ARG NH2 N -8.077 6.109 2.668 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH2 . . . . . . . . . rr_6nm3 1
. 3 . 396 . 1 1 1 ARG O O -6.879 0.092 -0.932 . . . 1.0 . . . . . . . . . . . . A . 1 ARG O . . . . . . . . . rr_6nm3 1
. 3 . 397 . 1 1 2 LYS C C -3.204 -1.935 -0.379 . . . 1.0 . . . . . . . . . . . . A . 2 LYS C . . . . . . . . . rr_6nm3 1
. 3 . 398 . 1 1 2 LYS CA C -4.525 -1.331 -0.823 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CA . . . . . . . . . rr_6nm3 1
. 3 . 399 . 1 1 2 LYS CB C -4.519 -1.124 -2.339 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CB . . . . . . . . . rr_6nm3 1
. 3 . 400 . 1 1 2 LYS CD C -3.665 -2.452 -4.302 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CD . . . . . . . . . rr_6nm3 1
. 3 . 401 . 1 1 2 LYS CE C -4.464 -1.902 -5.486 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CE . . . . . . . . . rr_6nm3 1
. 3 . 402 . 1 1 2 LYS CG C -4.549 -2.487 -3.049 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CG . . . . . . . . . rr_6nm3 1
. 3 . 403 . 1 1 2 LYS H H -4.061 0.360 0.368 . . . 1.0 . . . . . . . . . . . . A . 2 LYS H . . . . . . . . . rr_6nm3 1
. 3 . 404 . 1 1 2 LYS HA H -5.304 -2.020 -0.574 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HA . . . . . . . . . rr_6nm3 1
. 3 . 405 . 1 1 2 LYS HB2 H -5.389 -0.549 -2.624 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB2 . . . . . . . . . rr_6nm3 1
. 3 . 406 . 1 1 2 LYS HB3 H -3.629 -0.585 -2.620 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB3 . . . . . . . . . rr_6nm3 1
. 3 . 407 . 1 1 2 LYS HD2 H -2.808 -1.820 -4.122 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD2 . . . . . . . . . rr_6nm3 1
. 3 . 408 . 1 1 2 LYS HD3 H -3.328 -3.452 -4.530 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD3 . . . . . . . . . rr_6nm3 1
. 3 . 409 . 1 1 2 LYS HE2 H -3.822 -1.829 -6.351 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE2 . . . . . . . . . rr_6nm3 1
. 3 . 410 . 1 1 2 LYS HE3 H -5.287 -2.568 -5.704 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE3 . . . . . . . . . rr_6nm3 1
. 3 . 411 . 1 1 2 LYS HG2 H -4.185 -3.252 -2.379 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG2 . . . . . . . . . rr_6nm3 1
. 3 . 412 . 1 1 2 LYS HG3 H -5.564 -2.718 -3.337 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG3 . . . . . . . . . rr_6nm3 1
. 3 . 413 . 1 1 2 LYS HZ1 H -5.929 -0.648 -4.702 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ1 . . . . . . . . . rr_6nm3 1
. 3 . 414 . 1 1 2 LYS HZ2 H -5.076 0.017 -6.013 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ2 . . . . . . . . . rr_6nm3 1
. 3 . 415 . 1 1 2 LYS HZ3 H -4.345 -0.082 -4.482 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ3 . . . . . . . . . rr_6nm3 1
. 3 . 416 . 1 1 2 LYS N N -4.774 -0.055 -0.158 . . . 1.0 . . . . . . . . . . . . A . 2 LYS N . . . . . . . . . rr_6nm3 1
. 3 . 417 . 1 1 2 LYS NZ N -4.993 -0.552 -5.145 . . . 1.0 . . . . . . . . . . . . A . 2 LYS NZ . . . . . . . . . rr_6nm3 1
. 3 . 418 . 1 1 2 LYS O O -3.177 -2.838 0.457 . . . 1.0 . . . . . . . . . . . . A . 2 LYS O . . . . . . . . . rr_6nm3 1
. 3 . 419 . 1 1 3 ILE C C 0.101 -0.813 -0.097 . . . 1.0 . . . . . . . . . . . . A . 3 ILE C . . . . . . . . . rr_6nm3 1
. 3 . 420 . 1 1 3 ILE CA C -0.784 -1.946 -0.624 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CA . . . . . . . . . rr_6nm3 1
. 3 . 421 . 1 1 3 ILE CB C -0.173 -2.560 -1.873 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CB . . . . . . . . . rr_6nm3 1
. 3 . 422 . 1 1 3 ILE CD1 C 0.077 -2.219 -4.343 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CD1 . . . . . . . . . rr_6nm3 1
. 3 . 423 . 1 1 3 ILE CG1 C -0.160 -1.520 -3.003 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG1 . . . . . . . . . rr_6nm3 1
. 3 . 424 . 1 1 3 ILE CG2 C -1.006 -3.776 -2.293 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG2 . . . . . . . . . rr_6nm3 1
. 3 . 425 . 1 1 3 ILE H H -2.204 -0.734 -1.620 . . . 1.0 . . . . . . . . . . . . A . 3 ILE H . . . . . . . . . rr_6nm3 1
. 3 . 426 . 1 1 3 ILE HA H -0.864 -2.714 0.129 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HA . . . . . . . . . rr_6nm3 1
. 3 . 427 . 1 1 3 ILE HB H 0.823 -2.874 -1.655 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HB . . . . . . . . . rr_6nm3 1
. 3 . 428 . 1 1 3 ILE HD11 H -0.816 -2.749 -4.637 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD11 . . . . . . . . . rr_6nm3 1
. 3 . 429 . 1 1 3 ILE HD12 H 0.894 -2.916 -4.244 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD12 . . . . . . . . . rr_6nm3 1
. 3 . 430 . 1 1 3 ILE HD13 H 0.321 -1.481 -5.092 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD13 . . . . . . . . . rr_6nm3 1
. 3 . 431 . 1 1 3 ILE HG12 H -1.106 -1.004 -3.029 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG12 . . . . . . . . . rr_6nm3 1
. 3 . 432 . 1 1 3 ILE HG13 H 0.629 -0.808 -2.830 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG13 . . . . . . . . . rr_6nm3 1
. 3 . 433 . 1 1 3 ILE HG21 H -1.907 -3.441 -2.775 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG21 . . . . . . . . . rr_6nm3 1
. 3 . 434 . 1 1 3 ILE HG22 H -1.262 -4.359 -1.422 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG22 . . . . . . . . . rr_6nm3 1
. 3 . 435 . 1 1 3 ILE HG23 H -0.435 -4.384 -2.980 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG23 . . . . . . . . . rr_6nm3 1
. 3 . 436 . 1 1 3 ILE N N -2.114 -1.446 -0.953 . . . 1.0 . . . . . . . . . . . . A . 3 ILE N . . . . . . . . . rr_6nm3 1
. 3 . 437 . 1 1 3 ILE O O 1.295 -0.982 0.128 . . . 1.0 . . . . . . . . . . . . A . 3 ILE O . . . . . . . . . rr_6nm3 1
. 3 . 438 . 1 1 4 TRP C C 0.637 1.459 1.989 . . . 1.0 . . . . . . . . . . . . A . 4 TRP C . . . . . . . . . rr_6nm3 1
. 3 . 439 . 1 1 4 TRP CA C 0.162 1.547 0.556 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CA . . . . . . . . . rr_6nm3 1
. 3 . 440 . 1 1 4 TRP CB C -0.795 2.709 0.401 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CB . . . . . . . . . rr_6nm3 1
. 3 . 441 . 1 1 4 TRP CD1 C -2.397 1.935 -1.366 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD1 . . . . . . . . . rr_6nm3 1
. 3 . 442 . 1 1 4 TRP CD2 C -0.690 3.132 -2.194 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD2 . . . . . . . . . rr_6nm3 1
. 3 . 443 . 1 1 4 TRP CE2 C -1.479 2.742 -3.295 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE2 . . . . . . . . . rr_6nm3 1
. 3 . 444 . 1 1 4 TRP CE3 C 0.459 3.904 -2.432 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE3 . . . . . . . . . rr_6nm3 1
. 3 . 445 . 1 1 4 TRP CG C -1.297 2.611 -0.986 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CG . . . . . . . . . rr_6nm3 1
. 3 . 446 . 1 1 4 TRP CH2 C 0.010 3.871 -4.822 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CH2 . . . . . . . . . rr_6nm3 1
. 3 . 447 . 1 1 4 TRP CZ2 C -1.138 3.102 -4.596 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ2 . . . . . . . . . rr_6nm3 1
. 3 . 448 . 1 1 4 TRP CZ3 C 0.806 4.271 -3.738 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ3 . . . . . . . . . rr_6nm3 1
. 3 . 449 . 1 1 4 TRP H H -1.471 0.393 -0.127 . . . 1.0 . . . . . . . . . . . . A . 4 TRP H . . . . . . . . . rr_6nm3 1
. 3 . 450 . 1 1 4 TRP HA H 1.013 1.723 -0.076 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HA . . . . . . . . . rr_6nm3 1
. 3 . 451 . 1 1 4 TRP HB2 H -1.610 2.612 1.116 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB2 . . . . . . . . . rr_6nm3 1
. 3 . 452 . 1 1 4 TRP HB3 H -0.277 3.645 0.544 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB3 . . . . . . . . . rr_6nm3 1
. 3 . 453 . 1 1 4 TRP HD1 H -3.073 1.418 -0.706 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HD1 . . . . . . . . . rr_6nm3 1
. 3 . 454 . 1 1 4 TRP HE1 H -3.214 1.588 -3.259 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE1 . . . . . . . . . rr_6nm3 1
. 3 . 455 . 1 1 4 TRP HE3 H 1.078 4.216 -1.604 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE3 . . . . . . . . . rr_6nm3 1
. 3 . 456 . 1 1 4 TRP HH2 H 0.281 4.156 -5.827 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HH2 . . . . . . . . . rr_6nm3 1
. 3 . 457 . 1 1 4 TRP HZ2 H -1.751 2.786 -5.422 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ2 . . . . . . . . . rr_6nm3 1
. 3 . 458 . 1 1 4 TRP HZ3 H 1.693 4.862 -3.908 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ3 . . . . . . . . . rr_6nm3 1
. 3 . 459 . 1 1 4 TRP N N -0.515 0.338 0.082 . . . 1.0 . . . . . . . . . . . . A . 4 TRP N . . . . . . . . . rr_6nm3 1
. 3 . 460 . 1 1 4 TRP NE1 N -2.506 2.003 -2.736 . . . 1.0 . . . . . . . . . . . . A . 4 TRP NE1 . . . . . . . . . rr_6nm3 1
. 3 . 461 . 1 1 4 TRP O O 0.581 2.449 2.718 . . . 1.0 . . . . . . . . . . . . A . 4 TRP O . . . . . . . . . rr_6nm3 1
. 3 . 462 . 1 1 5 TRP C C 2.880 -0.506 3.931 . . . 1.0 . . . . . . . . . . . . A . 5 TRP C . . . . . . . . . rr_6nm3 1
. 3 . 463 . 1 1 5 TRP CA C 1.496 0.129 3.791 . . . 1.0 . . . . . . . . . . . . A . 5 TRP CA . . . . . . . . . rr_6nm3 1
. 3 . 464 . 1 1 5 TRP CB C 0.490 -0.760 4.510 . . . 1.0 . . . . . . . . . . . . A . 5 TRP CB . . . . . . . . . rr_6nm3 1
. 3 . 465 . 1 1 5 TRP CD1 C -0.600 -1.644 2.423 . . . 1.0 . . . . . . . . . . . . A . 5 TRP CD1 . . . . . . . . . rr_6nm3 1
. 3 . 466 . 1 1 5 TRP CD2 C -2.091 -0.741 3.832 . . . 1.0 . . . . . . . . . . . . A . 5 TRP CD2 . . . . . . . . . rr_6nm3 1
. 3 . 467 . 1 1 5 TRP CE2 C -2.815 -1.234 2.724 . . . 1.0 . . . . . . . . . . . . A . 5 TRP CE2 . . . . . . . . . rr_6nm3 1
. 3 . 468 . 1 1 5 TRP CE3 C -2.805 -0.115 4.862 . . . 1.0 . . . . . . . . . . . . A . 5 TRP CE3 . . . . . . . . . rr_6nm3 1
. 3 . 469 . 1 1 5 TRP CG C -0.680 -1.038 3.623 . . . 1.0 . . . . . . . . . . . . A . 5 TRP CG . . . . . . . . . rr_6nm3 1
. 3 . 470 . 1 1 5 TRP CH2 C -4.898 -0.489 3.672 . . . 1.0 . . . . . . . . . . . . A . 5 TRP CH2 . . . . . . . . . rr_6nm3 1
. 3 . 471 . 1 1 5 TRP CZ2 C -4.198 -1.113 2.638 . . . 1.0 . . . . . . . . . . . . A . 5 TRP CZ2 . . . . . . . . . rr_6nm3 1
. 3 . 472 . 1 1 5 TRP CZ3 C -4.202 0.013 4.783 . . . 1.0 . . . . . . . . . . . . A . 5 TRP CZ3 . . . . . . . . . rr_6nm3 1
. 3 . 473 . 1 1 5 TRP H H 1.067 -0.483 1.807 . . . 1.0 . . . . . . . . . . . . A . 5 TRP H . . . . . . . . . rr_6nm3 1
. 3 . 474 . 1 1 5 TRP HA H 1.505 1.089 4.273 . . . 1.0 . . . . . . . . . . . . A . 5 TRP HA . . . . . . . . . rr_6nm3 1
. 3 . 475 . 1 1 5 TRP HB2 H 0.963 -1.695 4.754 . . . 1.0 . . . . . . . . . . . . A . 5 TRP HB2 . . . . . . . . . rr_6nm3 1
. 3 . 476 . 1 1 5 TRP HB3 H 0.157 -0.281 5.411 . . . 1.0 . . . . . . . . . . . . A . 5 TRP HB3 . . . . . . . . . rr_6nm3 1
. 3 . 477 . 1 1 5 TRP HD1 H 0.300 -1.978 1.944 . . . 1.0 . . . . . . . . . . . . A . 5 TRP HD1 . . . . . . . . . rr_6nm3 1
. 3 . 478 . 1 1 5 TRP HE1 H -2.064 -2.202 1.053 . . . 1.0 . . . . . . . . . . . . A . 5 TRP HE1 . . . . . . . . . rr_6nm3 1
. 3 . 479 . 1 1 5 TRP HE3 H -2.276 0.284 5.709 . . . 1.0 . . . . . . . . . . . . A . 5 TRP HE3 . . . . . . . . . rr_6nm3 1
. 3 . 480 . 1 1 5 TRP HH2 H -5.972 -0.388 3.616 . . . 1.0 . . . . . . . . . . . . A . 5 TRP HH2 . . . . . . . . . rr_6nm3 1
. 3 . 481 . 1 1 5 TRP HZ2 H -4.722 -1.503 1.775 . . . 1.0 . . . . . . . . . . . . A . 5 TRP HZ2 . . . . . . . . . rr_6nm3 1
. 3 . 482 . 1 1 5 TRP HZ3 H -4.744 0.497 5.582 . . . 1.0 . . . . . . . . . . . . A . 5 TRP HZ3 . . . . . . . . . rr_6nm3 1
. 3 . 483 . 1 1 5 TRP N N 1.064 0.286 2.413 . . . 1.0 . . . . . . . . . . . . A . 5 TRP N . . . . . . . . . rr_6nm3 1
. 3 . 484 . 1 1 5 TRP NE1 N -1.858 -1.775 1.903 . . . 1.0 . . . . . . . . . . . . A . 5 TRP NE1 . . . . . . . . . rr_6nm3 1
. 3 . 485 . 1 1 5 TRP O O 3.777 0.059 4.557 . . . 1.0 . . . . . . . . . . . . A . 5 TRP O . . . . . . . . . rr_6nm3 1
. 3 . 486 . 1 1 6 TRP C C 5.360 -2.172 2.568 . . . 1.0 . . . . . . . . . . . . A . 6 TRP C . . . . . . . . . rr_6nm3 1
. 3 . 487 . 1 1 6 TRP CA C 4.243 -2.491 3.583 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CA . . . . . . . . . rr_6nm3 1
. 3 . 488 . 1 1 6 TRP CB C 3.900 -3.984 3.516 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CB . . . . . . . . . rr_6nm3 1
. 3 . 489 . 1 1 6 TRP CD1 C 1.567 -3.942 2.592 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD1 . . . . . . . . . rr_6nm3 1
. 3 . 490 . 1 1 6 TRP CD2 C 3.045 -4.841 1.165 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD2 . . . . . . . . . rr_6nm3 1
. 3 . 491 . 1 1 6 TRP CE2 C 1.791 -4.879 0.520 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE2 . . . . . . . . . rr_6nm3 1
. 3 . 492 . 1 1 6 TRP CE3 C 4.158 -5.353 0.483 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE3 . . . . . . . . . rr_6nm3 1
. 3 . 493 . 1 1 6 TRP CG C 2.874 -4.231 2.473 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CG . . . . . . . . . rr_6nm3 1
. 3 . 494 . 1 1 6 TRP CH2 C 2.761 -5.925 -1.425 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CH2 . . . . . . . . . rr_6nm3 1
. 3 . 495 . 1 1 6 TRP CZ2 C 1.645 -5.412 -0.761 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ2 . . . . . . . . . rr_6nm3 1
. 3 . 496 . 1 1 6 TRP CZ3 C 4.017 -5.893 -0.807 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ3 . . . . . . . . . rr_6nm3 1
. 3 . 497 . 1 1 6 TRP H H 2.226 -2.137 3.009 . . . 1.0 . . . . . . . . . . . . A . 6 TRP H . . . . . . . . . rr_6nm3 1
. 3 . 498 . 1 1 6 TRP HA H 4.632 -2.295 4.569 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HA . . . . . . . . . rr_6nm3 1
. 3 . 499 . 1 1 6 TRP HB2 H 4.774 -4.549 3.274 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HB2 . . . . . . . . . rr_6nm3 1
. 3 . 500 . 1 1 6 TRP HB3 H 3.512 -4.305 4.473 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HB3 . . . . . . . . . rr_6nm3 1
. 3 . 501 . 1 1 6 TRP HD1 H 1.102 -3.480 3.447 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HD1 . . . . . . . . . rr_6nm3 1
. 3 . 502 . 1 1 6 TRP HE1 H -0.022 -4.180 1.254 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE1 . . . . . . . . . rr_6nm3 1
. 3 . 503 . 1 1 6 TRP HE3 H 5.130 -5.321 0.949 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE3 . . . . . . . . . rr_6nm3 1
. 3 . 504 . 1 1 6 TRP HH2 H 2.657 -6.340 -2.417 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HH2 . . . . . . . . . rr_6nm3 1
. 3 . 505 . 1 1 6 TRP HZ2 H 0.676 -5.438 -1.231 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ2 . . . . . . . . . rr_6nm3 1
. 3 . 506 . 1 1 6 TRP HZ3 H 4.881 -6.289 -1.321 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ3 . . . . . . . . . rr_6nm3 1
. 3 . 507 . 1 1 6 TRP N N 3.005 -1.721 3.427 . . . 1.0 . . . . . . . . . . . . A . 6 TRP N . . . . . . . . . rr_6nm3 1
. 3 . 508 . 1 1 6 TRP NE1 N 0.924 -4.304 1.427 . . . 1.0 . . . . . . . . . . . . A . 6 TRP NE1 . . . . . . . . . rr_6nm3 1
. 3 . 509 . 1 1 6 TRP O O 6.411 -1.655 2.948 . . . 1.0 . . . . . . . . . . . . A . 6 TRP O . . . . . . . . . rr_6nm3 1
. 3 . 510 . 1 1 7 TRP C C 6.716 -0.900 0.189 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . rr_6nm3 1
. 3 . 511 . 1 1 7 TRP CA C 6.207 -2.341 0.281 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . rr_6nm3 1
. 3 . 512 . 1 1 7 TRP CB C 5.674 -2.749 -1.089 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . rr_6nm3 1
. 3 . 513 . 1 1 7 TRP CD1 C 3.259 -2.124 -1.099 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . rr_6nm3 1
. 3 . 514 . 1 1 7 TRP CD2 C 4.547 -0.605 -2.122 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . rr_6nm3 1
. 3 . 515 . 1 1 7 TRP CE2 C 3.227 -0.121 -2.190 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . rr_6nm3 1
. 3 . 516 . 1 1 7 TRP CE3 C 5.569 0.165 -2.694 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . rr_6nm3 1
. 3 . 517 . 1 1 7 TRP CG C 4.535 -1.874 -1.423 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . rr_6nm3 1
. 3 . 518 . 1 1 7 TRP CH2 C 3.956 1.848 -3.375 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . rr_6nm3 1
. 3 . 519 . 1 1 7 TRP CZ2 C 2.925 1.093 -2.808 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . rr_6nm3 1
. 3 . 520 . 1 1 7 TRP CZ3 C 5.276 1.386 -3.317 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . rr_6nm3 1
. 3 . 521 . 1 1 7 TRP H H 4.332 -2.990 1.059 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . rr_6nm3 1
. 3 . 522 . 1 1 7 TRP HA H 7.042 -2.981 0.519 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . rr_6nm3 1
. 3 . 523 . 1 1 7 TRP HB2 H 6.441 -2.624 -1.830 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . rr_6nm3 1
. 3 . 524 . 1 1 7 TRP HB3 H 5.353 -3.775 -1.068 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . rr_6nm3 1
. 3 . 525 . 1 1 7 TRP HD1 H 2.905 -2.988 -0.568 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . rr_6nm3 1
. 3 . 526 . 1 1 7 TRP HE1 H 1.521 -1.021 -1.410 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . rr_6nm3 1
. 3 . 527 . 1 1 7 TRP HE3 H 6.585 -0.180 -2.644 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . rr_6nm3 1
. 3 . 528 . 1 1 7 TRP HH2 H 3.738 2.790 -3.849 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . rr_6nm3 1
. 3 . 529 . 1 1 7 TRP HZ2 H 1.905 1.445 -2.849 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . rr_6nm3 1
. 3 . 530 . 1 1 7 TRP HZ3 H 6.071 1.971 -3.755 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . rr_6nm3 1
. 3 . 531 . 1 1 7 TRP N N 5.165 -2.538 1.304 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . rr_6nm3 1
. 3 . 532 . 1 1 7 TRP NE1 N 2.481 -1.084 -1.539 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . rr_6nm3 1
. 3 . 533 . 1 1 7 TRP O O 7.542 -0.599 -0.672 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . rr_6nm3 1
. 3 . 534 . 1 1 8 LEU C C 8.013 1.501 1.813 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . rr_6nm3 1
. 3 . 535 . 1 1 8 LEU CA C 6.730 1.372 1.005 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . rr_6nm3 1
. 3 . 536 . 1 1 8 LEU CB C 5.679 2.347 1.556 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . rr_6nm3 1
. 3 . 537 . 1 1 8 LEU CD1 C 3.261 2.698 2.081 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . rr_6nm3 1
. 3 . 538 . 1 1 8 LEU CD2 C 3.911 1.611 -0.066 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . rr_6nm3 1
. 3 . 539 . 1 1 8 LEU CG C 4.273 1.763 1.409 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . rr_6nm3 1
. 3 . 540 . 1 1 8 LEU H H 5.617 -0.282 1.746 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . rr_6nm3 1
. 3 . 541 . 1 1 8 LEU HA H 6.937 1.631 -0.028 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . rr_6nm3 1
. 3 . 542 . 1 1 8 LEU HB2 H 5.877 2.536 2.602 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . rr_6nm3 1
. 3 . 543 . 1 1 8 LEU HB3 H 5.735 3.278 1.010 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . rr_6nm3 1
. 3 . 544 . 1 1 8 LEU HD11 H 3.751 3.612 2.378 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . rr_6nm3 1
. 3 . 545 . 1 1 8 LEU HD12 H 2.853 2.214 2.951 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . rr_6nm3 1
. 3 . 546 . 1 1 8 LEU HD13 H 2.464 2.929 1.387 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . rr_6nm3 1
. 3 . 547 . 1 1 8 LEU HD21 H 4.777 1.299 -0.620 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . rr_6nm3 1
. 3 . 548 . 1 1 8 LEU HD22 H 3.555 2.552 -0.454 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . rr_6nm3 1
. 3 . 549 . 1 1 8 LEU HD23 H 3.136 0.867 -0.158 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . rr_6nm3 1
. 3 . 550 . 1 1 8 LEU HG H 4.239 0.795 1.882 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . rr_6nm3 1
. 3 . 551 . 1 1 8 LEU N N 6.258 -0.011 1.060 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . rr_6nm3 1
. 3 . 552 . 1 1 8 LEU O O 8.865 2.336 1.509 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . rr_6nm3 1
. 3 . 553 . 1 1 9 NH2 HN1 H 7.514 0.049 3.070 . . . 1.0 . . . . . . . . . . . . A . 9 NH2 HN1 . . . . . . . . . rr_6nm3 1
. 3 . 554 . 1 1 9 NH2 HN2 H 9.014 0.778 3.362 . . . 1.0 . . . . . . . . . . . . A . 9 NH2 HN2 . . . . . . . . . rr_6nm3 1
. 3 . 555 . 1 1 9 NH2 N N 8.197 0.712 2.834 . . . 1.0 . . . . . . . . . . . . A . 9 NH2 N . . . . . . . . . rr_6nm3 1
. 4 . 556 . 1 1 1 ARG C C -5.808 -0.596 -0.140 . . . 1.0 . . . . . . . . . . . . A . 1 ARG C . . . . . . . . . rr_6nm3 1
. 4 . 557 . 1 1 1 ARG CA C -6.214 0.866 -0.287 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CA . . . . . . . . . rr_6nm3 1
. 4 . 558 . 1 1 1 ARG CB C -5.981 1.319 -1.731 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CB . . . . . . . . . rr_6nm3 1
. 4 . 559 . 1 1 1 ARG CD C -7.995 2.730 -2.236 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CD . . . . . . . . . rr_6nm3 1
. 4 . 560 . 1 1 1 ARG CG C -6.496 2.753 -1.919 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CG . . . . . . . . . rr_6nm3 1
. 4 . 561 . 1 1 1 ARG CZ C -9.477 1.481 -3.697 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CZ . . . . . . . . . rr_6nm3 1
. 4 . 562 . 1 1 1 ARG H1 H -5.945 1.895 1.503 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H1 . . . . . . . . . rr_6nm3 1
. 4 . 563 . 1 1 1 ARG H2 H -5.171 2.609 0.171 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H2 . . . . . . . . . rr_6nm3 1
. 4 . 564 . 1 1 1 ARG H3 H -4.524 1.207 0.881 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H3 . . . . . . . . . rr_6nm3 1
. 4 . 565 . 1 1 1 ARG HA H -7.259 0.973 -0.042 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HA . . . . . . . . . rr_6nm3 1
. 4 . 566 . 1 1 1 ARG HB2 H -4.924 1.284 -1.952 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB2 . . . . . . . . . rr_6nm3 1
. 4 . 567 . 1 1 1 ARG HB3 H -6.507 0.656 -2.402 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB3 . . . . . . . . . rr_6nm3 1
. 4 . 568 . 1 1 1 ARG HD2 H -8.534 2.323 -1.394 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD2 . . . . . . . . . rr_6nm3 1
. 4 . 569 . 1 1 1 ARG HD3 H -8.334 3.738 -2.422 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD3 . . . . . . . . . rr_6nm3 1
. 4 . 570 . 1 1 1 ARG HE H -7.510 1.677 -4.010 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HE . . . . . . . . . rr_6nm3 1
. 4 . 571 . 1 1 1 ARG HG2 H -6.329 3.317 -1.013 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG2 . . . . . . . . . rr_6nm3 1
. 4 . 572 . 1 1 1 ARG HG3 H -5.966 3.220 -2.735 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG3 . . . . . . . . . rr_6nm3 1
. 4 . 573 . 1 1 1 ARG HH11 H -8.919 0.515 -5.360 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH11 . . . . . . . . . rr_6nm3 1
. 4 . 574 . 1 1 1 ARG HH12 H -10.605 0.425 -4.971 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH12 . . . . . . . . . rr_6nm3 1
. 4 . 575 . 1 1 1 ARG HH21 H -10.316 2.347 -2.100 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH21 . . . . . . . . . rr_6nm3 1
. 4 . 576 . 1 1 1 ARG HH22 H -11.396 1.462 -3.125 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH22 . . . . . . . . . rr_6nm3 1
. 4 . 577 . 1 1 1 ARG N N -5.402 1.708 0.637 . . . 1.0 . . . . . . . . . . . . A . 1 ARG N . . . . . . . . . rr_6nm3 1
. 4 . 578 . 1 1 1 ARG NE N -8.252 1.912 -3.415 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NE . . . . . . . . . rr_6nm3 1
. 4 . 579 . 1 1 1 ARG NH1 N -9.683 0.750 -4.759 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH1 . . . . . . . . . rr_6nm3 1
. 4 . 580 . 1 1 1 ARG NH2 N -10.474 1.787 -2.913 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH2 . . . . . . . . . rr_6nm3 1
. 4 . 581 . 1 1 1 ARG O O -6.662 -1.479 -0.089 . . . 1.0 . . . . . . . . . . . . A . 1 ARG O . . . . . . . . . rr_6nm3 1
. 4 . 582 . 1 1 2 LYS C C -2.501 -2.278 -0.214 . . . 1.0 . . . . . . . . . . . . A . 2 LYS C . . . . . . . . . rr_6nm3 1
. 4 . 583 . 1 1 2 LYS CA C -3.998 -2.213 0.052 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CA . . . . . . . . . rr_6nm3 1
. 4 . 584 . 1 1 2 LYS CB C -4.728 -3.123 -0.947 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CB . . . . . . . . . rr_6nm3 1
. 4 . 585 . 1 1 2 LYS CD C -4.627 -3.111 -3.480 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CD . . . . . . . . . rr_6nm3 1
. 4 . 586 . 1 1 2 LYS CE C -5.798 -3.959 -3.981 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CE . . . . . . . . . rr_6nm3 1
. 4 . 587 . 1 1 2 LYS CG C -5.052 -2.325 -2.231 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CG . . . . . . . . . rr_6nm3 1
. 4 . 588 . 1 1 2 LYS H H -3.862 -0.102 -0.130 . . . 1.0 . . . . . . . . . . . . A . 2 LYS H . . . . . . . . . rr_6nm3 1
. 4 . 589 . 1 1 2 LYS HA H -4.182 -2.566 1.045 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HA . . . . . . . . . rr_6nm3 1
. 4 . 590 . 1 1 2 LYS HB2 H -4.103 -3.971 -1.184 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB2 . . . . . . . . . rr_6nm3 1
. 4 . 591 . 1 1 2 LYS HB3 H -5.649 -3.474 -0.503 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB3 . . . . . . . . . rr_6nm3 1
. 4 . 592 . 1 1 2 LYS HD2 H -4.333 -2.415 -4.252 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD2 . . . . . . . . . rr_6nm3 1
. 4 . 593 . 1 1 2 LYS HD3 H -3.792 -3.752 -3.242 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD3 . . . . . . . . . rr_6nm3 1
. 4 . 594 . 1 1 2 LYS HE2 H -6.378 -4.306 -3.139 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE2 . . . . . . . . . rr_6nm3 1
. 4 . 595 . 1 1 2 LYS HE3 H -6.423 -3.358 -4.626 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE3 . . . . . . . . . rr_6nm3 1
. 4 . 596 . 1 1 2 LYS HG2 H -6.114 -2.132 -2.275 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG2 . . . . . . . . . rr_6nm3 1
. 4 . 597 . 1 1 2 LYS HG3 H -4.523 -1.382 -2.217 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG3 . . . . . . . . . rr_6nm3 1
. 4 . 598 . 1 1 2 LYS HZ1 H -5.151 -5.935 -4.098 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ1 . . . . . . . . . rr_6nm3 1
. 4 . 599 . 1 1 2 LYS HZ2 H -4.361 -4.882 -5.171 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ2 . . . . . . . . . rr_6nm3 1
. 4 . 600 . 1 1 2 LYS HZ3 H -5.951 -5.386 -5.489 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ3 . . . . . . . . . rr_6nm3 1
. 4 . 601 . 1 1 2 LYS N N -4.498 -0.846 -0.079 . . . 1.0 . . . . . . . . . . . . A . 2 LYS N . . . . . . . . . rr_6nm3 1
. 4 . 602 . 1 1 2 LYS NZ N -5.276 -5.129 -4.742 . . . 1.0 . . . . . . . . . . . . A . 2 LYS NZ . . . . . . . . . rr_6nm3 1
. 4 . 603 . 1 1 2 LYS O O -1.825 -3.215 0.209 . . . 1.0 . . . . . . . . . . . . A . 2 LYS O . . . . . . . . . rr_6nm3 1
. 4 . 604 . 1 1 3 ILE C C 0.090 0.034 -0.829 . . . 1.0 . . . . . . . . . . . . A . 3 ILE C . . . . . . . . . rr_6nm3 1
. 4 . 605 . 1 1 3 ILE CA C -0.588 -1.254 -1.298 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CA . . . . . . . . . rr_6nm3 1
. 4 . 606 . 1 1 3 ILE CB C -0.474 -1.419 -2.809 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CB . . . . . . . . . rr_6nm3 1
. 4 . 607 . 1 1 3 ILE CD1 C -1.195 -0.189 -4.888 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CD1 . . . . . . . . . rr_6nm3 1
. 4 . 608 . 1 1 3 ILE CG1 C -0.558 -0.047 -3.503 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG1 . . . . . . . . . rr_6nm3 1
. 4 . 609 . 1 1 3 ILE CG2 C -1.626 -2.305 -3.275 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG2 . . . . . . . . . rr_6nm3 1
. 4 . 610 . 1 1 3 ILE H H -2.596 -0.589 -1.268 . . . 1.0 . . . . . . . . . . . . A . 3 ILE H . . . . . . . . . rr_6nm3 1
. 4 . 611 . 1 1 3 ILE HA H -0.089 -2.088 -0.828 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HA . . . . . . . . . rr_6nm3 1
. 4 . 612 . 1 1 3 ILE HB H 0.459 -1.897 -3.042 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HB . . . . . . . . . rr_6nm3 1
. 4 . 613 . 1 1 3 ILE HD11 H -0.790 -1.058 -5.385 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD11 . . . . . . . . . rr_6nm3 1
. 4 . 614 . 1 1 3 ILE HD12 H -0.983 0.694 -5.473 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD12 . . . . . . . . . rr_6nm3 1
. 4 . 615 . 1 1 3 ILE HD13 H -2.265 -0.299 -4.782 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD13 . . . . . . . . . rr_6nm3 1
. 4 . 616 . 1 1 3 ILE HG12 H -1.160 0.618 -2.906 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG12 . . . . . . . . . rr_6nm3 1
. 4 . 617 . 1 1 3 ILE HG13 H 0.434 0.364 -3.610 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG13 . . . . . . . . . rr_6nm3 1
. 4 . 618 . 1 1 3 ILE HG21 H -1.426 -2.671 -4.269 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG21 . . . . . . . . . rr_6nm3 1
. 4 . 619 . 1 1 3 ILE HG22 H -2.533 -1.724 -3.278 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG22 . . . . . . . . . rr_6nm3 1
. 4 . 620 . 1 1 3 ILE HG23 H -1.735 -3.138 -2.596 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG23 . . . . . . . . . rr_6nm3 1
. 4 . 621 . 1 1 3 ILE N N -2.001 -1.294 -0.942 . . . 1.0 . . . . . . . . . . . . A . 3 ILE N . . . . . . . . . rr_6nm3 1
. 4 . 622 . 1 1 3 ILE O O 1.069 0.471 -1.419 . . . 1.0 . . . . . . . . . . . . A . 3 ILE O . . . . . . . . . rr_6nm3 1
. 4 . 623 . 1 1 4 TRP C C 0.619 1.792 2.100 . . . 1.0 . . . . . . . . . . . . A . 4 TRP C . . . . . . . . . rr_6nm3 1
. 4 . 624 . 1 1 4 TRP CA C 0.124 1.922 0.677 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CA . . . . . . . . . rr_6nm3 1
. 4 . 625 . 1 1 4 TRP CB C -0.925 3.017 0.553 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CB . . . . . . . . . rr_6nm3 1
. 4 . 626 . 1 1 4 TRP CD1 C -2.644 2.347 -1.162 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD1 . . . . . . . . . rr_6nm3 1
. 4 . 627 . 1 1 4 TRP CD2 C -0.835 3.323 -2.068 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD2 . . . . . . . . . rr_6nm3 1
. 4 . 628 . 1 1 4 TRP CE2 C -1.686 2.982 -3.139 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE2 . . . . . . . . . rr_6nm3 1
. 4 . 629 . 1 1 4 TRP CE3 C 0.386 3.958 -2.362 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE3 . . . . . . . . . rr_6nm3 1
. 4 . 630 . 1 1 4 TRP CG C -1.465 2.912 -0.827 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CG . . . . . . . . . rr_6nm3 1
. 4 . 631 . 1 1 4 TRP CH2 C -0.123 3.884 -4.738 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CH2 . . . . . . . . . rr_6nm3 1
. 4 . 632 . 1 1 4 TRP CZ2 C -1.338 3.253 -4.458 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ2 . . . . . . . . . rr_6nm3 1
. 4 . 633 . 1 1 4 TRP CZ3 C 0.738 4.238 -3.690 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ3 . . . . . . . . . rr_6nm3 1
. 4 . 634 . 1 1 4 TRP H H -1.252 0.303 0.622 . . . 1.0 . . . . . . . . . . . . A . 4 TRP H . . . . . . . . . rr_6nm3 1
. 4 . 635 . 1 1 4 TRP HA H 0.960 2.178 0.050 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HA . . . . . . . . . rr_6nm3 1
. 4 . 636 . 1 1 4 TRP HB2 H -1.712 2.859 1.279 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB2 . . . . . . . . . rr_6nm3 1
. 4 . 637 . 1 1 4 TRP HB3 H -0.471 3.985 0.697 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB3 . . . . . . . . . rr_6nm3 1
. 4 . 638 . 1 1 4 TRP HD1 H -3.357 1.931 -0.468 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HD1 . . . . . . . . . rr_6nm3 1
. 4 . 639 . 1 1 4 TRP HE1 H -3.545 2.032 -3.040 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE1 . . . . . . . . . rr_6nm3 1
. 4 . 640 . 1 1 4 TRP HE3 H 1.054 4.235 -1.560 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE3 . . . . . . . . . rr_6nm3 1
. 4 . 641 . 1 1 4 TRP HH2 H 0.152 4.101 -5.760 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HH2 . . . . . . . . . rr_6nm3 1
. 4 . 642 . 1 1 4 TRP HZ2 H -1.996 2.971 -5.257 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ2 . . . . . . . . . rr_6nm3 1
. 4 . 643 . 1 1 4 TRP HZ3 H 1.677 4.725 -3.906 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ3 . . . . . . . . . rr_6nm3 1
. 4 . 644 . 1 1 4 TRP N N -0.447 0.666 0.196 . . . 1.0 . . . . . . . . . . . . A . 4 TRP N . . . . . . . . . rr_6nm3 1
. 4 . 645 . 1 1 4 TRP NE1 N -2.778 2.382 -2.537 . . . 1.0 . . . . . . . . . . . . A . 4 TRP NE1 . . . . . . . . . rr_6nm3 1
. 4 . 646 . 1 1 4 TRP O O 0.537 2.738 2.884 . . . 1.0 . . . . . . . . . . . . A . 4 TRP O . . . . . . . . . rr_6nm3 1
. 4 . 647 . 1 1 5 TRP C C 2.831 -0.470 3.904 . . . 1.0 . . . . . . . . . . . . A . 5 TRP C . . . . . . . . . rr_6nm3 1
. 4 . 648 . 1 1 5 TRP CA C 1.553 0.367 3.807 . . . 1.0 . . . . . . . . . . . . A . 5 TRP CA . . . . . . . . . rr_6nm3 1
. 4 . 649 . 1 1 5 TRP CB C 0.454 -0.391 4.544 . . . 1.0 . . . . . . . . . . . . A . 5 TRP CB . . . . . . . . . rr_6nm3 1
. 4 . 650 . 1 1 5 TRP CD1 C -0.848 -1.005 2.470 . . . 1.0 . . . . . . . . . . . . A . 5 TRP CD1 . . . . . . . . . rr_6nm3 1
. 4 . 651 . 1 1 5 TRP CD2 C -2.111 0.058 3.995 . . . 1.0 . . . . . . . . . . . . A . 5 TRP CD2 . . . . . . . . . rr_6nm3 1
. 4 . 652 . 1 1 5 TRP CE2 C -2.948 -0.241 2.898 . . . 1.0 . . . . . . . . . . . . A . 5 TRP CE2 . . . . . . . . . rr_6nm3 1
. 4 . 653 . 1 1 5 TRP CE3 C -2.672 0.734 5.092 . . . 1.0 . . . . . . . . . . . . A . 5 TRP CE3 . . . . . . . . . rr_6nm3 1
. 4 . 654 . 1 1 5 TRP CG C -0.777 -0.446 3.701 . . . 1.0 . . . . . . . . . . . . A . 5 TRP CG . . . . . . . . . rr_6nm3 1
. 4 . 655 . 1 1 5 TRP CH2 C -4.838 0.784 3.981 . . . 1.0 . . . . . . . . . . . . A . 5 TRP CH2 . . . . . . . . . rr_6nm3 1
. 4 . 656 . 1 1 5 TRP CZ2 C -4.290 0.113 2.885 . . . 1.0 . . . . . . . . . . . . A . 5 TRP CZ2 . . . . . . . . . rr_6nm3 1
. 4 . 657 . 1 1 5 TRP CZ3 C -4.030 1.096 5.084 . . . 1.0 . . . . . . . . . . . . A . 5 TRP CZ3 . . . . . . . . . rr_6nm3 1
. 4 . 658 . 1 1 5 TRP H H 1.113 -0.127 1.796 . . . 1.0 . . . . . . . . . . . . A . 5 TRP H . . . . . . . . . rr_6nm3 1
. 4 . 659 . 1 1 5 TRP HA H 1.708 1.307 4.301 . . . 1.0 . . . . . . . . . . . . A . 5 TRP HA . . . . . . . . . rr_6nm3 1
. 4 . 660 . 1 1 5 TRP HB2 H 0.788 -1.397 4.725 . . . 1.0 . . . . . . . . . . . . A . 5 TRP HB2 . . . . . . . . . rr_6nm3 1
. 4 . 661 . 1 1 5 TRP HB3 H 0.235 0.093 5.479 . . . 1.0 . . . . . . . . . . . . A . 5 TRP HB3 . . . . . . . . . rr_6nm3 1
. 4 . 662 . 1 1 5 TRP HD1 H -0.035 -1.468 1.937 . . . 1.0 . . . . . . . . . . . . A . 5 TRP HD1 . . . . . . . . . rr_6nm3 1
. 4 . 663 . 1 1 5 TRP HE1 H -2.435 -1.224 1.144 . . . 1.0 . . . . . . . . . . . . A . 5 TRP HE1 . . . . . . . . . rr_6nm3 1
. 4 . 664 . 1 1 5 TRP HE3 H -2.056 0.978 5.943 . . . 1.0 . . . . . . . . . . . . A . 5 TRP HE3 . . . . . . . . . rr_6nm3 1
. 4 . 665 . 1 1 5 TRP HH2 H -5.882 1.064 3.979 . . . 1.0 . . . . . . . . . . . . A . 5 TRP HH2 . . . . . . . . . rr_6nm3 1
. 4 . 666 . 1 1 5 TRP HZ2 H -4.902 -0.131 2.031 . . . 1.0 . . . . . . . . . . . . A . 5 TRP HZ2 . . . . . . . . . rr_6nm3 1
. 4 . 667 . 1 1 5 TRP HZ3 H -4.452 1.615 5.931 . . . 1.0 . . . . . . . . . . . . A . 5 TRP HZ3 . . . . . . . . . rr_6nm3 1
. 4 . 668 . 1 1 5 TRP N N 1.097 0.603 2.448 . . . 1.0 . . . . . . . . . . . . A . 5 TRP N . . . . . . . . . rr_6nm3 1
. 4 . 669 . 1 1 5 TRP NE1 N -2.128 -0.891 2.003 . . . 1.0 . . . . . . . . . . . . A . 5 TRP NE1 . . . . . . . . . rr_6nm3 1
. 4 . 670 . 1 1 5 TRP O O 3.821 -0.054 4.506 . . . 1.0 . . . . . . . . . . . . A . 5 TRP O . . . . . . . . . rr_6nm3 1
. 4 . 671 . 1 1 6 TRP C C 5.014 -2.473 2.556 . . . 1.0 . . . . . . . . . . . . A . 6 TRP C . . . . . . . . . rr_6nm3 1
. 4 . 672 . 1 1 6 TRP CA C 3.832 -2.660 3.530 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CA . . . . . . . . . rr_6nm3 1
. 4 . 673 . 1 1 6 TRP CB C 3.241 -4.071 3.371 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CB . . . . . . . . . rr_6nm3 1
. 4 . 674 . 1 1 6 TRP CD1 C 0.874 -3.629 2.647 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD1 . . . . . . . . . rr_6nm3 1
. 4 . 675 . 1 1 6 TRP CD2 C 2.122 -4.531 1.019 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD2 . . . . . . . . . rr_6nm3 1
. 4 . 676 . 1 1 6 TRP CE2 C 0.834 -4.333 0.475 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE2 . . . . . . . . . rr_6nm3 1
. 4 . 677 . 1 1 6 TRP CE3 C 3.108 -5.094 0.197 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE3 . . . . . . . . . rr_6nm3 1
. 4 . 678 . 1 1 6 TRP CG C 2.122 -4.062 2.393 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CG . . . . . . . . . rr_6nm3 1
. 4 . 679 . 1 1 6 TRP CH2 C 1.524 -5.251 -1.646 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CH2 . . . . . . . . . rr_6nm3 1
. 4 . 680 . 1 1 6 TRP CZ2 C 0.532 -4.686 -0.840 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ2 . . . . . . . . . rr_6nm3 1
. 4 . 681 . 1 1 6 TRP CZ3 C 2.811 -5.453 -1.128 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ3 . . . . . . . . . rr_6nm3 1
. 4 . 682 . 1 1 6 TRP H H 1.889 -1.977 3.017 . . . 1.0 . . . . . . . . . . . . A . 6 TRP H . . . . . . . . . rr_6nm3 1
. 4 . 683 . 1 1 6 TRP HA H 4.223 -2.586 4.531 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HA . . . . . . . . . rr_6nm3 1
. 4 . 684 . 1 1 6 TRP HB2 H 3.993 -4.744 3.016 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HB2 . . . . . . . . . rr_6nm3 1
. 4 . 685 . 1 1 6 TRP HB3 H 2.869 -4.413 4.325 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HB3 . . . . . . . . . rr_6nm3 1
. 4 . 686 . 1 1 6 TRP HD1 H 0.530 -3.217 3.582 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HD1 . . . . . . . . . rr_6nm3 1
. 4 . 687 . 1 1 6 TRP HE1 H -0.819 -3.512 1.421 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE1 . . . . . . . . . rr_6nm3 1
. 4 . 688 . 1 1 6 TRP HE3 H 4.104 -5.242 0.584 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE3 . . . . . . . . . rr_6nm3 1
. 4 . 689 . 1 1 6 TRP HH2 H 1.300 -5.529 -2.665 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HH2 . . . . . . . . . rr_6nm3 1
. 4 . 690 . 1 1 6 TRP HZ2 H -0.461 -4.527 -1.232 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ2 . . . . . . . . . rr_6nm3 1
. 4 . 691 . 1 1 6 TRP HZ3 H 3.578 -5.891 -1.751 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ3 . . . . . . . . . rr_6nm3 1
. 4 . 692 . 1 1 6 TRP N N 2.741 -1.692 3.404 . . . 1.0 . . . . . . . . . . . . A . 6 TRP N . . . . . . . . . rr_6nm3 1
. 4 . 693 . 1 1 6 TRP NE1 N 0.114 -3.770 1.505 . . . 1.0 . . . . . . . . . . . . A . 6 TRP NE1 . . . . . . . . . rr_6nm3 1
. 4 . 694 . 1 1 6 TRP O O 6.123 -2.160 2.989 . . . 1.0 . . . . . . . . . . . . A . 6 TRP O . . . . . . . . . rr_6nm3 1
. 4 . 695 . 1 1 7 TRP C C 6.556 -1.266 0.210 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . rr_6nm3 1
. 4 . 696 . 1 1 7 TRP CA C 5.894 -2.644 0.286 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . rr_6nm3 1
. 4 . 697 . 1 1 7 TRP CB C 5.365 -2.986 -1.099 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . rr_6nm3 1
. 4 . 698 . 1 1 7 TRP CD1 C 3.072 -2.009 -1.121 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . rr_6nm3 1
. 4 . 699 . 1 1 7 TRP CD2 C 4.563 -0.740 -2.205 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . rr_6nm3 1
. 4 . 700 . 1 1 7 TRP CE2 C 3.332 -0.069 -2.290 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . rr_6nm3 1
. 4 . 701 . 1 1 7 TRP CE3 C 5.684 -0.155 -2.807 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . rr_6nm3 1
. 4 . 702 . 1 1 7 TRP CG C 4.366 -1.967 -1.462 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . rr_6nm3 1
. 4 . 703 . 1 1 7 TRP CH2 C 4.337 1.723 -3.555 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . rr_6nm3 1
. 4 . 704 . 1 1 7 TRP CZ2 C 3.209 1.153 -2.957 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . rr_6nm3 1
. 4 . 705 . 1 1 7 TRP CZ3 C 5.573 1.072 -3.478 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . rr_6nm3 1
. 4 . 706 . 1 1 7 TRP H H 3.913 -3.019 0.978 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . rr_6nm3 1
. 4 . 707 . 1 1 7 TRP HA H 6.646 -3.372 0.548 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . rr_6nm3 1
. 4 . 708 . 1 1 7 TRP HB2 H 6.168 -2.961 -1.813 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . rr_6nm3 1
. 4 . 709 . 1 1 7 TRP HB3 H 4.911 -3.961 -1.095 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . rr_6nm3 1
. 4 . 710 . 1 1 7 TRP HD1 H 2.598 -2.785 -0.555 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . rr_6nm3 1
. 4 . 711 . 1 1 7 TRP HE1 H 1.518 -0.677 -1.463 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . rr_6nm3 1
. 4 . 712 . 1 1 7 TRP HE3 H 6.638 -0.647 -2.741 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . rr_6nm3 1
. 4 . 713 . 1 1 7 TRP HH2 H 4.257 2.667 -4.068 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . rr_6nm3 1
. 4 . 714 . 1 1 7 TRP HZ2 H 2.254 1.652 -3.013 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . rr_6nm3 1
. 4 . 715 . 1 1 7 TRP HZ3 H 6.444 1.512 -3.941 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . rr_6nm3 1
. 4 . 716 . 1 1 7 TRP N N 4.801 -2.725 1.270 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . rr_6nm3 1
. 4 . 717 . 1 1 7 TRP NE1 N 2.456 -0.885 -1.595 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . rr_6nm3 1
. 4 . 718 . 1 1 7 TRP O O 7.459 -1.067 -0.602 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . rr_6nm3 1
. 4 . 719 . 1 1 8 LEU C C 8.033 0.989 1.805 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . rr_6nm3 1
. 4 . 720 . 1 1 8 LEU CA C 6.754 1.006 0.987 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . rr_6nm3 1
. 4 . 721 . 1 1 8 LEU CB C 5.817 2.088 1.539 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . rr_6nm3 1
. 4 . 722 . 1 1 8 LEU CD1 C 3.451 2.731 1.994 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . rr_6nm3 1
. 4 . 723 . 1 1 8 LEU CD2 C 4.076 1.822 -0.244 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . rr_6nm3 1
. 4 . 724 . 1 1 8 LEU CG C 4.358 1.738 1.254 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . rr_6nm3 1
. 4 . 725 . 1 1 8 LEU H H 5.427 -0.502 1.680 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . rr_6nm3 1
. 4 . 726 . 1 1 8 LEU HA H 6.996 1.245 -0.042 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . rr_6nm3 1
. 4 . 727 . 1 1 8 LEU HB2 H 5.958 2.173 2.607 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . rr_6nm3 1
. 4 . 728 . 1 1 8 LEU HB3 H 6.053 3.034 1.075 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . rr_6nm3 1
. 4 . 729 . 1 1 8 LEU HD11 H 3.045 2.258 2.870 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . rr_6nm3 1
. 4 . 730 . 1 1 8 LEU HD12 H 2.647 3.044 1.346 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . rr_6nm3 1
. 4 . 731 . 1 1 8 LEU HD13 H 4.026 3.597 2.289 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . rr_6nm3 1
. 4 . 732 . 1 1 8 LEU HD21 H 4.820 1.260 -0.782 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . rr_6nm3 1
. 4 . 733 . 1 1 8 LEU HD22 H 4.100 2.852 -0.562 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . rr_6nm3 1
. 4 . 734 . 1 1 8 LEU HD23 H 3.098 1.408 -0.440 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . rr_6nm3 1
. 4 . 735 . 1 1 8 LEU HG H 4.156 0.735 1.597 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . rr_6nm3 1
. 4 . 736 . 1 1 8 LEU N N 6.136 -0.316 1.035 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . rr_6nm3 1
. 4 . 737 . 1 1 8 LEU O O 8.966 1.743 1.530 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . rr_6nm3 1
. 4 . 738 . 1 1 9 NH2 HN1 H 7.375 -0.436 3.016 . . . 1.0 . . . . . . . . . . . . A . 9 NH2 HN1 . . . . . . . . . rr_6nm3 1
. 4 . 739 . 1 1 9 NH2 HN2 H 8.934 0.131 3.341 . . . 1.0 . . . . . . . . . . . . A . 9 NH2 HN2 . . . . . . . . . rr_6nm3 1
. 4 . 740 . 1 1 9 NH2 N N 8.124 0.160 2.804 . . . 1.0 . . . . . . . . . . . . A . 9 NH2 N . . . . . . . . . rr_6nm3 1
. 5 . 741 . 1 1 1 ARG C C -5.820 -0.267 -0.492 . . . 1.0 . . . . . . . . . . . . A . 1 ARG C . . . . . . . . . rr_6nm3 1
. 5 . 742 . 1 1 1 ARG CA C -6.067 1.237 -0.594 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CA . . . . . . . . . rr_6nm3 1
. 5 . 743 . 1 1 1 ARG CB C -6.251 1.841 0.804 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CB . . . . . . . . . rr_6nm3 1
. 5 . 744 . 1 1 1 ARG CD C -8.558 2.849 0.773 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CD . . . . . . . . . rr_6nm3 1
. 5 . 745 . 1 1 1 ARG CG C -7.053 3.147 0.704 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CG . . . . . . . . . rr_6nm3 1
. 5 . 746 . 1 1 1 ARG CZ C -10.558 3.573 -0.398 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CZ . . . . . . . . . rr_6nm3 1
. 5 . 747 . 1 1 1 ARG H1 H -7.982 0.716 -1.223 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H1 . . . . . . . . . rr_6nm3 1
. 5 . 748 . 1 1 1 ARG H2 H -7.047 1.487 -2.413 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H2 . . . . . . . . . rr_6nm3 1
. 5 . 749 . 1 1 1 ARG H3 H -7.714 2.388 -1.138 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H3 . . . . . . . . . rr_6nm3 1
. 5 . 750 . 1 1 1 ARG HA H -5.226 1.704 -1.081 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HA . . . . . . . . . rr_6nm3 1
. 5 . 751 . 1 1 1 ARG HB2 H -6.780 1.140 1.435 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB2 . . . . . . . . . rr_6nm3 1
. 5 . 752 . 1 1 1 ARG HB3 H -5.284 2.051 1.234 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB3 . . . . . . . . . rr_6nm3 1
. 5 . 753 . 1 1 1 ARG HD2 H -8.747 1.848 0.413 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD2 . . . . . . . . . rr_6nm3 1
. 5 . 754 . 1 1 1 ARG HD3 H -8.892 2.927 1.798 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD3 . . . . . . . . . rr_6nm3 1
. 5 . 755 . 1 1 1 ARG HE H -8.855 4.624 -0.346 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HE . . . . . . . . . rr_6nm3 1
. 5 . 756 . 1 1 1 ARG HG2 H -6.779 3.798 1.522 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG2 . . . . . . . . . rr_6nm3 1
. 5 . 757 . 1 1 1 ARG HG3 H -6.829 3.638 -0.232 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG3 . . . . . . . . . rr_6nm3 1
. 5 . 758 . 1 1 1 ARG HH11 H -10.738 5.276 -1.436 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH11 . . . . . . . . . rr_6nm3 1
. 5 . 759 . 1 1 1 ARG HH12 H -12.147 4.269 -1.400 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH12 . . . . . . . . . rr_6nm3 1
. 5 . 760 . 1 1 1 ARG HH21 H -10.670 1.818 0.560 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH21 . . . . . . . . . rr_6nm3 1
. 5 . 761 . 1 1 1 ARG HH22 H -12.108 2.311 -0.270 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH22 . . . . . . . . . rr_6nm3 1
. 5 . 762 . 1 1 1 ARG N N -7.295 1.475 -1.403 . . . 1.0 . . . . . . . . . . . . A . 1 ARG N . . . . . . . . . rr_6nm3 1
. 5 . 763 . 1 1 1 ARG NE N -9.297 3.801 -0.048 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NE . . . . . . . . . rr_6nm3 1
. 5 . 764 . 1 1 1 ARG NH1 N -11.197 4.441 -1.136 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH1 . . . . . . . . . rr_6nm3 1
. 5 . 765 . 1 1 1 ARG NH2 N -11.158 2.482 -0.006 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH2 . . . . . . . . . rr_6nm3 1
. 5 . 766 . 1 1 1 ARG O O -6.759 -1.058 -0.566 . . . 1.0 . . . . . . . . . . . . A . 1 ARG O . . . . . . . . . rr_6nm3 1
. 5 . 767 . 1 1 2 LYS C C -2.717 -2.307 -0.292 . . . 1.0 . . . . . . . . . . . . A . 2 LYS C . . . . . . . . . rr_6nm3 1
. 5 . 768 . 1 1 2 LYS CA C -4.218 -2.077 -0.222 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CA . . . . . . . . . rr_6nm3 1
. 5 . 769 . 1 1 2 LYS CB C -4.904 -2.851 -1.357 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CB . . . . . . . . . rr_6nm3 1
. 5 . 770 . 1 1 2 LYS CD C -4.366 -2.747 -3.831 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CD . . . . . . . . . rr_6nm3 1
. 5 . 771 . 1 1 2 LYS CE C -5.471 -3.563 -4.505 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CE . . . . . . . . . rr_6nm3 1
. 5 . 772 . 1 1 2 LYS CG C -4.944 -1.980 -2.632 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CG . . . . . . . . . rr_6nm3 1
. 5 . 773 . 1 1 2 LYS H H -3.841 0.014 -0.275 . . . 1.0 . . . . . . . . . . . . A . 2 LYS H . . . . . . . . . rr_6nm3 1
. 5 . 774 . 1 1 2 LYS HA H -4.569 -2.454 0.715 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HA . . . . . . . . . rr_6nm3 1
. 5 . 775 . 1 1 2 LYS HB2 H -4.357 -3.763 -1.549 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB2 . . . . . . . . . rr_6nm3 1
. 5 . 776 . 1 1 2 LYS HB3 H -5.912 -3.102 -1.063 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB3 . . . . . . . . . rr_6nm3 1
. 5 . 777 . 1 1 2 LYS HD2 H -3.959 -2.040 -4.541 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD2 . . . . . . . . . rr_6nm3 1
. 5 . 778 . 1 1 2 LYS HD3 H -3.581 -3.408 -3.498 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD3 . . . . . . . . . rr_6nm3 1
. 5 . 779 . 1 1 2 LYS HE2 H -6.142 -3.953 -3.754 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE2 . . . . . . . . . rr_6nm3 1
. 5 . 780 . 1 1 2 LYS HE3 H -6.021 -2.928 -5.185 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE3 . . . . . . . . . rr_6nm3 1
. 5 . 781 . 1 1 2 LYS HG2 H -5.967 -1.703 -2.845 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG2 . . . . . . . . . rr_6nm3 1
. 5 . 782 . 1 1 2 LYS HG3 H -4.362 -1.082 -2.478 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG3 . . . . . . . . . rr_6nm3 1
. 5 . 783 . 1 1 2 LYS HZ1 H -4.631 -4.380 -6.227 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ1 . . . . . . . . . rr_6nm3 1
. 5 . 784 . 1 1 2 LYS HZ2 H -5.538 -5.483 -5.307 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ2 . . . . . . . . . rr_6nm3 1
. 5 . 785 . 1 1 2 LYS HZ3 H -3.994 -5.004 -4.784 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ3 . . . . . . . . . rr_6nm3 1
. 5 . 786 . 1 1 2 LYS N N -4.554 -0.657 -0.325 . . . 1.0 . . . . . . . . . . . . A . 2 LYS N . . . . . . . . . rr_6nm3 1
. 5 . 787 . 1 1 2 LYS NZ N -4.862 -4.693 -5.262 . . . 1.0 . . . . . . . . . . . . A . 2 LYS NZ . . . . . . . . . rr_6nm3 1
. 5 . 788 . 1 1 2 LYS O O -2.235 -3.389 0.041 . . . 1.0 . . . . . . . . . . . . A . 2 LYS O . . . . . . . . . rr_6nm3 1
. 5 . 789 . 1 1 3 ILE C C 0.233 -0.362 -0.115 . . . 1.0 . . . . . . . . . . . . A . 3 ILE C . . . . . . . . . rr_6nm3 1
. 5 . 790 . 1 1 3 ILE CA C -0.542 -1.436 -0.891 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CA . . . . . . . . . rr_6nm3 1
. 5 . 791 . 1 1 3 ILE CB C -0.220 -1.359 -2.375 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CB . . . . . . . . . rr_6nm3 1
. 5 . 792 . 1 1 3 ILE CD1 C -0.277 0.174 -4.361 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CD1 . . . . . . . . . rr_6nm3 1
. 5 . 793 . 1 1 3 ILE CG1 C -0.230 0.107 -2.834 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG1 . . . . . . . . . rr_6nm3 1
. 5 . 794 . 1 1 3 ILE CG2 C -1.286 -2.135 -3.150 . . . 1.0 . . . . . . . . . . . . A . 3 ILE CG2 . . . . . . . . . rr_6nm3 1
. 5 . 795 . 1 1 3 ILE H H -2.424 -0.472 -1.025 . . . 1.0 . . . . . . . . . . . . A . 3 ILE H . . . . . . . . . rr_6nm3 1
. 5 . 796 . 1 1 3 ILE HA H -0.241 -2.403 -0.531 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HA . . . . . . . . . rr_6nm3 1
. 5 . 797 . 1 1 3 ILE HB H 0.738 -1.798 -2.553 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HB . . . . . . . . . rr_6nm3 1
. 5 . 798 . 1 1 3 ILE HD11 H 0.057 1.147 -4.688 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD11 . . . . . . . . . rr_6nm3 1
. 5 . 799 . 1 1 3 ILE HD12 H -1.291 0.011 -4.697 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD12 . . . . . . . . . rr_6nm3 1
. 5 . 800 . 1 1 3 ILE HD13 H 0.366 -0.587 -4.776 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HD13 . . . . . . . . . rr_6nm3 1
. 5 . 801 . 1 1 3 ILE HG12 H -1.099 0.602 -2.427 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG12 . . . . . . . . . rr_6nm3 1
. 5 . 802 . 1 1 3 ILE HG13 H 0.659 0.602 -2.483 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG13 . . . . . . . . . rr_6nm3 1
. 5 . 803 . 1 1 3 ILE HG21 H -2.194 -1.555 -3.179 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG21 . . . . . . . . . rr_6nm3 1
. 5 . 804 . 1 1 3 ILE HG22 H -1.475 -3.076 -2.656 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG22 . . . . . . . . . rr_6nm3 1
. 5 . 805 . 1 1 3 ILE HG23 H -0.941 -2.319 -4.155 . . . 1.0 . . . . . . . . . . . . A . 3 ILE HG23 . . . . . . . . . rr_6nm3 1
. 5 . 806 . 1 1 3 ILE N N -1.985 -1.305 -0.753 . . . 1.0 . . . . . . . . . . . . A . 3 ILE N . . . . . . . . . rr_6nm3 1
. 5 . 807 . 1 1 3 ILE O O 1.349 -0.591 0.349 . . . 1.0 . . . . . . . . . . . . A . 3 ILE O . . . . . . . . . rr_6nm3 1
. 5 . 808 . 1 1 4 TRP C C 0.658 1.749 2.076 . . . 1.0 . . . . . . . . . . . . A . 4 TRP C . . . . . . . . . rr_6nm3 1
. 5 . 809 . 1 1 4 TRP CA C 0.246 1.970 0.628 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CA . . . . . . . . . rr_6nm3 1
. 5 . 810 . 1 1 4 TRP CB C -0.723 3.132 0.515 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CB . . . . . . . . . rr_6nm3 1
. 5 . 811 . 1 1 4 TRP CD1 C -2.385 2.552 -1.277 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD1 . . . . . . . . . rr_6nm3 1
. 5 . 812 . 1 1 4 TRP CD2 C -0.526 3.521 -2.079 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD2 . . . . . . . . . rr_6nm3 1
. 5 . 813 . 1 1 4 TRP CE2 C -1.338 3.229 -3.194 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE2 . . . . . . . . . rr_6nm3 1
. 5 . 814 . 1 1 4 TRP CE3 C 0.714 4.142 -2.301 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE3 . . . . . . . . . rr_6nm3 1
. 5 . 815 . 1 1 4 TRP CG C -1.215 3.088 -0.880 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CG . . . . . . . . . rr_6nm3 1
. 5 . 816 . 1 1 4 TRP CH2 C 0.308 4.154 -4.697 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CH2 . . . . . . . . . rr_6nm3 1
. 5 . 817 . 1 1 4 TRP CZ2 C -0.930 3.537 -4.490 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ2 . . . . . . . . . rr_6nm3 1
. 5 . 818 . 1 1 4 TRP CZ3 C 1.129 4.457 -3.601 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ3 . . . . . . . . . rr_6nm3 1
. 5 . 819 . 1 1 4 TRP H H -1.237 0.919 -0.452 . . . 1.0 . . . . . . . . . . . . A . 4 TRP H . . . . . . . . . rr_6nm3 1
. 5 . 820 . 1 1 4 TRP HA H 1.128 2.223 0.073 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HA . . . . . . . . . rr_6nm3 1
. 5 . 821 . 1 1 4 TRP HB2 H -1.541 3.002 1.214 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB2 . . . . . . . . . rr_6nm3 1
. 5 . 822 . 1 1 4 TRP HB3 H -0.215 4.066 0.699 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB3 . . . . . . . . . rr_6nm3 1
. 5 . 823 . 1 1 4 TRP HD1 H -3.132 2.128 -0.626 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HD1 . . . . . . . . . rr_6nm3 1
. 5 . 824 . 1 1 4 TRP HE1 H -3.211 2.304 -3.192 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE1 . . . . . . . . . rr_6nm3 1
. 5 . 825 . 1 1 4 TRP HE3 H 1.353 4.380 -1.462 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE3 . . . . . . . . . rr_6nm3 1
. 5 . 826 . 1 1 4 TRP HH2 H 0.631 4.397 -5.698 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HH2 . . . . . . . . . rr_6nm3 1
. 5 . 827 . 1 1 4 TRP HZ2 H -1.560 3.295 -5.325 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ2 . . . . . . . . . rr_6nm3 1
. 5 . 828 . 1 1 4 TRP HZ3 H 2.086 4.932 -3.757 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ3 . . . . . . . . . rr_6nm3 1
. 5 . 829 . 1 1 4 TRP N N -0.359 0.809 -0.028 . . . 1.0 . . . . . . . . . . . . A . 4 TRP N . . . . . . . . . rr_6nm3 1
. 5 . 830 . 1 1 4 TRP NE1 N -2.462 2.628 -2.653 . . . 1.0 . . . . . . . . . . . . A . 4 TRP NE1 . . . . . . . . . rr_6nm3 1
. 5 . 831 . 1 1 4 TRP O O 0.560 2.666 2.891 . . . 1.0 . . . . . . . . . . . . A . 4 TRP O . . . . . . . . . rr_6nm3 1
. 5 . 832 . 1 1 5 TRP C C 2.787 -0.532 3.906 . . . 1.0 . . . . . . . . . . . . A . 5 TRP C . . . . . . . . . rr_6nm3 1
. 5 . 833 . 1 1 5 TRP CA C 1.499 0.281 3.794 . . . 1.0 . . . . . . . . . . . . A . 5 TRP CA . . . . . . . . . rr_6nm3 1
. 5 . 834 . 1 1 5 TRP CB C 0.391 -0.509 4.479 . . . 1.0 . . . . . . . . . . . . A . 5 TRP CB . . . . . . . . . rr_6nm3 1
. 5 . 835 . 1 1 5 TRP CD1 C -0.877 -1.091 2.399 . . . 1.0 . . . . . . . . . . . . A . 5 TRP CD1 . . . . . . . . . rr_6nm3 1
. 5 . 836 . 1 1 5 TRP CD2 C -2.150 0.009 3.882 . . . 1.0 . . . . . . . . . . . . A . 5 TRP CD2 . . . . . . . . . rr_6nm3 1
. 5 . 837 . 1 1 5 TRP CE2 C -2.971 -0.282 2.771 . . . 1.0 . . . . . . . . . . . . A . 5 TRP CE2 . . . . . . . . . rr_6nm3 1
. 5 . 838 . 1 1 5 TRP CE3 C -2.716 0.708 4.961 . . . 1.0 . . . . . . . . . . . . A . 5 TRP CE3 . . . . . . . . . rr_6nm3 1
. 5 . 839 . 1 1 5 TRP CG C -0.824 -0.530 3.621 . . . 1.0 . . . . . . . . . . . . A . 5 TRP CG . . . . . . . . . rr_6nm3 1
. 5 . 840 . 1 1 5 TRP CH2 C -4.859 0.799 3.807 . . . 1.0 . . . . . . . . . . . . A . 5 TRP CH2 . . . . . . . . . rr_6nm3 1
. 5 . 841 . 1 1 5 TRP CZ2 C -4.306 0.103 2.727 . . . 1.0 . . . . . . . . . . . . A . 5 TRP CZ2 . . . . . . . . . rr_6nm3 1
. 5 . 842 . 1 1 5 TRP CZ3 C -4.064 1.102 4.922 . . . 1.0 . . . . . . . . . . . . A . 5 TRP CZ3 . . . . . . . . . rr_6nm3 1
. 5 . 843 . 1 1 5 TRP H H 1.161 -0.162 1.741 . . . 1.0 . . . . . . . . . . . . A . 5 TRP H . . . . . . . . . rr_6nm3 1
. 5 . 844 . 1 1 5 TRP HA H 1.624 1.213 4.317 . . . 1.0 . . . . . . . . . . . . A . 5 TRP HA . . . . . . . . . rr_6nm3 1
. 5 . 845 . 1 1 5 TRP HB2 H 0.725 -1.521 4.620 . . . 1.0 . . . . . . . . . . . . A . 5 TRP HB2 . . . . . . . . . rr_6nm3 1
. 5 . 846 . 1 1 5 TRP HB3 H 0.159 -0.069 5.430 . . . 1.0 . . . . . . . . . . . . A . 5 TRP HB3 . . . . . . . . . rr_6nm3 1
. 5 . 847 . 1 1 5 TRP HD1 H -0.060 -1.571 1.895 . . . 1.0 . . . . . . . . . . . . A . 5 TRP HD1 . . . . . . . . . rr_6nm3 1
. 5 . 848 . 1 1 5 TRP HE1 H -2.434 -1.294 1.039 . . . 1.0 . . . . . . . . . . . . A . 5 TRP HE1 . . . . . . . . . rr_6nm3 1
. 5 . 849 . 1 1 5 TRP HE3 H -2.111 0.949 5.820 . . . 1.0 . . . . . . . . . . . . A . 5 TRP HE3 . . . . . . . . . rr_6nm3 1
. 5 . 850 . 1 1 5 TRP HH2 H -5.895 1.103 3.781 . . . 1.0 . . . . . . . . . . . . A . 5 TRP HH2 . . . . . . . . . rr_6nm3 1
. 5 . 851 . 1 1 5 TRP HZ2 H -4.907 -0.136 1.866 . . . 1.0 . . . . . . . . . . . . A . 5 TRP HZ2 . . . . . . . . . rr_6nm3 1
. 5 . 852 . 1 1 5 TRP HZ3 H -4.492 1.639 5.756 . . . 1.0 . . . . . . . . . . . . A . 5 TRP HZ3 . . . . . . . . . rr_6nm3 1
. 5 . 853 . 1 1 5 TRP N N 1.104 0.547 2.414 . . . 1.0 . . . . . . . . . . . . A . 5 TRP N . . . . . . . . . rr_6nm3 1
. 5 . 854 . 1 1 5 TRP NE1 N -2.143 -0.958 1.901 . . . 1.0 . . . . . . . . . . . . A . 5 TRP NE1 . . . . . . . . . rr_6nm3 1
. 5 . 855 . 1 1 5 TRP O O 3.746 -0.118 4.559 . . . 1.0 . . . . . . . . . . . . A . 5 TRP O . . . . . . . . . rr_6nm3 1
. 5 . 856 . 1 1 6 TRP C C 5.039 -2.420 2.482 . . . 1.0 . . . . . . . . . . . . A . 6 TRP C . . . . . . . . . rr_6nm3 1
. 5 . 857 . 1 1 6 TRP CA C 3.870 -2.665 3.454 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CA . . . . . . . . . rr_6nm3 1
. 5 . 858 . 1 1 6 TRP CB C 3.323 -4.085 3.260 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CB . . . . . . . . . rr_6nm3 1
. 5 . 859 . 1 1 6 TRP CD1 C 0.986 -3.685 2.445 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD1 . . . . . . . . . rr_6nm3 1
. 5 . 860 . 1 1 6 TRP CD2 C 2.313 -4.551 0.858 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD2 . . . . . . . . . rr_6nm3 1
. 5 . 861 . 1 1 6 TRP CE2 C 1.044 -4.377 0.269 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE2 . . . . . . . . . rr_6nm3 1
. 5 . 862 . 1 1 6 TRP CE3 C 3.340 -5.088 0.070 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE3 . . . . . . . . . rr_6nm3 1
. 5 . 863 . 1 1 6 TRP CG C 2.250 -4.092 2.236 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CG . . . . . . . . . rr_6nm3 1
. 5 . 864 . 1 1 6 TRP CH2 C 1.827 -5.267 -1.829 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CH2 . . . . . . . . . rr_6nm3 1
. 5 . 865 . 1 1 6 TRP CZ2 C 0.796 -4.726 -1.057 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ2 . . . . . . . . . rr_6nm3 1
. 5 . 866 . 1 1 6 TRP CZ3 C 3.098 -5.446 -1.269 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ3 . . . . . . . . . rr_6nm3 1
. 5 . 867 . 1 1 6 TRP H H 1.925 -2.012 2.904 . . . 1.0 . . . . . . . . . . . . A . 6 TRP H . . . . . . . . . rr_6nm3 1
. 5 . 868 . 1 1 6 TRP HA H 4.257 -2.600 4.459 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HA . . . . . . . . . rr_6nm3 1
. 5 . 869 . 1 1 6 TRP HB2 H 4.105 -4.736 2.932 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HB2 . . . . . . . . . rr_6nm3 1
. 5 . 870 . 1 1 6 TRP HB3 H 2.918 -4.444 4.193 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HB3 . . . . . . . . . rr_6nm3 1
. 5 . 871 . 1 1 6 TRP HD1 H 0.600 -3.286 3.367 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HD1 . . . . . . . . . rr_6nm3 1
. 5 . 872 . 1 1 6 TRP HE1 H -0.656 -3.590 1.158 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE1 . . . . . . . . . rr_6nm3 1
. 5 . 873 . 1 1 6 TRP HE3 H 4.325 -5.216 0.491 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE3 . . . . . . . . . rr_6nm3 1
. 5 . 874 . 1 1 6 TRP HH2 H 1.645 -5.542 -2.858 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HH2 . . . . . . . . . rr_6nm3 1
. 5 . 875 . 1 1 6 TRP HZ2 H -0.185 -4.586 -1.483 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ2 . . . . . . . . . rr_6nm3 1
. 5 . 876 . 1 1 6 TRP HZ3 H 3.894 -5.863 -1.865 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ3 . . . . . . . . . rr_6nm3 1
. 5 . 877 . 1 1 6 TRP N N 2.751 -1.727 3.342 . . . 1.0 . . . . . . . . . . . . A . 6 TRP N . . . . . . . . . rr_6nm3 1
. 5 . 878 . 1 1 6 TRP NE1 N 0.275 -3.832 1.275 . . . 1.0 . . . . . . . . . . . . A . 6 TRP NE1 . . . . . . . . . rr_6nm3 1
. 5 . 879 . 1 1 6 TRP O O 6.139 -2.076 2.915 . . . 1.0 . . . . . . . . . . . . A . 6 TRP O . . . . . . . . . rr_6nm3 1
. 5 . 880 . 1 1 7 TRP C C 6.576 -1.136 0.218 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . rr_6nm3 1
. 5 . 881 . 1 1 7 TRP CA C 5.906 -2.513 0.201 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . rr_6nm3 1
. 5 . 882 . 1 1 7 TRP CB C 5.363 -2.762 -1.201 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . rr_6nm3 1
. 5 . 883 . 1 1 7 TRP CD1 C 3.068 -1.768 -1.201 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . rr_6nm3 1
. 5 . 884 . 1 1 7 TRP CD2 C 4.592 -0.442 -2.170 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . rr_6nm3 1
. 5 . 885 . 1 1 7 TRP CE2 C 3.366 0.247 -2.233 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . rr_6nm3 1
. 5 . 886 . 1 1 7 TRP CE3 C 5.730 0.170 -2.709 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . rr_6nm3 1
. 5 . 887 . 1 1 7 TRP CG C 4.372 -1.713 -1.511 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . rr_6nm3 1
. 5 . 888 . 1 1 7 TRP CH2 C 4.418 2.108 -3.354 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . rr_6nm3 1
. 5 . 889 . 1 1 7 TRP CZ2 C 3.272 1.513 -2.819 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . rr_6nm3 1
. 5 . 890 . 1 1 7 TRP CZ3 C 5.645 1.438 -3.298 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . rr_6nm3 1
. 5 . 891 . 1 1 7 TRP H H 3.945 -2.969 0.900 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . rr_6nm3 1
. 5 . 892 . 1 1 7 TRP HA H 6.656 -3.259 0.408 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . rr_6nm3 1
. 5 . 893 . 1 1 7 TRP HB2 H 6.163 -2.706 -1.916 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . rr_6nm3 1
. 5 . 894 . 1 1 7 TRP HB3 H 4.899 -3.728 -1.252 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . rr_6nm3 1
. 5 . 895 . 1 1 7 TRP HD1 H 2.578 -2.582 -0.697 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . rr_6nm3 1
. 5 . 896 . 1 1 7 TRP HE1 H 1.529 -0.396 -1.491 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . rr_6nm3 1
. 5 . 897 . 1 1 7 TRP HE3 H 6.677 -0.335 -2.661 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . rr_6nm3 1
. 5 . 898 . 1 1 7 TRP HH2 H 4.360 3.084 -3.802 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . rr_6nm3 1
. 5 . 899 . 1 1 7 TRP HZ2 H 2.324 2.027 -2.860 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . rr_6nm3 1
. 5 . 900 . 1 1 7 TRP HZ3 H 6.529 1.900 -3.713 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . rr_6nm3 1
. 5 . 901 . 1 1 7 TRP N N 4.826 -2.653 1.192 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . rr_6nm3 1
. 5 . 902 . 1 1 7 TRP NE1 N 2.469 -0.604 -1.613 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . rr_6nm3 1
. 5 . 903 . 1 1 7 TRP O O 7.452 -0.874 -0.605 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . rr_6nm3 1
. 5 . 904 . 1 1 8 LEU C C 8.084 0.993 2.022 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . rr_6nm3 1
. 5 . 905 . 1 1 8 LEU CA C 6.813 1.060 1.189 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . rr_6nm3 1
. 5 . 906 . 1 1 8 LEU CB C 5.859 2.095 1.796 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . rr_6nm3 1
. 5 . 907 . 1 1 8 LEU CD1 C 3.468 2.697 2.202 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . rr_6nm3 1
. 5 . 908 . 1 1 8 LEU CD2 C 4.168 1.872 -0.038 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . rr_6nm3 1
. 5 . 909 . 1 1 8 LEU CG C 4.410 1.742 1.462 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . rr_6nm3 1
. 5 . 910 . 1 1 8 LEU H H 5.505 -0.503 1.788 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . rr_6nm3 1
. 5 . 911 . 1 1 8 LEU HA H 7.068 1.369 0.180 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . rr_6nm3 1
. 5 . 912 . 1 1 8 LEU HB2 H 5.983 2.112 2.870 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . rr_6nm3 1
. 5 . 913 . 1 1 8 LEU HB3 H 6.089 3.071 1.395 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . rr_6nm3 1
. 5 . 914 . 1 1 8 LEU HD11 H 2.693 3.038 1.532 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . rr_6nm3 1
. 5 . 915 . 1 1 8 LEU HD12 H 4.024 3.548 2.565 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . rr_6nm3 1
. 5 . 916 . 1 1 8 LEU HD13 H 3.022 2.184 3.034 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . rr_6nm3 1
. 5 . 917 . 1 1 8 LEU HD21 H 4.159 2.913 -0.317 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . rr_6nm3 1
. 5 . 918 . 1 1 8 LEU HD22 H 3.214 1.428 -0.275 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . rr_6nm3 1
. 5 . 919 . 1 1 8 LEU HD23 H 4.948 1.360 -0.574 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . rr_6nm3 1
. 5 . 920 . 1 1 8 LEU HG H 4.210 0.725 1.765 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . rr_6nm3 1
. 5 . 921 . 1 1 8 LEU N N 6.193 -0.262 1.138 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . rr_6nm3 1
. 5 . 922 . 1 1 8 LEU O O 8.995 1.801 1.845 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . rr_6nm3 1
. 5 . 923 . 1 1 9 NH2 HN1 H 7.462 -0.576 3.065 . . . 1.0 . . . . . . . . . . . . A . 9 NH2 HN1 . . . . . . . . . rr_6nm3 1
. 5 . 924 . 1 1 9 NH2 HN2 H 8.998 0.005 3.474 . . . 1.0 . . . . . . . . . . . . A . 9 NH2 HN2 . . . . . . . . . rr_6nm3 1
. 5 . 925 . 1 1 9 NH2 N N 8.192 0.064 2.929 . . . 1.0 . . . . . . . . . . . . A . 9 NH2 N . . . . . . . . . rr_6nm3 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_6nm3
_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 6nm3.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_6nm3 1
1 6nm3.mr . . XPLOR/CNS 2 distance NOE simple 135 rr_6nm3 1
1 6nm3.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 10 rr_6nm3 1
1 6nm3.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_6nm3 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_6nm3
_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: '6nm3'" . . . . distance "general distance" . 124 rr_6nm3 1
2 "From CCPN project: '6nm3'" . . . . "dihedral angle" "Not applicable" . 10 rr_6nm3 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 6nm3.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_6nm3 1
1 6nm3.mr . . XPLOR/CNS 2 distance NOE simple 135 rr_6nm3 1
1 6nm3.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 10 rr_6nm3 1
1 6nm3.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_6nm3 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_6nm3
_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_6nm3 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 OR . 1 1 1 1 ARG HB2 H . . . 1 1 1 1 ARG HD2 H . . . . . 3.0 1.8 4.3 . . . . . A . 1 ARG HB2 . . A . 1 ARG HD2 . . . 1 . HB# . . . . . 1 . HD# . . rr_6nm3 1
1 2 OR . 1 1 1 1 ARG HB3 H . . . 1 1 1 1 ARG HD2 H . . . . . 3.0 1.8 4.3 . . . . . A . 1 ARG HB3 . . A . 1 ARG HD2 . . . 1 . HB# . . . . . 1 . HD# . . rr_6nm3 1
1 3 OR . 1 1 1 1 ARG HD3 H . . . 1 1 1 1 ARG HB2 H . . . . . 3.0 1.8 4.3 . . . . . A . 1 ARG HD3 . . A . 1 ARG HB2 . . . 1 . HD# . . . . . 1 . HB# . . rr_6nm3 1
1 4 OR . 1 1 1 1 ARG HB3 H . . . 1 1 1 1 ARG HD3 H . . . . . 3.0 1.8 4.3 . . . . . A . 1 ARG HB3 . . A . 1 ARG HD3 . . . 1 . HB# . . . . . 1 . HD# . . rr_6nm3 1
2 1 OR . 1 1 4 4 TRP HE1 H . . . 1 1 1 1 ARG HB2 H . . . . . 4.0 1.8 5.5 . . . . . A . 4 TRP HE1 . . A . 1 ARG HB2 . . . 4 . HE1 . . . . . 1 . HB# . . rr_6nm3 1
2 2 OR . 1 1 1 1 ARG HB3 H . . . 1 1 4 4 TRP HE1 H . . . . . 4.0 1.8 5.5 . . . . . A . 1 ARG HB3 . . A . 4 TRP HE1 . . . 1 . HB# . . . . . 4 . HE1 . . rr_6nm3 1
3 1 OR . 1 1 5 5 TRP HE1 H . . . 1 1 1 1 ARG HB2 H . . . . . 4.0 1.8 6.5 . . . . . A . 5 TRP HE1 . . A . 1 ARG HB2 . . . 5 . HE1 . . . . . 1 . HB# . . rr_6nm3 1
3 2 OR . 1 1 1 1 ARG HB3 H . . . 1 1 5 5 TRP HE1 H . . . . . 4.0 1.8 6.5 . . . . . A . 1 ARG HB3 . . A . 5 TRP HE1 . . . 1 . HB# . . . . . 5 . HE1 . . rr_6nm3 1
4 1 OR . 1 1 6 6 TRP HE1 H . . . 1 1 1 1 ARG HB2 H . . . . . 4.0 1.8 7.5 . . . . . A . 6 TRP HE1 . . A . 1 ARG HB2 . . . 6 . HE1 . . . . . 1 . HB# . . rr_6nm3 1
4 2 OR . 1 1 1 1 ARG HB3 H . . . 1 1 6 6 TRP HE1 H . . . . . 4.0 1.8 7.5 . . . . . A . 1 ARG HB3 . . A . 6 TRP HE1 . . . 1 . HB# . . . . . 6 . HE1 . . rr_6nm3 1
5 1 OR . 1 1 2 2 LYS HA H . . . 1 1 2 2 LYS HG2 H . . . . . 4.0 1.8 6.0 . . . . . A . 2 LYS HA . . A . 2 LYS HG2 . . . 2 . HA . . . . . 2 . HG# . . rr_6nm3 1
5 2 OR . 1 1 2 2 LYS HG3 H . . . 1 1 2 2 LYS HA H . . . . . 4.0 1.8 6.0 . . . . . A . 2 LYS HG3 . . A . 2 LYS HA . . . 2 . HG# . . . . . 2 . HA . . rr_6nm3 1
6 1 OR . 1 1 2 2 LYS HA H . . . 1 1 2 2 LYS HD2 H . . . . . 3.0 1.8 4.8 . . . . . A . 2 LYS HA . . A . 2 LYS HD2 . . . 2 . HA . . . . . 2 . HD# . . rr_6nm3 1
6 2 OR . 1 1 2 2 LYS HA H . . . 1 1 2 2 LYS HD3 H . . . . . 3.0 1.8 4.8 . . . . . A . 2 LYS HA . . A . 2 LYS HD3 . . . 2 . HA . . . . . 2 . HD# . . rr_6nm3 1
7 1 . . 1 1 2 2 LYS HA H . . . 1 1 3 3 ILE HB H . . . . . 4.0 1.8 6.0 . . . . . A . 2 LYS HA . . A . 3 ILE HB . . . 2 . HA . . . . . 3 . HB . . rr_6nm3 1
8 1 . . 1 1 2 2 LYS HA H . . . 1 1 3 3 ILE H H . . . . . 3.0 2.0 3.8 . . . . . A . 2 LYS HA . . A . 3 ILE H . . . 2 . HA . . . . . 3 . HN . . rr_6nm3 1
9 1 OR . 1 1 4 4 TRP HE1 H . . . 1 1 2 2 LYS HE2 H . . . . . 4.0 1.8 6.5 . . . . . A . 4 TRP HE1 . . A . 2 LYS HE2 . . . 4 . HE1 . . . . . 2 . HE# . . rr_6nm3 1
9 2 OR . 1 1 4 4 TRP HE1 H . . . 1 1 2 2 LYS HE3 H . . . . . 4.0 1.8 6.5 . . . . . A . 4 TRP HE1 . . A . 2 LYS HE3 . . . 4 . HE1 . . . . . 2 . HE# . . rr_6nm3 1
10 1 OR . 1 1 4 4 TRP HZ2 H . . . 1 1 2 2 LYS HG2 H . . . . . 4.0 1.8 7.0 . . . . . A . 4 TRP HZ2 . . A . 2 LYS HG2 . . . 4 . HZ2 . . . . . 2 . HG# . . rr_6nm3 1
10 2 OR . 1 1 2 2 LYS HG3 H . . . 1 1 4 4 TRP HZ2 H . . . . . 4.0 1.8 7.0 . . . . . A . 2 LYS HG3 . . A . 4 TRP HZ2 . . . 2 . HG# . . . . . 4 . HZ2 . . rr_6nm3 1
11 1 OR . 1 1 4 4 TRP HZ2 H . . . 1 1 2 2 LYS HD2 H . . . . . 4.0 1.8 6.5 . . . . . A . 4 TRP HZ2 . . A . 2 LYS HD2 . . . 4 . HZ2 . . . . . 2 . HD# . . rr_6nm3 1
11 2 OR . 1 1 2 2 LYS HD3 H . . . 1 1 4 4 TRP HZ2 H . . . . . 4.0 1.8 6.5 . . . . . A . 2 LYS HD3 . . A . 4 TRP HZ2 . . . 2 . HD# . . . . . 4 . HZ2 . . rr_6nm3 1
12 1 OR . 1 1 4 4 TRP HE1 H . . . 1 1 2 2 LYS HG2 H . . . . . 4.0 1.8 6.5 . . . . . A . 4 TRP HE1 . . A . 2 LYS HG2 . . . 4 . HE1 . . . . . 2 . HG# . . rr_6nm3 1
12 2 OR . 1 1 4 4 TRP HE1 H . . . 1 1 2 2 LYS HG3 H . . . . . 4.0 1.8 6.5 . . . . . A . 4 TRP HE1 . . A . 2 LYS HG3 . . . 4 . HE1 . . . . . 2 . HG# . . rr_6nm3 1
13 1 OR . 1 1 4 4 TRP HE1 H . . . 1 1 2 2 LYS HD2 H . . . . . 4.0 1.8 6.5 . . . . . A . 4 TRP HE1 . . A . 2 LYS HD2 . . . 4 . HE1 . . . . . 2 . HD# . . rr_6nm3 1
13 2 OR . 1 1 4 4 TRP HE1 H . . . 1 1 2 2 LYS HD3 H . . . . . 4.0 1.8 6.5 . . . . . A . 4 TRP HE1 . . A . 2 LYS HD3 . . . 4 . HE1 . . . . . 2 . HD# . . rr_6nm3 1
14 1 OR . 1 1 5 5 TRP HE1 H . . . 1 1 2 2 LYS HG2 H . . . . . 4.0 1.8 6.5 . . . . . A . 5 TRP HE1 . . A . 2 LYS HG2 . . . 5 . HE1 . . . . . 2 . HG# . . rr_6nm3 1
14 2 OR . 1 1 5 5 TRP HE1 H . . . 1 1 2 2 LYS HG3 H . . . . . 4.0 1.8 6.5 . . . . . A . 5 TRP HE1 . . A . 2 LYS HG3 . . . 5 . HE1 . . . . . 2 . HG# . . rr_6nm3 1
15 1 OR . 1 1 5 5 TRP HE1 H . . . 1 1 2 2 LYS HD2 H . . . . . 4.0 1.8 6.5 . . . . . A . 5 TRP HE1 . . A . 2 LYS HD2 . . . 5 . HE1 . . . . . 2 . HD# . . rr_6nm3 1
15 2 OR . 1 1 5 5 TRP HE1 H . . . 1 1 2 2 LYS HD3 H . . . . . 4.0 1.8 6.5 . . . . . A . 5 TRP HE1 . . A . 2 LYS HD3 . . . 5 . HE1 . . . . . 2 . HD# . . rr_6nm3 1
16 1 OR . 1 1 5 5 TRP HD1 H . . . 1 1 2 2 LYS HD2 H . . . . . 4.0 1.8 7.0 . . . . . A . 5 TRP HD1 . . A . 2 LYS HD2 . . . 5 . HD1 . . . . . 2 . HD# . . rr_6nm3 1
16 2 OR . 1 1 2 2 LYS HD3 H . . . 1 1 5 5 TRP HD1 H . . . . . 4.0 1.8 7.0 . . . . . A . 2 LYS HD3 . . A . 5 TRP HD1 . . . 2 . HD# . . . . . 5 . HD1 . . rr_6nm3 1
17 1 OR . 1 1 6 6 TRP HE1 H . . . 1 1 2 2 LYS HG2 H . . . . . 4.0 1.8 6.5 . . . . . A . 6 TRP HE1 . . A . 2 LYS HG2 . . . 6 . HE1 . . . . . 2 . HG# . . rr_6nm3 1
17 2 OR . 1 1 6 6 TRP HE1 H . . . 1 1 2 2 LYS HG3 H . . . . . 4.0 1.8 6.5 . . . . . A . 6 TRP HE1 . . A . 2 LYS HG3 . . . 6 . HE1 . . . . . 2 . HG# . . rr_6nm3 1
18 1 OR . 1 1 6 6 TRP HE1 H . . . 1 1 2 2 LYS HD2 H . . . . . 4.0 1.8 6.5 . . . . . A . 6 TRP HE1 . . A . 2 LYS HD2 . . . 6 . HE1 . . . . . 2 . HD# . . rr_6nm3 1
18 2 OR . 1 1 6 6 TRP HE1 H . . . 1 1 2 2 LYS HD3 H . . . . . 4.0 1.8 6.5 . . . . . A . 6 TRP HE1 . . A . 2 LYS HD3 . . . 6 . HE1 . . . . . 2 . HD# . . rr_6nm3 1
19 1 OR . 1 1 7 7 TRP HE1 H . . . 1 1 2 2 LYS HD2 H . . . . . 4.0 1.8 7.0 . . . . . A . 7 TRP HE1 . . A . 2 LYS HD2 . . . 7 . HE1 . . . . . 2 . HD# . . rr_6nm3 1
19 2 OR . 1 1 2 2 LYS HD3 H . . . 1 1 7 7 TRP HE1 H . . . . . 4.0 1.8 7.0 . . . . . A . 2 LYS HD3 . . A . 7 TRP HE1 . . . 2 . HD# . . . . . 7 . HE1 . . rr_6nm3 1
20 1 . . 1 1 3 3 ILE H H . . . 1 1 3 3 ILE MD H . . . . . 4.0 1.8 6.5 . . . . . A . 3 ILE H . . A . 3 ILE MD . . . 3 . HN . . . . . 3 . HD1# . . rr_6nm3 1
21 1 . . 1 1 3 3 ILE HA H . . . 1 1 3 3 ILE HG12 H . . . . . 4.0 1.8 5.0 . . . . . A . 3 ILE HA . . A . 3 ILE HG12 . . . 3 . HA . . . . . 3 . HG12 . . rr_6nm3 1
22 1 . . 1 1 3 3 ILE HA H . . . 1 1 3 3 ILE HG13 H . . . . . 4.0 1.8 5.0 . . . . . A . 3 ILE HA . . A . 3 ILE HG13 . . . 3 . HA . . . . . 3 . HG11 . . rr_6nm3 1
23 1 . . 1 1 3 3 ILE H H . . . 1 1 3 3 ILE HG12 H . . . . . 4.0 1.8 5.0 . . . . . A . 3 ILE H . . A . 3 ILE HG12 . . . 3 . HN . . . . . 3 . HG12 . . rr_6nm3 1
24 1 . . 1 1 3 3 ILE H H . . . 1 1 3 3 ILE HG13 H . . . . . 4.0 1.8 5.0 . . . . . A . 3 ILE H . . A . 3 ILE HG13 . . . 3 . HN . . . . . 3 . HG11 . . rr_6nm3 1
25 1 . . 1 1 3 3 ILE H H . . . 1 1 3 3 ILE MG H . . . . . 4.0 1.8 6.5 . . . . . A . 3 ILE H . . A . 3 ILE MG . . . 3 . HN . . . . . 3 . HG2# . . rr_6nm3 1
26 1 . . 1 1 3 3 ILE HB H . . . 1 1 3 3 ILE H H . . . . . 3.0 1.8 3.8 . . . . . A . 3 ILE HB . . A . 3 ILE H . . . 3 . HB . . . . . 3 . HN . . rr_6nm3 1
27 1 . . 1 1 4 4 TRP H H . . . 1 1 3 3 ILE HG12 H . . . . . 4.0 1.8 6.0 . . . . . A . 4 TRP H . . A . 3 ILE HG12 . . . 4 . HN . . . . . 3 . HG12 . . rr_6nm3 1
28 1 . . 1 1 4 4 TRP HE1 H . . . 1 1 3 3 ILE HG12 H . . . . . 4.0 1.8 5.0 . . . . . A . 4 TRP HE1 . . A . 3 ILE HG12 . . . 4 . HE1 . . . . . 3 . HG12 . . rr_6nm3 1
29 1 . . 1 1 4 4 TRP H H . . . 1 1 3 3 ILE HG13 H . . . . . 4.0 1.8 5.0 . . . . . A . 4 TRP H . . A . 3 ILE HG13 . . . 4 . HN . . . . . 3 . HG11 . . rr_6nm3 1
30 1 . . 1 1 4 4 TRP HE1 H . . . 1 1 3 3 ILE MG H . . . . . 4.0 1.8 6.5 . . . . . A . 4 TRP HE1 . . A . 3 ILE MG . . . 4 . HE1 . . . . . 3 . HG2# . . rr_6nm3 1
31 1 . . 1 1 3 3 ILE HB H . . . 1 1 4 4 TRP H H . . . . . 4.0 1.8 5.0 . . . . . A . 3 ILE HB . . A . 4 TRP H . . . 3 . HB . . . . . 4 . HN . . rr_6nm3 1
32 1 . . 1 1 3 3 ILE H H . . . 1 1 4 4 TRP H H . . . . . 4.0 1.8 5.0 . . . . . A . 3 ILE H . . A . 4 TRP H . . . 3 . HN . . . . . 4 . HN . . rr_6nm3 1
33 1 . . 1 1 4 4 TRP HE1 H . . . 1 1 3 3 ILE MG H . . . . . 4.0 1.8 6.5 . . . . . A . 4 TRP HE1 . . A . 3 ILE MG . . . 4 . HE1 . . . . . 3 . HG2# . . rr_6nm3 1
34 1 . . 1 1 3 3 ILE MG H . . . 1 1 4 4 TRP HD1 H . . . . . 4.0 1.8 6.5 . . . . . A . 3 ILE MG . . A . 4 TRP HD1 . . . 3 . HG2# . . . . . 4 . HD1 . . rr_6nm3 1
35 1 . . 1 1 3 3 ILE MG H . . . 1 1 4 4 TRP H H . . . . . 4.0 1.8 6.5 . . . . . A . 3 ILE MG . . A . 4 TRP H . . . 3 . HG2# . . . . . 4 . HN . . rr_6nm3 1
36 1 . . 1 1 3 3 ILE HA H . . . 1 1 4 4 TRP H H . . . . . 3.0 1.8 3.8 . . . . . A . 3 ILE HA . . A . 4 TRP H . . . 3 . HA . . . . . 4 . HN . . rr_6nm3 1
37 1 OR . 1 1 5 5 TRP HZ2 H . . . 1 1 3 3 ILE HG13 H . . . . . 4.0 1.8 7.0 . . . . . A . 5 TRP HZ2 . . A . 3 ILE HG13 . . . 5 . HZ2 . . . . . 3 . HG1# . . rr_6nm3 1
37 2 OR . 1 1 3 3 ILE HG12 H . . . 1 1 5 5 TRP HZ2 H . . . . . 4.0 1.8 7.0 . . . . . A . 3 ILE HG12 . . A . 5 TRP HZ2 . . . 3 . HG1# . . . . . 5 . HZ2 . . rr_6nm3 1
38 1 . . 1 1 5 5 TRP HE1 H . . . 1 1 3 3 ILE MG H . . . . . 4.0 1.8 6.5 . . . . . A . 5 TRP HE1 . . A . 3 ILE MG . . . 5 . HE1 . . . . . 3 . HG2# . . rr_6nm3 1
39 1 . . 1 1 5 5 TRP HE1 H . . . 1 1 3 3 ILE HG12 H . . . . . 4.0 1.8 5.0 . . . . . A . 5 TRP HE1 . . A . 3 ILE HG12 . . . 5 . HE1 . . . . . 3 . HG12 . . rr_6nm3 1
40 1 . . 1 1 3 3 ILE MD H . . . 1 1 5 5 TRP HZ2 H . . . . . 4.0 1.8 8.0 . . . . . A . 3 ILE MD . . A . 5 TRP HZ2 . . . 3 . HD1# . . . . . 5 . HZ2 . . rr_6nm3 1
41 1 . . 1 1 5 5 TRP HD1 H . . . 1 1 3 3 ILE MG H . . . . . 4.0 1.8 6.5 . . . . . A . 5 TRP HD1 . . A . 3 ILE MG . . . 5 . HD1 . . . . . 3 . HG2# . . rr_6nm3 1
42 1 . . 1 1 3 3 ILE MG H . . . 1 1 5 5 TRP HZ2 H . . . . . 4.0 1.8 6.5 . . . . . A . 3 ILE MG . . A . 5 TRP HZ2 . . . 3 . HG2# . . . . . 5 . HZ2 . . rr_6nm3 1
43 1 . . 1 1 3 3 ILE MG H . . . 1 1 5 5 TRP H H . . . . . 4.0 1.8 6.5 . . . . . A . 3 ILE MG . . A . 5 TRP H . . . 3 . HG2# . . . . . 5 . HN . . rr_6nm3 1
44 1 . . 1 1 5 5 TRP HE1 H . . . 1 1 3 3 ILE MG H . . . . . 4.0 1.8 6.5 . . . . . A . 5 TRP HE1 . . A . 3 ILE MG . . . 5 . HE1 . . . . . 3 . HG2# . . rr_6nm3 1
45 1 OR . 1 1 6 6 TRP HE1 H . . . 1 1 3 3 ILE HG13 H . . . . . 4.0 1.8 7.0 . . . . . A . 6 TRP HE1 . . A . 3 ILE HG13 . . . 6 . HE1 . . . . . 3 . HG1# . . rr_6nm3 1
45 2 OR . 1 1 6 6 TRP HE1 H . . . 1 1 3 3 ILE HG12 H . . . . . 4.0 1.8 7.0 . . . . . A . 6 TRP HE1 . . A . 3 ILE HG12 . . . 6 . HE1 . . . . . 3 . HG1# . . rr_6nm3 1
46 1 . . 1 1 3 3 ILE MD H . . . 1 1 6 6 TRP HZ2 H . . . . . 4.0 1.8 6.5 . . . . . A . 3 ILE MD . . A . 6 TRP HZ2 . . . 3 . HD1# . . . . . 6 . HZ2 . . rr_6nm3 1
47 1 . . 1 1 3 3 ILE MG H . . . 1 1 6 6 TRP HZ2 H . . . . . 4.0 1.8 6.5 . . . . . A . 3 ILE MG . . A . 6 TRP HZ2 . . . 3 . HG2# . . . . . 6 . HZ2 . . rr_6nm3 1
48 1 . . 1 1 3 3 ILE MG H . . . 1 1 6 6 TRP HD1 H . . . . . 4.0 1.8 7.5 . . . . . A . 3 ILE MG . . A . 6 TRP HD1 . . . 3 . HG2# . . . . . 6 . HD1 . . rr_6nm3 1
49 1 . . 1 1 6 6 TRP HE1 H . . . 1 1 3 3 ILE MG H . . . . . 4.0 1.8 6.5 . . . . . A . 6 TRP HE1 . . A . 3 ILE MG . . . 6 . HE1 . . . . . 3 . HG2# . . rr_6nm3 1
50 1 OR . 1 1 7 7 TRP HE1 H . . . 1 1 3 3 ILE HG13 H . . . . . 4.0 1.8 7.0 . . . . . A . 7 TRP HE1 . . A . 3 ILE HG13 . . . 7 . HE1 . . . . . 3 . HG1# . . rr_6nm3 1
50 2 OR . 1 1 7 7 TRP HE1 H . . . 1 1 3 3 ILE HG12 H . . . . . 4.0 1.8 7.0 . . . . . A . 7 TRP HE1 . . A . 3 ILE HG12 . . . 7 . HE1 . . . . . 3 . HG1# . . rr_6nm3 1
51 1 . . 1 1 7 7 TRP HE1 H . . . 1 1 3 3 ILE MG H . . . . . 4.0 1.8 6.5 . . . . . A . 7 TRP HE1 . . A . 3 ILE MG . . . 7 . HE1 . . . . . 3 . HG2# . . rr_6nm3 1
52 1 . . 1 1 4 4 TRP HE1 H . . . 1 1 4 4 TRP HB3 H . . . . . 4.0 1.8 6.0 . . . . . A . 4 TRP HE1 . . A . 4 TRP HB3 . . . 4 . HE1 . . . . . 4 . HB1 . . rr_6nm3 1
53 1 . . 1 1 4 4 TRP H H . . . 1 1 4 4 TRP HE3 H . . . . . 4.0 1.8 6.0 . . . . . A . 4 TRP H . . A . 4 TRP HE3 . . . 4 . HN . . . . . 4 . HE3 . . rr_6nm3 1
54 1 . . 1 1 4 4 TRP HE1 H . . . 1 1 4 4 TRP HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 4 TRP HE1 . . A . 4 TRP HB2 . . . 4 . HE1 . . . . . 4 . HB2 . . rr_6nm3 1
55 1 . . 1 1 4 4 TRP H H . . . 1 1 4 4 TRP HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 4 TRP H . . A . 4 TRP HB3 . . . 4 . HN . . . . . 4 . HB1 . . rr_6nm3 1
56 1 . . 1 1 4 4 TRP H H . . . 1 1 4 4 TRP HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 4 TRP H . . A . 4 TRP HB2 . . . 4 . HN . . . . . 4 . HB2 . . rr_6nm3 1
57 1 . . 1 1 4 4 TRP HZ3 H . . . 1 1 4 4 TRP HA H . . . . . 4.0 1.8 5.0 . . . . . A . 4 TRP HZ3 . . A . 4 TRP HA . . . 4 . HZ3 . . . . . 4 . HA . . rr_6nm3 1
58 1 . . 1 1 4 4 TRP HD1 H . . . 1 1 4 4 TRP HB3 H . . . . . 3.0 1.8 3.8 . . . . . A . 4 TRP HD1 . . A . 4 TRP HB3 . . . 4 . HD1 . . . . . 4 . HB1 . . rr_6nm3 1
59 1 OR . 1 1 4 4 TRP HE1 H . . . 1 1 4 4 TRP HB3 H . . . . . 4.0 1.8 6.0 . . . . . A . 4 TRP HE1 . . A . 4 TRP HB3 . . . 4 . HE1 . . . . . 4 . HB# . . rr_6nm3 1
59 2 OR . 1 1 4 4 TRP HE1 H . . . 1 1 4 4 TRP HB2 H . . . . . 4.0 1.8 6.0 . . . . . A . 4 TRP HE1 . . A . 4 TRP HB2 . . . 4 . HE1 . . . . . 4 . HB# . . rr_6nm3 1
60 1 . . 1 1 4 4 TRP HD1 H . . . 1 1 4 4 TRP HB2 H . . . . . 2.5 1.8 2.8 . . . . . A . 4 TRP HD1 . . A . 4 TRP HB2 . . . 4 . HD1 . . . . . 4 . HB2 . . rr_6nm3 1
61 1 . . 1 1 4 4 TRP HE1 H . . . 1 1 5 5 TRP HD1 H . . . . . 4.0 1.8 7.0 . . . . . A . 4 TRP HE1 . . A . 5 TRP HD1 . . . 4 . HE1 . . . . . 5 . HD1 . . rr_6nm3 1
62 1 . . 1 1 4 4 TRP HB2 H . . . 1 1 5 5 TRP HE3 H . . . . . 4.0 1.8 5.0 . . . . . A . 4 TRP HB2 . . A . 5 TRP HE3 . . . 4 . HB2 . . . . . 5 . HE3 . . rr_6nm3 1
63 1 . . 1 1 5 5 TRP H H . . . 1 1 4 4 TRP HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 5 TRP H . . A . 4 TRP HB3 . . . 5 . HN . . . . . 4 . HB1 . . rr_6nm3 1
64 1 . . 1 1 4 4 TRP H H . . . 1 1 5 5 TRP H H . . . . . 3.0 1.8 4.3 . . . . . A . 4 TRP H . . A . 5 TRP H . . . 4 . HN . . . . . 5 . HN . . rr_6nm3 1
65 1 . . 1 1 5 5 TRP H H . . . 1 1 4 4 TRP HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 5 TRP H . . A . 4 TRP HB2 . . . 5 . HN . . . . . 4 . HB2 . . rr_6nm3 1
66 1 . . 1 1 5 5 TRP H H . . . 1 1 4 4 TRP HA H . . . . . 4.0 1.8 5.0 . . . . . A . 5 TRP H . . A . 4 TRP HA . . . 5 . HN . . . . . 4 . HA . . rr_6nm3 1
67 1 . . 1 1 6 6 TRP HE1 H . . . 1 1 4 4 TRP HA H . . . . . 4.0 1.8 6.0 . . . . . A . 6 TRP HE1 . . A . 4 TRP HA . . . 6 . HE1 . . . . . 4 . HA . . rr_6nm3 1
68 1 . . 1 1 4 4 TRP HE3 H . . . 1 1 8 8 LEU MD1 H . . . . . 4.0 1.8 6.5 . . . . . A . 4 TRP HE3 . . A . 8 LEU MD1 . . . 4 . HE3 . . . . . 8 . HD1# . . rr_6nm3 1
69 1 . . 1 1 4 4 TRP HZ3 H . . . 1 1 8 8 LEU MD1 H . . . . . 4.0 1.8 6.5 . . . . . A . 4 TRP HZ3 . . A . 8 LEU MD1 . . . 4 . HZ3 . . . . . 8 . HD1# . . rr_6nm3 1
70 1 . . 1 1 4 4 TRP HZ2 H . . . 1 1 8 8 LEU MD2 H . . . . . 4.0 1.8 7.5 . . . . . A . 4 TRP HZ2 . . A . 8 LEU MD2 . . . 4 . HZ2 . . . . . 8 . HD2# . . rr_6nm3 1
71 1 . . 1 1 4 4 TRP H H . . . 1 1 4 4 TRP HD1 H . . . . . 4.0 1.8 5.0 . . . . . A . 4 TRP H . . A . 4 TRP HD1 . . . 4 . HN . . . . . 4 . HD1 . . rr_6nm3 1
72 1 . . 1 1 5 5 TRP HE3 H . . . 1 1 5 5 TRP HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 5 TRP HE3 . . A . 5 TRP HB2 . . . 5 . HE3 . . . . . 5 . HB2 . . rr_6nm3 1
73 1 . . 1 1 5 5 TRP HE3 H . . . 1 1 5 5 TRP HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 5 TRP HE3 . . A . 5 TRP HB3 . . . 5 . HE3 . . . . . 5 . HB1 . . rr_6nm3 1
74 1 . . 1 1 5 5 TRP HD1 H . . . 1 1 5 5 TRP HA H . . . . . 4.0 1.8 5.0 . . . . . A . 5 TRP HD1 . . A . 5 TRP HA . . . 5 . HD1 . . . . . 5 . HA . . rr_6nm3 1
75 1 . . 1 1 5 5 TRP H H . . . 1 1 5 5 TRP HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 5 TRP H . . A . 5 TRP HB3 . . . 5 . HN . . . . . 5 . HB1 . . rr_6nm3 1
76 1 . . 1 1 5 5 TRP HD1 H . . . 1 1 5 5 TRP HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 5 TRP HD1 . . A . 5 TRP HB3 . . . 5 . HD1 . . . . . 5 . HB1 . . rr_6nm3 1
77 1 . . 1 1 5 5 TRP HD1 H . . . 1 1 5 5 TRP HB2 H . . . . . 3.0 1.8 3.8 . . . . . A . 5 TRP HD1 . . A . 5 TRP HB2 . . . 5 . HD1 . . . . . 5 . HB2 . . rr_6nm3 1
78 1 . . 1 1 5 5 TRP HE3 H . . . 1 1 5 5 TRP HA H . . . . . 4.0 1.8 5.0 . . . . . A . 5 TRP HE3 . . A . 5 TRP HA . . . 5 . HE3 . . . . . 5 . HA . . rr_6nm3 1
79 1 OR . 1 1 5 5 TRP HE1 H . . . 1 1 6 6 TRP HB3 H . . . . . 4.0 1.8 7.0 . . . . . A . 5 TRP HE1 . . A . 6 TRP HB3 . . . 5 . HE1 . . . . . 6 . HB# . . rr_6nm3 1
79 2 OR . 1 1 5 5 TRP HE1 H . . . 1 1 6 6 TRP HB2 H . . . . . 4.0 1.8 7.0 . . . . . A . 5 TRP HE1 . . A . 6 TRP HB2 . . . 5 . HE1 . . . . . 6 . HB# . . rr_6nm3 1
80 1 . . 1 1 5 5 TRP HB2 H . . . 1 1 6 6 TRP H H . . . . . 4.0 1.8 5.0 . . . . . A . 5 TRP HB2 . . A . 6 TRP H . . . 5 . HB2 . . . . . 6 . HN . . rr_6nm3 1
81 1 . . 1 1 5 5 TRP HB3 H . . . 1 1 6 6 TRP H H . . . . . 3.0 1.8 3.5 . . . . . A . 5 TRP HB3 . . A . 6 TRP H . . . 5 . HB1 . . . . . 6 . HN . . rr_6nm3 1
82 1 . . 1 1 5 5 TRP HA H . . . 1 1 6 6 TRP H H . . . . . 3.0 1.8 3.5 . . . . . A . 5 TRP HA . . A . 6 TRP H . . . 5 . HA . . . . . 6 . HN . . rr_6nm3 1
83 1 . . 1 1 7 7 TRP HE1 H . . . 1 1 5 5 TRP HB2 H . . . . . 4.0 1.8 6.0 . . . . . A . 7 TRP HE1 . . A . 5 TRP HB2 . . . 7 . HE1 . . . . . 5 . HB2 . . rr_6nm3 1
84 1 . . 1 1 7 7 TRP HE1 H . . . 1 1 5 5 TRP HA H . . . . . 4.0 1.8 6.0 . . . . . A . 7 TRP HE1 . . A . 5 TRP HA . . . 7 . HE1 . . . . . 5 . HA . . rr_6nm3 1
85 1 . . 1 1 5 5 TRP HD1 H . . . 1 1 8 8 LEU MD1 H . . . . . 4.0 1.8 5.5 . . . . . A . 5 TRP HD1 . . A . 8 LEU MD1 . . . 5 . HD1 . . . . . 8 . HD1# . . rr_6nm3 1
86 1 . . 1 1 5 5 TRP HE3 H . . . 1 1 8 8 LEU MD1 H . . . . . 4.0 1.8 7.5 . . . . . A . 5 TRP HE3 . . A . 8 LEU MD1 . . . 5 . HE3 . . . . . 8 . HD1# . . rr_6nm3 1
87 1 . . 1 1 6 6 TRP HE1 H . . . 1 1 6 6 TRP HA H . . . . . 4.0 1.8 6.0 . . . . . A . 6 TRP HE1 . . A . 6 TRP HA . . . 6 . HE1 . . . . . 6 . HA . . rr_6nm3 1
88 1 . . 1 1 6 6 TRP HE1 H . . . 1 1 6 6 TRP HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 6 TRP HE1 . . A . 6 TRP HB2 . . . 6 . HE1 . . . . . 6 . HB2 . . rr_6nm3 1
89 1 . . 1 1 6 6 TRP HE1 H . . . 1 1 6 6 TRP HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 6 TRP HE1 . . A . 6 TRP HB3 . . . 6 . HE1 . . . . . 6 . HB1 . . rr_6nm3 1
90 1 . . 1 1 6 6 TRP HD1 H . . . 1 1 6 6 TRP HA H . . . . . 4.0 1.8 5.0 . . . . . A . 6 TRP HD1 . . A . 6 TRP HA . . . 6 . HD1 . . . . . 6 . HA . . rr_6nm3 1
91 1 . . 1 1 6 6 TRP HD1 H . . . 1 1 6 6 TRP HB2 H . . . . . 4.0 1.8 6.0 . . . . . A . 6 TRP HD1 . . A . 6 TRP HB2 . . . 6 . HD1 . . . . . 6 . HB2 . . rr_6nm3 1
92 1 . . 1 1 6 6 TRP HE1 H . . . 1 1 6 6 TRP HB2 H . . . . . 4.0 1.8 6.0 . . . . . A . 6 TRP HE1 . . A . 6 TRP HB2 . . . 6 . HE1 . . . . . 6 . HB2 . . rr_6nm3 1
93 1 . . 1 1 6 6 TRP HD1 H . . . 1 1 6 6 TRP HB3 H . . . . . 4.0 1.8 6.0 . . . . . A . 6 TRP HD1 . . A . 6 TRP HB3 . . . 6 . HD1 . . . . . 6 . HB1 . . rr_6nm3 1
94 1 . . 1 1 6 6 TRP HE1 H . . . 1 1 6 6 TRP HA H . . . . . 4.0 1.8 6.0 . . . . . A . 6 TRP HE1 . . A . 6 TRP HA . . . 6 . HE1 . . . . . 6 . HA . . rr_6nm3 1
95 1 . . 1 1 6 6 TRP HE1 H . . . 1 1 6 6 TRP HB3 H . . . . . 4.0 1.8 6.0 . . . . . A . 6 TRP HE1 . . A . 6 TRP HB3 . . . 6 . HE1 . . . . . 6 . HB1 . . rr_6nm3 1
96 1 . . 1 1 6 6 TRP HE1 H . . . 1 1 7 7 TRP HD1 H . . . . . 4.0 1.8 6.0 . . . . . A . 6 TRP HE1 . . A . 7 TRP HD1 . . . 6 . HE1 . . . . . 7 . HD1 . . rr_6nm3 1
97 1 . . 1 1 6 6 TRP HB2 H . . . 1 1 7 7 TRP H H . . . . . 4.0 1.8 6.0 . . . . . A . 6 TRP HB2 . . A . 7 TRP H . . . 6 . HB2 . . . . . 7 . HN . . rr_6nm3 1
98 1 . . 1 1 6 6 TRP HA H . . . 1 1 7 7 TRP H H . . . . . 4.0 1.8 5.0 . . . . . A . 6 TRP HA . . A . 7 TRP H . . . 6 . HA . . . . . 7 . HN . . rr_6nm3 1
99 1 . . 1 1 8 8 LEU MD2 H . . . 1 1 6 6 TRP HE3 H . . . . . 4.0 1.8 7.0 . . . . . A . 8 LEU MD2 . . A . 6 TRP HE3 . . . 8 . HD2# . . . . . 6 . HE3 . . rr_6nm3 1
100 1 . . 1 1 7 7 TRP HE1 H . . . 1 1 7 7 TRP HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 7 TRP HE1 . . A . 7 TRP HB2 . . . 7 . HE1 . . . . . 7 . HB2 . . rr_6nm3 1
101 1 . . 1 1 7 7 TRP HE1 H . . . 1 1 7 7 TRP HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 7 TRP HE1 . . A . 7 TRP HB3 . . . 7 . HE1 . . . . . 7 . HB1 . . rr_6nm3 1
102 1 . . 1 1 7 7 TRP H H . . . 1 1 7 7 TRP HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 7 TRP H . . A . 7 TRP HB2 . . . 7 . HN . . . . . 7 . HB2 . . rr_6nm3 1
103 1 . . 1 1 7 7 TRP H H . . . 1 1 7 7 TRP HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 7 TRP H . . A . 7 TRP HB3 . . . 7 . HN . . . . . 7 . HB1 . . rr_6nm3 1
104 1 . . 1 1 7 7 TRP HD1 H . . . 1 1 7 7 TRP HA H . . . . . 4.0 1.8 5.0 . . . . . A . 7 TRP HD1 . . A . 7 TRP HA . . . 7 . HD1 . . . . . 7 . HA . . rr_6nm3 1
105 1 . . 1 1 7 7 TRP HB2 H . . . 1 1 7 7 TRP HE3 H . . . . . 4.0 1.8 5.0 . . . . . A . 7 TRP HB2 . . A . 7 TRP HE3 . . . 7 . HB2 . . . . . 7 . HE3 . . rr_6nm3 1
106 1 . . 1 1 7 7 TRP HA H . . . 1 1 7 7 TRP HE3 H . . . . . 4.0 1.8 7.0 . . . . . A . 7 TRP HA . . A . 7 TRP HE3 . . . 7 . HA . . . . . 7 . HE3 . . rr_6nm3 1
107 1 . . 1 1 7 7 TRP HD1 H . . . 1 1 7 7 TRP HB3 H . . . . . 3.0 1.8 3.8 . . . . . A . 7 TRP HD1 . . A . 7 TRP HB3 . . . 7 . HD1 . . . . . 7 . HB1 . . rr_6nm3 1
108 1 . . 1 1 7 7 TRP HD1 H . . . 1 1 7 7 TRP HB2 H . . . . . 3.0 1.8 3.8 . . . . . A . 7 TRP HD1 . . A . 7 TRP HB2 . . . 7 . HD1 . . . . . 7 . HB2 . . rr_6nm3 1
109 1 . . 1 1 7 7 TRP HD1 H . . . 1 1 8 8 LEU HG H . . . . . 4.0 1.8 5.0 . . . . . A . 7 TRP HD1 . . A . 8 LEU HG . . . 7 . HD1 . . . . . 8 . HG . . rr_6nm3 1
110 1 . . 1 1 7 7 TRP HE3 H . . . 1 1 8 8 LEU HA H . . . . . 4.0 1.8 5.0 . . . . . A . 7 TRP HE3 . . A . 8 LEU HA . . . 7 . HE3 . . . . . 8 . HA . . rr_6nm3 1
111 1 . . 1 1 7 7 TRP HE3 H . . . 1 1 8 8 LEU HG H . . . . . 4.0 1.8 5.0 . . . . . A . 7 TRP HE3 . . A . 8 LEU HG . . . 7 . HE3 . . . . . 8 . HG . . rr_6nm3 1
112 1 . . 1 1 7 7 TRP HE1 H . . . 1 1 8 8 LEU HG H . . . . . 4.0 1.8 6.0 . . . . . A . 7 TRP HE1 . . A . 8 LEU HG . . . 7 . HE1 . . . . . 8 . HG . . rr_6nm3 1
113 1 . . 1 1 8 8 LEU MD2 H . . . 1 1 7 7 TRP HE3 H . . . . . 4.0 1.8 5.5 . . . . . A . 8 LEU MD2 . . A . 7 TRP HE3 . . . 8 . HD2# . . . . . 7 . HE3 . . rr_6nm3 1
114 1 . . 1 1 7 7 TRP HE1 H . . . 1 1 8 8 LEU MD2 H . . . . . 4.0 1.8 6.5 . . . . . A . 7 TRP HE1 . . A . 8 LEU MD2 . . . 7 . HE1 . . . . . 8 . HD2# . . rr_6nm3 1
115 1 . . 1 1 8 8 LEU MD2 H . . . 1 1 7 7 TRP HH2 H . . . . . 4.0 1.8 5.5 . . . . . A . 8 LEU MD2 . . A . 7 TRP HH2 . . . 8 . HD2# . . . . . 7 . HH2 . . rr_6nm3 1
116 1 . . 1 1 8 8 LEU MD2 H . . . 1 1 7 7 TRP HD1 H . . . . . 4.0 1.8 6.5 . . . . . A . 8 LEU MD2 . . A . 7 TRP HD1 . . . 8 . HD2# . . . . . 7 . HD1 . . rr_6nm3 1
117 1 . . 1 1 8 8 LEU MD2 H . . . 1 1 7 7 TRP HZ3 H . . . . . 4.0 1.8 5.5 . . . . . A . 8 LEU MD2 . . A . 7 TRP HZ3 . . . 8 . HD2# . . . . . 7 . HZ3 . . rr_6nm3 1
118 1 . . 1 1 8 8 LEU HA H . . . 1 1 7 7 TRP HH2 H . . . . . 4.0 1.8 5.0 . . . . . A . 8 LEU HA . . A . 7 TRP HH2 . . . 8 . HA . . . . . 7 . HH2 . . rr_6nm3 1
119 1 . . 1 1 7 7 TRP HA H . . . 1 1 8 8 LEU H H . . . . . 4.0 1.8 5.0 . . . . . A . 7 TRP HA . . A . 8 LEU H . . . 7 . HA . . . . . 8 . HN . . rr_6nm3 1
120 1 . . 1 1 8 8 LEU HG H . . . 1 1 8 8 LEU HA H . . . . . 4.0 1.8 5.0 . . . . . A . 8 LEU HG . . A . 8 LEU HA . . . 8 . HG . . . . . 8 . HA . . rr_6nm3 1
121 1 . . 1 1 8 8 LEU MD1 H . . . 1 1 8 8 LEU H H . . . . . 4.0 1.8 5.5 . . . . . A . 8 LEU MD1 . . A . 8 LEU H . . . 8 . HD1# . . . . . 8 . HN . . rr_6nm3 1
122 1 . . 1 1 8 8 LEU MD2 H . . . 1 1 8 8 LEU HA H . . . . . 4.0 1.8 5.5 . . . . . A . 8 LEU MD2 . . A . 8 LEU HA . . . 8 . HD2# . . . . . 8 . HA . . rr_6nm3 1
123 1 . . 1 1 8 8 LEU HG H . . . 1 1 8 8 LEU H H . . . . . 3.0 1.8 3.5 . . . . . A . 8 LEU HG . . A . 8 LEU H . . . 8 . HG . . . . . 8 . HN . . rr_6nm3 1
124 1 OR . 1 1 8 8 LEU H H . . . 1 1 8 8 LEU HB2 H . . . . . 3.0 1.8 4.8 . . . . . A . 8 LEU H . . A . 8 LEU HB2 . . . 8 . HN . . . . . 8 . HB# . . rr_6nm3 1
124 2 OR . 1 1 8 8 LEU H H . . . 1 1 8 8 LEU HB3 H . . . . . 3.0 1.8 4.8 . . . . . A . 8 LEU H . . A . 8 LEU HB3 . . . 8 . HN . . . . . 8 . HB# . . rr_6nm3 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: ww295_restraints_12202018comb.tbl" 1 1 1 54 rr_6nm3 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
;pck2xplr.nawk Table; Input File: noe_f_11102017.sort
Date: Fri Nov 10 16:59:12 EST 2017
Path: /hbar1/gswang/D295/D295_noeZ @ BEGIN_XPLR_PCK_SUM
LBL File-Name All Intra Seq. Short Long
A noe_f_11102017.sort 133 58 37 36 2
Total 133 58 37 36 2
@ END_XPLR_PCK_SUM
@ BEGIN_XPLR_NOE_FILE 1
;
2 1 14 4 rr_6nm3 1
2 "A.278 at 2.66e+07" 15 77 15 97 rr_6nm3 1
3 "A.34 at 3.26e+06" 16 77 16 97 rr_6nm3 1
4 "A.44 at 2.43e+06" 17 77 17 97 rr_6nm3 1
5
;A.45 at 2.13e+06
2
;
18 77 20 4 rr_6nm3 1
6 "A.274 at 7.25e+06" 21 77 21 97 rr_6nm3 1
7 "A.269 at 3.38e+07" 22 77 22 97 rr_6nm3 1
8 "A.277 at 2.44e+06" 23 77 23 97 rr_6nm3 1
9 "A.69 at 7.11e+07" 24 77 24 97 rr_6nm3 1
10 "A.24 at 2.30e+06" 25 77 25 97 rr_6nm3 1
11 "A.337 at 2.95e+06" 26 77 26 97 rr_6nm3 1
12 "A.336 at 5.87e+06" 27 77 27 97 rr_6nm3 1
13 "A.318 at 6.05e+06" 28 77 28 97 rr_6nm3 1
14 "A.314 at 1.00e+07" 29 77 29 97 rr_6nm3 1
15 "A.319 at 5.07e+06" 30 77 30 97 rr_6nm3 1
16 "A.315 at 6.74e+06" 31 77 31 97 rr_6nm3 1
17 "A.228 at 7.57e+06" 32 77 32 97 rr_6nm3 1
18 "A.320 at 3.84e+06" 33 77 33 97 rr_6nm3 1
19 "A.317 at 4.52e+06" 34 77 34 97 rr_6nm3 1
20
;A.316 at 4.62e+06
3
;
35 77 37 4 rr_6nm3 1
21 "A.144 at 4.96e+06" 38 77 38 97 rr_6nm3 1
22 "A.272 at 5.18e+06" 39 77 39 97 rr_6nm3 1
23 "A.271 at 6.33e+06" 40 77 40 97 rr_6nm3 1
24 "A.142 at 1.45e+07" 41 77 41 97 rr_6nm3 1
25 "A.141 at 1.70e+07" 42 77 42 97 rr_6nm3 1
26 "A.145 at 1.70e+07" 43 77 43 97 rr_6nm3 1
27 "A.140 at 3.66e+07" 44 77 44 97 rr_6nm3 1
28 "A.332 at 2.08e+06" 45 77 45 97 rr_6nm3 1
29 "A.38 at 3.25e+06" 46 77 46 97 rr_6nm3 1
30 "A.331 at 3.30e+06" 47 77 47 97 rr_6nm3 1
31 "A.308 at 5.04e+06" 48 77 48 97 rr_6nm3 1
32 "A.146 at 7.07e+06" 49 77 49 97 rr_6nm3 1
33 "A.50 at 7.34e+06" 50 77 50 97 rr_6nm3 1
34 "A.156 at 1.01e+07" 51 78 51 98 rr_6nm3 1
35 "A.199 at 1.03e+07" 52 77 52 97 rr_6nm3 1
36 "A.149 at 1.05e+07" 53 77 53 97 rr_6nm3 1
37 "2.5 0.7 0.4 ! A.72 at 4.14e+07" 54 77 54 112 rr_6nm3 1
38 "A.232 at 2.29e+06" 55 78 55 98 rr_6nm3 1
39 "A.175 at 2.82e+06" 56 78 56 98 rr_6nm3 1
40 "A.46 at 3.57e+06" 57 77 57 97 rr_6nm3 1
41 "A.160 at 5.78e+06" 58 77 58 97 rr_6nm3 1
42 "A.215 at 7.81e+06" 59 77 59 97 rr_6nm3 1
43 "A.161 at 9.01e+06" 60 77 60 97 rr_6nm3 1
44 "A.242 at 1.03e+07" 61 77 61 97 rr_6nm3 1
45 "A.306 at 1.23e+07" 62 77 62 97 rr_6nm3 1
46 "A.47 at 2.72e+06" 63 77 63 97 rr_6nm3 1
47 "A.344 at 3.49e+06" 64 77 64 97 rr_6nm3 1
48 "A.307 at 4.48e+06" 65 77 65 97 rr_6nm3 1
49 "A.214 at 4.94e+06" 66 77 66 97 rr_6nm3 1
50 "A.322 at 5.70e+06" 67 78 67 98 rr_6nm3 1
51 "A.48 at 2.67e+06" 68 77 68 97 rr_6nm3 1
52
;A.309 at 4.00e+06
4
;
69 77 71 4 rr_6nm3 1
53 "A.22 at 2.61e+06" 72 77 72 97 rr_6nm3 1
54 "A.301 at 4.44e+06" 73 78 73 98 rr_6nm3 1
55 "A.23 at 4.91e+06" 74 77 74 97 rr_6nm3 1
56 "A.94 at 1.32e+07" 75 77 75 97 rr_6nm3 1
57 "A.95 at 1.43e+07" 76 77 76 97 rr_6nm3 1
58 "A.81 at 2.06e+07" 77 78 77 98 rr_6nm3 1
59 "A.117 at 2.49e+07" 78 77 78 97 rr_6nm3 1
60 "A.96 at 2.84e+07" 79 78 79 98 rr_6nm3 1
61 "A.118 at 3.82e+07" 80 77 80 97 rr_6nm3 1
62 "A.338 at 3.74e+06" 81 77 81 97 rr_6nm3 1
63 "A.184 at 5.79e+06" 82 78 82 98 rr_6nm3 1
64 "A.125 at 6.77e+06" 83 77 83 97 rr_6nm3 1
65 "A.57 at 9.93e+06" 84 77 84 97 rr_6nm3 1
66 "A.127 at 1.56e+07" 85 77 85 97 rr_6nm3 1
67 "A.87 at 1.93e+07" 86 77 86 97 rr_6nm3 1
68 "A.19 at 2.52e+06" 87 77 87 97 rr_6nm3 1
69 "A.169 at 4.38e+06" 88 78 88 98 rr_6nm3 1
70 "A.327 at 6.98e+06" 89 78 89 98 rr_6nm3 1
71 ADD 90 78 90 83 rr_6nm3 1
72
;A.54 at 1.03e+07
5
;
91 78 93 4 rr_6nm3 1
73 "A.27 at 3.30e+06" 94 77 94 97 rr_6nm3 1
74 "A.26 at 3.82e+06" 95 77 95 97 rr_6nm3 1
75 "A.91 at 1.59e+07" 96 77 96 97 rr_6nm3 1
76 "A.128 at 1.59e+07" 97 77 97 97 rr_6nm3 1
77 "A.134 at 2.21e+07" 98 77 98 97 rr_6nm3 1
78 "A.115 at 2.27e+07" 99 77 99 97 rr_6nm3 1
79 "A.133 at 2.28e+07" 100 77 100 97 rr_6nm3 1
80 "A.80 at 2.54e+07" 101 78 101 98 rr_6nm3 1
81 "A.25 at 3.57e+06" 102 77 102 97 rr_6nm3 1
82 "A.99 at 5.04e+06" 103 77 103 97 rr_6nm3 1
83 "A.98 at 2.47e+07" 104 77 104 97 rr_6nm3 1
84 "A.75 at 3.07e+07" 105 77 105 97 rr_6nm3 1
85 "A.304 at 2.06e+06" 106 77 106 97 rr_6nm3 1
86 "A.21 at 6.44e+06" 107 77 107 97 rr_6nm3 1
87 "A.342 at 4.84e+06" 108 77 108 97 rr_6nm3 1
88
;A.187 at 1.16e+07
6
;
109 78 111 4 rr_6nm3 1
89 "A.340 at 2.19e+06" 112 77 112 97 rr_6nm3 1
90 "A.29 at 3.49e+06" 113 77 113 97 rr_6nm3 1
91 "A.28 at 5.65e+06" 114 77 114 97 rr_6nm3 1
92 "A.89 at 2.04e+07" 115 77 115 97 rr_6nm3 1
93 "A.131 at 2.14e+07" 116 77 116 97 rr_6nm3 1
94 "A.109 at 2.39e+07" 117 78 117 98 rr_6nm3 1
95 "A.130 at 2.53e+07" 118 77 118 97 rr_6nm3 1
96 "A.78 at 3.05e+07" 119 78 119 98 rr_6nm3 1
97 "A.108 at 3.33e+07" 120 78 120 98 rr_6nm3 1
98 "A.339 at 2.68e+06" 121 77 121 97 rr_6nm3 1
99 "A.121 at 5.77e+06" 122 77 122 97 rr_6nm3 1
100 "A.103 at 1.76e+07" 123 77 123 97 rr_6nm3 1
101
;A.324 at 5.00e+06
7
;
124 78 126 4 rr_6nm3 1
102 "A.303 at 3.16e+06" 127 77 127 97 rr_6nm3 1
103 "A.31 at 4.27e+06" 128 77 128 97 rr_6nm3 1
104 "A.123 at 1.17e+07" 129 77 129 97 rr_6nm3 1
105 "A.122 at 1.86e+07" 130 77 130 97 rr_6nm3 1
106 "A.93 at 2.06e+07" 131 77 131 97 rr_6nm3 1
107 "A.114 at 2.09e+07" 132 77 132 97 rr_6nm3 1
108 "A.77 at 2.21e+07" 133 78 133 98 rr_6nm3 1
109 "A.135 at 2.69e+07" 134 77 134 97 rr_6nm3 1
110 "A.113 at 2.75e+07" 135 77 135 97 rr_6nm3 1
111 "A.136 at 2.75e+07" 136 77 136 97 rr_6nm3 1
112 "A.104 at 2.76e+06" 137 77 137 97 rr_6nm3 1
113 "A.234 at 3.58e+06" 138 77 138 97 rr_6nm3 1
114 "A.79 at 3.84e+06" 139 78 139 98 rr_6nm3 1
115 "A.166 at 4.10e+06" 140 78 140 98 rr_6nm3 1
116 "A.321 at 5.05e+06" 141 77 141 97 rr_6nm3 1
117 "A.167 at 8.80e+06" 142 77 142 97 rr_6nm3 1
118 "A.311 at 9.16e+06" 143 77 143 97 rr_6nm3 1
119 "A.326 at 1.05e+07" 144 77 144 97 rr_6nm3 1
120 "A.230 at 1.10e+07" 145 77 145 97 rr_6nm3 1
121 "A.325 at 1.17e+07" 146 78 146 98 rr_6nm3 1
122 "A.84 at 1.74e+07" 147 77 147 97 rr_6nm3 1
123
;A.106 at 2.13e+07
8
;
148 77 150 4 rr_6nm3 1
124 "A.343 at 3.54e+06" 151 77 151 97 rr_6nm3 1
125 "A.100 at 3.83e+06" 152 77 152 97 rr_6nm3 1
126 "A.237 at 4.70e+06" 153 77 153 97 rr_6nm3 1
127 "A.240 at 4.70e+06" 154 77 154 97 rr_6nm3 1
128 "A.221 at 7.31e+06" 155 77 155 97 rr_6nm3 1
129 "A.227 at 7.31e+06" 156 77 156 97 rr_6nm3 1
130 "A.270 at 8.35e+06" 157 77 157 97 rr_6nm3 1
131 "A.90 at 1.15e+07" 158 77 158 97 rr_6nm3 1
132 ADD 159 76 159 80 rr_6nm3 1
133 "A.330 at 1.29e+07" 160 77 160 97 rr_6nm3 1
134 "A.273 at 1.38e+07" 161 77 161 97 rr_6nm3 1
135 "A.186 at 2.47e+07" 162 77 162 97 rr_6nm3 1
136
;A.193 at 3.05e+07
@ END_XPLR_NOE_FILE
;
163 77 165 21 rr_6nm3 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 77 1 "Not handling restraint 77, item 1, resonance(s) ' .5.HE' (nmrStar names) not linked" rr_6nm3 1
2 2 109 1 "Not handling restraint 109, item 1, resonance(s) ' .7.HE' (nmrStar names) not linked" rr_6nm3 1
3 2 111 1 "Not handling restraint 111, item 1, resonance(s) ' .8.H2' (nmrStar names) not linked" rr_6nm3 1
4 2 123 1 "Not handling restraint 123, item 1, resonance(s) ' .8.H2' (nmrStar names) not linked" rr_6nm3 1
5 2 124 1 "Not handling restraint 124, item 1, resonance(s) ' .8.H1' (nmrStar names) not linked" rr_6nm3 1
6 2 125 1 "Not handling restraint 125, item 1, resonance(s) ' .8.H1' (nmrStar names) not linked" rr_6nm3 1
7 2 126 1 "Not handling restraint 126, item 1, resonance(s) ' .8.H1' (nmrStar names) not linked" rr_6nm3 1
8 2 127 1 "Not handling restraint 127, item 1, resonance(s) ' .8.H2' (nmrStar names) not linked" rr_6nm3 1
9 2 128 1 "Not handling restraint 128, item 1, resonance(s) ' .8.H2' (nmrStar names) not linked" rr_6nm3 1
10 2 130 1 "Not handling restraint 130, item 1, resonance(s) ' .8.H2' (nmrStar names) not linked" rr_6nm3 1
11 2 131 1 "Not handling restraint 131, item 1, resonance(s) ' .8.H2' (nmrStar names) not linked" rr_6nm3 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_6nm3
_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_6nm3 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 2 . OR rr_6nm3 1
1 2 . 3 . rr_6nm3 1
1 3 . 4 . rr_6nm3 1
1 4 . 5 . rr_6nm3 1
1 5 . . . rr_6nm3 1
2 1 2 . OR rr_6nm3 1
2 2 . 3 . rr_6nm3 1
2 3 . . . rr_6nm3 1
3 1 2 . OR rr_6nm3 1
3 2 . 3 . rr_6nm3 1
3 3 . . . rr_6nm3 1
4 1 2 . OR rr_6nm3 1
4 2 . 3 . rr_6nm3 1
4 3 . . . rr_6nm3 1
5 1 2 . OR rr_6nm3 1
5 2 . 3 . rr_6nm3 1
5 3 . . . rr_6nm3 1
6 1 2 . OR rr_6nm3 1
6 2 . 3 . rr_6nm3 1
6 3 . . . rr_6nm3 1
7 1 . . . rr_6nm3 1
8 1 . . . rr_6nm3 1
9 1 2 . OR rr_6nm3 1
9 2 . 3 . rr_6nm3 1
9 3 . . . rr_6nm3 1
10 1 2 . OR rr_6nm3 1
10 2 . 3 . rr_6nm3 1
10 3 . . . rr_6nm3 1
11 1 2 . OR rr_6nm3 1
11 2 . 3 . rr_6nm3 1
11 3 . . . rr_6nm3 1
12 1 2 . OR rr_6nm3 1
12 2 . 3 . rr_6nm3 1
12 3 . . . rr_6nm3 1
13 1 2 . OR rr_6nm3 1
13 2 . 3 . rr_6nm3 1
13 3 . . . rr_6nm3 1
14 1 2 . OR rr_6nm3 1
14 2 . 3 . rr_6nm3 1
14 3 . . . rr_6nm3 1
15 1 2 . OR rr_6nm3 1
15 2 . 3 . rr_6nm3 1
15 3 . . . rr_6nm3 1
16 1 2 . OR rr_6nm3 1
16 2 . 3 . rr_6nm3 1
16 3 . . . rr_6nm3 1
17 1 2 . OR rr_6nm3 1
17 2 . 3 . rr_6nm3 1
17 3 . . . rr_6nm3 1
18 1 2 . OR rr_6nm3 1
18 2 . 3 . rr_6nm3 1
18 3 . . . rr_6nm3 1
19 1 2 . OR rr_6nm3 1
19 2 . 3 . rr_6nm3 1
19 3 . . . rr_6nm3 1
20 1 . . . rr_6nm3 1
21 1 . . . rr_6nm3 1
22 1 . . . rr_6nm3 1
23 1 . . . rr_6nm3 1
24 1 . . . rr_6nm3 1
25 1 . . . rr_6nm3 1
26 1 . . . rr_6nm3 1
27 1 . . . rr_6nm3 1
28 1 . . . rr_6nm3 1
29 1 . . . rr_6nm3 1
30 1 . . . rr_6nm3 1
31 1 . . . rr_6nm3 1
32 1 . . . rr_6nm3 1
33 1 . . . rr_6nm3 1
34 1 . . . rr_6nm3 1
35 1 . . . rr_6nm3 1
36 1 . . . rr_6nm3 1
37 1 2 . OR rr_6nm3 1
37 2 . 3 . rr_6nm3 1
37 3 . . . rr_6nm3 1
38 1 . . . rr_6nm3 1
39 1 . . . rr_6nm3 1
40 1 . . . rr_6nm3 1
41 1 . . . rr_6nm3 1
42 1 . . . rr_6nm3 1
43 1 . . . rr_6nm3 1
44 1 . . . rr_6nm3 1
45 1 2 . OR rr_6nm3 1
45 2 . 3 . rr_6nm3 1
45 3 . . . rr_6nm3 1
46 1 . . . rr_6nm3 1
47 1 . . . rr_6nm3 1
48 1 . . . rr_6nm3 1
49 1 . . . rr_6nm3 1
50 1 2 . OR rr_6nm3 1
50 2 . 3 . rr_6nm3 1
50 3 . . . rr_6nm3 1
51 1 . . . rr_6nm3 1
52 1 . . . rr_6nm3 1
53 1 . . . rr_6nm3 1
54 1 . . . rr_6nm3 1
55 1 . . . rr_6nm3 1
56 1 . . . rr_6nm3 1
57 1 . . . rr_6nm3 1
58 1 . . . rr_6nm3 1
59 1 2 . OR rr_6nm3 1
59 2 . 3 . rr_6nm3 1
59 3 . . . rr_6nm3 1
60 1 . . . rr_6nm3 1
61 1 . . . rr_6nm3 1
62 1 . . . rr_6nm3 1
63 1 . . . rr_6nm3 1
64 1 . . . rr_6nm3 1
65 1 . . . rr_6nm3 1
66 1 . . . rr_6nm3 1
67 1 . . . rr_6nm3 1
68 1 . . . rr_6nm3 1
69 1 . . . rr_6nm3 1
70 1 . . . rr_6nm3 1
71 1 . . . rr_6nm3 1
72 1 . . . rr_6nm3 1
73 1 . . . rr_6nm3 1
74 1 . . . rr_6nm3 1
75 1 . . . rr_6nm3 1
76 1 . . . rr_6nm3 1
77 1 . . . rr_6nm3 1
78 1 . . . rr_6nm3 1
79 1 2 . OR rr_6nm3 1
79 2 . 3 . rr_6nm3 1
79 3 . . . rr_6nm3 1
80 1 . . . rr_6nm3 1
81 1 . . . rr_6nm3 1
82 1 . . . rr_6nm3 1
83 1 . . . rr_6nm3 1
84 1 . . . rr_6nm3 1
85 1 . . . rr_6nm3 1
86 1 . . . rr_6nm3 1
87 1 . . . rr_6nm3 1
88 1 . . . rr_6nm3 1
89 1 . . . rr_6nm3 1
90 1 . . . rr_6nm3 1
91 1 . . . rr_6nm3 1
92 1 . . . rr_6nm3 1
93 1 . . . rr_6nm3 1
94 1 . . . rr_6nm3 1
95 1 . . . rr_6nm3 1
96 1 . . . rr_6nm3 1
97 1 . . . rr_6nm3 1
98 1 . . . rr_6nm3 1
99 1 . . . rr_6nm3 1
100 1 . . . rr_6nm3 1
101 1 . . . rr_6nm3 1
102 1 . . . rr_6nm3 1
103 1 . . . rr_6nm3 1
104 1 . . . rr_6nm3 1
105 1 . . . rr_6nm3 1
106 1 . . . rr_6nm3 1
107 1 . . . rr_6nm3 1
108 1 . . . rr_6nm3 1
109 1 . . . rr_6nm3 1
110 1 . . . rr_6nm3 1
111 1 . . . rr_6nm3 1
112 1 . . . rr_6nm3 1
113 1 . . . rr_6nm3 1
114 1 . . . rr_6nm3 1
115 1 . . . rr_6nm3 1
116 1 . . . rr_6nm3 1
117 1 . . . rr_6nm3 1
118 1 . . . rr_6nm3 1
119 1 . . . rr_6nm3 1
120 1 . . . rr_6nm3 1
121 1 . . . rr_6nm3 1
122 1 . . . rr_6nm3 1
123 1 . . . rr_6nm3 1
124 1 2 . OR rr_6nm3 1
124 2 . 3 . rr_6nm3 1
124 3 . . . rr_6nm3 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 2 . 1 . 1 1 1 1 ARG HB2 H . . . . 1 . HB# rr_6nm3 1
1 2 . 2 . 1 1 1 1 ARG HD2 H . . . . 1 . HD# rr_6nm3 1
1 3 . 1 . 1 1 1 1 ARG HB3 H . . . . 1 . HB# rr_6nm3 1
1 3 . 2 . 1 1 1 1 ARG HD2 H . . . . 1 . HD# rr_6nm3 1
1 4 . 1 . 1 1 1 1 ARG HB2 H . . . . 1 . HB# rr_6nm3 1
1 4 . 2 . 1 1 1 1 ARG HD3 H . . . . 1 . HD# rr_6nm3 1
1 5 . 1 . 1 1 1 1 ARG HB3 H . . . . 1 . HB# rr_6nm3 1
1 5 . 2 . 1 1 1 1 ARG HD3 H . . . . 1 . HD# rr_6nm3 1
2 2 . 1 . 1 1 1 1 ARG HB2 H . . . . 1 . HB# rr_6nm3 1
2 2 . 2 . 1 1 4 4 TRP HE1 H . . . . 4 . HE1 rr_6nm3 1
2 3 . 1 . 1 1 1 1 ARG HB3 H . . . . 1 . HB# rr_6nm3 1
2 3 . 2 . 1 1 4 4 TRP HE1 H . . . . 4 . HE1 rr_6nm3 1
3 2 . 1 . 1 1 1 1 ARG HB2 H . . . . 1 . HB# rr_6nm3 1
3 2 . 2 . 1 1 5 5 TRP HE1 H . . . . 5 . HE1 rr_6nm3 1
3 3 . 1 . 1 1 1 1 ARG HB3 H . . . . 1 . HB# rr_6nm3 1
3 3 . 2 . 1 1 5 5 TRP HE1 H . . . . 5 . HE1 rr_6nm3 1
4 2 . 1 . 1 1 1 1 ARG HB2 H . . . . 1 . HB# rr_6nm3 1
4 2 . 2 . 1 1 6 6 TRP HE1 H . . . . 6 . HE1 rr_6nm3 1
4 3 . 1 . 1 1 1 1 ARG HB3 H . . . . 1 . HB# rr_6nm3 1
4 3 . 2 . 1 1 6 6 TRP HE1 H . . . . 6 . HE1 rr_6nm3 1
5 2 . 1 . 1 1 2 2 LYS HG2 H . . . . 2 . HG# rr_6nm3 1
5 2 . 2 . 1 1 2 2 LYS HA H . . . . 2 . HA rr_6nm3 1
5 3 . 1 . 1 1 2 2 LYS HG3 H . . . . 2 . HG# rr_6nm3 1
5 3 . 2 . 1 1 2 2 LYS HA H . . . . 2 . HA rr_6nm3 1
6 2 . 1 . 1 1 2 2 LYS HD2 H . . . . 2 . HD# rr_6nm3 1
6 2 . 2 . 1 1 2 2 LYS HA H . . . . 2 . HA rr_6nm3 1
6 3 . 1 . 1 1 2 2 LYS HD3 H . . . . 2 . HD# rr_6nm3 1
6 3 . 2 . 1 1 2 2 LYS HA H . . . . 2 . HA rr_6nm3 1
7 1 . 1 . 1 1 2 2 LYS HA H . . . . 2 . HA rr_6nm3 1
7 1 . 2 . 1 1 3 3 ILE HB H . . . . 3 . HB rr_6nm3 1
8 1 . 1 . 1 1 2 2 LYS HA H . . . . 2 . HA rr_6nm3 1
8 1 . 2 . 1 1 3 3 ILE H H . . . . 3 . HN rr_6nm3 1
9 2 . 1 . 1 1 2 2 LYS HE2 H . . . . 2 . HE# rr_6nm3 1
9 2 . 2 . 1 1 4 4 TRP HE1 H . . . . 4 . HE1 rr_6nm3 1
9 3 . 1 . 1 1 2 2 LYS HE3 H . . . . 2 . HE# rr_6nm3 1
9 3 . 2 . 1 1 4 4 TRP HE1 H . . . . 4 . HE1 rr_6nm3 1
10 2 . 1 . 1 1 2 2 LYS HG2 H . . . . 2 . HG# rr_6nm3 1
10 2 . 2 . 1 1 4 4 TRP HZ2 H . . . . 4 . HZ2 rr_6nm3 1
10 3 . 1 . 1 1 2 2 LYS HG3 H . . . . 2 . HG# rr_6nm3 1
10 3 . 2 . 1 1 4 4 TRP HZ2 H . . . . 4 . HZ2 rr_6nm3 1
11 2 . 1 . 1 1 2 2 LYS HD2 H . . . . 2 . HD# rr_6nm3 1
11 2 . 2 . 1 1 4 4 TRP HZ2 H . . . . 4 . HZ2 rr_6nm3 1
11 3 . 1 . 1 1 2 2 LYS HD3 H . . . . 2 . HD# rr_6nm3 1
11 3 . 2 . 1 1 4 4 TRP HZ2 H . . . . 4 . HZ2 rr_6nm3 1
12 2 . 1 . 1 1 2 2 LYS HG2 H . . . . 2 . HG# rr_6nm3 1
12 2 . 2 . 1 1 4 4 TRP HE1 H . . . . 4 . HE1 rr_6nm3 1
12 3 . 1 . 1 1 2 2 LYS HG3 H . . . . 2 . HG# rr_6nm3 1
12 3 . 2 . 1 1 4 4 TRP HE1 H . . . . 4 . HE1 rr_6nm3 1
13 2 . 1 . 1 1 2 2 LYS HD2 H . . . . 2 . HD# rr_6nm3 1
13 2 . 2 . 1 1 4 4 TRP HE1 H . . . . 4 . HE1 rr_6nm3 1
13 3 . 1 . 1 1 2 2 LYS HD3 H . . . . 2 . HD# rr_6nm3 1
13 3 . 2 . 1 1 4 4 TRP HE1 H . . . . 4 . HE1 rr_6nm3 1
14 2 . 1 . 1 1 2 2 LYS HG2 H . . . . 2 . HG# rr_6nm3 1
14 2 . 2 . 1 1 5 5 TRP HE1 H . . . . 5 . HE1 rr_6nm3 1
14 3 . 1 . 1 1 2 2 LYS HG3 H . . . . 2 . HG# rr_6nm3 1
14 3 . 2 . 1 1 5 5 TRP HE1 H . . . . 5 . HE1 rr_6nm3 1
15 2 . 1 . 1 1 2 2 LYS HD2 H . . . . 2 . HD# rr_6nm3 1
15 2 . 2 . 1 1 5 5 TRP HE1 H . . . . 5 . HE1 rr_6nm3 1
15 3 . 1 . 1 1 2 2 LYS HD3 H . . . . 2 . HD# rr_6nm3 1
15 3 . 2 . 1 1 5 5 TRP HE1 H . . . . 5 . HE1 rr_6nm3 1
16 2 . 1 . 1 1 2 2 LYS HD2 H . . . . 2 . HD# rr_6nm3 1
16 2 . 2 . 1 1 5 5 TRP HD1 H . . . . 5 . HD1 rr_6nm3 1
16 3 . 1 . 1 1 2 2 LYS HD3 H . . . . 2 . HD# rr_6nm3 1
16 3 . 2 . 1 1 5 5 TRP HD1 H . . . . 5 . HD1 rr_6nm3 1
17 2 . 1 . 1 1 2 2 LYS HG2 H . . . . 2 . HG# rr_6nm3 1
17 2 . 2 . 1 1 6 6 TRP HE1 H . . . . 6 . HE1 rr_6nm3 1
17 3 . 1 . 1 1 2 2 LYS HG3 H . . . . 2 . HG# rr_6nm3 1
17 3 . 2 . 1 1 6 6 TRP HE1 H . . . . 6 . HE1 rr_6nm3 1
18 2 . 1 . 1 1 2 2 LYS HD2 H . . . . 2 . HD# rr_6nm3 1
18 2 . 2 . 1 1 6 6 TRP HE1 H . . . . 6 . HE1 rr_6nm3 1
18 3 . 1 . 1 1 2 2 LYS HD3 H . . . . 2 . HD# rr_6nm3 1
18 3 . 2 . 1 1 6 6 TRP HE1 H . . . . 6 . HE1 rr_6nm3 1
19 2 . 1 . 1 1 2 2 LYS HD2 H . . . . 2 . HD# rr_6nm3 1
19 2 . 2 . 1 1 7 7 TRP HE1 H . . . . 7 . HE1 rr_6nm3 1
19 3 . 1 . 1 1 2 2 LYS HD3 H . . . . 2 . HD# rr_6nm3 1
19 3 . 2 . 1 1 7 7 TRP HE1 H . . . . 7 . HE1 rr_6nm3 1
20 1 . 1 . 1 1 3 3 ILE MD H . . . . 3 . HD1# rr_6nm3 1
20 1 . 2 . 1 1 3 3 ILE H H . . . . 3 . HN rr_6nm3 1
21 1 . 1 . 1 1 3 3 ILE HG12 H . . . . 3 . HG12 rr_6nm3 1
21 1 . 2 . 1 1 3 3 ILE HA H . . . . 3 . HA rr_6nm3 1
22 1 . 1 . 1 1 3 3 ILE HG13 H . . . . 3 . HG11 rr_6nm3 1
22 1 . 2 . 1 1 3 3 ILE HA H . . . . 3 . HA rr_6nm3 1
23 1 . 1 . 1 1 3 3 ILE H H . . . . 3 . HN rr_6nm3 1
23 1 . 2 . 1 1 3 3 ILE HG12 H . . . . 3 . HG12 rr_6nm3 1
24 1 . 1 . 1 1 3 3 ILE H H . . . . 3 . HN rr_6nm3 1
24 1 . 2 . 1 1 3 3 ILE HG13 H . . . . 3 . HG11 rr_6nm3 1
25 1 . 1 . 1 1 3 3 ILE MG H . . . . 3 . HG2# rr_6nm3 1
25 1 . 2 . 1 1 3 3 ILE H H . . . . 3 . HN rr_6nm3 1
26 1 . 1 . 1 1 3 3 ILE H H . . . . 3 . HN rr_6nm3 1
26 1 . 2 . 1 1 3 3 ILE HB H . . . . 3 . HB rr_6nm3 1
27 1 . 1 . 1 1 3 3 ILE HG12 H . . . . 3 . HG12 rr_6nm3 1
27 1 . 2 . 1 1 4 4 TRP H H . . . . 4 . HN rr_6nm3 1
28 1 . 1 . 1 1 3 3 ILE HG12 H . . . . 3 . HG12 rr_6nm3 1
28 1 . 2 . 1 1 4 4 TRP HE1 H . . . . 4 . HE1 rr_6nm3 1
29 1 . 1 . 1 1 3 3 ILE HG13 H . . . . 3 . HG11 rr_6nm3 1
29 1 . 2 . 1 1 4 4 TRP H H . . . . 4 . HN rr_6nm3 1
30 1 . 1 . 1 1 3 3 ILE MG H . . . . 3 . HG2# rr_6nm3 1
30 1 . 2 . 1 1 4 4 TRP HE1 H . . . . 4 . HE1 rr_6nm3 1
31 1 . 1 . 1 1 3 3 ILE HB H . . . . 3 . HB rr_6nm3 1
31 1 . 2 . 1 1 4 4 TRP H H . . . . 4 . HN rr_6nm3 1
32 1 . 1 . 1 1 3 3 ILE H H . . . . 3 . HN rr_6nm3 1
32 1 . 2 . 1 1 4 4 TRP H H . . . . 4 . HN rr_6nm3 1
33 1 . 1 . 1 1 3 3 ILE MG H . . . . 3 . HG2# rr_6nm3 1
33 1 . 2 . 1 1 4 4 TRP HE1 H . . . . 4 . HE1 rr_6nm3 1
34 1 . 1 . 1 1 3 3 ILE MG H . . . . 3 . HG2# rr_6nm3 1
34 1 . 2 . 1 1 4 4 TRP HD1 H . . . . 4 . HD1 rr_6nm3 1
35 1 . 1 . 1 1 3 3 ILE MG H . . . . 3 . HG2# rr_6nm3 1
35 1 . 2 . 1 1 4 4 TRP H H . . . . 4 . HN rr_6nm3 1
36 1 . 1 . 1 1 3 3 ILE HA H . . . . 3 . HA rr_6nm3 1
36 1 . 2 . 1 1 4 4 TRP H H . . . . 4 . HN rr_6nm3 1
37 2 . 1 . 1 1 3 3 ILE HG13 H . . . . 3 . HG1# rr_6nm3 1
37 2 . 2 . 1 1 5 5 TRP HZ2 H . . . . 5 . HZ2 rr_6nm3 1
37 3 . 1 . 1 1 3 3 ILE HG12 H . . . . 3 . HG1# rr_6nm3 1
37 3 . 2 . 1 1 5 5 TRP HZ2 H . . . . 5 . HZ2 rr_6nm3 1
38 1 . 1 . 1 1 3 3 ILE MG H . . . . 3 . HG2# rr_6nm3 1
38 1 . 2 . 1 1 5 5 TRP HE1 H . . . . 5 . HE1 rr_6nm3 1
39 1 . 1 . 1 1 3 3 ILE HG12 H . . . . 3 . HG12 rr_6nm3 1
39 1 . 2 . 1 1 5 5 TRP HE1 H . . . . 5 . HE1 rr_6nm3 1
40 1 . 1 . 1 1 3 3 ILE MD H . . . . 3 . HD1# rr_6nm3 1
40 1 . 2 . 1 1 5 5 TRP HZ2 H . . . . 5 . HZ2 rr_6nm3 1
41 1 . 1 . 1 1 3 3 ILE MG H . . . . 3 . HG2# rr_6nm3 1
41 1 . 2 . 1 1 5 5 TRP HD1 H . . . . 5 . HD1 rr_6nm3 1
42 1 . 1 . 1 1 3 3 ILE MG H . . . . 3 . HG2# rr_6nm3 1
42 1 . 2 . 1 1 5 5 TRP HZ2 H . . . . 5 . HZ2 rr_6nm3 1
43 1 . 1 . 1 1 3 3 ILE MG H . . . . 3 . HG2# rr_6nm3 1
43 1 . 2 . 1 1 5 5 TRP H H . . . . 5 . HN rr_6nm3 1
44 1 . 1 . 1 1 3 3 ILE MG H . . . . 3 . HG2# rr_6nm3 1
44 1 . 2 . 1 1 5 5 TRP HE1 H . . . . 5 . HE1 rr_6nm3 1
45 2 . 1 . 1 1 3 3 ILE HG13 H . . . . 3 . HG1# rr_6nm3 1
45 2 . 2 . 1 1 6 6 TRP HE1 H . . . . 6 . HE1 rr_6nm3 1
45 3 . 1 . 1 1 3 3 ILE HG12 H . . . . 3 . HG1# rr_6nm3 1
45 3 . 2 . 1 1 6 6 TRP HE1 H . . . . 6 . HE1 rr_6nm3 1
46 1 . 1 . 1 1 3 3 ILE MD H . . . . 3 . HD1# rr_6nm3 1
46 1 . 2 . 1 1 6 6 TRP HZ2 H . . . . 6 . HZ2 rr_6nm3 1
47 1 . 1 . 1 1 3 3 ILE MG H . . . . 3 . HG2# rr_6nm3 1
47 1 . 2 . 1 1 6 6 TRP HZ2 H . . . . 6 . HZ2 rr_6nm3 1
48 1 . 1 . 1 1 3 3 ILE MG H . . . . 3 . HG2# rr_6nm3 1
48 1 . 2 . 1 1 6 6 TRP HD1 H . . . . 6 . HD1 rr_6nm3 1
49 1 . 1 . 1 1 3 3 ILE MG H . . . . 3 . HG2# rr_6nm3 1
49 1 . 2 . 1 1 6 6 TRP HE1 H . . . . 6 . HE1 rr_6nm3 1
50 2 . 1 . 1 1 3 3 ILE HG13 H . . . . 3 . HG1# rr_6nm3 1
50 2 . 2 . 1 1 7 7 TRP HE1 H . . . . 7 . HE1 rr_6nm3 1
50 3 . 1 . 1 1 3 3 ILE HG12 H . . . . 3 . HG1# rr_6nm3 1
50 3 . 2 . 1 1 7 7 TRP HE1 H . . . . 7 . HE1 rr_6nm3 1
51 1 . 1 . 1 1 3 3 ILE MG H . . . . 3 . HG2# rr_6nm3 1
51 1 . 2 . 1 1 7 7 TRP HE1 H . . . . 7 . HE1 rr_6nm3 1
52 1 . 1 . 1 1 4 4 TRP HB3 H . . . . 4 . HB1 rr_6nm3 1
52 1 . 2 . 1 1 4 4 TRP HE1 H . . . . 4 . HE1 rr_6nm3 1
53 1 . 1 . 1 1 4 4 TRP H H . . . . 4 . HN rr_6nm3 1
53 1 . 2 . 1 1 4 4 TRP HE3 H . . . . 4 . HE3 rr_6nm3 1
54 1 . 1 . 1 1 4 4 TRP HB2 H . . . . 4 . HB2 rr_6nm3 1
54 1 . 2 . 1 1 4 4 TRP HE1 H . . . . 4 . HE1 rr_6nm3 1
55 1 . 1 . 1 1 4 4 TRP H H . . . . 4 . HN rr_6nm3 1
55 1 . 2 . 1 1 4 4 TRP HB3 H . . . . 4 . HB1 rr_6nm3 1
56 1 . 1 . 1 1 4 4 TRP H H . . . . 4 . HN rr_6nm3 1
56 1 . 2 . 1 1 4 4 TRP HB2 H . . . . 4 . HB2 rr_6nm3 1
57 1 . 1 . 1 1 4 4 TRP HZ3 H . . . . 4 . HZ3 rr_6nm3 1
57 1 . 2 . 1 1 4 4 TRP HA H . . . . 4 . HA rr_6nm3 1
58 1 . 1 . 1 1 4 4 TRP HB3 H . . . . 4 . HB1 rr_6nm3 1
58 1 . 2 . 1 1 4 4 TRP HD1 H . . . . 4 . HD1 rr_6nm3 1
59 2 . 1 . 1 1 4 4 TRP HE1 H . . . . 4 . HE1 rr_6nm3 1
59 2 . 2 . 1 1 4 4 TRP HB3 H . . . . 4 . HB# rr_6nm3 1
59 3 . 1 . 1 1 4 4 TRP HE1 H . . . . 4 . HE1 rr_6nm3 1
59 3 . 2 . 1 1 4 4 TRP HB2 H . . . . 4 . HB# rr_6nm3 1
60 1 . 1 . 1 1 4 4 TRP HB2 H . . . . 4 . HB2 rr_6nm3 1
60 1 . 2 . 1 1 4 4 TRP HD1 H . . . . 4 . HD1 rr_6nm3 1
61 1 . 1 . 1 1 4 4 TRP HE1 H . . . . 4 . HE1 rr_6nm3 1
61 1 . 2 . 1 1 5 5 TRP HD1 H . . . . 5 . HD1 rr_6nm3 1
62 1 . 1 . 1 1 4 4 TRP HB2 H . . . . 4 . HB2 rr_6nm3 1
62 1 . 2 . 1 1 5 5 TRP HE3 H . . . . 5 . HE3 rr_6nm3 1
63 1 . 1 . 1 1 4 4 TRP HB3 H . . . . 4 . HB1 rr_6nm3 1
63 1 . 2 . 1 1 5 5 TRP H H . . . . 5 . HN rr_6nm3 1
64 1 . 1 . 1 1 4 4 TRP H H . . . . 4 . HN rr_6nm3 1
64 1 . 2 . 1 1 5 5 TRP H H . . . . 5 . HN rr_6nm3 1
65 1 . 1 . 1 1 4 4 TRP HB2 H . . . . 4 . HB2 rr_6nm3 1
65 1 . 2 . 1 1 5 5 TRP H H . . . . 5 . HN rr_6nm3 1
66 1 . 1 . 1 1 4 4 TRP HA H . . . . 4 . HA rr_6nm3 1
66 1 . 2 . 1 1 5 5 TRP H H . . . . 5 . HN rr_6nm3 1
67 1 . 1 . 1 1 4 4 TRP HA H . . . . 4 . HA rr_6nm3 1
67 1 . 2 . 1 1 6 6 TRP HE1 H . . . . 6 . HE1 rr_6nm3 1
68 1 . 1 . 1 1 4 4 TRP HE3 H . . . . 4 . HE3 rr_6nm3 1
68 1 . 2 . 1 1 8 8 LEU MD1 H . . . . 8 . HD1# rr_6nm3 1
69 1 . 1 . 1 1 4 4 TRP HZ3 H . . . . 4 . HZ3 rr_6nm3 1
69 1 . 2 . 1 1 8 8 LEU MD1 H . . . . 8 . HD1# rr_6nm3 1
70 1 . 1 . 1 1 4 4 TRP HZ2 H . . . . 4 . HZ2 rr_6nm3 1
70 1 . 2 . 1 1 8 8 LEU MD2 H . . . . 8 . HD2# rr_6nm3 1
71 1 . 1 . 1 1 4 4 TRP H H . . . . 4 . HN rr_6nm3 1
71 1 . 2 . 1 1 4 4 TRP HD1 H . . . . 4 . HD1 rr_6nm3 1
72 1 . 1 . 1 1 5 5 TRP HB2 H . . . . 5 . HB2 rr_6nm3 1
72 1 . 2 . 1 1 5 5 TRP HE3 H . . . . 5 . HE3 rr_6nm3 1
73 1 . 1 . 1 1 5 5 TRP HB3 H . . . . 5 . HB1 rr_6nm3 1
73 1 . 2 . 1 1 5 5 TRP HE3 H . . . . 5 . HE3 rr_6nm3 1
74 1 . 1 . 1 1 5 5 TRP HA H . . . . 5 . HA rr_6nm3 1
74 1 . 2 . 1 1 5 5 TRP HD1 H . . . . 5 . HD1 rr_6nm3 1
75 1 . 1 . 1 1 5 5 TRP H H . . . . 5 . HN rr_6nm3 1
75 1 . 2 . 1 1 5 5 TRP HB3 H . . . . 5 . HB1 rr_6nm3 1
76 1 . 1 . 1 1 5 5 TRP HB3 H . . . . 5 . HB1 rr_6nm3 1
76 1 . 2 . 1 1 5 5 TRP HD1 H . . . . 5 . HD1 rr_6nm3 1
77 1 . 1 . 1 1 5 5 TRP HB2 H . . . . 5 . HB2 rr_6nm3 1
77 1 . 2 . 1 1 5 5 TRP HD1 H . . . . 5 . HD1 rr_6nm3 1
78 1 . 1 . 1 1 5 5 TRP HE3 H . . . . 5 . HE3 rr_6nm3 1
78 1 . 2 . 1 1 5 5 TRP HA H . . . . 5 . HA rr_6nm3 1
79 2 . 1 . 1 1 5 5 TRP HE1 H . . . . 5 . HE1 rr_6nm3 1
79 2 . 2 . 1 1 6 6 TRP HB3 H . . . . 6 . HB# rr_6nm3 1
79 3 . 1 . 1 1 5 5 TRP HE1 H . . . . 5 . HE1 rr_6nm3 1
79 3 . 2 . 1 1 6 6 TRP HB2 H . . . . 6 . HB# rr_6nm3 1
80 1 . 1 . 1 1 5 5 TRP HB2 H . . . . 5 . HB2 rr_6nm3 1
80 1 . 2 . 1 1 6 6 TRP H H . . . . 6 . HN rr_6nm3 1
81 1 . 1 . 1 1 5 5 TRP HB3 H . . . . 5 . HB1 rr_6nm3 1
81 1 . 2 . 1 1 6 6 TRP H H . . . . 6 . HN rr_6nm3 1
82 1 . 1 . 1 1 5 5 TRP HA H . . . . 5 . HA rr_6nm3 1
82 1 . 2 . 1 1 6 6 TRP H H . . . . 6 . HN rr_6nm3 1
83 1 . 1 . 1 1 5 5 TRP HB2 H . . . . 5 . HB2 rr_6nm3 1
83 1 . 2 . 1 1 7 7 TRP HE1 H . . . . 7 . HE1 rr_6nm3 1
84 1 . 1 . 1 1 5 5 TRP HA H . . . . 5 . HA rr_6nm3 1
84 1 . 2 . 1 1 7 7 TRP HE1 H . . . . 7 . HE1 rr_6nm3 1
85 1 . 1 . 1 1 5 5 TRP HD1 H . . . . 5 . HD1 rr_6nm3 1
85 1 . 2 . 1 1 8 8 LEU MD1 H . . . . 8 . HD1# rr_6nm3 1
86 1 . 1 . 1 1 5 5 TRP HE3 H . . . . 5 . HE3 rr_6nm3 1
86 1 . 2 . 1 1 8 8 LEU MD1 H . . . . 8 . HD1# rr_6nm3 1
87 1 . 1 . 1 1 6 6 TRP HA H . . . . 6 . HA rr_6nm3 1
87 1 . 2 . 1 1 6 6 TRP HE1 H . . . . 6 . HE1 rr_6nm3 1
88 1 . 1 . 1 1 6 6 TRP HB2 H . . . . 6 . HB2 rr_6nm3 1
88 1 . 2 . 1 1 6 6 TRP HE1 H . . . . 6 . HE1 rr_6nm3 1
89 1 . 1 . 1 1 6 6 TRP HB3 H . . . . 6 . HB1 rr_6nm3 1
89 1 . 2 . 1 1 6 6 TRP HE1 H . . . . 6 . HE1 rr_6nm3 1
90 1 . 1 . 1 1 6 6 TRP HA H . . . . 6 . HA rr_6nm3 1
90 1 . 2 . 1 1 6 6 TRP HD1 H . . . . 6 . HD1 rr_6nm3 1
91 1 . 1 . 1 1 6 6 TRP HB2 H . . . . 6 . HB2 rr_6nm3 1
91 1 . 2 . 1 1 6 6 TRP HD1 H . . . . 6 . HD1 rr_6nm3 1
92 1 . 1 . 1 1 6 6 TRP HE1 H . . . . 6 . HE1 rr_6nm3 1
92 1 . 2 . 1 1 6 6 TRP HB2 H . . . . 6 . HB2 rr_6nm3 1
93 1 . 1 . 1 1 6 6 TRP HB3 H . . . . 6 . HB1 rr_6nm3 1
93 1 . 2 . 1 1 6 6 TRP HD1 H . . . . 6 . HD1 rr_6nm3 1
94 1 . 1 . 1 1 6 6 TRP HE1 H . . . . 6 . HE1 rr_6nm3 1
94 1 . 2 . 1 1 6 6 TRP HA H . . . . 6 . HA rr_6nm3 1
95 1 . 1 . 1 1 6 6 TRP HE1 H . . . . 6 . HE1 rr_6nm3 1
95 1 . 2 . 1 1 6 6 TRP HB3 H . . . . 6 . HB1 rr_6nm3 1
96 1 . 1 . 1 1 6 6 TRP HE1 H . . . . 6 . HE1 rr_6nm3 1
96 1 . 2 . 1 1 7 7 TRP HD1 H . . . . 7 . HD1 rr_6nm3 1
97 1 . 1 . 1 1 6 6 TRP HB2 H . . . . 6 . HB2 rr_6nm3 1
97 1 . 2 . 1 1 7 7 TRP H H . . . . 7 . HN rr_6nm3 1
98 1 . 1 . 1 1 6 6 TRP HA H . . . . 6 . HA rr_6nm3 1
98 1 . 2 . 1 1 7 7 TRP H H . . . . 7 . HN rr_6nm3 1
99 1 . 1 . 1 1 6 6 TRP HE3 H . . . . 6 . HE3 rr_6nm3 1
99 1 . 2 . 1 1 8 8 LEU MD2 H . . . . 8 . HD2# rr_6nm3 1
100 1 . 1 . 1 1 7 7 TRP HB2 H . . . . 7 . HB2 rr_6nm3 1
100 1 . 2 . 1 1 7 7 TRP HE1 H . . . . 7 . HE1 rr_6nm3 1
101 1 . 1 . 1 1 7 7 TRP HB3 H . . . . 7 . HB1 rr_6nm3 1
101 1 . 2 . 1 1 7 7 TRP HE1 H . . . . 7 . HE1 rr_6nm3 1
102 1 . 1 . 1 1 7 7 TRP H H . . . . 7 . HN rr_6nm3 1
102 1 . 2 . 1 1 7 7 TRP HB2 H . . . . 7 . HB2 rr_6nm3 1
103 1 . 1 . 1 1 7 7 TRP H H . . . . 7 . HN rr_6nm3 1
103 1 . 2 . 1 1 7 7 TRP HB3 H . . . . 7 . HB1 rr_6nm3 1
104 1 . 1 . 1 1 7 7 TRP HA H . . . . 7 . HA rr_6nm3 1
104 1 . 2 . 1 1 7 7 TRP HD1 H . . . . 7 . HD1 rr_6nm3 1
105 1 . 1 . 1 1 7 7 TRP HE3 H . . . . 7 . HE3 rr_6nm3 1
105 1 . 2 . 1 1 7 7 TRP HB2 H . . . . 7 . HB2 rr_6nm3 1
106 1 . 1 . 1 1 7 7 TRP HE3 H . . . . 7 . HE3 rr_6nm3 1
106 1 . 2 . 1 1 7 7 TRP HA H . . . . 7 . HA rr_6nm3 1
107 1 . 1 . 1 1 7 7 TRP HB3 H . . . . 7 . HB1 rr_6nm3 1
107 1 . 2 . 1 1 7 7 TRP HD1 H . . . . 7 . HD1 rr_6nm3 1
108 1 . 1 . 1 1 7 7 TRP HB2 H . . . . 7 . HB2 rr_6nm3 1
108 1 . 2 . 1 1 7 7 TRP HD1 H . . . . 7 . HD1 rr_6nm3 1
109 1 . 1 . 1 1 7 7 TRP HD1 H . . . . 7 . HD1 rr_6nm3 1
109 1 . 2 . 1 1 8 8 LEU HG H . . . . 8 . HG rr_6nm3 1
110 1 . 1 . 1 1 7 7 TRP HE3 H . . . . 7 . HE3 rr_6nm3 1
110 1 . 2 . 1 1 8 8 LEU HA H . . . . 8 . HA rr_6nm3 1
111 1 . 1 . 1 1 7 7 TRP HE3 H . . . . 7 . HE3 rr_6nm3 1
111 1 . 2 . 1 1 8 8 LEU HG H . . . . 8 . HG rr_6nm3 1
112 1 . 1 . 1 1 7 7 TRP HE1 H . . . . 7 . HE1 rr_6nm3 1
112 1 . 2 . 1 1 8 8 LEU HG H . . . . 8 . HG rr_6nm3 1
113 1 . 1 . 1 1 7 7 TRP HE3 H . . . . 7 . HE3 rr_6nm3 1
113 1 . 2 . 1 1 8 8 LEU MD2 H . . . . 8 . HD2# rr_6nm3 1
114 1 . 1 . 1 1 7 7 TRP HE1 H . . . . 7 . HE1 rr_6nm3 1
114 1 . 2 . 1 1 8 8 LEU MD2 H . . . . 8 . HD2# rr_6nm3 1
115 1 . 1 . 1 1 7 7 TRP HH2 H . . . . 7 . HH2 rr_6nm3 1
115 1 . 2 . 1 1 8 8 LEU MD2 H . . . . 8 . HD2# rr_6nm3 1
116 1 . 1 . 1 1 7 7 TRP HD1 H . . . . 7 . HD1 rr_6nm3 1
116 1 . 2 . 1 1 8 8 LEU MD2 H . . . . 8 . HD2# rr_6nm3 1
117 1 . 1 . 1 1 7 7 TRP HZ3 H . . . . 7 . HZ3 rr_6nm3 1
117 1 . 2 . 1 1 8 8 LEU MD2 H . . . . 8 . HD2# rr_6nm3 1
118 1 . 1 . 1 1 7 7 TRP HH2 H . . . . 7 . HH2 rr_6nm3 1
118 1 . 2 . 1 1 8 8 LEU HA H . . . . 8 . HA rr_6nm3 1
119 1 . 1 . 1 1 7 7 TRP HA H . . . . 7 . HA rr_6nm3 1
119 1 . 2 . 1 1 8 8 LEU H H . . . . 8 . HN rr_6nm3 1
120 1 . 1 . 1 1 8 8 LEU HG H . . . . 8 . HG rr_6nm3 1
120 1 . 2 . 1 1 8 8 LEU HA H . . . . 8 . HA rr_6nm3 1
121 1 . 1 . 1 1 8 8 LEU MD1 H . . . . 8 . HD1# rr_6nm3 1
121 1 . 2 . 1 1 8 8 LEU H H . . . . 8 . HN rr_6nm3 1
122 1 . 1 . 1 1 8 8 LEU MD2 H . . . . 8 . HD2# rr_6nm3 1
122 1 . 2 . 1 1 8 8 LEU HA H . . . . 8 . HA rr_6nm3 1
123 1 . 1 . 1 1 8 8 LEU H H . . . . 8 . HN rr_6nm3 1
123 1 . 2 . 1 1 8 8 LEU HG H . . . . 8 . HG rr_6nm3 1
124 2 . 1 . 1 1 8 8 LEU H H . . . . 8 . HN rr_6nm3 1
124 2 . 2 . 1 1 8 8 LEU HB2 H . . . . 8 . HB# rr_6nm3 1
124 3 . 1 . 1 1 8 8 LEU H H . . . . 8 . HN rr_6nm3 1
124 3 . 2 . 1 1 8 8 LEU HB3 H . . . . 8 . HB# rr_6nm3 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 2 . . . . . . 3.0 1.8 4.3 rr_6nm3 1
1 3 . . . . . . 3.0 1.8 4.3 rr_6nm3 1
1 4 . . . . . . 3.0 1.8 4.3 rr_6nm3 1
1 5 . . . . . . 3.0 1.8 4.3 rr_6nm3 1
2 2 . . . . . . 4.0 1.8 5.5 rr_6nm3 1
2 3 . . . . . . 4.0 1.8 5.5 rr_6nm3 1
3 2 . . . . . . 4.0 1.8 6.5 rr_6nm3 1
3 3 . . . . . . 4.0 1.8 6.5 rr_6nm3 1
4 2 . . . . . . 4.0 1.8 7.5 rr_6nm3 1
4 3 . . . . . . 4.0 1.8 7.5 rr_6nm3 1
5 2 . . . . . . 4.0 1.8 6.0 rr_6nm3 1
5 3 . . . . . . 4.0 1.8 6.0 rr_6nm3 1
6 2 . . . . . . 3.0 1.8 4.8 rr_6nm3 1
6 3 . . . . . . 3.0 1.8 4.8 rr_6nm3 1
7 1 . . . . . . 4.0 1.8 6.0 rr_6nm3 1
8 1 . . . . . . 3.0 2.0 3.8 rr_6nm3 1
9 2 . . . . . . 4.0 1.8 6.5 rr_6nm3 1
9 3 . . . . . . 4.0 1.8 6.5 rr_6nm3 1
10 2 . . . . . . 4.0 1.8 7.0 rr_6nm3 1
10 3 . . . . . . 4.0 1.8 7.0 rr_6nm3 1
11 2 . . . . . . 4.0 1.8 6.5 rr_6nm3 1
11 3 . . . . . . 4.0 1.8 6.5 rr_6nm3 1
12 2 . . . . . . 4.0 1.8 6.5 rr_6nm3 1
12 3 . . . . . . 4.0 1.8 6.5 rr_6nm3 1
13 2 . . . . . . 4.0 1.8 6.5 rr_6nm3 1
13 3 . . . . . . 4.0 1.8 6.5 rr_6nm3 1
14 2 . . . . . . 4.0 1.8 6.5 rr_6nm3 1
14 3 . . . . . . 4.0 1.8 6.5 rr_6nm3 1
15 2 . . . . . . 4.0 1.8 6.5 rr_6nm3 1
15 3 . . . . . . 4.0 1.8 6.5 rr_6nm3 1
16 2 . . . . . . 4.0 1.8 7.0 rr_6nm3 1
16 3 . . . . . . 4.0 1.8 7.0 rr_6nm3 1
17 2 . . . . . . 4.0 1.8 6.5 rr_6nm3 1
17 3 . . . . . . 4.0 1.8 6.5 rr_6nm3 1
18 2 . . . . . . 4.0 1.8 6.5 rr_6nm3 1
18 3 . . . . . . 4.0 1.8 6.5 rr_6nm3 1
19 2 . . . . . . 4.0 1.8 7.0 rr_6nm3 1
19 3 . . . . . . 4.0 1.8 7.0 rr_6nm3 1
20 1 . . . . . . 4.0 1.8 6.5 rr_6nm3 1
21 1 . . . . . . 4.0 1.8 5.0 rr_6nm3 1
22 1 . . . . . . 4.0 1.8 5.0 rr_6nm3 1
23 1 . . . . . . 4.0 1.8 5.0 rr_6nm3 1
24 1 . . . . . . 4.0 1.8 5.0 rr_6nm3 1
25 1 . . . . . . 4.0 1.8 6.5 rr_6nm3 1
26 1 . . . . . . 3.0 1.8 3.8 rr_6nm3 1
27 1 . . . . . . 4.0 1.8 6.0 rr_6nm3 1
28 1 . . . . . . 4.0 1.8 5.0 rr_6nm3 1
29 1 . . . . . . 4.0 1.8 5.0 rr_6nm3 1
30 1 . . . . . . 4.0 1.8 6.5 rr_6nm3 1
31 1 . . . . . . 4.0 1.8 5.0 rr_6nm3 1
32 1 . . . . . . 4.0 1.8 5.0 rr_6nm3 1
33 1 . . . . . . 4.0 1.8 6.5 rr_6nm3 1
34 1 . . . . . . 4.0 1.8 6.5 rr_6nm3 1
35 1 . . . . . . 4.0 1.8 6.5 rr_6nm3 1
36 1 . . . . . . 3.0 1.8 3.8 rr_6nm3 1
37 2 . . . . . . 4.0 1.8 7.0 rr_6nm3 1
37 3 . . . . . . 4.0 1.8 7.0 rr_6nm3 1
38 1 . . . . . . 4.0 1.8 6.5 rr_6nm3 1
39 1 . . . . . . 4.0 1.8 5.0 rr_6nm3 1
40 1 . . . . . . 4.0 1.8 8.0 rr_6nm3 1
41 1 . . . . . . 4.0 1.8 6.5 rr_6nm3 1
42 1 . . . . . . 4.0 1.8 6.5 rr_6nm3 1
43 1 . . . . . . 4.0 1.8 6.5 rr_6nm3 1
44 1 . . . . . . 4.0 1.8 6.5 rr_6nm3 1
45 2 . . . . . . 4.0 1.8 7.0 rr_6nm3 1
45 3 . . . . . . 4.0 1.8 7.0 rr_6nm3 1
46 1 . . . . . . 4.0 1.8 6.5 rr_6nm3 1
47 1 . . . . . . 4.0 1.8 6.5 rr_6nm3 1
48 1 . . . . . . 4.0 1.8 7.5 rr_6nm3 1
49 1 . . . . . . 4.0 1.8 6.5 rr_6nm3 1
50 2 . . . . . . 4.0 1.8 7.0 rr_6nm3 1
50 3 . . . . . . 4.0 1.8 7.0 rr_6nm3 1
51 1 . . . . . . 4.0 1.8 6.5 rr_6nm3 1
52 1 . . . . . . 4.0 1.8 6.0 rr_6nm3 1
53 1 . . . . . . 4.0 1.8 6.0 rr_6nm3 1
54 1 . . . . . . 4.0 1.8 5.0 rr_6nm3 1
55 1 . . . . . . 4.0 1.8 5.0 rr_6nm3 1
56 1 . . . . . . 4.0 1.8 5.0 rr_6nm3 1
57 1 . . . . . . 4.0 1.8 5.0 rr_6nm3 1
58 1 . . . . . . 3.0 1.8 3.8 rr_6nm3 1
59 2 . . . . . . 4.0 1.8 6.0 rr_6nm3 1
59 3 . . . . . . 4.0 1.8 6.0 rr_6nm3 1
60 1 . . . . . . 2.5 1.8 2.8 rr_6nm3 1
61 1 . . . . . . 4.0 1.8 7.0 rr_6nm3 1
62 1 . . . . . . 4.0 1.8 5.0 rr_6nm3 1
63 1 . . . . . . 4.0 1.8 5.0 rr_6nm3 1
64 1 . . . . . . 3.0 1.8 4.3 rr_6nm3 1
65 1 . . . . . . 4.0 1.8 5.0 rr_6nm3 1
66 1 . . . . . . 4.0 1.8 5.0 rr_6nm3 1
67 1 . . . . . . 4.0 1.8 6.0 rr_6nm3 1
68 1 . . . . . . 4.0 1.8 6.5 rr_6nm3 1
69 1 . . . . . . 4.0 1.8 6.5 rr_6nm3 1
70 1 . . . . . . 4.0 1.8 7.5 rr_6nm3 1
71 1 . . . . . . 4.0 1.8 5.0 rr_6nm3 1
72 1 . . . . . . 4.0 1.8 5.0 rr_6nm3 1
73 1 . . . . . . 4.0 1.8 5.0 rr_6nm3 1
74 1 . . . . . . 4.0 1.8 5.0 rr_6nm3 1
75 1 . . . . . . 4.0 1.8 5.0 rr_6nm3 1
76 1 . . . . . . 4.0 1.8 5.0 rr_6nm3 1
77 1 . . . . . . 3.0 1.8 3.8 rr_6nm3 1
78 1 . . . . . . 4.0 1.8 5.0 rr_6nm3 1
79 2 . . . . . . 4.0 1.8 7.0 rr_6nm3 1
79 3 . . . . . . 4.0 1.8 7.0 rr_6nm3 1
80 1 . . . . . . 4.0 1.8 5.0 rr_6nm3 1
81 1 . . . . . . 3.0 1.8 3.5 rr_6nm3 1
82 1 . . . . . . 3.0 1.8 3.5 rr_6nm3 1
83 1 . . . . . . 4.0 1.8 6.0 rr_6nm3 1
84 1 . . . . . . 4.0 1.8 6.0 rr_6nm3 1
85 1 . . . . . . 4.0 1.8 5.5 rr_6nm3 1
86 1 . . . . . . 4.0 1.8 7.5 rr_6nm3 1
87 1 . . . . . . 4.0 1.8 6.0 rr_6nm3 1
88 1 . . . . . . 4.0 1.8 5.0 rr_6nm3 1
89 1 . . . . . . 4.0 1.8 5.0 rr_6nm3 1
90 1 . . . . . . 4.0 1.8 5.0 rr_6nm3 1
91 1 . . . . . . 4.0 1.8 6.0 rr_6nm3 1
92 1 . . . . . . 4.0 1.8 6.0 rr_6nm3 1
93 1 . . . . . . 4.0 1.8 6.0 rr_6nm3 1
94 1 . . . . . . 4.0 1.8 6.0 rr_6nm3 1
95 1 . . . . . . 4.0 1.8 6.0 rr_6nm3 1
96 1 . . . . . . 4.0 1.8 6.0 rr_6nm3 1
97 1 . . . . . . 4.0 1.8 6.0 rr_6nm3 1
98 1 . . . . . . 4.0 1.8 5.0 rr_6nm3 1
99 1 . . . . . . 4.0 1.8 7.0 rr_6nm3 1
100 1 . . . . . . 4.0 1.8 5.0 rr_6nm3 1
101 1 . . . . . . 4.0 1.8 5.0 rr_6nm3 1
102 1 . . . . . . 4.0 1.8 5.0 rr_6nm3 1
103 1 . . . . . . 4.0 1.8 5.0 rr_6nm3 1
104 1 . . . . . . 4.0 1.8 5.0 rr_6nm3 1
105 1 . . . . . . 4.0 1.8 5.0 rr_6nm3 1
106 1 . . . . . . 4.0 1.8 7.0 rr_6nm3 1
107 1 . . . . . . 3.0 1.8 3.8 rr_6nm3 1
108 1 . . . . . . 3.0 1.8 3.8 rr_6nm3 1
109 1 . . . . . . 4.0 1.8 5.0 rr_6nm3 1
110 1 . . . . . . 4.0 1.8 5.0 rr_6nm3 1
111 1 . . . . . . 4.0 1.8 5.0 rr_6nm3 1
112 1 . . . . . . 4.0 1.8 6.0 rr_6nm3 1
113 1 . . . . . . 4.0 1.8 5.5 rr_6nm3 1
114 1 . . . . . . 4.0 1.8 6.5 rr_6nm3 1
115 1 . . . . . . 4.0 1.8 5.5 rr_6nm3 1
116 1 . . . . . . 4.0 1.8 6.5 rr_6nm3 1
117 1 . . . . . . 4.0 1.8 5.5 rr_6nm3 1
118 1 . . . . . . 4.0 1.8 5.0 rr_6nm3 1
119 1 . . . . . . 4.0 1.8 5.0 rr_6nm3 1
120 1 . . . . . . 4.0 1.8 5.0 rr_6nm3 1
121 1 . . . . . . 4.0 1.8 5.5 rr_6nm3 1
122 1 . . . . . . 4.0 1.8 5.5 rr_6nm3 1
123 1 . . . . . . 3.0 1.8 3.5 rr_6nm3 1
124 2 . . . . . . 3.0 1.8 4.8 rr_6nm3 1
124 3 . . . . . . 3.0 1.8 4.8 rr_6nm3 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: ww295_restraints_12202018comb.tbl" 1 1 1 54 rr_6nm3 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
;pck2xplr.nawk Table; Input File: noe_f_11102017.sort
Date: Fri Nov 10 16:59:12 EST 2017
Path: /hbar1/gswang/D295/D295_noeZ @ BEGIN_XPLR_PCK_SUM
LBL File-Name All Intra Seq. Short Long
A noe_f_11102017.sort 133 58 37 36 2
Total 133 58 37 36 2
@ END_XPLR_PCK_SUM
@ BEGIN_XPLR_NOE_FILE 1
;
2 1 14 4 rr_6nm3 1
2 "A.278 at 2.66e+07" 15 77 15 97 rr_6nm3 1
3 "A.34 at 3.26e+06" 16 77 16 97 rr_6nm3 1
4 "A.44 at 2.43e+06" 17 77 17 97 rr_6nm3 1
5
;A.45 at 2.13e+06
2
;
18 77 20 4 rr_6nm3 1
6 "A.274 at 7.25e+06" 21 77 21 97 rr_6nm3 1
7 "A.269 at 3.38e+07" 22 77 22 97 rr_6nm3 1
8 "A.277 at 2.44e+06" 23 77 23 97 rr_6nm3 1
9 "A.69 at 7.11e+07" 24 77 24 97 rr_6nm3 1
10 "A.24 at 2.30e+06" 25 77 25 97 rr_6nm3 1
11 "A.337 at 2.95e+06" 26 77 26 97 rr_6nm3 1
12 "A.336 at 5.87e+06" 27 77 27 97 rr_6nm3 1
13 "A.318 at 6.05e+06" 28 77 28 97 rr_6nm3 1
14 "A.314 at 1.00e+07" 29 77 29 97 rr_6nm3 1
15 "A.319 at 5.07e+06" 30 77 30 97 rr_6nm3 1
16 "A.315 at 6.74e+06" 31 77 31 97 rr_6nm3 1
17 "A.228 at 7.57e+06" 32 77 32 97 rr_6nm3 1
18 "A.320 at 3.84e+06" 33 77 33 97 rr_6nm3 1
19 "A.317 at 4.52e+06" 34 77 34 97 rr_6nm3 1
20
;A.316 at 4.62e+06
3
;
35 77 37 4 rr_6nm3 1
21 "A.144 at 4.96e+06" 38 77 38 97 rr_6nm3 1
22 "A.272 at 5.18e+06" 39 77 39 97 rr_6nm3 1
23 "A.271 at 6.33e+06" 40 77 40 97 rr_6nm3 1
24 "A.142 at 1.45e+07" 41 77 41 97 rr_6nm3 1
25 "A.141 at 1.70e+07" 42 77 42 97 rr_6nm3 1
26 "A.145 at 1.70e+07" 43 77 43 97 rr_6nm3 1
27 "A.140 at 3.66e+07" 44 77 44 97 rr_6nm3 1
28 "A.332 at 2.08e+06" 45 77 45 97 rr_6nm3 1
29 "A.38 at 3.25e+06" 46 77 46 97 rr_6nm3 1
30 "A.331 at 3.30e+06" 47 77 47 97 rr_6nm3 1
31 "A.308 at 5.04e+06" 48 77 48 97 rr_6nm3 1
32 "A.146 at 7.07e+06" 49 77 49 97 rr_6nm3 1
33 "A.50 at 7.34e+06" 50 77 50 97 rr_6nm3 1
34 "A.156 at 1.01e+07" 51 78 51 98 rr_6nm3 1
35 "A.199 at 1.03e+07" 52 77 52 97 rr_6nm3 1
36 "A.149 at 1.05e+07" 53 77 53 97 rr_6nm3 1
37 "2.5 0.7 0.4 ! A.72 at 4.14e+07" 54 77 54 112 rr_6nm3 1
38 "A.232 at 2.29e+06" 55 78 55 98 rr_6nm3 1
39 "A.175 at 2.82e+06" 56 78 56 98 rr_6nm3 1
40 "A.46 at 3.57e+06" 57 77 57 97 rr_6nm3 1
41 "A.160 at 5.78e+06" 58 77 58 97 rr_6nm3 1
42 "A.215 at 7.81e+06" 59 77 59 97 rr_6nm3 1
43 "A.161 at 9.01e+06" 60 77 60 97 rr_6nm3 1
44 "A.242 at 1.03e+07" 61 77 61 97 rr_6nm3 1
45 "A.306 at 1.23e+07" 62 77 62 97 rr_6nm3 1
46 "A.47 at 2.72e+06" 63 77 63 97 rr_6nm3 1
47 "A.344 at 3.49e+06" 64 77 64 97 rr_6nm3 1
48 "A.307 at 4.48e+06" 65 77 65 97 rr_6nm3 1
49 "A.214 at 4.94e+06" 66 77 66 97 rr_6nm3 1
50 "A.322 at 5.70e+06" 67 78 67 98 rr_6nm3 1
51 "A.48 at 2.67e+06" 68 77 68 97 rr_6nm3 1
52
;A.309 at 4.00e+06
4
;
69 77 71 4 rr_6nm3 1
53 "A.22 at 2.61e+06" 72 77 72 97 rr_6nm3 1
54 "A.301 at 4.44e+06" 73 78 73 98 rr_6nm3 1
55 "A.23 at 4.91e+06" 74 77 74 97 rr_6nm3 1
56 "A.94 at 1.32e+07" 75 77 75 97 rr_6nm3 1
57 "A.95 at 1.43e+07" 76 77 76 97 rr_6nm3 1
58 "A.81 at 2.06e+07" 77 78 77 98 rr_6nm3 1
59 "A.117 at 2.49e+07" 78 77 78 97 rr_6nm3 1
60 "A.96 at 2.84e+07" 79 78 79 98 rr_6nm3 1
61 "A.118 at 3.82e+07" 80 77 80 97 rr_6nm3 1
62 "A.338 at 3.74e+06" 81 77 81 97 rr_6nm3 1
63 "A.184 at 5.79e+06" 82 78 82 98 rr_6nm3 1
64 "A.125 at 6.77e+06" 83 77 83 97 rr_6nm3 1
65 "A.57 at 9.93e+06" 84 77 84 97 rr_6nm3 1
66 "A.127 at 1.56e+07" 85 77 85 97 rr_6nm3 1
67 "A.87 at 1.93e+07" 86 77 86 97 rr_6nm3 1
68 "A.19 at 2.52e+06" 87 77 87 97 rr_6nm3 1
69 "A.169 at 4.38e+06" 88 78 88 98 rr_6nm3 1
70 "A.327 at 6.98e+06" 89 78 89 98 rr_6nm3 1
71 ADD 90 78 90 83 rr_6nm3 1
72
;A.54 at 1.03e+07
5
;
91 78 93 4 rr_6nm3 1
73 "A.27 at 3.30e+06" 94 77 94 97 rr_6nm3 1
74 "A.26 at 3.82e+06" 95 77 95 97 rr_6nm3 1
75 "A.91 at 1.59e+07" 96 77 96 97 rr_6nm3 1
76 "A.128 at 1.59e+07" 97 77 97 97 rr_6nm3 1
77 "A.134 at 2.21e+07" 98 77 98 97 rr_6nm3 1
78 "A.115 at 2.27e+07" 99 77 99 97 rr_6nm3 1
79 "A.133 at 2.28e+07" 100 77 100 97 rr_6nm3 1
80 "A.80 at 2.54e+07" 101 78 101 98 rr_6nm3 1
81 "A.25 at 3.57e+06" 102 77 102 97 rr_6nm3 1
82 "A.99 at 5.04e+06" 103 77 103 97 rr_6nm3 1
83 "A.98 at 2.47e+07" 104 77 104 97 rr_6nm3 1
84 "A.75 at 3.07e+07" 105 77 105 97 rr_6nm3 1
85 "A.304 at 2.06e+06" 106 77 106 97 rr_6nm3 1
86 "A.21 at 6.44e+06" 107 77 107 97 rr_6nm3 1
87 "A.342 at 4.84e+06" 108 77 108 97 rr_6nm3 1
88
;A.187 at 1.16e+07
6
;
109 78 111 4 rr_6nm3 1
89 "A.340 at 2.19e+06" 112 77 112 97 rr_6nm3 1
90 "A.29 at 3.49e+06" 113 77 113 97 rr_6nm3 1
91 "A.28 at 5.65e+06" 114 77 114 97 rr_6nm3 1
92 "A.89 at 2.04e+07" 115 77 115 97 rr_6nm3 1
93 "A.131 at 2.14e+07" 116 77 116 97 rr_6nm3 1
94 "A.109 at 2.39e+07" 117 78 117 98 rr_6nm3 1
95 "A.130 at 2.53e+07" 118 77 118 97 rr_6nm3 1
96 "A.78 at 3.05e+07" 119 78 119 98 rr_6nm3 1
97 "A.108 at 3.33e+07" 120 78 120 98 rr_6nm3 1
98 "A.339 at 2.68e+06" 121 77 121 97 rr_6nm3 1
99 "A.121 at 5.77e+06" 122 77 122 97 rr_6nm3 1
100 "A.103 at 1.76e+07" 123 77 123 97 rr_6nm3 1
101
;A.324 at 5.00e+06
7
;
124 78 126 4 rr_6nm3 1
102 "A.303 at 3.16e+06" 127 77 127 97 rr_6nm3 1
103 "A.31 at 4.27e+06" 128 77 128 97 rr_6nm3 1
104 "A.123 at 1.17e+07" 129 77 129 97 rr_6nm3 1
105 "A.122 at 1.86e+07" 130 77 130 97 rr_6nm3 1
106 "A.93 at 2.06e+07" 131 77 131 97 rr_6nm3 1
107 "A.114 at 2.09e+07" 132 77 132 97 rr_6nm3 1
108 "A.77 at 2.21e+07" 133 78 133 98 rr_6nm3 1
109 "A.135 at 2.69e+07" 134 77 134 97 rr_6nm3 1
110 "A.113 at 2.75e+07" 135 77 135 97 rr_6nm3 1
111 "A.136 at 2.75e+07" 136 77 136 97 rr_6nm3 1
112 "A.104 at 2.76e+06" 137 77 137 97 rr_6nm3 1
113 "A.234 at 3.58e+06" 138 77 138 97 rr_6nm3 1
114 "A.79 at 3.84e+06" 139 78 139 98 rr_6nm3 1
115 "A.166 at 4.10e+06" 140 78 140 98 rr_6nm3 1
116 "A.321 at 5.05e+06" 141 77 141 97 rr_6nm3 1
117 "A.167 at 8.80e+06" 142 77 142 97 rr_6nm3 1
118 "A.311 at 9.16e+06" 143 77 143 97 rr_6nm3 1
119 "A.326 at 1.05e+07" 144 77 144 97 rr_6nm3 1
120 "A.230 at 1.10e+07" 145 77 145 97 rr_6nm3 1
121 "A.325 at 1.17e+07" 146 78 146 98 rr_6nm3 1
122 "A.84 at 1.74e+07" 147 77 147 97 rr_6nm3 1
123
;A.106 at 2.13e+07
8
;
148 77 150 4 rr_6nm3 1
124 "A.343 at 3.54e+06" 151 77 151 97 rr_6nm3 1
125 "A.100 at 3.83e+06" 152 77 152 97 rr_6nm3 1
126 "A.237 at 4.70e+06" 153 77 153 97 rr_6nm3 1
127 "A.240 at 4.70e+06" 154 77 154 97 rr_6nm3 1
128 "A.221 at 7.31e+06" 155 77 155 97 rr_6nm3 1
129 "A.227 at 7.31e+06" 156 77 156 97 rr_6nm3 1
130 "A.270 at 8.35e+06" 157 77 157 97 rr_6nm3 1
131 "A.90 at 1.15e+07" 158 77 158 97 rr_6nm3 1
132 ADD 159 76 159 80 rr_6nm3 1
133 "A.330 at 1.29e+07" 160 77 160 97 rr_6nm3 1
134 "A.273 at 1.38e+07" 161 77 161 97 rr_6nm3 1
135 "A.186 at 2.47e+07" 162 77 162 97 rr_6nm3 1
136
;A.193 at 3.05e+07
@ END_XPLR_NOE_FILE
;
163 77 165 21 rr_6nm3 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 77 1 "Not handling restraint 77, item 1, resonance(s) ' .5.HE' (nmrStar names) not linked" rr_6nm3 1
2 2 109 1 "Not handling restraint 109, item 1, resonance(s) ' .7.HE' (nmrStar names) not linked" rr_6nm3 1
3 2 111 1 "Not handling restraint 111, item 1, resonance(s) ' .8.H2' (nmrStar names) not linked" rr_6nm3 1
4 2 123 1 "Not handling restraint 123, item 1, resonance(s) ' .8.H2' (nmrStar names) not linked" rr_6nm3 1
5 2 124 1 "Not handling restraint 124, item 1, resonance(s) ' .8.H1' (nmrStar names) not linked" rr_6nm3 1
6 2 125 1 "Not handling restraint 125, item 1, resonance(s) ' .8.H1' (nmrStar names) not linked" rr_6nm3 1
7 2 126 1 "Not handling restraint 126, item 1, resonance(s) ' .8.H1' (nmrStar names) not linked" rr_6nm3 1
8 2 127 1 "Not handling restraint 127, item 1, resonance(s) ' .8.H2' (nmrStar names) not linked" rr_6nm3 1
9 2 128 1 "Not handling restraint 128, item 1, resonance(s) ' .8.H2' (nmrStar names) not linked" rr_6nm3 1
10 2 130 1 "Not handling restraint 130, item 1, resonance(s) ' .8.H2' (nmrStar names) not linked" rr_6nm3 1
11 2 131 1 "Not handling restraint 131, item 1, resonance(s) ' .8.H2' (nmrStar names) not linked" rr_6nm3 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_6nm3
_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_6nm3 1
stop_
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Atom_type_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Atom_type_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Atom_type_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Atom_type_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.PDB_record_ID_1
_Torsion_angle_constraint.PDB_model_num_1
_Torsion_angle_constraint.PDB_strand_ID_1
_Torsion_angle_constraint.PDB_ins_code_1
_Torsion_angle_constraint.PDB_residue_no_1
_Torsion_angle_constraint.PDB_residue_name_1
_Torsion_angle_constraint.PDB_atom_name_1
_Torsion_angle_constraint.PDB_record_ID_2
_Torsion_angle_constraint.PDB_model_num_2
_Torsion_angle_constraint.PDB_strand_ID_2
_Torsion_angle_constraint.PDB_ins_code_2
_Torsion_angle_constraint.PDB_residue_no_2
_Torsion_angle_constraint.PDB_residue_name_2
_Torsion_angle_constraint.PDB_atom_name_2
_Torsion_angle_constraint.PDB_record_ID_3
_Torsion_angle_constraint.PDB_model_num_3
_Torsion_angle_constraint.PDB_strand_ID_3
_Torsion_angle_constraint.PDB_ins_code_3
_Torsion_angle_constraint.PDB_residue_no_3
_Torsion_angle_constraint.PDB_residue_name_3
_Torsion_angle_constraint.PDB_atom_name_3
_Torsion_angle_constraint.PDB_record_ID_4
_Torsion_angle_constraint.PDB_model_num_4
_Torsion_angle_constraint.PDB_strand_ID_4
_Torsion_angle_constraint.PDB_ins_code_4
_Torsion_angle_constraint.PDB_residue_no_4
_Torsion_angle_constraint.PDB_residue_name_4
_Torsion_angle_constraint.PDB_atom_name_4
_Torsion_angle_constraint.Auth_entity_assembly_ID_1
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_chain_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_alt_ID_1
_Torsion_angle_constraint.Auth_atom_name_1
_Torsion_angle_constraint.Auth_entity_assembly_ID_2
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_chain_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_alt_ID_2
_Torsion_angle_constraint.Auth_atom_name_2
_Torsion_angle_constraint.Auth_entity_assembly_ID_3
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_chain_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_alt_ID_3
_Torsion_angle_constraint.Auth_atom_name_3
_Torsion_angle_constraint.Auth_entity_assembly_ID_4
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_chain_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Auth_alt_ID_4
_Torsion_angle_constraint.Auth_atom_name_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . 1 1 2 2 LYS C C . . 1 1 3 3 ILE N N . . 1 1 3 3 ILE CA C . . 1 1 3 3 ILE C C . -119.0 -19.0 . . . A . 2 LYS C . . A . 3 ILE N . . A . 3 ILE CA . . A . 3 ILE C . . . 2 . C . . . . . 3 . N . . . . . 3 . CA . . . . . 3 . C . . rr_6nm3 1
2 . . 1 1 3 3 ILE N N . . 1 1 3 3 ILE CA C . . 1 1 3 3 ILE C C . . 1 1 4 4 TRP N N . -80.0 20.0 . . . A . 3 ILE N . . A . 3 ILE CA . . A . 3 ILE C . . A . 4 TRP N . . . 3 . N . . . . . 3 . CA . . . . . 3 . C . . . . . 4 . N . . rr_6nm3 1
3 . . 1 1 3 3 ILE C C . . 1 1 4 4 TRP N N . . 1 1 4 4 TRP CA C . . 1 1 4 4 TRP C C . -119.0 -39.0 . . . A . 3 ILE C . . A . 4 TRP N . . A . 4 TRP CA . . A . 4 TRP C . . . 3 . C . . . . . 4 . N . . . . . 4 . CA . . . . . 4 . C . . rr_6nm3 1
4 . . 1 1 4 4 TRP N N . . 1 1 4 4 TRP CA C . . 1 1 4 4 TRP C C . . 1 1 5 5 TRP N N . -72.0 28.0 . . . A . 4 TRP N . . A . 4 TRP CA . . A . 4 TRP C . . A . 5 TRP N . . . 4 . N . . . . . 4 . CA . . . . . 4 . C . . . . . 5 . N . . rr_6nm3 1
5 . . 1 1 4 4 TRP C C . . 1 1 5 5 TRP N N . . 1 1 5 5 TRP CA C . . 1 1 5 5 TRP C C . -138.0 -58.0 . . . A . 4 TRP C . . A . 5 TRP N . . A . 5 TRP CA . . A . 5 TRP C . . . 4 . C . . . . . 5 . N . . . . . 5 . CA . . . . . 5 . C . . rr_6nm3 1
6 . . 1 1 5 5 TRP N N . . 1 1 5 5 TRP CA C . . 1 1 5 5 TRP C C . . 1 1 6 6 TRP N N . -59.0 21.0 . . . A . 5 TRP N . . A . 5 TRP CA . . A . 5 TRP C . . A . 6 TRP N . . . 5 . N . . . . . 5 . CA . . . . . 5 . C . . . . . 6 . N . . rr_6nm3 1
7 . . 1 1 5 5 TRP C C . . 1 1 6 6 TRP N N . . 1 1 6 6 TRP CA C . . 1 1 6 6 TRP C C . -110.0 -30.0 . . . A . 5 TRP C . . A . 6 TRP N . . A . 6 TRP CA . . A . 6 TRP C . . . 5 . C . . . . . 6 . N . . . . . 6 . CA . . . . . 6 . C . . rr_6nm3 1
8 . . 1 1 6 6 TRP N N . . 1 1 6 6 TRP CA C . . 1 1 6 6 TRP C C . . 1 1 7 7 TRP N N . -67.0 13.0 . . . A . 6 TRP N . . A . 6 TRP CA . . A . 6 TRP C . . A . 7 TRP N . . . 6 . N . . . . . 6 . CA . . . . . 6 . C . . . . . 7 . N . . rr_6nm3 1
9 . . 1 1 6 6 TRP C C . . 1 1 7 7 TRP N N . . 1 1 7 7 TRP CA C . . 1 1 7 7 TRP C C . -117.0 -37.0 . . . A . 6 TRP C . . A . 7 TRP N . . A . 7 TRP CA . . A . 7 TRP C . . . 6 . C . . . . . 7 . N . . . . . 7 . CA . . . . . 7 . C . . rr_6nm3 1
10 . . 1 1 7 7 TRP N N . . 1 1 7 7 TRP CA C . . 1 1 7 7 TRP C C . . 1 1 8 8 LEU N N . -73.0 7.0 . . . A . 7 TRP N . . A . 7 TRP CA . . A . 7 TRP C . . A . 8 LEU N . . . 7 . N . . . . . 7 . CA . . . . . 7 . C . . . . . 8 . N . . rr_6nm3 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1
;! phi and phi angles for d219 March 23 2018
! 3
;
1 1 3 5 rr_6nm3 1
2 "! 4" 7 72 9 5 rr_6nm3 1
3 "! 5" 13 72 15 5 rr_6nm3 1
4 "! 6" 19 72 21 11 rr_6nm3 1
5 "! 7" 25 72 27 5 rr_6nm3 1
6 END 31 72 33 5 rr_6nm3 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_6nm3
_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 10-JAN-19 6NM3 *TITLE NMR STRUCTURE OF WW295 *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: WW295 PEPTIDE; *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 *KEYWDS ANTIMICROBIAL PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 5 *AUTHOR G.WANG,D.ZARENA *REVDAT 1 15-JUL-20 6NM3 0"
save_
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