NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
594709 |
2mua   |
25204 | cing | 3-converted-DOCR | STAR | entry | full | 226 |
data_DOCR_restraints_with_modified_coordinates_PDB_code_2mua
# This DOCR archive file contains, for PDB entry <2mua>:
#
# - 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_2mua
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 2mua"
_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 2mua"
_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 2mua "Master copy" rr_2mua
stop_
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_2mua
_Assembly.ID 1
_Assembly.Name 2mua
_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 2456.8936
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 "Ring infected erythrocyte surface antigen" 1 $Ring_infected_erythrocyte_surface_antigen A . no . . . . . . rr_2mua 1
stop_
save_
save_Ring_infected_erythrocyte_surface_antigen
_Entity.Sf_category entity
_Entity.Sf_framecode Ring_infected_erythrocyte_surface_antigen
_Entity.Entry_ID rr_2mua
_Entity.ID 1
_Entity.Name Ring_infected_erythrocyte_surface_antigen
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code
;YLGRSGGDIIKKMQTLWDEI
M
;
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer no
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Number_of_monomers 21
_Entity.Paramagnetic no
_Entity.Thiol_state "not present"
_Entity.Parent_entity_ID 1
_Entity.Formula_weight 2456.8936
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 . TYR . rr_2mua 1
2 . LEU . rr_2mua 1
3 . GLY . rr_2mua 1
4 . ARG . rr_2mua 1
5 . SER . rr_2mua 1
6 . GLY . rr_2mua 1
7 . GLY . rr_2mua 1
8 . ASP . rr_2mua 1
9 . ILE . rr_2mua 1
10 . ILE . rr_2mua 1
11 . LYS . rr_2mua 1
12 . LYS . rr_2mua 1
13 . MET . rr_2mua 1
14 . GLN . rr_2mua 1
15 . THR . rr_2mua 1
16 . LEU . rr_2mua 1
17 . TRP . rr_2mua 1
18 . ASP . rr_2mua 1
19 . GLU . rr_2mua 1
20 . ILE . rr_2mua 1
21 . MET . rr_2mua 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
. TYR 1 1 rr_2mua 1
. LEU 2 2 rr_2mua 1
. GLY 3 3 rr_2mua 1
. ARG 4 4 rr_2mua 1
. SER 5 5 rr_2mua 1
. GLY 6 6 rr_2mua 1
. GLY 7 7 rr_2mua 1
. ASP 8 8 rr_2mua 1
. ILE 9 9 rr_2mua 1
. ILE 10 10 rr_2mua 1
. LYS 11 11 rr_2mua 1
. LYS 12 12 rr_2mua 1
. MET 13 13 rr_2mua 1
. GLN 14 14 rr_2mua 1
. THR 15 15 rr_2mua 1
. LEU 16 16 rr_2mua 1
. TRP 17 17 rr_2mua 1
. ASP 18 18 rr_2mua 1
. GLU 19 19 rr_2mua 1
. ILE 20 20 rr_2mua 1
. MET 21 21 rr_2mua 1
stop_
save_
save_conformer_statistics
_Conformer_stat_list.Sf_category conformer_statistics
_Conformer_stat_list.Sf_framecode conformer_statistics
_Conformer_stat_list.Entry_ID rr_2mua
_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 1
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_2mua
_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_2mua 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_2mua 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 TYR C C -14.364 0.478 -2.231 . . . 1.0 . . . . . . . . . . . . A . 1 TYR C . . . . . . . . . rr_2mua 1
. 1 . 2 . 1 1 1 TYR CA C -14.162 2.015 -2.137 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CA . . . . . . . . . rr_2mua 1
. 1 . 3 . 1 1 1 TYR CB C -14.141 2.659 -3.555 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CB . . . . . . . . . rr_2mua 1
. 1 . 4 . 1 1 1 TYR CD1 C -15.478 4.834 -3.492 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CD1 . . . . . . . . . rr_2mua 1
. 1 . 5 . 1 1 1 TYR CD2 C -13.077 4.976 -3.715 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CD2 . . . . . . . . . rr_2mua 1
. 1 . 6 . 1 1 1 TYR CE1 C -15.561 6.225 -3.520 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CE1 . . . . . . . . . rr_2mua 1
. 1 . 7 . 1 1 1 TYR CE2 C -13.162 6.366 -3.741 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CE2 . . . . . . . . . rr_2mua 1
. 1 . 8 . 1 1 1 TYR CG C -14.234 4.198 -3.586 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CG . . . . . . . . . rr_2mua 1
. 1 . 9 . 1 1 1 TYR CZ C -14.404 6.990 -3.644 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CZ . . . . . . . . . rr_2mua 1
. 1 . 10 . 1 1 1 TYR H1 H -11.993 2.347 -1.885 . . . 1.0 . . . . . . . . . . . . A . 1 TYR H1 . . . . . . . . . rr_2mua 1
. 1 . 11 . 1 1 1 TYR HA H -15.020 2.474 -1.605 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HA . . . . . . . . . rr_2mua 1
. 1 . 12 . 1 1 1 TYR HB2 H -13.246 2.317 -4.113 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HB2 . . . . . . . . . rr_2mua 1
. 1 . 13 . 1 1 1 TYR HB3 H -14.986 2.256 -4.146 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HB3 . . . . . . . . . rr_2mua 1
. 1 . 14 . 1 1 1 TYR HD1 H -16.387 4.255 -3.398 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HD1 . . . . . . . . . rr_2mua 1
. 1 . 15 . 1 1 1 TYR HD2 H -12.107 4.507 -3.793 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HD2 . . . . . . . . . rr_2mua 1
. 1 . 16 . 1 1 1 TYR HE1 H -16.526 6.706 -3.446 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HE1 . . . . . . . . . rr_2mua 1
. 1 . 17 . 1 1 1 TYR HE2 H -12.263 6.957 -3.839 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HE2 . . . . . . . . . rr_2mua 1
. 1 . 18 . 1 1 1 TYR HH H -13.604 8.725 -3.763 . . . 1.0 . . . . . . . . . . . . A . 1 TYR HH . . . . . . . . . rr_2mua 1
. 1 . 19 . 1 1 1 TYR N N -12.896 2.302 -1.400 . . . 1.0 . . . . . . . . . . . . A . 1 TYR N . . . . . . . . . rr_2mua 1
. 1 . 20 . 1 1 1 TYR O O -13.565 -0.229 -2.853 . . . 1.0 . . . . . . . . . . . . A . 1 TYR O . . . . . . . . . rr_2mua 1
. 1 . 21 . 1 1 1 TYR OH O -14.487 8.360 -3.672 . . . 1.0 . . . . . . . . . . . . A . 1 TYR OH . . . . . . . . . rr_2mua 1
. 1 . 22 . 1 1 2 LEU C C -14.801 -2.270 -0.721 . . . 1.0 . . . . . . . . . . . . A . 2 LEU C . . . . . . . . . rr_2mua 1
. 1 . 23 . 1 1 2 LEU CA C -15.834 -1.466 -1.570 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CA . . . . . . . . . rr_2mua 1
. 1 . 24 . 1 1 2 LEU CB C -16.138 -2.055 -2.989 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CB . . . . . . . . . rr_2mua 1
. 1 . 25 . 1 1 2 LEU CD1 C -16.304 -4.617 -2.570 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD1 . . . . . . . . . rr_2mua 1
. 1 . 26 . 1 1 2 LEU CD2 C -18.414 -3.209 -2.539 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD2 . . . . . . . . . rr_2mua 1
. 1 . 27 . 1 1 2 LEU CG C -16.992 -3.351 -3.119 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CG . . . . . . . . . rr_2mua 1
. 1 . 28 . 1 1 2 LEU H H -16.026 0.689 -1.134 . . . 1.0 . . . . . . . . . . . . A . 2 LEU H . . . . . . . . . rr_2mua 1
. 1 . 29 . 1 1 2 LEU HA H -16.799 -1.482 -1.030 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HA . . . . . . . . . rr_2mua 1
. 1 . 30 . 1 1 2 LEU HB2 H -16.661 -1.279 -3.581 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB2 . . . . . . . . . rr_2mua 1
. 1 . 31 . 1 1 2 LEU HB3 H -15.188 -2.204 -3.537 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB3 . . . . . . . . . rr_2mua 1
. 1 . 32 . 1 1 2 LEU HD11 H -16.208 -4.598 -1.469 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD11 . . . . . . . . . rr_2mua 1
. 1 . 33 . 1 1 2 LEU HD12 H -16.871 -5.531 -2.829 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD12 . . . . . . . . . rr_2mua 1
. 1 . 34 . 1 1 2 LEU HD13 H -15.289 -4.742 -2.988 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD13 . . . . . . . . . rr_2mua 1
. 1 . 35 . 1 1 2 LEU HD21 H -18.409 -3.101 -1.438 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD21 . . . . . . . . . rr_2mua 1
. 1 . 36 . 1 1 2 LEU HD22 H -18.937 -2.328 -2.954 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD22 . . . . . . . . . rr_2mua 1
. 1 . 37 . 1 1 2 LEU HD23 H -19.039 -4.091 -2.774 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD23 . . . . . . . . . rr_2mua 1
. 1 . 38 . 1 1 2 LEU HG H -17.117 -3.520 -4.205 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HG . . . . . . . . . rr_2mua 1
. 1 . 39 . 1 1 2 LEU N N -15.454 -0.020 -1.606 . . . 1.0 . . . . . . . . . . . . A . 2 LEU N . . . . . . . . . rr_2mua 1
. 1 . 40 . 1 1 2 LEU O O -13.833 -2.819 -1.258 . . . 1.0 . . . . . . . . . . . . A . 2 LEU O . . . . . . . . . rr_2mua 1
. 1 . 41 . 1 1 3 GLY C C -12.664 -2.486 1.647 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_2mua 1
. 1 . 42 . 1 1 3 GLY CA C -14.112 -3.028 1.556 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_2mua 1
. 1 . 43 . 1 1 3 GLY H H -15.911 -1.853 0.851 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_2mua 1
. 1 . 44 . 1 1 3 GLY HA2 H -14.504 -3.099 2.597 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_2mua 1
. 1 . 45 . 1 1 3 GLY HA3 H -14.094 -4.077 1.221 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_2mua 1
. 1 . 46 . 1 1 3 GLY N N -15.016 -2.300 0.609 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_2mua 1
. 1 . 47 . 1 1 3 GLY O O -11.721 -3.237 1.388 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_2mua 1
. 1 . 48 . 1 1 4 ARG C C -10.164 -0.674 0.997 . . . 1.0 . . . . . . . . . . . . A . 4 ARG C . . . . . . . . . rr_2mua 1
. 1 . 49 . 1 1 4 ARG CA C -11.199 -0.497 2.162 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CA . . . . . . . . . rr_2mua 1
. 1 . 50 . 1 1 4 ARG CB C -10.608 -0.702 3.589 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CB . . . . . . . . . rr_2mua 1
. 1 . 51 . 1 1 4 ARG CD C -9.491 -2.180 5.381 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CD . . . . . . . . . rr_2mua 1
. 1 . 52 . 1 1 4 ARG CG C -10.205 -2.135 4.015 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CG . . . . . . . . . rr_2mua 1
. 1 . 53 . 1 1 4 ARG CZ C -8.048 -3.856 6.566 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CZ . . . . . . . . . rr_2mua 1
. 1 . 54 . 1 1 4 ARG H H -13.396 -0.708 2.201 . . . 1.0 . . . . . . . . . . . . A . 4 ARG H . . . . . . . . . rr_2mua 1
. 1 . 55 . 1 1 4 ARG HA H -11.460 0.578 2.135 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HA . . . . . . . . . rr_2mua 1
. 1 . 56 . 1 1 4 ARG HB2 H -9.725 -0.042 3.686 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HB2 . . . . . . . . . rr_2mua 1
. 1 . 57 . 1 1 4 ARG HB3 H -11.327 -0.306 4.332 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HB3 . . . . . . . . . rr_2mua 1
. 1 . 58 . 1 1 4 ARG HD2 H -8.645 -1.467 5.377 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HD2 . . . . . . . . . rr_2mua 1
. 1 . 59 . 1 1 4 ARG HD3 H -10.176 -1.844 6.183 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HD3 . . . . . . . . . rr_2mua 1
. 1 . 60 . 1 1 4 ARG HG2 H -11.105 -2.778 4.046 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HG2 . . . . . . . . . rr_2mua 1
. 1 . 61 . 1 1 4 ARG HG3 H -9.553 -2.574 3.239 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HG3 . . . . . . . . . rr_2mua 1
. 1 . 62 . 1 1 4 ARG HH11 H -7.672 -1.973 7.169 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HH11 . . . . . . . . . rr_2mua 1
. 1 . 63 . 1 1 4 ARG HH12 H -6.685 -3.312 7.943 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HH12 . . . . . . . . . rr_2mua 1
. 1 . 64 . 1 1 4 ARG HH21 H -8.232 -5.804 6.138 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HH21 . . . . . . . . . rr_2mua 1
. 1 . 65 . 1 1 4 ARG HH22 H -6.982 -5.334 7.397 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HH22 . . . . . . . . . rr_2mua 1
. 1 . 66 . 1 1 4 ARG N N -12.513 -1.197 2.019 . . . 1.0 . . . . . . . . . . . . A . 4 ARG N . . . . . . . . . rr_2mua 1
. 1 . 67 . 1 1 4 ARG NE N -9.015 -3.553 5.678 . . . 1.0 . . . . . . . . . . . . A . 4 ARG NE . . . . . . . . . rr_2mua 1
. 1 . 68 . 1 1 4 ARG NH1 N -7.402 -2.954 7.302 . . . 1.0 . . . . . . . . . . . . A . 4 ARG NH1 . . . . . . . . . rr_2mua 1
. 1 . 69 . 1 1 4 ARG NH2 N -7.721 -5.127 6.716 . . . 1.0 . . . . . . . . . . . . A . 4 ARG NH2 . . . . . . . . . rr_2mua 1
. 1 . 70 . 1 1 4 ARG O O -9.048 -1.159 1.207 . . . 1.0 . . . . . . . . . . . . A . 4 ARG O . . . . . . . . . rr_2mua 1
. 1 . 71 . 1 1 5 SER C C -8.597 0.829 -1.454 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2mua 1
. 1 . 72 . 1 1 5 SER CA C -9.665 -0.308 -1.424 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2mua 1
. 1 . 73 . 1 1 5 SER CB C -10.450 -0.404 -2.759 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2mua 1
. 1 . 74 . 1 1 5 SER H H -11.498 0.117 -0.247 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2mua 1
. 1 . 75 . 1 1 5 SER HA H -9.133 -1.266 -1.344 . . . 1.0 . . . . . . . . . . . . A . 5 SER HA . . . . . . . . . rr_2mua 1
. 1 . 76 . 1 1 5 SER HB2 H -11.197 -1.219 -2.734 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2mua 1
. 1 . 77 . 1 1 5 SER HB3 H -11.008 0.522 -2.988 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2mua 1
. 1 . 78 . 1 1 5 SER HG H -8.949 0.064 -3.868 . . . 1.0 . . . . . . . . . . . . A . 5 SER HG . . . . . . . . . rr_2mua 1
. 1 . 79 . 1 1 5 SER N N -10.547 -0.250 -0.225 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2mua 1
. 1 . 80 . 1 1 5 SER O O -7.406 0.520 -1.543 . . . 1.0 . . . . . . . . . . . . A . 5 SER O . . . . . . . . . rr_2mua 1
. 1 . 81 . 1 1 5 SER OG O -9.564 -0.673 -3.840 . . . 1.0 . . . . . . . . . . . . A . 5 SER OG . . . . . . . . . rr_2mua 1
. 1 . 82 . 1 1 6 GLY C C -7.009 3.305 -0.240 . . . 1.0 . . . . . . . . . . . . A . 6 GLY C . . . . . . . . . rr_2mua 1
. 1 . 83 . 1 1 6 GLY CA C -8.085 3.275 -1.352 . . . 1.0 . . . . . . . . . . . . A . 6 GLY CA . . . . . . . . . rr_2mua 1
. 1 . 84 . 1 1 6 GLY H H -10.027 2.236 -1.317 . . . 1.0 . . . . . . . . . . . . A . 6 GLY H . . . . . . . . . rr_2mua 1
. 1 . 85 . 1 1 6 GLY HA2 H -7.591 3.351 -2.339 . . . 1.0 . . . . . . . . . . . . A . 6 GLY HA2 . . . . . . . . . rr_2mua 1
. 1 . 86 . 1 1 6 GLY HA3 H -8.692 4.196 -1.274 . . . 1.0 . . . . . . . . . . . . A . 6 GLY HA3 . . . . . . . . . rr_2mua 1
. 1 . 87 . 1 1 6 GLY N N -9.011 2.114 -1.376 . . . 1.0 . . . . . . . . . . . . A . 6 GLY N . . . . . . . . . rr_2mua 1
. 1 . 88 . 1 1 6 GLY O O -5.826 3.458 -0.554 . . . 1.0 . . . . . . . . . . . . A . 6 GLY O . . . . . . . . . rr_2mua 1
. 1 . 89 . 1 1 7 GLY C C -5.396 2.002 2.157 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . rr_2mua 1
. 1 . 90 . 1 1 7 GLY CA C -6.476 3.113 2.188 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . rr_2mua 1
. 1 . 91 . 1 1 7 GLY H H -8.406 2.910 1.148 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . rr_2mua 1
. 1 . 92 . 1 1 7 GLY HA2 H -5.983 4.100 2.279 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . rr_2mua 1
. 1 . 93 . 1 1 7 GLY HA3 H -7.065 3.005 3.117 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . rr_2mua 1
. 1 . 94 . 1 1 7 GLY N N -7.415 3.150 1.036 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . rr_2mua 1
. 1 . 95 . 1 1 7 GLY O O -4.218 2.297 2.371 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . rr_2mua 1
. 1 . 96 . 1 1 8 ASP C C -3.874 -0.324 0.576 . . . 1.0 . . . . . . . . . . . . A . 8 ASP C . . . . . . . . . rr_2mua 1
. 1 . 97 . 1 1 8 ASP CA C -4.876 -0.409 1.769 . . . 1.0 . . . . . . . . . . . . A . 8 ASP CA . . . . . . . . . rr_2mua 1
. 1 . 98 . 1 1 8 ASP CB C -5.644 -1.761 1.734 . . . 1.0 . . . . . . . . . . . . A . 8 ASP CB . . . . . . . . . rr_2mua 1
. 1 . 99 . 1 1 8 ASP CG C -6.357 -2.197 3.027 . . . 1.0 . . . . . . . . . . . . A . 8 ASP CG . . . . . . . . . rr_2mua 1
. 1 . 100 . 1 1 8 ASP H H -6.803 0.641 1.702 . . . 1.0 . . . . . . . . . . . . A . 8 ASP H . . . . . . . . . rr_2mua 1
. 1 . 101 . 1 1 8 ASP HA H -4.273 -0.397 2.690 . . . 1.0 . . . . . . . . . . . . A . 8 ASP HA . . . . . . . . . rr_2mua 1
. 1 . 102 . 1 1 8 ASP HB2 H -6.373 -1.759 0.901 . . . 1.0 . . . . . . . . . . . . A . 8 ASP HB2 . . . . . . . . . rr_2mua 1
. 1 . 103 . 1 1 8 ASP HB3 H -4.936 -2.575 1.486 . . . 1.0 . . . . . . . . . . . . A . 8 ASP HB3 . . . . . . . . . rr_2mua 1
. 1 . 104 . 1 1 8 ASP HD2 H -7.487 -3.651 3.655 . . . 1.0 . . . . . . . . . . . . A . 8 ASP HD2 . . . . . . . . . rr_2mua 1
. 1 . 105 . 1 1 8 ASP N N -5.804 0.747 1.880 . . . 1.0 . . . . . . . . . . . . A . 8 ASP N . . . . . . . . . rr_2mua 1
. 1 . 106 . 1 1 8 ASP O O -2.725 -0.730 0.755 . . . 1.0 . . . . . . . . . . . . A . 8 ASP O . . . . . . . . . rr_2mua 1
. 1 . 107 . 1 1 8 ASP OD1 O -6.310 -1.579 4.091 . . . 1.0 . . . . . . . . . . . . A . 8 ASP OD1 . . . . . . . . . rr_2mua 1
. 1 . 108 . 1 1 8 ASP OD2 O -7.043 -3.370 2.852 . . . 1.0 . . . . . . . . . . . . A . 8 ASP OD2 . . . . . . . . . rr_2mua 1
. 1 . 109 . 1 1 9 ILE C C -2.154 1.293 -1.473 . . . 1.0 . . . . . . . . . . . . A . 9 ILE C . . . . . . . . . rr_2mua 1
. 1 . 110 . 1 1 9 ILE CA C -3.370 0.362 -1.789 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CA . . . . . . . . . rr_2mua 1
. 1 . 111 . 1 1 9 ILE CB C -4.235 0.694 -3.062 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CB . . . . . . . . . rr_2mua 1
. 1 . 112 . 1 1 9 ILE CD1 C -4.280 -1.580 -4.446 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CD1 . . . . . . . . . rr_2mua 1
. 1 . 113 . 1 1 9 ILE CG1 C -5.033 -0.545 -3.590 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CG1 . . . . . . . . . rr_2mua 1
. 1 . 114 . 1 1 9 ILE CG2 C -3.468 1.386 -4.222 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CG2 . . . . . . . . . rr_2mua 1
. 1 . 115 . 1 1 9 ILE H H -5.238 0.534 -0.651 . . . 1.0 . . . . . . . . . . . . A . 9 ILE H . . . . . . . . . rr_2mua 1
. 1 . 116 . 1 1 9 ILE HA H -2.915 -0.624 -1.938 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HA . . . . . . . . . rr_2mua 1
. 1 . 117 . 1 1 9 ILE HB H -4.998 1.437 -2.757 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HB . . . . . . . . . rr_2mua 1
. 1 . 118 . 1 1 9 ILE HD11 H -3.414 -2.005 -3.906 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HD11 . . . . . . . . . rr_2mua 1
. 1 . 119 . 1 1 9 ILE HD12 H -4.940 -2.423 -4.720 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HD12 . . . . . . . . . rr_2mua 1
. 1 . 120 . 1 1 9 ILE HD13 H -3.906 -1.145 -5.391 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HD13 . . . . . . . . . rr_2mua 1
. 1 . 121 . 1 1 9 ILE HG12 H -5.502 -1.107 -2.764 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG12 . . . . . . . . . rr_2mua 1
. 1 . 122 . 1 1 9 ILE HG13 H -5.900 -0.155 -4.145 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG13 . . . . . . . . . rr_2mua 1
. 1 . 123 . 1 1 9 ILE HG21 H -3.062 2.368 -3.916 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG21 . . . . . . . . . rr_2mua 1
. 1 . 124 . 1 1 9 ILE HG22 H -2.613 0.780 -4.573 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG22 . . . . . . . . . rr_2mua 1
. 1 . 125 . 1 1 9 ILE HG23 H -4.122 1.576 -5.093 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG23 . . . . . . . . . rr_2mua 1
. 1 . 126 . 1 1 9 ILE N N -4.272 0.198 -0.610 . . . 1.0 . . . . . . . . . . . . A . 9 ILE N . . . . . . . . . rr_2mua 1
. 1 . 127 . 1 1 9 ILE O O -1.021 0.885 -1.739 . . . 1.0 . . . . . . . . . . . . A . 9 ILE O . . . . . . . . . rr_2mua 1
. 1 . 128 . 1 1 10 ILE C C -0.335 2.770 0.581 . . . 1.0 . . . . . . . . . . . . A . 10 ILE C . . . . . . . . . rr_2mua 1
. 1 . 129 . 1 1 10 ILE CA C -1.274 3.424 -0.501 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CA . . . . . . . . . rr_2mua 1
. 1 . 130 . 1 1 10 ILE CB C -1.873 4.844 -0.151 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CB . . . . . . . . . rr_2mua 1
. 1 . 131 . 1 1 10 ILE CD1 C -3.636 5.340 -2.060 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CD1 . . . . . . . . . rr_2mua 1
. 1 . 132 . 1 1 10 ILE CG1 C -2.285 5.676 -1.412 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CG1 . . . . . . . . . rr_2mua 1
. 1 . 133 . 1 1 10 ILE CG2 C -0.917 5.734 0.682 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CG2 . . . . . . . . . rr_2mua 1
. 1 . 134 . 1 1 10 ILE H H -3.323 2.834 -1.055 . . . 1.0 . . . . . . . . . . . . A . 10 ILE H . . . . . . . . . rr_2mua 1
. 1 . 135 . 1 1 10 ILE HA H -0.640 3.562 -1.395 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HA . . . . . . . . . rr_2mua 1
. 1 . 136 . 1 1 10 ILE HB H -2.768 4.706 0.489 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HB . . . . . . . . . rr_2mua 1
. 1 . 137 . 1 1 10 ILE HD11 H -3.831 6.001 -2.924 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD11 . . . . . . . . . rr_2mua 1
. 1 . 138 . 1 1 10 ILE HD12 H -4.469 5.489 -1.350 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD12 . . . . . . . . . rr_2mua 1
. 1 . 139 . 1 1 10 ILE HD13 H -3.684 4.303 -2.434 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD13 . . . . . . . . . rr_2mua 1
. 1 . 140 . 1 1 10 ILE HG12 H -2.342 6.754 -1.163 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG12 . . . . . . . . . rr_2mua 1
. 1 . 141 . 1 1 10 ILE HG13 H -1.490 5.610 -2.178 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG13 . . . . . . . . . rr_2mua 1
. 1 . 142 . 1 1 10 ILE HG21 H -0.670 5.265 1.653 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG21 . . . . . . . . . rr_2mua 1
. 1 . 143 . 1 1 10 ILE HG22 H 0.035 5.921 0.152 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG22 . . . . . . . . . rr_2mua 1
. 1 . 144 . 1 1 10 ILE HG23 H -1.369 6.714 0.923 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG23 . . . . . . . . . rr_2mua 1
. 1 . 145 . 1 1 10 ILE N N -2.375 2.492 -0.893 . . . 1.0 . . . . . . . . . . . . A . 10 ILE N . . . . . . . . . rr_2mua 1
. 1 . 146 . 1 1 10 ILE O O 0.881 2.960 0.498 . . . 1.0 . . . . . . . . . . . . A . 10 ILE O . . . . . . . . . rr_2mua 1
. 1 . 147 . 1 1 11 LYS C C 0.859 0.231 2.008 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . rr_2mua 1
. 1 . 148 . 1 1 11 LYS CA C -0.101 1.306 2.607 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . rr_2mua 1
. 1 . 149 . 1 1 11 LYS CB C -1.032 0.702 3.696 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . rr_2mua 1
. 1 . 150 . 1 1 11 LYS CD C -1.052 2.121 5.919 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . rr_2mua 1
. 1 . 151 . 1 1 11 LYS CE C 0.202 2.998 5.739 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . rr_2mua 1
. 1 . 152 . 1 1 11 LYS CG C -1.774 1.705 4.617 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . rr_2mua 1
. 1 . 153 . 1 1 11 LYS H H -1.901 1.934 1.513 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . rr_2mua 1
. 1 . 154 . 1 1 11 LYS HA H 0.531 2.067 3.073 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . rr_2mua 1
. 1 . 155 . 1 1 11 LYS HB2 H -1.786 0.059 3.202 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . rr_2mua 1
. 1 . 156 . 1 1 11 LYS HB3 H -0.462 -0.001 4.334 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . rr_2mua 1
. 1 . 157 . 1 1 11 LYS HD2 H -1.786 2.667 6.543 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . rr_2mua 1
. 1 . 158 . 1 1 11 LYS HD3 H -0.797 1.215 6.502 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . rr_2mua 1
. 1 . 159 . 1 1 11 LYS HE2 H 0.998 2.433 5.222 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . rr_2mua 1
. 1 . 160 . 1 1 11 LYS HE3 H -0.026 3.875 5.105 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . rr_2mua 1
. 1 . 161 . 1 1 11 LYS HG2 H -2.083 2.604 4.052 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . rr_2mua 1
. 1 . 162 . 1 1 11 LYS HG3 H -2.728 1.232 4.917 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . rr_2mua 1
. 1 . 163 . 1 1 11 LYS HZ2 H 1.009 2.662 7.609 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ2 . . . . . . . . . rr_2mua 1
. 1 . 164 . 1 1 11 LYS HZ3 H 1.579 4.016 6.892 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ3 . . . . . . . . . rr_2mua 1
. 1 . 165 . 1 1 11 LYS N N -0.885 2.020 1.565 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . rr_2mua 1
. 1 . 166 . 1 1 11 LYS NZ N 0.726 3.464 7.035 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . rr_2mua 1
. 1 . 167 . 1 1 11 LYS O O 2.026 0.186 2.409 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . rr_2mua 1
. 1 . 168 . 1 1 12 LYS C C 2.268 -1.015 -0.588 . . . 1.0 . . . . . . . . . . . . A . 12 LYS C . . . . . . . . . rr_2mua 1
. 1 . 169 . 1 1 12 LYS CA C 1.215 -1.633 0.377 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CA . . . . . . . . . rr_2mua 1
. 1 . 170 . 1 1 12 LYS CB C 0.359 -2.739 -0.306 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CB . . . . . . . . . rr_2mua 1
. 1 . 171 . 1 1 12 LYS CD C -1.382 -3.539 1.484 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CD . . . . . . . . . rr_2mua 1
. 1 . 172 . 1 1 12 LYS CE C -1.860 -4.675 2.411 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CE . . . . . . . . . rr_2mua 1
. 1 . 173 . 1 1 12 LYS CG C -0.154 -3.877 0.610 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CG . . . . . . . . . rr_2mua 1
. 1 . 174 . 1 1 12 LYS H H -0.589 -0.446 0.785 . . . 1.0 . . . . . . . . . . . . A . 12 LYS H . . . . . . . . . rr_2mua 1
. 1 . 175 . 1 1 12 LYS HA H 1.814 -2.089 1.176 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HA . . . . . . . . . rr_2mua 1
. 1 . 176 . 1 1 12 LYS HB2 H -0.475 -2.295 -0.883 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HB2 . . . . . . . . . rr_2mua 1
. 1 . 177 . 1 1 12 LYS HB3 H 0.981 -3.237 -1.076 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HB3 . . . . . . . . . rr_2mua 1
. 1 . 178 . 1 1 12 LYS HD2 H -1.146 -2.666 2.118 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HD2 . . . . . . . . . rr_2mua 1
. 1 . 179 . 1 1 12 LYS HD3 H -2.220 -3.216 0.838 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HD3 . . . . . . . . . rr_2mua 1
. 1 . 180 . 1 1 12 LYS HE2 H -1.021 -5.051 3.025 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HE2 . . . . . . . . . rr_2mua 1
. 1 . 181 . 1 1 12 LYS HE3 H -2.597 -4.271 3.129 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HE3 . . . . . . . . . rr_2mua 1
. 1 . 182 . 1 1 12 LYS HG2 H -0.415 -4.738 -0.035 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HG2 . . . . . . . . . rr_2mua 1
. 1 . 183 . 1 1 12 LYS HG3 H 0.674 -4.241 1.246 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HG3 . . . . . . . . . rr_2mua 1
. 1 . 184 . 1 1 12 LYS HZ2 H -2.766 -6.531 2.349 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HZ2 . . . . . . . . . rr_2mua 1
. 1 . 185 . 1 1 12 LYS HZ3 H -1.799 -6.240 1.063 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HZ3 . . . . . . . . . rr_2mua 1
. 1 . 186 . 1 1 12 LYS N N 0.382 -0.609 1.057 . . . 1.0 . . . . . . . . . . . . A . 12 LYS N . . . . . . . . . rr_2mua 1
. 1 . 187 . 1 1 12 LYS NZ N -2.484 -5.799 1.687 . . . 1.0 . . . . . . . . . . . . A . 12 LYS NZ . . . . . . . . . rr_2mua 1
. 1 . 188 . 1 1 12 LYS O O 3.376 -1.553 -0.651 . . . 1.0 . . . . . . . . . . . . A . 12 LYS O . . . . . . . . . rr_2mua 1
. 1 . 189 . 1 1 13 MET C C 4.120 1.337 -1.414 . . . 1.0 . . . . . . . . . . . . A . 13 MET C . . . . . . . . . rr_2mua 1
. 1 . 190 . 1 1 13 MET CA C 2.917 0.761 -2.236 . . . 1.0 . . . . . . . . . . . . A . 13 MET CA . . . . . . . . . rr_2mua 1
. 1 . 191 . 1 1 13 MET CB C 2.239 1.837 -3.122 . . . 1.0 . . . . . . . . . . . . A . 13 MET CB . . . . . . . . . rr_2mua 1
. 1 . 192 . 1 1 13 MET CE C 0.076 1.641 -6.685 . . . 1.0 . . . . . . . . . . . . A . 13 MET CE . . . . . . . . . rr_2mua 1
. 1 . 193 . 1 1 13 MET CG C 1.312 1.285 -4.216 . . . 1.0 . . . . . . . . . . . . A . 13 MET CG . . . . . . . . . rr_2mua 1
. 1 . 194 . 1 1 13 MET H H 0.995 0.409 -1.218 . . . 1.0 . . . . . . . . . . . . A . 13 MET H . . . . . . . . . rr_2mua 1
. 1 . 195 . 1 1 13 MET HA H 3.323 -0.007 -2.902 . . . 1.0 . . . . . . . . . . . . A . 13 MET HA . . . . . . . . . rr_2mua 1
. 1 . 196 . 1 1 13 MET HB2 H 1.698 2.580 -2.506 . . . 1.0 . . . . . . . . . . . . A . 13 MET HB2 . . . . . . . . . rr_2mua 1
. 1 . 197 . 1 1 13 MET HB3 H 3.031 2.412 -3.637 . . . 1.0 . . . . . . . . . . . . A . 13 MET HB3 . . . . . . . . . rr_2mua 1
. 1 . 198 . 1 1 13 MET HE1 H 0.643 0.774 -7.069 . . . 1.0 . . . . . . . . . . . . A . 13 MET HE1 . . . . . . . . . rr_2mua 1
. 1 . 199 . 1 1 13 MET HE2 H -0.865 1.271 -6.241 . . . 1.0 . . . . . . . . . . . . A . 13 MET HE2 . . . . . . . . . rr_2mua 1
. 1 . 200 . 1 1 13 MET HE3 H -0.182 2.288 -7.542 . . . 1.0 . . . . . . . . . . . . A . 13 MET HE3 . . . . . . . . . rr_2mua 1
. 1 . 201 . 1 1 13 MET HG2 H 1.764 0.391 -4.681 . . . 1.0 . . . . . . . . . . . . A . 13 MET HG2 . . . . . . . . . rr_2mua 1
. 1 . 202 . 1 1 13 MET HG3 H 0.332 0.968 -3.818 . . . 1.0 . . . . . . . . . . . . A . 13 MET HG3 . . . . . . . . . rr_2mua 1
. 1 . 203 . 1 1 13 MET N N 1.949 0.069 -1.338 . . . 1.0 . . . . . . . . . . . . A . 13 MET N . . . . . . . . . rr_2mua 1
. 1 . 204 . 1 1 13 MET O O 5.280 1.114 -1.775 . . . 1.0 . . . . . . . . . . . . A . 13 MET O . . . . . . . . . rr_2mua 1
. 1 . 205 . 1 1 13 MET SD S 1.045 2.558 -5.471 . . . 1.0 . . . . . . . . . . . . A . 13 MET SD . . . . . . . . . rr_2mua 1
. 1 . 206 . 1 1 14 GLN C C 5.893 1.570 1.102 . . . 1.0 . . . . . . . . . . . . A . 14 GLN C . . . . . . . . . rr_2mua 1
. 1 . 207 . 1 1 14 GLN CA C 4.808 2.595 0.659 . . . 1.0 . . . . . . . . . . . . A . 14 GLN CA . . . . . . . . . rr_2mua 1
. 1 . 208 . 1 1 14 GLN CB C 4.023 3.185 1.870 . . . 1.0 . . . . . . . . . . . . A . 14 GLN CB . . . . . . . . . rr_2mua 1
. 1 . 209 . 1 1 14 GLN CD C 4.784 5.687 1.750 . . . 1.0 . . . . . . . . . . . . A . 14 GLN CD . . . . . . . . . rr_2mua 1
. 1 . 210 . 1 1 14 GLN CG C 3.619 4.675 1.758 . . . 1.0 . . . . . . . . . . . . A . 14 GLN CG . . . . . . . . . rr_2mua 1
. 1 . 211 . 1 1 14 GLN H H 2.824 2.242 -0.194 . . . 1.0 . . . . . . . . . . . . A . 14 GLN H . . . . . . . . . rr_2mua 1
. 1 . 212 . 1 1 14 GLN HA H 5.325 3.419 0.149 . . . 1.0 . . . . . . . . . . . . A . 14 GLN HA . . . . . . . . . rr_2mua 1
. 1 . 213 . 1 1 14 GLN HB2 H 3.108 2.596 2.076 . . . 1.0 . . . . . . . . . . . . A . 14 GLN HB2 . . . . . . . . . rr_2mua 1
. 1 . 214 . 1 1 14 GLN HB3 H 4.608 3.031 2.790 . . . 1.0 . . . . . . . . . . . . A . 14 GLN HB3 . . . . . . . . . rr_2mua 1
. 1 . 215 . 1 1 14 GLN HE21 H 3.716 6.920 0.582 . . . 1.0 . . . . . . . . . . . . A . 14 GLN HE21 . . . . . . . . . rr_2mua 1
. 1 . 216 . 1 1 14 GLN HE22 H 5.394 7.475 1.077 . . . 1.0 . . . . . . . . . . . . A . 14 GLN HE22 . . . . . . . . . rr_2mua 1
. 1 . 217 . 1 1 14 GLN HG2 H 2.977 4.810 0.865 . . . 1.0 . . . . . . . . . . . . A . 14 GLN HG2 . . . . . . . . . rr_2mua 1
. 1 . 218 . 1 1 14 GLN HG3 H 2.964 4.924 2.613 . . . 1.0 . . . . . . . . . . . . A . 14 GLN HG3 . . . . . . . . . rr_2mua 1
. 1 . 219 . 1 1 14 GLN N N 3.819 2.024 -0.287 . . . 1.0 . . . . . . . . . . . . A . 14 GLN N . . . . . . . . . rr_2mua 1
. 1 . 220 . 1 1 14 GLN NE2 N 4.614 6.809 1.067 . . . 1.0 . . . . . . . . . . . . A . 14 GLN NE2 . . . . . . . . . rr_2mua 1
. 1 . 221 . 1 1 14 GLN O O 7.084 1.841 0.928 . . . 1.0 . . . . . . . . . . . . A . 14 GLN O . . . . . . . . . rr_2mua 1
. 1 . 222 . 1 1 14 GLN OE1 O 5.833 5.488 2.363 . . . 1.0 . . . . . . . . . . . . A . 14 GLN OE1 . . . . . . . . . rr_2mua 1
. 1 . 223 . 1 1 15 THR C C 7.012 -1.529 0.891 . . . 1.0 . . . . . . . . . . . . A . 15 THR C . . . . . . . . . rr_2mua 1
. 1 . 224 . 1 1 15 THR CA C 6.408 -0.681 2.050 . . . 1.0 . . . . . . . . . . . . A . 15 THR CA . . . . . . . . . rr_2mua 1
. 1 . 225 . 1 1 15 THR CB C 5.837 -1.521 3.205 . . . 1.0 . . . . . . . . . . . . A . 15 THR CB . . . . . . . . . rr_2mua 1
. 1 . 226 . 1 1 15 THR CG2 C 4.595 -2.346 2.847 . . . 1.0 . . . . . . . . . . . . A . 15 THR CG2 . . . . . . . . . rr_2mua 1
. 1 . 227 . 1 1 15 THR H H 4.443 0.345 1.733 . . . 1.0 . . . . . . . . . . . . A . 15 THR H . . . . . . . . . rr_2mua 1
. 1 . 228 . 1 1 15 THR HA H 7.269 -0.171 2.500 . . . 1.0 . . . . . . . . . . . . A . 15 THR HA . . . . . . . . . rr_2mua 1
. 1 . 229 . 1 1 15 THR HB H 5.616 -0.793 3.995 . . . 1.0 . . . . . . . . . . . . A . 15 THR HB . . . . . . . . . rr_2mua 1
. 1 . 230 . 1 1 15 THR HG1 H 6.420 -2.832 4.487 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG1 . . . . . . . . . rr_2mua 1
. 1 . 231 . 1 1 15 THR HG21 H 3.790 -1.700 2.459 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG21 . . . . . . . . . rr_2mua 1
. 1 . 232 . 1 1 15 THR HG22 H 4.831 -3.087 2.061 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG22 . . . . . . . . . rr_2mua 1
. 1 . 233 . 1 1 15 THR HG23 H 4.212 -2.886 3.728 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG23 . . . . . . . . . rr_2mua 1
. 1 . 234 . 1 1 15 THR N N 5.467 0.405 1.636 . . . 1.0 . . . . . . . . . . . . A . 15 THR N . . . . . . . . . rr_2mua 1
. 1 . 235 . 1 1 15 THR O O 8.050 -2.156 1.122 . . . 1.0 . . . . . . . . . . . . A . 15 THR O . . . . . . . . . rr_2mua 1
. 1 . 236 . 1 1 15 THR OG1 O 6.825 -2.400 3.732 . . . 1.0 . . . . . . . . . . . . A . 15 THR OG1 . . . . . . . . . rr_2mua 1
. 1 . 237 . 1 1 16 LEU C C 8.404 -1.818 -1.781 . . . 1.0 . . . . . . . . . . . . A . 16 LEU C . . . . . . . . . rr_2mua 1
. 1 . 238 . 1 1 16 LEU CA C 6.950 -2.313 -1.504 . . . 1.0 . . . . . . . . . . . . A . 16 LEU CA . . . . . . . . . rr_2mua 1
. 1 . 239 . 1 1 16 LEU CB C 6.020 -2.092 -2.747 . . . 1.0 . . . . . . . . . . . . A . 16 LEU CB . . . . . . . . . rr_2mua 1
. 1 . 240 . 1 1 16 LEU CD1 C 4.007 -2.889 -4.109 . . . 1.0 . . . . . . . . . . . . A . 16 LEU CD1 . . . . . . . . . rr_2mua 1
. 1 . 241 . 1 1 16 LEU CD2 C 5.941 -4.465 -3.738 . . . 1.0 . . . . . . . . . . . . A . 16 LEU CD2 . . . . . . . . . rr_2mua 1
. 1 . 242 . 1 1 16 LEU CG C 5.124 -3.303 -3.132 . . . 1.0 . . . . . . . . . . . . A . 16 LEU CG . . . . . . . . . rr_2mua 1
. 1 . 243 . 1 1 16 LEU H H 5.464 -1.171 -0.352 . . . 1.0 . . . . . . . . . . . . A . 16 LEU H . . . . . . . . . rr_2mua 1
. 1 . 244 . 1 1 16 LEU HA H 6.950 -3.389 -1.258 . . . 1.0 . . . . . . . . . . . . A . 16 LEU HA . . . . . . . . . rr_2mua 1
. 1 . 245 . 1 1 16 LEU HB2 H 5.391 -1.193 -2.589 . . . 1.0 . . . . . . . . . . . . A . 16 LEU HB2 . . . . . . . . . rr_2mua 1
. 1 . 246 . 1 1 16 LEU HB3 H 6.615 -1.783 -3.632 . . . 1.0 . . . . . . . . . . . . A . 16 LEU HB3 . . . . . . . . . rr_2mua 1
. 1 . 247 . 1 1 16 LEU HD11 H 3.338 -2.132 -3.663 . . . 1.0 . . . . . . . . . . . . A . 16 LEU HD11 . . . . . . . . . rr_2mua 1
. 1 . 248 . 1 1 16 LEU HD12 H 3.365 -3.747 -4.384 . . . 1.0 . . . . . . . . . . . . A . 16 LEU HD12 . . . . . . . . . rr_2mua 1
. 1 . 249 . 1 1 16 LEU HD13 H 4.408 -2.463 -5.048 . . . 1.0 . . . . . . . . . . . . A . 16 LEU HD13 . . . . . . . . . rr_2mua 1
. 1 . 250 . 1 1 16 LEU HD21 H 6.716 -4.835 -3.041 . . . 1.0 . . . . . . . . . . . . A . 16 LEU HD21 . . . . . . . . . rr_2mua 1
. 1 . 251 . 1 1 16 LEU HD22 H 5.299 -5.332 -3.982 . . . 1.0 . . . . . . . . . . . . A . 16 LEU HD22 . . . . . . . . . rr_2mua 1
. 1 . 252 . 1 1 16 LEU HD23 H 6.459 -4.168 -4.669 . . . 1.0 . . . . . . . . . . . . A . 16 LEU HD23 . . . . . . . . . rr_2mua 1
. 1 . 253 . 1 1 16 LEU HG H 4.630 -3.674 -2.215 . . . 1.0 . . . . . . . . . . . . A . 16 LEU HG . . . . . . . . . rr_2mua 1
. 1 . 254 . 1 1 16 LEU N N 6.403 -1.575 -0.322 . . . 1.0 . . . . . . . . . . . . A . 16 LEU N . . . . . . . . . rr_2mua 1
. 1 . 255 . 1 1 16 LEU O O 9.360 -2.595 -1.771 . . . 1.0 . . . . . . . . . . . . A . 16 LEU O . . . . . . . . . rr_2mua 1
. 1 . 256 . 1 1 17 TRP C C 10.597 0.415 -0.833 . . . 1.0 . . . . . . . . . . . . A . 17 TRP C . . . . . . . . . rr_2mua 1
. 1 . 257 . 1 1 17 TRP CA C 9.785 0.228 -2.154 . . . 1.0 . . . . . . . . . . . . A . 17 TRP CA . . . . . . . . . rr_2mua 1
. 1 . 258 . 1 1 17 TRP CB C 9.640 1.582 -2.923 . . . 1.0 . . . . . . . . . . . . A . 17 TRP CB . . . . . . . . . rr_2mua 1
. 1 . 259 . 1 1 17 TRP CD1 C 7.466 1.475 -4.391 . . . 1.0 . . . . . . . . . . . . A . 17 TRP CD1 . . . . . . . . . rr_2mua 1
. 1 . 260 . 1 1 17 TRP CD2 C 7.538 3.157 -2.963 . . . 1.0 . . . . . . . . . . . . A . 17 TRP CD2 . . . . . . . . . rr_2mua 1
. 1 . 261 . 1 1 17 TRP CE2 C 6.362 3.259 -3.744 . . . 1.0 . . . . . . . . . . . . A . 17 TRP CE2 . . . . . . . . . rr_2mua 1
. 1 . 262 . 1 1 17 TRP CE3 C 7.723 3.978 -1.833 . . . 1.0 . . . . . . . . . . . . A . 17 TRP CE3 . . . . . . . . . rr_2mua 1
. 1 . 263 . 1 1 17 TRP CG C 8.264 2.078 -3.407 . . . 1.0 . . . . . . . . . . . . A . 17 TRP CG . . . . . . . . . rr_2mua 1
. 1 . 264 . 1 1 17 TRP CH2 C 5.614 5.084 -2.343 . . . 1.0 . . . . . . . . . . . . A . 17 TRP CH2 . . . . . . . . . rr_2mua 1
. 1 . 265 . 1 1 17 TRP CZ2 C 5.385 4.231 -3.427 . . . 1.0 . . . . . . . . . . . . A . 17 TRP CZ2 . . . . . . . . . rr_2mua 1
. 1 . 266 . 1 1 17 TRP CZ3 C 6.768 4.958 -1.555 . . . 1.0 . . . . . . . . . . . . A . 17 TRP CZ3 . . . . . . . . . rr_2mua 1
. 1 . 267 . 1 1 17 TRP H H 7.608 -0.004 -1.933 . . . 1.0 . . . . . . . . . . . . A . 17 TRP H . . . . . . . . . rr_2mua 1
. 1 . 268 . 1 1 17 TRP HA H 10.388 -0.433 -2.789 . . . 1.0 . . . . . . . . . . . . A . 17 TRP HA . . . . . . . . . rr_2mua 1
. 1 . 269 . 1 1 17 TRP HB2 H 10.106 2.405 -2.348 . . . 1.0 . . . . . . . . . . . . A . 17 TRP HB2 . . . . . . . . . rr_2mua 1
. 1 . 270 . 1 1 17 TRP HB3 H 10.289 1.527 -3.816 . . . 1.0 . . . . . . . . . . . . A . 17 TRP HB3 . . . . . . . . . rr_2mua 1
. 1 . 271 . 1 1 17 TRP HD1 H 7.661 0.470 -4.722 . . . 1.0 . . . . . . . . . . . . A . 17 TRP HD1 . . . . . . . . . rr_2mua 1
. 1 . 272 . 1 1 17 TRP HE1 H 5.483 1.946 -5.222 . . . 1.0 . . . . . . . . . . . . A . 17 TRP HE1 . . . . . . . . . rr_2mua 1
. 1 . 273 . 1 1 17 TRP HE3 H 8.537 3.753 -1.161 . . . 1.0 . . . . . . . . . . . . A . 17 TRP HE3 . . . . . . . . . rr_2mua 1
. 1 . 274 . 1 1 17 TRP HH2 H 4.870 5.822 -2.081 . . . 1.0 . . . . . . . . . . . . A . 17 TRP HH2 . . . . . . . . . rr_2mua 1
. 1 . 275 . 1 1 17 TRP HZ2 H 4.466 4.275 -3.991 . . . 1.0 . . . . . . . . . . . . A . 17 TRP HZ2 . . . . . . . . . rr_2mua 1
. 1 . 276 . 1 1 17 TRP HZ3 H 6.890 5.587 -0.686 . . . 1.0 . . . . . . . . . . . . A . 17 TRP HZ3 . . . . . . . . . rr_2mua 1
. 1 . 277 . 1 1 17 TRP N N 8.514 -0.488 -1.943 . . . 1.0 . . . . . . . . . . . . A . 17 TRP N . . . . . . . . . rr_2mua 1
. 1 . 278 . 1 1 17 TRP NE1 N 6.290 2.210 -4.647 . . . 1.0 . . . . . . . . . . . . A . 17 TRP NE1 . . . . . . . . . rr_2mua 1
. 1 . 279 . 1 1 17 TRP O O 11.824 0.491 -0.936 . . . 1.0 . . . . . . . . . . . . A . 17 TRP O . . . . . . . . . rr_2mua 1
. 1 . 280 . 1 1 18 ASP C C 11.660 -0.572 1.950 . . . 1.0 . . . . . . . . . . . . A . 18 ASP C . . . . . . . . . rr_2mua 1
. 1 . 281 . 1 1 18 ASP CA C 10.735 0.657 1.654 . . . 1.0 . . . . . . . . . . . . A . 18 ASP CA . . . . . . . . . rr_2mua 1
. 1 . 282 . 1 1 18 ASP CB C 9.833 0.985 2.886 . . . 1.0 . . . . . . . . . . . . A . 18 ASP CB . . . . . . . . . rr_2mua 1
. 1 . 283 . 1 1 18 ASP CG C 10.595 1.426 4.148 . . . 1.0 . . . . . . . . . . . . A . 18 ASP CG . . . . . . . . . rr_2mua 1
. 1 . 284 . 1 1 18 ASP H H 8.941 0.553 0.289 . . . 1.0 . . . . . . . . . . . . A . 18 ASP H . . . . . . . . . rr_2mua 1
. 1 . 285 . 1 1 18 ASP HA H 11.309 1.586 1.531 . . . 1.0 . . . . . . . . . . . . A . 18 ASP HA . . . . . . . . . rr_2mua 1
. 1 . 286 . 1 1 18 ASP HB2 H 9.116 1.803 2.667 . . . 1.0 . . . . . . . . . . . . A . 18 ASP HB2 . . . . . . . . . rr_2mua 1
. 1 . 287 . 1 1 18 ASP HB3 H 9.227 0.099 3.151 . . . 1.0 . . . . . . . . . . . . A . 18 ASP HB3 . . . . . . . . . rr_2mua 1
. 1 . 288 . 1 1 18 ASP HD2 H 11.444 3.015 4.886 . . . 1.0 . . . . . . . . . . . . A . 18 ASP HD2 . . . . . . . . . rr_2mua 1
. 1 . 289 . 1 1 18 ASP N N 9.968 0.477 0.376 . . . 1.0 . . . . . . . . . . . . A . 18 ASP N . . . . . . . . . rr_2mua 1
. 1 . 290 . 1 1 18 ASP O O 12.857 -0.417 2.199 . . . 1.0 . . . . . . . . . . . . A . 18 ASP O . . . . . . . . . rr_2mua 1
. 1 . 291 . 1 1 18 ASP OD1 O 10.841 0.671 5.089 . . . 1.0 . . . . . . . . . . . . A . 18 ASP OD1 . . . . . . . . . rr_2mua 1
. 1 . 292 . 1 1 18 ASP OD2 O 10.967 2.745 4.098 . . . 1.0 . . . . . . . . . . . . A . 18 ASP OD2 . . . . . . . . . rr_2mua 1
. 1 . 293 . 1 1 19 GLU C C 12.707 -3.536 0.980 . . . 1.0 . . . . . . . . . . . . A . 19 GLU C . . . . . . . . . rr_2mua 1
. 1 . 294 . 1 1 19 GLU CA C 11.735 -3.066 2.107 . . . 1.0 . . . . . . . . . . . . A . 19 GLU CA . . . . . . . . . rr_2mua 1
. 1 . 295 . 1 1 19 GLU CB C 10.650 -4.140 2.400 . . . 1.0 . . . . . . . . . . . . A . 19 GLU CB . . . . . . . . . rr_2mua 1
. 1 . 296 . 1 1 19 GLU CD C 9.216 -5.323 4.173 . . . 1.0 . . . . . . . . . . . . A . 19 GLU CD . . . . . . . . . rr_2mua 1
. 1 . 297 . 1 1 19 GLU CG C 9.975 -4.049 3.791 . . . 1.0 . . . . . . . . . . . . A . 19 GLU CG . . . . . . . . . rr_2mua 1
. 1 . 298 . 1 1 19 GLU H H 10.052 -1.727 1.730 . . . 1.0 . . . . . . . . . . . . A . 19 GLU H . . . . . . . . . rr_2mua 1
. 1 . 299 . 1 1 19 GLU HA H 12.344 -2.953 3.010 . . . 1.0 . . . . . . . . . . . . A . 19 GLU HA . . . . . . . . . rr_2mua 1
. 1 . 300 . 1 1 19 GLU HB2 H 9.879 -4.150 1.605 . . . 1.0 . . . . . . . . . . . . A . 19 GLU HB2 . . . . . . . . . rr_2mua 1
. 1 . 301 . 1 1 19 GLU HB3 H 11.131 -5.125 2.325 . . . 1.0 . . . . . . . . . . . . A . 19 GLU HB3 . . . . . . . . . rr_2mua 1
. 1 . 302 . 1 1 19 GLU HE2 H 7.758 -4.567 3.128 . . . 1.0 . . . . . . . . . . . . A . 19 GLU HE2 . . . . . . . . . rr_2mua 1
. 1 . 303 . 1 1 19 GLU HG2 H 10.746 -3.834 4.548 . . . 1.0 . . . . . . . . . . . . A . 19 GLU HG2 . . . . . . . . . rr_2mua 1
. 1 . 304 . 1 1 19 GLU HG3 H 9.279 -3.196 3.863 . . . 1.0 . . . . . . . . . . . . A . 19 GLU HG3 . . . . . . . . . rr_2mua 1
. 1 . 305 . 1 1 19 GLU N N 11.057 -1.773 1.905 . . . 1.0 . . . . . . . . . . . . A . 19 GLU N . . . . . . . . . rr_2mua 1
. 1 . 306 . 1 1 19 GLU O O 13.755 -4.100 1.305 . . . 1.0 . . . . . . . . . . . . A . 19 GLU O . . . . . . . . . rr_2mua 1
. 1 . 307 . 1 1 19 GLU OE1 O 9.697 -6.212 4.874 . . . 1.0 . . . . . . . . . . . . A . 19 GLU OE1 . . . . . . . . . rr_2mua 1
. 1 . 308 . 1 1 19 GLU OE2 O 7.950 -5.352 3.646 . . . 1.0 . . . . . . . . . . . . A . 19 GLU OE2 . . . . . . . . . rr_2mua 1
. 1 . 309 . 1 1 20 ILE C C 14.502 -2.827 -1.584 . . . 1.0 . . . . . . . . . . . . A . 20 ILE C . . . . . . . . . rr_2mua 1
. 1 . 310 . 1 1 20 ILE CA C 13.230 -3.726 -1.464 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CA . . . . . . . . . rr_2mua 1
. 1 . 311 . 1 1 20 ILE CB C 12.357 -3.890 -2.768 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CB . . . . . . . . . rr_2mua 1
. 1 . 312 . 1 1 20 ILE CD1 C 10.223 -5.101 -3.737 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CD1 . . . . . . . . . rr_2mua 1
. 1 . 313 . 1 1 20 ILE CG1 C 11.296 -5.034 -2.636 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CG1 . . . . . . . . . rr_2mua 1
. 1 . 314 . 1 1 20 ILE CG2 C 13.216 -4.135 -4.034 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CG2 . . . . . . . . . rr_2mua 1
. 1 . 315 . 1 1 20 ILE H H 11.503 -2.830 -0.470 . . . 1.0 . . . . . . . . . . . . A . 20 ILE H . . . . . . . . . rr_2mua 1
. 1 . 316 . 1 1 20 ILE HA H 13.596 -4.727 -1.224 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HA . . . . . . . . . rr_2mua 1
. 1 . 317 . 1 1 20 ILE HB H 11.816 -2.938 -2.933 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HB . . . . . . . . . rr_2mua 1
. 1 . 318 . 1 1 20 ILE HD11 H 9.705 -4.134 -3.868 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HD11 . . . . . . . . . rr_2mua 1
. 1 . 319 . 1 1 20 ILE HD12 H 10.649 -5.385 -4.716 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HD12 . . . . . . . . . rr_2mua 1
. 1 . 320 . 1 1 20 ILE HD13 H 9.452 -5.853 -3.491 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HD13 . . . . . . . . . rr_2mua 1
. 1 . 321 . 1 1 20 ILE HG12 H 11.805 -6.014 -2.568 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG12 . . . . . . . . . rr_2mua 1
. 1 . 322 . 1 1 20 ILE HG13 H 10.758 -4.929 -1.676 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG13 . . . . . . . . . rr_2mua 1
. 1 . 323 . 1 1 20 ILE HG21 H 13.924 -3.306 -4.213 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG21 . . . . . . . . . rr_2mua 1
. 1 . 324 . 1 1 20 ILE HG22 H 12.599 -4.206 -4.947 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG22 . . . . . . . . . rr_2mua 1
. 1 . 325 . 1 1 20 ILE HG23 H 13.808 -5.065 -3.951 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG23 . . . . . . . . . rr_2mua 1
. 1 . 326 . 1 1 20 ILE N N 12.382 -3.317 -0.312 . . . 1.0 . . . . . . . . . . . . A . 20 ILE N . . . . . . . . . rr_2mua 1
. 1 . 327 . 1 1 20 ILE O O 15.620 -3.334 -1.453 . . . 1.0 . . . . . . . . . . . . A . 20 ILE O . . . . . . . . . rr_2mua 1
. 1 . 328 . 1 1 21 MET C C 15.649 0.050 -0.528 . . . 1.0 . . . . . . . . . . . . A . 21 MET C . . . . . . . . . rr_2mua 1
. 1 . 329 . 1 1 21 MET CA C 15.401 -0.533 -1.945 . . . 1.0 . . . . . . . . . . . . A . 21 MET CA . . . . . . . . . rr_2mua 1
. 1 . 330 . 1 1 21 MET CB C 15.031 0.509 -3.033 . . . 1.0 . . . . . . . . . . . . A . 21 MET CB . . . . . . . . . rr_2mua 1
. 1 . 331 . 1 1 21 MET CE C 15.085 0.538 -7.206 . . . 1.0 . . . . . . . . . . . . A . 21 MET CE . . . . . . . . . rr_2mua 1
. 1 . 332 . 1 1 21 MET CG C 15.195 0.013 -4.479 . . . 1.0 . . . . . . . . . . . . A . 21 MET CG . . . . . . . . . rr_2mua 1
. 1 . 333 . 1 1 21 MET H H 13.385 -1.164 -1.710 . . . 1.0 . . . . . . . . . . . . A . 21 MET H . . . . . . . . . rr_2mua 1
. 1 . 334 . 1 1 21 MET HA H 16.311 -1.047 -2.271 . . . 1.0 . . . . . . . . . . . . A . 21 MET HA . . . . . . . . . rr_2mua 1
. 1 . 335 . 1 1 21 MET HB2 H 14.001 0.889 -2.888 . . . 1.0 . . . . . . . . . . . . A . 21 MET HB2 . . . . . . . . . rr_2mua 1
. 1 . 336 . 1 1 21 MET HB3 H 15.669 1.390 -2.893 . . . 1.0 . . . . . . . . . . . . A . 21 MET HB3 . . . . . . . . . rr_2mua 1
. 1 . 337 . 1 1 21 MET HE1 H 14.902 1.238 -8.041 . . . 1.0 . . . . . . . . . . . . A . 21 MET HE1 . . . . . . . . . rr_2mua 1
. 1 . 338 . 1 1 21 MET HE2 H 16.120 0.160 -7.296 . . . 1.0 . . . . . . . . . . . . A . 21 MET HE2 . . . . . . . . . rr_2mua 1
. 1 . 339 . 1 1 21 MET HE3 H 14.393 -0.317 -7.318 . . . 1.0 . . . . . . . . . . . . A . 21 MET HE3 . . . . . . . . . rr_2mua 1
. 1 . 340 . 1 1 21 MET HG2 H 16.225 -0.349 -4.653 . . . 1.0 . . . . . . . . . . . . A . 21 MET HG2 . . . . . . . . . rr_2mua 1
. 1 . 341 . 1 1 21 MET HG3 H 14.515 -0.834 -4.683 . . . 1.0 . . . . . . . . . . . . A . 21 MET HG3 . . . . . . . . . rr_2mua 1
. 1 . 342 . 1 1 21 MET N N 14.320 -1.522 -1.845 . . . 1.0 . . . . . . . . . . . . A . 21 MET N . . . . . . . . . rr_2mua 1
. 1 . 343 . 1 1 21 MET O O 16.615 -0.318 0.141 . . . 1.0 . . . . . . . . . . . . A . 21 MET O . . . . . . . . . rr_2mua 1
. 1 . 344 . 1 1 21 MET SD S 14.836 1.365 -5.623 . . . 1.0 . . . . . . . . . . . . A . 21 MET SD . . . . . . . . . rr_2mua 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_2mua
_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 2mua.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_2mua 1
1 2mua.mr . . DISCOVER 2 stereochemistry prochirality "Not applicable" 0 rr_2mua 1
1 2mua.mr . . DISCOVER 3 stereochemistry chirality "Not applicable" 0 rr_2mua 1
1 2mua.mr . . DISCOVER 4 distance "hydrogen bond" simple 11 rr_2mua 1
1 2mua.mr . . DISCOVER 5 distance NOE simple 203 rr_2mua 1
1 2mua.mr . . DISCOVER 6 "dihedral angle" "Not applicable" "Not applicable" 20 rr_2mua 1
1 2mua.mr . . DISCOVER 7 "dihedral angle" "Not applicable" "Not applicable" 4 rr_2mua 1
1 2mua.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_2mua 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_2mua
_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: '2mua'" . . . . distance "general distance" . 191 rr_2mua 1
2 "From CCPN project: '2mua'" . . . . distance "hydrogen bond" . 11 rr_2mua 1
3 "From CCPN project: '2mua'" . . . . "dihedral angle" "Not applicable" . 20 rr_2mua 1
4 "From CCPN project: '2mua'" . . . . "dihedral angle" "Not applicable" . 4 rr_2mua 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 2mua.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_2mua 1
1 2mua.mr . . DISCOVER 2 stereochemistry prochirality "Not applicable" 0 rr_2mua 1
1 2mua.mr . . DISCOVER 3 stereochemistry chirality "Not applicable" 0 rr_2mua 1
1 2mua.mr . . DISCOVER 4 distance "hydrogen bond" simple 11 rr_2mua 1
1 2mua.mr . . DISCOVER 5 distance NOE simple 203 rr_2mua 1
1 2mua.mr . . DISCOVER 6 "dihedral angle" "Not applicable" "Not applicable" 20 rr_2mua 1
1 2mua.mr . . DISCOVER 7 "dihedral angle" "Not applicable" "Not applicable" 4 rr_2mua 1
1 2mua.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_2mua 1
stop_
save_
save_Discover_distance_constraints_5
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode Discover_distance_constraints_5
_Gen_dist_constraint_list.Entry_ID rr_2mua
_Gen_dist_constraint_list.ID 2
_Gen_dist_constraint_list.Constraint_type NOE
_Gen_dist_constraint_list.Details "Generated by Wattos"
_Gen_dist_constraint_list.Constraint_file_ID 1
_Gen_dist_constraint_list.Block_ID 5
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_2mua 1
stop_
loop_
_Gen_dist_constraint.ID
_Gen_dist_constraint.Member_ID
_Gen_dist_constraint.Member_logic_code
_Gen_dist_constraint.Assembly_atom_ID_1
_Gen_dist_constraint.Entity_assembly_ID_1
_Gen_dist_constraint.Entity_ID_1
_Gen_dist_constraint.Comp_index_ID_1
_Gen_dist_constraint.Seq_ID_1
_Gen_dist_constraint.Comp_ID_1
_Gen_dist_constraint.Atom_ID_1
_Gen_dist_constraint.Atom_type_1
_Gen_dist_constraint.Atom_isotope_number_1
_Gen_dist_constraint.Resonance_ID_1
_Gen_dist_constraint.Assembly_atom_ID_2
_Gen_dist_constraint.Entity_assembly_ID_2
_Gen_dist_constraint.Entity_ID_2
_Gen_dist_constraint.Comp_index_ID_2
_Gen_dist_constraint.Seq_ID_2
_Gen_dist_constraint.Comp_ID_2
_Gen_dist_constraint.Atom_ID_2
_Gen_dist_constraint.Atom_type_2
_Gen_dist_constraint.Atom_isotope_number_2
_Gen_dist_constraint.Resonance_ID_2
_Gen_dist_constraint.Intensity_val
_Gen_dist_constraint.Intensity_lower_val_err
_Gen_dist_constraint.Intensity_upper_val_err
_Gen_dist_constraint.Distance_val
_Gen_dist_constraint.Distance_lower_bound_val
_Gen_dist_constraint.Distance_upper_bound_val
_Gen_dist_constraint.Contribution_fractional_val
_Gen_dist_constraint.Spectral_peak_ID
_Gen_dist_constraint.Spectral_peak_list_ID
_Gen_dist_constraint.PDB_record_ID_1
_Gen_dist_constraint.PDB_model_num_1
_Gen_dist_constraint.PDB_strand_ID_1
_Gen_dist_constraint.PDB_ins_code_1
_Gen_dist_constraint.PDB_residue_no_1
_Gen_dist_constraint.PDB_residue_name_1
_Gen_dist_constraint.PDB_atom_name_1
_Gen_dist_constraint.PDB_record_ID_2
_Gen_dist_constraint.PDB_model_num_2
_Gen_dist_constraint.PDB_strand_ID_2
_Gen_dist_constraint.PDB_ins_code_2
_Gen_dist_constraint.PDB_residue_no_2
_Gen_dist_constraint.PDB_residue_name_2
_Gen_dist_constraint.PDB_atom_name_2
_Gen_dist_constraint.Auth_entity_assembly_ID_1
_Gen_dist_constraint.Auth_asym_ID_1
_Gen_dist_constraint.Auth_chain_ID_1
_Gen_dist_constraint.Auth_seq_ID_1
_Gen_dist_constraint.Auth_comp_ID_1
_Gen_dist_constraint.Auth_atom_ID_1
_Gen_dist_constraint.Auth_alt_ID_1
_Gen_dist_constraint.Auth_atom_name_1
_Gen_dist_constraint.Auth_entity_assembly_ID_2
_Gen_dist_constraint.Auth_asym_ID_2
_Gen_dist_constraint.Auth_chain_ID_2
_Gen_dist_constraint.Auth_seq_ID_2
_Gen_dist_constraint.Auth_comp_ID_2
_Gen_dist_constraint.Auth_atom_ID_2
_Gen_dist_constraint.Auth_alt_ID_2
_Gen_dist_constraint.Auth_atom_name_2
_Gen_dist_constraint.Entry_ID
_Gen_dist_constraint.Gen_dist_constraint_list_ID
1 1 . . 1 1 2 2 LEU H H . . . 1 1 1 1 TYR HA H . . . . . 2.8 1.8 2.8 . . . . . A . 2 LEU H . . A . 1 TYR HA . 1 . 2 LEU HN . . . 1 . 1 TYR HA . . rr_2mua 1
2 1 . . 1 1 8 8 ASP H H . . . 1 1 8 8 ASP HA H . . . . . 2.8 1.8 2.8 . . . . . A . 8 ASP H . . A . 8 ASP HA . 1 . 8 ASP HN . . . 1 . 8 ASP HA . . rr_2mua 1
3 1 . . 1 1 8 8 ASP HA H . . . 1 1 9 9 ILE H H . . . . . 3.5 2.8 3.5 . . . . . A . 8 ASP HA . . A . 9 ILE H . 1 . 8 ASP HA . . . 1 . 9 ILE HN . . rr_2mua 1
4 1 . . 1 1 8 8 ASP HA H . . . 1 1 11 11 LYS H H . . . . . 5.0 3.5 5.0 . . . . . A . 8 ASP HA . . A . 11 LYS H . 1 . 8 ASP HA . . . 1 . 11 LYS HN . . rr_2mua 1
5 1 . . 1 1 15 15 THR H H . . . 1 1 15 15 THR HA H . . . . . 3.5 2.8 3.5 . . . . . A . 15 THR H . . A . 15 THR HA . 1 . 15 THR HN . . . 1 . 15 THR HA . . rr_2mua 1
6 1 . . 1 1 15 15 THR HA H . . . 1 1 16 16 LEU H H . . . . . 3.5 2.8 3.5 . . . . . A . 15 THR HA . . A . 16 LEU H . 1 . 15 THR HA . . . 1 . 16 LEU HN . . rr_2mua 1
7 1 . . 1 1 17 17 TRP HE3 H . . . 1 1 18 18 ASP HA H . . . . . 5.0 3.5 5.0 . . . . . A . 17 TRP HE3 . . A . 18 ASP HA . 1 . 17 TRP HE3 . . . 1 . 18 ASP HA . . rr_2mua 1
8 1 . . 1 1 1 1 TYR HA H . . . 1 1 1 1 TYR QD H . . . . . 3.5 2.8 5.5 . . . . . A . 1 TYR HA . . A . 1 TYR QD . 1 . 1 TYR HA . . . 1 . 1 TYR HD* . . rr_2mua 1
9 1 . . 1 1 17 17 TRP HD1 H . . . 1 1 17 17 TRP HA H . . . . . 3.5 2.8 3.5 . . . . . A . 17 TRP HD1 . . A . 17 TRP HA . 1 . 17 TRP HD1 . . . 1 . 17 TRP HA . . rr_2mua 1
10 1 . . 1 1 17 17 TRP HE3 H . . . 1 1 14 14 GLN HA H . . . . . 5.0 3.5 5.0 . . . . . A . 17 TRP HE3 . . A . 14 GLN HA . 1 . 17 TRP HE3 . . . 1 . 14 GLN HA . . rr_2mua 1
11 1 . . 1 1 17 17 TRP HE3 H . . . 1 1 17 17 TRP HA H . . . . . 5.0 3.5 5.0 . . . . . A . 17 TRP HE3 . . A . 17 TRP HA . 1 . 17 TRP HE3 . . . 1 . 17 TRP HA . . rr_2mua 1
12 1 . . 1 1 3 3 GLY H H . . . 1 1 2 2 LEU HA H . . . . . 2.8 1.8 2.8 . . . . . A . 3 GLY H . . A . 2 LEU HA . 1 . 3 GLY HN . . . 1 . 2 LEU HA . . rr_2mua 1
13 1 . . 1 1 11 11 LYS H H . . . 1 1 11 11 LYS HA H . . . . . 3.5 2.8 3.5 . . . . . A . 11 LYS H . . A . 11 LYS HA . 1 . 11 LYS HN . . . 1 . 11 LYS HA . . rr_2mua 1
14 1 . . 1 1 3 3 GLY H H . . . 1 1 3 3 GLY HA2 H . . . . . 3.5 2.8 3.5 . . . . . A . 3 GLY H . . A . 3 GLY HA2 . 1 . 3 GLY HN . . . 1 . 3 GLY HAR . . rr_2mua 1
15 1 . . 1 1 3 3 GLY H H . . . 1 1 3 3 GLY HA3 H . . . . . 2.8 1.8 2.8 . . . . . A . 3 GLY H . . A . 3 GLY HA3 . 1 . 3 GLY HN . . . 1 . 3 GLY HAS . . rr_2mua 1
16 1 . . 1 1 10 10 ILE H H . . . 1 1 10 10 ILE HA H . . . . . 2.8 1.8 2.8 . . . . . A . 10 ILE H . . A . 10 ILE HA . 1 . 10 ILE HN . . . 1 . 10 ILE HA . . rr_2mua 1
17 1 . . 1 1 10 10 ILE H H . . . 1 1 9 9 ILE HA H . . . . . 5.0 3.5 5.0 . . . . . A . 10 ILE H . . A . 9 ILE HA . 1 . 10 ILE HN . . . 1 . 9 ILE HA . . rr_2mua 1
18 1 OR . 1 1 10 10 ILE H H . . . 1 1 7 7 GLY HA2 H . . . . . 5.0 3.5 6.0 . . . . . A . 10 ILE H . . A . 7 GLY HA2 . 1 . 10 ILE HN . . . 1 . 7 GLY HA* . . rr_2mua 1
18 2 OR . 1 1 10 10 ILE H H . . . 1 1 7 7 GLY HA3 H . . . . . 5.0 3.5 6.0 . . . . . A . 10 ILE H . . A . 7 GLY HA3 . 1 . 10 ILE HN . . . 1 . 7 GLY HA* . . rr_2mua 1
19 1 . . 1 1 9 9 ILE H H . . . 1 1 9 9 ILE HA H . . . . . 3.5 2.8 3.5 . . . . . A . 9 ILE H . . A . 9 ILE HA . 1 . 9 ILE HN . . . 1 . 9 ILE HA . . rr_2mua 1
20 1 OR . 1 1 9 9 ILE H H . . . 1 1 6 6 GLY HA2 H . . . . . 5.0 3.5 6.0 . . . . . A . 9 ILE H . . A . 6 GLY HA2 . 1 . 9 ILE HN . . . 1 . 6 GLY HA* . . rr_2mua 1
20 2 OR . 1 1 9 9 ILE H H . . . 1 1 6 6 GLY HA3 H . . . . . 5.0 3.5 6.0 . . . . . A . 9 ILE H . . A . 6 GLY HA3 . 1 . 9 ILE HN . . . 1 . 6 GLY HA* . . rr_2mua 1
21 1 . . 1 1 21 21 MET HA H . . . 1 1 21 21 MET H H . . . . . 3.5 2.8 3.5 . . . . . A . 21 MET HA . . A . 21 MET H . 1 . 21 MET HA . . . 1 . 21 MET HN . . rr_2mua 1
22 1 . . 1 1 16 16 LEU H H . . . 1 1 13 13 MET HA H . . . . . 3.5 2.8 3.5 . . . . . A . 16 LEU H . . A . 13 MET HA . 1 . 16 LEU HN . . . 1 . 13 MET HA . . rr_2mua 1
23 1 . . 1 1 2 2 LEU H H . . . 1 1 2 2 LEU HA H . . . . . 2.8 1.8 2.8 . . . . . A . 2 LEU H . . A . 2 LEU HA . 1 . 2 LEU HN . . . 1 . 2 LEU HA . . rr_2mua 1
24 1 . . 1 1 5 5 SER H H . . . 1 1 5 5 SER HA H . . . . . 2.8 1.8 2.8 . . . . . A . 5 SER H . . A . 5 SER HA . 1 . 5 SER HN . . . 1 . 5 SER HA . . rr_2mua 1
25 1 . . 1 1 13 13 MET HA H . . . 1 1 14 14 GLN H H . . . . . 3.5 2.8 3.5 . . . . . A . 13 MET HA . . A . 14 GLN H . 1 . 13 MET HA . . . 1 . 14 GLN HN . . rr_2mua 1
26 1 . . 1 1 10 10 ILE HA H . . . 1 1 13 13 MET H H . . . . . 5.0 3.5 5.0 . . . . . A . 10 ILE HA . . A . 13 MET H . 1 . 10 ILE HA . . . 1 . 13 MET HN . . rr_2mua 1
27 1 . . 1 1 9 9 ILE HA H . . . 1 1 13 13 MET H H . . . . . 5.0 3.5 5.0 . . . . . A . 9 ILE HA . . A . 13 MET H . 1 . 9 ILE HA . . . 1 . 13 MET HN . . rr_2mua 1
28 1 . . 1 1 10 10 ILE HA H . . . 1 1 14 14 GLN H H . . . . . 5.0 3.5 5.0 . . . . . A . 10 ILE HA . . A . 14 GLN H . 1 . 10 ILE HA . . . 1 . 14 GLN HN . . rr_2mua 1
29 1 . . 1 1 9 9 ILE HA H . . . 1 1 12 12 LYS H H . . . . . 3.5 2.8 3.5 . . . . . A . 9 ILE HA . . A . 12 LYS H . 1 . 9 ILE HA . . . 1 . 12 LYS HN . . rr_2mua 1
30 1 . . 1 1 18 18 ASP HA H . . . 1 1 18 18 ASP H H . . . . . 2.8 1.8 2.8 . . . . . A . 18 ASP HA . . A . 18 ASP H . 1 . 18 ASP HA . . . 1 . 18 ASP HN . . rr_2mua 1
31 1 . . 1 1 13 13 MET HA H . . . 1 1 13 13 MET H H . . . . . 3.5 2.8 3.5 . . . . . A . 13 MET HA . . A . 13 MET H . 1 . 13 MET HA . . . 1 . 13 MET HN . . rr_2mua 1
32 1 . . 1 1 5 5 SER H H . . . 1 1 4 4 ARG HA H . . . . . 2.8 1.8 2.8 . . . . . A . 5 SER H . . A . 4 ARG HA . 1 . 5 SER HN . . . 1 . 4 ARG HA . . rr_2mua 1
33 1 . . 1 1 4 4 ARG HA H . . . 1 1 4 4 ARG H H . . . . . 2.8 1.8 2.8 . . . . . A . 4 ARG HA . . A . 4 ARG H . 1 . 4 ARG HA . . . 1 . 4 ARG HN . . rr_2mua 1
34 1 . . 1 1 17 17 TRP HA H . . . 1 1 20 20 ILE H H . . . . . 3.5 2.8 3.5 . . . . . A . 17 TRP HA . . A . 20 ILE H . 1 . 17 TRP HA . . . 1 . 20 ILE HN . . rr_2mua 1
35 1 . . 1 1 20 20 ILE H H . . . 1 1 19 19 GLU HA H . . . . . 3.5 2.8 3.5 . . . . . A . 20 ILE H . . A . 19 GLU HA . 1 . 20 ILE HN . . . 1 . 19 GLU HA . . rr_2mua 1
36 1 . . 1 1 19 19 GLU HA H . . . 1 1 19 19 GLU H H . . . . . 3.5 2.8 3.5 . . . . . A . 19 GLU HA . . A . 19 GLU H . 1 . 19 GLU HA . . . 1 . 19 GLU HN . . rr_2mua 1
37 1 . . 1 1 19 19 GLU H H . . . 1 1 16 16 LEU HA H . . . . . 5.0 3.5 5.0 . . . . . A . 19 GLU H . . A . 16 LEU HA . 1 . 19 GLU HN . . . 1 . 16 LEU HA . . rr_2mua 1
38 1 . . 1 1 20 20 ILE H H . . . 1 1 20 20 ILE HA H . . . . . 3.5 2.8 3.5 . . . . . A . 20 ILE H . . A . 20 ILE HA . 1 . 20 ILE HN . . . 1 . 20 ILE HA . . rr_2mua 1
39 1 . . 1 1 21 21 MET H H . . . 1 1 20 20 ILE HA H . . . . . 5.0 3.5 5.0 . . . . . A . 21 MET H . . A . 20 ILE HA . 1 . 21 MET HN . . . 1 . 20 ILE HA . . rr_2mua 1
40 1 OR . 1 1 6 6 GLY H H . . . 1 1 6 6 GLY HA2 H . . . . . 2.8 1.8 3.8 . . . . . A . 6 GLY H . . A . 6 GLY HA2 . 1 . 6 GLY HN . . . 1 . 6 GLY HA* . . rr_2mua 1
40 2 OR . 1 1 6 6 GLY HA3 H . . . 1 1 6 6 GLY H H . . . . . 2.8 1.8 3.8 . . . . . A . 6 GLY HA3 . . A . 6 GLY H . 1 . 6 GLY HA* . . . 1 . 6 GLY HN . . rr_2mua 1
41 1 OR . 1 1 7 7 GLY H H . . . 1 1 7 7 GLY HA2 H . . . . . 2.8 1.8 3.8 . . . . . A . 7 GLY H . . A . 7 GLY HA2 . 1 . 7 GLY HN . . . 1 . 7 GLY HA* . . rr_2mua 1
41 2 OR . 1 1 7 7 GLY HA3 H . . . 1 1 7 7 GLY H H . . . . . 2.8 1.8 3.8 . . . . . A . 7 GLY HA3 . . A . 7 GLY H . 1 . 7 GLY HA* . . . 1 . 7 GLY HN . . rr_2mua 1
42 1 OR . 1 1 7 7 GLY H H . . . 1 1 6 6 GLY HA2 H . . . . . 2.8 1.8 3.8 . . . . . A . 7 GLY H . . A . 6 GLY HA2 . 1 . 7 GLY HN . . . 1 . 6 GLY HA* . . rr_2mua 1
42 2 OR . 1 1 6 6 GLY HA3 H . . . 1 1 7 7 GLY H H . . . . . 2.8 1.8 3.8 . . . . . A . 6 GLY HA3 . . A . 7 GLY H . 1 . 6 GLY HA* . . . 1 . 7 GLY HN . . rr_2mua 1
43 1 . . 1 1 12 12 LYS H H . . . 1 1 12 12 LYS HA H . . . . . 2.8 1.8 2.8 . . . . . A . 12 LYS H . . A . 12 LYS HA . 1 . 12 LYS HN . . . 1 . 12 LYS HA . . rr_2mua 1
44 1 . . 1 1 14 14 GLN HA H . . . 1 1 14 14 GLN H H . . . . . 2.8 1.8 2.8 . . . . . A . 14 GLN HA . . A . 14 GLN H . 1 . 14 GLN HA . . . 1 . 14 GLN HN . . rr_2mua 1
45 1 . . 1 1 16 16 LEU H H . . . 1 1 16 16 LEU HA H . . . . . 2.8 1.8 2.8 . . . . . A . 16 LEU H . . A . 16 LEU HA . 1 . 16 LEU HN . . . 1 . 16 LEU HA . . rr_2mua 1
46 1 . . 1 1 17 17 TRP HA H . . . 1 1 17 17 TRP H H . . . . . 3.5 2.8 3.5 . . . . . A . 17 TRP HA . . A . 17 TRP H . 1 . 17 TRP HA . . . 1 . 17 TRP HN . . rr_2mua 1
47 1 . . 1 1 17 17 TRP HA H . . . 1 1 18 18 ASP H H . . . . . 3.5 2.8 3.5 . . . . . A . 17 TRP HA . . A . 18 ASP H . 1 . 17 TRP HA . . . 1 . 18 ASP HN . . rr_2mua 1
48 1 . . 1 1 11 11 LYS HA H . . . 1 1 12 12 LYS H H . . . . . 3.5 2.8 3.5 . . . . . A . 11 LYS HA . . A . 12 LYS H . 1 . 11 LYS HA . . . 1 . 12 LYS HN . . rr_2mua 1
49 1 OR . 1 1 8 8 ASP H H . . . 1 1 7 7 GLY HA2 H . . . . . 2.8 1.8 3.8 . . . . . A . 8 ASP H . . A . 7 GLY HA2 . 1 . 8 ASP HN . . . 1 . 7 GLY HA* . . rr_2mua 1
49 2 OR . 1 1 8 8 ASP H H . . . 1 1 7 7 GLY HA3 H . . . . . 2.8 1.8 3.8 . . . . . A . 8 ASP H . . A . 7 GLY HA3 . 1 . 8 ASP HN . . . 1 . 7 GLY HA* . . rr_2mua 1
50 1 . . 1 1 13 13 MET H H . . . 1 1 12 12 LYS HA H . . . . . 3.5 2.8 3.5 . . . . . A . 13 MET H . . A . 12 LYS HA . 1 . 13 MET HN . . . 1 . 12 LYS HA . . rr_2mua 1
51 1 OR . 1 1 10 10 ILE H H . . . 1 1 6 6 GLY HA2 H . . . . . 5.0 3.5 6.0 . . . . . A . 10 ILE H . . A . 6 GLY HA2 . 1 . 10 ILE HN . . . 1 . 6 GLY HA* . . rr_2mua 1
51 2 OR . 1 1 10 10 ILE H H . . . 1 1 6 6 GLY HA3 H . . . . . 5.0 3.5 6.0 . . . . . A . 10 ILE H . . A . 6 GLY HA3 . 1 . 10 ILE HN . . . 1 . 6 GLY HA* . . rr_2mua 1
52 1 . . 1 1 18 18 ASP H H . . . 1 1 15 15 THR HB H . . . . . 5.0 3.5 5.0 . . . . . A . 18 ASP H . . A . 15 THR HB . 1 . 18 ASP HN . . . 1 . 15 THR HB . . rr_2mua 1
53 1 . . 1 1 14 14 GLN HA H . . . 1 1 18 18 ASP H H . . . . . 5.0 3.5 5.0 . . . . . A . 14 GLN HA . . A . 18 ASP H . 1 . 14 GLN HA . . . 1 . 18 ASP HN . . rr_2mua 1
54 1 OR . 1 1 5 5 SER H H . . . 1 1 5 5 SER HB2 H . . . . . 3.5 2.8 4.5 . . . . . A . 5 SER H . . A . 5 SER HB2 . 1 . 5 SER HN . . . 1 . 5 SER HB* . . rr_2mua 1
54 2 OR . 1 1 5 5 SER H H . . . 1 1 5 5 SER HB3 H . . . . . 3.5 2.8 4.5 . . . . . A . 5 SER H . . A . 5 SER HB3 . 1 . 5 SER HN . . . 1 . 5 SER HB* . . rr_2mua 1
55 1 . . 1 1 11 11 LYS HA H . . . 1 1 14 14 GLN H H . . . . . 5.0 3.5 5.0 . . . . . A . 11 LYS HA . . A . 14 GLN H . 1 . 11 LYS HA . . . 1 . 14 GLN HN . . rr_2mua 1
56 1 . . 1 1 16 16 LEU H H . . . 1 1 15 15 THR HB H . . . . . 5.0 3.5 5.0 . . . . . A . 16 LEU H . . A . 15 THR HB . 1 . 16 LEU HN . . . 1 . 15 THR HB . . rr_2mua 1
57 1 . . 1 1 19 19 GLU H H . . . 1 1 15 15 THR HB H . . . . . 5.0 3.5 5.0 . . . . . A . 19 GLU H . . A . 15 THR HB . 1 . 19 GLU HN . . . 1 . 15 THR HB . . rr_2mua 1
58 1 . . 1 1 15 15 THR H H . . . 1 1 15 15 THR HB H . . . . . 2.8 1.8 2.8 . . . . . A . 15 THR H . . A . 15 THR HB . 1 . 15 THR HN . . . 1 . 15 THR HB . . rr_2mua 1
59 1 . . 1 1 16 16 LEU H H . . . 1 1 12 12 LYS HA H . . . . . 5.0 3.5 5.0 . . . . . A . 16 LEU H . . A . 12 LYS HA . 1 . 16 LEU HN . . . 1 . 12 LYS HA . . rr_2mua 1
60 1 OR . 1 1 17 17 TRP H H . . . 1 1 17 17 TRP HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 17 TRP H . . A . 17 TRP HB2 . 1 . 17 TRP HN . . . 1 . 17 TRP HB* . . rr_2mua 1
60 2 OR . 1 1 17 17 TRP H H . . . 1 1 17 17 TRP HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 17 TRP H . . A . 17 TRP HB3 . 1 . 17 TRP HN . . . 1 . 17 TRP HB* . . rr_2mua 1
61 1 OR . 1 1 18 18 ASP H H . . . 1 1 17 17 TRP HB2 H . . . . . 5.0 3.5 6.0 . . . . . A . 18 ASP H . . A . 17 TRP HB2 . 1 . 18 ASP HN . . . 1 . 17 TRP HB* . . rr_2mua 1
61 2 OR . 1 1 18 18 ASP H H . . . 1 1 17 17 TRP HB3 H . . . . . 5.0 3.5 6.0 . . . . . A . 18 ASP H . . A . 17 TRP HB3 . 1 . 18 ASP HN . . . 1 . 17 TRP HB* . . rr_2mua 1
62 1 . . 1 1 19 19 GLU H H . . . 1 1 18 18 ASP HB2 H . . . . . 5.0 3.5 5.0 . . . . . A . 19 GLU H . . A . 18 ASP HB2 . 1 . 19 GLU HN . . . 1 . 18 ASP HBS . . rr_2mua 1
63 1 OR . 1 1 17 17 TRP HE3 H . . . 1 1 17 17 TRP HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 17 TRP HE3 . . A . 17 TRP HB2 . 1 . 17 TRP HE3 . . . 1 . 17 TRP HB* . . rr_2mua 1
63 2 OR . 1 1 17 17 TRP HE3 H . . . 1 1 17 17 TRP HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 17 TRP HE3 . . A . 17 TRP HB3 . 1 . 17 TRP HE3 . . . 1 . 17 TRP HB* . . rr_2mua 1
64 1 OR . 1 1 17 17 TRP HD1 H . . . 1 1 17 17 TRP HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 17 TRP HD1 . . A . 17 TRP HB2 . 1 . 17 TRP HD1 . . . 1 . 17 TRP HB* . . rr_2mua 1
64 2 OR . 1 1 17 17 TRP HD1 H . . . 1 1 17 17 TRP HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 17 TRP HD1 . . A . 17 TRP HB3 . 1 . 17 TRP HD1 . . . 1 . 17 TRP HB* . . rr_2mua 1
65 1 OR . 1 1 1 1 TYR QD H . . . 1 1 1 1 TYR HB2 H . . . . . 2.8 1.8 5.8 . . . . . A . 1 TYR QD . . A . 1 TYR HB2 . 1 . 1 TYR HD* . . . 1 . 1 TYR HB* . . rr_2mua 1
65 2 OR . 1 1 1 1 TYR QD H . . . 1 1 1 1 TYR HB3 H . . . . . 2.8 1.8 5.8 . . . . . A . 1 TYR QD . . A . 1 TYR HB3 . 1 . 1 TYR HD* . . . 1 . 1 TYR HB* . . rr_2mua 1
66 1 OR . 1 1 1 1 TYR QE H . . . 1 1 1 1 TYR HB2 H . . . . . 5.0 3.5 8.0 . . . . . A . 1 TYR QE . . A . 1 TYR HB2 . 1 . 1 TYR HE* . . . 1 . 1 TYR HB* . . rr_2mua 1
66 2 OR . 1 1 1 1 TYR HB3 H . . . 1 1 1 1 TYR QE H . . . . . 5.0 3.5 8.0 . . . . . A . 1 TYR HB3 . . A . 1 TYR QE . 1 . 1 TYR HB* . . . 1 . 1 TYR HE* . . rr_2mua 1
67 1 OR . 1 1 2 2 LEU H H . . . 1 1 1 1 TYR HB2 H . . . . . 3.5 2.8 4.5 . . . . . A . 2 LEU H . . A . 1 TYR HB2 . 1 . 2 LEU HN . . . 1 . 1 TYR HB* . . rr_2mua 1
67 2 OR . 1 1 2 2 LEU H H . . . 1 1 1 1 TYR HB3 H . . . . . 3.5 2.8 4.5 . . . . . A . 2 LEU H . . A . 1 TYR HB3 . 1 . 2 LEU HN . . . 1 . 1 TYR HB* . . rr_2mua 1
68 1 . . 1 1 13 13 MET H H . . . 1 1 13 13 MET HG2 H . . . . . 3.5 2.8 3.5 . . . . . A . 13 MET H . . A . 13 MET HG2 . 1 . 13 MET HN . . . 1 . 13 MET HGS . . rr_2mua 1
69 1 . . 1 1 18 18 ASP H H . . . 1 1 18 18 ASP HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 18 ASP H . . A . 18 ASP HB2 . 1 . 18 ASP HN . . . 1 . 18 ASP HBS . . rr_2mua 1
70 1 OR . 1 1 4 4 ARG QH1 H . . . 1 1 4 4 ARG HD2 H . . . . . 3.5 2.8 5.5 . . . . . A . 4 ARG QH1 . . A . 4 ARG HD2 . 1 . 4 ARG HH1* . . . 1 . 4 ARG HD* . . rr_2mua 1
70 2 OR . 1 1 4 4 ARG QH1 H . . . 1 1 4 4 ARG HD3 H . . . . . 3.5 2.8 5.5 . . . . . A . 4 ARG QH1 . . A . 4 ARG HD3 . 1 . 4 ARG HH1* . . . 1 . 4 ARG HD* . . rr_2mua 1
71 1 . . 1 1 18 18 ASP H H . . . 1 1 18 18 ASP HB3 H . . . . . 3.5 2.8 3.5 . . . . . A . 18 ASP H . . A . 18 ASP HB3 . 1 . 18 ASP HN . . . 1 . 18 ASP HBR . . rr_2mua 1
72 1 . . 1 1 19 19 GLU H H . . . 1 1 18 18 ASP HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 19 GLU H . . A . 18 ASP HB3 . 1 . 19 GLU HN . . . 1 . 18 ASP HBR . . rr_2mua 1
73 1 . . 1 1 19 19 GLU H H . . . 1 1 19 19 GLU HG2 H . . . . . 3.5 2.8 3.5 . . . . . A . 19 GLU H . . A . 19 GLU HG2 . 1 . 19 GLU HN . . . 1 . 19 GLU HGS . . rr_2mua 1
74 1 . . 1 1 19 19 GLU H H . . . 1 1 19 19 GLU HG3 H . . . . . 3.5 2.8 3.5 . . . . . A . 19 GLU H . . A . 19 GLU HG3 . 1 . 19 GLU HN . . . 1 . 19 GLU HGR . . rr_2mua 1
75 1 . . 1 1 19 19 GLU H H . . . 1 1 19 19 GLU HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 19 GLU H . . A . 19 GLU HB2 . 1 . 19 GLU HN . . . 1 . 19 GLU HBR . . rr_2mua 1
76 1 . . 1 1 13 13 MET H H . . . 1 1 13 13 MET HG3 H . . . . . 3.5 2.8 3.5 . . . . . A . 13 MET H . . A . 13 MET HG3 . 1 . 13 MET HN . . . 1 . 13 MET HGR . . rr_2mua 1
77 1 . . 1 1 14 14 GLN H H . . . 1 1 14 14 GLN HG2 H . . . . . 3.5 2.8 3.5 . . . . . A . 14 GLN H . . A . 14 GLN HG2 . 1 . 14 GLN HN . . . 1 . 14 GLN HGS . . rr_2mua 1
78 1 . . 1 1 14 14 GLN H H . . . 1 1 14 14 GLN HG3 H . . . . . 5.0 3.5 5.0 . . . . . A . 14 GLN H . . A . 14 GLN HG3 . 1 . 14 GLN HN . . . 1 . 14 GLN HGR . . rr_2mua 1
79 1 . . 1 1 14 14 GLN H H . . . 1 1 14 14 GLN HB3 H . . . . . 5.0 3.5 5.0 . . . . . A . 14 GLN H . . A . 14 GLN HB3 . 1 . 14 GLN HN . . . 1 . 14 GLN HBS . . rr_2mua 1
80 1 . . 1 1 14 14 GLN H H . . . 1 1 14 14 GLN HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 14 GLN H . . A . 14 GLN HB2 . 1 . 14 GLN HN . . . 1 . 14 GLN HBR . . rr_2mua 1
81 1 OR . 1 1 13 13 MET H H . . . 1 1 13 13 MET HB2 H . . . . . 3.5 2.8 4.5 . . . . . A . 13 MET H . . A . 13 MET HB2 . 1 . 13 MET HN . . . 1 . 13 MET HB* . . rr_2mua 1
81 2 OR . 1 1 13 13 MET H H . . . 1 1 13 13 MET HB3 H . . . . . 3.5 2.8 4.5 . . . . . A . 13 MET H . . A . 13 MET HB3 . 1 . 13 MET HN . . . 1 . 13 MET HB* . . rr_2mua 1
82 1 . . 1 1 20 20 ILE H H . . . 1 1 19 19 GLU HB3 H . . . . . 5.0 3.5 5.0 . . . . . A . 20 ILE H . . A . 19 GLU HB3 . 1 . 20 ILE HN . . . 1 . 19 GLU HBS . . rr_2mua 1
83 1 . . 1 1 19 19 GLU H H . . . 1 1 19 19 GLU HB3 H . . . . . 5.0 3.5 5.0 . . . . . A . 19 GLU H . . A . 19 GLU HB3 . 1 . 19 GLU HN . . . 1 . 19 GLU HBS . . rr_2mua 1
84 1 . . 1 1 15 15 THR H H . . . 1 1 14 14 GLN HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 15 THR H . . A . 14 GLN HB2 . 1 . 15 THR HN . . . 1 . 14 GLN HBR . . rr_2mua 1
85 1 . . 1 1 15 15 THR H H . . . 1 1 14 14 GLN HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 15 THR H . . A . 14 GLN HB3 . 1 . 15 THR HN . . . 1 . 14 GLN HBS . . rr_2mua 1
86 1 OR . 1 1 13 13 MET H H . . . 1 1 12 12 LYS HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 13 MET H . . A . 12 LYS HB2 . 1 . 13 MET HN . . . 1 . 12 LYS HB* . . rr_2mua 1
86 2 OR . 1 1 13 13 MET H H . . . 1 1 12 12 LYS HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 13 MET H . . A . 12 LYS HB3 . 1 . 13 MET HN . . . 1 . 12 LYS HB* . . rr_2mua 1
87 1 OR . 1 1 12 12 LYS H H . . . 1 1 12 12 LYS HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 12 LYS H . . A . 12 LYS HB2 . 1 . 12 LYS HN . . . 1 . 12 LYS HB* . . rr_2mua 1
87 2 OR . 1 1 12 12 LYS H H . . . 1 1 12 12 LYS HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 12 LYS H . . A . 12 LYS HB3 . 1 . 12 LYS HN . . . 1 . 12 LYS HB* . . rr_2mua 1
88 1 . . 1 1 20 20 ILE H H . . . 1 1 19 19 GLU HB2 H . . . . . 3.5 2.8 3.5 . . . . . A . 20 ILE H . . A . 19 GLU HB2 . 1 . 20 ILE HN . . . 1 . 19 GLU HBR . . rr_2mua 1
89 1 . . 1 1 9 9 ILE H H . . . 1 1 9 9 ILE HB H . . . . . 2.8 1.8 2.8 . . . . . A . 9 ILE H . . A . 9 ILE HB . 1 . 9 ILE HN . . . 1 . 9 ILE HB . . rr_2mua 1
90 1 . . 1 1 10 10 ILE H H . . . 1 1 9 9 ILE HB H . . . . . 2.8 1.8 2.8 . . . . . A . 10 ILE H . . A . 9 ILE HB . 1 . 10 ILE HN . . . 1 . 9 ILE HB . . rr_2mua 1
91 1 OR . 1 1 11 11 LYS H H . . . 1 1 11 11 LYS HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 11 LYS H . . A . 11 LYS HB2 . 1 . 11 LYS HN . . . 1 . 11 LYS HB* . . rr_2mua 1
91 2 OR . 1 1 11 11 LYS H H . . . 1 1 11 11 LYS HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 11 LYS H . . A . 11 LYS HB3 . 1 . 11 LYS HN . . . 1 . 11 LYS HB* . . rr_2mua 1
92 1 . . 1 1 4 4 ARG H H . . . 1 1 4 4 ARG HB3 H . . . . . 3.5 2.8 3.5 . . . . . A . 4 ARG H . . A . 4 ARG HB3 . 1 . 4 ARG HN . . . 1 . 4 ARG HB2 . . rr_2mua 1
93 1 OR . 1 1 17 17 TRP H H . . . 1 1 16 16 LEU HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 17 TRP H . . A . 16 LEU HB2 . 1 . 17 TRP HN . . . 1 . 16 LEU HB* . . rr_2mua 1
93 2 OR . 1 1 17 17 TRP H H . . . 1 1 16 16 LEU HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 17 TRP H . . A . 16 LEU HB3 . 1 . 17 TRP HN . . . 1 . 16 LEU HB* . . rr_2mua 1
94 1 OR . 1 1 18 18 ASP H H . . . 1 1 16 16 LEU HB2 H . . . . . 5.0 3.5 6.0 . . . . . A . 18 ASP H . . A . 16 LEU HB2 . 1 . 18 ASP HN . . . 1 . 16 LEU HB* . . rr_2mua 1
94 2 OR . 1 1 18 18 ASP H H . . . 1 1 16 16 LEU HB3 H . . . . . 5.0 3.5 6.0 . . . . . A . 18 ASP H . . A . 16 LEU HB3 . 1 . 18 ASP HN . . . 1 . 16 LEU HB* . . rr_2mua 1
95 1 . . 1 1 20 20 ILE H H . . . 1 1 20 20 ILE HG12 H . . . . . 5.0 3.5 5.0 . . . . . A . 20 ILE H . . A . 20 ILE HG12 . 1 . 20 ILE HN . . . 1 . 20 ILE HG1R . . rr_2mua 1
96 1 . . 1 1 21 21 MET H H . . . 1 1 21 21 MET HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 21 MET H . . A . 21 MET HB2 . 1 . 21 MET HN . . . 1 . 21 MET HBS . . rr_2mua 1
97 1 . . 1 1 21 21 MET H H . . . 1 1 21 21 MET HG3 H . . . . . 3.5 2.8 3.5 . . . . . A . 21 MET H . . A . 21 MET HG3 . 1 . 21 MET HN . . . 1 . 21 MET HGR . . rr_2mua 1
98 1 . . 1 1 21 21 MET H H . . . 1 1 21 21 MET HG2 H . . . . . 5.0 3.5 5.0 . . . . . A . 21 MET H . . A . 21 MET HG2 . 1 . 21 MET HN . . . 1 . 21 MET HGS . . rr_2mua 1
99 1 OR . 1 1 4 4 ARG H H . . . 1 1 4 4 ARG HG2 H . . . . . 5.0 3.5 6.0 . . . . . A . 4 ARG H . . A . 4 ARG HG2 . 1 . 4 ARG HN . . . 1 . 4 ARG HG* . . rr_2mua 1
99 2 OR . 1 1 4 4 ARG H H . . . 1 1 4 4 ARG HG3 H . . . . . 5.0 3.5 6.0 . . . . . A . 4 ARG H . . A . 4 ARG HG3 . 1 . 4 ARG HN . . . 1 . 4 ARG HG* . . rr_2mua 1
100 1 . . 1 1 9 9 ILE H H . . . 1 1 9 9 ILE HG12 H . . . . . 2.8 1.8 2.8 . . . . . A . 9 ILE H . . A . 9 ILE HG12 . 1 . 9 ILE HN . . . 1 . 9 ILE HG1R . . rr_2mua 1
101 1 OR . 1 1 2 2 LEU H H . . . 1 1 2 2 LEU HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 2 LEU H . . A . 2 LEU HB2 . 1 . 2 LEU HN . . . 1 . 2 LEU HB* . . rr_2mua 1
101 2 OR . 1 1 2 2 LEU H H . . . 1 1 2 2 LEU HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 2 LEU H . . A . 2 LEU HB3 . 1 . 2 LEU HN . . . 1 . 2 LEU HB* . . rr_2mua 1
102 1 OR . 1 1 16 16 LEU H H . . . 1 1 16 16 LEU HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 16 LEU H . . A . 16 LEU HB2 . 1 . 16 LEU HN . . . 1 . 16 LEU HB* . . rr_2mua 1
102 2 OR . 1 1 16 16 LEU H H . . . 1 1 16 16 LEU HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 16 LEU H . . A . 16 LEU HB3 . 1 . 16 LEU HN . . . 1 . 16 LEU HB* . . rr_2mua 1
103 1 . . 1 1 16 16 LEU H H . . . 1 1 16 16 LEU HG H . . . . . 3.5 2.8 3.5 . . . . . A . 16 LEU H . . A . 16 LEU HG . 1 . 16 LEU HN . . . 1 . 16 LEU HG . . rr_2mua 1
104 1 . . 1 1 20 20 ILE H H . . . 1 1 20 20 ILE HB H . . . . . 2.8 1.8 2.8 . . . . . A . 20 ILE H . . A . 20 ILE HB . 1 . 20 ILE HN . . . 1 . 20 ILE HB . . rr_2mua 1
105 1 . . 1 1 5 5 SER H H . . . 1 1 4 4 ARG HB3 H . . . . . 5.0 3.5 5.0 . . . . . A . 5 SER H . . A . 4 ARG HB3 . 1 . 5 SER HN . . . 1 . 4 ARG HB2 . . rr_2mua 1
106 1 . . 1 1 21 21 MET H H . . . 1 1 21 21 MET HB3 H . . . . . 5.0 3.5 5.0 . . . . . A . 21 MET H . . A . 21 MET HB3 . 1 . 21 MET HN . . . 1 . 21 MET HBR . . rr_2mua 1
107 1 . . 1 1 10 10 ILE H H . . . 1 1 10 10 ILE HG12 H . . . . . 5.0 3.5 5.0 . . . . . A . 10 ILE H . . A . 10 ILE HG12 . 1 . 10 ILE HN . . . 1 . 10 ILE HG1R . . rr_2mua 1
108 1 OR . 1 1 17 17 TRP HZ2 H . . . 1 1 16 16 LEU HB2 H . . . . . 5.0 3.5 6.0 . . . . . A . 17 TRP HZ2 . . A . 16 LEU HB2 . 1 . 17 TRP HZ2 . . . 1 . 16 LEU HB* . . rr_2mua 1
108 2 OR . 1 1 16 16 LEU HB3 H . . . 1 1 17 17 TRP HZ2 H . . . . . 5.0 3.5 6.0 . . . . . A . 16 LEU HB3 . . A . 17 TRP HZ2 . 1 . 16 LEU HB* . . . 1 . 17 TRP HZ2 . . rr_2mua 1
109 1 OR . 1 1 17 17 TRP HD1 H . . . 1 1 16 16 LEU HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 17 TRP HD1 . . A . 16 LEU HB2 . 1 . 17 TRP HD1 . . . 1 . 16 LEU HB* . . rr_2mua 1
109 2 OR . 1 1 17 17 TRP HD1 H . . . 1 1 16 16 LEU HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 17 TRP HD1 . . A . 16 LEU HB3 . 1 . 17 TRP HD1 . . . 1 . 16 LEU HB* . . rr_2mua 1
110 1 . . 1 1 10 10 ILE H H . . . 1 1 10 10 ILE MD H . . . . . 3.5 2.8 4.5 . . . . . A . 10 ILE H . . A . 10 ILE MD . 1 . 10 ILE HN . . . 1 . 10 ILE HD1* . . rr_2mua 1
111 1 . . 1 1 10 10 ILE H H . . . 1 1 10 10 ILE MG H . . . . . 3.5 2.8 4.5 . . . . . A . 10 ILE H . . A . 10 ILE MG . 1 . 10 ILE HN . . . 1 . 10 ILE HG2* . . rr_2mua 1
112 1 . . 1 1 10 10 ILE H H . . . 1 1 9 9 ILE MG H . . . . . 3.5 2.8 4.5 . . . . . A . 10 ILE H . . A . 9 ILE MG . 1 . 10 ILE HN . . . 1 . 9 ILE HG2* . . rr_2mua 1
113 1 . . 1 1 9 9 ILE H H . . . 1 1 9 9 ILE MD H . . . . . 5.0 3.5 6.0 . . . . . A . 9 ILE H . . A . 9 ILE MD . 1 . 9 ILE HN . . . 1 . 9 ILE HD1* . . rr_2mua 1
114 1 . . 1 1 9 9 ILE H H . . . 1 1 9 9 ILE MG H . . . . . 5.0 3.5 6.0 . . . . . A . 9 ILE H . . A . 9 ILE MG . 1 . 9 ILE HN . . . 1 . 9 ILE HG2* . . rr_2mua 1
115 1 . . 1 1 16 16 LEU H H . . . 1 1 16 16 LEU MD2 H . . . . . 5.0 3.5 6.0 . . . . . A . 16 LEU H . . A . 16 LEU MD2 . 1 . 16 LEU HN . . . 1 . 16 LEU HDS* . . rr_2mua 1
116 1 . . 1 1 16 16 LEU H H . . . 1 1 16 16 LEU MD1 H . . . . . 5.0 3.5 6.0 . . . . . A . 16 LEU H . . A . 16 LEU MD1 . 1 . 16 LEU HN . . . 1 . 16 LEU HDR* . . rr_2mua 1
117 1 . . 1 1 20 20 ILE H H . . . 1 1 20 20 ILE MD H . . . . . 3.5 2.8 4.5 . . . . . A . 20 ILE H . . A . 20 ILE MD . 1 . 20 ILE HN . . . 1 . 20 ILE HD1* . . rr_2mua 1
118 1 . . 1 1 20 20 ILE H H . . . 1 1 20 20 ILE MG H . . . . . 3.5 2.8 4.5 . . . . . A . 20 ILE H . . A . 20 ILE MG . 1 . 20 ILE HN . . . 1 . 20 ILE HG2* . . rr_2mua 1
119 1 . . 1 1 21 21 MET H H . . . 1 1 20 20 ILE MG H . . . . . 3.5 2.8 4.5 . . . . . A . 21 MET H . . A . 20 ILE MG . 1 . 21 MET HN . . . 1 . 20 ILE HG2* . . rr_2mua 1
120 1 . . 1 1 20 20 ILE H H . . . 1 1 20 20 ILE HG13 H . . . . . 2.8 1.8 2.8 . . . . . A . 20 ILE H . . A . 20 ILE HG13 . 1 . 20 ILE HN . . . 1 . 20 ILE HG1S . . rr_2mua 1
121 1 . . 1 1 15 15 THR H H . . . 1 1 15 15 THR MG H . . . . . 3.5 2.8 4.5 . . . . . A . 15 THR H . . A . 15 THR MG . 1 . 15 THR HN . . . 1 . 15 THR HG2* . . rr_2mua 1
122 1 . . 1 1 16 16 LEU H H . . . 1 1 15 15 THR MG H . . . . . 5.0 3.5 6.0 . . . . . A . 16 LEU H . . A . 15 THR MG . 1 . 16 LEU HN . . . 1 . 15 THR HG2* . . rr_2mua 1
123 1 . . 1 1 9 9 ILE H H . . . 1 1 9 9 ILE HG13 H . . . . . 5.0 3.5 5.0 . . . . . A . 9 ILE H . . A . 9 ILE HG13 . 1 . 9 ILE HN . . . 1 . 9 ILE HG1S . . rr_2mua 1
124 1 . . 1 1 10 10 ILE H H . . . 1 1 10 10 ILE HG13 H . . . . . 3.5 2.8 3.5 . . . . . A . 10 ILE H . . A . 10 ILE HG13 . 1 . 10 ILE HN . . . 1 . 10 ILE HG1S . . rr_2mua 1
125 1 . . 1 1 2 2 LEU H H . . . 1 1 2 2 LEU MD2 H . . . . . 5.0 3.5 6.0 . . . . . A . 2 LEU H . . A . 2 LEU MD2 . 1 . 2 LEU HN . . . 1 . 2 LEU HDS* . . rr_2mua 1
126 1 . . 1 1 2 2 LEU H H . . . 1 1 2 2 LEU MD1 H . . . . . 5.0 3.5 6.0 . . . . . A . 2 LEU H . . A . 2 LEU MD1 . 1 . 2 LEU HN . . . 1 . 2 LEU HDR* . . rr_2mua 1
127 1 OR . 1 1 17 17 TRP HE1 H . . . 1 1 17 17 TRP HB2 H . . . . . 5.0 3.5 6.0 . . . . . A . 17 TRP HE1 . . A . 17 TRP HB2 . 1 . 17 TRP HE1 . . . 1 . 17 TRP HB* . . rr_2mua 1
127 2 OR . 1 1 17 17 TRP HB3 H . . . 1 1 17 17 TRP HE1 H . . . . . 5.0 3.5 6.0 . . . . . A . 17 TRP HB3 . . A . 17 TRP HE1 . 1 . 17 TRP HB* . . . 1 . 17 TRP HE1 . . rr_2mua 1
128 1 OR . 1 1 17 17 TRP HE1 H . . . 1 1 16 16 LEU HB2 H . . . . . 5.0 3.5 6.0 . . . . . A . 17 TRP HE1 . . A . 16 LEU HB2 . 1 . 17 TRP HE1 . . . 1 . 16 LEU HB* . . rr_2mua 1
128 2 OR . 1 1 16 16 LEU HB3 H . . . 1 1 17 17 TRP HE1 H . . . . . 5.0 3.5 6.0 . . . . . A . 16 LEU HB3 . . A . 17 TRP HE1 . 1 . 16 LEU HB* . . . 1 . 17 TRP HE1 . . rr_2mua 1
129 1 . . 1 1 17 17 TRP HD1 H . . . 1 1 17 17 TRP HE1 H . . . . . 2.8 1.8 2.8 . . . . . A . 17 TRP HD1 . . A . 17 TRP HE1 . 1 . 17 TRP HD1 . . . 1 . 17 TRP HE1 . . rr_2mua 1
130 1 . . 1 1 17 17 TRP HZ2 H . . . 1 1 17 17 TRP HE1 H . . . . . 2.8 1.8 2.8 . . . . . A . 17 TRP HZ2 . . A . 17 TRP HE1 . 1 . 17 TRP HZ2 . . . 1 . 17 TRP HE1 . . rr_2mua 1
131 1 . . 1 1 14 14 GLN HE21 H . . . 1 1 14 14 GLN HE22 H . . . . . 2.8 1.8 2.8 . . . . . A . 14 GLN HE21 . . A . 14 GLN HE22 . 1 . 14 GLN HE21 . . . 1 . 14 GLN HE22 . . rr_2mua 1
132 1 . . 1 1 1 1 TYR QD H . . . 1 1 1 1 TYR QE H . . . . . 2.8 1.8 6.8 . . . . . A . 1 TYR QD . . A . 1 TYR QE . 1 . 1 TYR HD* . . . 1 . 1 TYR HE* . . rr_2mua 1
133 1 . . 1 1 4 4 ARG QH1 H . . . 1 1 4 4 ARG QH2 H . . . . . 3.5 2.8 5.5 . . . . . A . 4 ARG QH1 . . A . 4 ARG QH2 . 1 . 4 ARG HH1* . . . 1 . 4 ARG HH2* . . rr_2mua 1
134 1 . . 1 1 17 17 TRP HZ2 H . . . 1 1 17 17 TRP HZ3 H . . . . . 5.0 3.5 5.0 . . . . . A . 17 TRP HZ2 . . A . 17 TRP HZ3 . 1 . 17 TRP HZ2 . . . 1 . 17 TRP HZ3 . . rr_2mua 1
135 1 . . 1 1 17 17 TRP HE3 H . . . 1 1 17 17 TRP HZ3 H . . . . . 2.8 1.8 2.8 . . . . . A . 17 TRP HE3 . . A . 17 TRP HZ3 . 1 . 17 TRP HE3 . . . 1 . 17 TRP HZ3 . . rr_2mua 1
136 1 . . 1 1 17 17 TRP HE3 H . . . 1 1 17 17 TRP HD1 H . . . . . 5.0 3.5 5.0 . . . . . A . 17 TRP HE3 . . A . 17 TRP HD1 . 1 . 17 TRP HE3 . . . 1 . 17 TRP HD1 . . rr_2mua 1
137 1 . . 1 1 17 17 TRP HD1 H . . . 1 1 17 17 TRP H H . . . . . 2.8 1.8 2.8 . . . . . A . 17 TRP HD1 . . A . 17 TRP H . 1 . 17 TRP HD1 . . . 1 . 17 TRP HN . . rr_2mua 1
138 1 . . 1 1 17 17 TRP HD1 H . . . 1 1 18 18 ASP H H . . . . . 5.0 3.5 5.0 . . . . . A . 17 TRP HD1 . . A . 18 ASP H . 1 . 17 TRP HD1 . . . 1 . 18 ASP HN . . rr_2mua 1
139 1 . . 1 1 17 17 TRP HE3 H . . . 1 1 17 17 TRP H H . . . . . 5.0 3.5 5.0 . . . . . A . 17 TRP HE3 . . A . 17 TRP H . 1 . 17 TRP HE3 . . . 1 . 17 TRP HN . . rr_2mua 1
140 1 . . 1 1 17 17 TRP HE3 H . . . 1 1 18 18 ASP H H . . . . . 3.5 2.8 3.5 . . . . . A . 17 TRP HE3 . . A . 18 ASP H . 1 . 17 TRP HE3 . . . 1 . 18 ASP HN . . rr_2mua 1
141 1 . . 1 1 3 3 GLY H H . . . 1 1 4 4 ARG H H . . . . . 3.5 2.8 3.5 . . . . . A . 3 GLY H . . A . 4 ARG H . 1 . 3 GLY HN . . . 1 . 4 ARG HN . . rr_2mua 1
142 1 . . 1 1 2 2 LEU H H . . . 1 1 3 3 GLY H H . . . . . 3.5 2.8 3.5 . . . . . A . 2 LEU H . . A . 3 GLY H . 1 . 2 LEU HN . . . 1 . 3 GLY HN . . rr_2mua 1
143 1 . . 1 1 11 11 LYS H H . . . 1 1 12 12 LYS H H . . . . . 2.8 1.8 2.8 . . . . . A . 11 LYS H . . A . 12 LYS H . 1 . 11 LYS HN . . . 1 . 12 LYS HN . . rr_2mua 1
144 1 . . 1 1 9 9 ILE H H . . . 1 1 10 10 ILE H H . . . . . 2.8 1.8 2.8 . . . . . A . 9 ILE H . . A . 10 ILE H . 1 . 9 ILE HN . . . 1 . 10 ILE HN . . rr_2mua 1
145 1 . . 1 1 8 8 ASP H H . . . 1 1 10 10 ILE H H . . . . . 5.0 3.5 5.0 . . . . . A . 8 ASP H . . A . 10 ILE H . 1 . 8 ASP HN . . . 1 . 10 ILE HN . . rr_2mua 1
146 1 . . 1 1 8 8 ASP H H . . . 1 1 9 9 ILE H H . . . . . 2.8 1.8 2.8 . . . . . A . 8 ASP H . . A . 9 ILE H . 1 . 8 ASP HN . . . 1 . 9 ILE HN . . rr_2mua 1
147 1 . . 1 1 8 8 ASP H H . . . 1 1 7 7 GLY H H . . . . . 2.8 1.8 2.8 . . . . . A . 8 ASP H . . A . 7 GLY H . 1 . 8 ASP HN . . . 1 . 7 GLY HN . . rr_2mua 1
148 1 . . 1 1 9 9 ILE H H . . . 1 1 7 7 GLY H H . . . . . 5.0 3.5 5.0 . . . . . A . 9 ILE H . . A . 7 GLY H . 1 . 9 ILE HN . . . 1 . 7 GLY HN . . rr_2mua 1
149 1 . . 1 1 13 13 MET H H . . . 1 1 12 12 LYS H H . . . . . 2.8 1.8 2.8 . . . . . A . 13 MET H . . A . 12 LYS H . 1 . 13 MET HN . . . 1 . 12 LYS HN . . rr_2mua 1
150 1 . . 1 1 15 15 THR H H . . . 1 1 14 14 GLN H H . . . . . 3.5 2.8 3.5 . . . . . A . 15 THR H . . A . 14 GLN H . 1 . 15 THR HN . . . 1 . 14 GLN HN . . rr_2mua 1
151 1 . . 1 1 16 16 LEU H H . . . 1 1 17 17 TRP H H . . . . . 3.5 2.8 3.5 . . . . . A . 16 LEU H . . A . 17 TRP H . 1 . 16 LEU HN . . . 1 . 17 TRP HN . . rr_2mua 1
152 1 . . 1 1 16 16 LEU H H . . . 1 1 18 18 ASP H H . . . . . 5.0 3.5 5.0 . . . . . A . 16 LEU H . . A . 18 ASP H . 1 . 16 LEU HN . . . 1 . 18 ASP HN . . rr_2mua 1
153 1 . . 1 1 18 18 ASP H H . . . 1 1 19 19 GLU H H . . . . . 3.5 2.8 3.5 . . . . . A . 18 ASP H . . A . 19 GLU H . 1 . 18 ASP HN . . . 1 . 19 GLU HN . . rr_2mua 1
154 1 . . 1 1 5 5 SER H H . . . 1 1 4 4 ARG H H . . . . . 3.5 2.8 3.5 . . . . . A . 5 SER H . . A . 4 ARG H . 1 . 5 SER HN . . . 1 . 4 ARG HN . . rr_2mua 1
155 1 . . 1 1 20 20 ILE H H . . . 1 1 19 19 GLU H H . . . . . 3.5 2.8 3.5 . . . . . A . 20 ILE H . . A . 19 GLU H . 1 . 20 ILE HN . . . 1 . 19 GLU HN . . rr_2mua 1
156 1 . . 1 1 5 5 SER H H . . . 1 1 6 6 GLY H H . . . . . 3.5 2.8 3.5 . . . . . A . 5 SER H . . A . 6 GLY H . 1 . 5 SER HN . . . 1 . 6 GLY HN . . rr_2mua 1
157 1 . . 1 1 14 14 GLN H H . . . 1 1 13 13 MET H H . . . . . 3.5 2.8 3.5 . . . . . A . 14 GLN H . . A . 13 MET H . 1 . 14 GLN HN . . . 1 . 13 MET HN . . rr_2mua 1
158 1 . . 1 1 18 18 ASP H H . . . 1 1 17 17 TRP H H . . . . . 2.8 1.8 2.8 . . . . . A . 18 ASP H . . A . 17 TRP H . 1 . 18 ASP HN . . . 1 . 17 TRP HN . . rr_2mua 1
159 1 . . 1 1 18 18 ASP H H . . . 1 1 20 20 ILE H H . . . . . 5.0 3.5 5.0 . . . . . A . 18 ASP H . . A . 20 ILE H . 1 . 18 ASP HN . . . 1 . 20 ILE HN . . rr_2mua 1
160 1 . . 1 1 19 19 GLU H H . . . 1 1 17 17 TRP H H . . . . . 5.0 3.5 5.0 . . . . . A . 19 GLU H . . A . 17 TRP H . 1 . 19 GLU HN . . . 1 . 17 TRP HN . . rr_2mua 1
161 1 . . 1 1 11 11 LYS H H . . . 1 1 13 13 MET H H . . . . . 5.0 3.5 5.0 . . . . . A . 11 LYS H . . A . 13 MET H . 1 . 11 LYS HN . . . 1 . 13 MET HN . . rr_2mua 1
162 1 . . 1 1 15 15 THR HA H . . . 1 1 15 15 THR HB H . . . . . 2.8 1.8 2.8 . . . . . A . 15 THR HA . . A . 15 THR HB . 1 . 15 THR HA . . . 1 . 15 THR HB . . rr_2mua 1
163 1 . . 1 1 18 18 ASP HA H . . . 1 1 18 18 ASP HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 18 ASP HA . . A . 18 ASP HB2 . 1 . 18 ASP HA . . . 1 . 18 ASP HBS . . rr_2mua 1
164 1 OR . 1 1 17 17 TRP HA H . . . 1 1 17 17 TRP HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 17 TRP HA . . A . 17 TRP HB2 . 1 . 17 TRP HA . . . 1 . 17 TRP HB* . . rr_2mua 1
164 2 OR . 1 1 17 17 TRP HA H . . . 1 1 17 17 TRP HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 17 TRP HA . . A . 17 TRP HB3 . 1 . 17 TRP HA . . . 1 . 17 TRP HB* . . rr_2mua 1
165 1 OR . 1 1 14 14 GLN HA H . . . 1 1 17 17 TRP HB2 H . . . . . 5.0 3.5 6.0 . . . . . A . 14 GLN HA . . A . 17 TRP HB2 . 1 . 14 GLN HA . . . 1 . 17 TRP HB* . . rr_2mua 1
165 2 OR . 1 1 14 14 GLN HA H . . . 1 1 17 17 TRP HB3 H . . . . . 5.0 3.5 6.0 . . . . . A . 14 GLN HA . . A . 17 TRP HB3 . 1 . 14 GLN HA . . . 1 . 17 TRP HB* . . rr_2mua 1
166 1 . . 1 1 15 15 THR HB H . . . 1 1 18 18 ASP HB2 H . . . . . 5.0 3.5 5.0 . . . . . A . 15 THR HB . . A . 18 ASP HB2 . 1 . 15 THR HB . . . 1 . 18 ASP HBS . . rr_2mua 1
167 1 . . 1 1 15 15 THR HB H . . . 1 1 18 18 ASP HB3 H . . . . . 5.0 3.5 5.0 . . . . . A . 15 THR HB . . A . 18 ASP HB3 . 1 . 15 THR HB . . . 1 . 18 ASP HBR . . rr_2mua 1
168 1 . . 1 1 18 18 ASP HA H . . . 1 1 18 18 ASP HB3 H . . . . . 3.5 2.8 3.5 . . . . . A . 18 ASP HA . . A . 18 ASP HB3 . 1 . 18 ASP HA . . . 1 . 18 ASP HBR . . rr_2mua 1
169 1 OR . 1 1 1 1 TYR HA H . . . 1 1 1 1 TYR HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 1 TYR HA . . A . 1 TYR HB2 . 1 . 1 TYR HA . . . 1 . 1 TYR HB* . . rr_2mua 1
169 2 OR . 1 1 1 1 TYR HA H . . . 1 1 1 1 TYR HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 1 TYR HA . . A . 1 TYR HB3 . 1 . 1 TYR HA . . . 1 . 1 TYR HB* . . rr_2mua 1
170 1 OR . 1 1 8 8 ASP HA H . . . 1 1 11 11 LYS HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 8 ASP HA . . A . 11 LYS HB2 . 1 . 8 ASP HA . . . 1 . 11 LYS HB* . . rr_2mua 1
170 2 OR . 1 1 8 8 ASP HA H . . . 1 1 11 11 LYS HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 8 ASP HA . . A . 11 LYS HB3 . 1 . 8 ASP HA . . . 1 . 11 LYS HB* . . rr_2mua 1
171 1 . . 1 1 11 11 LYS HA H . . . 1 1 14 14 GLN HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 11 LYS HA . . A . 14 GLN HB2 . 1 . 11 LYS HA . . . 1 . 14 GLN HBR . . rr_2mua 1
172 1 . . 1 1 11 11 LYS HA H . . . 1 1 14 14 GLN HB3 H . . . . . 5.0 3.5 5.0 . . . . . A . 11 LYS HA . . A . 14 GLN HB3 . 1 . 11 LYS HA . . . 1 . 14 GLN HBS . . rr_2mua 1
173 1 OR . 1 1 10 10 ILE HA H . . . 1 1 13 13 MET HB2 H . . . . . 3.5 2.8 4.5 . . . . . A . 10 ILE HA . . A . 13 MET HB2 . 1 . 10 ILE HA . . . 1 . 13 MET HB* . . rr_2mua 1
173 2 OR . 1 1 10 10 ILE HA H . . . 1 1 13 13 MET HB3 H . . . . . 3.5 2.8 4.5 . . . . . A . 10 ILE HA . . A . 13 MET HB3 . 1 . 10 ILE HA . . . 1 . 13 MET HB* . . rr_2mua 1
174 1 OR . 1 1 9 9 ILE HB H . . . 1 1 6 6 GLY HA2 H . . . . . 5.0 3.5 6.0 . . . . . A . 9 ILE HB . . A . 6 GLY HA2 . 1 . 9 ILE HB . . . 1 . 6 GLY HA* . . rr_2mua 1
174 2 OR . 1 1 6 6 GLY HA3 H . . . 1 1 9 9 ILE HB H . . . . . 5.0 3.5 6.0 . . . . . A . 6 GLY HA3 . . A . 9 ILE HB . 1 . 6 GLY HA* . . . 1 . 9 ILE HB . . rr_2mua 1
175 1 OR . 1 1 10 10 ILE HB H . . . 1 1 7 7 GLY HA2 H . . . . . 5.0 3.5 6.0 . . . . . A . 10 ILE HB . . A . 7 GLY HA2 . 1 . 10 ILE HB . . . 1 . 7 GLY HA* . . rr_2mua 1
175 2 OR . 1 1 7 7 GLY HA3 H . . . 1 1 10 10 ILE HB H . . . . . 5.0 3.5 6.0 . . . . . A . 7 GLY HA3 . . A . 10 ILE HB . 1 . 7 GLY HA* . . . 1 . 10 ILE HB . . rr_2mua 1
176 1 . . 1 1 15 15 THR HB H . . . 1 1 15 15 THR MG H . . . . . 2.8 1.8 3.8 . . . . . A . 15 THR HB . . A . 15 THR MG . 1 . 15 THR HB . . . 1 . 15 THR HG2* . . rr_2mua 1
177 1 . . 1 1 15 15 THR HA H . . . 1 1 15 15 THR MG H . . . . . 2.8 1.8 3.8 . . . . . A . 15 THR HA . . A . 15 THR MG . 1 . 15 THR HA . . . 1 . 15 THR HG2* . . rr_2mua 1
178 1 . . 1 1 18 18 ASP HB2 H . . . 1 1 18 18 ASP HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 18 ASP HB2 . . A . 18 ASP HB3 . 1 . 18 ASP HBS . . . 1 . 18 ASP HBR . . rr_2mua 1
179 1 . . 1 1 15 15 THR H H . . . 1 1 12 12 LYS HA H . . . . . 5.0 3.5 5.0 . . . . . A . 15 THR H . . A . 12 LYS HA . 1 . 15 THR HN . . . 1 . 12 LYS HA . . rr_2mua 1
180 1 . . 1 1 14 14 GLN HA H . . . 1 1 17 17 TRP H H . . . . . 5.0 3.5 5.0 . . . . . A . 14 GLN HA . . A . 17 TRP H . 1 . 14 GLN HA . . . 1 . 17 TRP HN . . rr_2mua 1
181 1 OR . 1 1 11 11 LYS H H . . . 1 1 7 7 GLY HA2 H . . . . . 5.0 3.5 6.0 . . . . . A . 11 LYS H . . A . 7 GLY HA2 . 1 . 11 LYS HN . . . 1 . 7 GLY HA* . . rr_2mua 1
181 2 OR . 1 1 11 11 LYS H H . . . 1 1 7 7 GLY HA3 H . . . . . 5.0 3.5 6.0 . . . . . A . 11 LYS H . . A . 7 GLY HA3 . 1 . 11 LYS HN . . . 1 . 7 GLY HA* . . rr_2mua 1
182 1 . . 1 1 15 15 THR H H . . . 1 1 11 11 LYS HA H . . . . . 5.0 3.5 5.0 . . . . . A . 15 THR H . . A . 11 LYS HA . 1 . 15 THR HN . . . 1 . 11 LYS HA . . rr_2mua 1
183 1 . . 1 1 13 13 MET HA H . . . 1 1 17 17 TRP H H . . . . . 5.0 3.5 5.0 . . . . . A . 13 MET HA . . A . 17 TRP H . 1 . 13 MET HA . . . 1 . 17 TRP HN . . rr_2mua 1
184 1 . . 1 1 15 15 THR HA H . . . 1 1 19 19 GLU H H . . . . . 3.5 2.8 3.5 . . . . . A . 15 THR HA . . A . 19 GLU H . 1 . 15 THR HA . . . 1 . 19 GLU HN . . rr_2mua 1
185 1 . . 1 1 20 20 ILE H H . . . 1 1 16 16 LEU HA H . . . . . 5.0 3.5 5.0 . . . . . A . 20 ILE H . . A . 16 LEU HA . 1 . 20 ILE HN . . . 1 . 16 LEU HA . . rr_2mua 1
186 1 . . 1 1 16 16 LEU H H . . . 1 1 14 14 GLN HA H . . . . . 5.0 3.5 5.0 . . . . . A . 16 LEU H . . A . 14 GLN HA . 1 . 16 LEU HN . . . 1 . 14 GLN HA . . rr_2mua 1
187 1 . . 1 1 11 11 LYS H H . . . 1 1 10 10 ILE HA H . . . . . 3.5 2.8 3.5 . . . . . A . 11 LYS H . . A . 10 ILE HA . 1 . 11 LYS HN . . . 1 . 10 ILE HA . . rr_2mua 1
188 1 . . 1 1 15 15 THR H H . . . 1 1 14 14 GLN HA H . . . . . 3.5 2.8 3.5 . . . . . A . 15 THR H . . A . 14 GLN HA . 1 . 15 THR HN . . . 1 . 14 GLN HA . . rr_2mua 1
189 1 . . 1 1 16 16 LEU HA H . . . 1 1 17 17 TRP H H . . . . . 3.5 2.8 3.5 . . . . . A . 16 LEU HA . . A . 17 TRP H . 1 . 16 LEU HA . . . 1 . 17 TRP HN . . rr_2mua 1
190 1 . . 1 1 18 18 ASP HA H . . . 1 1 19 19 GLU H H . . . . . 3.5 2.8 3.5 . . . . . A . 18 ASP HA . . A . 19 GLU H . 1 . 18 ASP HA . . . 1 . 19 GLU HN . . rr_2mua 1
191 1 OR . 1 1 6 6 GLY H H . . . 1 1 5 5 SER HB2 H . . . . . 3.5 2.8 4.5 . . . . . A . 6 GLY H . . A . 5 SER HB2 . 1 . 6 GLY HN . . . 1 . 5 SER HB* . . rr_2mua 1
191 2 OR . 1 1 6 6 GLY H H . . . 1 1 5 5 SER HB3 H . . . . . 3.5 2.8 4.5 . . . . . A . 6 GLY H . . A . 5 SER HB3 . 1 . 6 GLY HN . . . 1 . 5 SER HB* . . rr_2mua 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 NOE_distance 1 1 1 13 rr_2mua 1
2 strong: 2 87 2 94 rr_2mua 1
3 strong: 3 87 3 94 rr_2mua 1
4 medium: 4 87 4 94 rr_2mua 1
5 weak: 5 87 5 92 rr_2mua 1
6 medium: 6 87 6 100 rr_2mua 1
7 medium: 7 87 7 102 rr_2mua 1
8 medium: 8 87 8 100 rr_2mua 1
9 weak: 9 87 9 101 rr_2mua 1
10 medium: 10 87 10 109 rr_2mua 1
11 weak: 11 87 11 100 rr_2mua 1
12 weak: 12 87 12 100 rr_2mua 1
13 weak: 13 87 13 100 rr_2mua 1
14 weak: 14 87 14 100 rr_2mua 1
15 medium: 15 87 15 109 rr_2mua 1
16 weak: 16 87 16 100 rr_2mua 1
17 weak: 17 87 17 101 rr_2mua 1
18 strong: 18 87 18 102 rr_2mua 1
19 medium: 19 87 19 101 rr_2mua 1
20 medium: 20 87 20 102 rr_2mua 1
21 strong: 21 87 21 102 rr_2mua 1
22 strong: 22 87 22 102 rr_2mua 1
23 weak: 23 87 23 101 rr_2mua 1
24 weak: 24 87 24 99 rr_2mua 1
25 medium: 25 87 25 102 rr_2mua 1
26 weak: 26 87 26 101 rr_2mua 1
27 medium: 27 87 27 103 rr_2mua 1
28 medium: 28 87 28 102 rr_2mua 1
29 strong: 29 87 29 102 rr_2mua 1
30 strong: 30 87 30 107 rr_2mua 1
31 medium: 31 87 31 102 rr_2mua 1
32 weak: 32 87 32 100 rr_2mua 1
33 weak: 33 87 33 100 rr_2mua 1
34 weak: 34 87 34 99 rr_2mua 1
35 medium: 35 87 35 102 rr_2mua 1
36 strong: 36 87 36 102 rr_2mua 1
37 medium: 37 87 37 103 rr_2mua 1
38 strong: 38 87 38 102 rr_2mua 1
39 strong: 39 87 39 102 rr_2mua 1
40 medium: 40 87 40 102 rr_2mua 1
41 medium: 41 87 41 102 rr_2mua 1
42 medium: 42 87 42 102 rr_2mua 1
43 weak: 43 87 43 100 rr_2mua 1
44 medium: 44 87 44 103 rr_2mua 1
45 weak: 45 87 45 101 rr_2mua 1
46 strong: 46 87 46 102 rr_2mua 1
47 strong: 47 87 47 102 rr_2mua 1
48 strong: 48 87 48 102 rr_2mua 1
49 strong: 49 87 49 102 rr_2mua 1
50 strong: 50 87 50 102 rr_2mua 1
51 strong: 51 87 51 102 rr_2mua 1
52 medium: 52 87 52 166 rr_2mua 1
53 medium: 53 87 53 116 rr_2mua 1
54 medium: 54 87 54 102 rr_2mua 1
55 strong: 55 87 55 102 rr_2mua 1
56 medium: 56 87 56 102 rr_2mua 1
57 weak: 57 87 57 101 rr_2mua 1
58 weak: 58 87 58 100 rr_2mua 1
59 weak: 59 87 59 99 rr_2mua 1
60 medium: 60 87 60 102 rr_2mua 1
61 weak: 61 87 61 100 rr_2mua 1
62 weak: 62 87 62 100 rr_2mua 1
63 weak: 63 87 63 102 rr_2mua 1
64 strong: 64 87 64 102 rr_2mua 1
65 weak: 65 87 65 101 rr_2mua 1
66 strong: 66 87 66 102 rr_2mua 1
67 weak: 67 87 67 99 rr_2mua 1
68 weak: 68 87 68 100 rr_2mua 1
69 strong: 69 87 69 102 rr_2mua 1
70 strong: 70 87 70 102 rr_2mua 1
71 strong: 71 87 71 102 rr_2mua 1
72 weak: 72 87 72 100 rr_2mua 1
73 strong: 73 87 73 102 rr_2mua 1
74 medium: 74 87 74 129 rr_2mua 1
75 medium: 75 87 75 102 rr_2mua 1
76 strong: 76 87 76 102 rr_2mua 1
77 medium: 77 87 77 102 rr_2mua 1
78 medium: 78 87 78 102 rr_2mua 1
79 strong: 79 87 79 101 rr_2mua 1
80 medium: 80 87 80 101 rr_2mua 1
81 medium: 81 87 81 102 rr_2mua 1
82 strong: 82 87 82 102 rr_2mua 1
83 medium: 83 87 83 102 rr_2mua 1
84 medium: 84 87 84 102 rr_2mua 1
85 weak: 85 87 85 100 rr_2mua 1
86 weak: 86 87 86 98 rr_2mua 1
87 strong: 87 87 87 102 rr_2mua 1
88 medium: 88 87 88 102 rr_2mua 1
89 weak: 89 87 89 98 rr_2mua 1
90 weak: 90 87 90 93 rr_2mua 1
91 strong: 91 87 91 102 rr_2mua 1
92 strong: 92 87 92 102 rr_2mua 1
93 strong: 93 87 93 102 rr_2mua 1
94 strong: 94 87 94 102 rr_2mua 1
95 medium: 95 87 95 102 rr_2mua 1
96 strong: 96 87 96 102 rr_2mua 1
97 strong: 97 87 97 102 rr_2mua 1
98 strong: 98 87 98 103 rr_2mua 1
99 strong: 99 87 99 102 rr_2mua 1
100 medium: 100 87 100 102 rr_2mua 1
101 strong: 101 87 101 102 rr_2mua 1
102 weak: 102 87 102 100 rr_2mua 1
103 weak: 103 87 103 100 rr_2mua 1
104 strong: 104 87 104 102 rr_2mua 1
105 medium: 105 87 105 101 rr_2mua 1
106 weak: 106 87 106 100 rr_2mua 1
107 weak: 107 87 107 101 rr_2mua 1
108 strong: 108 87 108 101 rr_2mua 1
109 strong: 109 87 109 102 rr_2mua 1
110 strong: 110 87 110 102 rr_2mua 1
111 medium: 111 87 111 102 rr_2mua 1
112 strong: 112 87 112 102 rr_2mua 1
113 weak: 113 87 113 101 rr_2mua 1
114 weak: 114 87 114 101 rr_2mua 1
115 weak: 115 87 115 111 rr_2mua 1
116 weak: 116 87 116 101 rr_2mua 1
117 strong: 117 87 117 109 rr_2mua 1
118 medium: 118 87 118 102 rr_2mua 1
119 medium: 119 87 119 102 rr_2mua 1
120 medium: 120 87 120 102 rr_2mua 1
121 weak: 121 87 121 102 rr_2mua 1
122 weak: 122 87 122 101 rr_2mua 1
123 weak: 123 87 123 100 rr_2mua 1
124 weak: 124 87 124 99 rr_2mua 1
125 medium: 125 87 125 101 rr_2mua 1
126 medium: 126 87 126 102 rr_2mua 1
127 medium: 127 87 127 102 rr_2mua 1
128 strong: 128 87 128 102 rr_2mua 1
129 medium: 129 87 129 103 rr_2mua 1
130 weak: 130 87 130 100 rr_2mua 1
131 weak: 131 87 131 97 rr_2mua 1
132 medium: 132 87 132 108 rr_2mua 1
133 weak: 133 87 133 98 rr_2mua 1
134 weak: 134 87 134 100 rr_2mua 1
135 weak: 135 87 135 100 rr_2mua 1
136 weak: 136 87 136 99 rr_2mua 1
137 strong: 137 87 137 102 rr_2mua 1
138 strong: 138 87 138 102 rr_2mua 1
139 medium: 139 87 139 102 rr_2mua 1
140 strong: 140 87 140 102 rr_2mua 1
141 weak: 141 87 141 102 rr_2mua 1
142 weak: 142 87 142 100 rr_2mua 1
143 strong: 143 87 143 102 rr_2mua 1
144 strong: 144 87 144 102 rr_2mua 1
145 strong: 145 87 145 102 rr_2mua 1
146 medium: 146 87 146 108 rr_2mua 1
147 weak: 147 87 147 103 rr_2mua 1
148 strong: 148 87 148 102 rr_2mua 1
149 weak: 149 87 149 105 rr_2mua 1
150 strong: 150 87 150 100 rr_2mua 1
151 weak: 151 87 151 100 rr_2mua 1
152 weak: 152 87 152 102 rr_2mua 1
153 medium: 153 87 153 100 rr_2mua 1
154 medium: 154 87 154 103 rr_2mua 1
155 medium: 155 87 155 103 rr_2mua 1
156 strong: 156 87 156 102 rr_2mua 1
157 strong: 157 87 157 95 rr_2mua 1
158 weak: 158 87 158 93 rr_2mua 1
159 strong: 159 87 159 95 rr_2mua 1
160 strong: 160 87 160 118 rr_2mua 1
161 weak: 161 87 161 99 rr_2mua 1
162 strong: 162 87 162 102 rr_2mua 1
163 medium: 163 87 163 102 rr_2mua 1
164 medium: 164 87 164 103 rr_2mua 1
165 weak: 165 87 165 100 rr_2mua 1
166 medium: 166 87 166 103 rr_2mua 1
167 medium: 167 87 167 101 rr_2mua 1
168 medium: 168 87 168 109 rr_2mua 1
169 medium: 169 87 169 101 rr_2mua 1
170 medium: 170 87 170 102 rr_2mua 1
171 strong: 171 87 171 101 rr_2mua 1
172 weak: 172 87 172 99 rr_2mua 1
173 weak: 173 87 173 102 rr_2mua 1
174 weak: 174 87 174 100 rr_2mua 1
175 strong: 175 87 175 100 rr_2mua 1
176 strong: 176 87 176 101 rr_2mua 1
177 strong: 177 87 177 101 rr_2mua 1
178 weak: 178 87 178 102 rr_2mua 1
179 weak: 179 87 179 100 rr_2mua 1
180 weak: 180 87 180 100 rr_2mua 1
181 medium: 181 87 181 102 rr_2mua 1
182 strong: 182 87 182 95 rr_2mua 1
183 strong: 183 87 183 109 rr_2mua 1
184 strong: 184 87 184 103 rr_2mua 1
185 weak: 185 87 185 99 rr_2mua 1
186 medium: 186 87 186 101 rr_2mua 1
187 weak: 187 87 187 93 rr_2mua 1
188 weak: 188 87 188 99 rr_2mua 1
189 strong: 189 87 189 102 rr_2mua 1
190 strong: 190 87 190 102 rr_2mua 1
191 strong: 191 87 191 95 rr_2mua 1
192 weak: 192 87 192 94 rr_2mua 1
193 weak: 193 87 193 92 rr_2mua 1
194 weak: 194 87 194 95 rr_2mua 1
195 weak: 195 87 195 92 rr_2mua 1
196 weak: 196 87 196 92 rr_2mua 1
197 medium: 197 87 197 94 rr_2mua 1
198 weak: 198 87 198 92 rr_2mua 1
199 weak: 199 87 199 92 rr_2mua 1
200 medium: 200 87 200 94 rr_2mua 1
201 medium: 201 87 201 94 rr_2mua 1
202 medium: 202 87 202 94 rr_2mua 1
203 medium: 203 87 203 94 rr_2mua 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 5 5 1 "Not handling restraint 5, item 1, resonance(s) '1.1.HN' (nmrStar names) not linked" rr_2mua 1
2 5 10 1 "Not handling restraint 10, item 1, resonance(s) '1.22.HN1' (nmrStar names) not linked" rr_2mua 1
3 5 11 1 "Not handling restraint 11, item 1, resonance(s) '1.22.HN2' (nmrStar names) not linked" rr_2mua 1
4 5 12 1 "Not handling restraint 12, item 1, resonance(s) '1.22.HN2' (nmrStar names) not linked" rr_2mua 1
5 5 13 1 "Not handling restraint 13, item 1, resonance(s) '1.22.HN1' (nmrStar names) not linked" rr_2mua 1
6 5 72 1 "Not handling restraint 72, item 1, resonance(s) '1.1.HN' (nmrStar names) not linked" rr_2mua 1
7 5 72 1 "Not handling restraint 72, item 1, resonance(s) '1.1.HN' (nmrStar names) not linked" rr_2mua 1
8 5 95 1 "Not handling restraint 95, item 1, resonance(s) '1.1.HN' (nmrStar names) not linked" rr_2mua 1
9 5 95 1 "Not handling restraint 95, item 1, resonance(s) '1.1.HN' (nmrStar names) not linked" rr_2mua 1
10 5 138 1 "Not handling restraint 138, item 1, resonance(s) '1.22.HN2' (nmrStar names) not linked" rr_2mua 1
11 5 139 1 "Not handling restraint 139, item 1, resonance(s) '1.22.HN1' (nmrStar names) not linked" rr_2mua 1
12 5 140 1 "Not handling restraint 140, item 1, resonance(s) '1.22.HN2' (nmrStar names) not linked" rr_2mua 1
13 5 141 1 "Not handling restraint 141, item 1, resonance(s) '1.22.HN1' (nmrStar names) not linked" rr_2mua 1
14 5 144 1 "Not handling restraint 144, item 1, resonance(s) '1.22.HN1' (nmrStar names),'1.22.HN2' (nmrStar names) not linked" rr_2mua 1
stop_
save_
save_Discover_distance_constraints_4
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode Discover_distance_constraints_4
_Gen_dist_constraint_list.Entry_ID rr_2mua
_Gen_dist_constraint_list.ID 1
_Gen_dist_constraint_list.Constraint_type "hydrogen bond"
_Gen_dist_constraint_list.Details "Generated by Wattos"
_Gen_dist_constraint_list.Constraint_file_ID 1
_Gen_dist_constraint_list.Block_ID 4
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_2mua 2
stop_
loop_
_Gen_dist_constraint.ID
_Gen_dist_constraint.Member_ID
_Gen_dist_constraint.Member_logic_code
_Gen_dist_constraint.Assembly_atom_ID_1
_Gen_dist_constraint.Entity_assembly_ID_1
_Gen_dist_constraint.Entity_ID_1
_Gen_dist_constraint.Comp_index_ID_1
_Gen_dist_constraint.Seq_ID_1
_Gen_dist_constraint.Comp_ID_1
_Gen_dist_constraint.Atom_ID_1
_Gen_dist_constraint.Atom_type_1
_Gen_dist_constraint.Atom_isotope_number_1
_Gen_dist_constraint.Resonance_ID_1
_Gen_dist_constraint.Assembly_atom_ID_2
_Gen_dist_constraint.Entity_assembly_ID_2
_Gen_dist_constraint.Entity_ID_2
_Gen_dist_constraint.Comp_index_ID_2
_Gen_dist_constraint.Seq_ID_2
_Gen_dist_constraint.Comp_ID_2
_Gen_dist_constraint.Atom_ID_2
_Gen_dist_constraint.Atom_type_2
_Gen_dist_constraint.Atom_isotope_number_2
_Gen_dist_constraint.Resonance_ID_2
_Gen_dist_constraint.Intensity_val
_Gen_dist_constraint.Intensity_lower_val_err
_Gen_dist_constraint.Intensity_upper_val_err
_Gen_dist_constraint.Distance_val
_Gen_dist_constraint.Distance_lower_bound_val
_Gen_dist_constraint.Distance_upper_bound_val
_Gen_dist_constraint.Contribution_fractional_val
_Gen_dist_constraint.Spectral_peak_ID
_Gen_dist_constraint.Spectral_peak_list_ID
_Gen_dist_constraint.PDB_record_ID_1
_Gen_dist_constraint.PDB_model_num_1
_Gen_dist_constraint.PDB_strand_ID_1
_Gen_dist_constraint.PDB_ins_code_1
_Gen_dist_constraint.PDB_residue_no_1
_Gen_dist_constraint.PDB_residue_name_1
_Gen_dist_constraint.PDB_atom_name_1
_Gen_dist_constraint.PDB_record_ID_2
_Gen_dist_constraint.PDB_model_num_2
_Gen_dist_constraint.PDB_strand_ID_2
_Gen_dist_constraint.PDB_ins_code_2
_Gen_dist_constraint.PDB_residue_no_2
_Gen_dist_constraint.PDB_residue_name_2
_Gen_dist_constraint.PDB_atom_name_2
_Gen_dist_constraint.Auth_entity_assembly_ID_1
_Gen_dist_constraint.Auth_asym_ID_1
_Gen_dist_constraint.Auth_chain_ID_1
_Gen_dist_constraint.Auth_seq_ID_1
_Gen_dist_constraint.Auth_comp_ID_1
_Gen_dist_constraint.Auth_atom_ID_1
_Gen_dist_constraint.Auth_alt_ID_1
_Gen_dist_constraint.Auth_atom_name_1
_Gen_dist_constraint.Auth_entity_assembly_ID_2
_Gen_dist_constraint.Auth_asym_ID_2
_Gen_dist_constraint.Auth_chain_ID_2
_Gen_dist_constraint.Auth_seq_ID_2
_Gen_dist_constraint.Auth_comp_ID_2
_Gen_dist_constraint.Auth_atom_ID_2
_Gen_dist_constraint.Auth_alt_ID_2
_Gen_dist_constraint.Auth_atom_name_2
_Gen_dist_constraint.Entry_ID
_Gen_dist_constraint.Gen_dist_constraint_list_ID
1 1 . . 1 1 21 21 MET H H . . . 1 1 17 17 TRP O O . . . . . . 1.8 2.5 . . . . . A . 21 MET H . . A . 17 TRP O . 1 . 21 MET HN . . . 1 . 17 TRP O . . rr_2mua 2
2 1 . . 1 1 20 20 ILE H H . . . 1 1 16 16 LEU O O . . . . . . 1.8 2.5 . . . . . A . 20 ILE H . . A . 16 LEU O . 1 . 20 ILE HN . . . 1 . 16 LEU O . . rr_2mua 2
3 1 . . 1 1 9 9 ILE H H . . . 1 1 5 5 SER O O . . . . . . 1.8 2.5 . . . . . A . 9 ILE H . . A . 5 SER O . 1 . 9 ILE HN . . . 1 . 5 SER O . . rr_2mua 2
4 1 . . 1 1 11 11 LYS H H . . . 1 1 7 7 GLY O O . . . . . . 1.8 2.5 . . . . . A . 11 LYS H . . A . 7 GLY O . 1 . 11 LYS HN . . . 1 . 7 GLY O . . rr_2mua 2
5 1 . . 1 1 12 12 LYS H H . . . 1 1 8 8 ASP O O . . . . . . 1.8 2.5 . . . . . A . 12 LYS H . . A . 8 ASP O . 1 . 12 LYS HN . . . 1 . 8 ASP O . . rr_2mua 2
6 1 . . 1 1 19 19 GLU H H . . . 1 1 15 15 THR O O . . . . . . 1.8 2.5 . . . . . A . 19 GLU H . . A . 15 THR O . 1 . 19 GLU HN . . . 1 . 15 THR O . . rr_2mua 2
7 1 . . 1 1 15 15 THR H H . . . 1 1 11 11 LYS O O . . . . . . 1.8 2.5 . . . . . A . 15 THR H . . A . 11 LYS O . 1 . 15 THR HN . . . 1 . 11 LYS O . . rr_2mua 2
8 1 . . 1 1 18 18 ASP H H . . . 1 1 14 14 GLN O O . . . . . . 1.8 2.5 . . . . . A . 18 ASP H . . A . 14 GLN O . 1 . 18 ASP HN . . . 1 . 14 GLN O . . rr_2mua 2
9 1 . . 1 1 16 16 LEU H H . . . 1 1 12 12 LYS O O . . . . . . 1.8 2.5 . . . . . A . 16 LEU H . . A . 12 LYS O . 1 . 16 LEU HN . . . 1 . 12 LYS O . . rr_2mua 2
10 1 . . 1 1 14 14 GLN H H . . . 1 1 10 10 ILE O O . . . . . . 1.8 2.5 . . . . . A . 14 GLN H . . A . 10 ILE O . 1 . 14 GLN HN . . . 1 . 10 ILE O . . rr_2mua 2
11 1 . . 1 1 17 17 TRP H H . . . 1 1 13 13 MET O O . . . . . . 1.8 2.5 . . . . . A . 17 TRP H . . A . 13 MET O . 1 . 17 TRP HN . . . 1 . 13 MET O . . rr_2mua 2
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 distance 1 1 1 9 rr_2mua 2
stop_
save_
save_Discover_distance_constraints_5_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode Discover_distance_constraints_5_1
_Distance_constraint_list.Entry_ID rr_2mua
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Details "Generated by Wattos"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 5
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_2mua 1
stop_
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . rr_2mua 1
2 1 . . . rr_2mua 1
3 1 . . . rr_2mua 1
4 1 . . . rr_2mua 1
5 1 . . . rr_2mua 1
6 1 . . . rr_2mua 1
7 1 . . . rr_2mua 1
8 1 . . . rr_2mua 1
9 1 . . . rr_2mua 1
10 1 . . . rr_2mua 1
11 1 . . . rr_2mua 1
12 1 . . . rr_2mua 1
13 1 . . . rr_2mua 1
14 1 . . . rr_2mua 1
15 1 . . . rr_2mua 1
16 1 . . . rr_2mua 1
17 1 . . . rr_2mua 1
18 1 2 . OR rr_2mua 1
18 2 . 3 . rr_2mua 1
18 3 . . . rr_2mua 1
19 1 . . . rr_2mua 1
20 1 2 . OR rr_2mua 1
20 2 . 3 . rr_2mua 1
20 3 . . . rr_2mua 1
21 1 . . . rr_2mua 1
22 1 . . . rr_2mua 1
23 1 . . . rr_2mua 1
24 1 . . . rr_2mua 1
25 1 . . . rr_2mua 1
26 1 . . . rr_2mua 1
27 1 . . . rr_2mua 1
28 1 . . . rr_2mua 1
29 1 . . . rr_2mua 1
30 1 . . . rr_2mua 1
31 1 . . . rr_2mua 1
32 1 . . . rr_2mua 1
33 1 . . . rr_2mua 1
34 1 . . . rr_2mua 1
35 1 . . . rr_2mua 1
36 1 . . . rr_2mua 1
37 1 . . . rr_2mua 1
38 1 . . . rr_2mua 1
39 1 . . . rr_2mua 1
40 1 2 . OR rr_2mua 1
40 2 . 3 . rr_2mua 1
40 3 . . . rr_2mua 1
41 1 2 . OR rr_2mua 1
41 2 . 3 . rr_2mua 1
41 3 . . . rr_2mua 1
42 1 2 . OR rr_2mua 1
42 2 . 3 . rr_2mua 1
42 3 . . . rr_2mua 1
43 1 . . . rr_2mua 1
44 1 . . . rr_2mua 1
45 1 . . . rr_2mua 1
46 1 . . . rr_2mua 1
47 1 . . . rr_2mua 1
48 1 . . . rr_2mua 1
49 1 2 . OR rr_2mua 1
49 2 . 3 . rr_2mua 1
49 3 . . . rr_2mua 1
50 1 . . . rr_2mua 1
51 1 2 . OR rr_2mua 1
51 2 . 3 . rr_2mua 1
51 3 . . . rr_2mua 1
52 1 . . . rr_2mua 1
53 1 . . . rr_2mua 1
54 1 2 . OR rr_2mua 1
54 2 . 3 . rr_2mua 1
54 3 . . . rr_2mua 1
55 1 . . . rr_2mua 1
56 1 . . . rr_2mua 1
57 1 . . . rr_2mua 1
58 1 . . . rr_2mua 1
59 1 . . . rr_2mua 1
60 1 2 . OR rr_2mua 1
60 2 . 3 . rr_2mua 1
60 3 . . . rr_2mua 1
61 1 2 . OR rr_2mua 1
61 2 . 3 . rr_2mua 1
61 3 . . . rr_2mua 1
62 1 . . . rr_2mua 1
63 1 2 . OR rr_2mua 1
63 2 . 3 . rr_2mua 1
63 3 . . . rr_2mua 1
64 1 2 . OR rr_2mua 1
64 2 . 3 . rr_2mua 1
64 3 . . . rr_2mua 1
65 1 2 . OR rr_2mua 1
65 2 . 3 . rr_2mua 1
65 3 . . . rr_2mua 1
66 1 2 . OR rr_2mua 1
66 2 . 3 . rr_2mua 1
66 3 . . . rr_2mua 1
67 1 2 . OR rr_2mua 1
67 2 . 3 . rr_2mua 1
67 3 . . . rr_2mua 1
68 1 . . . rr_2mua 1
69 1 . . . rr_2mua 1
70 1 2 . OR rr_2mua 1
70 2 . 3 . rr_2mua 1
70 3 . . . rr_2mua 1
71 1 . . . rr_2mua 1
72 1 . . . rr_2mua 1
73 1 . . . rr_2mua 1
74 1 . . . rr_2mua 1
75 1 . . . rr_2mua 1
76 1 . . . rr_2mua 1
77 1 . . . rr_2mua 1
78 1 . . . rr_2mua 1
79 1 . . . rr_2mua 1
80 1 . . . rr_2mua 1
81 1 2 . OR rr_2mua 1
81 2 . 3 . rr_2mua 1
81 3 . . . rr_2mua 1
82 1 . . . rr_2mua 1
83 1 . . . rr_2mua 1
84 1 . . . rr_2mua 1
85 1 . . . rr_2mua 1
86 1 2 . OR rr_2mua 1
86 2 . 3 . rr_2mua 1
86 3 . . . rr_2mua 1
87 1 2 . OR rr_2mua 1
87 2 . 3 . rr_2mua 1
87 3 . . . rr_2mua 1
88 1 . . . rr_2mua 1
89 1 . . . rr_2mua 1
90 1 . . . rr_2mua 1
91 1 2 . OR rr_2mua 1
91 2 . 3 . rr_2mua 1
91 3 . . . rr_2mua 1
92 1 . . . rr_2mua 1
93 1 2 . OR rr_2mua 1
93 2 . 3 . rr_2mua 1
93 3 . . . rr_2mua 1
94 1 2 . OR rr_2mua 1
94 2 . 3 . rr_2mua 1
94 3 . . . rr_2mua 1
95 1 . . . rr_2mua 1
96 1 . . . rr_2mua 1
97 1 . . . rr_2mua 1
98 1 . . . rr_2mua 1
99 1 2 . OR rr_2mua 1
99 2 . 3 . rr_2mua 1
99 3 . . . rr_2mua 1
100 1 . . . rr_2mua 1
101 1 2 . OR rr_2mua 1
101 2 . 3 . rr_2mua 1
101 3 . . . rr_2mua 1
102 1 2 . OR rr_2mua 1
102 2 . 3 . rr_2mua 1
102 3 . . . rr_2mua 1
103 1 . . . rr_2mua 1
104 1 . . . rr_2mua 1
105 1 . . . rr_2mua 1
106 1 . . . rr_2mua 1
107 1 . . . rr_2mua 1
108 1 2 . OR rr_2mua 1
108 2 . 3 . rr_2mua 1
108 3 . . . rr_2mua 1
109 1 2 . OR rr_2mua 1
109 2 . 3 . rr_2mua 1
109 3 . . . rr_2mua 1
110 1 . . . rr_2mua 1
111 1 . . . rr_2mua 1
112 1 . . . rr_2mua 1
113 1 . . . rr_2mua 1
114 1 . . . rr_2mua 1
115 1 . . . rr_2mua 1
116 1 . . . rr_2mua 1
117 1 . . . rr_2mua 1
118 1 . . . rr_2mua 1
119 1 . . . rr_2mua 1
120 1 . . . rr_2mua 1
121 1 . . . rr_2mua 1
122 1 . . . rr_2mua 1
123 1 . . . rr_2mua 1
124 1 . . . rr_2mua 1
125 1 . . . rr_2mua 1
126 1 . . . rr_2mua 1
127 1 2 . OR rr_2mua 1
127 2 . 3 . rr_2mua 1
127 3 . . . rr_2mua 1
128 1 2 . OR rr_2mua 1
128 2 . 3 . rr_2mua 1
128 3 . . . rr_2mua 1
129 1 . . . rr_2mua 1
130 1 . . . rr_2mua 1
131 1 . . . rr_2mua 1
132 1 . . . rr_2mua 1
133 1 . . . rr_2mua 1
134 1 . . . rr_2mua 1
135 1 . . . rr_2mua 1
136 1 . . . rr_2mua 1
137 1 . . . rr_2mua 1
138 1 . . . rr_2mua 1
139 1 . . . rr_2mua 1
140 1 . . . rr_2mua 1
141 1 . . . rr_2mua 1
142 1 . . . rr_2mua 1
143 1 . . . rr_2mua 1
144 1 . . . rr_2mua 1
145 1 . . . rr_2mua 1
146 1 . . . rr_2mua 1
147 1 . . . rr_2mua 1
148 1 . . . rr_2mua 1
149 1 . . . rr_2mua 1
150 1 . . . rr_2mua 1
151 1 . . . rr_2mua 1
152 1 . . . rr_2mua 1
153 1 . . . rr_2mua 1
154 1 . . . rr_2mua 1
155 1 . . . rr_2mua 1
156 1 . . . rr_2mua 1
157 1 . . . rr_2mua 1
158 1 . . . rr_2mua 1
159 1 . . . rr_2mua 1
160 1 . . . rr_2mua 1
161 1 . . . rr_2mua 1
162 1 . . . rr_2mua 1
163 1 . . . rr_2mua 1
164 1 2 . OR rr_2mua 1
164 2 . 3 . rr_2mua 1
164 3 . . . rr_2mua 1
165 1 2 . OR rr_2mua 1
165 2 . 3 . rr_2mua 1
165 3 . . . rr_2mua 1
166 1 . . . rr_2mua 1
167 1 . . . rr_2mua 1
168 1 . . . rr_2mua 1
169 1 2 . OR rr_2mua 1
169 2 . 3 . rr_2mua 1
169 3 . . . rr_2mua 1
170 1 2 . OR rr_2mua 1
170 2 . 3 . rr_2mua 1
170 3 . . . rr_2mua 1
171 1 . . . rr_2mua 1
172 1 . . . rr_2mua 1
173 1 2 . OR rr_2mua 1
173 2 . 3 . rr_2mua 1
173 3 . . . rr_2mua 1
174 1 2 . OR rr_2mua 1
174 2 . 3 . rr_2mua 1
174 3 . . . rr_2mua 1
175 1 2 . OR rr_2mua 1
175 2 . 3 . rr_2mua 1
175 3 . . . rr_2mua 1
176 1 . . . rr_2mua 1
177 1 . . . rr_2mua 1
178 1 . . . rr_2mua 1
179 1 . . . rr_2mua 1
180 1 . . . rr_2mua 1
181 1 2 . OR rr_2mua 1
181 2 . 3 . rr_2mua 1
181 3 . . . rr_2mua 1
182 1 . . . rr_2mua 1
183 1 . . . rr_2mua 1
184 1 . . . rr_2mua 1
185 1 . . . rr_2mua 1
186 1 . . . rr_2mua 1
187 1 . . . rr_2mua 1
188 1 . . . rr_2mua 1
189 1 . . . rr_2mua 1
190 1 . . . rr_2mua 1
191 1 2 . OR rr_2mua 1
191 2 . 3 . rr_2mua 1
191 3 . . . rr_2mua 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Contribution_fractional_val
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Atom_type
_Dist_constraint.Atom_isotope_number
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_entity_assembly_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 . 1 . 1 1 2 2 LEU H H . . 1 . 2 LEU HN rr_2mua 1
1 1 . 2 . 1 1 1 1 TYR HA H . . 1 . 1 TYR HA rr_2mua 1
2 1 . 1 . 1 1 8 8 ASP H H . . 1 . 8 ASP HN rr_2mua 1
2 1 . 2 . 1 1 8 8 ASP HA H . . 1 . 8 ASP HA rr_2mua 1
3 1 . 1 . 1 1 9 9 ILE H H . . 1 . 9 ILE HN rr_2mua 1
3 1 . 2 . 1 1 8 8 ASP HA H . . 1 . 8 ASP HA rr_2mua 1
4 1 . 1 . 1 1 11 11 LYS H H . . 1 . 11 LYS HN rr_2mua 1
4 1 . 2 . 1 1 8 8 ASP HA H . . 1 . 8 ASP HA rr_2mua 1
5 1 . 1 . 1 1 15 15 THR H H . . 1 . 15 THR HN rr_2mua 1
5 1 . 2 . 1 1 15 15 THR HA H . . 1 . 15 THR HA rr_2mua 1
6 1 . 1 . 1 1 16 16 LEU H H . . 1 . 16 LEU HN rr_2mua 1
6 1 . 2 . 1 1 15 15 THR HA H . . 1 . 15 THR HA rr_2mua 1
7 1 . 1 . 1 1 17 17 TRP HE3 H . . 1 . 17 TRP HE3 rr_2mua 1
7 1 . 2 . 1 1 18 18 ASP HA H . . 1 . 18 ASP HA rr_2mua 1
8 1 . 1 . 1 1 1 1 TYR QD H . . 1 . 1 TYR HD* rr_2mua 1
8 1 . 2 . 1 1 1 1 TYR HA H . . 1 . 1 TYR HA rr_2mua 1
9 1 . 1 . 1 1 17 17 TRP HD1 H . . 1 . 17 TRP HD1 rr_2mua 1
9 1 . 2 . 1 1 17 17 TRP HA H . . 1 . 17 TRP HA rr_2mua 1
10 1 . 1 . 1 1 17 17 TRP HE3 H . . 1 . 17 TRP HE3 rr_2mua 1
10 1 . 2 . 1 1 14 14 GLN HA H . . 1 . 14 GLN HA rr_2mua 1
11 1 . 1 . 1 1 17 17 TRP HE3 H . . 1 . 17 TRP HE3 rr_2mua 1
11 1 . 2 . 1 1 17 17 TRP HA H . . 1 . 17 TRP HA rr_2mua 1
12 1 . 1 . 1 1 3 3 GLY H H . . 1 . 3 GLY HN rr_2mua 1
12 1 . 2 . 1 1 2 2 LEU HA H . . 1 . 2 LEU HA rr_2mua 1
13 1 . 1 . 1 1 11 11 LYS H H . . 1 . 11 LYS HN rr_2mua 1
13 1 . 2 . 1 1 11 11 LYS HA H . . 1 . 11 LYS HA rr_2mua 1
14 1 . 1 . 1 1 3 3 GLY H H . . 1 . 3 GLY HN rr_2mua 1
14 1 . 2 . 1 1 3 3 GLY HA2 H . . 1 . 3 GLY HAR rr_2mua 1
15 1 . 1 . 1 1 3 3 GLY H H . . 1 . 3 GLY HN rr_2mua 1
15 1 . 2 . 1 1 3 3 GLY HA3 H . . 1 . 3 GLY HAS rr_2mua 1
16 1 . 1 . 1 1 10 10 ILE H H . . 1 . 10 ILE HN rr_2mua 1
16 1 . 2 . 1 1 10 10 ILE HA H . . 1 . 10 ILE HA rr_2mua 1
17 1 . 1 . 1 1 10 10 ILE H H . . 1 . 10 ILE HN rr_2mua 1
17 1 . 2 . 1 1 9 9 ILE HA H . . 1 . 9 ILE HA rr_2mua 1
18 2 . 1 . 1 1 10 10 ILE H H . . 1 . 10 ILE HN rr_2mua 1
18 2 . 2 . 1 1 7 7 GLY HA2 H . . 1 . 7 GLY HA* rr_2mua 1
18 3 . 1 . 1 1 10 10 ILE H H . . 1 . 10 ILE HN rr_2mua 1
18 3 . 2 . 1 1 7 7 GLY HA3 H . . 1 . 7 GLY HA* rr_2mua 1
19 1 . 1 . 1 1 9 9 ILE H H . . 1 . 9 ILE HN rr_2mua 1
19 1 . 2 . 1 1 9 9 ILE HA H . . 1 . 9 ILE HA rr_2mua 1
20 2 . 1 . 1 1 9 9 ILE H H . . 1 . 9 ILE HN rr_2mua 1
20 2 . 2 . 1 1 6 6 GLY HA2 H . . 1 . 6 GLY HA* rr_2mua 1
20 3 . 1 . 1 1 9 9 ILE H H . . 1 . 9 ILE HN rr_2mua 1
20 3 . 2 . 1 1 6 6 GLY HA3 H . . 1 . 6 GLY HA* rr_2mua 1
21 1 . 1 . 1 1 21 21 MET H H . . 1 . 21 MET HN rr_2mua 1
21 1 . 2 . 1 1 21 21 MET HA H . . 1 . 21 MET HA rr_2mua 1
22 1 . 1 . 1 1 16 16 LEU H H . . 1 . 16 LEU HN rr_2mua 1
22 1 . 2 . 1 1 13 13 MET HA H . . 1 . 13 MET HA rr_2mua 1
23 1 . 1 . 1 1 2 2 LEU H H . . 1 . 2 LEU HN rr_2mua 1
23 1 . 2 . 1 1 2 2 LEU HA H . . 1 . 2 LEU HA rr_2mua 1
24 1 . 1 . 1 1 5 5 SER H H . . 1 . 5 SER HN rr_2mua 1
24 1 . 2 . 1 1 5 5 SER HA H . . 1 . 5 SER HA rr_2mua 1
25 1 . 1 . 1 1 14 14 GLN H H . . 1 . 14 GLN HN rr_2mua 1
25 1 . 2 . 1 1 13 13 MET HA H . . 1 . 13 MET HA rr_2mua 1
26 1 . 1 . 1 1 13 13 MET H H . . 1 . 13 MET HN rr_2mua 1
26 1 . 2 . 1 1 10 10 ILE HA H . . 1 . 10 ILE HA rr_2mua 1
27 1 . 1 . 1 1 13 13 MET H H . . 1 . 13 MET HN rr_2mua 1
27 1 . 2 . 1 1 9 9 ILE HA H . . 1 . 9 ILE HA rr_2mua 1
28 1 . 1 . 1 1 14 14 GLN H H . . 1 . 14 GLN HN rr_2mua 1
28 1 . 2 . 1 1 10 10 ILE HA H . . 1 . 10 ILE HA rr_2mua 1
29 1 . 1 . 1 1 12 12 LYS H H . . 1 . 12 LYS HN rr_2mua 1
29 1 . 2 . 1 1 9 9 ILE HA H . . 1 . 9 ILE HA rr_2mua 1
30 1 . 1 . 1 1 18 18 ASP H H . . 1 . 18 ASP HN rr_2mua 1
30 1 . 2 . 1 1 18 18 ASP HA H . . 1 . 18 ASP HA rr_2mua 1
31 1 . 1 . 1 1 13 13 MET H H . . 1 . 13 MET HN rr_2mua 1
31 1 . 2 . 1 1 13 13 MET HA H . . 1 . 13 MET HA rr_2mua 1
32 1 . 1 . 1 1 5 5 SER H H . . 1 . 5 SER HN rr_2mua 1
32 1 . 2 . 1 1 4 4 ARG HA H . . 1 . 4 ARG HA rr_2mua 1
33 1 . 1 . 1 1 4 4 ARG H H . . 1 . 4 ARG HN rr_2mua 1
33 1 . 2 . 1 1 4 4 ARG HA H . . 1 . 4 ARG HA rr_2mua 1
34 1 . 1 . 1 1 20 20 ILE H H . . 1 . 20 ILE HN rr_2mua 1
34 1 . 2 . 1 1 17 17 TRP HA H . . 1 . 17 TRP HA rr_2mua 1
35 1 . 1 . 1 1 20 20 ILE H H . . 1 . 20 ILE HN rr_2mua 1
35 1 . 2 . 1 1 19 19 GLU HA H . . 1 . 19 GLU HA rr_2mua 1
36 1 . 1 . 1 1 19 19 GLU H H . . 1 . 19 GLU HN rr_2mua 1
36 1 . 2 . 1 1 19 19 GLU HA H . . 1 . 19 GLU HA rr_2mua 1
37 1 . 1 . 1 1 19 19 GLU H H . . 1 . 19 GLU HN rr_2mua 1
37 1 . 2 . 1 1 16 16 LEU HA H . . 1 . 16 LEU HA rr_2mua 1
38 1 . 1 . 1 1 20 20 ILE H H . . 1 . 20 ILE HN rr_2mua 1
38 1 . 2 . 1 1 20 20 ILE HA H . . 1 . 20 ILE HA rr_2mua 1
39 1 . 1 . 1 1 21 21 MET H H . . 1 . 21 MET HN rr_2mua 1
39 1 . 2 . 1 1 20 20 ILE HA H . . 1 . 20 ILE HA rr_2mua 1
40 2 . 1 . 1 1 6 6 GLY H H . . 1 . 6 GLY HN rr_2mua 1
40 2 . 2 . 1 1 6 6 GLY HA2 H . . 1 . 6 GLY HA* rr_2mua 1
40 3 . 1 . 1 1 6 6 GLY H H . . 1 . 6 GLY HN rr_2mua 1
40 3 . 2 . 1 1 6 6 GLY HA3 H . . 1 . 6 GLY HA* rr_2mua 1
41 2 . 1 . 1 1 7 7 GLY H H . . 1 . 7 GLY HN rr_2mua 1
41 2 . 2 . 1 1 7 7 GLY HA2 H . . 1 . 7 GLY HA* rr_2mua 1
41 3 . 1 . 1 1 7 7 GLY H H . . 1 . 7 GLY HN rr_2mua 1
41 3 . 2 . 1 1 7 7 GLY HA3 H . . 1 . 7 GLY HA* rr_2mua 1
42 2 . 1 . 1 1 7 7 GLY H H . . 1 . 7 GLY HN rr_2mua 1
42 2 . 2 . 1 1 6 6 GLY HA2 H . . 1 . 6 GLY HA* rr_2mua 1
42 3 . 1 . 1 1 7 7 GLY H H . . 1 . 7 GLY HN rr_2mua 1
42 3 . 2 . 1 1 6 6 GLY HA3 H . . 1 . 6 GLY HA* rr_2mua 1
43 1 . 1 . 1 1 12 12 LYS H H . . 1 . 12 LYS HN rr_2mua 1
43 1 . 2 . 1 1 12 12 LYS HA H . . 1 . 12 LYS HA rr_2mua 1
44 1 . 1 . 1 1 14 14 GLN H H . . 1 . 14 GLN HN rr_2mua 1
44 1 . 2 . 1 1 14 14 GLN HA H . . 1 . 14 GLN HA rr_2mua 1
45 1 . 1 . 1 1 16 16 LEU H H . . 1 . 16 LEU HN rr_2mua 1
45 1 . 2 . 1 1 16 16 LEU HA H . . 1 . 16 LEU HA rr_2mua 1
46 1 . 1 . 1 1 17 17 TRP H H . . 1 . 17 TRP HN rr_2mua 1
46 1 . 2 . 1 1 17 17 TRP HA H . . 1 . 17 TRP HA rr_2mua 1
47 1 . 1 . 1 1 18 18 ASP H H . . 1 . 18 ASP HN rr_2mua 1
47 1 . 2 . 1 1 17 17 TRP HA H . . 1 . 17 TRP HA rr_2mua 1
48 1 . 1 . 1 1 12 12 LYS H H . . 1 . 12 LYS HN rr_2mua 1
48 1 . 2 . 1 1 11 11 LYS HA H . . 1 . 11 LYS HA rr_2mua 1
49 2 . 1 . 1 1 8 8 ASP H H . . 1 . 8 ASP HN rr_2mua 1
49 2 . 2 . 1 1 7 7 GLY HA2 H . . 1 . 7 GLY HA* rr_2mua 1
49 3 . 1 . 1 1 8 8 ASP H H . . 1 . 8 ASP HN rr_2mua 1
49 3 . 2 . 1 1 7 7 GLY HA3 H . . 1 . 7 GLY HA* rr_2mua 1
50 1 . 1 . 1 1 13 13 MET H H . . 1 . 13 MET HN rr_2mua 1
50 1 . 2 . 1 1 12 12 LYS HA H . . 1 . 12 LYS HA rr_2mua 1
51 2 . 1 . 1 1 10 10 ILE H H . . 1 . 10 ILE HN rr_2mua 1
51 2 . 2 . 1 1 6 6 GLY HA2 H . . 1 . 6 GLY HA* rr_2mua 1
51 3 . 1 . 1 1 10 10 ILE H H . . 1 . 10 ILE HN rr_2mua 1
51 3 . 2 . 1 1 6 6 GLY HA3 H . . 1 . 6 GLY HA* rr_2mua 1
52 1 . 1 . 1 1 18 18 ASP H H . . 1 . 18 ASP HN rr_2mua 1
52 1 . 2 . 1 1 15 15 THR HB H . . 1 . 15 THR HB rr_2mua 1
53 1 . 1 . 1 1 18 18 ASP H H . . 1 . 18 ASP HN rr_2mua 1
53 1 . 2 . 1 1 14 14 GLN HA H . . 1 . 14 GLN HA rr_2mua 1
54 2 . 1 . 1 1 5 5 SER H H . . 1 . 5 SER HN rr_2mua 1
54 2 . 2 . 1 1 5 5 SER HB2 H . . 1 . 5 SER HB* rr_2mua 1
54 3 . 1 . 1 1 5 5 SER H H . . 1 . 5 SER HN rr_2mua 1
54 3 . 2 . 1 1 5 5 SER HB3 H . . 1 . 5 SER HB* rr_2mua 1
55 1 . 1 . 1 1 14 14 GLN H H . . 1 . 14 GLN HN rr_2mua 1
55 1 . 2 . 1 1 11 11 LYS HA H . . 1 . 11 LYS HA rr_2mua 1
56 1 . 1 . 1 1 16 16 LEU H H . . 1 . 16 LEU HN rr_2mua 1
56 1 . 2 . 1 1 15 15 THR HB H . . 1 . 15 THR HB rr_2mua 1
57 1 . 1 . 1 1 19 19 GLU H H . . 1 . 19 GLU HN rr_2mua 1
57 1 . 2 . 1 1 15 15 THR HB H . . 1 . 15 THR HB rr_2mua 1
58 1 . 1 . 1 1 15 15 THR H H . . 1 . 15 THR HN rr_2mua 1
58 1 . 2 . 1 1 15 15 THR HB H . . 1 . 15 THR HB rr_2mua 1
59 1 . 1 . 1 1 16 16 LEU H H . . 1 . 16 LEU HN rr_2mua 1
59 1 . 2 . 1 1 12 12 LYS HA H . . 1 . 12 LYS HA rr_2mua 1
60 2 . 1 . 1 1 17 17 TRP H H . . 1 . 17 TRP HN rr_2mua 1
60 2 . 2 . 1 1 17 17 TRP HB2 H . . 1 . 17 TRP HB* rr_2mua 1
60 3 . 1 . 1 1 17 17 TRP H H . . 1 . 17 TRP HN rr_2mua 1
60 3 . 2 . 1 1 17 17 TRP HB3 H . . 1 . 17 TRP HB* rr_2mua 1
61 2 . 1 . 1 1 18 18 ASP H H . . 1 . 18 ASP HN rr_2mua 1
61 2 . 2 . 1 1 17 17 TRP HB2 H . . 1 . 17 TRP HB* rr_2mua 1
61 3 . 1 . 1 1 18 18 ASP H H . . 1 . 18 ASP HN rr_2mua 1
61 3 . 2 . 1 1 17 17 TRP HB3 H . . 1 . 17 TRP HB* rr_2mua 1
62 1 . 1 . 1 1 19 19 GLU H H . . 1 . 19 GLU HN rr_2mua 1
62 1 . 2 . 1 1 18 18 ASP HB2 H . . 1 . 18 ASP HBS rr_2mua 1
63 2 . 1 . 1 1 17 17 TRP HE3 H . . 1 . 17 TRP HE3 rr_2mua 1
63 2 . 2 . 1 1 17 17 TRP HB2 H . . 1 . 17 TRP HB* rr_2mua 1
63 3 . 1 . 1 1 17 17 TRP HE3 H . . 1 . 17 TRP HE3 rr_2mua 1
63 3 . 2 . 1 1 17 17 TRP HB3 H . . 1 . 17 TRP HB* rr_2mua 1
64 2 . 1 . 1 1 17 17 TRP HD1 H . . 1 . 17 TRP HD1 rr_2mua 1
64 2 . 2 . 1 1 17 17 TRP HB2 H . . 1 . 17 TRP HB* rr_2mua 1
64 3 . 1 . 1 1 17 17 TRP HD1 H . . 1 . 17 TRP HD1 rr_2mua 1
64 3 . 2 . 1 1 17 17 TRP HB3 H . . 1 . 17 TRP HB* rr_2mua 1
65 2 . 1 . 1 1 1 1 TYR QD H . . 1 . 1 TYR HD* rr_2mua 1
65 2 . 2 . 1 1 1 1 TYR HB2 H . . 1 . 1 TYR HB* rr_2mua 1
65 3 . 1 . 1 1 1 1 TYR QD H . . 1 . 1 TYR HD* rr_2mua 1
65 3 . 2 . 1 1 1 1 TYR HB3 H . . 1 . 1 TYR HB* rr_2mua 1
66 2 . 1 . 1 1 1 1 TYR QE H . . 1 . 1 TYR HE* rr_2mua 1
66 2 . 2 . 1 1 1 1 TYR HB2 H . . 1 . 1 TYR HB* rr_2mua 1
66 3 . 1 . 1 1 1 1 TYR QE H . . 1 . 1 TYR HE* rr_2mua 1
66 3 . 2 . 1 1 1 1 TYR HB3 H . . 1 . 1 TYR HB* rr_2mua 1
67 2 . 1 . 1 1 2 2 LEU H H . . 1 . 2 LEU HN rr_2mua 1
67 2 . 2 . 1 1 1 1 TYR HB2 H . . 1 . 1 TYR HB* rr_2mua 1
67 3 . 1 . 1 1 2 2 LEU H H . . 1 . 2 LEU HN rr_2mua 1
67 3 . 2 . 1 1 1 1 TYR HB3 H . . 1 . 1 TYR HB* rr_2mua 1
68 1 . 1 . 1 1 13 13 MET H H . . 1 . 13 MET HN rr_2mua 1
68 1 . 2 . 1 1 13 13 MET HG2 H . . 1 . 13 MET HGS rr_2mua 1
69 1 . 1 . 1 1 18 18 ASP H H . . 1 . 18 ASP HN rr_2mua 1
69 1 . 2 . 1 1 18 18 ASP HB2 H . . 1 . 18 ASP HBS rr_2mua 1
70 2 . 1 . 1 1 4 4 ARG QH1 H . . 1 . 4 ARG HH1* rr_2mua 1
70 2 . 2 . 1 1 4 4 ARG HD2 H . . 1 . 4 ARG HD* rr_2mua 1
70 3 . 1 . 1 1 4 4 ARG QH1 H . . 1 . 4 ARG HH1* rr_2mua 1
70 3 . 2 . 1 1 4 4 ARG HD3 H . . 1 . 4 ARG HD* rr_2mua 1
71 1 . 1 . 1 1 18 18 ASP H H . . 1 . 18 ASP HN rr_2mua 1
71 1 . 2 . 1 1 18 18 ASP HB3 H . . 1 . 18 ASP HBR rr_2mua 1
72 1 . 1 . 1 1 19 19 GLU H H . . 1 . 19 GLU HN rr_2mua 1
72 1 . 2 . 1 1 18 18 ASP HB3 H . . 1 . 18 ASP HBR rr_2mua 1
73 1 . 1 . 1 1 19 19 GLU H H . . 1 . 19 GLU HN rr_2mua 1
73 1 . 2 . 1 1 19 19 GLU HG2 H . . 1 . 19 GLU HGS rr_2mua 1
74 1 . 1 . 1 1 19 19 GLU H H . . 1 . 19 GLU HN rr_2mua 1
74 1 . 2 . 1 1 19 19 GLU HG3 H . . 1 . 19 GLU HGR rr_2mua 1
75 1 . 1 . 1 1 19 19 GLU H H . . 1 . 19 GLU HN rr_2mua 1
75 1 . 2 . 1 1 19 19 GLU HB2 H . . 1 . 19 GLU HBR rr_2mua 1
76 1 . 1 . 1 1 13 13 MET H H . . 1 . 13 MET HN rr_2mua 1
76 1 . 2 . 1 1 13 13 MET HG3 H . . 1 . 13 MET HGR rr_2mua 1
77 1 . 1 . 1 1 14 14 GLN H H . . 1 . 14 GLN HN rr_2mua 1
77 1 . 2 . 1 1 14 14 GLN HG2 H . . 1 . 14 GLN HGS rr_2mua 1
78 1 . 1 . 1 1 14 14 GLN H H . . 1 . 14 GLN HN rr_2mua 1
78 1 . 2 . 1 1 14 14 GLN HG3 H . . 1 . 14 GLN HGR rr_2mua 1
79 1 . 1 . 1 1 14 14 GLN H H . . 1 . 14 GLN HN rr_2mua 1
79 1 . 2 . 1 1 14 14 GLN HB3 H . . 1 . 14 GLN HBS rr_2mua 1
80 1 . 1 . 1 1 14 14 GLN H H . . 1 . 14 GLN HN rr_2mua 1
80 1 . 2 . 1 1 14 14 GLN HB2 H . . 1 . 14 GLN HBR rr_2mua 1
81 2 . 1 . 1 1 13 13 MET H H . . 1 . 13 MET HN rr_2mua 1
81 2 . 2 . 1 1 13 13 MET HB2 H . . 1 . 13 MET HB* rr_2mua 1
81 3 . 1 . 1 1 13 13 MET H H . . 1 . 13 MET HN rr_2mua 1
81 3 . 2 . 1 1 13 13 MET HB3 H . . 1 . 13 MET HB* rr_2mua 1
82 1 . 1 . 1 1 20 20 ILE H H . . 1 . 20 ILE HN rr_2mua 1
82 1 . 2 . 1 1 19 19 GLU HB3 H . . 1 . 19 GLU HBS rr_2mua 1
83 1 . 1 . 1 1 19 19 GLU H H . . 1 . 19 GLU HN rr_2mua 1
83 1 . 2 . 1 1 19 19 GLU HB3 H . . 1 . 19 GLU HBS rr_2mua 1
84 1 . 1 . 1 1 15 15 THR H H . . 1 . 15 THR HN rr_2mua 1
84 1 . 2 . 1 1 14 14 GLN HB2 H . . 1 . 14 GLN HBR rr_2mua 1
85 1 . 1 . 1 1 15 15 THR H H . . 1 . 15 THR HN rr_2mua 1
85 1 . 2 . 1 1 14 14 GLN HB3 H . . 1 . 14 GLN HBS rr_2mua 1
86 2 . 1 . 1 1 13 13 MET H H . . 1 . 13 MET HN rr_2mua 1
86 2 . 2 . 1 1 12 12 LYS HB2 H . . 1 . 12 LYS HB* rr_2mua 1
86 3 . 1 . 1 1 13 13 MET H H . . 1 . 13 MET HN rr_2mua 1
86 3 . 2 . 1 1 12 12 LYS HB3 H . . 1 . 12 LYS HB* rr_2mua 1
87 2 . 1 . 1 1 12 12 LYS H H . . 1 . 12 LYS HN rr_2mua 1
87 2 . 2 . 1 1 12 12 LYS HB2 H . . 1 . 12 LYS HB* rr_2mua 1
87 3 . 1 . 1 1 12 12 LYS H H . . 1 . 12 LYS HN rr_2mua 1
87 3 . 2 . 1 1 12 12 LYS HB3 H . . 1 . 12 LYS HB* rr_2mua 1
88 1 . 1 . 1 1 20 20 ILE H H . . 1 . 20 ILE HN rr_2mua 1
88 1 . 2 . 1 1 19 19 GLU HB2 H . . 1 . 19 GLU HBR rr_2mua 1
89 1 . 1 . 1 1 9 9 ILE H H . . 1 . 9 ILE HN rr_2mua 1
89 1 . 2 . 1 1 9 9 ILE HB H . . 1 . 9 ILE HB rr_2mua 1
90 1 . 1 . 1 1 10 10 ILE H H . . 1 . 10 ILE HN rr_2mua 1
90 1 . 2 . 1 1 9 9 ILE HB H . . 1 . 9 ILE HB rr_2mua 1
91 2 . 1 . 1 1 11 11 LYS H H . . 1 . 11 LYS HN rr_2mua 1
91 2 . 2 . 1 1 11 11 LYS HB2 H . . 1 . 11 LYS HB* rr_2mua 1
91 3 . 1 . 1 1 11 11 LYS H H . . 1 . 11 LYS HN rr_2mua 1
91 3 . 2 . 1 1 11 11 LYS HB3 H . . 1 . 11 LYS HB* rr_2mua 1
92 1 . 1 . 1 1 4 4 ARG H H . . 1 . 4 ARG HN rr_2mua 1
92 1 . 2 . 1 1 4 4 ARG HB3 H . . 1 . 4 ARG HB2 rr_2mua 1
93 2 . 1 . 1 1 17 17 TRP H H . . 1 . 17 TRP HN rr_2mua 1
93 2 . 2 . 1 1 16 16 LEU HB2 H . . 1 . 16 LEU HB* rr_2mua 1
93 3 . 1 . 1 1 17 17 TRP H H . . 1 . 17 TRP HN rr_2mua 1
93 3 . 2 . 1 1 16 16 LEU HB3 H . . 1 . 16 LEU HB* rr_2mua 1
94 2 . 1 . 1 1 18 18 ASP H H . . 1 . 18 ASP HN rr_2mua 1
94 2 . 2 . 1 1 16 16 LEU HB2 H . . 1 . 16 LEU HB* rr_2mua 1
94 3 . 1 . 1 1 18 18 ASP H H . . 1 . 18 ASP HN rr_2mua 1
94 3 . 2 . 1 1 16 16 LEU HB3 H . . 1 . 16 LEU HB* rr_2mua 1
95 1 . 1 . 1 1 20 20 ILE H H . . 1 . 20 ILE HN rr_2mua 1
95 1 . 2 . 1 1 20 20 ILE HG12 H . . 1 . 20 ILE HG1R rr_2mua 1
96 1 . 1 . 1 1 21 21 MET H H . . 1 . 21 MET HN rr_2mua 1
96 1 . 2 . 1 1 21 21 MET HB2 H . . 1 . 21 MET HBS rr_2mua 1
97 1 . 1 . 1 1 21 21 MET H H . . 1 . 21 MET HN rr_2mua 1
97 1 . 2 . 1 1 21 21 MET HG3 H . . 1 . 21 MET HGR rr_2mua 1
98 1 . 1 . 1 1 21 21 MET H H . . 1 . 21 MET HN rr_2mua 1
98 1 . 2 . 1 1 21 21 MET HG2 H . . 1 . 21 MET HGS rr_2mua 1
99 2 . 1 . 1 1 4 4 ARG H H . . 1 . 4 ARG HN rr_2mua 1
99 2 . 2 . 1 1 4 4 ARG HG2 H . . 1 . 4 ARG HG* rr_2mua 1
99 3 . 1 . 1 1 4 4 ARG H H . . 1 . 4 ARG HN rr_2mua 1
99 3 . 2 . 1 1 4 4 ARG HG3 H . . 1 . 4 ARG HG* rr_2mua 1
100 1 . 1 . 1 1 9 9 ILE H H . . 1 . 9 ILE HN rr_2mua 1
100 1 . 2 . 1 1 9 9 ILE HG12 H . . 1 . 9 ILE HG1R rr_2mua 1
101 2 . 1 . 1 1 2 2 LEU H H . . 1 . 2 LEU HN rr_2mua 1
101 2 . 2 . 1 1 2 2 LEU HB2 H . . 1 . 2 LEU HB* rr_2mua 1
101 3 . 1 . 1 1 2 2 LEU H H . . 1 . 2 LEU HN rr_2mua 1
101 3 . 2 . 1 1 2 2 LEU HB3 H . . 1 . 2 LEU HB* rr_2mua 1
102 2 . 1 . 1 1 16 16 LEU H H . . 1 . 16 LEU HN rr_2mua 1
102 2 . 2 . 1 1 16 16 LEU HB2 H . . 1 . 16 LEU HB* rr_2mua 1
102 3 . 1 . 1 1 16 16 LEU H H . . 1 . 16 LEU HN rr_2mua 1
102 3 . 2 . 1 1 16 16 LEU HB3 H . . 1 . 16 LEU HB* rr_2mua 1
103 1 . 1 . 1 1 16 16 LEU H H . . 1 . 16 LEU HN rr_2mua 1
103 1 . 2 . 1 1 16 16 LEU HG H . . 1 . 16 LEU HG rr_2mua 1
104 1 . 1 . 1 1 20 20 ILE H H . . 1 . 20 ILE HN rr_2mua 1
104 1 . 2 . 1 1 20 20 ILE HB H . . 1 . 20 ILE HB rr_2mua 1
105 1 . 1 . 1 1 5 5 SER H H . . 1 . 5 SER HN rr_2mua 1
105 1 . 2 . 1 1 4 4 ARG HB3 H . . 1 . 4 ARG HB2 rr_2mua 1
106 1 . 1 . 1 1 21 21 MET H H . . 1 . 21 MET HN rr_2mua 1
106 1 . 2 . 1 1 21 21 MET HB3 H . . 1 . 21 MET HBR rr_2mua 1
107 1 . 1 . 1 1 10 10 ILE H H . . 1 . 10 ILE HN rr_2mua 1
107 1 . 2 . 1 1 10 10 ILE HG12 H . . 1 . 10 ILE HG1R rr_2mua 1
108 2 . 1 . 1 1 17 17 TRP HZ2 H . . 1 . 17 TRP HZ2 rr_2mua 1
108 2 . 2 . 1 1 16 16 LEU HB2 H . . 1 . 16 LEU HB* rr_2mua 1
108 3 . 1 . 1 1 17 17 TRP HZ2 H . . 1 . 17 TRP HZ2 rr_2mua 1
108 3 . 2 . 1 1 16 16 LEU HB3 H . . 1 . 16 LEU HB* rr_2mua 1
109 2 . 1 . 1 1 17 17 TRP HD1 H . . 1 . 17 TRP HD1 rr_2mua 1
109 2 . 2 . 1 1 16 16 LEU HB2 H . . 1 . 16 LEU HB* rr_2mua 1
109 3 . 1 . 1 1 17 17 TRP HD1 H . . 1 . 17 TRP HD1 rr_2mua 1
109 3 . 2 . 1 1 16 16 LEU HB3 H . . 1 . 16 LEU HB* rr_2mua 1
110 1 . 1 . 1 1 10 10 ILE H H . . 1 . 10 ILE HN rr_2mua 1
110 1 . 2 . 1 1 10 10 ILE MD H . . 1 . 10 ILE HD1* rr_2mua 1
111 1 . 1 . 1 1 10 10 ILE H H . . 1 . 10 ILE HN rr_2mua 1
111 1 . 2 . 1 1 10 10 ILE MG H . . 1 . 10 ILE HG2* rr_2mua 1
112 1 . 1 . 1 1 10 10 ILE H H . . 1 . 10 ILE HN rr_2mua 1
112 1 . 2 . 1 1 9 9 ILE MG H . . 1 . 9 ILE HG2* rr_2mua 1
113 1 . 1 . 1 1 9 9 ILE H H . . 1 . 9 ILE HN rr_2mua 1
113 1 . 2 . 1 1 9 9 ILE MD H . . 1 . 9 ILE HD1* rr_2mua 1
114 1 . 1 . 1 1 9 9 ILE H H . . 1 . 9 ILE HN rr_2mua 1
114 1 . 2 . 1 1 9 9 ILE MG H . . 1 . 9 ILE HG2* rr_2mua 1
115 1 . 1 . 1 1 16 16 LEU H H . . 1 . 16 LEU HN rr_2mua 1
115 1 . 2 . 1 1 16 16 LEU MD2 H . . 1 . 16 LEU HDS* rr_2mua 1
116 1 . 1 . 1 1 16 16 LEU H H . . 1 . 16 LEU HN rr_2mua 1
116 1 . 2 . 1 1 16 16 LEU MD1 H . . 1 . 16 LEU HDR* rr_2mua 1
117 1 . 1 . 1 1 20 20 ILE H H . . 1 . 20 ILE HN rr_2mua 1
117 1 . 2 . 1 1 20 20 ILE MD H . . 1 . 20 ILE HD1* rr_2mua 1
118 1 . 1 . 1 1 20 20 ILE H H . . 1 . 20 ILE HN rr_2mua 1
118 1 . 2 . 1 1 20 20 ILE MG H . . 1 . 20 ILE HG2* rr_2mua 1
119 1 . 1 . 1 1 21 21 MET H H . . 1 . 21 MET HN rr_2mua 1
119 1 . 2 . 1 1 20 20 ILE MG H . . 1 . 20 ILE HG2* rr_2mua 1
120 1 . 1 . 1 1 20 20 ILE H H . . 1 . 20 ILE HN rr_2mua 1
120 1 . 2 . 1 1 20 20 ILE HG13 H . . 1 . 20 ILE HG1S rr_2mua 1
121 1 . 1 . 1 1 15 15 THR H H . . 1 . 15 THR HN rr_2mua 1
121 1 . 2 . 1 1 15 15 THR MG H . . 1 . 15 THR HG2* rr_2mua 1
122 1 . 1 . 1 1 16 16 LEU H H . . 1 . 16 LEU HN rr_2mua 1
122 1 . 2 . 1 1 15 15 THR MG H . . 1 . 15 THR HG2* rr_2mua 1
123 1 . 1 . 1 1 9 9 ILE H H . . 1 . 9 ILE HN rr_2mua 1
123 1 . 2 . 1 1 9 9 ILE HG13 H . . 1 . 9 ILE HG1S rr_2mua 1
124 1 . 1 . 1 1 10 10 ILE H H . . 1 . 10 ILE HN rr_2mua 1
124 1 . 2 . 1 1 10 10 ILE HG13 H . . 1 . 10 ILE HG1S rr_2mua 1
125 1 . 1 . 1 1 2 2 LEU H H . . 1 . 2 LEU HN rr_2mua 1
125 1 . 2 . 1 1 2 2 LEU MD2 H . . 1 . 2 LEU HDS* rr_2mua 1
126 1 . 1 . 1 1 2 2 LEU H H . . 1 . 2 LEU HN rr_2mua 1
126 1 . 2 . 1 1 2 2 LEU MD1 H . . 1 . 2 LEU HDR* rr_2mua 1
127 2 . 1 . 1 1 17 17 TRP HE1 H . . 1 . 17 TRP HE1 rr_2mua 1
127 2 . 2 . 1 1 17 17 TRP HB2 H . . 1 . 17 TRP HB* rr_2mua 1
127 3 . 1 . 1 1 17 17 TRP HE1 H . . 1 . 17 TRP HE1 rr_2mua 1
127 3 . 2 . 1 1 17 17 TRP HB3 H . . 1 . 17 TRP HB* rr_2mua 1
128 2 . 1 . 1 1 17 17 TRP HE1 H . . 1 . 17 TRP HE1 rr_2mua 1
128 2 . 2 . 1 1 16 16 LEU HB2 H . . 1 . 16 LEU HB* rr_2mua 1
128 3 . 1 . 1 1 17 17 TRP HE1 H . . 1 . 17 TRP HE1 rr_2mua 1
128 3 . 2 . 1 1 16 16 LEU HB3 H . . 1 . 16 LEU HB* rr_2mua 1
129 1 . 1 . 1 1 17 17 TRP HE1 H . . 1 . 17 TRP HE1 rr_2mua 1
129 1 . 2 . 1 1 17 17 TRP HD1 H . . 1 . 17 TRP HD1 rr_2mua 1
130 1 . 1 . 1 1 17 17 TRP HE1 H . . 1 . 17 TRP HE1 rr_2mua 1
130 1 . 2 . 1 1 17 17 TRP HZ2 H . . 1 . 17 TRP HZ2 rr_2mua 1
131 1 . 1 . 1 1 14 14 GLN HE21 H . . 1 . 14 GLN HE21 rr_2mua 1
131 1 . 2 . 1 1 14 14 GLN HE22 H . . 1 . 14 GLN HE22 rr_2mua 1
132 1 . 1 . 1 1 1 1 TYR QD H . . 1 . 1 TYR HD* rr_2mua 1
132 1 . 2 . 1 1 1 1 TYR QE H . . 1 . 1 TYR HE* rr_2mua 1
133 1 . 1 . 1 1 4 4 ARG QH1 H . . 1 . 4 ARG HH1* rr_2mua 1
133 1 . 2 . 1 1 4 4 ARG QH2 H . . 1 . 4 ARG HH2* rr_2mua 1
134 1 . 1 . 1 1 17 17 TRP HZ2 H . . 1 . 17 TRP HZ2 rr_2mua 1
134 1 . 2 . 1 1 17 17 TRP HZ3 H . . 1 . 17 TRP HZ3 rr_2mua 1
135 1 . 1 . 1 1 17 17 TRP HE3 H . . 1 . 17 TRP HE3 rr_2mua 1
135 1 . 2 . 1 1 17 17 TRP HZ3 H . . 1 . 17 TRP HZ3 rr_2mua 1
136 1 . 1 . 1 1 17 17 TRP HE3 H . . 1 . 17 TRP HE3 rr_2mua 1
136 1 . 2 . 1 1 17 17 TRP HD1 H . . 1 . 17 TRP HD1 rr_2mua 1
137 1 . 1 . 1 1 17 17 TRP H H . . 1 . 17 TRP HN rr_2mua 1
137 1 . 2 . 1 1 17 17 TRP HD1 H . . 1 . 17 TRP HD1 rr_2mua 1
138 1 . 1 . 1 1 18 18 ASP H H . . 1 . 18 ASP HN rr_2mua 1
138 1 . 2 . 1 1 17 17 TRP HD1 H . . 1 . 17 TRP HD1 rr_2mua 1
139 1 . 1 . 1 1 17 17 TRP H H . . 1 . 17 TRP HN rr_2mua 1
139 1 . 2 . 1 1 17 17 TRP HE3 H . . 1 . 17 TRP HE3 rr_2mua 1
140 1 . 1 . 1 1 18 18 ASP H H . . 1 . 18 ASP HN rr_2mua 1
140 1 . 2 . 1 1 17 17 TRP HE3 H . . 1 . 17 TRP HE3 rr_2mua 1
141 1 . 1 . 1 1 4 4 ARG H H . . 1 . 4 ARG HN rr_2mua 1
141 1 . 2 . 1 1 3 3 GLY H H . . 1 . 3 GLY HN rr_2mua 1
142 1 . 1 . 1 1 2 2 LEU H H . . 1 . 2 LEU HN rr_2mua 1
142 1 . 2 . 1 1 3 3 GLY H H . . 1 . 3 GLY HN rr_2mua 1
143 1 . 1 . 1 1 12 12 LYS H H . . 1 . 12 LYS HN rr_2mua 1
143 1 . 2 . 1 1 11 11 LYS H H . . 1 . 11 LYS HN rr_2mua 1
144 1 . 1 . 1 1 9 9 ILE H H . . 1 . 9 ILE HN rr_2mua 1
144 1 . 2 . 1 1 10 10 ILE H H . . 1 . 10 ILE HN rr_2mua 1
145 1 . 1 . 1 1 8 8 ASP H H . . 1 . 8 ASP HN rr_2mua 1
145 1 . 2 . 1 1 10 10 ILE H H . . 1 . 10 ILE HN rr_2mua 1
146 1 . 1 . 1 1 8 8 ASP H H . . 1 . 8 ASP HN rr_2mua 1
146 1 . 2 . 1 1 9 9 ILE H H . . 1 . 9 ILE HN rr_2mua 1
147 1 . 1 . 1 1 7 7 GLY H H . . 1 . 7 GLY HN rr_2mua 1
147 1 . 2 . 1 1 8 8 ASP H H . . 1 . 8 ASP HN rr_2mua 1
148 1 . 1 . 1 1 7 7 GLY H H . . 1 . 7 GLY HN rr_2mua 1
148 1 . 2 . 1 1 9 9 ILE H H . . 1 . 9 ILE HN rr_2mua 1
149 1 . 1 . 1 1 13 13 MET H H . . 1 . 13 MET HN rr_2mua 1
149 1 . 2 . 1 1 12 12 LYS H H . . 1 . 12 LYS HN rr_2mua 1
150 1 . 1 . 1 1 14 14 GLN H H . . 1 . 14 GLN HN rr_2mua 1
150 1 . 2 . 1 1 15 15 THR H H . . 1 . 15 THR HN rr_2mua 1
151 1 . 1 . 1 1 17 17 TRP H H . . 1 . 17 TRP HN rr_2mua 1
151 1 . 2 . 1 1 16 16 LEU H H . . 1 . 16 LEU HN rr_2mua 1
152 1 . 1 . 1 1 18 18 ASP H H . . 1 . 18 ASP HN rr_2mua 1
152 1 . 2 . 1 1 16 16 LEU H H . . 1 . 16 LEU HN rr_2mua 1
153 1 . 1 . 1 1 18 18 ASP H H . . 1 . 18 ASP HN rr_2mua 1
153 1 . 2 . 1 1 19 19 GLU H H . . 1 . 19 GLU HN rr_2mua 1
154 1 . 1 . 1 1 5 5 SER H H . . 1 . 5 SER HN rr_2mua 1
154 1 . 2 . 1 1 4 4 ARG H H . . 1 . 4 ARG HN rr_2mua 1
155 1 . 1 . 1 1 20 20 ILE H H . . 1 . 20 ILE HN rr_2mua 1
155 1 . 2 . 1 1 19 19 GLU H H . . 1 . 19 GLU HN rr_2mua 1
156 1 . 1 . 1 1 6 6 GLY H H . . 1 . 6 GLY HN rr_2mua 1
156 1 . 2 . 1 1 5 5 SER H H . . 1 . 5 SER HN rr_2mua 1
157 1 . 1 . 1 1 14 14 GLN H H . . 1 . 14 GLN HN rr_2mua 1
157 1 . 2 . 1 1 13 13 MET H H . . 1 . 13 MET HN rr_2mua 1
158 1 . 1 . 1 1 17 17 TRP H H . . 1 . 17 TRP HN rr_2mua 1
158 1 . 2 . 1 1 18 18 ASP H H . . 1 . 18 ASP HN rr_2mua 1
159 1 . 1 . 1 1 18 18 ASP H H . . 1 . 18 ASP HN rr_2mua 1
159 1 . 2 . 1 1 20 20 ILE H H . . 1 . 20 ILE HN rr_2mua 1
160 1 . 1 . 1 1 17 17 TRP H H . . 1 . 17 TRP HN rr_2mua 1
160 1 . 2 . 1 1 19 19 GLU H H . . 1 . 19 GLU HN rr_2mua 1
161 1 . 1 . 1 1 13 13 MET H H . . 1 . 13 MET HN rr_2mua 1
161 1 . 2 . 1 1 11 11 LYS H H . . 1 . 11 LYS HN rr_2mua 1
162 1 . 1 . 1 1 15 15 THR HB H . . 1 . 15 THR HB rr_2mua 1
162 1 . 2 . 1 1 15 15 THR HA H . . 1 . 15 THR HA rr_2mua 1
163 1 . 1 . 1 1 18 18 ASP HB2 H . . 1 . 18 ASP HBS rr_2mua 1
163 1 . 2 . 1 1 18 18 ASP HA H . . 1 . 18 ASP HA rr_2mua 1
164 2 . 1 . 1 1 17 17 TRP HB2 H . . 1 . 17 TRP HB* rr_2mua 1
164 2 . 2 . 1 1 17 17 TRP HA H . . 1 . 17 TRP HA rr_2mua 1
164 3 . 1 . 1 1 17 17 TRP HB3 H . . 1 . 17 TRP HB* rr_2mua 1
164 3 . 2 . 1 1 17 17 TRP HA H . . 1 . 17 TRP HA rr_2mua 1
165 2 . 1 . 1 1 17 17 TRP HB2 H . . 1 . 17 TRP HB* rr_2mua 1
165 2 . 2 . 1 1 14 14 GLN HA H . . 1 . 14 GLN HA rr_2mua 1
165 3 . 1 . 1 1 17 17 TRP HB3 H . . 1 . 17 TRP HB* rr_2mua 1
165 3 . 2 . 1 1 14 14 GLN HA H . . 1 . 14 GLN HA rr_2mua 1
166 1 . 1 . 1 1 18 18 ASP HB2 H . . 1 . 18 ASP HBS rr_2mua 1
166 1 . 2 . 1 1 15 15 THR HB H . . 1 . 15 THR HB rr_2mua 1
167 1 . 1 . 1 1 18 18 ASP HB3 H . . 1 . 18 ASP HBR rr_2mua 1
167 1 . 2 . 1 1 15 15 THR HB H . . 1 . 15 THR HB rr_2mua 1
168 1 . 1 . 1 1 18 18 ASP HB3 H . . 1 . 18 ASP HBR rr_2mua 1
168 1 . 2 . 1 1 18 18 ASP HA H . . 1 . 18 ASP HA rr_2mua 1
169 2 . 1 . 1 1 1 1 TYR HB2 H . . 1 . 1 TYR HB* rr_2mua 1
169 2 . 2 . 1 1 1 1 TYR HA H . . 1 . 1 TYR HA rr_2mua 1
169 3 . 1 . 1 1 1 1 TYR HB3 H . . 1 . 1 TYR HB* rr_2mua 1
169 3 . 2 . 1 1 1 1 TYR HA H . . 1 . 1 TYR HA rr_2mua 1
170 2 . 1 . 1 1 11 11 LYS HB2 H . . 1 . 11 LYS HB* rr_2mua 1
170 2 . 2 . 1 1 8 8 ASP HA H . . 1 . 8 ASP HA rr_2mua 1
170 3 . 1 . 1 1 11 11 LYS HB3 H . . 1 . 11 LYS HB* rr_2mua 1
170 3 . 2 . 1 1 8 8 ASP HA H . . 1 . 8 ASP HA rr_2mua 1
171 1 . 1 . 1 1 14 14 GLN HB2 H . . 1 . 14 GLN HBR rr_2mua 1
171 1 . 2 . 1 1 11 11 LYS HA H . . 1 . 11 LYS HA rr_2mua 1
172 1 . 1 . 1 1 14 14 GLN HB3 H . . 1 . 14 GLN HBS rr_2mua 1
172 1 . 2 . 1 1 11 11 LYS HA H . . 1 . 11 LYS HA rr_2mua 1
173 2 . 1 . 1 1 13 13 MET HB2 H . . 1 . 13 MET HB* rr_2mua 1
173 2 . 2 . 1 1 10 10 ILE HA H . . 1 . 10 ILE HA rr_2mua 1
173 3 . 1 . 1 1 13 13 MET HB3 H . . 1 . 13 MET HB* rr_2mua 1
173 3 . 2 . 1 1 10 10 ILE HA H . . 1 . 10 ILE HA rr_2mua 1
174 2 . 1 . 1 1 9 9 ILE HB H . . 1 . 9 ILE HB rr_2mua 1
174 2 . 2 . 1 1 6 6 GLY HA2 H . . 1 . 6 GLY HA* rr_2mua 1
174 3 . 1 . 1 1 9 9 ILE HB H . . 1 . 9 ILE HB rr_2mua 1
174 3 . 2 . 1 1 6 6 GLY HA3 H . . 1 . 6 GLY HA* rr_2mua 1
175 2 . 1 . 1 1 10 10 ILE HB H . . 1 . 10 ILE HB rr_2mua 1
175 2 . 2 . 1 1 7 7 GLY HA2 H . . 1 . 7 GLY HA* rr_2mua 1
175 3 . 1 . 1 1 10 10 ILE HB H . . 1 . 10 ILE HB rr_2mua 1
175 3 . 2 . 1 1 7 7 GLY HA3 H . . 1 . 7 GLY HA* rr_2mua 1
176 1 . 1 . 1 1 15 15 THR MG H . . 1 . 15 THR HG2* rr_2mua 1
176 1 . 2 . 1 1 15 15 THR HB H . . 1 . 15 THR HB rr_2mua 1
177 1 . 1 . 1 1 15 15 THR MG H . . 1 . 15 THR HG2* rr_2mua 1
177 1 . 2 . 1 1 15 15 THR HA H . . 1 . 15 THR HA rr_2mua 1
178 1 . 1 . 1 1 18 18 ASP HB3 H . . 1 . 18 ASP HBR rr_2mua 1
178 1 . 2 . 1 1 18 18 ASP HB2 H . . 1 . 18 ASP HBS rr_2mua 1
179 1 . 1 . 1 1 15 15 THR H H . . 1 . 15 THR HN rr_2mua 1
179 1 . 2 . 1 1 12 12 LYS HA H . . 1 . 12 LYS HA rr_2mua 1
180 1 . 1 . 1 1 17 17 TRP H H . . 1 . 17 TRP HN rr_2mua 1
180 1 . 2 . 1 1 14 14 GLN HA H . . 1 . 14 GLN HA rr_2mua 1
181 2 . 1 . 1 1 11 11 LYS H H . . 1 . 11 LYS HN rr_2mua 1
181 2 . 2 . 1 1 7 7 GLY HA2 H . . 1 . 7 GLY HA* rr_2mua 1
181 3 . 1 . 1 1 11 11 LYS H H . . 1 . 11 LYS HN rr_2mua 1
181 3 . 2 . 1 1 7 7 GLY HA3 H . . 1 . 7 GLY HA* rr_2mua 1
182 1 . 1 . 1 1 15 15 THR H H . . 1 . 15 THR HN rr_2mua 1
182 1 . 2 . 1 1 11 11 LYS HA H . . 1 . 11 LYS HA rr_2mua 1
183 1 . 1 . 1 1 17 17 TRP H H . . 1 . 17 TRP HN rr_2mua 1
183 1 . 2 . 1 1 13 13 MET HA H . . 1 . 13 MET HA rr_2mua 1
184 1 . 1 . 1 1 19 19 GLU H H . . 1 . 19 GLU HN rr_2mua 1
184 1 . 2 . 1 1 15 15 THR HA H . . 1 . 15 THR HA rr_2mua 1
185 1 . 1 . 1 1 20 20 ILE H H . . 1 . 20 ILE HN rr_2mua 1
185 1 . 2 . 1 1 16 16 LEU HA H . . 1 . 16 LEU HA rr_2mua 1
186 1 . 1 . 1 1 16 16 LEU H H . . 1 . 16 LEU HN rr_2mua 1
186 1 . 2 . 1 1 14 14 GLN HA H . . 1 . 14 GLN HA rr_2mua 1
187 1 . 1 . 1 1 11 11 LYS H H . . 1 . 11 LYS HN rr_2mua 1
187 1 . 2 . 1 1 10 10 ILE HA H . . 1 . 10 ILE HA rr_2mua 1
188 1 . 1 . 1 1 15 15 THR H H . . 1 . 15 THR HN rr_2mua 1
188 1 . 2 . 1 1 14 14 GLN HA H . . 1 . 14 GLN HA rr_2mua 1
189 1 . 1 . 1 1 17 17 TRP H H . . 1 . 17 TRP HN rr_2mua 1
189 1 . 2 . 1 1 16 16 LEU HA H . . 1 . 16 LEU HA rr_2mua 1
190 1 . 1 . 1 1 19 19 GLU H H . . 1 . 19 GLU HN rr_2mua 1
190 1 . 2 . 1 1 18 18 ASP HA H . . 1 . 18 ASP HA rr_2mua 1
191 2 . 1 . 1 1 6 6 GLY H H . . 1 . 6 GLY HN rr_2mua 1
191 2 . 2 . 1 1 5 5 SER HB2 H . . 1 . 5 SER HB* rr_2mua 1
191 3 . 1 . 1 1 6 6 GLY H H . . 1 . 6 GLY HN rr_2mua 1
191 3 . 2 . 1 1 5 5 SER HB3 H . . 1 . 5 SER HB* rr_2mua 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Spectral_peak_list_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . 2.8 1.8 2.8 rr_2mua 1
2 1 . . . . . . 2.8 1.8 2.8 rr_2mua 1
3 1 . . . . . . 3.5 2.8 3.5 rr_2mua 1
4 1 . . . . . . 5.0 3.5 5.0 rr_2mua 1
5 1 . . . . . . 3.5 2.8 3.5 rr_2mua 1
6 1 . . . . . . 3.5 2.8 3.5 rr_2mua 1
7 1 . . . . . . 5.0 3.5 5.0 rr_2mua 1
8 1 . . . . . . 3.5 2.8 5.5 rr_2mua 1
9 1 . . . . . . 3.5 2.8 3.5 rr_2mua 1
10 1 . . . . . . 5.0 3.5 5.0 rr_2mua 1
11 1 . . . . . . 5.0 3.5 5.0 rr_2mua 1
12 1 . . . . . . 2.8 1.8 2.8 rr_2mua 1
13 1 . . . . . . 3.5 2.8 3.5 rr_2mua 1
14 1 . . . . . . 3.5 2.8 3.5 rr_2mua 1
15 1 . . . . . . 2.8 1.8 2.8 rr_2mua 1
16 1 . . . . . . 2.8 1.8 2.8 rr_2mua 1
17 1 . . . . . . 5.0 3.5 5.0 rr_2mua 1
18 2 . . . . . . 5.0 3.5 6.0 rr_2mua 1
18 3 . . . . . . 5.0 3.5 6.0 rr_2mua 1
19 1 . . . . . . 3.5 2.8 3.5 rr_2mua 1
20 2 . . . . . . 5.0 3.5 6.0 rr_2mua 1
20 3 . . . . . . 5.0 3.5 6.0 rr_2mua 1
21 1 . . . . . . 3.5 2.8 3.5 rr_2mua 1
22 1 . . . . . . 3.5 2.8 3.5 rr_2mua 1
23 1 . . . . . . 2.8 1.8 2.8 rr_2mua 1
24 1 . . . . . . 2.8 1.8 2.8 rr_2mua 1
25 1 . . . . . . 3.5 2.8 3.5 rr_2mua 1
26 1 . . . . . . 5.0 3.5 5.0 rr_2mua 1
27 1 . . . . . . 5.0 3.5 5.0 rr_2mua 1
28 1 . . . . . . 5.0 3.5 5.0 rr_2mua 1
29 1 . . . . . . 3.5 2.8 3.5 rr_2mua 1
30 1 . . . . . . 2.8 1.8 2.8 rr_2mua 1
31 1 . . . . . . 3.5 2.8 3.5 rr_2mua 1
32 1 . . . . . . 2.8 1.8 2.8 rr_2mua 1
33 1 . . . . . . 2.8 1.8 2.8 rr_2mua 1
34 1 . . . . . . 3.5 2.8 3.5 rr_2mua 1
35 1 . . . . . . 3.5 2.8 3.5 rr_2mua 1
36 1 . . . . . . 3.5 2.8 3.5 rr_2mua 1
37 1 . . . . . . 5.0 3.5 5.0 rr_2mua 1
38 1 . . . . . . 3.5 2.8 3.5 rr_2mua 1
39 1 . . . . . . 5.0 3.5 5.0 rr_2mua 1
40 2 . . . . . . 2.8 1.8 3.8 rr_2mua 1
40 3 . . . . . . 2.8 1.8 3.8 rr_2mua 1
41 2 . . . . . . 2.8 1.8 3.8 rr_2mua 1
41 3 . . . . . . 2.8 1.8 3.8 rr_2mua 1
42 2 . . . . . . 2.8 1.8 3.8 rr_2mua 1
42 3 . . . . . . 2.8 1.8 3.8 rr_2mua 1
43 1 . . . . . . 2.8 1.8 2.8 rr_2mua 1
44 1 . . . . . . 2.8 1.8 2.8 rr_2mua 1
45 1 . . . . . . 2.8 1.8 2.8 rr_2mua 1
46 1 . . . . . . 3.5 2.8 3.5 rr_2mua 1
47 1 . . . . . . 3.5 2.8 3.5 rr_2mua 1
48 1 . . . . . . 3.5 2.8 3.5 rr_2mua 1
49 2 . . . . . . 2.8 1.8 3.8 rr_2mua 1
49 3 . . . . . . 2.8 1.8 3.8 rr_2mua 1
50 1 . . . . . . 3.5 2.8 3.5 rr_2mua 1
51 2 . . . . . . 5.0 3.5 6.0 rr_2mua 1
51 3 . . . . . . 5.0 3.5 6.0 rr_2mua 1
52 1 . . . . . . 5.0 3.5 5.0 rr_2mua 1
53 1 . . . . . . 5.0 3.5 5.0 rr_2mua 1
54 2 . . . . . . 3.5 2.8 4.5 rr_2mua 1
54 3 . . . . . . 3.5 2.8 4.5 rr_2mua 1
55 1 . . . . . . 5.0 3.5 5.0 rr_2mua 1
56 1 . . . . . . 5.0 3.5 5.0 rr_2mua 1
57 1 . . . . . . 5.0 3.5 5.0 rr_2mua 1
58 1 . . . . . . 2.8 1.8 2.8 rr_2mua 1
59 1 . . . . . . 5.0 3.5 5.0 rr_2mua 1
60 2 . . . . . . 2.8 1.8 3.8 rr_2mua 1
60 3 . . . . . . 2.8 1.8 3.8 rr_2mua 1
61 2 . . . . . . 5.0 3.5 6.0 rr_2mua 1
61 3 . . . . . . 5.0 3.5 6.0 rr_2mua 1
62 1 . . . . . . 5.0 3.5 5.0 rr_2mua 1
63 2 . . . . . . 2.8 1.8 3.8 rr_2mua 1
63 3 . . . . . . 2.8 1.8 3.8 rr_2mua 1
64 2 . . . . . . 2.8 1.8 3.8 rr_2mua 1
64 3 . . . . . . 2.8 1.8 3.8 rr_2mua 1
65 2 . . . . . . 2.8 1.8 5.8 rr_2mua 1
65 3 . . . . . . 2.8 1.8 5.8 rr_2mua 1
66 2 . . . . . . 5.0 3.5 8.0 rr_2mua 1
66 3 . . . . . . 5.0 3.5 8.0 rr_2mua 1
67 2 . . . . . . 3.5 2.8 4.5 rr_2mua 1
67 3 . . . . . . 3.5 2.8 4.5 rr_2mua 1
68 1 . . . . . . 3.5 2.8 3.5 rr_2mua 1
69 1 . . . . . . 2.8 1.8 2.8 rr_2mua 1
70 2 . . . . . . 3.5 2.8 5.5 rr_2mua 1
70 3 . . . . . . 3.5 2.8 5.5 rr_2mua 1
71 1 . . . . . . 3.5 2.8 3.5 rr_2mua 1
72 1 . . . . . . 2.8 1.8 2.8 rr_2mua 1
73 1 . . . . . . 3.5 2.8 3.5 rr_2mua 1
74 1 . . . . . . 3.5 2.8 3.5 rr_2mua 1
75 1 . . . . . . 2.8 1.8 2.8 rr_2mua 1
76 1 . . . . . . 3.5 2.8 3.5 rr_2mua 1
77 1 . . . . . . 3.5 2.8 3.5 rr_2mua 1
78 1 . . . . . . 5.0 3.5 5.0 rr_2mua 1
79 1 . . . . . . 5.0 3.5 5.0 rr_2mua 1
80 1 . . . . . . 2.8 1.8 2.8 rr_2mua 1
81 2 . . . . . . 3.5 2.8 4.5 rr_2mua 1
81 3 . . . . . . 3.5 2.8 4.5 rr_2mua 1
82 1 . . . . . . 5.0 3.5 5.0 rr_2mua 1
83 1 . . . . . . 5.0 3.5 5.0 rr_2mua 1
84 1 . . . . . . 2.8 1.8 2.8 rr_2mua 1
85 1 . . . . . . 2.8 1.8 2.8 rr_2mua 1
86 2 . . . . . . 2.8 1.8 3.8 rr_2mua 1
86 3 . . . . . . 2.8 1.8 3.8 rr_2mua 1
87 2 . . . . . . 2.8 1.8 3.8 rr_2mua 1
87 3 . . . . . . 2.8 1.8 3.8 rr_2mua 1
88 1 . . . . . . 3.5 2.8 3.5 rr_2mua 1
89 1 . . . . . . 2.8 1.8 2.8 rr_2mua 1
90 1 . . . . . . 2.8 1.8 2.8 rr_2mua 1
91 2 . . . . . . 2.8 1.8 3.8 rr_2mua 1
91 3 . . . . . . 2.8 1.8 3.8 rr_2mua 1
92 1 . . . . . . 3.5 2.8 3.5 rr_2mua 1
93 2 . . . . . . 2.8 1.8 3.8 rr_2mua 1
93 3 . . . . . . 2.8 1.8 3.8 rr_2mua 1
94 2 . . . . . . 5.0 3.5 6.0 rr_2mua 1
94 3 . . . . . . 5.0 3.5 6.0 rr_2mua 1
95 1 . . . . . . 5.0 3.5 5.0 rr_2mua 1
96 1 . . . . . . 2.8 1.8 2.8 rr_2mua 1
97 1 . . . . . . 3.5 2.8 3.5 rr_2mua 1
98 1 . . . . . . 5.0 3.5 5.0 rr_2mua 1
99 2 . . . . . . 5.0 3.5 6.0 rr_2mua 1
99 3 . . . . . . 5.0 3.5 6.0 rr_2mua 1
100 1 . . . . . . 2.8 1.8 2.8 rr_2mua 1
101 2 . . . . . . 2.8 1.8 3.8 rr_2mua 1
101 3 . . . . . . 2.8 1.8 3.8 rr_2mua 1
102 2 . . . . . . 2.8 1.8 3.8 rr_2mua 1
102 3 . . . . . . 2.8 1.8 3.8 rr_2mua 1
103 1 . . . . . . 3.5 2.8 3.5 rr_2mua 1
104 1 . . . . . . 2.8 1.8 2.8 rr_2mua 1
105 1 . . . . . . 5.0 3.5 5.0 rr_2mua 1
106 1 . . . . . . 5.0 3.5 5.0 rr_2mua 1
107 1 . . . . . . 5.0 3.5 5.0 rr_2mua 1
108 2 . . . . . . 5.0 3.5 6.0 rr_2mua 1
108 3 . . . . . . 5.0 3.5 6.0 rr_2mua 1
109 2 . . . . . . 2.8 1.8 3.8 rr_2mua 1
109 3 . . . . . . 2.8 1.8 3.8 rr_2mua 1
110 1 . . . . . . 3.5 2.8 4.5 rr_2mua 1
111 1 . . . . . . 3.5 2.8 4.5 rr_2mua 1
112 1 . . . . . . 3.5 2.8 4.5 rr_2mua 1
113 1 . . . . . . 5.0 3.5 6.0 rr_2mua 1
114 1 . . . . . . 5.0 3.5 6.0 rr_2mua 1
115 1 . . . . . . 5.0 3.5 6.0 rr_2mua 1
116 1 . . . . . . 5.0 3.5 6.0 rr_2mua 1
117 1 . . . . . . 3.5 2.8 4.5 rr_2mua 1
118 1 . . . . . . 3.5 2.8 4.5 rr_2mua 1
119 1 . . . . . . 3.5 2.8 4.5 rr_2mua 1
120 1 . . . . . . 2.8 1.8 2.8 rr_2mua 1
121 1 . . . . . . 3.5 2.8 4.5 rr_2mua 1
122 1 . . . . . . 5.0 3.5 6.0 rr_2mua 1
123 1 . . . . . . 5.0 3.5 5.0 rr_2mua 1
124 1 . . . . . . 3.5 2.8 3.5 rr_2mua 1
125 1 . . . . . . 5.0 3.5 6.0 rr_2mua 1
126 1 . . . . . . 5.0 3.5 6.0 rr_2mua 1
127 2 . . . . . . 5.0 3.5 6.0 rr_2mua 1
127 3 . . . . . . 5.0 3.5 6.0 rr_2mua 1
128 2 . . . . . . 5.0 3.5 6.0 rr_2mua 1
128 3 . . . . . . 5.0 3.5 6.0 rr_2mua 1
129 1 . . . . . . 2.8 1.8 2.8 rr_2mua 1
130 1 . . . . . . 2.8 1.8 2.8 rr_2mua 1
131 1 . . . . . . 2.8 1.8 2.8 rr_2mua 1
132 1 . . . . . . 2.8 1.8 6.8 rr_2mua 1
133 1 . . . . . . 3.5 2.8 5.5 rr_2mua 1
134 1 . . . . . . 5.0 3.5 5.0 rr_2mua 1
135 1 . . . . . . 2.8 1.8 2.8 rr_2mua 1
136 1 . . . . . . 5.0 3.5 5.0 rr_2mua 1
137 1 . . . . . . 2.8 1.8 2.8 rr_2mua 1
138 1 . . . . . . 5.0 3.5 5.0 rr_2mua 1
139 1 . . . . . . 5.0 3.5 5.0 rr_2mua 1
140 1 . . . . . . 3.5 2.8 3.5 rr_2mua 1
141 1 . . . . . . 3.5 2.8 3.5 rr_2mua 1
142 1 . . . . . . 3.5 2.8 3.5 rr_2mua 1
143 1 . . . . . . 2.8 1.8 2.8 rr_2mua 1
144 1 . . . . . . 2.8 1.8 2.8 rr_2mua 1
145 1 . . . . . . 5.0 3.5 5.0 rr_2mua 1
146 1 . . . . . . 2.8 1.8 2.8 rr_2mua 1
147 1 . . . . . . 2.8 1.8 2.8 rr_2mua 1
148 1 . . . . . . 5.0 3.5 5.0 rr_2mua 1
149 1 . . . . . . 2.8 1.8 2.8 rr_2mua 1
150 1 . . . . . . 3.5 2.8 3.5 rr_2mua 1
151 1 . . . . . . 3.5 2.8 3.5 rr_2mua 1
152 1 . . . . . . 5.0 3.5 5.0 rr_2mua 1
153 1 . . . . . . 3.5 2.8 3.5 rr_2mua 1
154 1 . . . . . . 3.5 2.8 3.5 rr_2mua 1
155 1 . . . . . . 3.5 2.8 3.5 rr_2mua 1
156 1 . . . . . . 3.5 2.8 3.5 rr_2mua 1
157 1 . . . . . . 3.5 2.8 3.5 rr_2mua 1
158 1 . . . . . . 2.8 1.8 2.8 rr_2mua 1
159 1 . . . . . . 5.0 3.5 5.0 rr_2mua 1
160 1 . . . . . . 5.0 3.5 5.0 rr_2mua 1
161 1 . . . . . . 5.0 3.5 5.0 rr_2mua 1
162 1 . . . . . . 2.8 1.8 2.8 rr_2mua 1
163 1 . . . . . . 2.8 1.8 2.8 rr_2mua 1
164 2 . . . . . . 2.8 1.8 3.8 rr_2mua 1
164 3 . . . . . . 2.8 1.8 3.8 rr_2mua 1
165 2 . . . . . . 5.0 3.5 6.0 rr_2mua 1
165 3 . . . . . . 5.0 3.5 6.0 rr_2mua 1
166 1 . . . . . . 5.0 3.5 5.0 rr_2mua 1
167 1 . . . . . . 5.0 3.5 5.0 rr_2mua 1
168 1 . . . . . . 3.5 2.8 3.5 rr_2mua 1
169 2 . . . . . . 2.8 1.8 3.8 rr_2mua 1
169 3 . . . . . . 2.8 1.8 3.8 rr_2mua 1
170 2 . . . . . . 2.8 1.8 3.8 rr_2mua 1
170 3 . . . . . . 2.8 1.8 3.8 rr_2mua 1
171 1 . . . . . . 2.8 1.8 2.8 rr_2mua 1
172 1 . . . . . . 5.0 3.5 5.0 rr_2mua 1
173 2 . . . . . . 3.5 2.8 4.5 rr_2mua 1
173 3 . . . . . . 3.5 2.8 4.5 rr_2mua 1
174 2 . . . . . . 5.0 3.5 6.0 rr_2mua 1
174 3 . . . . . . 5.0 3.5 6.0 rr_2mua 1
175 2 . . . . . . 5.0 3.5 6.0 rr_2mua 1
175 3 . . . . . . 5.0 3.5 6.0 rr_2mua 1
176 1 . . . . . . 2.8 1.8 3.8 rr_2mua 1
177 1 . . . . . . 2.8 1.8 3.8 rr_2mua 1
178 1 . . . . . . 2.8 1.8 2.8 rr_2mua 1
179 1 . . . . . . 5.0 3.5 5.0 rr_2mua 1
180 1 . . . . . . 5.0 3.5 5.0 rr_2mua 1
181 2 . . . . . . 5.0 3.5 6.0 rr_2mua 1
181 3 . . . . . . 5.0 3.5 6.0 rr_2mua 1
182 1 . . . . . . 5.0 3.5 5.0 rr_2mua 1
183 1 . . . . . . 5.0 3.5 5.0 rr_2mua 1
184 1 . . . . . . 3.5 2.8 3.5 rr_2mua 1
185 1 . . . . . . 5.0 3.5 5.0 rr_2mua 1
186 1 . . . . . . 5.0 3.5 5.0 rr_2mua 1
187 1 . . . . . . 3.5 2.8 3.5 rr_2mua 1
188 1 . . . . . . 3.5 2.8 3.5 rr_2mua 1
189 1 . . . . . . 3.5 2.8 3.5 rr_2mua 1
190 1 . . . . . . 3.5 2.8 3.5 rr_2mua 1
191 2 . . . . . . 3.5 2.8 4.5 rr_2mua 1
191 3 . . . . . . 3.5 2.8 4.5 rr_2mua 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 NOE_distance 1 1 1 13 rr_2mua 1
2 strong: 2 87 2 94 rr_2mua 1
3 strong: 3 87 3 94 rr_2mua 1
4 medium: 4 87 4 94 rr_2mua 1
5 weak: 5 87 5 92 rr_2mua 1
6 medium: 6 87 6 100 rr_2mua 1
7 medium: 7 87 7 102 rr_2mua 1
8 medium: 8 87 8 100 rr_2mua 1
9 weak: 9 87 9 101 rr_2mua 1
10 medium: 10 87 10 109 rr_2mua 1
11 weak: 11 87 11 100 rr_2mua 1
12 weak: 12 87 12 100 rr_2mua 1
13 weak: 13 87 13 100 rr_2mua 1
14 weak: 14 87 14 100 rr_2mua 1
15 medium: 15 87 15 109 rr_2mua 1
16 weak: 16 87 16 100 rr_2mua 1
17 weak: 17 87 17 101 rr_2mua 1
18 strong: 18 87 18 102 rr_2mua 1
19 medium: 19 87 19 101 rr_2mua 1
20 medium: 20 87 20 102 rr_2mua 1
21 strong: 21 87 21 102 rr_2mua 1
22 strong: 22 87 22 102 rr_2mua 1
23 weak: 23 87 23 101 rr_2mua 1
24 weak: 24 87 24 99 rr_2mua 1
25 medium: 25 87 25 102 rr_2mua 1
26 weak: 26 87 26 101 rr_2mua 1
27 medium: 27 87 27 103 rr_2mua 1
28 medium: 28 87 28 102 rr_2mua 1
29 strong: 29 87 29 102 rr_2mua 1
30 strong: 30 87 30 107 rr_2mua 1
31 medium: 31 87 31 102 rr_2mua 1
32 weak: 32 87 32 100 rr_2mua 1
33 weak: 33 87 33 100 rr_2mua 1
34 weak: 34 87 34 99 rr_2mua 1
35 medium: 35 87 35 102 rr_2mua 1
36 strong: 36 87 36 102 rr_2mua 1
37 medium: 37 87 37 103 rr_2mua 1
38 strong: 38 87 38 102 rr_2mua 1
39 strong: 39 87 39 102 rr_2mua 1
40 medium: 40 87 40 102 rr_2mua 1
41 medium: 41 87 41 102 rr_2mua 1
42 medium: 42 87 42 102 rr_2mua 1
43 weak: 43 87 43 100 rr_2mua 1
44 medium: 44 87 44 103 rr_2mua 1
45 weak: 45 87 45 101 rr_2mua 1
46 strong: 46 87 46 102 rr_2mua 1
47 strong: 47 87 47 102 rr_2mua 1
48 strong: 48 87 48 102 rr_2mua 1
49 strong: 49 87 49 102 rr_2mua 1
50 strong: 50 87 50 102 rr_2mua 1
51 strong: 51 87 51 102 rr_2mua 1
52 medium: 52 87 52 166 rr_2mua 1
53 medium: 53 87 53 116 rr_2mua 1
54 medium: 54 87 54 102 rr_2mua 1
55 strong: 55 87 55 102 rr_2mua 1
56 medium: 56 87 56 102 rr_2mua 1
57 weak: 57 87 57 101 rr_2mua 1
58 weak: 58 87 58 100 rr_2mua 1
59 weak: 59 87 59 99 rr_2mua 1
60 medium: 60 87 60 102 rr_2mua 1
61 weak: 61 87 61 100 rr_2mua 1
62 weak: 62 87 62 100 rr_2mua 1
63 weak: 63 87 63 102 rr_2mua 1
64 strong: 64 87 64 102 rr_2mua 1
65 weak: 65 87 65 101 rr_2mua 1
66 strong: 66 87 66 102 rr_2mua 1
67 weak: 67 87 67 99 rr_2mua 1
68 weak: 68 87 68 100 rr_2mua 1
69 strong: 69 87 69 102 rr_2mua 1
70 strong: 70 87 70 102 rr_2mua 1
71 strong: 71 87 71 102 rr_2mua 1
72 weak: 72 87 72 100 rr_2mua 1
73 strong: 73 87 73 102 rr_2mua 1
74 medium: 74 87 74 129 rr_2mua 1
75 medium: 75 87 75 102 rr_2mua 1
76 strong: 76 87 76 102 rr_2mua 1
77 medium: 77 87 77 102 rr_2mua 1
78 medium: 78 87 78 102 rr_2mua 1
79 strong: 79 87 79 101 rr_2mua 1
80 medium: 80 87 80 101 rr_2mua 1
81 medium: 81 87 81 102 rr_2mua 1
82 strong: 82 87 82 102 rr_2mua 1
83 medium: 83 87 83 102 rr_2mua 1
84 medium: 84 87 84 102 rr_2mua 1
85 weak: 85 87 85 100 rr_2mua 1
86 weak: 86 87 86 98 rr_2mua 1
87 strong: 87 87 87 102 rr_2mua 1
88 medium: 88 87 88 102 rr_2mua 1
89 weak: 89 87 89 98 rr_2mua 1
90 weak: 90 87 90 93 rr_2mua 1
91 strong: 91 87 91 102 rr_2mua 1
92 strong: 92 87 92 102 rr_2mua 1
93 strong: 93 87 93 102 rr_2mua 1
94 strong: 94 87 94 102 rr_2mua 1
95 medium: 95 87 95 102 rr_2mua 1
96 strong: 96 87 96 102 rr_2mua 1
97 strong: 97 87 97 102 rr_2mua 1
98 strong: 98 87 98 103 rr_2mua 1
99 strong: 99 87 99 102 rr_2mua 1
100 medium: 100 87 100 102 rr_2mua 1
101 strong: 101 87 101 102 rr_2mua 1
102 weak: 102 87 102 100 rr_2mua 1
103 weak: 103 87 103 100 rr_2mua 1
104 strong: 104 87 104 102 rr_2mua 1
105 medium: 105 87 105 101 rr_2mua 1
106 weak: 106 87 106 100 rr_2mua 1
107 weak: 107 87 107 101 rr_2mua 1
108 strong: 108 87 108 101 rr_2mua 1
109 strong: 109 87 109 102 rr_2mua 1
110 strong: 110 87 110 102 rr_2mua 1
111 medium: 111 87 111 102 rr_2mua 1
112 strong: 112 87 112 102 rr_2mua 1
113 weak: 113 87 113 101 rr_2mua 1
114 weak: 114 87 114 101 rr_2mua 1
115 weak: 115 87 115 111 rr_2mua 1
116 weak: 116 87 116 101 rr_2mua 1
117 strong: 117 87 117 109 rr_2mua 1
118 medium: 118 87 118 102 rr_2mua 1
119 medium: 119 87 119 102 rr_2mua 1
120 medium: 120 87 120 102 rr_2mua 1
121 weak: 121 87 121 102 rr_2mua 1
122 weak: 122 87 122 101 rr_2mua 1
123 weak: 123 87 123 100 rr_2mua 1
124 weak: 124 87 124 99 rr_2mua 1
125 medium: 125 87 125 101 rr_2mua 1
126 medium: 126 87 126 102 rr_2mua 1
127 medium: 127 87 127 102 rr_2mua 1
128 strong: 128 87 128 102 rr_2mua 1
129 medium: 129 87 129 103 rr_2mua 1
130 weak: 130 87 130 100 rr_2mua 1
131 weak: 131 87 131 97 rr_2mua 1
132 medium: 132 87 132 108 rr_2mua 1
133 weak: 133 87 133 98 rr_2mua 1
134 weak: 134 87 134 100 rr_2mua 1
135 weak: 135 87 135 100 rr_2mua 1
136 weak: 136 87 136 99 rr_2mua 1
137 strong: 137 87 137 102 rr_2mua 1
138 strong: 138 87 138 102 rr_2mua 1
139 medium: 139 87 139 102 rr_2mua 1
140 strong: 140 87 140 102 rr_2mua 1
141 weak: 141 87 141 102 rr_2mua 1
142 weak: 142 87 142 100 rr_2mua 1
143 strong: 143 87 143 102 rr_2mua 1
144 strong: 144 87 144 102 rr_2mua 1
145 strong: 145 87 145 102 rr_2mua 1
146 medium: 146 87 146 108 rr_2mua 1
147 weak: 147 87 147 103 rr_2mua 1
148 strong: 148 87 148 102 rr_2mua 1
149 weak: 149 87 149 105 rr_2mua 1
150 strong: 150 87 150 100 rr_2mua 1
151 weak: 151 87 151 100 rr_2mua 1
152 weak: 152 87 152 102 rr_2mua 1
153 medium: 153 87 153 100 rr_2mua 1
154 medium: 154 87 154 103 rr_2mua 1
155 medium: 155 87 155 103 rr_2mua 1
156 strong: 156 87 156 102 rr_2mua 1
157 strong: 157 87 157 95 rr_2mua 1
158 weak: 158 87 158 93 rr_2mua 1
159 strong: 159 87 159 95 rr_2mua 1
160 strong: 160 87 160 118 rr_2mua 1
161 weak: 161 87 161 99 rr_2mua 1
162 strong: 162 87 162 102 rr_2mua 1
163 medium: 163 87 163 102 rr_2mua 1
164 medium: 164 87 164 103 rr_2mua 1
165 weak: 165 87 165 100 rr_2mua 1
166 medium: 166 87 166 103 rr_2mua 1
167 medium: 167 87 167 101 rr_2mua 1
168 medium: 168 87 168 109 rr_2mua 1
169 medium: 169 87 169 101 rr_2mua 1
170 medium: 170 87 170 102 rr_2mua 1
171 strong: 171 87 171 101 rr_2mua 1
172 weak: 172 87 172 99 rr_2mua 1
173 weak: 173 87 173 102 rr_2mua 1
174 weak: 174 87 174 100 rr_2mua 1
175 strong: 175 87 175 100 rr_2mua 1
176 strong: 176 87 176 101 rr_2mua 1
177 strong: 177 87 177 101 rr_2mua 1
178 weak: 178 87 178 102 rr_2mua 1
179 weak: 179 87 179 100 rr_2mua 1
180 weak: 180 87 180 100 rr_2mua 1
181 medium: 181 87 181 102 rr_2mua 1
182 strong: 182 87 182 95 rr_2mua 1
183 strong: 183 87 183 109 rr_2mua 1
184 strong: 184 87 184 103 rr_2mua 1
185 weak: 185 87 185 99 rr_2mua 1
186 medium: 186 87 186 101 rr_2mua 1
187 weak: 187 87 187 93 rr_2mua 1
188 weak: 188 87 188 99 rr_2mua 1
189 strong: 189 87 189 102 rr_2mua 1
190 strong: 190 87 190 102 rr_2mua 1
191 strong: 191 87 191 95 rr_2mua 1
192 weak: 192 87 192 94 rr_2mua 1
193 weak: 193 87 193 92 rr_2mua 1
194 weak: 194 87 194 95 rr_2mua 1
195 weak: 195 87 195 92 rr_2mua 1
196 weak: 196 87 196 92 rr_2mua 1
197 medium: 197 87 197 94 rr_2mua 1
198 weak: 198 87 198 92 rr_2mua 1
199 weak: 199 87 199 92 rr_2mua 1
200 medium: 200 87 200 94 rr_2mua 1
201 medium: 201 87 201 94 rr_2mua 1
202 medium: 202 87 202 94 rr_2mua 1
203 medium: 203 87 203 94 rr_2mua 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 5 5 1 "Not handling restraint 5, item 1, resonance(s) '1.1.HN' (nmrStar names) not linked" rr_2mua 1
2 5 10 1 "Not handling restraint 10, item 1, resonance(s) '1.22.HN1' (nmrStar names) not linked" rr_2mua 1
3 5 11 1 "Not handling restraint 11, item 1, resonance(s) '1.22.HN2' (nmrStar names) not linked" rr_2mua 1
4 5 12 1 "Not handling restraint 12, item 1, resonance(s) '1.22.HN2' (nmrStar names) not linked" rr_2mua 1
5 5 13 1 "Not handling restraint 13, item 1, resonance(s) '1.22.HN1' (nmrStar names) not linked" rr_2mua 1
6 5 72 1 "Not handling restraint 72, item 1, resonance(s) '1.1.HN' (nmrStar names) not linked" rr_2mua 1
7 5 72 1 "Not handling restraint 72, item 1, resonance(s) '1.1.HN' (nmrStar names) not linked" rr_2mua 1
8 5 95 1 "Not handling restraint 95, item 1, resonance(s) '1.1.HN' (nmrStar names) not linked" rr_2mua 1
9 5 95 1 "Not handling restraint 95, item 1, resonance(s) '1.1.HN' (nmrStar names) not linked" rr_2mua 1
10 5 138 1 "Not handling restraint 138, item 1, resonance(s) '1.22.HN2' (nmrStar names) not linked" rr_2mua 1
11 5 139 1 "Not handling restraint 139, item 1, resonance(s) '1.22.HN1' (nmrStar names) not linked" rr_2mua 1
12 5 140 1 "Not handling restraint 140, item 1, resonance(s) '1.22.HN2' (nmrStar names) not linked" rr_2mua 1
13 5 141 1 "Not handling restraint 141, item 1, resonance(s) '1.22.HN1' (nmrStar names) not linked" rr_2mua 1
14 5 144 1 "Not handling restraint 144, item 1, resonance(s) '1.22.HN1' (nmrStar names),'1.22.HN2' (nmrStar names) not linked" rr_2mua 1
stop_
save_
save_Discover_distance_constraints_4_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode Discover_distance_constraints_4_1
_Distance_constraint_list.Entry_ID rr_2mua
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Details "Generated by Wattos"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 4
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_2mua 2
stop_
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . rr_2mua 2
2 1 . . . rr_2mua 2
3 1 . . . rr_2mua 2
4 1 . . . rr_2mua 2
5 1 . . . rr_2mua 2
6 1 . . . rr_2mua 2
7 1 . . . rr_2mua 2
8 1 . . . rr_2mua 2
9 1 . . . rr_2mua 2
10 1 . . . rr_2mua 2
11 1 . . . rr_2mua 2
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Contribution_fractional_val
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Atom_type
_Dist_constraint.Atom_isotope_number
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_entity_assembly_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 . 1 . 1 1 17 17 TRP O O . . 1 . 17 TRP O rr_2mua 2
1 1 . 2 . 1 1 21 21 MET H H . . 1 . 21 MET HN rr_2mua 2
2 1 . 1 . 1 1 16 16 LEU O O . . 1 . 16 LEU O rr_2mua 2
2 1 . 2 . 1 1 20 20 ILE H H . . 1 . 20 ILE HN rr_2mua 2
3 1 . 1 . 1 1 5 5 SER O O . . 1 . 5 SER O rr_2mua 2
3 1 . 2 . 1 1 9 9 ILE H H . . 1 . 9 ILE HN rr_2mua 2
4 1 . 1 . 1 1 7 7 GLY O O . . 1 . 7 GLY O rr_2mua 2
4 1 . 2 . 1 1 11 11 LYS H H . . 1 . 11 LYS HN rr_2mua 2
5 1 . 1 . 1 1 8 8 ASP O O . . 1 . 8 ASP O rr_2mua 2
5 1 . 2 . 1 1 12 12 LYS H H . . 1 . 12 LYS HN rr_2mua 2
6 1 . 1 . 1 1 15 15 THR O O . . 1 . 15 THR O rr_2mua 2
6 1 . 2 . 1 1 19 19 GLU H H . . 1 . 19 GLU HN rr_2mua 2
7 1 . 1 . 1 1 11 11 LYS O O . . 1 . 11 LYS O rr_2mua 2
7 1 . 2 . 1 1 15 15 THR H H . . 1 . 15 THR HN rr_2mua 2
8 1 . 1 . 1 1 14 14 GLN O O . . 1 . 14 GLN O rr_2mua 2
8 1 . 2 . 1 1 18 18 ASP H H . . 1 . 18 ASP HN rr_2mua 2
9 1 . 1 . 1 1 12 12 LYS O O . . 1 . 12 LYS O rr_2mua 2
9 1 . 2 . 1 1 16 16 LEU H H . . 1 . 16 LEU HN rr_2mua 2
10 1 . 1 . 1 1 10 10 ILE O O . . 1 . 10 ILE O rr_2mua 2
10 1 . 2 . 1 1 14 14 GLN H H . . 1 . 14 GLN HN rr_2mua 2
11 1 . 1 . 1 1 13 13 MET O O . . 1 . 13 MET O rr_2mua 2
11 1 . 2 . 1 1 17 17 TRP H H . . 1 . 17 TRP HN rr_2mua 2
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Spectral_peak_list_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . . 1.8 2.5 rr_2mua 2
2 1 . . . . . . . 1.8 2.5 rr_2mua 2
3 1 . . . . . . . 1.8 2.5 rr_2mua 2
4 1 . . . . . . . 1.8 2.5 rr_2mua 2
5 1 . . . . . . . 1.8 2.5 rr_2mua 2
6 1 . . . . . . . 1.8 2.5 rr_2mua 2
7 1 . . . . . . . 1.8 2.5 rr_2mua 2
8 1 . . . . . . . 1.8 2.5 rr_2mua 2
9 1 . . . . . . . 1.8 2.5 rr_2mua 2
10 1 . . . . . . . 1.8 2.5 rr_2mua 2
11 1 . . . . . . . 1.8 2.5 rr_2mua 2
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 distance 1 1 1 9 rr_2mua 2
stop_
save_
save_Discover_dihedral_6
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Sf_framecode Discover_dihedral_6
_Torsion_angle_constraint_list.Entry_ID rr_2mua
_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 6
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_2mua 1
stop_
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Atom_type_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Atom_type_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Atom_type_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Atom_type_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.PDB_record_ID_1
_Torsion_angle_constraint.PDB_model_num_1
_Torsion_angle_constraint.PDB_strand_ID_1
_Torsion_angle_constraint.PDB_ins_code_1
_Torsion_angle_constraint.PDB_residue_no_1
_Torsion_angle_constraint.PDB_residue_name_1
_Torsion_angle_constraint.PDB_atom_name_1
_Torsion_angle_constraint.PDB_record_ID_2
_Torsion_angle_constraint.PDB_model_num_2
_Torsion_angle_constraint.PDB_strand_ID_2
_Torsion_angle_constraint.PDB_ins_code_2
_Torsion_angle_constraint.PDB_residue_no_2
_Torsion_angle_constraint.PDB_residue_name_2
_Torsion_angle_constraint.PDB_atom_name_2
_Torsion_angle_constraint.PDB_record_ID_3
_Torsion_angle_constraint.PDB_model_num_3
_Torsion_angle_constraint.PDB_strand_ID_3
_Torsion_angle_constraint.PDB_ins_code_3
_Torsion_angle_constraint.PDB_residue_no_3
_Torsion_angle_constraint.PDB_residue_name_3
_Torsion_angle_constraint.PDB_atom_name_3
_Torsion_angle_constraint.PDB_record_ID_4
_Torsion_angle_constraint.PDB_model_num_4
_Torsion_angle_constraint.PDB_strand_ID_4
_Torsion_angle_constraint.PDB_ins_code_4
_Torsion_angle_constraint.PDB_residue_no_4
_Torsion_angle_constraint.PDB_residue_name_4
_Torsion_angle_constraint.PDB_atom_name_4
_Torsion_angle_constraint.Auth_entity_assembly_ID_1
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_chain_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_alt_ID_1
_Torsion_angle_constraint.Auth_atom_name_1
_Torsion_angle_constraint.Auth_entity_assembly_ID_2
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_chain_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_alt_ID_2
_Torsion_angle_constraint.Auth_atom_name_2
_Torsion_angle_constraint.Auth_entity_assembly_ID_3
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_chain_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_alt_ID_3
_Torsion_angle_constraint.Auth_atom_name_3
_Torsion_angle_constraint.Auth_entity_assembly_ID_4
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_chain_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Auth_alt_ID_4
_Torsion_angle_constraint.Auth_atom_name_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . 1 1 1 1 TYR CA C . . 1 1 1 1 TYR C C . . 1 1 2 2 LEU N N . . 1 1 2 2 LEU CA C . 178.0 180.0 . . . A . 1 TYR CA . . A . 1 TYR C . . A . 2 LEU N . . A . 2 LEU CA . 1 . 1 TYR CA . . . 1 . 1 TYR C . . . 1 . 2 LEU N . . . 1 . 2 LEU CA . . rr_2mua 1
2 . . 1 1 2 2 LEU CA C . . 1 1 2 2 LEU C C . . 1 1 3 3 GLY N N . . 1 1 3 3 GLY CA C . 178.0 180.0 . . . A . 2 LEU CA . . A . 2 LEU C . . A . 3 GLY N . . A . 3 GLY CA . 1 . 2 LEU CA . . . 1 . 2 LEU C . . . 1 . 3 GLY N . . . 1 . 3 GLY CA . . rr_2mua 1
3 . . 1 1 3 3 GLY CA C . . 1 1 3 3 GLY C C . . 1 1 4 4 ARG N N . . 1 1 4 4 ARG CA C . 178.0 180.0 . . . A . 3 GLY CA . . A . 3 GLY C . . A . 4 ARG N . . A . 4 ARG CA . 1 . 3 GLY CA . . . 1 . 3 GLY C . . . 1 . 4 ARG N . . . 1 . 4 ARG CA . . rr_2mua 1
4 . . 1 1 4 4 ARG CA C . . 1 1 4 4 ARG C C . . 1 1 5 5 SER N N . . 1 1 5 5 SER CA C . 178.0 180.0 . . . A . 4 ARG CA . . A . 4 ARG C . . A . 5 SER N . . A . 5 SER CA . 1 . 4 ARG CA . . . 1 . 4 ARG C . . . 1 . 5 SER N . . . 1 . 5 SER CA . . rr_2mua 1
5 . . 1 1 5 5 SER CA C . . 1 1 5 5 SER C C . . 1 1 6 6 GLY N N . . 1 1 6 6 GLY CA C . 178.0 180.0 . . . A . 5 SER CA . . A . 5 SER C . . A . 6 GLY N . . A . 6 GLY CA . 1 . 5 SER CA . . . 1 . 5 SER C . . . 1 . 6 GLY N . . . 1 . 6 GLY CA . . rr_2mua 1
6 . . 1 1 6 6 GLY CA C . . 1 1 6 6 GLY C C . . 1 1 7 7 GLY N N . . 1 1 7 7 GLY CA C . 178.0 180.0 . . . A . 6 GLY CA . . A . 6 GLY C . . A . 7 GLY N . . A . 7 GLY CA . 1 . 6 GLY CA . . . 1 . 6 GLY C . . . 1 . 7 GLY N . . . 1 . 7 GLY CA . . rr_2mua 1
7 . . 1 1 7 7 GLY CA C . . 1 1 7 7 GLY C C . . 1 1 8 8 ASP N N . . 1 1 8 8 ASP CA C . 178.0 180.0 . . . A . 7 GLY CA . . A . 7 GLY C . . A . 8 ASP N . . A . 8 ASP CA . 1 . 7 GLY CA . . . 1 . 7 GLY C . . . 1 . 8 ASP N . . . 1 . 8 ASP CA . . rr_2mua 1
8 . . 1 1 8 8 ASP CA C . . 1 1 8 8 ASP C C . . 1 1 9 9 ILE N N . . 1 1 9 9 ILE CA C . 178.0 180.0 . . . A . 8 ASP CA . . A . 8 ASP C . . A . 9 ILE N . . A . 9 ILE CA . 1 . 8 ASP CA . . . 1 . 8 ASP C . . . 1 . 9 ILE N . . . 1 . 9 ILE CA . . rr_2mua 1
9 . . 1 1 9 9 ILE CA C . . 1 1 9 9 ILE C C . . 1 1 10 10 ILE N N . . 1 1 10 10 ILE CA C . 178.0 180.0 . . . A . 9 ILE CA . . A . 9 ILE C . . A . 10 ILE N . . A . 10 ILE CA . 1 . 9 ILE CA . . . 1 . 9 ILE C . . . 1 . 10 ILE N . . . 1 . 10 ILE CA . . rr_2mua 1
10 . . 1 1 10 10 ILE CA C . . 1 1 10 10 ILE C C . . 1 1 11 11 LYS N N . . 1 1 11 11 LYS CA C . 178.0 180.0 . . . A . 10 ILE CA . . A . 10 ILE C . . A . 11 LYS N . . A . 11 LYS CA . 1 . 10 ILE CA . . . 1 . 10 ILE C . . . 1 . 11 LYS N . . . 1 . 11 LYS CA . . rr_2mua 1
11 . . 1 1 11 11 LYS CA C . . 1 1 11 11 LYS C C . . 1 1 12 12 LYS N N . . 1 1 12 12 LYS CA C . 178.0 180.0 . . . A . 11 LYS CA . . A . 11 LYS C . . A . 12 LYS N . . A . 12 LYS CA . 1 . 11 LYS CA . . . 1 . 11 LYS C . . . 1 . 12 LYS N . . . 1 . 12 LYS CA . . rr_2mua 1
12 . . 1 1 12 12 LYS CA C . . 1 1 12 12 LYS C C . . 1 1 13 13 MET N N . . 1 1 13 13 MET CA C . 178.0 180.0 . . . A . 12 LYS CA . . A . 12 LYS C . . A . 13 MET N . . A . 13 MET CA . 1 . 12 LYS CA . . . 1 . 12 LYS C . . . 1 . 13 MET N . . . 1 . 13 MET CA . . rr_2mua 1
13 . . 1 1 13 13 MET CA C . . 1 1 13 13 MET C C . . 1 1 14 14 GLN N N . . 1 1 14 14 GLN CA C . 178.0 180.0 . . . A . 13 MET CA . . A . 13 MET C . . A . 14 GLN N . . A . 14 GLN CA . 1 . 13 MET CA . . . 1 . 13 MET C . . . 1 . 14 GLN N . . . 1 . 14 GLN CA . . rr_2mua 1
14 . . 1 1 14 14 GLN CA C . . 1 1 14 14 GLN C C . . 1 1 15 15 THR N N . . 1 1 15 15 THR CA C . 178.0 180.0 . . . A . 14 GLN CA . . A . 14 GLN C . . A . 15 THR N . . A . 15 THR CA . 1 . 14 GLN CA . . . 1 . 14 GLN C . . . 1 . 15 THR N . . . 1 . 15 THR CA . . rr_2mua 1
15 . . 1 1 15 15 THR CA C . . 1 1 15 15 THR C C . . 1 1 16 16 LEU N N . . 1 1 16 16 LEU CA C . 178.0 180.0 . . . A . 15 THR CA . . A . 15 THR C . . A . 16 LEU N . . A . 16 LEU CA . 1 . 15 THR CA . . . 1 . 15 THR C . . . 1 . 16 LEU N . . . 1 . 16 LEU CA . . rr_2mua 1
16 . . 1 1 16 16 LEU CA C . . 1 1 16 16 LEU C C . . 1 1 17 17 TRP N N . . 1 1 17 17 TRP CA C . 178.0 180.0 . . . A . 16 LEU CA . . A . 16 LEU C . . A . 17 TRP N . . A . 17 TRP CA . 1 . 16 LEU CA . . . 1 . 16 LEU C . . . 1 . 17 TRP N . . . 1 . 17 TRP CA . . rr_2mua 1
17 . . 1 1 17 17 TRP CA C . . 1 1 17 17 TRP C C . . 1 1 18 18 ASP N N . . 1 1 18 18 ASP CA C . 178.0 180.0 . . . A . 17 TRP CA . . A . 17 TRP C . . A . 18 ASP N . . A . 18 ASP CA . 1 . 17 TRP CA . . . 1 . 17 TRP C . . . 1 . 18 ASP N . . . 1 . 18 ASP CA . . rr_2mua 1
18 . . 1 1 18 18 ASP CA C . . 1 1 18 18 ASP C C . . 1 1 19 19 GLU N N . . 1 1 19 19 GLU CA C . 178.0 180.0 . . . A . 18 ASP CA . . A . 18 ASP C . . A . 19 GLU N . . A . 19 GLU CA . 1 . 18 ASP CA . . . 1 . 18 ASP C . . . 1 . 19 GLU N . . . 1 . 19 GLU CA . . rr_2mua 1
19 . . 1 1 19 19 GLU CA C . . 1 1 19 19 GLU C C . . 1 1 20 20 ILE N N . . 1 1 20 20 ILE CA C . 178.0 180.0 . . . A . 19 GLU CA . . A . 19 GLU C . . A . 20 ILE N . . A . 20 ILE CA . 1 . 19 GLU CA . . . 1 . 19 GLU C . . . 1 . 20 ILE N . . . 1 . 20 ILE CA . . rr_2mua 1
20 . . 1 1 20 20 ILE CA C . . 1 1 20 20 ILE C C . . 1 1 21 21 MET N N . . 1 1 21 21 MET CA C . 178.0 180.0 . . . A . 20 ILE CA . . A . 20 ILE C . . A . 21 MET N . . A . 21 MET CA . 1 . 20 ILE CA . . . 1 . 20 ILE C . . . 1 . 21 MET N . . . 1 . 21 MET CA . . rr_2mua 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 NMR_dihedral 3 1 4 13 rr_2mua 1
stop_
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1 4.000000E+02 2 1 2 12 rr_2mua 1
stop_
save_
save_Discover_dihedral_7
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Sf_framecode Discover_dihedral_7
_Torsion_angle_constraint_list.Entry_ID rr_2mua
_Torsion_angle_constraint_list.ID 2
_Torsion_angle_constraint_list.Details "Generated by Wattos"
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 7
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_2mua 2
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 14 14 GLN H H . . 1 1 14 14 GLN N N . . 1 1 14 14 GLN CA C . . 1 1 14 14 GLN HA H . -100.0 -40.0 . . . A . 14 GLN H . . A . 14 GLN N . . A . 14 GLN CA . . A . 14 GLN HA . 1 . 14 GLN HN . . . 1 . 14 GLN N . . . 1 . 14 GLN CA . . . 1 . 14 GLN HA . . rr_2mua 2
2 . . 1 1 18 18 ASP H H . . 1 1 18 18 ASP N N . . 1 1 18 18 ASP CA C . . 1 1 18 18 ASP HA H . -100.0 -40.0 . . . A . 18 ASP H . . A . 18 ASP N . . A . 18 ASP CA . . A . 18 ASP HA . 1 . 18 ASP HN . . . 1 . 18 ASP N . . . 1 . 18 ASP CA . . . 1 . 18 ASP HA . . rr_2mua 2
3 . . 1 1 10 10 ILE H H . . 1 1 10 10 ILE N N . . 1 1 10 10 ILE CA C . . 1 1 10 10 ILE HA H . -100.0 -40.0 . . . A . 10 ILE H . . A . 10 ILE N . . A . 10 ILE CA . . A . 10 ILE HA . 1 . 10 ILE HN . . . 1 . 10 ILE N . . . 1 . 10 ILE CA . . . 1 . 10 ILE HA . . rr_2mua 2
4 . . 1 1 16 16 LEU H H . . 1 1 16 16 LEU N N . . 1 1 16 16 LEU CA C . . 1 1 16 16 LEU HA H . -100.0 -40.0 . . . A . 16 LEU H . . A . 16 LEU N . . A . 16 LEU CA . . A . 16 LEU HA . 1 . 16 LEU HN . . . 1 . 16 LEU N . . . 1 . 16 LEU CA . . . 1 . 16 LEU HA . . rr_2mua 2
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 3J_dihedral 1 1 1 12 rr_2mua 2
2 "A=6.700, B=-1.300, C=1.500" 2 124 2 150 rr_2mua 2
3 "A=6.700, B=-1.300, C=1.500" 3 124 3 150 rr_2mua 2
4 "A=6.700, B=-1.300, C=1.500" 4 124 4 150 rr_2mua 2
stop_
save_
save_MR_file_comment_1
_Org_constr_file_comment.Sf_framecode MR_file_comment_1
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID rr_2mua
_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 IMMUNE SYSTEM 05-SEP-14 2MUA *TITLE SHIFTING THE POLARITY OF SOME CRITICAL RESIDUES IN MALARIAL PEPTIDES *TITLE 2 BINDING TO HOST CELLS IS A KEY FACTOR IN BREAKING CONSERVED ANTIGENS *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: RING-INFECTED ERYTHROCYTE SURFACE ANTIGEN; *COMPND 3 CHAIN: A; *COMPND 4 FRAGMENT: UNP RESIDUES 180-200; *COMPND 5 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; *SOURCE 4 ORGANISM_TAXID: 5837 *KEYWDS IMMUNE SYSTEM *EXPDTA SOLUTION NMR *NUMMDL 1 *AUTHOR G.CIFUENTES, A.BERMUDEZ, R.RODRIGUEZ, M.PATARROYO *REVDAT 1 16-SEP-15 2MUA 0"
save_
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