NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | program | type | subtype | item_count |
|
|
373438 |
1du1   |
4631 | cing | recoord | dress | 3-converted-DOCR | STAR | entry | full | 218 |
data_DOCR_restraints_with_modified_coordinates_PDB_code_1du1
# This DOCR archive file contains, for PDB entry <1du1>:
#
# - 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, W Vranken, C Penkett, J Lin, CF Schulte, G Vuister, G Vriend,
# JL Markley, EL Ulrich. BioMagResBank database `NMR Restraints Grid` with
# curated sets of experimental NMR restraints for over 4,000 protein and nucleic
# acid PDB entries. (in preparation)
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID rr_1du1
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 1du1"
_Entry.NMR_STAR_version 3.1
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype solution
_Entry.Details "Contains the remediated restraint lists and coordinates for PDB entry 1du1"
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_1du1
_Assembly.ID 1
_Assembly.Name 1du1
_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 2337.7654
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 "SKELETAL DIHYDROPYRIDINE RECEPTOR" 1 $SKELETAL_DIHYDROPYRIDINE_RECEPTOR A . no . . . . . . rr_1du1 1
stop_
save_
save_SKELETAL_DIHYDROPYRIDINE_RECEPTOR
_Entity.Sf_category entity
_Entity.Sf_framecode SKELETAL_DIHYDROPYRIDINE_RECEPTOR
_Entity.Entry_ID rr_1du1
_Entity.ID 1
_Entity.Name SKELETAL_DIHYDROPYRIDINE_RECEPTOR
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code TSAQKAKAEERKRRKMSRGL
_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 20
_Entity.Paramagnetic no
_Entity.Thiol_state "not present"
_Entity.Parent_entity_ID 1
_Entity.Formula_weight 2337.7654
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 . THR . rr_1du1 1
2 . SER . rr_1du1 1
3 . ALA . rr_1du1 1
4 . GLN . rr_1du1 1
5 . LYS . rr_1du1 1
6 . ALA . rr_1du1 1
7 . LYS . rr_1du1 1
8 . ALA . rr_1du1 1
9 . GLU . rr_1du1 1
10 . GLU . rr_1du1 1
11 . ARG . rr_1du1 1
12 . LYS . rr_1du1 1
13 . ARG . rr_1du1 1
14 . ARG . rr_1du1 1
15 . LYS . rr_1du1 1
16 . MET . rr_1du1 1
17 . SER . rr_1du1 1
18 . ARG . rr_1du1 1
19 . GLY . rr_1du1 1
20 . LEU . rr_1du1 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
. THR 1 1 rr_1du1 1
. SER 2 2 rr_1du1 1
. ALA 3 3 rr_1du1 1
. GLN 4 4 rr_1du1 1
. LYS 5 5 rr_1du1 1
. ALA 6 6 rr_1du1 1
. LYS 7 7 rr_1du1 1
. ALA 8 8 rr_1du1 1
. GLU 9 9 rr_1du1 1
. GLU 10 10 rr_1du1 1
. ARG 11 11 rr_1du1 1
. LYS 12 12 rr_1du1 1
. ARG 13 13 rr_1du1 1
. ARG 14 14 rr_1du1 1
. LYS 15 15 rr_1du1 1
. MET 16 16 rr_1du1 1
. SER 17 17 rr_1du1 1
. ARG 18 18 rr_1du1 1
. GLY 19 19 rr_1du1 1
. LEU 20 20 rr_1du1 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_1du1
_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_1du1
_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_1du1 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_1du1 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 THR C C 5.549 -9.342 -7.415 . . . 1.0 . . . . . . . . . . . . A . 1 THR C . . . . . . . . . rr_1du1 1
. 1 . 2 . 1 1 1 THR CA C 6.418 -9.657 -8.635 . . . 1.0 . . . . . . . . . . . . A . 1 THR CA . . . . . . . . . rr_1du1 1
. 1 . 3 . 1 1 1 THR CB C 7.681 -8.796 -8.632 . . . 1.0 . . . . . . . . . . . . A . 1 THR CB . . . . . . . . . rr_1du1 1
. 1 . 4 . 1 1 1 THR CG2 C 8.516 -9.104 -9.876 . . . 1.0 . . . . . . . . . . . . A . 1 THR CG2 . . . . . . . . . rr_1du1 1
. 1 . 5 . 1 1 1 THR H1 H 5.914 -8.298 -10.131 . . . 1.0 . . . . . . . . . . . . A . 1 THR H1 . . . . . . . . . rr_1du1 1
. 1 . 6 . 1 1 1 THR H2 H 4.675 -9.395 -9.746 . . . 1.0 . . . . . . . . . . . . A . 1 THR H2 . . . . . . . . . rr_1du1 1
. 1 . 7 . 1 1 1 THR H3 H 6.011 -9.905 -10.663 . . . 1.0 . . . . . . . . . . . . A . 1 THR H3 . . . . . . . . . rr_1du1 1
. 1 . 8 . 1 1 1 THR HA H 6.685 -10.702 -8.649 . . . 1.0 . . . . . . . . . . . . A . 1 THR HA . . . . . . . . . rr_1du1 1
. 1 . 9 . 1 1 1 THR HB H 8.264 -9.013 -7.750 . . . 1.0 . . . . . . . . . . . . A . 1 THR HB . . . . . . . . . rr_1du1 1
. 1 . 10 . 1 1 1 THR HG1 H 8.100 -6.907 -8.835 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG1 . . . . . . . . . rr_1du1 1
. 1 . 11 . 1 1 1 THR HG21 H 8.154 -8.517 -10.707 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG21 . . . . . . . . . rr_1du1 1
. 1 . 12 . 1 1 1 THR HG22 H 8.432 -10.155 -10.113 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG22 . . . . . . . . . rr_1du1 1
. 1 . 13 . 1 1 1 THR HG23 H 9.550 -8.859 -9.685 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG23 . . . . . . . . . rr_1du1 1
. 1 . 14 . 1 1 1 THR N N 5.700 -9.286 -9.888 . . . 1.0 . . . . . . . . . . . . A . 1 THR N . . . . . . . . . rr_1du1 1
. 1 . 15 . 1 1 1 THR O O 4.527 -8.693 -7.519 . . . 1.0 . . . . . . . . . . . . A . 1 THR O . . . . . . . . . rr_1du1 1
. 1 . 16 . 1 1 1 THR OG1 O 7.316 -7.423 -8.632 . . . 1.0 . . . . . . . . . . . . A . 1 THR OG1 . . . . . . . . . rr_1du1 1
. 1 . 17 . 1 1 2 SER C C 5.053 -8.012 -4.786 . . . 1.0 . . . . . . . . . . . . A . 2 SER C . . . . . . . . . rr_1du1 1
. 1 . 18 . 1 1 2 SER CA C 5.144 -9.520 -5.032 . . . 1.0 . . . . . . . . . . . . A . 2 SER CA . . . . . . . . . rr_1du1 1
. 1 . 19 . 1 1 2 SER CB C 5.906 -10.203 -3.898 . . . 1.0 . . . . . . . . . . . . A . 2 SER CB . . . . . . . . . rr_1du1 1
. 1 . 20 . 1 1 2 SER H H 6.775 -10.316 -6.194 . . . 1.0 . . . . . . . . . . . . A . 2 SER H . . . . . . . . . rr_1du1 1
. 1 . 21 . 1 1 2 SER HA H 4.158 -9.948 -5.124 . . . 1.0 . . . . . . . . . . . . A . 2 SER HA . . . . . . . . . rr_1du1 1
. 1 . 22 . 1 1 2 SER HB2 H 6.542 -9.487 -3.406 . . . 1.0 . . . . . . . . . . . . A . 2 SER HB2 . . . . . . . . . rr_1du1 1
. 1 . 23 . 1 1 2 SER HB3 H 5.200 -10.605 -3.183 . . . 1.0 . . . . . . . . . . . . A . 2 SER HB3 . . . . . . . . . rr_1du1 1
. 1 . 24 . 1 1 2 SER HG H 7.604 -10.922 -4.518 . . . 1.0 . . . . . . . . . . . . A . 2 SER HG . . . . . . . . . rr_1du1 1
. 1 . 25 . 1 1 2 SER N N 5.948 -9.795 -6.258 . . . 1.0 . . . . . . . . . . . . A . 2 SER N . . . . . . . . . rr_1du1 1
. 1 . 26 . 1 1 2 SER O O 3.984 -7.468 -4.591 . . . 1.0 . . . . . . . . . . . . A . 2 SER O . . . . . . . . . rr_1du1 1
. 1 . 27 . 1 1 2 SER OG O 6.706 -11.249 -4.433 . . . 1.0 . . . . . . . . . . . . A . 2 SER OG . . . . . . . . . rr_1du1 1
. 1 . 28 . 1 1 3 ALA C C 5.305 -5.176 -5.632 . . . 1.0 . . . . . . . . . . . . A . 3 ALA C . . . . . . . . . rr_1du1 1
. 1 . 29 . 1 1 3 ALA CA C 6.145 -5.865 -4.558 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CA . . . . . . . . . rr_1du1 1
. 1 . 30 . 1 1 3 ALA CB C 7.606 -5.425 -4.653 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CB . . . . . . . . . rr_1du1 1
. 1 . 31 . 1 1 3 ALA H H 7.016 -7.783 -4.949 . . . 1.0 . . . . . . . . . . . . A . 3 ALA H . . . . . . . . . rr_1du1 1
. 1 . 32 . 1 1 3 ALA HA H 5.760 -5.653 -3.581 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HA . . . . . . . . . rr_1du1 1
. 1 . 33 . 1 1 3 ALA HB1 H 8.083 -5.936 -5.477 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB1 . . . . . . . . . rr_1du1 1
. 1 . 34 . 1 1 3 ALA HB2 H 8.117 -5.670 -3.734 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB2 . . . . . . . . . rr_1du1 1
. 1 . 35 . 1 1 3 ALA HB3 H 7.651 -4.359 -4.817 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB3 . . . . . . . . . rr_1du1 1
. 1 . 36 . 1 1 3 ALA N N 6.167 -7.331 -4.792 . . . 1.0 . . . . . . . . . . . . A . 3 ALA N . . . . . . . . . rr_1du1 1
. 1 . 37 . 1 1 3 ALA O O 4.522 -4.290 -5.353 . . . 1.0 . . . . . . . . . . . . A . 3 ALA O . . . . . . . . . rr_1du1 1
. 1 . 38 . 1 1 4 GLN C C 3.191 -5.075 -7.668 . . . 1.0 . . . . . . . . . . . . A . 4 GLN C . . . . . . . . . rr_1du1 1
. 1 . 39 . 1 1 4 GLN CA C 4.687 -4.960 -7.957 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CA . . . . . . . . . rr_1du1 1
. 1 . 40 . 1 1 4 GLN CB C 5.056 -5.760 -9.208 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CB . . . . . . . . . rr_1du1 1
. 1 . 41 . 1 1 4 GLN CD C 6.451 -5.744 -11.281 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CD . . . . . . . . . rr_1du1 1
. 1 . 42 . 1 1 4 GLN CG C 6.227 -5.081 -9.920 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CG . . . . . . . . . rr_1du1 1
. 1 . 43 . 1 1 4 GLN H H 6.098 -6.289 -7.056 . . . 1.0 . . . . . . . . . . . . A . 4 GLN H . . . . . . . . . rr_1du1 1
. 1 . 44 . 1 1 4 GLN HA H 4.975 -3.938 -8.077 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HA . . . . . . . . . rr_1du1 1
. 1 . 45 . 1 1 4 GLN HB2 H 5.339 -6.763 -8.923 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB2 . . . . . . . . . rr_1du1 1
. 1 . 46 . 1 1 4 GLN HB3 H 4.207 -5.800 -9.873 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB3 . . . . . . . . . rr_1du1 1
. 1 . 47 . 1 1 4 GLN HE21 H 4.624 -5.332 -11.941 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE21 . . . . . . . . . rr_1du1 1
. 1 . 48 . 1 1 4 GLN HE22 H 5.618 -6.172 -13.031 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE22 . . . . . . . . . rr_1du1 1
. 1 . 49 . 1 1 4 GLN HG2 H 6.004 -4.033 -10.062 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG2 . . . . . . . . . rr_1du1 1
. 1 . 50 . 1 1 4 GLN HG3 H 7.120 -5.181 -9.322 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG3 . . . . . . . . . rr_1du1 1
. 1 . 51 . 1 1 4 GLN N N 5.465 -5.580 -6.859 . . . 1.0 . . . . . . . . . . . . A . 4 GLN N . . . . . . . . . rr_1du1 1
. 1 . 52 . 1 1 4 GLN NE2 N 5.484 -5.750 -12.157 . . . 1.0 . . . . . . . . . . . . A . 4 GLN NE2 . . . . . . . . . rr_1du1 1
. 1 . 53 . 1 1 4 GLN O O 2.418 -4.182 -7.957 . . . 1.0 . . . . . . . . . . . . A . 4 GLN O . . . . . . . . . rr_1du1 1
. 1 . 54 . 1 1 4 GLN OE1 O 7.517 -6.262 -11.549 . . . 1.0 . . . . . . . . . . . . A . 4 GLN OE1 . . . . . . . . . rr_1du1 1
. 1 . 55 . 1 1 5 LYS C C 0.906 -5.384 -5.680 . . . 1.0 . . . . . . . . . . . . A . 5 LYS C . . . . . . . . . rr_1du1 1
. 1 . 56 . 1 1 5 LYS CA C 1.335 -6.356 -6.781 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CA . . . . . . . . . rr_1du1 1
. 1 . 57 . 1 1 5 LYS CB C 1.216 -7.801 -6.296 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CB . . . . . . . . . rr_1du1 1
. 1 . 58 . 1 1 5 LYS CD C -0.496 -8.464 -4.601 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CD . . . . . . . . . rr_1du1 1
. 1 . 59 . 1 1 5 LYS CE C -0.847 -9.946 -4.447 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CE . . . . . . . . . rr_1du1 1
. 1 . 60 . 1 1 5 LYS CG C -0.258 -8.147 -6.079 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CG . . . . . . . . . rr_1du1 1
. 1 . 61 . 1 1 5 LYS H H 3.427 -6.874 -6.872 . . . 1.0 . . . . . . . . . . . . A . 5 LYS H . . . . . . . . . rr_1du1 1
. 1 . 62 . 1 1 5 LYS HA H 0.735 -6.213 -7.666 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HA . . . . . . . . . rr_1du1 1
. 1 . 63 . 1 1 5 LYS HB2 H 1.638 -8.465 -7.036 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB2 . . . . . . . . . rr_1du1 1
. 1 . 64 . 1 1 5 LYS HB3 H 1.751 -7.912 -5.364 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB3 . . . . . . . . . rr_1du1 1
. 1 . 65 . 1 1 5 LYS HD2 H 0.400 -8.245 -4.038 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD2 . . . . . . . . . rr_1du1 1
. 1 . 66 . 1 1 5 LYS HD3 H -1.312 -7.862 -4.230 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD3 . . . . . . . . . rr_1du1 1
. 1 . 67 . 1 1 5 LYS HE2 H -1.885 -10.113 -4.699 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE2 . . . . . . . . . rr_1du1 1
. 1 . 68 . 1 1 5 LYS HE3 H -0.205 -10.552 -5.067 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE3 . . . . . . . . . rr_1du1 1
. 1 . 69 . 1 1 5 LYS HG2 H -0.871 -7.306 -6.371 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG2 . . . . . . . . . rr_1du1 1
. 1 . 70 . 1 1 5 LYS HG3 H -0.518 -9.008 -6.676 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG3 . . . . . . . . . rr_1du1 1
. 1 . 71 . 1 1 5 LYS HZ1 H -1.257 -10.996 -2.697 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ1 . . . . . . . . . rr_1du1 1
. 1 . 72 . 1 1 5 LYS HZ2 H -0.760 -9.392 -2.442 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ2 . . . . . . . . . rr_1du1 1
. 1 . 73 . 1 1 5 LYS HZ3 H 0.376 -10.576 -2.885 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ3 . . . . . . . . . rr_1du1 1
. 1 . 74 . 1 1 5 LYS N N 2.781 -6.171 -7.096 . . . 1.0 . . . . . . . . . . . . A . 5 LYS N . . . . . . . . . rr_1du1 1
. 1 . 75 . 1 1 5 LYS NZ N -0.604 -10.250 -3.010 . . . 1.0 . . . . . . . . . . . . A . 5 LYS NZ . . . . . . . . . rr_1du1 1
. 1 . 76 . 1 1 5 LYS O O -0.248 -5.018 -5.577 . . . 1.0 . . . . . . . . . . . . A . 5 LYS O . . . . . . . . . rr_1du1 1
. 1 . 77 . 1 1 6 ALA C C 0.829 -2.766 -4.354 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_1du1 1
. 1 . 78 . 1 1 6 ALA CA C 1.472 -4.021 -3.766 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_1du1 1
. 1 . 79 . 1 1 6 ALA CB C 2.799 -3.680 -3.088 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_1du1 1
. 1 . 80 . 1 1 6 ALA H H 2.746 -5.269 -4.954 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_1du1 1
. 1 . 81 . 1 1 6 ALA HA H 0.811 -4.494 -3.066 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_1du1 1
. 1 . 82 . 1 1 6 ALA HB1 H 3.342 -2.972 -3.696 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_1du1 1
. 1 . 83 . 1 1 6 ALA HB2 H 3.385 -4.579 -2.972 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_1du1 1
. 1 . 84 . 1 1 6 ALA HB3 H 2.606 -3.248 -2.117 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_1du1 1
. 1 . 85 . 1 1 6 ALA N N 1.826 -4.965 -4.856 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_1du1 1
. 1 . 86 . 1 1 6 ALA O O -0.085 -2.201 -3.792 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_1du1 1
. 1 . 87 . 1 1 7 LYS C C -0.659 -1.383 -6.651 . . . 1.0 . . . . . . . . . . . . A . 7 LYS C . . . . . . . . . rr_1du1 1
. 1 . 88 . 1 1 7 LYS CA C 0.748 -1.110 -6.108 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CA . . . . . . . . . rr_1du1 1
. 1 . 89 . 1 1 7 LYS CB C 1.706 -0.777 -7.253 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CB . . . . . . . . . rr_1du1 1
. 1 . 90 . 1 1 7 LYS CD C 3.857 0.383 -7.769 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CD . . . . . . . . . rr_1du1 1
. 1 . 91 . 1 1 7 LYS CE C 5.336 0.011 -7.637 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CE . . . . . . . . . rr_1du1 1
. 1 . 92 . 1 1 7 LYS CG C 3.052 -0.329 -6.680 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CG . . . . . . . . . rr_1du1 1
. 1 . 93 . 1 1 7 LYS H H 2.049 -2.787 -5.904 . . . 1.0 . . . . . . . . . . . . A . 7 LYS H . . . . . . . . . rr_1du1 1
. 1 . 94 . 1 1 7 LYS HA H 0.736 -0.313 -5.401 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HA . . . . . . . . . rr_1du1 1
. 1 . 95 . 1 1 7 LYS HB2 H 1.849 -1.654 -7.868 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB2 . . . . . . . . . rr_1du1 1
. 1 . 96 . 1 1 7 LYS HB3 H 1.289 0.018 -7.851 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB3 . . . . . . . . . rr_1du1 1
. 1 . 97 . 1 1 7 LYS HD2 H 3.494 0.080 -8.740 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD2 . . . . . . . . . rr_1du1 1
. 1 . 98 . 1 1 7 LYS HD3 H 3.745 1.451 -7.659 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD3 . . . . . . . . . rr_1du1 1
. 1 . 99 . 1 1 7 LYS HE2 H 5.743 0.415 -6.719 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE2 . . . . . . . . . rr_1du1 1
. 1 . 100 . 1 1 7 LYS HE3 H 5.459 -1.060 -7.666 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE3 . . . . . . . . . rr_1du1 1
. 1 . 101 . 1 1 7 LYS HG2 H 2.884 0.347 -5.854 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG2 . . . . . . . . . rr_1du1 1
. 1 . 102 . 1 1 7 LYS HG3 H 3.601 -1.191 -6.335 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG3 . . . . . . . . . rr_1du1 1
. 1 . 103 . 1 1 7 LYS HZ1 H 6.876 0.125 -9.032 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ1 . . . . . . . . . rr_1du1 1
. 1 . 104 . 1 1 7 LYS HZ2 H 6.211 1.630 -8.609 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ2 . . . . . . . . . rr_1du1 1
. 1 . 105 . 1 1 7 LYS HZ3 H 5.359 0.581 -9.639 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ3 . . . . . . . . . rr_1du1 1
. 1 . 106 . 1 1 7 LYS N N 1.311 -2.325 -5.479 . . . 1.0 . . . . . . . . . . . . A . 7 LYS N . . . . . . . . . rr_1du1 1
. 1 . 107 . 1 1 7 LYS NZ N 5.995 0.634 -8.818 . . . 1.0 . . . . . . . . . . . . A . 7 LYS NZ . . . . . . . . . rr_1du1 1
. 1 . 108 . 1 1 7 LYS O O -1.499 -0.506 -6.696 . . . 1.0 . . . . . . . . . . . . A . 7 LYS O . . . . . . . . . rr_1du1 1
. 1 . 109 . 1 1 8 ALA C C -3.154 -3.440 -6.502 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_1du1 1
. 1 . 110 . 1 1 8 ALA CA C -2.256 -2.925 -7.610 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_1du1 1
. 1 . 111 . 1 1 8 ALA CB C -2.017 -3.995 -8.675 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_1du1 1
. 1 . 112 . 1 1 8 ALA H H -0.241 -3.274 -7.021 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_1du1 1
. 1 . 113 . 1 1 8 ALA HA H -2.682 -2.054 -8.044 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_1du1 1
. 1 . 114 . 1 1 8 ALA HB1 H -2.914 -4.125 -9.262 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_1du1 1
. 1 . 115 . 1 1 8 ALA HB2 H -1.761 -4.928 -8.196 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_1du1 1
. 1 . 116 . 1 1 8 ALA HB3 H -1.207 -3.687 -9.320 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_1du1 1
. 1 . 117 . 1 1 8 ALA N N -0.919 -2.592 -7.068 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_1du1 1
. 1 . 118 . 1 1 8 ALA O O -4.000 -4.290 -6.699 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_1du1 1
. 1 . 119 . 1 1 9 GLU C C -3.689 -2.329 -3.041 . . . 1.0 . . . . . . . . . . . . A . 9 GLU C . . . . . . . . . rr_1du1 1
. 1 . 120 . 1 1 9 GLU CA C -3.798 -3.340 -4.186 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CA . . . . . . . . . rr_1du1 1
. 1 . 121 . 1 1 9 GLU CB C -3.238 -4.702 -3.769 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CB . . . . . . . . . rr_1du1 1
. 1 . 122 . 1 1 9 GLU CD C -2.721 -6.163 -1.806 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CD . . . . . . . . . rr_1du1 1
. 1 . 123 . 1 1 9 GLU CG C -3.035 -4.734 -2.252 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CG . . . . . . . . . rr_1du1 1
. 1 . 124 . 1 1 9 GLU H H -2.285 -2.236 -5.237 . . . 1.0 . . . . . . . . . . . . A . 9 GLU H . . . . . . . . . rr_1du1 1
. 1 . 125 . 1 1 9 GLU HA H -4.816 -3.441 -4.493 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HA . . . . . . . . . rr_1du1 1
. 1 . 126 . 1 1 9 GLU HB2 H -3.933 -5.479 -4.055 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB2 . . . . . . . . . rr_1du1 1
. 1 . 127 . 1 1 9 GLU HB3 H -2.292 -4.868 -4.260 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB3 . . . . . . . . . rr_1du1 1
. 1 . 128 . 1 1 9 GLU HG2 H -2.213 -4.083 -1.990 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG2 . . . . . . . . . rr_1du1 1
. 1 . 129 . 1 1 9 GLU HG3 H -3.935 -4.392 -1.761 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG3 . . . . . . . . . rr_1du1 1
. 1 . 130 . 1 1 9 GLU N N -2.969 -2.916 -5.342 . . . 1.0 . . . . . . . . . . . . A . 9 GLU N . . . . . . . . . rr_1du1 1
. 1 . 131 . 1 1 9 GLU O O -4.639 -2.090 -2.322 . . . 1.0 . . . . . . . . . . . . A . 9 GLU O . . . . . . . . . rr_1du1 1
. 1 . 132 . 1 1 9 GLU OE1 O -1.792 -6.741 -2.345 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE1 . . . . . . . . . rr_1du1 1
. 1 . 133 . 1 1 9 GLU OE2 O -3.416 -6.655 -0.932 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE2 . . . . . . . . . rr_1du1 1
. 1 . 134 . 1 1 10 GLU C C -3.047 0.563 -2.100 . . . 1.0 . . . . . . . . . . . . A . 10 GLU C . . . . . . . . . rr_1du1 1
. 1 . 135 . 1 1 10 GLU CA C -2.378 -0.763 -1.753 . . . 1.0 . . . . . . . . . . . . A . 10 GLU CA . . . . . . . . . rr_1du1 1
. 1 . 136 . 1 1 10 GLU CB C -0.869 -0.585 -1.584 . . . 1.0 . . . . . . . . . . . . A . 10 GLU CB . . . . . . . . . rr_1du1 1
. 1 . 137 . 1 1 10 GLU CD C 0.873 -0.700 0.204 . . . 1.0 . . . . . . . . . . . . A . 10 GLU CD . . . . . . . . . rr_1du1 1
. 1 . 138 . 1 1 10 GLU CG C -0.554 -0.257 -0.123 . . . 1.0 . . . . . . . . . . . . A . 10 GLU CG . . . . . . . . . rr_1du1 1
. 1 . 139 . 1 1 10 GLU H H -1.789 -1.951 -3.432 . . . 1.0 . . . . . . . . . . . . A . 10 GLU H . . . . . . . . . rr_1du1 1
. 1 . 140 . 1 1 10 GLU HA H -2.804 -1.160 -0.856 . . . 1.0 . . . . . . . . . . . . A . 10 GLU HA . . . . . . . . . rr_1du1 1
. 1 . 141 . 1 1 10 GLU HB2 H -0.365 -1.498 -1.865 . . . 1.0 . . . . . . . . . . . . A . 10 GLU HB2 . . . . . . . . . rr_1du1 1
. 1 . 142 . 1 1 10 GLU HB3 H -0.529 0.224 -2.213 . . . 1.0 . . . . . . . . . . . . A . 10 GLU HB3 . . . . . . . . . rr_1du1 1
. 1 . 143 . 1 1 10 GLU HG2 H -0.647 0.808 0.035 . . . 1.0 . . . . . . . . . . . . A . 10 GLU HG2 . . . . . . . . . rr_1du1 1
. 1 . 144 . 1 1 10 GLU HG3 H -1.247 -0.778 0.521 . . . 1.0 . . . . . . . . . . . . A . 10 GLU HG3 . . . . . . . . . rr_1du1 1
. 1 . 145 . 1 1 10 GLU N N -2.541 -1.742 -2.857 . . . 1.0 . . . . . . . . . . . . A . 10 GLU N . . . . . . . . . rr_1du1 1
. 1 . 146 . 1 1 10 GLU O O -2.571 1.625 -1.749 . . . 1.0 . . . . . . . . . . . . A . 10 GLU O . . . . . . . . . rr_1du1 1
. 1 . 147 . 1 1 10 GLU OE1 O 1.557 -1.144 -0.703 . . . 1.0 . . . . . . . . . . . . A . 10 GLU OE1 . . . . . . . . . rr_1du1 1
. 1 . 148 . 1 1 10 GLU OE2 O 1.259 -0.587 1.356 . . . 1.0 . . . . . . . . . . . . A . 10 GLU OE2 . . . . . . . . . rr_1du1 1
. 1 . 149 . 1 1 11 ARG C C -5.537 2.281 -1.831 . . . 1.0 . . . . . . . . . . . . A . 11 ARG C . . . . . . . . . rr_1du1 1
. 1 . 150 . 1 1 11 ARG CA C -4.886 1.751 -3.102 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CA . . . . . . . . . rr_1du1 1
. 1 . 151 . 1 1 11 ARG CB C -5.941 1.341 -4.129 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CB . . . . . . . . . rr_1du1 1
. 1 . 152 . 1 1 11 ARG CD C -7.432 2.171 -5.955 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CD . . . . . . . . . rr_1du1 1
. 1 . 153 . 1 1 11 ARG CG C -6.491 2.588 -4.823 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CG . . . . . . . . . rr_1du1 1
. 1 . 154 . 1 1 11 ARG CZ C -7.069 0.918 -7.996 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CZ . . . . . . . . . rr_1du1 1
. 1 . 155 . 1 1 11 ARG H H -4.534 -0.353 -3.007 . . . 1.0 . . . . . . . . . . . . A . 11 ARG H . . . . . . . . . rr_1du1 1
. 1 . 156 . 1 1 11 ARG HA H -4.212 2.470 -3.520 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HA . . . . . . . . . rr_1du1 1
. 1 . 157 . 1 1 11 ARG HB2 H -5.493 0.687 -4.864 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB2 . . . . . . . . . rr_1du1 1
. 1 . 158 . 1 1 11 ARG HB3 H -6.747 0.823 -3.631 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB3 . . . . . . . . . rr_1du1 1
. 1 . 159 . 1 1 11 ARG HD2 H -8.157 1.454 -5.595 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD2 . . . . . . . . . rr_1du1 1
. 1 . 160 . 1 1 11 ARG HD3 H -7.928 3.035 -6.371 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD3 . . . . . . . . . rr_1du1 1
. 1 . 161 . 1 1 11 ARG HE H -5.574 1.613 -6.890 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HE . . . . . . . . . rr_1du1 1
. 1 . 162 . 1 1 11 ARG HG2 H -7.033 3.189 -4.106 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG2 . . . . . . . . . rr_1du1 1
. 1 . 163 . 1 1 11 ARG HG3 H -5.674 3.164 -5.230 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG3 . . . . . . . . . rr_1du1 1
. 1 . 164 . 1 1 11 ARG HH11 H -8.927 0.931 -7.249 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH11 . . . . . . . . . rr_1du1 1
. 1 . 165 . 1 1 11 ARG HH12 H -8.746 0.168 -8.793 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH12 . . . . . . . . . rr_1du1 1
. 1 . 166 . 1 1 11 ARG HH21 H -5.334 0.756 -8.981 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH21 . . . . . . . . . rr_1du1 1
. 1 . 167 . 1 1 11 ARG HH22 H -6.712 0.069 -9.774 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH22 . . . . . . . . . rr_1du1 1
. 1 . 168 . 1 1 11 ARG N N -4.163 0.506 -2.760 . . . 1.0 . . . . . . . . . . . . A . 11 ARG N . . . . . . . . . rr_1du1 1
. 1 . 169 . 1 1 11 ARG NE N -6.547 1.549 -6.979 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NE . . . . . . . . . rr_1du1 1
. 1 . 170 . 1 1 11 ARG NH1 N -8.347 0.652 -8.014 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH1 . . . . . . . . . rr_1du1 1
. 1 . 171 . 1 1 11 ARG NH2 N -6.313 0.553 -8.995 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH2 . . . . . . . . . rr_1du1 1
. 1 . 172 . 1 1 11 ARG O O -5.551 3.465 -1.560 . . . 1.0 . . . . . . . . . . . . A . 11 ARG O . . . . . . . . . rr_1du1 1
. 1 . 173 . 1 1 12 LYS C C -5.615 1.905 1.313 . . . 1.0 . . . . . . . . . . . . A . 12 LYS C . . . . . . . . . rr_1du1 1
. 1 . 174 . 1 1 12 LYS CA C -6.693 1.779 0.234 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CA . . . . . . . . . rr_1du1 1
. 1 . 175 . 1 1 12 LYS CB C -7.652 0.633 0.558 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CB . . . . . . . . . rr_1du1 1
. 1 . 176 . 1 1 12 LYS CD C -7.217 -1.766 0.007 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CD . . . . . . . . . rr_1du1 1
. 1 . 177 . 1 1 12 LYS CE C -8.726 -2.013 0.069 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CE . . . . . . . . . rr_1du1 1
. 1 . 178 . 1 1 12 LYS CG C -6.848 -0.611 0.941 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CG . . . . . . . . . rr_1du1 1
. 1 . 179 . 1 1 12 LYS H H -6.015 0.448 -1.281 . . . 1.0 . . . . . . . . . . . . A . 12 LYS H . . . . . . . . . rr_1du1 1
. 1 . 180 . 1 1 12 LYS HA H -7.231 2.695 0.115 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HA . . . . . . . . . rr_1du1 1
. 1 . 181 . 1 1 12 LYS HB2 H -8.291 0.918 1.380 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HB2 . . . . . . . . . rr_1du1 1
. 1 . 182 . 1 1 12 LYS HB3 H -8.255 0.413 -0.310 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HB3 . . . . . . . . . rr_1du1 1
. 1 . 183 . 1 1 12 LYS HD2 H -6.934 -1.514 -1.005 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HD2 . . . . . . . . . rr_1du1 1
. 1 . 184 . 1 1 12 LYS HD3 H -6.695 -2.659 0.315 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HD3 . . . . . . . . . rr_1du1 1
. 1 . 185 . 1 1 12 LYS HE2 H -8.960 -2.694 0.876 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HE2 . . . . . . . . . rr_1du1 1
. 1 . 186 . 1 1 12 LYS HE3 H -9.255 -1.082 0.195 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HE3 . . . . . . . . . rr_1du1 1
. 1 . 187 . 1 1 12 LYS HG2 H -5.793 -0.398 0.851 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HG2 . . . . . . . . . rr_1du1 1
. 1 . 188 . 1 1 12 LYS HG3 H -7.075 -0.888 1.959 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HG3 . . . . . . . . . rr_1du1 1
. 1 . 189 . 1 1 12 LYS HZ1 H -8.399 -2.290 -1.968 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HZ1 . . . . . . . . . rr_1du1 1
. 1 . 190 . 1 1 12 LYS HZ2 H -10.035 -2.345 -1.514 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HZ2 . . . . . . . . . rr_1du1 1
. 1 . 191 . 1 1 12 LYS HZ3 H -9.012 -3.658 -1.174 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HZ3 . . . . . . . . . rr_1du1 1
. 1 . 192 . 1 1 12 LYS N N -6.057 1.387 -1.040 . . . 1.0 . . . . . . . . . . . . A . 12 LYS N . . . . . . . . . rr_1du1 1
. 1 . 193 . 1 1 12 LYS NZ N -9.069 -2.623 -1.246 . . . 1.0 . . . . . . . . . . . . A . 12 LYS NZ . . . . . . . . . rr_1du1 1
. 1 . 194 . 1 1 12 LYS O O -4.487 1.499 1.115 . . . 1.0 . . . . . . . . . . . . A . 12 LYS O . . . . . . . . . rr_1du1 1
. 1 . 195 . 1 1 13 ARG C C -3.548 2.893 2.928 . . . 1.0 . . . . . . . . . . . . A . 13 ARG C . . . . . . . . . rr_1du1 1
. 1 . 196 . 1 1 13 ARG CA C -4.925 2.599 3.529 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CA . . . . . . . . . rr_1du1 1
. 1 . 197 . 1 1 13 ARG CB C -4.916 1.247 4.246 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CB . . . . . . . . . rr_1du1 1
. 1 . 198 . 1 1 13 ARG CD C -4.188 -1.134 4.046 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CD . . . . . . . . . rr_1du1 1
. 1 . 199 . 1 1 13 ARG CG C -4.500 0.147 3.269 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CG . . . . . . . . . rr_1du1 1
. 1 . 200 . 1 1 13 ARG CZ C -2.812 -2.873 3.074 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CZ . . . . . . . . . rr_1du1 1
. 1 . 201 . 1 1 13 ARG H H -6.860 2.778 2.590 . . . 1.0 . . . . . . . . . . . . A . 13 ARG H . . . . . . . . . rr_1du1 1
. 1 . 202 . 1 1 13 ARG HA H -5.211 3.379 4.216 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HA . . . . . . . . . rr_1du1 1
. 1 . 203 . 1 1 13 ARG HB2 H -4.215 1.280 5.066 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HB2 . . . . . . . . . rr_1du1 1
. 1 . 204 . 1 1 13 ARG HB3 H -5.903 1.033 4.623 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HB3 . . . . . . . . . rr_1du1 1
. 1 . 205 . 1 1 13 ARG HD2 H -4.067 -0.913 5.099 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HD2 . . . . . . . . . rr_1du1 1
. 1 . 206 . 1 1 13 ARG HD3 H -4.969 -1.863 3.900 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HD3 . . . . . . . . . rr_1du1 1
. 1 . 207 . 1 1 13 ARG HE H -2.141 -1.030 3.384 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HE . . . . . . . . . rr_1du1 1
. 1 . 208 . 1 1 13 ARG HG2 H -5.305 -0.040 2.575 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HG2 . . . . . . . . . rr_1du1 1
. 1 . 209 . 1 1 13 ARG HG3 H -3.621 0.459 2.726 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HG3 . . . . . . . . . rr_1du1 1
. 1 . 210 . 1 1 13 ARG HH11 H -4.689 -2.960 2.382 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH11 . . . . . . . . . rr_1du1 1
. 1 . 211 . 1 1 13 ARG HH12 H -3.758 -4.411 2.209 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH12 . . . . . . . . . rr_1du1 1
. 1 . 212 . 1 1 13 ARG HH21 H -0.913 -3.076 3.674 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH21 . . . . . . . . . rr_1du1 1
. 1 . 213 . 1 1 13 ARG HH22 H -1.621 -4.476 2.940 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH22 . . . . . . . . . rr_1du1 1
. 1 . 214 . 1 1 13 ARG N N -5.944 2.457 2.447 . . . 1.0 . . . . . . . . . . . . A . 13 ARG N . . . . . . . . . rr_1du1 1
. 1 . 215 . 1 1 13 ARG NE N -2.909 -1.633 3.468 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NE . . . . . . . . . rr_1du1 1
. 1 . 216 . 1 1 13 ARG NH1 N -3.833 -3.460 2.511 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NH1 . . . . . . . . . rr_1du1 1
. 1 . 217 . 1 1 13 ARG NH2 N -1.695 -3.526 3.243 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NH2 . . . . . . . . . rr_1du1 1
. 1 . 218 . 1 1 13 ARG O O -2.584 2.205 3.198 . . . 1.0 . . . . . . . . . . . . A . 13 ARG O . . . . . . . . . rr_1du1 1
. 1 . 219 . 1 1 14 ARG C C -1.121 4.628 2.552 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . rr_1du1 1
. 1 . 220 . 1 1 14 ARG CA C -2.146 4.240 1.483 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . rr_1du1 1
. 1 . 221 . 1 1 14 ARG CB C -2.441 5.427 0.566 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . rr_1du1 1
. 1 . 222 . 1 1 14 ARG CD C -0.271 5.228 -0.659 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . rr_1du1 1
. 1 . 223 . 1 1 14 ARG CG C -1.794 5.191 -0.801 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . rr_1du1 1
. 1 . 224 . 1 1 14 ARG CZ C 1.431 3.507 -0.742 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . rr_1du1 1
. 1 . 225 . 1 1 14 ARG H H -4.241 4.437 1.899 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . rr_1du1 1
. 1 . 226 . 1 1 14 ARG HA H -1.793 3.410 0.902 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . rr_1du1 1
. 1 . 227 . 1 1 14 ARG HB2 H -3.510 5.533 0.446 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB2 . . . . . . . . . rr_1du1 1
. 1 . 228 . 1 1 14 ARG HB3 H -2.036 6.328 1.002 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . rr_1du1 1
. 1 . 229 . 1 1 14 ARG HD2 H 0.164 5.831 -1.445 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD2 . . . . . . . . . rr_1du1 1
. 1 . 230 . 1 1 14 ARG HD3 H 0.008 5.612 0.310 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . rr_1du1 1
. 1 . 231 . 1 1 14 ARG HE H -0.506 3.103 -0.913 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . rr_1du1 1
. 1 . 232 . 1 1 14 ARG HG2 H -2.098 4.225 -1.180 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG2 . . . . . . . . . rr_1du1 1
. 1 . 233 . 1 1 14 ARG HG3 H -2.109 5.962 -1.487 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . rr_1du1 1
. 1 . 234 . 1 1 14 ARG HH11 H 2.028 5.219 -1.591 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . rr_1du1 1
. 1 . 235 . 1 1 14 ARG HH12 H 3.291 4.113 -1.165 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . rr_1du1 1
. 1 . 236 . 1 1 14 ARG HH21 H 1.130 1.725 0.119 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . rr_1du1 1
. 1 . 237 . 1 1 14 ARG HH22 H 2.783 2.136 -0.196 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . rr_1du1 1
. 1 . 238 . 1 1 14 ARG N N -3.453 3.904 2.109 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . rr_1du1 1
. 1 . 239 . 1 1 14 ARG NE N 0.162 3.809 -0.790 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . rr_1du1 1
. 1 . 240 . 1 1 14 ARG NH1 N 2.319 4.345 -1.202 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . rr_1du1 1
. 1 . 241 . 1 1 14 ARG NH2 N 1.811 2.367 -0.233 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . rr_1du1 1
. 1 . 242 . 1 1 14 ARG O O -0.619 5.734 2.571 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . rr_1du1 1
. 1 . 243 . 1 1 15 LYS C C -0.202 5.349 5.213 . . . 1.0 . . . . . . . . . . . . A . 15 LYS C . . . . . . . . . rr_1du1 1
. 1 . 244 . 1 1 15 LYS CA C 0.181 4.046 4.511 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CA . . . . . . . . . rr_1du1 1
. 1 . 245 . 1 1 15 LYS CB C 1.518 4.200 3.787 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CB . . . . . . . . . rr_1du1 1
. 1 . 246 . 1 1 15 LYS CD C 3.346 2.646 4.484 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CD . . . . . . . . . rr_1du1 1
. 1 . 247 . 1 1 15 LYS CE C 2.625 1.521 5.229 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CE . . . . . . . . . rr_1du1 1
. 1 . 248 . 1 1 15 LYS CG C 2.658 3.980 4.782 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CG . . . . . . . . . rr_1du1 1
. 1 . 249 . 1 1 15 LYS H H -1.227 2.843 3.414 . . . 1.0 . . . . . . . . . . . . A . 15 LYS H . . . . . . . . . rr_1du1 1
. 1 . 250 . 1 1 15 LYS HA H 0.239 3.238 5.222 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HA . . . . . . . . . rr_1du1 1
. 1 . 251 . 1 1 15 LYS HB2 H 1.584 3.470 2.993 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HB2 . . . . . . . . . rr_1du1 1
. 1 . 252 . 1 1 15 LYS HB3 H 1.591 5.193 3.371 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HB3 . . . . . . . . . rr_1du1 1
. 1 . 253 . 1 1 15 LYS HD2 H 3.314 2.455 3.421 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HD2 . . . . . . . . . rr_1du1 1
. 1 . 254 . 1 1 15 LYS HD3 H 4.374 2.691 4.811 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HD3 . . . . . . . . . rr_1du1 1
. 1 . 255 . 1 1 15 LYS HE2 H 1.554 1.643 5.146 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HE2 . . . . . . . . . rr_1du1 1
. 1 . 256 . 1 1 15 LYS HE3 H 2.926 0.560 4.842 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HE3 . . . . . . . . . rr_1du1 1
. 1 . 257 . 1 1 15 LYS HG2 H 3.373 4.784 4.693 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HG2 . . . . . . . . . rr_1du1 1
. 1 . 258 . 1 1 15 LYS HG3 H 2.259 3.961 5.785 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HG3 . . . . . . . . . rr_1du1 1
. 1 . 259 . 1 1 15 LYS HZ1 H 3.080 0.722 7.096 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HZ1 . . . . . . . . . rr_1du1 1
. 1 . 260 . 1 1 15 LYS HZ2 H 2.390 2.274 7.155 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HZ2 . . . . . . . . . rr_1du1 1
. 1 . 261 . 1 1 15 LYS HZ3 H 4.009 2.079 6.680 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HZ3 . . . . . . . . . rr_1du1 1
. 1 . 262 . 1 1 15 LYS N N -0.808 3.728 3.444 . . . 1.0 . . . . . . . . . . . . A . 15 LYS N . . . . . . . . . rr_1du1 1
. 1 . 263 . 1 1 15 LYS NZ N 3.059 1.659 6.647 . . . 1.0 . . . . . . . . . . . . A . 15 LYS NZ . . . . . . . . . rr_1du1 1
. 1 . 264 . 1 1 15 LYS O O 0.170 6.427 4.793 . . . 1.0 . . . . . . . . . . . . A . 15 LYS O . . . . . . . . . rr_1du1 1
. 1 . 265 . 1 1 16 MET C C -0.144 7.392 7.246 . . . 1.0 . . . . . . . . . . . . A . 16 MET C . . . . . . . . . rr_1du1 1
. 1 . 266 . 1 1 16 MET CA C -1.356 6.486 7.013 . . . 1.0 . . . . . . . . . . . . A . 16 MET CA . . . . . . . . . rr_1du1 1
. 1 . 267 . 1 1 16 MET CB C -1.916 5.985 8.345 . . . 1.0 . . . . . . . . . . . . A . 16 MET CB . . . . . . . . . rr_1du1 1
. 1 . 268 . 1 1 16 MET CE C -4.714 7.930 6.731 . . . 1.0 . . . . . . . . . . . . A . 16 MET CE . . . . . . . . . rr_1du1 1
. 1 . 269 . 1 1 16 MET CG C -3.432 6.185 8.369 . . . 1.0 . . . . . . . . . . . . A . 16 MET CG . . . . . . . . . rr_1du1 1
. 1 . 270 . 1 1 16 MET H H -1.232 4.374 6.597 . . . 1.0 . . . . . . . . . . . . A . 16 MET H . . . . . . . . . rr_1du1 1
. 1 . 271 . 1 1 16 MET HA H -2.122 7.012 6.466 . . . 1.0 . . . . . . . . . . . . A . 16 MET HA . . . . . . . . . rr_1du1 1
. 1 . 272 . 1 1 16 MET HB2 H -1.688 4.934 8.458 . . . 1.0 . . . . . . . . . . . . A . 16 MET HB2 . . . . . . . . . rr_1du1 1
. 1 . 273 . 1 1 16 MET HB3 H -1.468 6.540 9.155 . . . 1.0 . . . . . . . . . . . . A . 16 MET HB3 . . . . . . . . . rr_1du1 1
. 1 . 274 . 1 1 16 MET HE1 H -5.712 8.317 6.888 . . . 1.0 . . . . . . . . . . . . A . 16 MET HE1 . . . . . . . . . rr_1du1 1
. 1 . 275 . 1 1 16 MET HE2 H -4.778 6.918 6.365 . . . 1.0 . . . . . . . . . . . . A . 16 MET HE2 . . . . . . . . . rr_1du1 1
. 1 . 276 . 1 1 16 MET HE3 H -4.194 8.540 6.006 . . . 1.0 . . . . . . . . . . . . A . 16 MET HE3 . . . . . . . . . rr_1du1 1
. 1 . 277 . 1 1 16 MET HG2 H -3.874 5.688 7.518 . . . 1.0 . . . . . . . . . . . . A . 16 MET HG2 . . . . . . . . . rr_1du1 1
. 1 . 278 . 1 1 16 MET HG3 H -3.836 5.768 9.279 . . . 1.0 . . . . . . . . . . . . A . 16 MET HG3 . . . . . . . . . rr_1du1 1
. 1 . 279 . 1 1 16 MET N N -0.944 5.255 6.279 . . . 1.0 . . . . . . . . . . . . A . 16 MET N . . . . . . . . . rr_1du1 1
. 1 . 280 . 1 1 16 MET O O 0.969 7.060 6.890 . . . 1.0 . . . . . . . . . . . . A . 16 MET O . . . . . . . . . rr_1du1 1
. 1 . 281 . 1 1 16 MET SD S -3.809 7.953 8.298 . . . 1.0 . . . . . . . . . . . . A . 16 MET SD . . . . . . . . . rr_1du1 1
. 1 . 282 . 1 1 17 SER C C 1.554 9.018 9.346 . . . 1.0 . . . . . . . . . . . . A . 17 SER C . . . . . . . . . rr_1du1 1
. 1 . 283 . 1 1 17 SER CA C 0.788 9.459 8.098 . . . 1.0 . . . . . . . . . . . . A . 17 SER CA . . . . . . . . . rr_1du1 1
. 1 . 284 . 1 1 17 SER CB C 0.145 10.828 8.317 . . . 1.0 . . . . . . . . . . . . A . 17 SER CB . . . . . . . . . rr_1du1 1
. 1 . 285 . 1 1 17 SER H H -1.257 8.782 8.122 . . . 1.0 . . . . . . . . . . . . A . 17 SER H . . . . . . . . . rr_1du1 1
. 1 . 286 . 1 1 17 SER HA H 1.445 9.493 7.244 . . . 1.0 . . . . . . . . . . . . A . 17 SER HA . . . . . . . . . rr_1du1 1
. 1 . 287 . 1 1 17 SER HB2 H -0.447 11.092 7.458 . . . 1.0 . . . . . . . . . . . . A . 17 SER HB2 . . . . . . . . . rr_1du1 1
. 1 . 288 . 1 1 17 SER HB3 H -0.490 10.790 9.192 . . . 1.0 . . . . . . . . . . . . A . 17 SER HB3 . . . . . . . . . rr_1du1 1
. 1 . 289 . 1 1 17 SER HG H 1.015 12.510 7.870 . . . 1.0 . . . . . . . . . . . . A . 17 SER HG . . . . . . . . . rr_1du1 1
. 1 . 290 . 1 1 17 SER N N -0.352 8.534 7.842 . . . 1.0 . . . . . . . . . . . . A . 17 SER N . . . . . . . . . rr_1du1 1
. 1 . 291 . 1 1 17 SER O O 1.747 9.781 10.271 . . . 1.0 . . . . . . . . . . . . A . 17 SER O . . . . . . . . . rr_1du1 1
. 1 . 292 . 1 1 17 SER OG O 1.166 11.802 8.499 . . . 1.0 . . . . . . . . . . . . A . 17 SER OG . . . . . . . . . rr_1du1 1
. 1 . 293 . 1 1 18 ARG C C 3.819 6.299 10.104 . . . 1.0 . . . . . . . . . . . . A . 18 ARG C . . . . . . . . . rr_1du1 1
. 1 . 294 . 1 1 18 ARG CA C 2.749 7.297 10.551 . . . 1.0 . . . . . . . . . . . . A . 18 ARG CA . . . . . . . . . rr_1du1 1
. 1 . 295 . 1 1 18 ARG CB C 1.708 6.609 11.437 . . . 1.0 . . . . . . . . . . . . A . 18 ARG CB . . . . . . . . . rr_1du1 1
. 1 . 296 . 1 1 18 ARG CD C 1.544 8.249 13.316 . . . 1.0 . . . . . . . . . . . . A . 18 ARG CD . . . . . . . . . rr_1du1 1
. 1 . 297 . 1 1 18 ARG CG C 0.820 7.662 12.102 . . . 1.0 . . . . . . . . . . . . A . 18 ARG CG . . . . . . . . . rr_1du1 1
. 1 . 298 . 1 1 18 ARG CZ C 1.775 10.657 13.423 . . . 1.0 . . . . . . . . . . . . A . 18 ARG CZ . . . . . . . . . rr_1du1 1
. 1 . 299 . 1 1 18 ARG H H 1.837 7.198 8.627 . . . 1.0 . . . . . . . . . . . . A . 18 ARG H . . . . . . . . . rr_1du1 1
. 1 . 300 . 1 1 18 ARG HA H 3.192 8.118 11.071 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HA . . . . . . . . . rr_1du1 1
. 1 . 301 . 1 1 18 ARG HB2 H 1.098 5.954 10.831 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HB2 . . . . . . . . . rr_1du1 1
. 1 . 302 . 1 1 18 ARG HB3 H 2.209 6.031 12.198 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HB3 . . . . . . . . . rr_1du1 1
. 1 . 303 . 1 1 18 ARG HD2 H 1.341 7.654 14.196 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HD2 . . . . . . . . . rr_1du1 1
. 1 . 304 . 1 1 18 ARG HD3 H 2.606 8.302 13.132 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HD3 . . . . . . . . . rr_1du1 1
. 1 . 305 . 1 1 18 ARG HE H 0.022 9.743 13.611 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HE . . . . . . . . . rr_1du1 1
. 1 . 306 . 1 1 18 ARG HG2 H 0.604 8.450 11.395 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HG2 . . . . . . . . . rr_1du1 1
. 1 . 307 . 1 1 18 ARG HG3 H -0.103 7.204 12.424 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HG3 . . . . . . . . . rr_1du1 1
. 1 . 308 . 1 1 18 ARG HH11 H 2.843 9.962 11.879 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HH11 . . . . . . . . . rr_1du1 1
. 1 . 309 . 1 1 18 ARG HH12 H 3.328 11.508 12.490 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HH12 . . . . . . . . . rr_1du1 1
. 1 . 310 . 1 1 18 ARG HH21 H 0.892 11.594 14.956 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HH21 . . . . . . . . . rr_1du1 1
. 1 . 311 . 1 1 18 ARG HH22 H 2.224 12.432 14.232 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HH22 . . . . . . . . . rr_1du1 1
. 1 . 312 . 1 1 18 ARG N N 1.996 7.791 9.377 . . . 1.0 . . . . . . . . . . . . A . 18 ARG N . . . . . . . . . rr_1du1 1
. 1 . 313 . 1 1 18 ARG NE N 0.984 9.620 13.471 . . . 1.0 . . . . . . . . . . . . A . 18 ARG NE . . . . . . . . . rr_1du1 1
. 1 . 314 . 1 1 18 ARG NH1 N 2.723 10.713 12.527 . . . 1.0 . . . . . . . . . . . . A . 18 ARG NH1 . . . . . . . . . rr_1du1 1
. 1 . 315 . 1 1 18 ARG NH2 N 1.618 11.637 14.270 . . . 1.0 . . . . . . . . . . . . A . 18 ARG NH2 . . . . . . . . . rr_1du1 1
. 1 . 316 . 1 1 18 ARG O O 3.564 5.119 9.974 . . . 1.0 . . . . . . . . . . . . A . 18 ARG O . . . . . . . . . rr_1du1 1
. 1 . 317 . 1 1 19 GLY C C 6.447 4.881 10.559 . . . 1.0 . . . . . . . . . . . . A . 19 GLY C . . . . . . . . . rr_1du1 1
. 1 . 318 . 1 1 19 GLY CA C 6.097 5.841 9.421 . . . 1.0 . . . . . . . . . . . . A . 19 GLY CA . . . . . . . . . rr_1du1 1
. 1 . 319 . 1 1 19 GLY H H 5.199 7.721 9.971 . . . 1.0 . . . . . . . . . . . . A . 19 GLY H . . . . . . . . . rr_1du1 1
. 1 . 320 . 1 1 19 GLY HA2 H 5.761 5.277 8.563 . . . 1.0 . . . . . . . . . . . . A . 19 GLY HA2 . . . . . . . . . rr_1du1 1
. 1 . 321 . 1 1 19 GLY HA3 H 6.973 6.413 9.156 . . . 1.0 . . . . . . . . . . . . A . 19 GLY HA3 . . . . . . . . . rr_1du1 1
. 1 . 322 . 1 1 19 GLY N N 5.014 6.764 9.863 . . . 1.0 . . . . . . . . . . . . A . 19 GLY N . . . . . . . . . rr_1du1 1
. 1 . 323 . 1 1 19 GLY O O 7.578 4.811 10.999 . . . 1.0 . . . . . . . . . . . . A . 19 GLY O . . . . . . . . . rr_1du1 1
. 1 . 324 . 1 1 20 LEU C C 6.303 1.865 11.593 . . . 1.0 . . . . . . . . . . . . A . 20 LEU C . . . . . . . . . rr_1du1 1
. 1 . 325 . 1 1 20 LEU CA C 5.768 3.187 12.153 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CA . . . . . . . . . rr_1du1 1
. 1 . 326 . 1 1 20 LEU CB C 4.420 2.984 12.854 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CB . . . . . . . . . rr_1du1 1
. 1 . 327 . 1 1 20 LEU CD1 C 2.409 1.513 13.056 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD1 . . . . . . . . . rr_1du1 1
. 1 . 328 . 1 1 20 LEU CD2 C 3.449 1.904 10.819 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD2 . . . . . . . . . rr_1du1 1
. 1 . 329 . 1 1 20 LEU CG C 3.729 1.729 12.313 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CG . . . . . . . . . rr_1du1 1
. 1 . 330 . 1 1 20 LEU H H 4.580 4.213 10.673 . . . 1.0 . . . . . . . . . . . . A . 20 LEU H . . . . . . . . . rr_1du1 1
. 1 . 331 . 1 1 20 LEU HA H 6.478 3.616 12.842 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HA . . . . . . . . . rr_1du1 1
. 1 . 332 . 1 1 20 LEU HB2 H 4.583 2.874 13.916 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB2 . . . . . . . . . rr_1du1 1
. 1 . 333 . 1 1 20 LEU HB3 H 3.791 3.843 12.675 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB3 . . . . . . . . . rr_1du1 1
. 1 . 334 . 1 1 20 LEU HD11 H 2.350 2.196 13.890 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD11 . . . . . . . . . rr_1du1 1
. 1 . 335 . 1 1 20 LEU HD12 H 2.363 0.497 13.419 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD12 . . . . . . . . . rr_1du1 1
. 1 . 336 . 1 1 20 LEU HD13 H 1.584 1.694 12.383 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD13 . . . . . . . . . rr_1du1 1
. 1 . 337 . 1 1 20 LEU HD21 H 4.283 2.407 10.353 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD21 . . . . . . . . . rr_1du1 1
. 1 . 338 . 1 1 20 LEU HD22 H 2.553 2.494 10.688 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD22 . . . . . . . . . rr_1du1 1
. 1 . 339 . 1 1 20 LEU HD23 H 3.312 0.935 10.363 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD23 . . . . . . . . . rr_1du1 1
. 1 . 340 . 1 1 20 LEU HG H 4.370 0.873 12.464 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HG . . . . . . . . . rr_1du1 1
. 1 . 341 . 1 1 20 LEU N N 5.486 4.141 11.041 . . . 1.0 . . . . . . . . . . . . A . 20 LEU N . . . . . . . . . rr_1du1 1
. 1 . 342 . 1 1 20 LEU O O 6.745 1.046 12.382 . . . 1.0 . . . . . . . . . . . . A . 20 LEU O . . . . . . . . . rr_1du1 1
. 1 . 343 . 1 1 20 LEU OXT O 6.260 1.695 10.386 . . . 1.0 . . . . . . . . . . . . A . 20 LEU OXT . . . . . . . . . rr_1du1 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_1du1
_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 1du1.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_1du1 1
1 1du1.mr . . XPLOR/CNS 2 distance NOE ambi 212 rr_1du1 1
1 1du1.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 6 rr_1du1 1
1 1du1.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1du1 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_1du1
_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: '1du1'" . . . . distance "general distance" . 212 rr_1du1 1
2 "From CCPN project: '1du1'" . . . . distance "hydrogen bond" . 6 rr_1du1 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 1du1.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_1du1 1
1 1du1.mr . . XPLOR/CNS 2 distance NOE ambi 212 rr_1du1 1
1 1du1.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 6 rr_1du1 1
1 1du1.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1du1 1
stop_
save_
save_CNS/XPLOR_distance_constraints_2
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_2
_Gen_dist_constraint_list.Entry_ID rr_1du1
_Gen_dist_constraint_list.ID 1
_Gen_dist_constraint_list.Constraint_type NOE
_Gen_dist_constraint_list.Details "Generated by Wattos"
_Gen_dist_constraint_list.Constraint_file_ID 1
_Gen_dist_constraint_list.Block_ID 2
loop_
_Gen_dist_constraint_software.Software_ID
_Gen_dist_constraint_software.Software_label
_Gen_dist_constraint_software.Method_ID
_Gen_dist_constraint_software.Method_label
_Gen_dist_constraint_software.Entry_ID
_Gen_dist_constraint_software.Gen_dist_constraint_list_ID
. . . . rr_1du1 1
stop_
loop_
_Gen_dist_constraint.ID
_Gen_dist_constraint.Member_ID
_Gen_dist_constraint.Member_logic_code
_Gen_dist_constraint.Assembly_atom_ID_1
_Gen_dist_constraint.Entity_assembly_ID_1
_Gen_dist_constraint.Entity_ID_1
_Gen_dist_constraint.Comp_index_ID_1
_Gen_dist_constraint.Seq_ID_1
_Gen_dist_constraint.Comp_ID_1
_Gen_dist_constraint.Atom_ID_1
_Gen_dist_constraint.Atom_type_1
_Gen_dist_constraint.Atom_isotope_number_1
_Gen_dist_constraint.Resonance_ID_1
_Gen_dist_constraint.Assembly_atom_ID_2
_Gen_dist_constraint.Entity_assembly_ID_2
_Gen_dist_constraint.Entity_ID_2
_Gen_dist_constraint.Comp_index_ID_2
_Gen_dist_constraint.Seq_ID_2
_Gen_dist_constraint.Comp_ID_2
_Gen_dist_constraint.Atom_ID_2
_Gen_dist_constraint.Atom_type_2
_Gen_dist_constraint.Atom_isotope_number_2
_Gen_dist_constraint.Resonance_ID_2
_Gen_dist_constraint.Intensity_val
_Gen_dist_constraint.Intensity_lower_val_err
_Gen_dist_constraint.Intensity_upper_val_err
_Gen_dist_constraint.Distance_val
_Gen_dist_constraint.Distance_lower_bound_val
_Gen_dist_constraint.Distance_upper_bound_val
_Gen_dist_constraint.Contribution_fractional_val
_Gen_dist_constraint.Spectral_peak_ID
_Gen_dist_constraint.Spectral_peak_list_ID
_Gen_dist_constraint.PDB_record_ID_1
_Gen_dist_constraint.PDB_model_num_1
_Gen_dist_constraint.PDB_strand_ID_1
_Gen_dist_constraint.PDB_ins_code_1
_Gen_dist_constraint.PDB_residue_no_1
_Gen_dist_constraint.PDB_residue_name_1
_Gen_dist_constraint.PDB_atom_name_1
_Gen_dist_constraint.PDB_record_ID_2
_Gen_dist_constraint.PDB_model_num_2
_Gen_dist_constraint.PDB_strand_ID_2
_Gen_dist_constraint.PDB_ins_code_2
_Gen_dist_constraint.PDB_residue_no_2
_Gen_dist_constraint.PDB_residue_name_2
_Gen_dist_constraint.PDB_atom_name_2
_Gen_dist_constraint.Auth_entity_assembly_ID_1
_Gen_dist_constraint.Auth_asym_ID_1
_Gen_dist_constraint.Auth_chain_ID_1
_Gen_dist_constraint.Auth_seq_ID_1
_Gen_dist_constraint.Auth_comp_ID_1
_Gen_dist_constraint.Auth_atom_ID_1
_Gen_dist_constraint.Auth_alt_ID_1
_Gen_dist_constraint.Auth_atom_name_1
_Gen_dist_constraint.Auth_entity_assembly_ID_2
_Gen_dist_constraint.Auth_asym_ID_2
_Gen_dist_constraint.Auth_chain_ID_2
_Gen_dist_constraint.Auth_seq_ID_2
_Gen_dist_constraint.Auth_comp_ID_2
_Gen_dist_constraint.Auth_atom_ID_2
_Gen_dist_constraint.Auth_alt_ID_2
_Gen_dist_constraint.Auth_atom_name_2
_Gen_dist_constraint.Entry_ID
_Gen_dist_constraint.Gen_dist_constraint_list_ID
1 1 . . 1 1 1 1 THR H1 H . . . 1 1 2 2 SER H H . . . . . 3.8 1.9 4.5 . . . . . A . 1 THR H1 . . A . 2 SER H . . . 1 . HT# . . . . . 2 . HN . . rr_1du1 1
2 1 . . 1 1 1 1 THR H1 H . . . 1 1 1 1 THR HA H . . . . . 2.4 1.9 2.7 . . . . . A . 1 THR H1 . . A . 1 THR HA . . . 1 . HT# . . . . . 1 . HA . . rr_1du1 1
3 1 . . 1 1 1 1 THR H1 H . . . 1 1 1 1 THR MG H . . . . . 2.4 1.9 2.7 . . . . . A . 1 THR H1 . . A . 1 THR MG . . . 1 . HT# . . . . . 1 . HG2# . . rr_1du1 1
4 1 . . 1 1 1 1 THR H1 H . . . 1 1 1 1 THR HB H . . . . . 3.8 1.9 4.5 . . . . . A . 1 THR H1 . . A . 1 THR HB . . . 1 . HT# . . . . . 1 . HB . . rr_1du1 1
5 1 OR . 1 1 1 1 THR H1 H . . . 1 1 4 4 GLN HB2 H . . . . . 3.8 1.9 4.5 . . . . . A . 1 THR H1 . . A . 4 GLN HB2 . . . 1 . HT# . . . . . 4 . HB# . . rr_1du1 1
5 2 OR . 1 1 1 1 THR H1 H . . . 1 1 4 4 GLN HB3 H . . . . . 3.8 1.9 4.5 . . . . . A . 1 THR H1 . . A . 4 GLN HB3 . . . 1 . HT# . . . . . 4 . HB# . . rr_1du1 1
6 1 OR . 1 1 1 1 THR H1 H . . . 1 1 4 4 GLN HG2 H . . . . . 5.0 1.9 5.8 . . . . . A . 1 THR H1 . . A . 4 GLN HG2 . . . 1 . HT# . . . . . 4 . HG# . . rr_1du1 1
6 2 OR . 1 1 1 1 THR H1 H . . . 1 1 4 4 GLN HG3 H . . . . . 5.0 1.9 5.8 . . . . . A . 1 THR H1 . . A . 4 GLN HG3 . . . 1 . HT# . . . . . 4 . HG# . . rr_1du1 1
7 1 . . 1 1 1 1 THR HA H . . . 1 1 1 1 THR HB H . . . . . 2.4 1.9 2.7 . . . . . A . 1 THR HA . . A . 1 THR HB . . . 1 . HA . . . . . 1 . HB . . rr_1du1 1
8 1 . . 1 1 1 1 THR HA H . . . 1 1 1 1 THR MG H . . . . . 2.8 1.9 3.5 . . . . . A . 1 THR HA . . A . 1 THR MG . . . 1 . HA . . . . . 1 . HG2# . . rr_1du1 1
9 1 OR . 1 1 1 1 THR HA H . . . 1 1 4 4 GLN HB2 H . . . . . 5.0 1.9 5.8 . . . . . A . 1 THR HA . . A . 4 GLN HB2 . . . 1 . HA . . . . . 4 . HB# . . rr_1du1 1
9 2 OR . 1 1 1 1 THR HA H . . . 1 1 4 4 GLN HB3 H . . . . . 5.0 1.9 5.8 . . . . . A . 1 THR HA . . A . 4 GLN HB3 . . . 1 . HA . . . . . 4 . HB# . . rr_1du1 1
10 1 . . 1 1 1 1 THR MG H . . . 1 1 1 1 THR HB H . . . . . 2.4 1.9 2.7 . . . . . A . 1 THR HB . . A . 1 THR MG . . . 1 . HB . . . . . 1 . HG2# . . rr_1du1 1
11 1 . . 1 1 1 1 THR HA H . . . 1 1 1 1 THR HB H . . . . . 2.4 1.9 2.7 . . . . . A . 1 THR HB . . A . 1 THR HA . . . 1 . HB . . . . . 1 . HA . . rr_1du1 1
12 1 OR . 1 1 1 1 THR MG H . . . 1 1 4 4 GLN HE22 H . . . . . 5.0 1.9 5.8 . . . . . A . 1 THR MG . . A . 4 GLN HE22 . . . 1 . HG2# . . . . . 4 . HE2# . . rr_1du1 1
12 2 OR . 1 1 1 1 THR MG H . . . 1 1 4 4 GLN HE21 H . . . . . 5.0 1.9 5.8 . . . . . A . 1 THR MG . . A . 4 GLN HE21 . . . 1 . HG2# . . . . . 4 . HE2# . . rr_1du1 1
13 1 . . 1 1 2 2 SER H H . . . 1 1 3 3 ALA H H . . . . . 2.8 1.9 3.5 . . . . . A . 2 SER H . . A . 3 ALA H . . . 2 . HN . . . . . 3 . HN . . rr_1du1 1
14 1 . . 1 1 2 2 SER H H . . . 1 1 4 4 GLN H H . . . . . 5.0 1.9 5.8 . . . . . A . 2 SER H . . A . 4 GLN H . . . 2 . HN . . . . . 4 . HN . . rr_1du1 1
15 1 . . 1 1 2 2 SER H H . . . 1 1 2 2 SER HA H . . . . . 2.8 1.9 3.5 . . . . . A . 2 SER H . . A . 2 SER HA . . . 2 . HN . . . . . 2 . HA . . rr_1du1 1
16 1 OR . 1 1 2 2 SER H H . . . 1 1 2 2 SER HB2 H . . . . . 2.8 1.9 3.5 . . . . . A . 2 SER H . . A . 2 SER HB2 . . . 2 . HN . . . . . 2 . HB# . . rr_1du1 1
16 2 OR . 1 1 2 2 SER H H . . . 1 1 2 2 SER HB3 H . . . . . 2.8 1.9 3.5 . . . . . A . 2 SER H . . A . 2 SER HB3 . . . 2 . HN . . . . . 2 . HB# . . rr_1du1 1
17 1 . . 1 1 2 2 SER H H . . . 1 1 1 1 THR HB H . . . . . 2.4 1.9 2.7 . . . . . A . 2 SER H . . A . 1 THR HB . . . 2 . HN . . . . . 1 . HB . . rr_1du1 1
18 1 . . 1 1 2 2 SER H H . . . 1 1 1 1 THR HA H . . . . . 2.4 1.9 2.7 . . . . . A . 2 SER H . . A . 1 THR HA . . . 2 . HN . . . . . 1 . HA . . rr_1du1 1
19 1 . . 1 1 2 2 SER H H . . . 1 1 3 3 ALA MB H . . . . . 5.0 1.9 5.8 . . . . . A . 2 SER H . . A . 3 ALA MB . . . 2 . HN . . . . . 3 . HB# . . rr_1du1 1
20 1 . . 1 1 2 2 SER H H . . . 1 1 1 1 THR MG H . . . . . 5.0 1.9 5.8 . . . . . A . 2 SER H . . A . 1 THR MG . . . 2 . HN . . . . . 1 . HG2# . . rr_1du1 1
21 1 OR . 1 1 2 2 SER H H . . . 1 1 5 5 LYS HB2 H . . . . . 5.0 1.9 5.8 . . . . . A . 2 SER H . . A . 5 LYS HB2 . . . 2 . HN . . . . . 5 . HB# . . rr_1du1 1
21 2 OR . 1 1 2 2 SER H H . . . 1 1 5 5 LYS HB3 H . . . . . 5.0 1.9 5.8 . . . . . A . 2 SER H . . A . 5 LYS HB3 . . . 2 . HN . . . . . 5 . HB# . . rr_1du1 1
22 1 OR . 1 1 2 2 SER HA H . . . 1 1 2 2 SER HB2 H . . . . . 2.8 1.9 3.5 . . . . . A . 2 SER HA . . A . 2 SER HB2 . . . 2 . HA . . . . . 2 . HB# . . rr_1du1 1
22 2 OR . 1 1 2 2 SER HA H . . . 1 1 2 2 SER HB3 H . . . . . 2.8 1.9 3.5 . . . . . A . 2 SER HA . . A . 2 SER HB3 . . . 2 . HA . . . . . 2 . HB# . . rr_1du1 1
23 1 OR . 1 1 2 2 SER HA H . . . 1 1 5 5 LYS HB2 H . . . . . 5.0 1.9 5.8 . . . . . A . 2 SER HA . . A . 5 LYS HB2 . . . 2 . HA . . . . . 5 . HB# . . rr_1du1 1
23 2 OR . 1 1 2 2 SER HA H . . . 1 1 5 5 LYS HB3 H . . . . . 5.0 1.9 5.8 . . . . . A . 2 SER HA . . A . 5 LYS HB3 . . . 2 . HA . . . . . 5 . HB# . . rr_1du1 1
24 1 OR . 1 1 3 3 ALA H H . . . 1 1 2 2 SER HB2 H . . . . . 3.8 1.9 4.5 . . . . . A . 2 SER HB2 . . A . 3 ALA H . . . 2 . HB# . . . . . 3 . HN . . rr_1du1 1
24 2 OR . 1 1 3 3 ALA H H . . . 1 1 2 2 SER HB3 H . . . . . 3.8 1.9 4.5 . . . . . A . 2 SER HB3 . . A . 3 ALA H . . . 2 . HB# . . . . . 3 . HN . . rr_1du1 1
25 1 . . 1 1 3 3 ALA H H . . . 1 1 4 4 GLN H H . . . . . 2.4 1.9 2.7 . . . . . A . 3 ALA H . . A . 4 GLN H . . . 3 . HN . . . . . 4 . HN . . rr_1du1 1
26 1 . . 1 1 3 3 ALA H H . . . 1 1 5 5 LYS H H . . . . . 5.0 1.9 5.8 . . . . . A . 3 ALA H . . A . 5 LYS H . . . 3 . HN . . . . . 5 . HN . . rr_1du1 1
27 1 . . 1 1 3 3 ALA H H . . . 1 1 3 3 ALA HA H . . . . . 2.4 1.9 2.7 . . . . . A . 3 ALA H . . A . 3 ALA HA . . . 3 . HN . . . . . 3 . HA . . rr_1du1 1
28 1 . . 1 1 3 3 ALA H H . . . 1 1 3 3 ALA MB H . . . . . 2.4 1.9 2.7 . . . . . A . 3 ALA H . . A . 3 ALA MB . . . 3 . HN . . . . . 3 . HB# . . rr_1du1 1
29 1 . . 1 1 1 1 THR MG H . . . 1 1 3 3 ALA H H . . . . . 5.0 1.9 5.8 . . . . . A . 3 ALA H . . A . 1 THR MG . . . 3 . HN . . . . . 1 . HG2# . . rr_1du1 1
30 1 . . 1 1 4 4 GLN H H . . . 1 1 3 3 ALA HA H . . . . . 2.8 1.9 3.5 . . . . . A . 3 ALA HA . . A . 4 GLN H . . . 3 . HA . . . . . 4 . HN . . rr_1du1 1
31 1 . . 1 1 3 3 ALA HA H . . . 1 1 6 6 ALA H H . . . . . 3.8 1.9 4.5 . . . . . A . 3 ALA HA . . A . 6 ALA H . . . 3 . HA . . . . . 6 . HN . . rr_1du1 1
32 1 . . 1 1 3 3 ALA H H . . . 1 1 3 3 ALA HA H . . . . . 2.8 1.9 3.5 . . . . . A . 3 ALA HA . . A . 3 ALA H . . . 3 . HA . . . . . 3 . HN . . rr_1du1 1
33 1 . . 1 1 3 3 ALA MB H . . . 1 1 3 3 ALA HA H . . . . . 2.4 1.9 2.7 . . . . . A . 3 ALA HA . . A . 3 ALA MB . . . 3 . HA . . . . . 3 . HB# . . rr_1du1 1
34 1 . . 1 1 3 3 ALA HA H . . . 1 1 6 6 ALA MB H . . . . . 3.8 1.9 4.5 . . . . . A . 3 ALA HA . . A . 6 ALA MB . . . 3 . HA . . . . . 6 . HB# . . rr_1du1 1
35 1 . . 1 1 3 3 ALA H H . . . 1 1 3 3 ALA MB H . . . . . 2.4 1.9 2.7 . . . . . A . 3 ALA MB . . A . 3 ALA H . . . 3 . HB# . . . . . 3 . HN . . rr_1du1 1
36 1 . . 1 1 4 4 GLN H H . . . 1 1 5 5 LYS H H . . . . . 2.4 1.9 2.7 . . . . . A . 4 GLN H . . A . 5 LYS H . . . 4 . HN . . . . . 5 . HN . . rr_1du1 1
37 1 . . 1 1 4 4 GLN H H . . . 1 1 6 6 ALA H H . . . . . 5.0 1.9 5.8 . . . . . A . 4 GLN H . . A . 6 ALA H . . . 4 . HN . . . . . 6 . HN . . rr_1du1 1
38 1 . . 1 1 4 4 GLN H H . . . 1 1 4 4 GLN HA H . . . . . 2.4 1.9 2.7 . . . . . A . 4 GLN H . . A . 4 GLN HA . . . 4 . HN . . . . . 4 . HA . . rr_1du1 1
39 1 OR . 1 1 4 4 GLN H H . . . 1 1 4 4 GLN HB2 H . . . . . 5.0 1.9 5.8 . . . . . A . 4 GLN H . . A . 4 GLN HB2 . . . 4 . HN . . . . . 4 . HB# . . rr_1du1 1
39 2 OR . 1 1 4 4 GLN HB3 H . . . 1 1 4 4 GLN H H . . . . . 5.0 1.9 5.8 . . . . . A . 4 GLN H . . A . 4 GLN HB3 . . . 4 . HN . . . . . 4 . HB# . . rr_1du1 1
40 1 OR . 1 1 4 4 GLN H H . . . 1 1 4 4 GLN HG2 H . . . . . 2.8 1.9 3.5 . . . . . A . 4 GLN H . . A . 4 GLN HG2 . . . 4 . HN . . . . . 4 . HG# . . rr_1du1 1
40 2 OR . 1 1 4 4 GLN HG3 H . . . 1 1 4 4 GLN H H . . . . . 2.8 1.9 3.5 . . . . . A . 4 GLN H . . A . 4 GLN HG3 . . . 4 . HN . . . . . 4 . HG# . . rr_1du1 1
41 1 OR . 1 1 4 4 GLN H H . . . 1 1 2 2 SER HB2 H . . . . . 5.0 1.9 5.8 . . . . . A . 4 GLN H . . A . 2 SER HB2 . . . 4 . HN . . . . . 2 . HB# . . rr_1du1 1
41 2 OR . 1 1 4 4 GLN H H . . . 1 1 2 2 SER HB3 H . . . . . 5.0 1.9 5.8 . . . . . A . 4 GLN H . . A . 2 SER HB3 . . . 4 . HN . . . . . 2 . HB# . . rr_1du1 1
42 1 . . 1 1 1 1 THR HB H . . . 1 1 4 4 GLN H H . . . . . 5.0 1.9 5.8 . . . . . A . 4 GLN H . . A . 1 THR HB . . . 4 . HN . . . . . 1 . HB . . rr_1du1 1
43 1 . . 1 1 1 1 THR HA H . . . 1 1 4 4 GLN H H . . . . . 5.0 1.9 5.8 . . . . . A . 4 GLN H . . A . 1 THR HA . . . 4 . HN . . . . . 1 . HA . . rr_1du1 1
44 1 . . 1 1 4 4 GLN H H . . . 1 1 3 3 ALA MB H . . . . . 2.8 1.9 3.5 . . . . . A . 4 GLN H . . A . 3 ALA MB . . . 4 . HN . . . . . 3 . HB# . . rr_1du1 1
45 1 . . 1 1 1 1 THR MG H . . . 1 1 4 4 GLN H H . . . . . 5.0 1.9 5.8 . . . . . A . 4 GLN H . . A . 1 THR MG . . . 4 . HN . . . . . 1 . HG2# . . rr_1du1 1
46 1 . . 1 1 5 5 LYS H H . . . 1 1 4 4 GLN HA H . . . . . 2.8 1.9 3.5 . . . . . A . 4 GLN HA . . A . 5 LYS H . . . 4 . HA . . . . . 5 . HN . . rr_1du1 1
47 1 . . 1 1 4 4 GLN H H . . . 1 1 4 4 GLN HA H . . . . . 2.4 1.9 2.7 . . . . . A . 4 GLN HA . . A . 4 GLN H . . . 4 . HA . . . . . 4 . HN . . rr_1du1 1
48 1 OR . 1 1 4 4 GLN HA H . . . 1 1 4 4 GLN HG2 H . . . . . 2.8 1.9 3.5 . . . . . A . 4 GLN HA . . A . 4 GLN HG2 . . . 4 . HA . . . . . 4 . HG# . . rr_1du1 1
48 2 OR . 1 1 4 4 GLN HG3 H . . . 1 1 4 4 GLN HA H . . . . . 2.8 1.9 3.5 . . . . . A . 4 GLN HA . . A . 4 GLN HG3 . . . 4 . HA . . . . . 4 . HG# . . rr_1du1 1
49 1 OR . 1 1 5 5 LYS H H . . . 1 1 4 4 GLN HG2 H . . . . . 5.0 1.9 5.8 . . . . . A . 4 GLN HG2 . . A . 5 LYS H . . . 4 . HG# . . . . . 5 . HN . . rr_1du1 1
49 2 OR . 1 1 4 4 GLN HG3 H . . . 1 1 5 5 LYS H H . . . . . 5.0 1.9 5.8 . . . . . A . 4 GLN HG3 . . A . 5 LYS H . . . 4 . HG# . . . . . 5 . HN . . rr_1du1 1
50 1 OR . 1 1 4 4 GLN H H . . . 1 1 4 4 GLN HG2 H . . . . . 2.8 1.9 3.5 . . . . . A . 4 GLN HG2 . . A . 4 GLN H . . . 4 . HG# . . . . . 4 . HN . . rr_1du1 1
50 2 OR . 1 1 4 4 GLN HG3 H . . . 1 1 4 4 GLN H H . . . . . 2.8 1.9 3.5 . . . . . A . 4 GLN HG3 . . A . 4 GLN H . . . 4 . HG# . . . . . 4 . HN . . rr_1du1 1
51 1 OR . 1 1 4 4 GLN HA H . . . 1 1 4 4 GLN HG2 H . . . . . 2.8 1.9 3.5 . . . . . A . 4 GLN HG2 . . A . 4 GLN HA . . . 4 . HG# . . . . . 4 . HA . . rr_1du1 1
51 2 OR . 1 1 4 4 GLN HG3 H . . . 1 1 4 4 GLN HA H . . . . . 2.8 1.9 3.5 . . . . . A . 4 GLN HG3 . . A . 4 GLN HA . . . 4 . HG# . . . . . 4 . HA . . rr_1du1 1
52 1 OR . 1 1 1 1 THR MG H . . . 1 1 4 4 GLN HG2 H . . . . . 5.0 1.9 5.8 . . . . . A . 4 GLN HG2 . . A . 1 THR MG . . . 4 . HG# . . . . . 1 . HG2# . . rr_1du1 1
52 2 OR . 1 1 1 1 THR MG H . . . 1 1 4 4 GLN HG3 H . . . . . 5.0 1.9 5.8 . . . . . A . 4 GLN HG3 . . A . 1 THR MG . . . 4 . HG# . . . . . 1 . HG2# . . rr_1du1 1
53 1 OR . 1 1 4 4 GLN HB2 H . . . 1 1 4 4 GLN HE22 H . . . . . 5.0 1.9 5.8 . . . . . A . 4 GLN HB2 . . A . 4 GLN HE22 . . . 4 . HB# . . . . . 4 . HE2# . . rr_1du1 1
53 2 OR . 1 1 4 4 GLN HB3 H . . . 1 1 4 4 GLN HE22 H . . . . . 5.0 1.9 5.8 . . . . . A . 4 GLN HB3 . . A . 4 GLN HE22 . . . 4 . HB# . . . . . 4 . HE2# . . rr_1du1 1
53 3 OR . 1 1 4 4 GLN HE21 H . . . 1 1 4 4 GLN HB2 H . . . . . 5.0 1.9 5.8 . . . . . A . 4 GLN HB2 . . A . 4 GLN HE21 . . . 4 . HB# . . . . . 4 . HE2# . . rr_1du1 1
53 4 OR . 1 1 4 4 GLN HB3 H . . . 1 1 4 4 GLN HE21 H . . . . . 5.0 1.9 5.8 . . . . . A . 4 GLN HB3 . . A . 4 GLN HE21 . . . 4 . HB# . . . . . 4 . HE2# . . rr_1du1 1
54 1 OR . 1 1 3 3 ALA MB H . . . 1 1 4 4 GLN HG2 H . . . . . 5.0 1.9 5.8 . . . . . A . 4 GLN HG2 . . A . 3 ALA MB . . . 4 . HG# . . . . . 3 . HB# . . rr_1du1 1
54 2 OR . 1 1 4 4 GLN HG3 H . . . 1 1 3 3 ALA MB H . . . . . 5.0 1.9 5.8 . . . . . A . 4 GLN HG3 . . A . 3 ALA MB . . . 4 . HG# . . . . . 3 . HB# . . rr_1du1 1
55 1 OR . 1 1 4 4 GLN HG3 H . . . 1 1 7 7 LYS HB2 H . . . . . 5.0 1.9 5.8 . . . . . A . 4 GLN HG3 . . A . 7 LYS HB2 . . . 4 . HG# . . . . . 7 . HB# . . rr_1du1 1
55 2 OR . 1 1 7 7 LYS HB3 H . . . 1 1 4 4 GLN HG2 H . . . . . 5.0 1.9 5.8 . . . . . A . 4 GLN HG2 . . A . 7 LYS HB3 . . . 4 . HG# . . . . . 7 . HB# . . rr_1du1 1
55 3 OR . 1 1 4 4 GLN HG3 H . . . 1 1 7 7 LYS HB3 H . . . . . 5.0 1.9 5.8 . . . . . A . 4 GLN HG3 . . A . 7 LYS HB3 . . . 4 . HG# . . . . . 7 . HB# . . rr_1du1 1
55 4 OR . 1 1 4 4 GLN HG2 H . . . 1 1 7 7 LYS HB2 H . . . . . 5.0 1.9 5.8 . . . . . A . 4 GLN HG2 . . A . 7 LYS HB2 . . . 4 . HG# . . . . . 7 . HB# . . rr_1du1 1
56 1 OR . 1 1 4 4 GLN HG2 H . . . 1 1 7 7 LYS HG2 H . . . . . 5.0 1.9 5.8 . . . . . A . 4 GLN HG2 . . A . 7 LYS HG2 . . . 4 . HG# . . . . . 7 . HG# . . rr_1du1 1
56 2 OR . 1 1 4 4 GLN HG3 H . . . 1 1 7 7 LYS HG2 H . . . . . 5.0 1.9 5.8 . . . . . A . 4 GLN HG3 . . A . 7 LYS HG2 . . . 4 . HG# . . . . . 7 . HG# . . rr_1du1 1
56 3 OR . 1 1 7 7 LYS HG3 H . . . 1 1 4 4 GLN HG2 H . . . . . 5.0 1.9 5.8 . . . . . A . 4 GLN HG2 . . A . 7 LYS HG3 . . . 4 . HG# . . . . . 7 . HG# . . rr_1du1 1
56 4 OR . 1 1 4 4 GLN HG3 H . . . 1 1 7 7 LYS HG3 H . . . . . 5.0 1.9 5.8 . . . . . A . 4 GLN HG3 . . A . 7 LYS HG3 . . . 4 . HG# . . . . . 7 . HG# . . rr_1du1 1
57 1 OR . 1 1 4 4 GLN HA H . . . 1 1 7 7 LYS HB2 H . . . . . 5.0 1.9 5.8 . . . . . A . 4 GLN HA . . A . 7 LYS HB2 . . . 4 . HA . . . . . 7 . HB# . . rr_1du1 1
57 2 OR . 1 1 4 4 GLN HA H . . . 1 1 7 7 LYS HB3 H . . . . . 5.0 1.9 5.8 . . . . . A . 4 GLN HA . . A . 7 LYS HB3 . . . 4 . HA . . . . . 7 . HB# . . rr_1du1 1
58 1 . . 1 1 5 5 LYS H H . . . 1 1 6 6 ALA H H . . . . . 2.4 1.9 2.7 . . . . . A . 5 LYS H . . A . 6 ALA H . . . 5 . HN . . . . . 6 . HN . . rr_1du1 1
59 1 . . 1 1 5 5 LYS H H . . . 1 1 7 7 LYS H H . . . . . 5.0 1.9 5.8 . . . . . A . 5 LYS H . . A . 7 LYS H . . . 5 . HN . . . . . 7 . HN . . rr_1du1 1
60 1 . . 1 1 5 5 LYS H H . . . 1 1 5 5 LYS HA H . . . . . 2.8 1.9 3.5 . . . . . A . 5 LYS H . . A . 5 LYS HA . . . 5 . HN . . . . . 5 . HA . . rr_1du1 1
61 1 OR . 1 1 5 5 LYS H H . . . 1 1 4 4 GLN HG2 H . . . . . 5.0 1.9 5.8 . . . . . A . 5 LYS H . . A . 4 GLN HG2 . . . 5 . HN . . . . . 4 . HG# . . rr_1du1 1
61 2 OR . 1 1 4 4 GLN HG3 H . . . 1 1 5 5 LYS H H . . . . . 5.0 1.9 5.8 . . . . . A . 5 LYS H . . A . 4 GLN HG3 . . . 5 . HN . . . . . 4 . HG# . . rr_1du1 1
62 1 OR . 1 1 5 5 LYS H H . . . 1 1 4 4 GLN HB2 H . . . . . 2.8 1.9 3.5 . . . . . A . 5 LYS H . . A . 4 GLN HB2 . . . 5 . HN . . . . . 4 . HB# . . rr_1du1 1
62 2 OR . 1 1 4 4 GLN HB3 H . . . 1 1 5 5 LYS H H . . . . . 2.8 1.9 3.5 . . . . . A . 5 LYS H . . A . 4 GLN HB3 . . . 5 . HN . . . . . 4 . HB# . . rr_1du1 1
63 1 OR . 1 1 5 5 LYS H H . . . 1 1 5 5 LYS HB2 H . . . . . 2.8 1.9 3.5 . . . . . A . 5 LYS H . . A . 5 LYS HB2 . . . 5 . HN . . . . . 5 . HB# . . rr_1du1 1
63 2 OR . 1 1 5 5 LYS HB3 H . . . 1 1 5 5 LYS H H . . . . . 2.8 1.9 3.5 . . . . . A . 5 LYS H . . A . 5 LYS HB3 . . . 5 . HN . . . . . 5 . HB# . . rr_1du1 1
64 1 OR . 1 1 5 5 LYS H H . . . 1 1 5 5 LYS HD2 H . . . . . 5.0 1.9 5.8 . . . . . A . 5 LYS H . . A . 5 LYS HD2 . . . 5 . HN . . . . . 5 . HD# . . rr_1du1 1
64 2 OR . 1 1 5 5 LYS H H . . . 1 1 5 5 LYS HD3 H . . . . . 5.0 1.9 5.8 . . . . . A . 5 LYS H . . A . 5 LYS HD3 . . . 5 . HN . . . . . 5 . HD# . . rr_1du1 1
65 1 . . 1 1 2 2 SER HA H . . . 1 1 5 5 LYS H H . . . . . 5.0 1.9 5.8 . . . . . A . 5 LYS H . . A . 2 SER HA . . . 5 . HN . . . . . 2 . HA . . rr_1du1 1
66 1 . . 1 1 6 6 ALA H H . . . 1 1 5 5 LYS HA H . . . . . 2.8 1.9 3.5 . . . . . A . 5 LYS HA . . A . 6 ALA H . . . 5 . HA . . . . . 6 . HN . . rr_1du1 1
67 1 OR . 1 1 5 5 LYS HA H . . . 1 1 5 5 LYS HE2 H . . . . . 5.0 1.9 5.8 . . . . . A . 5 LYS HA . . A . 5 LYS HE2 . . . 5 . HA . . . . . 5 . HE# . . rr_1du1 1
67 2 OR . 1 1 5 5 LYS HA H . . . 1 1 5 5 LYS HE3 H . . . . . 5.0 1.9 5.8 . . . . . A . 5 LYS HA . . A . 5 LYS HE3 . . . 5 . HA . . . . . 5 . HE# . . rr_1du1 1
68 1 . . 1 1 5 5 LYS HA H . . . 1 1 8 8 ALA MB H . . . . . 5.0 1.9 5.8 . . . . . A . 5 LYS HA . . A . 8 ALA MB . . . 5 . HA . . . . . 8 . HB# . . rr_1du1 1
69 1 OR . 1 1 5 5 LYS H H . . . 1 1 5 5 LYS HB2 H . . . . . 2.8 1.9 3.5 . . . . . A . 5 LYS HB2 . . A . 5 LYS H . . . 5 . HB# . . . . . 5 . HN . . rr_1du1 1
69 2 OR . 1 1 5 5 LYS HB3 H . . . 1 1 5 5 LYS H H . . . . . 2.8 1.9 3.5 . . . . . A . 5 LYS HB3 . . A . 5 LYS H . . . 5 . HB# . . . . . 5 . HN . . rr_1du1 1
70 1 OR . 1 1 5 5 LYS H H . . . 1 1 5 5 LYS HG2 H . . . . . 5.0 1.9 5.8 . . . . . A . 5 LYS HG2 . . A . 5 LYS H . . . 5 . HG# . . . . . 5 . HN . . rr_1du1 1
70 2 OR . 1 1 5 5 LYS H H . . . 1 1 5 5 LYS HG3 H . . . . . 5.0 1.9 5.8 . . . . . A . 5 LYS HG3 . . A . 5 LYS H . . . 5 . HG# . . . . . 5 . HN . . rr_1du1 1
71 1 OR . 1 1 5 5 LYS HA H . . . 1 1 5 5 LYS HG2 H . . . . . 3.8 1.9 4.5 . . . . . A . 5 LYS HG2 . . A . 5 LYS HA . . . 5 . HG# . . . . . 5 . HA . . rr_1du1 1
71 2 OR . 1 1 5 5 LYS HA H . . . 1 1 5 5 LYS HG3 H . . . . . 3.8 1.9 4.5 . . . . . A . 5 LYS HG3 . . A . 5 LYS HA . . . 5 . HG# . . . . . 5 . HA . . rr_1du1 1
72 1 OR . 1 1 5 5 LYS HB3 H . . . 1 1 5 5 LYS HG2 H . . . . . 3.8 1.9 4.5 . . . . . A . 5 LYS HG2 . . A . 5 LYS HB3 . . . 5 . HG# . . . . . 5 . HB# . . rr_1du1 1
72 2 OR . 1 1 5 5 LYS HB2 H . . . 1 1 5 5 LYS HG2 H . . . . . 3.8 1.9 4.5 . . . . . A . 5 LYS HG2 . . A . 5 LYS HB2 . . . 5 . HG# . . . . . 5 . HB# . . rr_1du1 1
72 3 OR . 1 1 5 5 LYS HG3 H . . . 1 1 5 5 LYS HB2 H . . . . . 3.8 1.9 4.5 . . . . . A . 5 LYS HG3 . . A . 5 LYS HB2 . . . 5 . HG# . . . . . 5 . HB# . . rr_1du1 1
72 4 OR . 1 1 5 5 LYS HB3 H . . . 1 1 5 5 LYS HG3 H . . . . . 3.8 1.9 4.5 . . . . . A . 5 LYS HG3 . . A . 5 LYS HB3 . . . 5 . HG# . . . . . 5 . HB# . . rr_1du1 1
73 1 OR . 1 1 5 5 LYS HD2 H . . . 1 1 5 5 LYS HG2 H . . . . . 2.4 1.9 2.7 . . . . . A . 5 LYS HG2 . . A . 5 LYS HD2 . . . 5 . HG# . . . . . 5 . HD# . . rr_1du1 1
73 2 OR . 1 1 5 5 LYS HD3 H . . . 1 1 5 5 LYS HG2 H . . . . . 2.4 1.9 2.7 . . . . . A . 5 LYS HG2 . . A . 5 LYS HD3 . . . 5 . HG# . . . . . 5 . HD# . . rr_1du1 1
73 3 OR . 1 1 5 5 LYS HG3 H . . . 1 1 5 5 LYS HD2 H . . . . . 2.4 1.9 2.7 . . . . . A . 5 LYS HG3 . . A . 5 LYS HD2 . . . 5 . HG# . . . . . 5 . HD# . . rr_1du1 1
73 4 OR . 1 1 5 5 LYS HD3 H . . . 1 1 5 5 LYS HG3 H . . . . . 2.4 1.9 2.7 . . . . . A . 5 LYS HG3 . . A . 5 LYS HD3 . . . 5 . HG# . . . . . 5 . HD# . . rr_1du1 1
74 1 . . 1 1 6 6 ALA H H . . . 1 1 7 7 LYS H H . . . . . 2.4 1.9 2.7 . . . . . A . 6 ALA H . . A . 7 LYS H . . . 6 . HN . . . . . 7 . HN . . rr_1du1 1
75 1 . . 1 1 6 6 ALA H H . . . 1 1 8 8 ALA H H . . . . . 5.0 1.9 5.8 . . . . . A . 6 ALA H . . A . 8 ALA H . . . 6 . HN . . . . . 8 . HN . . rr_1du1 1
76 1 . . 1 1 6 6 ALA H H . . . 1 1 6 6 ALA MB H . . . . . 2.4 1.9 2.7 . . . . . A . 6 ALA H . . A . 6 ALA MB . . . 6 . HN . . . . . 6 . HB# . . rr_1du1 1
77 1 . . 1 1 6 6 ALA H H . . . 1 1 6 6 ALA HA H . . . . . 2.4 1.9 2.7 . . . . . A . 6 ALA H . . A . 6 ALA HA . . . 6 . HN . . . . . 6 . HA . . rr_1du1 1
78 1 . . 1 1 2 2 SER HA H . . . 1 1 6 6 ALA H H . . . . . 5.0 1.9 5.8 . . . . . A . 6 ALA H . . A . 2 SER HA . . . 6 . HN . . . . . 2 . HA . . rr_1du1 1
79 1 . . 1 1 6 6 ALA H H . . . 1 1 6 6 ALA MB H . . . . . 2.4 1.9 2.7 . . . . . A . 6 ALA H . . A . 6 ALA MB . . . 6 . HN . . . . . 6 . HB# . . rr_1du1 1
80 1 OR . 1 1 6 6 ALA HA H . . . 1 1 9 9 GLU HB2 H . . . . . 5.0 1.9 5.8 . . . . . A . 6 ALA HA . . A . 9 GLU HB2 . . . 6 . HA . . . . . 9 . HB# . . rr_1du1 1
80 2 OR . 1 1 6 6 ALA HA H . . . 1 1 9 9 GLU HB3 H . . . . . 5.0 1.9 5.8 . . . . . A . 6 ALA HA . . A . 9 GLU HB3 . . . 6 . HA . . . . . 9 . HB# . . rr_1du1 1
81 1 . . 1 1 7 7 LYS H H . . . 1 1 8 8 ALA H H . . . . . 2.8 1.9 3.5 . . . . . A . 7 LYS H . . A . 8 ALA H . . . 7 . HN . . . . . 8 . HN . . rr_1du1 1
82 1 . . 1 1 7 7 LYS H H . . . 1 1 9 9 GLU H H . . . . . 5.0 1.9 5.8 . . . . . A . 7 LYS H . . A . 9 GLU H . . . 7 . HN . . . . . 9 . HN . . rr_1du1 1
83 1 . . 1 1 7 7 LYS H H . . . 1 1 7 7 LYS HA H . . . . . 2.4 1.9 2.7 . . . . . A . 7 LYS H . . A . 7 LYS HA . . . 7 . HN . . . . . 7 . HA . . rr_1du1 1
84 1 . . 1 1 7 7 LYS H H . . . 1 1 6 6 ALA HA H . . . . . 2.8 1.9 3.5 . . . . . A . 7 LYS H . . A . 6 ALA HA . . . 7 . HN . . . . . 6 . HA . . rr_1du1 1
85 1 OR . 1 1 7 7 LYS H H . . . 1 1 7 7 LYS HB2 H . . . . . 2.4 1.9 2.7 . . . . . A . 7 LYS H . . A . 7 LYS HB2 . . . 7 . HN . . . . . 7 . HB# . . rr_1du1 1
85 2 OR . 1 1 7 7 LYS HB3 H . . . 1 1 7 7 LYS H H . . . . . 2.4 1.9 2.7 . . . . . A . 7 LYS H . . A . 7 LYS HB3 . . . 7 . HN . . . . . 7 . HB# . . rr_1du1 1
86 1 . . 1 1 4 4 GLN HA H . . . 1 1 7 7 LYS H H . . . . . 3.8 1.9 4.5 . . . . . A . 7 LYS H . . A . 4 GLN HA . . . 7 . HN . . . . . 4 . HA . . rr_1du1 1
87 1 OR . 1 1 7 7 LYS H H . . . 1 1 7 7 LYS HD2 H . . . . . 5.0 1.9 5.8 . . . . . A . 7 LYS H . . A . 7 LYS HD2 . . . 7 . HN . . . . . 7 . HD# . . rr_1du1 1
87 2 OR . 1 1 7 7 LYS H H . . . 1 1 7 7 LYS HD3 H . . . . . 5.0 1.9 5.8 . . . . . A . 7 LYS H . . A . 7 LYS HD3 . . . 7 . HN . . . . . 7 . HD# . . rr_1du1 1
88 1 OR . 1 1 7 7 LYS H H . . . 1 1 7 7 LYS HG2 H . . . . . 2.4 1.9 2.7 . . . . . A . 7 LYS H . . A . 7 LYS HG2 . . . 7 . HN . . . . . 7 . HG# . . rr_1du1 1
88 2 OR . 1 1 7 7 LYS HG3 H . . . 1 1 7 7 LYS H H . . . . . 2.4 1.9 2.7 . . . . . A . 7 LYS H . . A . 7 LYS HG3 . . . 7 . HN . . . . . 7 . HG# . . rr_1du1 1
89 1 OR . 1 1 7 7 LYS H H . . . 1 1 7 7 LYS HG2 H . . . . . 5.0 1.9 5.8 . . . . . A . 7 LYS H . . A . 7 LYS HG2 . . . 7 . HN . . . . . 7 . HG# . . rr_1du1 1
89 2 OR . 1 1 7 7 LYS HG3 H . . . 1 1 7 7 LYS H H . . . . . 5.0 1.9 5.8 . . . . . A . 7 LYS H . . A . 7 LYS HG3 . . . 7 . HN . . . . . 7 . HG# . . rr_1du1 1
90 1 . . 1 1 7 7 LYS HA H . . . 1 1 10 10 GLU H H . . . . . 3.8 1.9 4.5 . . . . . A . 7 LYS HA . . A . 10 GLU H . . . 7 . HA . . . . . 10 . HN . . rr_1du1 1
91 1 . . 1 1 8 8 ALA H H . . . 1 1 7 7 LYS HA H . . . . . 2.8 1.9 3.5 . . . . . A . 7 LYS HA . . A . 8 ALA H . . . 7 . HA . . . . . 8 . HN . . rr_1du1 1
92 1 . . 1 1 7 7 LYS H H . . . 1 1 7 7 LYS HA H . . . . . 2.4 1.9 2.7 . . . . . A . 7 LYS HA . . A . 7 LYS H . . . 7 . HA . . . . . 7 . HN . . rr_1du1 1
93 1 OR . 1 1 7 7 LYS HA H . . . 1 1 7 7 LYS HE2 H . . . . . 5.0 1.9 5.8 . . . . . A . 7 LYS HA . . A . 7 LYS HE2 . . . 7 . HA . . . . . 7 . HE# . . rr_1du1 1
93 2 OR . 1 1 7 7 LYS HA H . . . 1 1 7 7 LYS HE3 H . . . . . 5.0 1.9 5.8 . . . . . A . 7 LYS HA . . A . 7 LYS HE3 . . . 7 . HA . . . . . 7 . HE# . . rr_1du1 1
94 1 OR . 1 1 7 7 LYS HA H . . . 1 1 7 7 LYS HB2 H . . . . . 2.4 1.9 2.7 . . . . . A . 7 LYS HA . . A . 7 LYS HB2 . . . 7 . HA . . . . . 7 . HB# . . rr_1du1 1
94 2 OR . 1 1 7 7 LYS HB3 H . . . 1 1 7 7 LYS HA H . . . . . 2.4 1.9 2.7 . . . . . A . 7 LYS HA . . A . 7 LYS HB3 . . . 7 . HA . . . . . 7 . HB# . . rr_1du1 1
95 1 OR . 1 1 7 7 LYS HA H . . . 1 1 7 7 LYS HD2 H . . . . . 5.0 1.9 5.8 . . . . . A . 7 LYS HA . . A . 7 LYS HD2 . . . 7 . HA . . . . . 7 . HD# . . rr_1du1 1
95 2 OR . 1 1 7 7 LYS HA H . . . 1 1 7 7 LYS HD3 H . . . . . 5.0 1.9 5.8 . . . . . A . 7 LYS HA . . A . 7 LYS HD3 . . . 7 . HA . . . . . 7 . HD# . . rr_1du1 1
96 1 OR . 1 1 7 7 LYS HA H . . . 1 1 7 7 LYS HG2 H . . . . . 2.4 1.9 2.7 . . . . . A . 7 LYS HA . . A . 7 LYS HG2 . . . 7 . HA . . . . . 7 . HG# . . rr_1du1 1
96 2 OR . 1 1 7 7 LYS HG3 H . . . 1 1 7 7 LYS HA H . . . . . 2.4 1.9 2.7 . . . . . A . 7 LYS HA . . A . 7 LYS HG3 . . . 7 . HA . . . . . 7 . HG# . . rr_1du1 1
97 1 OR . 1 1 7 7 LYS HA H . . . 1 1 7 7 LYS HG2 H . . . . . 5.0 1.9 5.8 . . . . . A . 7 LYS HA . . A . 7 LYS HG2 . . . 7 . HA . . . . . 7 . HG# . . rr_1du1 1
97 2 OR . 1 1 7 7 LYS HG3 H . . . 1 1 7 7 LYS HA H . . . . . 5.0 1.9 5.8 . . . . . A . 7 LYS HA . . A . 7 LYS HG3 . . . 7 . HA . . . . . 7 . HG# . . rr_1du1 1
98 1 OR . 1 1 7 7 LYS HA H . . . 1 1 10 10 GLU HB2 H . . . . . 3.8 1.9 4.5 . . . . . A . 7 LYS HA . . A . 10 GLU HB2 . . . 7 . HA . . . . . 10 . HB# . . rr_1du1 1
98 2 OR . 1 1 7 7 LYS HA H . . . 1 1 10 10 GLU HB3 H . . . . . 3.8 1.9 4.5 . . . . . A . 7 LYS HA . . A . 10 GLU HB3 . . . 7 . HA . . . . . 10 . HB# . . rr_1du1 1
99 1 . . 1 1 8 8 ALA H H . . . 1 1 9 9 GLU H H . . . . . 2.4 1.9 2.7 . . . . . A . 8 ALA H . . A . 9 GLU H . . . 8 . HN . . . . . 9 . HN . . rr_1du1 1
100 1 . . 1 1 8 8 ALA H H . . . 1 1 10 10 GLU H H . . . . . 5.0 1.9 5.8 . . . . . A . 8 ALA H . . A . 10 GLU H . . . 8 . HN . . . . . 10 . HN . . rr_1du1 1
101 1 . . 1 1 8 8 ALA H H . . . 1 1 8 8 ALA HA H . . . . . 2.4 1.9 2.7 . . . . . A . 8 ALA H . . A . 8 ALA HA . . . 8 . HN . . . . . 8 . HA . . rr_1du1 1
102 1 OR . 1 1 8 8 ALA H H . . . 1 1 9 9 GLU HG2 H . . . . . 5.0 1.9 5.8 . . . . . A . 8 ALA H . . A . 9 GLU HG2 . . . 8 . HN . . . . . 9 . HG# . . rr_1du1 1
102 2 OR . 1 1 8 8 ALA H H . . . 1 1 9 9 GLU HG3 H . . . . . 5.0 1.9 5.8 . . . . . A . 8 ALA H . . A . 9 GLU HG3 . . . 8 . HN . . . . . 9 . HG# . . rr_1du1 1
103 1 . . 1 1 9 9 GLU H H . . . 1 1 8 8 ALA HA H . . . . . 2.4 1.9 2.7 . . . . . A . 8 ALA HA . . A . 9 GLU H . . . 8 . HA . . . . . 9 . HN . . rr_1du1 1
104 1 OR . 1 1 8 8 ALA HA H . . . 1 1 11 11 ARG HB2 H . . . . . 5.0 1.9 5.8 . . . . . A . 8 ALA HA . . A . 11 ARG HB2 . . . 8 . HA . . . . . 11 . HB# . . rr_1du1 1
104 2 OR . 1 1 8 8 ALA HA H . . . 1 1 11 11 ARG HB3 H . . . . . 5.0 1.9 5.8 . . . . . A . 8 ALA HA . . A . 11 ARG HB3 . . . 8 . HA . . . . . 11 . HB# . . rr_1du1 1
105 1 . . 1 1 8 8 ALA MB H . . . 1 1 8 8 ALA HA H . . . . . 2.4 1.9 2.7 . . . . . A . 8 ALA HA . . A . 8 ALA MB . . . 8 . HA . . . . . 8 . HB# . . rr_1du1 1
106 1 . . 1 1 8 8 ALA MB H . . . 1 1 8 8 ALA H H . . . . . 2.4 1.9 2.7 . . . . . A . 8 ALA MB . . A . 8 ALA H . . . 8 . HB# . . . . . 8 . HN . . rr_1du1 1
107 1 . . 1 1 9 9 GLU H H . . . 1 1 10 10 GLU H H . . . . . 2.8 1.9 3.5 . . . . . A . 9 GLU H . . A . 10 GLU H . . . 9 . HN . . . . . 10 . HN . . rr_1du1 1
108 1 . . 1 1 9 9 GLU H H . . . 1 1 11 11 ARG H H . . . . . 5.0 1.9 5.8 . . . . . A . 9 GLU H . . A . 11 ARG H . . . 9 . HN . . . . . 11 . HN . . rr_1du1 1
109 1 . . 1 1 9 9 GLU H H . . . 1 1 9 9 GLU HA H . . . . . 2.4 1.9 2.7 . . . . . A . 9 GLU H . . A . 9 GLU HA . . . 9 . HN . . . . . 9 . HA . . rr_1du1 1
110 1 . . 1 1 9 9 GLU H H . . . 1 1 8 8 ALA HA H . . . . . 2.4 1.9 2.7 . . . . . A . 9 GLU H . . A . 8 ALA HA . . . 9 . HN . . . . . 8 . HA . . rr_1du1 1
111 1 OR . 1 1 9 9 GLU H H . . . 1 1 9 9 GLU HG2 H . . . . . 2.8 1.9 3.5 . . . . . A . 9 GLU H . . A . 9 GLU HG2 . . . 9 . HN . . . . . 9 . HG# . . rr_1du1 1
111 2 OR . 1 1 9 9 GLU H H . . . 1 1 9 9 GLU HG3 H . . . . . 2.8 1.9 3.5 . . . . . A . 9 GLU H . . A . 9 GLU HG3 . . . 9 . HN . . . . . 9 . HG# . . rr_1du1 1
112 1 . . 1 1 6 6 ALA HA H . . . 1 1 9 9 GLU H H . . . . . 5.0 1.9 5.8 . . . . . A . 9 GLU H . . A . 6 ALA HA . . . 9 . HN . . . . . 6 . HA . . rr_1du1 1
113 1 . . 1 1 10 10 GLU H H . . . 1 1 9 9 GLU HA H . . . . . 2.8 1.9 3.5 . . . . . A . 9 GLU HA . . A . 10 GLU H . . . 9 . HA . . . . . 10 . HN . . rr_1du1 1
114 1 OR . 1 1 9 9 GLU HA H . . . 1 1 9 9 GLU HG2 H . . . . . 2.8 1.9 3.5 . . . . . A . 9 GLU HA . . A . 9 GLU HG2 . . . 9 . HA . . . . . 9 . HG# . . rr_1du1 1
114 2 OR . 1 1 9 9 GLU HG3 H . . . 1 1 9 9 GLU HA H . . . . . 2.8 1.9 3.5 . . . . . A . 9 GLU HA . . A . 9 GLU HG3 . . . 9 . HA . . . . . 9 . HG# . . rr_1du1 1
115 1 OR . 1 1 9 9 GLU H H . . . 1 1 9 9 GLU HB2 H . . . . . 3.8 1.9 4.5 . . . . . A . 9 GLU HB2 . . A . 9 GLU H . . . 9 . HB# . . . . . 9 . HN . . rr_1du1 1
115 2 OR . 1 1 9 9 GLU HB3 H . . . 1 1 9 9 GLU H H . . . . . 3.8 1.9 4.5 . . . . . A . 9 GLU HB3 . . A . 9 GLU H . . . 9 . HB# . . . . . 9 . HN . . rr_1du1 1
116 1 OR . 1 1 10 10 GLU H H . . . 1 1 9 9 GLU HB2 H . . . . . 2.8 1.9 3.5 . . . . . A . 9 GLU HB2 . . A . 10 GLU H . . . 9 . HB# . . . . . 10 . HN . . rr_1du1 1
116 2 OR . 1 1 9 9 GLU HB3 H . . . 1 1 10 10 GLU H H . . . . . 2.8 1.9 3.5 . . . . . A . 9 GLU HB3 . . A . 10 GLU H . . . 9 . HB# . . . . . 10 . HN . . rr_1du1 1
117 1 OR . 1 1 5 5 LYS HD3 H . . . 1 1 9 9 GLU HB2 H . . . . . 5.0 1.9 5.8 . . . . . A . 9 GLU HB2 . . A . 5 LYS HD3 . . . 9 . HB# . . . . . 5 . HD# . . rr_1du1 1
117 2 OR . 1 1 5 5 LYS HD2 H . . . 1 1 9 9 GLU HB2 H . . . . . 5.0 1.9 5.8 . . . . . A . 9 GLU HB2 . . A . 5 LYS HD2 . . . 9 . HB# . . . . . 5 . HD# . . rr_1du1 1
117 3 OR . 1 1 9 9 GLU HB3 H . . . 1 1 5 5 LYS HD2 H . . . . . 5.0 1.9 5.8 . . . . . A . 9 GLU HB3 . . A . 5 LYS HD2 . . . 9 . HB# . . . . . 5 . HD# . . rr_1du1 1
117 4 OR . 1 1 5 5 LYS HD3 H . . . 1 1 9 9 GLU HB3 H . . . . . 5.0 1.9 5.8 . . . . . A . 9 GLU HB3 . . A . 5 LYS HD3 . . . 9 . HB# . . . . . 5 . HD# . . rr_1du1 1
118 1 OR . 1 1 5 5 LYS HB2 H . . . 1 1 9 9 GLU HG2 H . . . . . 5.0 1.9 5.8 . . . . . A . 9 GLU HG2 . . A . 5 LYS HB2 . . . 9 . HG# . . . . . 5 . HB# . . rr_1du1 1
118 2 OR . 1 1 5 5 LYS HB3 H . . . 1 1 9 9 GLU HG2 H . . . . . 5.0 1.9 5.8 . . . . . A . 9 GLU HG2 . . A . 5 LYS HB3 . . . 9 . HG# . . . . . 5 . HB# . . rr_1du1 1
118 3 OR . 1 1 9 9 GLU HG3 H . . . 1 1 5 5 LYS HB2 H . . . . . 5.0 1.9 5.8 . . . . . A . 9 GLU HG3 . . A . 5 LYS HB2 . . . 9 . HG# . . . . . 5 . HB# . . rr_1du1 1
118 4 OR . 1 1 5 5 LYS HB3 H . . . 1 1 9 9 GLU HG3 H . . . . . 5.0 1.9 5.8 . . . . . A . 9 GLU HG3 . . A . 5 LYS HB3 . . . 9 . HG# . . . . . 5 . HB# . . rr_1du1 1
119 1 OR . 1 1 5 5 LYS HG3 H . . . 1 1 9 9 GLU HG2 H . . . . . 5.0 1.9 5.8 . . . . . A . 9 GLU HG2 . . A . 5 LYS HG3 . . . 9 . HG# . . . . . 5 . HG# . . rr_1du1 1
119 2 OR . 1 1 5 5 LYS HG2 H . . . 1 1 9 9 GLU HG2 H . . . . . 5.0 1.9 5.8 . . . . . A . 9 GLU HG2 . . A . 5 LYS HG2 . . . 9 . HG# . . . . . 5 . HG# . . rr_1du1 1
119 3 OR . 1 1 9 9 GLU HG3 H . . . 1 1 5 5 LYS HG2 H . . . . . 5.0 1.9 5.8 . . . . . A . 9 GLU HG3 . . A . 5 LYS HG2 . . . 9 . HG# . . . . . 5 . HG# . . rr_1du1 1
119 4 OR . 1 1 5 5 LYS HG3 H . . . 1 1 9 9 GLU HG3 H . . . . . 5.0 1.9 5.8 . . . . . A . 9 GLU HG3 . . A . 5 LYS HG3 . . . 9 . HG# . . . . . 5 . HG# . . rr_1du1 1
120 1 OR . 1 1 10 10 GLU H H . . . 1 1 9 9 GLU HG2 H . . . . . 2.8 1.9 3.5 . . . . . A . 9 GLU HG2 . . A . 10 GLU H . . . 9 . HG# . . . . . 10 . HN . . rr_1du1 1
120 2 OR . 1 1 10 10 GLU H H . . . 1 1 9 9 GLU HG3 H . . . . . 2.8 1.9 3.5 . . . . . A . 9 GLU HG3 . . A . 10 GLU H . . . 9 . HG# . . . . . 10 . HN . . rr_1du1 1
121 1 OR . 1 1 9 9 GLU HG2 H . . . 1 1 12 12 LYS HB3 H . . . . . 5.0 1.9 5.8 . . . . . A . 9 GLU HG2 . . A . 12 LYS HB3 . . . 9 . HG# . . . . . 12 . HB# . . rr_1du1 1
121 2 OR . 1 1 9 9 GLU HG3 H . . . 1 1 12 12 LYS HB3 H . . . . . 5.0 1.9 5.8 . . . . . A . 9 GLU HG3 . . A . 12 LYS HB3 . . . 9 . HG# . . . . . 12 . HB# . . rr_1du1 1
121 3 OR . 1 1 12 12 LYS HB2 H . . . 1 1 9 9 GLU HG2 H . . . . . 5.0 1.9 5.8 . . . . . A . 9 GLU HG2 . . A . 12 LYS HB2 . . . 9 . HG# . . . . . 12 . HB# . . rr_1du1 1
121 4 OR . 1 1 9 9 GLU HG3 H . . . 1 1 12 12 LYS HB2 H . . . . . 5.0 1.9 5.8 . . . . . A . 9 GLU HG3 . . A . 12 LYS HB2 . . . 9 . HG# . . . . . 12 . HB# . . rr_1du1 1
122 1 . . 1 1 10 10 GLU H H . . . 1 1 11 11 ARG H H . . . . . 3.8 1.9 4.5 . . . . . A . 10 GLU H . . A . 11 ARG H . . . 10 . HN . . . . . 11 . HN . . rr_1du1 1
123 1 . . 1 1 10 10 GLU H H . . . 1 1 10 10 GLU HA H . . . . . 2.4 1.9 2.7 . . . . . A . 10 GLU H . . A . 10 GLU HA . . . 10 . HN . . . . . 10 . HA . . rr_1du1 1
124 1 OR . 1 1 10 10 GLU H H . . . 1 1 10 10 GLU HG2 H . . . . . 5.0 1.9 5.8 . . . . . A . 10 GLU H . . A . 10 GLU HG2 . . . 10 . HN . . . . . 10 . HG# . . rr_1du1 1
124 2 OR . 1 1 10 10 GLU H H . . . 1 1 10 10 GLU HG3 H . . . . . 5.0 1.9 5.8 . . . . . A . 10 GLU H . . A . 10 GLU HG3 . . . 10 . HN . . . . . 10 . HG# . . rr_1du1 1
125 1 . . 1 1 11 11 ARG H H . . . 1 1 10 10 GLU HA H . . . . . 2.4 1.9 2.7 . . . . . A . 10 GLU HA . . A . 11 ARG H . . . 10 . HA . . . . . 11 . HN . . rr_1du1 1
126 1 OR . 1 1 10 10 GLU HA H . . . 1 1 10 10 GLU HG2 H . . . . . 3.8 1.9 4.5 . . . . . A . 10 GLU HA . . A . 10 GLU HG2 . . . 10 . HA . . . . . 10 . HG# . . rr_1du1 1
126 2 OR . 1 1 10 10 GLU HA H . . . 1 1 10 10 GLU HG3 H . . . . . 3.8 1.9 4.5 . . . . . A . 10 GLU HA . . A . 10 GLU HG3 . . . 10 . HA . . . . . 10 . HG# . . rr_1du1 1
127 1 OR . 1 1 10 10 GLU HA H . . . 1 1 13 13 ARG HB2 H . . . . . 5.0 1.9 5.8 . . . . . A . 10 GLU HA . . A . 13 ARG HB2 . . . 10 . HA . . . . . 13 . HB# . . rr_1du1 1
127 2 OR . 1 1 10 10 GLU HA H . . . 1 1 13 13 ARG HB3 H . . . . . 5.0 1.9 5.8 . . . . . A . 10 GLU HA . . A . 13 ARG HB3 . . . 10 . HA . . . . . 13 . HB# . . rr_1du1 1
128 1 OR . 1 1 10 10 GLU HB2 H . . . 1 1 14 14 ARG HB2 H . . . . . 5.0 1.9 5.8 . . . . . A . 10 GLU HB2 . . A . 14 ARG HB2 . . . 10 . HB# . . . . . 14 . HB# . . rr_1du1 1
128 2 OR . 1 1 10 10 GLU HB3 H . . . 1 1 14 14 ARG HB2 H . . . . . 5.0 1.9 5.8 . . . . . A . 10 GLU HB3 . . A . 14 ARG HB2 . . . 10 . HB# . . . . . 14 . HB# . . rr_1du1 1
128 3 OR . 1 1 14 14 ARG HB3 H . . . 1 1 10 10 GLU HB2 H . . . . . 5.0 1.9 5.8 . . . . . A . 10 GLU HB2 . . A . 14 ARG HB3 . . . 10 . HB# . . . . . 14 . HB# . . rr_1du1 1
128 4 OR . 1 1 10 10 GLU HB3 H . . . 1 1 14 14 ARG HB3 H . . . . . 5.0 1.9 5.8 . . . . . A . 10 GLU HB3 . . A . 14 ARG HB3 . . . 10 . HB# . . . . . 14 . HB# . . rr_1du1 1
129 1 . . 1 1 11 11 ARG H H . . . 1 1 12 12 LYS H H . . . . . 2.8 1.9 3.5 . . . . . A . 11 ARG H . . A . 12 LYS H . . . 11 . HN . . . . . 12 . HN . . rr_1du1 1
130 1 . . 1 1 11 11 ARG H H . . . 1 1 11 11 ARG HA H . . . . . 2.4 1.9 2.7 . . . . . A . 11 ARG H . . A . 11 ARG HA . . . 11 . HN . . . . . 11 . HA . . rr_1du1 1
131 1 OR . 1 1 11 11 ARG H H . . . 1 1 11 11 ARG HB2 H . . . . . 2.8 1.9 3.5 . . . . . A . 11 ARG H . . A . 11 ARG HB2 . . . 11 . HN . . . . . 11 . HB# . . rr_1du1 1
131 2 OR . 1 1 11 11 ARG HB3 H . . . 1 1 11 11 ARG H H . . . . . 2.8 1.9 3.5 . . . . . A . 11 ARG H . . A . 11 ARG HB3 . . . 11 . HN . . . . . 11 . HB# . . rr_1du1 1
132 1 OR . 1 1 11 11 ARG H H . . . 1 1 11 11 ARG HG2 H . . . . . 3.8 1.9 4.5 . . . . . A . 11 ARG H . . A . 11 ARG HG2 . . . 11 . HN . . . . . 11 . HG# . . rr_1du1 1
132 2 OR . 1 1 11 11 ARG H H . . . 1 1 11 11 ARG HG3 H . . . . . 3.8 1.9 4.5 . . . . . A . 11 ARG H . . A . 11 ARG HG3 . . . 11 . HN . . . . . 11 . HG# . . rr_1du1 1
133 1 OR . 1 1 11 11 ARG H H . . . 1 1 12 12 LYS HD2 H . . . . . 5.0 1.9 5.8 . . . . . A . 11 ARG H . . A . 12 LYS HD2 . . . 11 . HN . . . . . 12 . HD# . . rr_1du1 1
133 2 OR . 1 1 11 11 ARG H H . . . 1 1 12 12 LYS HD3 H . . . . . 5.0 1.9 5.8 . . . . . A . 11 ARG H . . A . 12 LYS HD3 . . . 11 . HN . . . . . 12 . HD# . . rr_1du1 1
134 1 OR . 1 1 11 11 ARG H H . . . 1 1 12 12 LYS HG2 H . . . . . 5.0 1.9 5.8 . . . . . A . 11 ARG H . . A . 12 LYS HG2 . . . 11 . HN . . . . . 12 . HG# . . rr_1du1 1
134 2 OR . 1 1 11 11 ARG H H . . . 1 1 12 12 LYS HG3 H . . . . . 5.0 1.9 5.8 . . . . . A . 11 ARG H . . A . 12 LYS HG3 . . . 11 . HN . . . . . 12 . HG# . . rr_1du1 1
135 1 OR . 1 1 11 11 ARG H H . . . 1 1 11 11 ARG HD2 H . . . . . 5.0 1.9 5.8 . . . . . A . 11 ARG H . . A . 11 ARG HD2 . . . 11 . HN . . . . . 11 . HD# . . rr_1du1 1
135 2 OR . 1 1 11 11 ARG H H . . . 1 1 11 11 ARG HD3 H . . . . . 5.0 1.9 5.8 . . . . . A . 11 ARG H . . A . 11 ARG HD3 . . . 11 . HN . . . . . 11 . HD# . . rr_1du1 1
136 1 . . 1 1 12 12 LYS H H . . . 1 1 11 11 ARG HA H . . . . . 2.8 1.9 3.5 . . . . . A . 11 ARG HA . . A . 12 LYS H . . . 11 . HA . . . . . 12 . HN . . rr_1du1 1
137 1 OR . 1 1 11 11 ARG HA H . . . 1 1 11 11 ARG HD2 H . . . . . 5.0 1.9 5.8 . . . . . A . 11 ARG HA . . A . 11 ARG HD2 . . . 11 . HA . . . . . 11 . HD# . . rr_1du1 1
137 2 OR . 1 1 11 11 ARG HA H . . . 1 1 11 11 ARG HD3 H . . . . . 5.0 1.9 5.8 . . . . . A . 11 ARG HA . . A . 11 ARG HD3 . . . 11 . HA . . . . . 11 . HD# . . rr_1du1 1
138 1 OR . 1 1 11 11 ARG HA H . . . 1 1 11 11 ARG HB2 H . . . . . 2.4 1.9 2.7 . . . . . A . 11 ARG HA . . A . 11 ARG HB2 . . . 11 . HA . . . . . 11 . HB# . . rr_1du1 1
138 2 OR . 1 1 11 11 ARG HB3 H . . . 1 1 11 11 ARG HA H . . . . . 2.4 1.9 2.7 . . . . . A . 11 ARG HA . . A . 11 ARG HB3 . . . 11 . HA . . . . . 11 . HB# . . rr_1du1 1
139 1 OR . 1 1 11 11 ARG HA H . . . 1 1 12 12 LYS HD2 H . . . . . 5.0 1.9 5.8 . . . . . A . 11 ARG HA . . A . 12 LYS HD2 . . . 11 . HA . . . . . 12 . HD# . . rr_1du1 1
139 2 OR . 1 1 11 11 ARG HA H . . . 1 1 12 12 LYS HD3 H . . . . . 5.0 1.9 5.8 . . . . . A . 11 ARG HA . . A . 12 LYS HD3 . . . 11 . HA . . . . . 12 . HD# . . rr_1du1 1
140 1 OR . 1 1 8 8 ALA HA H . . . 1 1 11 11 ARG HE H . . . . . 5.0 1.9 5.8 . . . . . A . 11 ARG HE . . A . 8 ALA HA . . . 11 . HE . . . . . 8 . HA . . rr_1du1 1
140 2 OR . 1 1 7 7 LYS HA H . . . 1 1 11 11 ARG HE H . . . . . 5.0 1.9 5.8 . . . . . A . 11 ARG HE . . A . 7 LYS HA . . . 11 . HE . . . . . 7 . HA . . rr_1du1 1
141 1 . . 1 1 12 12 LYS H H . . . 1 1 13 13 ARG H H . . . . . 5.0 1.9 5.8 . . . . . A . 12 LYS H . . A . 13 ARG H . . . 12 . HN . . . . . 13 . HN . . rr_1du1 1
142 1 . . 1 1 12 12 LYS H H . . . 1 1 12 12 LYS HA H . . . . . 2.4 1.9 2.7 . . . . . A . 12 LYS H . . A . 12 LYS HA . . . 12 . HN . . . . . 12 . HA . . rr_1du1 1
143 1 . . 1 1 12 12 LYS H H . . . 1 1 11 11 ARG HA H . . . . . 2.8 1.9 3.5 . . . . . A . 12 LYS H . . A . 11 ARG HA . . . 12 . HN . . . . . 11 . HA . . rr_1du1 1
144 1 . . 1 1 10 10 GLU H H . . . 1 1 12 12 LYS H H . . . . . 5.0 1.9 5.8 . . . . . A . 12 LYS H . . A . 10 GLU H . . . 12 . HN . . . . . 10 . HN . . rr_1du1 1
145 1 OR . 1 1 12 12 LYS H H . . . 1 1 12 12 LYS HB3 H . . . . . 2.4 1.9 2.7 . . . . . A . 12 LYS H . . A . 12 LYS HB3 . . . 12 . HN . . . . . 12 . HB# . . rr_1du1 1
145 2 OR . 1 1 12 12 LYS HB2 H . . . 1 1 12 12 LYS H H . . . . . 2.4 1.9 2.7 . . . . . A . 12 LYS H . . A . 12 LYS HB2 . . . 12 . HN . . . . . 12 . HB# . . rr_1du1 1
146 1 OR . 1 1 12 12 LYS H H . . . 1 1 12 12 LYS HD2 H . . . . . 5.0 1.9 5.8 . . . . . A . 12 LYS H . . A . 12 LYS HD2 . . . 12 . HN . . . . . 12 . HD# . . rr_1du1 1
146 2 OR . 1 1 12 12 LYS H H . . . 1 1 12 12 LYS HD3 H . . . . . 5.0 1.9 5.8 . . . . . A . 12 LYS H . . A . 12 LYS HD3 . . . 12 . HN . . . . . 12 . HD# . . rr_1du1 1
147 1 OR . 1 1 12 12 LYS H H . . . 1 1 11 11 ARG HD2 H . . . . . 5.0 1.9 5.8 . . . . . A . 12 LYS H . . A . 11 ARG HD2 . . . 12 . HN . . . . . 11 . HD# . . rr_1du1 1
147 2 OR . 1 1 12 12 LYS H H . . . 1 1 11 11 ARG HD3 H . . . . . 5.0 1.9 5.8 . . . . . A . 12 LYS H . . A . 11 ARG HD3 . . . 12 . HN . . . . . 11 . HD# . . rr_1du1 1
148 1 OR . 1 1 12 12 LYS H H . . . 1 1 12 12 LYS HG2 H . . . . . 5.0 1.9 5.8 . . . . . A . 12 LYS H . . A . 12 LYS HG2 . . . 12 . HN . . . . . 12 . HG# . . rr_1du1 1
148 2 OR . 1 1 12 12 LYS H H . . . 1 1 12 12 LYS HG3 H . . . . . 5.0 1.9 5.8 . . . . . A . 12 LYS H . . A . 12 LYS HG3 . . . 12 . HN . . . . . 12 . HG# . . rr_1du1 1
149 1 . . 1 1 13 13 ARG H H . . . 1 1 12 12 LYS HA H . . . . . 2.4 1.9 2.7 . . . . . A . 12 LYS HA . . A . 13 ARG H . . . 12 . HA . . . . . 13 . HN . . rr_1du1 1
150 1 OR . 1 1 12 12 LYS HA H . . . 1 1 11 11 ARG HD2 H . . . . . 5.0 1.9 5.8 . . . . . A . 12 LYS HA . . A . 11 ARG HD2 . . . 12 . HA . . . . . 11 . HD# . . rr_1du1 1
150 2 OR . 1 1 11 11 ARG HD3 H . . . 1 1 12 12 LYS HA H . . . . . 5.0 1.9 5.8 . . . . . A . 12 LYS HA . . A . 11 ARG HD3 . . . 12 . HA . . . . . 11 . HD# . . rr_1du1 1
151 1 . . 1 1 12 12 LYS HA H . . . 1 1 12 12 LYS HB3 H . . . . . 2.4 1.9 2.7 . . . . . A . 12 LYS HA . . A . 12 LYS HB3 . . . 12 . HA . . . . . 12 . HB1 . . rr_1du1 1
152 1 OR . 1 1 12 12 LYS HA H . . . 1 1 12 12 LYS HD2 H . . . . . 3.8 1.9 4.5 . . . . . A . 12 LYS HA . . A . 12 LYS HD2 . . . 12 . HA . . . . . 12 . HD# . . rr_1du1 1
152 2 OR . 1 1 12 12 LYS HD3 H . . . 1 1 12 12 LYS HA H . . . . . 3.8 1.9 4.5 . . . . . A . 12 LYS HA . . A . 12 LYS HD3 . . . 12 . HA . . . . . 12 . HD# . . rr_1du1 1
153 1 OR . 1 1 12 12 LYS HA H . . . 1 1 12 12 LYS HG2 H . . . . . 3.8 1.9 4.5 . . . . . A . 12 LYS HA . . A . 12 LYS HG2 . . . 12 . HA . . . . . 12 . HG# . . rr_1du1 1
153 2 OR . 1 1 12 12 LYS HG3 H . . . 1 1 12 12 LYS HA H . . . . . 3.8 1.9 4.5 . . . . . A . 12 LYS HA . . A . 12 LYS HG3 . . . 12 . HA . . . . . 12 . HG# . . rr_1du1 1
154 1 . . 1 1 13 13 ARG H H . . . 1 1 14 14 ARG H H . . . . . 5.0 1.9 5.8 . . . . . A . 13 ARG H . . A . 14 ARG H . . . 13 . HN . . . . . 14 . HN . . rr_1du1 1
155 1 OR . 1 1 13 13 ARG H H . . . 1 1 12 12 LYS HB3 H . . . . . 3.8 1.9 4.5 . . . . . A . 13 ARG H . . A . 12 LYS HB3 . . . 13 . HN . . . . . 12 . HB# . . rr_1du1 1
155 2 OR . 1 1 12 12 LYS HB2 H . . . 1 1 13 13 ARG H H . . . . . 3.8 1.9 4.5 . . . . . A . 13 ARG H . . A . 12 LYS HB2 . . . 13 . HN . . . . . 12 . HB# . . rr_1du1 1
156 1 OR . 1 1 13 13 ARG H H . . . 1 1 13 13 ARG HD2 H . . . . . 5.0 1.9 5.8 . . . . . A . 13 ARG H . . A . 13 ARG HD2 . . . 13 . HN . . . . . 13 . HD# . . rr_1du1 1
156 2 OR . 1 1 13 13 ARG H H . . . 1 1 13 13 ARG HD3 H . . . . . 5.0 1.9 5.8 . . . . . A . 13 ARG H . . A . 13 ARG HD3 . . . 13 . HN . . . . . 13 . HD# . . rr_1du1 1
157 1 OR . 1 1 10 10 GLU HA H . . . 1 1 13 13 ARG HE H . . . . . 5.0 1.9 5.8 . . . . . A . 13 ARG HE . . A . 10 GLU HA . . . 13 . HE . . . . . 10 . HA . . rr_1du1 1
157 2 OR . 1 1 9 9 GLU HA H . . . 1 1 13 13 ARG HE H . . . . . 5.0 1.9 5.8 . . . . . A . 13 ARG HE . . A . 9 GLU HA . . . 13 . HE . . . . . 9 . HA . . rr_1du1 1
158 1 OR . 1 1 13 13 ARG HE H . . . 1 1 9 9 GLU HG2 H . . . . . 5.0 1.9 5.8 . . . . . A . 13 ARG HE . . A . 9 GLU HG2 . . . 13 . HE . . . . . 9 . HG# . . rr_1du1 1
158 2 OR . 1 1 9 9 GLU HG3 H . . . 1 1 13 13 ARG HE H . . . . . 5.0 1.9 5.8 . . . . . A . 13 ARG HE . . A . 9 GLU HG3 . . . 13 . HE . . . . . 9 . HG# . . rr_1du1 1
159 1 OR . 1 1 13 13 ARG H H . . . 1 1 13 13 ARG HG2 H . . . . . 3.8 1.9 4.5 . . . . . A . 13 ARG H . . A . 13 ARG HG2 . . . 13 . HN . . . . . 13 . HG# . . rr_1du1 1
159 2 OR . 1 1 13 13 ARG H H . . . 1 1 13 13 ARG HG3 H . . . . . 3.8 1.9 4.5 . . . . . A . 13 ARG H . . A . 13 ARG HG3 . . . 13 . HN . . . . . 13 . HG# . . rr_1du1 1
160 1 OR . 1 1 13 13 ARG H H . . . 1 1 13 13 ARG HB2 H . . . . . 3.8 1.9 4.5 . . . . . A . 13 ARG H . . A . 13 ARG HB2 . . . 13 . HN . . . . . 13 . HB# . . rr_1du1 1
160 2 OR . 1 1 13 13 ARG HB3 H . . . 1 1 13 13 ARG H H . . . . . 3.8 1.9 4.5 . . . . . A . 13 ARG H . . A . 13 ARG HB3 . . . 13 . HN . . . . . 13 . HB# . . rr_1du1 1
161 1 . . 1 1 13 13 ARG H H . . . 1 1 13 13 ARG HA H . . . . . 2.4 1.9 2.7 . . . . . A . 13 ARG HA . . A . 13 ARG H . . . 13 . HA . . . . . 13 . HN . . rr_1du1 1
162 1 . . 1 1 14 14 ARG H H . . . 1 1 13 13 ARG HA H . . . . . 2.4 1.9 2.7 . . . . . A . 13 ARG HA . . A . 14 ARG H . . . 13 . HA . . . . . 14 . HN . . rr_1du1 1
163 1 . . 1 1 13 13 ARG HB3 H . . . 1 1 13 13 ARG HA H . . . . . 3.8 1.9 4.5 . . . . . A . 13 ARG HA . . A . 13 ARG HB3 . . . 13 . HA . . . . . 13 . HB1 . . rr_1du1 1
164 1 . . 1 1 13 13 ARG HA H . . . 1 1 13 13 ARG HB2 H . . . . . 2.4 1.9 2.7 . . . . . A . 13 ARG HA . . A . 13 ARG HB2 . . . 13 . HA . . . . . 13 . HB2 . . rr_1du1 1
165 1 OR . 1 1 13 13 ARG HA H . . . 1 1 13 13 ARG HG2 H . . . . . 3.8 1.9 4.5 . . . . . A . 13 ARG HA . . A . 13 ARG HG2 . . . 13 . HA . . . . . 13 . HG# . . rr_1du1 1
165 2 OR . 1 1 13 13 ARG HG3 H . . . 1 1 13 13 ARG HA H . . . . . 3.8 1.9 4.5 . . . . . A . 13 ARG HA . . A . 13 ARG HG3 . . . 13 . HA . . . . . 13 . HG# . . rr_1du1 1
166 1 OR . 1 1 13 13 ARG HA H . . . 1 1 13 13 ARG HD2 H . . . . . 3.8 1.9 4.5 . . . . . A . 13 ARG HA . . A . 13 ARG HD2 . . . 13 . HA . . . . . 13 . HD# . . rr_1du1 1
166 2 OR . 1 1 13 13 ARG HD3 H . . . 1 1 13 13 ARG HA H . . . . . 3.8 1.9 4.5 . . . . . A . 13 ARG HA . . A . 13 ARG HD3 . . . 13 . HA . . . . . 13 . HD# . . rr_1du1 1
167 1 . . 1 1 14 14 ARG H H . . . 1 1 14 14 ARG HA H . . . . . 2.4 1.9 2.7 . . . . . A . 14 ARG H . . A . 14 ARG HA . . . 14 . HN . . . . . 14 . HA . . rr_1du1 1
168 1 OR . 1 1 14 14 ARG H H . . . 1 1 14 14 ARG HB2 H . . . . . 2.4 1.9 2.7 . . . . . A . 14 ARG H . . A . 14 ARG HB2 . . . 14 . HN . . . . . 14 . HB# . . rr_1du1 1
168 2 OR . 1 1 14 14 ARG HB3 H . . . 1 1 14 14 ARG H H . . . . . 2.4 1.9 2.7 . . . . . A . 14 ARG H . . A . 14 ARG HB3 . . . 14 . HN . . . . . 14 . HB# . . rr_1du1 1
169 1 . . 1 1 11 11 ARG HA H . . . 1 1 14 14 ARG H H . . . . . 5.0 1.9 5.8 . . . . . A . 14 ARG H . . A . 11 ARG HA . . . 14 . HN . . . . . 11 . HA . . rr_1du1 1
170 1 OR . 1 1 11 11 ARG HA H . . . 1 1 14 14 ARG HE H . . . . . 5.0 1.9 5.8 . . . . . A . 14 ARG HE . . A . 11 ARG HA . . . 14 . HE . . . . . 11 . HA . . rr_1du1 1
170 2 OR . 1 1 10 10 GLU HA H . . . 1 1 14 14 ARG HE H . . . . . 5.0 1.9 5.8 . . . . . A . 14 ARG HE . . A . 10 GLU HA . . . 14 . HE . . . . . 10 . HA . . rr_1du1 1
171 1 OR . 1 1 14 14 ARG HE H . . . 1 1 10 10 GLU HG2 H . . . . . 5.0 1.9 5.8 . . . . . A . 14 ARG HE . . A . 10 GLU HG2 . . . 14 . HE . . . . . 10 . HG# . . rr_1du1 1
171 2 OR . 1 1 10 10 GLU HG3 H . . . 1 1 14 14 ARG HE H . . . . . 5.0 1.9 5.8 . . . . . A . 14 ARG HE . . A . 10 GLU HG3 . . . 14 . HE . . . . . 10 . HG# . . rr_1du1 1
172 1 OR . 1 1 14 14 ARG HA H . . . 1 1 14 14 ARG HB2 H . . . . . 3.8 1.9 4.5 . . . . . A . 14 ARG HA . . A . 14 ARG HB2 . . . 14 . HA . . . . . 14 . HB# . . rr_1du1 1
172 2 OR . 1 1 14 14 ARG HB3 H . . . 1 1 14 14 ARG HA H . . . . . 3.8 1.9 4.5 . . . . . A . 14 ARG HA . . A . 14 ARG HB3 . . . 14 . HA . . . . . 14 . HB# . . rr_1du1 1
173 1 OR . 1 1 14 14 ARG HA H . . . 1 1 14 14 ARG HG2 H . . . . . 3.8 1.9 4.5 . . . . . A . 14 ARG HA . . A . 14 ARG HG2 . . . 14 . HA . . . . . 14 . HG# . . rr_1du1 1
173 2 OR . 1 1 14 14 ARG HA H . . . 1 1 14 14 ARG HG3 H . . . . . 3.8 1.9 4.5 . . . . . A . 14 ARG HA . . A . 14 ARG HG3 . . . 14 . HA . . . . . 14 . HG# . . rr_1du1 1
174 1 OR . 1 1 14 14 ARG H H . . . 1 1 14 14 ARG HD2 H . . . . . 5.0 1.9 5.8 . . . . . A . 14 ARG HD2 . . A . 14 ARG H . . . 14 . HD# . . . . . 14 . HN . . rr_1du1 1
174 2 OR . 1 1 14 14 ARG H H . . . 1 1 14 14 ARG HD3 H . . . . . 5.0 1.9 5.8 . . . . . A . 14 ARG HD3 . . A . 14 ARG H . . . 14 . HD# . . . . . 14 . HN . . rr_1du1 1
175 1 . . 1 1 15 15 LYS H H . . . 1 1 16 16 MET H H . . . . . 2.8 1.9 3.5 . . . . . A . 15 LYS H . . A . 16 MET H . . . 15 . HN . . . . . 16 . HN . . rr_1du1 1
176 1 . . 1 1 15 15 LYS H H . . . 1 1 15 15 LYS HA H . . . . . 2.4 1.9 2.7 . . . . . A . 15 LYS H . . A . 15 LYS HA . . . 15 . HN . . . . . 15 . HA . . rr_1du1 1
177 1 . . 1 1 14 14 ARG HA H . . . 1 1 15 15 LYS H H . . . . . 2.8 1.9 3.5 . . . . . A . 15 LYS H . . A . 14 ARG HA . . . 15 . HN . . . . . 14 . HA . . rr_1du1 1
178 1 OR . 1 1 15 15 LYS H H . . . 1 1 15 15 LYS HG2 H . . . . . 5.0 1.9 5.8 . . . . . A . 15 LYS H . . A . 15 LYS HG2 . . . 15 . HN . . . . . 15 . HG# . . rr_1du1 1
178 2 OR . 1 1 15 15 LYS H H . . . 1 1 15 15 LYS HG3 H . . . . . 5.0 1.9 5.8 . . . . . A . 15 LYS H . . A . 15 LYS HG3 . . . 15 . HN . . . . . 15 . HG# . . rr_1du1 1
179 1 OR . 1 1 15 15 LYS H H . . . 1 1 15 15 LYS HD2 H . . . . . 3.8 1.9 4.5 . . . . . A . 15 LYS H . . A . 15 LYS HD2 . . . 15 . HN . . . . . 15 . HD# . . rr_1du1 1
179 2 OR . 1 1 15 15 LYS H H . . . 1 1 15 15 LYS HD3 H . . . . . 3.8 1.9 4.5 . . . . . A . 15 LYS H . . A . 15 LYS HD3 . . . 15 . HN . . . . . 15 . HD# . . rr_1du1 1
180 1 . . 1 1 16 16 MET H H . . . 1 1 15 15 LYS HA H . . . . . 2.4 1.9 2.7 . . . . . A . 15 LYS HA . . A . 16 MET H . . . 15 . HA . . . . . 16 . HN . . rr_1du1 1
181 1 OR . 1 1 15 15 LYS HA H . . . 1 1 15 15 LYS HB2 H . . . . . 2.4 1.9 2.7 . . . . . A . 15 LYS HA . . A . 15 LYS HB2 . . . 15 . HA . . . . . 15 . HB# . . rr_1du1 1
181 2 OR . 1 1 15 15 LYS HA H . . . 1 1 15 15 LYS HB3 H . . . . . 2.4 1.9 2.7 . . . . . A . 15 LYS HA . . A . 15 LYS HB3 . . . 15 . HA . . . . . 15 . HB# . . rr_1du1 1
182 1 OR . 1 1 15 15 LYS HA H . . . 1 1 15 15 LYS HD2 H . . . . . 3.8 1.9 4.5 . . . . . A . 15 LYS HA . . A . 15 LYS HD2 . . . 15 . HA . . . . . 15 . HD# . . rr_1du1 1
182 2 OR . 1 1 15 15 LYS HA H . . . 1 1 15 15 LYS HD3 H . . . . . 3.8 1.9 4.5 . . . . . A . 15 LYS HA . . A . 15 LYS HD3 . . . 15 . HA . . . . . 15 . HD# . . rr_1du1 1
183 1 OR . 1 1 15 15 LYS HA H . . . 1 1 15 15 LYS HG2 H . . . . . 2.8 1.9 3.5 . . . . . A . 15 LYS HA . . A . 15 LYS HG2 . . . 15 . HA . . . . . 15 . HG# . . rr_1du1 1
183 2 OR . 1 1 15 15 LYS HA H . . . 1 1 15 15 LYS HG3 H . . . . . 2.8 1.9 3.5 . . . . . A . 15 LYS HA . . A . 15 LYS HG3 . . . 15 . HA . . . . . 15 . HG# . . rr_1du1 1
184 1 . . 1 1 16 16 MET H H . . . 1 1 16 16 MET HA H . . . . . 2.8 1.9 3.5 . . . . . A . 16 MET H . . A . 16 MET HA . . . 16 . HN . . . . . 16 . HA . . rr_1du1 1
185 1 OR . 1 1 16 16 MET H H . . . 1 1 16 16 MET HG2 H . . . . . 5.0 1.9 5.8 . . . . . A . 16 MET H . . A . 16 MET HG2 . . . 16 . HN . . . . . 16 . HG# . . rr_1du1 1
185 2 OR . 1 1 16 16 MET H H . . . 1 1 16 16 MET HG3 H . . . . . 5.0 1.9 5.8 . . . . . A . 16 MET H . . A . 16 MET HG3 . . . 16 . HN . . . . . 16 . HG# . . rr_1du1 1
186 1 OR . 1 1 16 16 MET H H . . . 1 1 16 16 MET HB2 H . . . . . 3.8 1.9 4.5 . . . . . A . 16 MET H . . A . 16 MET HB2 . . . 16 . HN . . . . . 16 . HB# . . rr_1du1 1
186 2 OR . 1 1 16 16 MET H H . . . 1 1 16 16 MET HB3 H . . . . . 3.8 1.9 4.5 . . . . . A . 16 MET H . . A . 16 MET HB3 . . . 16 . HN . . . . . 16 . HB# . . rr_1du1 1
187 1 OR . 1 1 16 16 MET H H . . . 1 1 15 15 LYS HG2 H . . . . . 2.8 1.9 3.5 . . . . . A . 16 MET H . . A . 15 LYS HG2 . . . 16 . HN . . . . . 15 . HG# . . rr_1du1 1
187 2 OR . 1 1 16 16 MET H H . . . 1 1 15 15 LYS HG3 H . . . . . 2.8 1.9 3.5 . . . . . A . 16 MET H . . A . 15 LYS HG3 . . . 16 . HN . . . . . 15 . HG# . . rr_1du1 1
188 1 . . 1 1 16 16 MET HA H . . . 1 1 17 17 SER H H . . . . . 2.8 1.9 3.5 . . . . . A . 16 MET HA . . A . 17 SER H . . . 16 . HA . . . . . 17 . HN . . rr_1du1 1
189 1 OR . 1 1 16 16 MET HA H . . . 1 1 16 16 MET HB2 H . . . . . 5.0 1.9 5.8 . . . . . A . 16 MET HA . . A . 16 MET HB2 . . . 16 . HA . . . . . 16 . HB# . . rr_1du1 1
189 2 OR . 1 1 16 16 MET HA H . . . 1 1 16 16 MET HB3 H . . . . . 5.0 1.9 5.8 . . . . . A . 16 MET HA . . A . 16 MET HB3 . . . 16 . HA . . . . . 16 . HB# . . rr_1du1 1
190 1 . . 1 1 17 17 SER H H . . . 1 1 18 18 ARG H H . . . . . 2.8 1.9 3.5 . . . . . A . 17 SER H . . A . 18 ARG H . . . 17 . HN . . . . . 18 . HN . . rr_1du1 1
191 1 . . 1 1 17 17 SER H H . . . 1 1 17 17 SER HA H . . . . . 2.8 1.9 3.5 . . . . . A . 17 SER H . . A . 17 SER HA . . . 17 . HN . . . . . 17 . HA . . rr_1du1 1
192 1 OR . 1 1 17 17 SER H H . . . 1 1 17 17 SER HB2 H . . . . . 2.8 1.9 3.5 . . . . . A . 17 SER H . . A . 17 SER HB2 . . . 17 . HN . . . . . 17 . HB# . . rr_1du1 1
192 2 OR . 1 1 17 17 SER H H . . . 1 1 17 17 SER HB3 H . . . . . 2.8 1.9 3.5 . . . . . A . 17 SER H . . A . 17 SER HB3 . . . 17 . HN . . . . . 17 . HB# . . rr_1du1 1
193 1 OR . 1 1 17 17 SER H H . . . 1 1 16 16 MET HB2 H . . . . . 5.0 1.9 5.8 . . . . . A . 17 SER H . . A . 16 MET HB2 . . . 17 . HN . . . . . 16 . HB# . . rr_1du1 1
193 2 OR . 1 1 16 16 MET HB3 H . . . 1 1 17 17 SER H H . . . . . 5.0 1.9 5.8 . . . . . A . 17 SER H . . A . 16 MET HB3 . . . 17 . HN . . . . . 16 . HB# . . rr_1du1 1
194 1 . . 1 1 18 18 ARG H H . . . 1 1 17 17 SER HA H . . . . . 2.4 1.9 2.7 . . . . . A . 17 SER HA . . A . 18 ARG H . . . 17 . HA . . . . . 18 . HN . . rr_1du1 1
195 1 OR . 1 1 17 17 SER HA H . . . 1 1 17 17 SER HB2 H . . . . . 3.8 1.9 4.5 . . . . . A . 17 SER HA . . A . 17 SER HB2 . . . 17 . HA . . . . . 17 . HB# . . rr_1du1 1
195 2 OR . 1 1 17 17 SER HA H . . . 1 1 17 17 SER HB3 H . . . . . 3.8 1.9 4.5 . . . . . A . 17 SER HA . . A . 17 SER HB3 . . . 17 . HA . . . . . 17 . HB# . . rr_1du1 1
196 1 OR . 1 1 18 18 ARG H H . . . 1 1 17 17 SER HB2 H . . . . . 5.0 1.9 5.8 . . . . . A . 17 SER HB2 . . A . 18 ARG H . . . 17 . HB# . . . . . 18 . HN . . rr_1du1 1
196 2 OR . 1 1 18 18 ARG H H . . . 1 1 17 17 SER HB3 H . . . . . 5.0 1.9 5.8 . . . . . A . 17 SER HB3 . . A . 18 ARG H . . . 17 . HB# . . . . . 18 . HN . . rr_1du1 1
197 1 . . 1 1 18 18 ARG H H . . . 1 1 18 18 ARG HA H . . . . . 2.4 1.9 2.7 . . . . . A . 18 ARG H . . A . 18 ARG HA . . . 18 . HN . . . . . 18 . HA . . rr_1du1 1
198 1 . . 1 1 18 18 ARG H H . . . 1 1 20 20 LEU H H . . . . . 3.8 1.9 4.5 . . . . . A . 18 ARG H . . A . 20 LEU H . . . 18 . HN . . . . . 20 . HN . . rr_1du1 1
199 1 . . 1 1 15 15 LYS HA H . . . 1 1 18 18 ARG H H . . . . . 5.0 1.9 5.8 . . . . . A . 18 ARG H . . A . 15 LYS HA . . . 18 . HN . . . . . 15 . HA . . rr_1du1 1
200 1 OR . 1 1 18 18 ARG H H . . . 1 1 18 18 ARG HB2 H . . . . . 5.0 1.9 5.8 . . . . . A . 18 ARG H . . A . 18 ARG HB2 . . . 18 . HN . . . . . 18 . HB# . . rr_1du1 1
200 2 OR . 1 1 18 18 ARG H H . . . 1 1 18 18 ARG HB3 H . . . . . 5.0 1.9 5.8 . . . . . A . 18 ARG H . . A . 18 ARG HB3 . . . 18 . HN . . . . . 18 . HB# . . rr_1du1 1
201 1 OR . 1 1 18 18 ARG H H . . . 1 1 18 18 ARG HG2 H . . . . . 5.0 1.9 5.8 . . . . . A . 18 ARG H . . A . 18 ARG HG2 . . . 18 . HN . . . . . 18 . HG# . . rr_1du1 1
201 2 OR . 1 1 18 18 ARG H H . . . 1 1 18 18 ARG HG3 H . . . . . 5.0 1.9 5.8 . . . . . A . 18 ARG H . . A . 18 ARG HG3 . . . 18 . HN . . . . . 18 . HG# . . rr_1du1 1
202 1 . . 1 1 18 18 ARG HA H . . . 1 1 19 19 GLY H H . . . . . 2.8 1.9 3.5 . . . . . A . 18 ARG HA . . A . 19 GLY H . . . 18 . HA . . . . . 19 . HN . . rr_1du1 1
203 1 OR . 1 1 18 18 ARG HA H . . . 1 1 18 18 ARG HD2 H . . . . . 5.0 1.9 5.8 . . . . . A . 18 ARG HA . . A . 18 ARG HD2 . . . 18 . HA . . . . . 18 . HD# . . rr_1du1 1
203 2 OR . 1 1 18 18 ARG HA H . . . 1 1 18 18 ARG HD3 H . . . . . 5.0 1.9 5.8 . . . . . A . 18 ARG HA . . A . 18 ARG HD3 . . . 18 . HA . . . . . 18 . HD# . . rr_1du1 1
204 1 OR . 1 1 18 18 ARG HA H . . . 1 1 18 18 ARG HB2 H . . . . . 5.0 1.9 5.8 . . . . . A . 18 ARG HA . . A . 18 ARG HB2 . . . 18 . HA . . . . . 18 . HB# . . rr_1du1 1
204 2 OR . 1 1 18 18 ARG HA H . . . 1 1 18 18 ARG HB3 H . . . . . 5.0 1.9 5.8 . . . . . A . 18 ARG HA . . A . 18 ARG HB3 . . . 18 . HA . . . . . 18 . HB# . . rr_1du1 1
205 1 OR . 1 1 18 18 ARG HA H . . . 1 1 18 18 ARG HG2 H . . . . . 5.0 1.9 5.8 . . . . . A . 18 ARG HA . . A . 18 ARG HG2 . . . 18 . HA . . . . . 18 . HG# . . rr_1du1 1
205 2 OR . 1 1 18 18 ARG HA H . . . 1 1 18 18 ARG HG3 H . . . . . 5.0 1.9 5.8 . . . . . A . 18 ARG HA . . A . 18 ARG HG3 . . . 18 . HA . . . . . 18 . HG# . . rr_1du1 1
206 1 . . 1 1 20 20 LEU H H . . . 1 1 19 19 GLY H H . . . . . 3.8 1.9 4.5 . . . . . A . 19 GLY H . . A . 20 LEU H . . . 19 . HN . . . . . 20 . HN . . rr_1du1 1
207 1 OR . 1 1 19 19 GLY H H . . . 1 1 19 19 GLY HA2 H . . . . . 2.4 1.9 2.7 . . . . . A . 19 GLY H . . A . 19 GLY HA2 . . . 19 . HN . . . . . 19 . HA# . . rr_1du1 1
207 2 OR . 1 1 19 19 GLY H H . . . 1 1 19 19 GLY HA3 H . . . . . 2.4 1.9 2.7 . . . . . A . 19 GLY H . . A . 19 GLY HA3 . . . 19 . HN . . . . . 19 . HA# . . rr_1du1 1
208 1 OR . 1 1 20 20 LEU H H . . . 1 1 19 19 GLY HA2 H . . . . . 2.8 1.9 3.5 . . . . . A . 19 GLY HA2 . . A . 20 LEU H . . . 19 . HA# . . . . . 20 . HN . . rr_1du1 1
208 2 OR . 1 1 20 20 LEU H H . . . 1 1 19 19 GLY HA3 H . . . . . 2.8 1.9 3.5 . . . . . A . 19 GLY HA3 . . A . 20 LEU H . . . 19 . HA# . . . . . 20 . HN . . rr_1du1 1
209 1 OR . 1 1 20 20 LEU H H . . . 1 1 20 20 LEU HB2 H . . . . . 3.8 1.9 4.5 . . . . . A . 20 LEU H . . A . 20 LEU HB2 . . . 20 . HN . . . . . 20 . HB# . . rr_1du1 1
209 2 OR . 1 1 20 20 LEU H H . . . 1 1 20 20 LEU HB3 H . . . . . 3.8 1.9 4.5 . . . . . A . 20 LEU H . . A . 20 LEU HB3 . . . 20 . HN . . . . . 20 . HB# . . rr_1du1 1
210 1 OR . 1 1 20 20 LEU HA H . . . 1 1 20 20 LEU HB2 H . . . . . 3.8 1.9 4.5 . . . . . A . 20 LEU HA . . A . 20 LEU HB2 . . . 20 . HA . . . . . 20 . HB# . . rr_1du1 1
210 2 OR . 1 1 20 20 LEU HB3 H . . . 1 1 20 20 LEU HA H . . . . . 3.8 1.9 4.5 . . . . . A . 20 LEU HA . . A . 20 LEU HB3 . . . 20 . HA . . . . . 20 . HB# . . rr_1du1 1
211 1 OR . 1 1 20 20 LEU HB3 H . . . 1 1 20 20 LEU MD1 H . . . . . 2.4 1.9 2.7 . . . . . A . 20 LEU MD1 . . A . 20 LEU HB3 . . . 20 . HD# . . . . . 20 . HB# . . rr_1du1 1
211 2 OR . 1 1 20 20 LEU HB2 H . . . 1 1 20 20 LEU MD1 H . . . . . 2.4 1.9 2.7 . . . . . A . 20 LEU MD1 . . A . 20 LEU HB2 . . . 20 . HD# . . . . . 20 . HB# . . rr_1du1 1
211 3 OR . 1 1 20 20 LEU MD2 H . . . 1 1 20 20 LEU HB2 H . . . . . 2.4 1.9 2.7 . . . . . A . 20 LEU MD2 . . A . 20 LEU HB2 . . . 20 . HD# . . . . . 20 . HB# . . rr_1du1 1
211 4 OR . 1 1 20 20 LEU HB3 H . . . 1 1 20 20 LEU MD2 H . . . . . 2.4 1.9 2.7 . . . . . A . 20 LEU MD2 . . A . 20 LEU HB3 . . . 20 . HD# . . . . . 20 . HB# . . rr_1du1 1
212 1 . . 1 1 20 20 LEU HA H . . . 1 1 20 20 LEU HG H . . . . . 2.8 1.9 3.5 . . . . . A . 20 LEU HG . . A . 20 LEU HA . . . 20 . HG . . . . . 20 . HA . . rr_1du1 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_3
_Gen_dist_constraint_list.Entry_ID rr_1du1
_Gen_dist_constraint_list.ID 2
_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 3
loop_
_Gen_dist_constraint_software.Software_ID
_Gen_dist_constraint_software.Software_label
_Gen_dist_constraint_software.Method_ID
_Gen_dist_constraint_software.Method_label
_Gen_dist_constraint_software.Entry_ID
_Gen_dist_constraint_software.Gen_dist_constraint_list_ID
. . . . rr_1du1 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 1 1 THR OG1 O . . . 1 1 4 4 GLN N N . . . . . 3.3 2.5 3.5 . . . . . A . 1 THR OG1 . . A . 4 GLN N . . . 1 . OG1 . . . . . 4 . N . . rr_1du1 2
2 1 . . 1 1 4 4 GLN H H . . . 1 1 1 1 THR OG1 O . . . . . 2.3 1.8 2.5 . . . . . A . 1 THR OG1 . . A . 4 GLN H . . . 1 . OG1 . . . . . 4 . HN . . rr_1du1 2
3 1 . . 1 1 4 4 GLN O O . . . 1 1 7 7 LYS N N . . . . . 3.3 2.5 3.5 . . . . . A . 4 GLN O . . A . 7 LYS N . . . 4 . O . . . . . 7 . N . . rr_1du1 2
4 1 . . 1 1 7 7 LYS H H . . . 1 1 4 4 GLN O O . . . . . 2.3 1.8 2.5 . . . . . A . 4 GLN O . . A . 7 LYS H . . . 4 . O . . . . . 7 . HN . . rr_1du1 2
5 1 . . 1 1 6 6 ALA O O . . . 1 1 10 10 GLU N N . . . . . 3.3 2.5 3.5 . . . . . A . 6 ALA O . . A . 10 GLU N . . . 6 . O . . . . . 10 . N . . rr_1du1 2
6 1 . . 1 1 10 10 GLU H H . . . 1 1 6 6 ALA O O . . . . . 2.3 1.8 2.5 . . . . . A . 6 ALA O . . A . 10 GLU H . . . 6 . O . . . . . 10 . HN . . rr_1du1 2
stop_
save_
save_CNS/XPLOR_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_2_1
_Distance_constraint_list.Entry_ID rr_1du1
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Details "Generated by Wattos"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 2
loop_
_Distance_constraint_software.Software_ID
_Distance_constraint_software.Software_label
_Distance_constraint_software.Method_ID
_Distance_constraint_software.Method_label
_Distance_constraint_software.Entry_ID
_Distance_constraint_software.Distance_constraint_list_ID
. . . . rr_1du1 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_1du1 1
2 1 . . . rr_1du1 1
3 1 . . . rr_1du1 1
4 1 . . . rr_1du1 1
5 1 2 . OR rr_1du1 1
5 2 . 3 . rr_1du1 1
5 3 . . . rr_1du1 1
6 1 2 . OR rr_1du1 1
6 2 . 3 . rr_1du1 1
6 3 . . . rr_1du1 1
7 1 . . . rr_1du1 1
8 1 . . . rr_1du1 1
9 1 2 . OR rr_1du1 1
9 2 . 3 . rr_1du1 1
9 3 . . . rr_1du1 1
10 1 . . . rr_1du1 1
11 1 . . . rr_1du1 1
12 1 2 . OR rr_1du1 1
12 2 . 3 . rr_1du1 1
12 3 . . . rr_1du1 1
13 1 . . . rr_1du1 1
14 1 . . . rr_1du1 1
15 1 . . . rr_1du1 1
16 1 2 . OR rr_1du1 1
16 2 . 3 . rr_1du1 1
16 3 . . . rr_1du1 1
17 1 . . . rr_1du1 1
18 1 . . . rr_1du1 1
19 1 . . . rr_1du1 1
20 1 . . . rr_1du1 1
21 1 2 . OR rr_1du1 1
21 2 . 3 . rr_1du1 1
21 3 . . . rr_1du1 1
22 1 2 . OR rr_1du1 1
22 2 . 3 . rr_1du1 1
22 3 . . . rr_1du1 1
23 1 2 . OR rr_1du1 1
23 2 . 3 . rr_1du1 1
23 3 . . . rr_1du1 1
24 1 2 . OR rr_1du1 1
24 2 . 3 . rr_1du1 1
24 3 . . . rr_1du1 1
25 1 . . . rr_1du1 1
26 1 . . . rr_1du1 1
27 1 . . . rr_1du1 1
28 1 . . . rr_1du1 1
29 1 . . . rr_1du1 1
30 1 . . . rr_1du1 1
31 1 . . . rr_1du1 1
32 1 . . . rr_1du1 1
33 1 . . . rr_1du1 1
34 1 . . . rr_1du1 1
35 1 . . . rr_1du1 1
36 1 . . . rr_1du1 1
37 1 . . . rr_1du1 1
38 1 . . . rr_1du1 1
39 1 2 . OR rr_1du1 1
39 2 . 3 . rr_1du1 1
39 3 . . . rr_1du1 1
40 1 2 . OR rr_1du1 1
40 2 . 3 . rr_1du1 1
40 3 . . . rr_1du1 1
41 1 2 . OR rr_1du1 1
41 2 . 3 . rr_1du1 1
41 3 . . . rr_1du1 1
42 1 . . . rr_1du1 1
43 1 . . . rr_1du1 1
44 1 . . . rr_1du1 1
45 1 . . . rr_1du1 1
46 1 . . . rr_1du1 1
47 1 . . . rr_1du1 1
48 1 2 . OR rr_1du1 1
48 2 . 3 . rr_1du1 1
48 3 . . . rr_1du1 1
49 1 2 . OR rr_1du1 1
49 2 . 3 . rr_1du1 1
49 3 . . . rr_1du1 1
50 1 2 . OR rr_1du1 1
50 2 . 3 . rr_1du1 1
50 3 . . . rr_1du1 1
51 1 2 . OR rr_1du1 1
51 2 . 3 . rr_1du1 1
51 3 . . . rr_1du1 1
52 1 2 . OR rr_1du1 1
52 2 . 3 . rr_1du1 1
52 3 . . . rr_1du1 1
53 1 2 . OR rr_1du1 1
53 2 . 3 . rr_1du1 1
53 3 . 4 . rr_1du1 1
53 4 . 5 . rr_1du1 1
53 5 . . . rr_1du1 1
54 1 2 . OR rr_1du1 1
54 2 . 3 . rr_1du1 1
54 3 . . . rr_1du1 1
55 1 2 . OR rr_1du1 1
55 2 . 3 . rr_1du1 1
55 3 . 4 . rr_1du1 1
55 4 . 5 . rr_1du1 1
55 5 . . . rr_1du1 1
56 1 2 . OR rr_1du1 1
56 2 . 3 . rr_1du1 1
56 3 . 4 . rr_1du1 1
56 4 . 5 . rr_1du1 1
56 5 . . . rr_1du1 1
57 1 2 . OR rr_1du1 1
57 2 . 3 . rr_1du1 1
57 3 . . . rr_1du1 1
58 1 . . . rr_1du1 1
59 1 . . . rr_1du1 1
60 1 . . . rr_1du1 1
61 1 2 . OR rr_1du1 1
61 2 . 3 . rr_1du1 1
61 3 . . . rr_1du1 1
62 1 2 . OR rr_1du1 1
62 2 . 3 . rr_1du1 1
62 3 . . . rr_1du1 1
63 1 2 . OR rr_1du1 1
63 2 . 3 . rr_1du1 1
63 3 . . . rr_1du1 1
64 1 2 . OR rr_1du1 1
64 2 . 3 . rr_1du1 1
64 3 . . . rr_1du1 1
65 1 . . . rr_1du1 1
66 1 . . . rr_1du1 1
67 1 2 . OR rr_1du1 1
67 2 . 3 . rr_1du1 1
67 3 . . . rr_1du1 1
68 1 . . . rr_1du1 1
69 1 2 . OR rr_1du1 1
69 2 . 3 . rr_1du1 1
69 3 . . . rr_1du1 1
70 1 2 . OR rr_1du1 1
70 2 . 3 . rr_1du1 1
70 3 . . . rr_1du1 1
71 1 2 . OR rr_1du1 1
71 2 . 3 . rr_1du1 1
71 3 . . . rr_1du1 1
72 1 2 . OR rr_1du1 1
72 2 . 3 . rr_1du1 1
72 3 . 4 . rr_1du1 1
72 4 . 5 . rr_1du1 1
72 5 . . . rr_1du1 1
73 1 2 . OR rr_1du1 1
73 2 . 3 . rr_1du1 1
73 3 . 4 . rr_1du1 1
73 4 . 5 . rr_1du1 1
73 5 . . . rr_1du1 1
74 1 . . . rr_1du1 1
75 1 . . . rr_1du1 1
76 1 . . . rr_1du1 1
77 1 . . . rr_1du1 1
78 1 . . . rr_1du1 1
79 1 . . . rr_1du1 1
80 1 2 . OR rr_1du1 1
80 2 . 3 . rr_1du1 1
80 3 . . . rr_1du1 1
81 1 . . . rr_1du1 1
82 1 . . . rr_1du1 1
83 1 . . . rr_1du1 1
84 1 . . . rr_1du1 1
85 1 2 . OR rr_1du1 1
85 2 . 3 . rr_1du1 1
85 3 . . . rr_1du1 1
86 1 . . . rr_1du1 1
87 1 2 . OR rr_1du1 1
87 2 . 3 . rr_1du1 1
87 3 . . . rr_1du1 1
88 1 2 . OR rr_1du1 1
88 2 . 3 . rr_1du1 1
88 3 . . . rr_1du1 1
89 1 2 . OR rr_1du1 1
89 2 . 3 . rr_1du1 1
89 3 . . . rr_1du1 1
90 1 . . . rr_1du1 1
91 1 . . . rr_1du1 1
92 1 . . . rr_1du1 1
93 1 2 . OR rr_1du1 1
93 2 . 3 . rr_1du1 1
93 3 . . . rr_1du1 1
94 1 2 . OR rr_1du1 1
94 2 . 3 . rr_1du1 1
94 3 . . . rr_1du1 1
95 1 2 . OR rr_1du1 1
95 2 . 3 . rr_1du1 1
95 3 . . . rr_1du1 1
96 1 2 . OR rr_1du1 1
96 2 . 3 . rr_1du1 1
96 3 . . . rr_1du1 1
97 1 2 . OR rr_1du1 1
97 2 . 3 . rr_1du1 1
97 3 . . . rr_1du1 1
98 1 2 . OR rr_1du1 1
98 2 . 3 . rr_1du1 1
98 3 . . . rr_1du1 1
99 1 . . . rr_1du1 1
100 1 . . . rr_1du1 1
101 1 . . . rr_1du1 1
102 1 2 . OR rr_1du1 1
102 2 . 3 . rr_1du1 1
102 3 . . . rr_1du1 1
103 1 . . . rr_1du1 1
104 1 2 . OR rr_1du1 1
104 2 . 3 . rr_1du1 1
104 3 . . . rr_1du1 1
105 1 . . . rr_1du1 1
106 1 . . . rr_1du1 1
107 1 . . . rr_1du1 1
108 1 . . . rr_1du1 1
109 1 . . . rr_1du1 1
110 1 . . . rr_1du1 1
111 1 2 . OR rr_1du1 1
111 2 . 3 . rr_1du1 1
111 3 . . . rr_1du1 1
112 1 . . . rr_1du1 1
113 1 . . . rr_1du1 1
114 1 2 . OR rr_1du1 1
114 2 . 3 . rr_1du1 1
114 3 . . . rr_1du1 1
115 1 2 . OR rr_1du1 1
115 2 . 3 . rr_1du1 1
115 3 . . . rr_1du1 1
116 1 2 . OR rr_1du1 1
116 2 . 3 . rr_1du1 1
116 3 . . . rr_1du1 1
117 1 2 . OR rr_1du1 1
117 2 . 3 . rr_1du1 1
117 3 . 4 . rr_1du1 1
117 4 . 5 . rr_1du1 1
117 5 . . . rr_1du1 1
118 1 2 . OR rr_1du1 1
118 2 . 3 . rr_1du1 1
118 3 . 4 . rr_1du1 1
118 4 . 5 . rr_1du1 1
118 5 . . . rr_1du1 1
119 1 2 . OR rr_1du1 1
119 2 . 3 . rr_1du1 1
119 3 . 4 . rr_1du1 1
119 4 . 5 . rr_1du1 1
119 5 . . . rr_1du1 1
120 1 2 . OR rr_1du1 1
120 2 . 3 . rr_1du1 1
120 3 . . . rr_1du1 1
121 1 2 . OR rr_1du1 1
121 2 . 3 . rr_1du1 1
121 3 . 4 . rr_1du1 1
121 4 . 5 . rr_1du1 1
121 5 . . . rr_1du1 1
122 1 . . . rr_1du1 1
123 1 . . . rr_1du1 1
124 1 2 . OR rr_1du1 1
124 2 . 3 . rr_1du1 1
124 3 . . . rr_1du1 1
125 1 . . . rr_1du1 1
126 1 2 . OR rr_1du1 1
126 2 . 3 . rr_1du1 1
126 3 . . . rr_1du1 1
127 1 2 . OR rr_1du1 1
127 2 . 3 . rr_1du1 1
127 3 . . . rr_1du1 1
128 1 2 . OR rr_1du1 1
128 2 . 3 . rr_1du1 1
128 3 . 4 . rr_1du1 1
128 4 . 5 . rr_1du1 1
128 5 . . . rr_1du1 1
129 1 . . . rr_1du1 1
130 1 . . . rr_1du1 1
131 1 2 . OR rr_1du1 1
131 2 . 3 . rr_1du1 1
131 3 . . . rr_1du1 1
132 1 2 . OR rr_1du1 1
132 2 . 3 . rr_1du1 1
132 3 . . . rr_1du1 1
133 1 2 . OR rr_1du1 1
133 2 . 3 . rr_1du1 1
133 3 . . . rr_1du1 1
134 1 2 . OR rr_1du1 1
134 2 . 3 . rr_1du1 1
134 3 . . . rr_1du1 1
135 1 2 . OR rr_1du1 1
135 2 . 3 . rr_1du1 1
135 3 . . . rr_1du1 1
136 1 . . . rr_1du1 1
137 1 2 . OR rr_1du1 1
137 2 . 3 . rr_1du1 1
137 3 . . . rr_1du1 1
138 1 2 . OR rr_1du1 1
138 2 . 3 . rr_1du1 1
138 3 . . . rr_1du1 1
139 1 2 . OR rr_1du1 1
139 2 . 3 . rr_1du1 1
139 3 . . . rr_1du1 1
140 1 2 . OR rr_1du1 1
140 2 . 3 . rr_1du1 1
140 3 . . . rr_1du1 1
141 1 . . . rr_1du1 1
142 1 . . . rr_1du1 1
143 1 . . . rr_1du1 1
144 1 . . . rr_1du1 1
145 1 2 . OR rr_1du1 1
145 2 . 3 . rr_1du1 1
145 3 . . . rr_1du1 1
146 1 2 . OR rr_1du1 1
146 2 . 3 . rr_1du1 1
146 3 . . . rr_1du1 1
147 1 2 . OR rr_1du1 1
147 2 . 3 . rr_1du1 1
147 3 . . . rr_1du1 1
148 1 2 . OR rr_1du1 1
148 2 . 3 . rr_1du1 1
148 3 . . . rr_1du1 1
149 1 . . . rr_1du1 1
150 1 2 . OR rr_1du1 1
150 2 . 3 . rr_1du1 1
150 3 . . . rr_1du1 1
151 1 . . . rr_1du1 1
152 1 2 . OR rr_1du1 1
152 2 . 3 . rr_1du1 1
152 3 . . . rr_1du1 1
153 1 2 . OR rr_1du1 1
153 2 . 3 . rr_1du1 1
153 3 . . . rr_1du1 1
154 1 . . . rr_1du1 1
155 1 2 . OR rr_1du1 1
155 2 . 3 . rr_1du1 1
155 3 . . . rr_1du1 1
156 1 2 . OR rr_1du1 1
156 2 . 3 . rr_1du1 1
156 3 . . . rr_1du1 1
157 1 2 . OR rr_1du1 1
157 2 . 3 . rr_1du1 1
157 3 . . . rr_1du1 1
158 1 2 . OR rr_1du1 1
158 2 . 3 . rr_1du1 1
158 3 . . . rr_1du1 1
159 1 2 . OR rr_1du1 1
159 2 . 3 . rr_1du1 1
159 3 . . . rr_1du1 1
160 1 2 . OR rr_1du1 1
160 2 . 3 . rr_1du1 1
160 3 . . . rr_1du1 1
161 1 . . . rr_1du1 1
162 1 . . . rr_1du1 1
163 1 . . . rr_1du1 1
164 1 . . . rr_1du1 1
165 1 2 . OR rr_1du1 1
165 2 . 3 . rr_1du1 1
165 3 . . . rr_1du1 1
166 1 2 . OR rr_1du1 1
166 2 . 3 . rr_1du1 1
166 3 . . . rr_1du1 1
167 1 . . . rr_1du1 1
168 1 2 . OR rr_1du1 1
168 2 . 3 . rr_1du1 1
168 3 . . . rr_1du1 1
169 1 . . . rr_1du1 1
170 1 2 . OR rr_1du1 1
170 2 . 3 . rr_1du1 1
170 3 . . . rr_1du1 1
171 1 2 . OR rr_1du1 1
171 2 . 3 . rr_1du1 1
171 3 . . . rr_1du1 1
172 1 2 . OR rr_1du1 1
172 2 . 3 . rr_1du1 1
172 3 . . . rr_1du1 1
173 1 2 . OR rr_1du1 1
173 2 . 3 . rr_1du1 1
173 3 . . . rr_1du1 1
174 1 2 . OR rr_1du1 1
174 2 . 3 . rr_1du1 1
174 3 . . . rr_1du1 1
175 1 . . . rr_1du1 1
176 1 . . . rr_1du1 1
177 1 . . . rr_1du1 1
178 1 2 . OR rr_1du1 1
178 2 . 3 . rr_1du1 1
178 3 . . . rr_1du1 1
179 1 2 . OR rr_1du1 1
179 2 . 3 . rr_1du1 1
179 3 . . . rr_1du1 1
180 1 . . . rr_1du1 1
181 1 2 . OR rr_1du1 1
181 2 . 3 . rr_1du1 1
181 3 . . . rr_1du1 1
182 1 2 . OR rr_1du1 1
182 2 . 3 . rr_1du1 1
182 3 . . . rr_1du1 1
183 1 2 . OR rr_1du1 1
183 2 . 3 . rr_1du1 1
183 3 . . . rr_1du1 1
184 1 . . . rr_1du1 1
185 1 2 . OR rr_1du1 1
185 2 . 3 . rr_1du1 1
185 3 . . . rr_1du1 1
186 1 2 . OR rr_1du1 1
186 2 . 3 . rr_1du1 1
186 3 . . . rr_1du1 1
187 1 2 . OR rr_1du1 1
187 2 . 3 . rr_1du1 1
187 3 . . . rr_1du1 1
188 1 . . . rr_1du1 1
189 1 2 . OR rr_1du1 1
189 2 . 3 . rr_1du1 1
189 3 . . . rr_1du1 1
190 1 . . . rr_1du1 1
191 1 . . . rr_1du1 1
192 1 2 . OR rr_1du1 1
192 2 . 3 . rr_1du1 1
192 3 . . . rr_1du1 1
193 1 2 . OR rr_1du1 1
193 2 . 3 . rr_1du1 1
193 3 . . . rr_1du1 1
194 1 . . . rr_1du1 1
195 1 2 . OR rr_1du1 1
195 2 . 3 . rr_1du1 1
195 3 . . . rr_1du1 1
196 1 2 . OR rr_1du1 1
196 2 . 3 . rr_1du1 1
196 3 . . . rr_1du1 1
197 1 . . . rr_1du1 1
198 1 . . . rr_1du1 1
199 1 . . . rr_1du1 1
200 1 2 . OR rr_1du1 1
200 2 . 3 . rr_1du1 1
200 3 . . . rr_1du1 1
201 1 2 . OR rr_1du1 1
201 2 . 3 . rr_1du1 1
201 3 . . . rr_1du1 1
202 1 . . . rr_1du1 1
203 1 2 . OR rr_1du1 1
203 2 . 3 . rr_1du1 1
203 3 . . . rr_1du1 1
204 1 2 . OR rr_1du1 1
204 2 . 3 . rr_1du1 1
204 3 . . . rr_1du1 1
205 1 2 . OR rr_1du1 1
205 2 . 3 . rr_1du1 1
205 3 . . . rr_1du1 1
206 1 . . . rr_1du1 1
207 1 2 . OR rr_1du1 1
207 2 . 3 . rr_1du1 1
207 3 . . . rr_1du1 1
208 1 2 . OR rr_1du1 1
208 2 . 3 . rr_1du1 1
208 3 . . . rr_1du1 1
209 1 2 . OR rr_1du1 1
209 2 . 3 . rr_1du1 1
209 3 . . . rr_1du1 1
210 1 2 . OR rr_1du1 1
210 2 . 3 . rr_1du1 1
210 3 . . . rr_1du1 1
211 1 2 . OR rr_1du1 1
211 2 . 3 . rr_1du1 1
211 3 . 4 . rr_1du1 1
211 4 . 5 . rr_1du1 1
211 5 . . . rr_1du1 1
212 1 . . . rr_1du1 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Contribution_fractional_val
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Atom_type
_Dist_constraint.Atom_isotope_number
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_entity_assembly_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 . 1 . 1 1 1 1 THR H1 H . . . . 1 . HT# rr_1du1 1
1 1 . 2 . 1 1 2 2 SER H H . . . . 2 . HN rr_1du1 1
2 1 . 1 . 1 1 1 1 THR H1 H . . . . 1 . HT# rr_1du1 1
2 1 . 2 . 1 1 1 1 THR HA H . . . . 1 . HA rr_1du1 1
3 1 . 1 . 1 1 1 1 THR H1 H . . . . 1 . HT# rr_1du1 1
3 1 . 2 . 1 1 1 1 THR MG H . . . . 1 . HG2# rr_1du1 1
4 1 . 1 . 1 1 1 1 THR H1 H . . . . 1 . HT# rr_1du1 1
4 1 . 2 . 1 1 1 1 THR HB H . . . . 1 . HB rr_1du1 1
5 2 . 1 . 1 1 1 1 THR H1 H . . . . 1 . HT# rr_1du1 1
5 2 . 2 . 1 1 4 4 GLN HB2 H . . . . 4 . HB# rr_1du1 1
5 3 . 1 . 1 1 1 1 THR H1 H . . . . 1 . HT# rr_1du1 1
5 3 . 2 . 1 1 4 4 GLN HB3 H . . . . 4 . HB# rr_1du1 1
6 2 . 1 . 1 1 1 1 THR H1 H . . . . 1 . HT# rr_1du1 1
6 2 . 2 . 1 1 4 4 GLN HG2 H . . . . 4 . HG# rr_1du1 1
6 3 . 1 . 1 1 1 1 THR H1 H . . . . 1 . HT# rr_1du1 1
6 3 . 2 . 1 1 4 4 GLN HG3 H . . . . 4 . HG# rr_1du1 1
7 1 . 1 . 1 1 1 1 THR HA H . . . . 1 . HA rr_1du1 1
7 1 . 2 . 1 1 1 1 THR HB H . . . . 1 . HB rr_1du1 1
8 1 . 1 . 1 1 1 1 THR HA H . . . . 1 . HA rr_1du1 1
8 1 . 2 . 1 1 1 1 THR MG H . . . . 1 . HG2# rr_1du1 1
9 2 . 1 . 1 1 1 1 THR HA H . . . . 1 . HA rr_1du1 1
9 2 . 2 . 1 1 4 4 GLN HB2 H . . . . 4 . HB# rr_1du1 1
9 3 . 1 . 1 1 1 1 THR HA H . . . . 1 . HA rr_1du1 1
9 3 . 2 . 1 1 4 4 GLN HB3 H . . . . 4 . HB# rr_1du1 1
10 1 . 1 . 1 1 1 1 THR HB H . . . . 1 . HB rr_1du1 1
10 1 . 2 . 1 1 1 1 THR MG H . . . . 1 . HG2# rr_1du1 1
11 1 . 1 . 1 1 1 1 THR HB H . . . . 1 . HB rr_1du1 1
11 1 . 2 . 1 1 1 1 THR HA H . . . . 1 . HA rr_1du1 1
12 2 . 1 . 1 1 1 1 THR MG H . . . . 1 . HG2# rr_1du1 1
12 2 . 2 . 1 1 4 4 GLN HE22 H . . . . 4 . HE2# rr_1du1 1
12 3 . 1 . 1 1 1 1 THR MG H . . . . 1 . HG2# rr_1du1 1
12 3 . 2 . 1 1 4 4 GLN HE21 H . . . . 4 . HE2# rr_1du1 1
13 1 . 1 . 1 1 2 2 SER H H . . . . 2 . HN rr_1du1 1
13 1 . 2 . 1 1 3 3 ALA H H . . . . 3 . HN rr_1du1 1
14 1 . 1 . 1 1 2 2 SER H H . . . . 2 . HN rr_1du1 1
14 1 . 2 . 1 1 4 4 GLN H H . . . . 4 . HN rr_1du1 1
15 1 . 1 . 1 1 2 2 SER H H . . . . 2 . HN rr_1du1 1
15 1 . 2 . 1 1 2 2 SER HA H . . . . 2 . HA rr_1du1 1
16 2 . 1 . 1 1 2 2 SER H H . . . . 2 . HN rr_1du1 1
16 2 . 2 . 1 1 2 2 SER HB2 H . . . . 2 . HB# rr_1du1 1
16 3 . 1 . 1 1 2 2 SER H H . . . . 2 . HN rr_1du1 1
16 3 . 2 . 1 1 2 2 SER HB3 H . . . . 2 . HB# rr_1du1 1
17 1 . 1 . 1 1 2 2 SER H H . . . . 2 . HN rr_1du1 1
17 1 . 2 . 1 1 1 1 THR HB H . . . . 1 . HB rr_1du1 1
18 1 . 1 . 1 1 2 2 SER H H . . . . 2 . HN rr_1du1 1
18 1 . 2 . 1 1 1 1 THR HA H . . . . 1 . HA rr_1du1 1
19 1 . 1 . 1 1 2 2 SER H H . . . . 2 . HN rr_1du1 1
19 1 . 2 . 1 1 3 3 ALA MB H . . . . 3 . HB# rr_1du1 1
20 1 . 1 . 1 1 2 2 SER H H . . . . 2 . HN rr_1du1 1
20 1 . 2 . 1 1 1 1 THR MG H . . . . 1 . HG2# rr_1du1 1
21 2 . 1 . 1 1 2 2 SER H H . . . . 2 . HN rr_1du1 1
21 2 . 2 . 1 1 5 5 LYS HB2 H . . . . 5 . HB# rr_1du1 1
21 3 . 1 . 1 1 2 2 SER H H . . . . 2 . HN rr_1du1 1
21 3 . 2 . 1 1 5 5 LYS HB3 H . . . . 5 . HB# rr_1du1 1
22 2 . 1 . 1 1 2 2 SER HA H . . . . 2 . HA rr_1du1 1
22 2 . 2 . 1 1 2 2 SER HB2 H . . . . 2 . HB# rr_1du1 1
22 3 . 1 . 1 1 2 2 SER HA H . . . . 2 . HA rr_1du1 1
22 3 . 2 . 1 1 2 2 SER HB3 H . . . . 2 . HB# rr_1du1 1
23 2 . 1 . 1 1 2 2 SER HA H . . . . 2 . HA rr_1du1 1
23 2 . 2 . 1 1 5 5 LYS HB2 H . . . . 5 . HB# rr_1du1 1
23 3 . 1 . 1 1 2 2 SER HA H . . . . 2 . HA rr_1du1 1
23 3 . 2 . 1 1 5 5 LYS HB3 H . . . . 5 . HB# rr_1du1 1
24 2 . 1 . 1 1 2 2 SER HB2 H . . . . 2 . HB# rr_1du1 1
24 2 . 2 . 1 1 3 3 ALA H H . . . . 3 . HN rr_1du1 1
24 3 . 1 . 1 1 2 2 SER HB3 H . . . . 2 . HB# rr_1du1 1
24 3 . 2 . 1 1 3 3 ALA H H . . . . 3 . HN rr_1du1 1
25 1 . 1 . 1 1 3 3 ALA H H . . . . 3 . HN rr_1du1 1
25 1 . 2 . 1 1 4 4 GLN H H . . . . 4 . HN rr_1du1 1
26 1 . 1 . 1 1 3 3 ALA H H . . . . 3 . HN rr_1du1 1
26 1 . 2 . 1 1 5 5 LYS H H . . . . 5 . HN rr_1du1 1
27 1 . 1 . 1 1 3 3 ALA H H . . . . 3 . HN rr_1du1 1
27 1 . 2 . 1 1 3 3 ALA HA H . . . . 3 . HA rr_1du1 1
28 1 . 1 . 1 1 3 3 ALA H H . . . . 3 . HN rr_1du1 1
28 1 . 2 . 1 1 3 3 ALA MB H . . . . 3 . HB# rr_1du1 1
29 1 . 1 . 1 1 3 3 ALA H H . . . . 3 . HN rr_1du1 1
29 1 . 2 . 1 1 1 1 THR MG H . . . . 1 . HG2# rr_1du1 1
30 1 . 1 . 1 1 3 3 ALA HA H . . . . 3 . HA rr_1du1 1
30 1 . 2 . 1 1 4 4 GLN H H . . . . 4 . HN rr_1du1 1
31 1 . 1 . 1 1 3 3 ALA HA H . . . . 3 . HA rr_1du1 1
31 1 . 2 . 1 1 6 6 ALA H H . . . . 6 . HN rr_1du1 1
32 1 . 1 . 1 1 3 3 ALA HA H . . . . 3 . HA rr_1du1 1
32 1 . 2 . 1 1 3 3 ALA H H . . . . 3 . HN rr_1du1 1
33 1 . 1 . 1 1 3 3 ALA HA H . . . . 3 . HA rr_1du1 1
33 1 . 2 . 1 1 3 3 ALA MB H . . . . 3 . HB# rr_1du1 1
34 1 . 1 . 1 1 3 3 ALA HA H . . . . 3 . HA rr_1du1 1
34 1 . 2 . 1 1 6 6 ALA MB H . . . . 6 . HB# rr_1du1 1
35 1 . 1 . 1 1 3 3 ALA MB H . . . . 3 . HB# rr_1du1 1
35 1 . 2 . 1 1 3 3 ALA H H . . . . 3 . HN rr_1du1 1
36 1 . 1 . 1 1 4 4 GLN H H . . . . 4 . HN rr_1du1 1
36 1 . 2 . 1 1 5 5 LYS H H . . . . 5 . HN rr_1du1 1
37 1 . 1 . 1 1 4 4 GLN H H . . . . 4 . HN rr_1du1 1
37 1 . 2 . 1 1 6 6 ALA H H . . . . 6 . HN rr_1du1 1
38 1 . 1 . 1 1 4 4 GLN H H . . . . 4 . HN rr_1du1 1
38 1 . 2 . 1 1 4 4 GLN HA H . . . . 4 . HA rr_1du1 1
39 2 . 1 . 1 1 4 4 GLN H H . . . . 4 . HN rr_1du1 1
39 2 . 2 . 1 1 4 4 GLN HB2 H . . . . 4 . HB# rr_1du1 1
39 3 . 1 . 1 1 4 4 GLN H H . . . . 4 . HN rr_1du1 1
39 3 . 2 . 1 1 4 4 GLN HB3 H . . . . 4 . HB# rr_1du1 1
40 2 . 1 . 1 1 4 4 GLN H H . . . . 4 . HN rr_1du1 1
40 2 . 2 . 1 1 4 4 GLN HG2 H . . . . 4 . HG# rr_1du1 1
40 3 . 1 . 1 1 4 4 GLN H H . . . . 4 . HN rr_1du1 1
40 3 . 2 . 1 1 4 4 GLN HG3 H . . . . 4 . HG# rr_1du1 1
41 2 . 1 . 1 1 4 4 GLN H H . . . . 4 . HN rr_1du1 1
41 2 . 2 . 1 1 2 2 SER HB2 H . . . . 2 . HB# rr_1du1 1
41 3 . 1 . 1 1 4 4 GLN H H . . . . 4 . HN rr_1du1 1
41 3 . 2 . 1 1 2 2 SER HB3 H . . . . 2 . HB# rr_1du1 1
42 1 . 1 . 1 1 4 4 GLN H H . . . . 4 . HN rr_1du1 1
42 1 . 2 . 1 1 1 1 THR HB H . . . . 1 . HB rr_1du1 1
43 1 . 1 . 1 1 4 4 GLN H H . . . . 4 . HN rr_1du1 1
43 1 . 2 . 1 1 1 1 THR HA H . . . . 1 . HA rr_1du1 1
44 1 . 1 . 1 1 4 4 GLN H H . . . . 4 . HN rr_1du1 1
44 1 . 2 . 1 1 3 3 ALA MB H . . . . 3 . HB# rr_1du1 1
45 1 . 1 . 1 1 4 4 GLN H H . . . . 4 . HN rr_1du1 1
45 1 . 2 . 1 1 1 1 THR MG H . . . . 1 . HG2# rr_1du1 1
46 1 . 1 . 1 1 4 4 GLN HA H . . . . 4 . HA rr_1du1 1
46 1 . 2 . 1 1 5 5 LYS H H . . . . 5 . HN rr_1du1 1
47 1 . 1 . 1 1 4 4 GLN HA H . . . . 4 . HA rr_1du1 1
47 1 . 2 . 1 1 4 4 GLN H H . . . . 4 . HN rr_1du1 1
48 2 . 1 . 1 1 4 4 GLN HA H . . . . 4 . HA rr_1du1 1
48 2 . 2 . 1 1 4 4 GLN HG2 H . . . . 4 . HG# rr_1du1 1
48 3 . 1 . 1 1 4 4 GLN HA H . . . . 4 . HA rr_1du1 1
48 3 . 2 . 1 1 4 4 GLN HG3 H . . . . 4 . HG# rr_1du1 1
49 2 . 1 . 1 1 4 4 GLN HG2 H . . . . 4 . HG# rr_1du1 1
49 2 . 2 . 1 1 5 5 LYS H H . . . . 5 . HN rr_1du1 1
49 3 . 1 . 1 1 4 4 GLN HG3 H . . . . 4 . HG# rr_1du1 1
49 3 . 2 . 1 1 5 5 LYS H H . . . . 5 . HN rr_1du1 1
50 2 . 1 . 1 1 4 4 GLN HG2 H . . . . 4 . HG# rr_1du1 1
50 2 . 2 . 1 1 4 4 GLN H H . . . . 4 . HN rr_1du1 1
50 3 . 1 . 1 1 4 4 GLN HG3 H . . . . 4 . HG# rr_1du1 1
50 3 . 2 . 1 1 4 4 GLN H H . . . . 4 . HN rr_1du1 1
51 2 . 1 . 1 1 4 4 GLN HG2 H . . . . 4 . HG# rr_1du1 1
51 2 . 2 . 1 1 4 4 GLN HA H . . . . 4 . HA rr_1du1 1
51 3 . 1 . 1 1 4 4 GLN HG3 H . . . . 4 . HG# rr_1du1 1
51 3 . 2 . 1 1 4 4 GLN HA H . . . . 4 . HA rr_1du1 1
52 2 . 1 . 1 1 4 4 GLN HG2 H . . . . 4 . HG# rr_1du1 1
52 2 . 2 . 1 1 1 1 THR MG H . . . . 1 . HG2# rr_1du1 1
52 3 . 1 . 1 1 4 4 GLN HG3 H . . . . 4 . HG# rr_1du1 1
52 3 . 2 . 1 1 1 1 THR MG H . . . . 1 . HG2# rr_1du1 1
53 2 . 1 . 1 1 4 4 GLN HB2 H . . . . 4 . HB# rr_1du1 1
53 2 . 2 . 1 1 4 4 GLN HE22 H . . . . 4 . HE2# rr_1du1 1
53 3 . 1 . 1 1 4 4 GLN HB3 H . . . . 4 . HB# rr_1du1 1
53 3 . 2 . 1 1 4 4 GLN HE22 H . . . . 4 . HE2# rr_1du1 1
53 4 . 1 . 1 1 4 4 GLN HB2 H . . . . 4 . HB# rr_1du1 1
53 4 . 2 . 1 1 4 4 GLN HE21 H . . . . 4 . HE2# rr_1du1 1
53 5 . 1 . 1 1 4 4 GLN HB3 H . . . . 4 . HB# rr_1du1 1
53 5 . 2 . 1 1 4 4 GLN HE21 H . . . . 4 . HE2# rr_1du1 1
54 2 . 1 . 1 1 4 4 GLN HG2 H . . . . 4 . HG# rr_1du1 1
54 2 . 2 . 1 1 3 3 ALA MB H . . . . 3 . HB# rr_1du1 1
54 3 . 1 . 1 1 4 4 GLN HG3 H . . . . 4 . HG# rr_1du1 1
54 3 . 2 . 1 1 3 3 ALA MB H . . . . 3 . HB# rr_1du1 1
55 2 . 1 . 1 1 4 4 GLN HG3 H . . . . 4 . HG# rr_1du1 1
55 2 . 2 . 1 1 7 7 LYS HB2 H . . . . 7 . HB# rr_1du1 1
55 3 . 1 . 1 1 4 4 GLN HG2 H . . . . 4 . HG# rr_1du1 1
55 3 . 2 . 1 1 7 7 LYS HB3 H . . . . 7 . HB# rr_1du1 1
55 4 . 1 . 1 1 4 4 GLN HG3 H . . . . 4 . HG# rr_1du1 1
55 4 . 2 . 1 1 7 7 LYS HB3 H . . . . 7 . HB# rr_1du1 1
55 5 . 1 . 1 1 4 4 GLN HG2 H . . . . 4 . HG# rr_1du1 1
55 5 . 2 . 1 1 7 7 LYS HB2 H . . . . 7 . HB# rr_1du1 1
56 2 . 1 . 1 1 4 4 GLN HG2 H . . . . 4 . HG# rr_1du1 1
56 2 . 2 . 1 1 7 7 LYS HG2 H . . . . 7 . HG# rr_1du1 1
56 3 . 1 . 1 1 4 4 GLN HG3 H . . . . 4 . HG# rr_1du1 1
56 3 . 2 . 1 1 7 7 LYS HG2 H . . . . 7 . HG# rr_1du1 1
56 4 . 1 . 1 1 4 4 GLN HG2 H . . . . 4 . HG# rr_1du1 1
56 4 . 2 . 1 1 7 7 LYS HG3 H . . . . 7 . HG# rr_1du1 1
56 5 . 1 . 1 1 4 4 GLN HG3 H . . . . 4 . HG# rr_1du1 1
56 5 . 2 . 1 1 7 7 LYS HG3 H . . . . 7 . HG# rr_1du1 1
57 2 . 1 . 1 1 4 4 GLN HA H . . . . 4 . HA rr_1du1 1
57 2 . 2 . 1 1 7 7 LYS HB2 H . . . . 7 . HB# rr_1du1 1
57 3 . 1 . 1 1 4 4 GLN HA H . . . . 4 . HA rr_1du1 1
57 3 . 2 . 1 1 7 7 LYS HB3 H . . . . 7 . HB# rr_1du1 1
58 1 . 1 . 1 1 5 5 LYS H H . . . . 5 . HN rr_1du1 1
58 1 . 2 . 1 1 6 6 ALA H H . . . . 6 . HN rr_1du1 1
59 1 . 1 . 1 1 5 5 LYS H H . . . . 5 . HN rr_1du1 1
59 1 . 2 . 1 1 7 7 LYS H H . . . . 7 . HN rr_1du1 1
60 1 . 1 . 1 1 5 5 LYS H H . . . . 5 . HN rr_1du1 1
60 1 . 2 . 1 1 5 5 LYS HA H . . . . 5 . HA rr_1du1 1
61 2 . 1 . 1 1 5 5 LYS H H . . . . 5 . HN rr_1du1 1
61 2 . 2 . 1 1 4 4 GLN HG2 H . . . . 4 . HG# rr_1du1 1
61 3 . 1 . 1 1 5 5 LYS H H . . . . 5 . HN rr_1du1 1
61 3 . 2 . 1 1 4 4 GLN HG3 H . . . . 4 . HG# rr_1du1 1
62 2 . 1 . 1 1 5 5 LYS H H . . . . 5 . HN rr_1du1 1
62 2 . 2 . 1 1 4 4 GLN HB2 H . . . . 4 . HB# rr_1du1 1
62 3 . 1 . 1 1 5 5 LYS H H . . . . 5 . HN rr_1du1 1
62 3 . 2 . 1 1 4 4 GLN HB3 H . . . . 4 . HB# rr_1du1 1
63 2 . 1 . 1 1 5 5 LYS H H . . . . 5 . HN rr_1du1 1
63 2 . 2 . 1 1 5 5 LYS HB2 H . . . . 5 . HB# rr_1du1 1
63 3 . 1 . 1 1 5 5 LYS H H . . . . 5 . HN rr_1du1 1
63 3 . 2 . 1 1 5 5 LYS HB3 H . . . . 5 . HB# rr_1du1 1
64 2 . 1 . 1 1 5 5 LYS H H . . . . 5 . HN rr_1du1 1
64 2 . 2 . 1 1 5 5 LYS HD2 H . . . . 5 . HD# rr_1du1 1
64 3 . 1 . 1 1 5 5 LYS H H . . . . 5 . HN rr_1du1 1
64 3 . 2 . 1 1 5 5 LYS HD3 H . . . . 5 . HD# rr_1du1 1
65 1 . 1 . 1 1 5 5 LYS H H . . . . 5 . HN rr_1du1 1
65 1 . 2 . 1 1 2 2 SER HA H . . . . 2 . HA rr_1du1 1
66 1 . 1 . 1 1 5 5 LYS HA H . . . . 5 . HA rr_1du1 1
66 1 . 2 . 1 1 6 6 ALA H H . . . . 6 . HN rr_1du1 1
67 2 . 1 . 1 1 5 5 LYS HA H . . . . 5 . HA rr_1du1 1
67 2 . 2 . 1 1 5 5 LYS HE2 H . . . . 5 . HE# rr_1du1 1
67 3 . 1 . 1 1 5 5 LYS HA H . . . . 5 . HA rr_1du1 1
67 3 . 2 . 1 1 5 5 LYS HE3 H . . . . 5 . HE# rr_1du1 1
68 1 . 1 . 1 1 5 5 LYS HA H . . . . 5 . HA rr_1du1 1
68 1 . 2 . 1 1 8 8 ALA MB H . . . . 8 . HB# rr_1du1 1
69 2 . 1 . 1 1 5 5 LYS HB2 H . . . . 5 . HB# rr_1du1 1
69 2 . 2 . 1 1 5 5 LYS H H . . . . 5 . HN rr_1du1 1
69 3 . 1 . 1 1 5 5 LYS HB3 H . . . . 5 . HB# rr_1du1 1
69 3 . 2 . 1 1 5 5 LYS H H . . . . 5 . HN rr_1du1 1
70 2 . 1 . 1 1 5 5 LYS HG2 H . . . . 5 . HG# rr_1du1 1
70 2 . 2 . 1 1 5 5 LYS H H . . . . 5 . HN rr_1du1 1
70 3 . 1 . 1 1 5 5 LYS HG3 H . . . . 5 . HG# rr_1du1 1
70 3 . 2 . 1 1 5 5 LYS H H . . . . 5 . HN rr_1du1 1
71 2 . 1 . 1 1 5 5 LYS HG2 H . . . . 5 . HG# rr_1du1 1
71 2 . 2 . 1 1 5 5 LYS HA H . . . . 5 . HA rr_1du1 1
71 3 . 1 . 1 1 5 5 LYS HG3 H . . . . 5 . HG# rr_1du1 1
71 3 . 2 . 1 1 5 5 LYS HA H . . . . 5 . HA rr_1du1 1
72 2 . 1 . 1 1 5 5 LYS HG2 H . . . . 5 . HG# rr_1du1 1
72 2 . 2 . 1 1 5 5 LYS HB3 H . . . . 5 . HB# rr_1du1 1
72 3 . 1 . 1 1 5 5 LYS HG2 H . . . . 5 . HG# rr_1du1 1
72 3 . 2 . 1 1 5 5 LYS HB2 H . . . . 5 . HB# rr_1du1 1
72 4 . 1 . 1 1 5 5 LYS HG3 H . . . . 5 . HG# rr_1du1 1
72 4 . 2 . 1 1 5 5 LYS HB2 H . . . . 5 . HB# rr_1du1 1
72 5 . 1 . 1 1 5 5 LYS HG3 H . . . . 5 . HG# rr_1du1 1
72 5 . 2 . 1 1 5 5 LYS HB3 H . . . . 5 . HB# rr_1du1 1
73 2 . 1 . 1 1 5 5 LYS HG2 H . . . . 5 . HG# rr_1du1 1
73 2 . 2 . 1 1 5 5 LYS HD2 H . . . . 5 . HD# rr_1du1 1
73 3 . 1 . 1 1 5 5 LYS HG2 H . . . . 5 . HG# rr_1du1 1
73 3 . 2 . 1 1 5 5 LYS HD3 H . . . . 5 . HD# rr_1du1 1
73 4 . 1 . 1 1 5 5 LYS HG3 H . . . . 5 . HG# rr_1du1 1
73 4 . 2 . 1 1 5 5 LYS HD2 H . . . . 5 . HD# rr_1du1 1
73 5 . 1 . 1 1 5 5 LYS HG3 H . . . . 5 . HG# rr_1du1 1
73 5 . 2 . 1 1 5 5 LYS HD3 H . . . . 5 . HD# rr_1du1 1
74 1 . 1 . 1 1 6 6 ALA H H . . . . 6 . HN rr_1du1 1
74 1 . 2 . 1 1 7 7 LYS H H . . . . 7 . HN rr_1du1 1
75 1 . 1 . 1 1 6 6 ALA H H . . . . 6 . HN rr_1du1 1
75 1 . 2 . 1 1 8 8 ALA H H . . . . 8 . HN rr_1du1 1
76 1 . 1 . 1 1 6 6 ALA H H . . . . 6 . HN rr_1du1 1
76 1 . 2 . 1 1 6 6 ALA MB H . . . . 6 . HB# rr_1du1 1
77 1 . 1 . 1 1 6 6 ALA H H . . . . 6 . HN rr_1du1 1
77 1 . 2 . 1 1 6 6 ALA HA H . . . . 6 . HA rr_1du1 1
78 1 . 1 . 1 1 6 6 ALA H H . . . . 6 . HN rr_1du1 1
78 1 . 2 . 1 1 2 2 SER HA H . . . . 2 . HA rr_1du1 1
79 1 . 1 . 1 1 6 6 ALA H H . . . . 6 . HN rr_1du1 1
79 1 . 2 . 1 1 6 6 ALA MB H . . . . 6 . HB# rr_1du1 1
80 2 . 1 . 1 1 6 6 ALA HA H . . . . 6 . HA rr_1du1 1
80 2 . 2 . 1 1 9 9 GLU HB2 H . . . . 9 . HB# rr_1du1 1
80 3 . 1 . 1 1 6 6 ALA HA H . . . . 6 . HA rr_1du1 1
80 3 . 2 . 1 1 9 9 GLU HB3 H . . . . 9 . HB# rr_1du1 1
81 1 . 1 . 1 1 7 7 LYS H H . . . . 7 . HN rr_1du1 1
81 1 . 2 . 1 1 8 8 ALA H H . . . . 8 . HN rr_1du1 1
82 1 . 1 . 1 1 7 7 LYS H H . . . . 7 . HN rr_1du1 1
82 1 . 2 . 1 1 9 9 GLU H H . . . . 9 . HN rr_1du1 1
83 1 . 1 . 1 1 7 7 LYS H H . . . . 7 . HN rr_1du1 1
83 1 . 2 . 1 1 7 7 LYS HA H . . . . 7 . HA rr_1du1 1
84 1 . 1 . 1 1 7 7 LYS H H . . . . 7 . HN rr_1du1 1
84 1 . 2 . 1 1 6 6 ALA HA H . . . . 6 . HA rr_1du1 1
85 2 . 1 . 1 1 7 7 LYS H H . . . . 7 . HN rr_1du1 1
85 2 . 2 . 1 1 7 7 LYS HB2 H . . . . 7 . HB# rr_1du1 1
85 3 . 1 . 1 1 7 7 LYS H H . . . . 7 . HN rr_1du1 1
85 3 . 2 . 1 1 7 7 LYS HB3 H . . . . 7 . HB# rr_1du1 1
86 1 . 1 . 1 1 7 7 LYS H H . . . . 7 . HN rr_1du1 1
86 1 . 2 . 1 1 4 4 GLN HA H . . . . 4 . HA rr_1du1 1
87 2 . 1 . 1 1 7 7 LYS H H . . . . 7 . HN rr_1du1 1
87 2 . 2 . 1 1 7 7 LYS HD2 H . . . . 7 . HD# rr_1du1 1
87 3 . 1 . 1 1 7 7 LYS H H . . . . 7 . HN rr_1du1 1
87 3 . 2 . 1 1 7 7 LYS HD3 H . . . . 7 . HD# rr_1du1 1
88 2 . 1 . 1 1 7 7 LYS H H . . . . 7 . HN rr_1du1 1
88 2 . 2 . 1 1 7 7 LYS HG2 H . . . . 7 . HG# rr_1du1 1
88 3 . 1 . 1 1 7 7 LYS H H . . . . 7 . HN rr_1du1 1
88 3 . 2 . 1 1 7 7 LYS HG3 H . . . . 7 . HG# rr_1du1 1
89 2 . 1 . 1 1 7 7 LYS H H . . . . 7 . HN rr_1du1 1
89 2 . 2 . 1 1 7 7 LYS HG2 H . . . . 7 . HG# rr_1du1 1
89 3 . 1 . 1 1 7 7 LYS H H . . . . 7 . HN rr_1du1 1
89 3 . 2 . 1 1 7 7 LYS HG3 H . . . . 7 . HG# rr_1du1 1
90 1 . 1 . 1 1 7 7 LYS HA H . . . . 7 . HA rr_1du1 1
90 1 . 2 . 1 1 10 10 GLU H H . . . . 10 . HN rr_1du1 1
91 1 . 1 . 1 1 7 7 LYS HA H . . . . 7 . HA rr_1du1 1
91 1 . 2 . 1 1 8 8 ALA H H . . . . 8 . HN rr_1du1 1
92 1 . 1 . 1 1 7 7 LYS HA H . . . . 7 . HA rr_1du1 1
92 1 . 2 . 1 1 7 7 LYS H H . . . . 7 . HN rr_1du1 1
93 2 . 1 . 1 1 7 7 LYS HA H . . . . 7 . HA rr_1du1 1
93 2 . 2 . 1 1 7 7 LYS HE2 H . . . . 7 . HE# rr_1du1 1
93 3 . 1 . 1 1 7 7 LYS HA H . . . . 7 . HA rr_1du1 1
93 3 . 2 . 1 1 7 7 LYS HE3 H . . . . 7 . HE# rr_1du1 1
94 2 . 1 . 1 1 7 7 LYS HA H . . . . 7 . HA rr_1du1 1
94 2 . 2 . 1 1 7 7 LYS HB2 H . . . . 7 . HB# rr_1du1 1
94 3 . 1 . 1 1 7 7 LYS HA H . . . . 7 . HA rr_1du1 1
94 3 . 2 . 1 1 7 7 LYS HB3 H . . . . 7 . HB# rr_1du1 1
95 2 . 1 . 1 1 7 7 LYS HA H . . . . 7 . HA rr_1du1 1
95 2 . 2 . 1 1 7 7 LYS HD2 H . . . . 7 . HD# rr_1du1 1
95 3 . 1 . 1 1 7 7 LYS HA H . . . . 7 . HA rr_1du1 1
95 3 . 2 . 1 1 7 7 LYS HD3 H . . . . 7 . HD# rr_1du1 1
96 2 . 1 . 1 1 7 7 LYS HA H . . . . 7 . HA rr_1du1 1
96 2 . 2 . 1 1 7 7 LYS HG2 H . . . . 7 . HG# rr_1du1 1
96 3 . 1 . 1 1 7 7 LYS HA H . . . . 7 . HA rr_1du1 1
96 3 . 2 . 1 1 7 7 LYS HG3 H . . . . 7 . HG# rr_1du1 1
97 2 . 1 . 1 1 7 7 LYS HA H . . . . 7 . HA rr_1du1 1
97 2 . 2 . 1 1 7 7 LYS HG2 H . . . . 7 . HG# rr_1du1 1
97 3 . 1 . 1 1 7 7 LYS HA H . . . . 7 . HA rr_1du1 1
97 3 . 2 . 1 1 7 7 LYS HG3 H . . . . 7 . HG# rr_1du1 1
98 2 . 1 . 1 1 7 7 LYS HA H . . . . 7 . HA rr_1du1 1
98 2 . 2 . 1 1 10 10 GLU HB2 H . . . . 10 . HB# rr_1du1 1
98 3 . 1 . 1 1 7 7 LYS HA H . . . . 7 . HA rr_1du1 1
98 3 . 2 . 1 1 10 10 GLU HB3 H . . . . 10 . HB# rr_1du1 1
99 1 . 1 . 1 1 8 8 ALA H H . . . . 8 . HN rr_1du1 1
99 1 . 2 . 1 1 9 9 GLU H H . . . . 9 . HN rr_1du1 1
100 1 . 1 . 1 1 8 8 ALA H H . . . . 8 . HN rr_1du1 1
100 1 . 2 . 1 1 10 10 GLU H H . . . . 10 . HN rr_1du1 1
101 1 . 1 . 1 1 8 8 ALA H H . . . . 8 . HN rr_1du1 1
101 1 . 2 . 1 1 8 8 ALA HA H . . . . 8 . HA rr_1du1 1
102 2 . 1 . 1 1 8 8 ALA H H . . . . 8 . HN rr_1du1 1
102 2 . 2 . 1 1 9 9 GLU HG2 H . . . . 9 . HG# rr_1du1 1
102 3 . 1 . 1 1 8 8 ALA H H . . . . 8 . HN rr_1du1 1
102 3 . 2 . 1 1 9 9 GLU HG3 H . . . . 9 . HG# rr_1du1 1
103 1 . 1 . 1 1 8 8 ALA HA H . . . . 8 . HA rr_1du1 1
103 1 . 2 . 1 1 9 9 GLU H H . . . . 9 . HN rr_1du1 1
104 2 . 1 . 1 1 8 8 ALA HA H . . . . 8 . HA rr_1du1 1
104 2 . 2 . 1 1 11 11 ARG HB2 H . . . . 11 . HB# rr_1du1 1
104 3 . 1 . 1 1 8 8 ALA HA H . . . . 8 . HA rr_1du1 1
104 3 . 2 . 1 1 11 11 ARG HB3 H . . . . 11 . HB# rr_1du1 1
105 1 . 1 . 1 1 8 8 ALA HA H . . . . 8 . HA rr_1du1 1
105 1 . 2 . 1 1 8 8 ALA MB H . . . . 8 . HB# rr_1du1 1
106 1 . 1 . 1 1 8 8 ALA MB H . . . . 8 . HB# rr_1du1 1
106 1 . 2 . 1 1 8 8 ALA H H . . . . 8 . HN rr_1du1 1
107 1 . 1 . 1 1 9 9 GLU H H . . . . 9 . HN rr_1du1 1
107 1 . 2 . 1 1 10 10 GLU H H . . . . 10 . HN rr_1du1 1
108 1 . 1 . 1 1 9 9 GLU H H . . . . 9 . HN rr_1du1 1
108 1 . 2 . 1 1 11 11 ARG H H . . . . 11 . HN rr_1du1 1
109 1 . 1 . 1 1 9 9 GLU H H . . . . 9 . HN rr_1du1 1
109 1 . 2 . 1 1 9 9 GLU HA H . . . . 9 . HA rr_1du1 1
110 1 . 1 . 1 1 9 9 GLU H H . . . . 9 . HN rr_1du1 1
110 1 . 2 . 1 1 8 8 ALA HA H . . . . 8 . HA rr_1du1 1
111 2 . 1 . 1 1 9 9 GLU H H . . . . 9 . HN rr_1du1 1
111 2 . 2 . 1 1 9 9 GLU HG2 H . . . . 9 . HG# rr_1du1 1
111 3 . 1 . 1 1 9 9 GLU H H . . . . 9 . HN rr_1du1 1
111 3 . 2 . 1 1 9 9 GLU HG3 H . . . . 9 . HG# rr_1du1 1
112 1 . 1 . 1 1 9 9 GLU H H . . . . 9 . HN rr_1du1 1
112 1 . 2 . 1 1 6 6 ALA HA H . . . . 6 . HA rr_1du1 1
113 1 . 1 . 1 1 9 9 GLU HA H . . . . 9 . HA rr_1du1 1
113 1 . 2 . 1 1 10 10 GLU H H . . . . 10 . HN rr_1du1 1
114 2 . 1 . 1 1 9 9 GLU HA H . . . . 9 . HA rr_1du1 1
114 2 . 2 . 1 1 9 9 GLU HG2 H . . . . 9 . HG# rr_1du1 1
114 3 . 1 . 1 1 9 9 GLU HA H . . . . 9 . HA rr_1du1 1
114 3 . 2 . 1 1 9 9 GLU HG3 H . . . . 9 . HG# rr_1du1 1
115 2 . 1 . 1 1 9 9 GLU HB2 H . . . . 9 . HB# rr_1du1 1
115 2 . 2 . 1 1 9 9 GLU H H . . . . 9 . HN rr_1du1 1
115 3 . 1 . 1 1 9 9 GLU HB3 H . . . . 9 . HB# rr_1du1 1
115 3 . 2 . 1 1 9 9 GLU H H . . . . 9 . HN rr_1du1 1
116 2 . 1 . 1 1 9 9 GLU HB2 H . . . . 9 . HB# rr_1du1 1
116 2 . 2 . 1 1 10 10 GLU H H . . . . 10 . HN rr_1du1 1
116 3 . 1 . 1 1 9 9 GLU HB3 H . . . . 9 . HB# rr_1du1 1
116 3 . 2 . 1 1 10 10 GLU H H . . . . 10 . HN rr_1du1 1
117 2 . 1 . 1 1 9 9 GLU HB2 H . . . . 9 . HB# rr_1du1 1
117 2 . 2 . 1 1 5 5 LYS HD3 H . . . . 5 . HD# rr_1du1 1
117 3 . 1 . 1 1 9 9 GLU HB2 H . . . . 9 . HB# rr_1du1 1
117 3 . 2 . 1 1 5 5 LYS HD2 H . . . . 5 . HD# rr_1du1 1
117 4 . 1 . 1 1 9 9 GLU HB3 H . . . . 9 . HB# rr_1du1 1
117 4 . 2 . 1 1 5 5 LYS HD2 H . . . . 5 . HD# rr_1du1 1
117 5 . 1 . 1 1 9 9 GLU HB3 H . . . . 9 . HB# rr_1du1 1
117 5 . 2 . 1 1 5 5 LYS HD3 H . . . . 5 . HD# rr_1du1 1
118 2 . 1 . 1 1 9 9 GLU HG2 H . . . . 9 . HG# rr_1du1 1
118 2 . 2 . 1 1 5 5 LYS HB2 H . . . . 5 . HB# rr_1du1 1
118 3 . 1 . 1 1 9 9 GLU HG2 H . . . . 9 . HG# rr_1du1 1
118 3 . 2 . 1 1 5 5 LYS HB3 H . . . . 5 . HB# rr_1du1 1
118 4 . 1 . 1 1 9 9 GLU HG3 H . . . . 9 . HG# rr_1du1 1
118 4 . 2 . 1 1 5 5 LYS HB2 H . . . . 5 . HB# rr_1du1 1
118 5 . 1 . 1 1 9 9 GLU HG3 H . . . . 9 . HG# rr_1du1 1
118 5 . 2 . 1 1 5 5 LYS HB3 H . . . . 5 . HB# rr_1du1 1
119 2 . 1 . 1 1 9 9 GLU HG2 H . . . . 9 . HG# rr_1du1 1
119 2 . 2 . 1 1 5 5 LYS HG3 H . . . . 5 . HG# rr_1du1 1
119 3 . 1 . 1 1 9 9 GLU HG2 H . . . . 9 . HG# rr_1du1 1
119 3 . 2 . 1 1 5 5 LYS HG2 H . . . . 5 . HG# rr_1du1 1
119 4 . 1 . 1 1 9 9 GLU HG3 H . . . . 9 . HG# rr_1du1 1
119 4 . 2 . 1 1 5 5 LYS HG2 H . . . . 5 . HG# rr_1du1 1
119 5 . 1 . 1 1 9 9 GLU HG3 H . . . . 9 . HG# rr_1du1 1
119 5 . 2 . 1 1 5 5 LYS HG3 H . . . . 5 . HG# rr_1du1 1
120 2 . 1 . 1 1 9 9 GLU HG2 H . . . . 9 . HG# rr_1du1 1
120 2 . 2 . 1 1 10 10 GLU H H . . . . 10 . HN rr_1du1 1
120 3 . 1 . 1 1 9 9 GLU HG3 H . . . . 9 . HG# rr_1du1 1
120 3 . 2 . 1 1 10 10 GLU H H . . . . 10 . HN rr_1du1 1
121 2 . 1 . 1 1 9 9 GLU HG2 H . . . . 9 . HG# rr_1du1 1
121 2 . 2 . 1 1 12 12 LYS HB3 H . . . . 12 . HB# rr_1du1 1
121 3 . 1 . 1 1 9 9 GLU HG3 H . . . . 9 . HG# rr_1du1 1
121 3 . 2 . 1 1 12 12 LYS HB3 H . . . . 12 . HB# rr_1du1 1
121 4 . 1 . 1 1 9 9 GLU HG2 H . . . . 9 . HG# rr_1du1 1
121 4 . 2 . 1 1 12 12 LYS HB2 H . . . . 12 . HB# rr_1du1 1
121 5 . 1 . 1 1 9 9 GLU HG3 H . . . . 9 . HG# rr_1du1 1
121 5 . 2 . 1 1 12 12 LYS HB2 H . . . . 12 . HB# rr_1du1 1
122 1 . 1 . 1 1 10 10 GLU H H . . . . 10 . HN rr_1du1 1
122 1 . 2 . 1 1 11 11 ARG H H . . . . 11 . HN rr_1du1 1
123 1 . 1 . 1 1 10 10 GLU H H . . . . 10 . HN rr_1du1 1
123 1 . 2 . 1 1 10 10 GLU HA H . . . . 10 . HA rr_1du1 1
124 2 . 1 . 1 1 10 10 GLU H H . . . . 10 . HN rr_1du1 1
124 2 . 2 . 1 1 10 10 GLU HG2 H . . . . 10 . HG# rr_1du1 1
124 3 . 1 . 1 1 10 10 GLU H H . . . . 10 . HN rr_1du1 1
124 3 . 2 . 1 1 10 10 GLU HG3 H . . . . 10 . HG# rr_1du1 1
125 1 . 1 . 1 1 10 10 GLU HA H . . . . 10 . HA rr_1du1 1
125 1 . 2 . 1 1 11 11 ARG H H . . . . 11 . HN rr_1du1 1
126 2 . 1 . 1 1 10 10 GLU HA H . . . . 10 . HA rr_1du1 1
126 2 . 2 . 1 1 10 10 GLU HG2 H . . . . 10 . HG# rr_1du1 1
126 3 . 1 . 1 1 10 10 GLU HA H . . . . 10 . HA rr_1du1 1
126 3 . 2 . 1 1 10 10 GLU HG3 H . . . . 10 . HG# rr_1du1 1
127 2 . 1 . 1 1 10 10 GLU HA H . . . . 10 . HA rr_1du1 1
127 2 . 2 . 1 1 13 13 ARG HB2 H . . . . 13 . HB# rr_1du1 1
127 3 . 1 . 1 1 10 10 GLU HA H . . . . 10 . HA rr_1du1 1
127 3 . 2 . 1 1 13 13 ARG HB3 H . . . . 13 . HB# rr_1du1 1
128 2 . 1 . 1 1 10 10 GLU HB2 H . . . . 10 . HB# rr_1du1 1
128 2 . 2 . 1 1 14 14 ARG HB2 H . . . . 14 . HB# rr_1du1 1
128 3 . 1 . 1 1 10 10 GLU HB3 H . . . . 10 . HB# rr_1du1 1
128 3 . 2 . 1 1 14 14 ARG HB2 H . . . . 14 . HB# rr_1du1 1
128 4 . 1 . 1 1 10 10 GLU HB2 H . . . . 10 . HB# rr_1du1 1
128 4 . 2 . 1 1 14 14 ARG HB3 H . . . . 14 . HB# rr_1du1 1
128 5 . 1 . 1 1 10 10 GLU HB3 H . . . . 10 . HB# rr_1du1 1
128 5 . 2 . 1 1 14 14 ARG HB3 H . . . . 14 . HB# rr_1du1 1
129 1 . 1 . 1 1 11 11 ARG H H . . . . 11 . HN rr_1du1 1
129 1 . 2 . 1 1 12 12 LYS H H . . . . 12 . HN rr_1du1 1
130 1 . 1 . 1 1 11 11 ARG H H . . . . 11 . HN rr_1du1 1
130 1 . 2 . 1 1 11 11 ARG HA H . . . . 11 . HA rr_1du1 1
131 2 . 1 . 1 1 11 11 ARG H H . . . . 11 . HN rr_1du1 1
131 2 . 2 . 1 1 11 11 ARG HB2 H . . . . 11 . HB# rr_1du1 1
131 3 . 1 . 1 1 11 11 ARG H H . . . . 11 . HN rr_1du1 1
131 3 . 2 . 1 1 11 11 ARG HB3 H . . . . 11 . HB# rr_1du1 1
132 2 . 1 . 1 1 11 11 ARG H H . . . . 11 . HN rr_1du1 1
132 2 . 2 . 1 1 11 11 ARG HG2 H . . . . 11 . HG# rr_1du1 1
132 3 . 1 . 1 1 11 11 ARG H H . . . . 11 . HN rr_1du1 1
132 3 . 2 . 1 1 11 11 ARG HG3 H . . . . 11 . HG# rr_1du1 1
133 2 . 1 . 1 1 11 11 ARG H H . . . . 11 . HN rr_1du1 1
133 2 . 2 . 1 1 12 12 LYS HD2 H . . . . 12 . HD# rr_1du1 1
133 3 . 1 . 1 1 11 11 ARG H H . . . . 11 . HN rr_1du1 1
133 3 . 2 . 1 1 12 12 LYS HD3 H . . . . 12 . HD# rr_1du1 1
134 2 . 1 . 1 1 11 11 ARG H H . . . . 11 . HN rr_1du1 1
134 2 . 2 . 1 1 12 12 LYS HG2 H . . . . 12 . HG# rr_1du1 1
134 3 . 1 . 1 1 11 11 ARG H H . . . . 11 . HN rr_1du1 1
134 3 . 2 . 1 1 12 12 LYS HG3 H . . . . 12 . HG# rr_1du1 1
135 2 . 1 . 1 1 11 11 ARG H H . . . . 11 . HN rr_1du1 1
135 2 . 2 . 1 1 11 11 ARG HD2 H . . . . 11 . HD# rr_1du1 1
135 3 . 1 . 1 1 11 11 ARG H H . . . . 11 . HN rr_1du1 1
135 3 . 2 . 1 1 11 11 ARG HD3 H . . . . 11 . HD# rr_1du1 1
136 1 . 1 . 1 1 11 11 ARG HA H . . . . 11 . HA rr_1du1 1
136 1 . 2 . 1 1 12 12 LYS H H . . . . 12 . HN rr_1du1 1
137 2 . 1 . 1 1 11 11 ARG HA H . . . . 11 . HA rr_1du1 1
137 2 . 2 . 1 1 11 11 ARG HD2 H . . . . 11 . HD# rr_1du1 1
137 3 . 1 . 1 1 11 11 ARG HA H . . . . 11 . HA rr_1du1 1
137 3 . 2 . 1 1 11 11 ARG HD3 H . . . . 11 . HD# rr_1du1 1
138 2 . 1 . 1 1 11 11 ARG HA H . . . . 11 . HA rr_1du1 1
138 2 . 2 . 1 1 11 11 ARG HB2 H . . . . 11 . HB# rr_1du1 1
138 3 . 1 . 1 1 11 11 ARG HA H . . . . 11 . HA rr_1du1 1
138 3 . 2 . 1 1 11 11 ARG HB3 H . . . . 11 . HB# rr_1du1 1
139 2 . 1 . 1 1 11 11 ARG HA H . . . . 11 . HA rr_1du1 1
139 2 . 2 . 1 1 12 12 LYS HD2 H . . . . 12 . HD# rr_1du1 1
139 3 . 1 . 1 1 11 11 ARG HA H . . . . 11 . HA rr_1du1 1
139 3 . 2 . 1 1 12 12 LYS HD3 H . . . . 12 . HD# rr_1du1 1
140 2 . 1 . 1 1 11 11 ARG HE H . . . . 11 . HE rr_1du1 1
140 2 . 2 . 1 1 8 8 ALA HA H . . . . 8 . HA rr_1du1 1
140 3 . 1 . 1 1 11 11 ARG HE H . . . . 11 . HE rr_1du1 1
140 3 . 2 . 1 1 7 7 LYS HA H . . . . 7 . HA rr_1du1 1
141 1 . 1 . 1 1 12 12 LYS H H . . . . 12 . HN rr_1du1 1
141 1 . 2 . 1 1 13 13 ARG H H . . . . 13 . HN rr_1du1 1
142 1 . 1 . 1 1 12 12 LYS H H . . . . 12 . HN rr_1du1 1
142 1 . 2 . 1 1 12 12 LYS HA H . . . . 12 . HA rr_1du1 1
143 1 . 1 . 1 1 12 12 LYS H H . . . . 12 . HN rr_1du1 1
143 1 . 2 . 1 1 11 11 ARG HA H . . . . 11 . HA rr_1du1 1
144 1 . 1 . 1 1 12 12 LYS H H . . . . 12 . HN rr_1du1 1
144 1 . 2 . 1 1 10 10 GLU H H . . . . 10 . HN rr_1du1 1
145 2 . 1 . 1 1 12 12 LYS H H . . . . 12 . HN rr_1du1 1
145 2 . 2 . 1 1 12 12 LYS HB3 H . . . . 12 . HB# rr_1du1 1
145 3 . 1 . 1 1 12 12 LYS H H . . . . 12 . HN rr_1du1 1
145 3 . 2 . 1 1 12 12 LYS HB2 H . . . . 12 . HB# rr_1du1 1
146 2 . 1 . 1 1 12 12 LYS H H . . . . 12 . HN rr_1du1 1
146 2 . 2 . 1 1 12 12 LYS HD2 H . . . . 12 . HD# rr_1du1 1
146 3 . 1 . 1 1 12 12 LYS H H . . . . 12 . HN rr_1du1 1
146 3 . 2 . 1 1 12 12 LYS HD3 H . . . . 12 . HD# rr_1du1 1
147 2 . 1 . 1 1 12 12 LYS H H . . . . 12 . HN rr_1du1 1
147 2 . 2 . 1 1 11 11 ARG HD2 H . . . . 11 . HD# rr_1du1 1
147 3 . 1 . 1 1 12 12 LYS H H . . . . 12 . HN rr_1du1 1
147 3 . 2 . 1 1 11 11 ARG HD3 H . . . . 11 . HD# rr_1du1 1
148 2 . 1 . 1 1 12 12 LYS H H . . . . 12 . HN rr_1du1 1
148 2 . 2 . 1 1 12 12 LYS HG2 H . . . . 12 . HG# rr_1du1 1
148 3 . 1 . 1 1 12 12 LYS H H . . . . 12 . HN rr_1du1 1
148 3 . 2 . 1 1 12 12 LYS HG3 H . . . . 12 . HG# rr_1du1 1
149 1 . 1 . 1 1 12 12 LYS HA H . . . . 12 . HA rr_1du1 1
149 1 . 2 . 1 1 13 13 ARG H H . . . . 13 . HN rr_1du1 1
150 2 . 1 . 1 1 12 12 LYS HA H . . . . 12 . HA rr_1du1 1
150 2 . 2 . 1 1 11 11 ARG HD2 H . . . . 11 . HD# rr_1du1 1
150 3 . 1 . 1 1 12 12 LYS HA H . . . . 12 . HA rr_1du1 1
150 3 . 2 . 1 1 11 11 ARG HD3 H . . . . 11 . HD# rr_1du1 1
151 1 . 1 . 1 1 12 12 LYS HA H . . . . 12 . HA rr_1du1 1
151 1 . 2 . 1 1 12 12 LYS HB3 H . . . . 12 . HB1 rr_1du1 1
152 2 . 1 . 1 1 12 12 LYS HA H . . . . 12 . HA rr_1du1 1
152 2 . 2 . 1 1 12 12 LYS HD2 H . . . . 12 . HD# rr_1du1 1
152 3 . 1 . 1 1 12 12 LYS HA H . . . . 12 . HA rr_1du1 1
152 3 . 2 . 1 1 12 12 LYS HD3 H . . . . 12 . HD# rr_1du1 1
153 2 . 1 . 1 1 12 12 LYS HA H . . . . 12 . HA rr_1du1 1
153 2 . 2 . 1 1 12 12 LYS HG2 H . . . . 12 . HG# rr_1du1 1
153 3 . 1 . 1 1 12 12 LYS HA H . . . . 12 . HA rr_1du1 1
153 3 . 2 . 1 1 12 12 LYS HG3 H . . . . 12 . HG# rr_1du1 1
154 1 . 1 . 1 1 13 13 ARG H H . . . . 13 . HN rr_1du1 1
154 1 . 2 . 1 1 14 14 ARG H H . . . . 14 . HN rr_1du1 1
155 2 . 1 . 1 1 13 13 ARG H H . . . . 13 . HN rr_1du1 1
155 2 . 2 . 1 1 12 12 LYS HB3 H . . . . 12 . HB# rr_1du1 1
155 3 . 1 . 1 1 13 13 ARG H H . . . . 13 . HN rr_1du1 1
155 3 . 2 . 1 1 12 12 LYS HB2 H . . . . 12 . HB# rr_1du1 1
156 2 . 1 . 1 1 13 13 ARG H H . . . . 13 . HN rr_1du1 1
156 2 . 2 . 1 1 13 13 ARG HD2 H . . . . 13 . HD# rr_1du1 1
156 3 . 1 . 1 1 13 13 ARG H H . . . . 13 . HN rr_1du1 1
156 3 . 2 . 1 1 13 13 ARG HD3 H . . . . 13 . HD# rr_1du1 1
157 2 . 1 . 1 1 13 13 ARG HE H . . . . 13 . HE rr_1du1 1
157 2 . 2 . 1 1 10 10 GLU HA H . . . . 10 . HA rr_1du1 1
157 3 . 1 . 1 1 13 13 ARG HE H . . . . 13 . HE rr_1du1 1
157 3 . 2 . 1 1 9 9 GLU HA H . . . . 9 . HA rr_1du1 1
158 2 . 1 . 1 1 13 13 ARG HE H . . . . 13 . HE rr_1du1 1
158 2 . 2 . 1 1 9 9 GLU HG2 H . . . . 9 . HG# rr_1du1 1
158 3 . 1 . 1 1 13 13 ARG HE H . . . . 13 . HE rr_1du1 1
158 3 . 2 . 1 1 9 9 GLU HG3 H . . . . 9 . HG# rr_1du1 1
159 2 . 1 . 1 1 13 13 ARG H H . . . . 13 . HN rr_1du1 1
159 2 . 2 . 1 1 13 13 ARG HG2 H . . . . 13 . HG# rr_1du1 1
159 3 . 1 . 1 1 13 13 ARG H H . . . . 13 . HN rr_1du1 1
159 3 . 2 . 1 1 13 13 ARG HG3 H . . . . 13 . HG# rr_1du1 1
160 2 . 1 . 1 1 13 13 ARG H H . . . . 13 . HN rr_1du1 1
160 2 . 2 . 1 1 13 13 ARG HB2 H . . . . 13 . HB# rr_1du1 1
160 3 . 1 . 1 1 13 13 ARG H H . . . . 13 . HN rr_1du1 1
160 3 . 2 . 1 1 13 13 ARG HB3 H . . . . 13 . HB# rr_1du1 1
161 1 . 1 . 1 1 13 13 ARG HA H . . . . 13 . HA rr_1du1 1
161 1 . 2 . 1 1 13 13 ARG H H . . . . 13 . HN rr_1du1 1
162 1 . 1 . 1 1 13 13 ARG HA H . . . . 13 . HA rr_1du1 1
162 1 . 2 . 1 1 14 14 ARG H H . . . . 14 . HN rr_1du1 1
163 1 . 1 . 1 1 13 13 ARG HA H . . . . 13 . HA rr_1du1 1
163 1 . 2 . 1 1 13 13 ARG HB3 H . . . . 13 . HB1 rr_1du1 1
164 1 . 1 . 1 1 13 13 ARG HA H . . . . 13 . HA rr_1du1 1
164 1 . 2 . 1 1 13 13 ARG HB2 H . . . . 13 . HB2 rr_1du1 1
165 2 . 1 . 1 1 13 13 ARG HA H . . . . 13 . HA rr_1du1 1
165 2 . 2 . 1 1 13 13 ARG HG2 H . . . . 13 . HG# rr_1du1 1
165 3 . 1 . 1 1 13 13 ARG HA H . . . . 13 . HA rr_1du1 1
165 3 . 2 . 1 1 13 13 ARG HG3 H . . . . 13 . HG# rr_1du1 1
166 2 . 1 . 1 1 13 13 ARG HA H . . . . 13 . HA rr_1du1 1
166 2 . 2 . 1 1 13 13 ARG HD2 H . . . . 13 . HD# rr_1du1 1
166 3 . 1 . 1 1 13 13 ARG HA H . . . . 13 . HA rr_1du1 1
166 3 . 2 . 1 1 13 13 ARG HD3 H . . . . 13 . HD# rr_1du1 1
167 1 . 1 . 1 1 14 14 ARG H H . . . . 14 . HN rr_1du1 1
167 1 . 2 . 1 1 14 14 ARG HA H . . . . 14 . HA rr_1du1 1
168 2 . 1 . 1 1 14 14 ARG H H . . . . 14 . HN rr_1du1 1
168 2 . 2 . 1 1 14 14 ARG HB2 H . . . . 14 . HB# rr_1du1 1
168 3 . 1 . 1 1 14 14 ARG H H . . . . 14 . HN rr_1du1 1
168 3 . 2 . 1 1 14 14 ARG HB3 H . . . . 14 . HB# rr_1du1 1
169 1 . 1 . 1 1 14 14 ARG H H . . . . 14 . HN rr_1du1 1
169 1 . 2 . 1 1 11 11 ARG HA H . . . . 11 . HA rr_1du1 1
170 2 . 1 . 1 1 14 14 ARG HE H . . . . 14 . HE rr_1du1 1
170 2 . 2 . 1 1 11 11 ARG HA H . . . . 11 . HA rr_1du1 1
170 3 . 1 . 1 1 14 14 ARG HE H . . . . 14 . HE rr_1du1 1
170 3 . 2 . 1 1 10 10 GLU HA H . . . . 10 . HA rr_1du1 1
171 2 . 1 . 1 1 14 14 ARG HE H . . . . 14 . HE rr_1du1 1
171 2 . 2 . 1 1 10 10 GLU HG2 H . . . . 10 . HG# rr_1du1 1
171 3 . 1 . 1 1 14 14 ARG HE H . . . . 14 . HE rr_1du1 1
171 3 . 2 . 1 1 10 10 GLU HG3 H . . . . 10 . HG# rr_1du1 1
172 2 . 1 . 1 1 14 14 ARG HA H . . . . 14 . HA rr_1du1 1
172 2 . 2 . 1 1 14 14 ARG HB2 H . . . . 14 . HB# rr_1du1 1
172 3 . 1 . 1 1 14 14 ARG HA H . . . . 14 . HA rr_1du1 1
172 3 . 2 . 1 1 14 14 ARG HB3 H . . . . 14 . HB# rr_1du1 1
173 2 . 1 . 1 1 14 14 ARG HA H . . . . 14 . HA rr_1du1 1
173 2 . 2 . 1 1 14 14 ARG HG2 H . . . . 14 . HG# rr_1du1 1
173 3 . 1 . 1 1 14 14 ARG HA H . . . . 14 . HA rr_1du1 1
173 3 . 2 . 1 1 14 14 ARG HG3 H . . . . 14 . HG# rr_1du1 1
174 2 . 1 . 1 1 14 14 ARG HD2 H . . . . 14 . HD# rr_1du1 1
174 2 . 2 . 1 1 14 14 ARG H H . . . . 14 . HN rr_1du1 1
174 3 . 1 . 1 1 14 14 ARG HD3 H . . . . 14 . HD# rr_1du1 1
174 3 . 2 . 1 1 14 14 ARG H H . . . . 14 . HN rr_1du1 1
175 1 . 1 . 1 1 15 15 LYS H H . . . . 15 . HN rr_1du1 1
175 1 . 2 . 1 1 16 16 MET H H . . . . 16 . HN rr_1du1 1
176 1 . 1 . 1 1 15 15 LYS H H . . . . 15 . HN rr_1du1 1
176 1 . 2 . 1 1 15 15 LYS HA H . . . . 15 . HA rr_1du1 1
177 1 . 1 . 1 1 15 15 LYS H H . . . . 15 . HN rr_1du1 1
177 1 . 2 . 1 1 14 14 ARG HA H . . . . 14 . HA rr_1du1 1
178 2 . 1 . 1 1 15 15 LYS H H . . . . 15 . HN rr_1du1 1
178 2 . 2 . 1 1 15 15 LYS HG2 H . . . . 15 . HG# rr_1du1 1
178 3 . 1 . 1 1 15 15 LYS H H . . . . 15 . HN rr_1du1 1
178 3 . 2 . 1 1 15 15 LYS HG3 H . . . . 15 . HG# rr_1du1 1
179 2 . 1 . 1 1 15 15 LYS H H . . . . 15 . HN rr_1du1 1
179 2 . 2 . 1 1 15 15 LYS HD2 H . . . . 15 . HD# rr_1du1 1
179 3 . 1 . 1 1 15 15 LYS H H . . . . 15 . HN rr_1du1 1
179 3 . 2 . 1 1 15 15 LYS HD3 H . . . . 15 . HD# rr_1du1 1
180 1 . 1 . 1 1 15 15 LYS HA H . . . . 15 . HA rr_1du1 1
180 1 . 2 . 1 1 16 16 MET H H . . . . 16 . HN rr_1du1 1
181 2 . 1 . 1 1 15 15 LYS HA H . . . . 15 . HA rr_1du1 1
181 2 . 2 . 1 1 15 15 LYS HB2 H . . . . 15 . HB# rr_1du1 1
181 3 . 1 . 1 1 15 15 LYS HA H . . . . 15 . HA rr_1du1 1
181 3 . 2 . 1 1 15 15 LYS HB3 H . . . . 15 . HB# rr_1du1 1
182 2 . 1 . 1 1 15 15 LYS HA H . . . . 15 . HA rr_1du1 1
182 2 . 2 . 1 1 15 15 LYS HD2 H . . . . 15 . HD# rr_1du1 1
182 3 . 1 . 1 1 15 15 LYS HA H . . . . 15 . HA rr_1du1 1
182 3 . 2 . 1 1 15 15 LYS HD3 H . . . . 15 . HD# rr_1du1 1
183 2 . 1 . 1 1 15 15 LYS HA H . . . . 15 . HA rr_1du1 1
183 2 . 2 . 1 1 15 15 LYS HG2 H . . . . 15 . HG# rr_1du1 1
183 3 . 1 . 1 1 15 15 LYS HA H . . . . 15 . HA rr_1du1 1
183 3 . 2 . 1 1 15 15 LYS HG3 H . . . . 15 . HG# rr_1du1 1
184 1 . 1 . 1 1 16 16 MET H H . . . . 16 . HN rr_1du1 1
184 1 . 2 . 1 1 16 16 MET HA H . . . . 16 . HA rr_1du1 1
185 2 . 1 . 1 1 16 16 MET H H . . . . 16 . HN rr_1du1 1
185 2 . 2 . 1 1 16 16 MET HG2 H . . . . 16 . HG# rr_1du1 1
185 3 . 1 . 1 1 16 16 MET H H . . . . 16 . HN rr_1du1 1
185 3 . 2 . 1 1 16 16 MET HG3 H . . . . 16 . HG# rr_1du1 1
186 2 . 1 . 1 1 16 16 MET H H . . . . 16 . HN rr_1du1 1
186 2 . 2 . 1 1 16 16 MET HB2 H . . . . 16 . HB# rr_1du1 1
186 3 . 1 . 1 1 16 16 MET H H . . . . 16 . HN rr_1du1 1
186 3 . 2 . 1 1 16 16 MET HB3 H . . . . 16 . HB# rr_1du1 1
187 2 . 1 . 1 1 16 16 MET H H . . . . 16 . HN rr_1du1 1
187 2 . 2 . 1 1 15 15 LYS HG2 H . . . . 15 . HG# rr_1du1 1
187 3 . 1 . 1 1 16 16 MET H H . . . . 16 . HN rr_1du1 1
187 3 . 2 . 1 1 15 15 LYS HG3 H . . . . 15 . HG# rr_1du1 1
188 1 . 1 . 1 1 16 16 MET HA H . . . . 16 . HA rr_1du1 1
188 1 . 2 . 1 1 17 17 SER H H . . . . 17 . HN rr_1du1 1
189 2 . 1 . 1 1 16 16 MET HA H . . . . 16 . HA rr_1du1 1
189 2 . 2 . 1 1 16 16 MET HB2 H . . . . 16 . HB# rr_1du1 1
189 3 . 1 . 1 1 16 16 MET HA H . . . . 16 . HA rr_1du1 1
189 3 . 2 . 1 1 16 16 MET HB3 H . . . . 16 . HB# rr_1du1 1
190 1 . 1 . 1 1 17 17 SER H H . . . . 17 . HN rr_1du1 1
190 1 . 2 . 1 1 18 18 ARG H H . . . . 18 . HN rr_1du1 1
191 1 . 1 . 1 1 17 17 SER H H . . . . 17 . HN rr_1du1 1
191 1 . 2 . 1 1 17 17 SER HA H . . . . 17 . HA rr_1du1 1
192 2 . 1 . 1 1 17 17 SER H H . . . . 17 . HN rr_1du1 1
192 2 . 2 . 1 1 17 17 SER HB2 H . . . . 17 . HB# rr_1du1 1
192 3 . 1 . 1 1 17 17 SER H H . . . . 17 . HN rr_1du1 1
192 3 . 2 . 1 1 17 17 SER HB3 H . . . . 17 . HB# rr_1du1 1
193 2 . 1 . 1 1 17 17 SER H H . . . . 17 . HN rr_1du1 1
193 2 . 2 . 1 1 16 16 MET HB2 H . . . . 16 . HB# rr_1du1 1
193 3 . 1 . 1 1 17 17 SER H H . . . . 17 . HN rr_1du1 1
193 3 . 2 . 1 1 16 16 MET HB3 H . . . . 16 . HB# rr_1du1 1
194 1 . 1 . 1 1 17 17 SER HA H . . . . 17 . HA rr_1du1 1
194 1 . 2 . 1 1 18 18 ARG H H . . . . 18 . HN rr_1du1 1
195 2 . 1 . 1 1 17 17 SER HA H . . . . 17 . HA rr_1du1 1
195 2 . 2 . 1 1 17 17 SER HB2 H . . . . 17 . HB# rr_1du1 1
195 3 . 1 . 1 1 17 17 SER HA H . . . . 17 . HA rr_1du1 1
195 3 . 2 . 1 1 17 17 SER HB3 H . . . . 17 . HB# rr_1du1 1
196 2 . 1 . 1 1 17 17 SER HB2 H . . . . 17 . HB# rr_1du1 1
196 2 . 2 . 1 1 18 18 ARG H H . . . . 18 . HN rr_1du1 1
196 3 . 1 . 1 1 17 17 SER HB3 H . . . . 17 . HB# rr_1du1 1
196 3 . 2 . 1 1 18 18 ARG H H . . . . 18 . HN rr_1du1 1
197 1 . 1 . 1 1 18 18 ARG H H . . . . 18 . HN rr_1du1 1
197 1 . 2 . 1 1 18 18 ARG HA H . . . . 18 . HA rr_1du1 1
198 1 . 1 . 1 1 18 18 ARG H H . . . . 18 . HN rr_1du1 1
198 1 . 2 . 1 1 20 20 LEU H H . . . . 20 . HN rr_1du1 1
199 1 . 1 . 1 1 18 18 ARG H H . . . . 18 . HN rr_1du1 1
199 1 . 2 . 1 1 15 15 LYS HA H . . . . 15 . HA rr_1du1 1
200 2 . 1 . 1 1 18 18 ARG H H . . . . 18 . HN rr_1du1 1
200 2 . 2 . 1 1 18 18 ARG HB2 H . . . . 18 . HB# rr_1du1 1
200 3 . 1 . 1 1 18 18 ARG H H . . . . 18 . HN rr_1du1 1
200 3 . 2 . 1 1 18 18 ARG HB3 H . . . . 18 . HB# rr_1du1 1
201 2 . 1 . 1 1 18 18 ARG H H . . . . 18 . HN rr_1du1 1
201 2 . 2 . 1 1 18 18 ARG HG2 H . . . . 18 . HG# rr_1du1 1
201 3 . 1 . 1 1 18 18 ARG H H . . . . 18 . HN rr_1du1 1
201 3 . 2 . 1 1 18 18 ARG HG3 H . . . . 18 . HG# rr_1du1 1
202 1 . 1 . 1 1 18 18 ARG HA H . . . . 18 . HA rr_1du1 1
202 1 . 2 . 1 1 19 19 GLY H H . . . . 19 . HN rr_1du1 1
203 2 . 1 . 1 1 18 18 ARG HA H . . . . 18 . HA rr_1du1 1
203 2 . 2 . 1 1 18 18 ARG HD2 H . . . . 18 . HD# rr_1du1 1
203 3 . 1 . 1 1 18 18 ARG HA H . . . . 18 . HA rr_1du1 1
203 3 . 2 . 1 1 18 18 ARG HD3 H . . . . 18 . HD# rr_1du1 1
204 2 . 1 . 1 1 18 18 ARG HA H . . . . 18 . HA rr_1du1 1
204 2 . 2 . 1 1 18 18 ARG HB2 H . . . . 18 . HB# rr_1du1 1
204 3 . 1 . 1 1 18 18 ARG HA H . . . . 18 . HA rr_1du1 1
204 3 . 2 . 1 1 18 18 ARG HB3 H . . . . 18 . HB# rr_1du1 1
205 2 . 1 . 1 1 18 18 ARG HA H . . . . 18 . HA rr_1du1 1
205 2 . 2 . 1 1 18 18 ARG HG2 H . . . . 18 . HG# rr_1du1 1
205 3 . 1 . 1 1 18 18 ARG HA H . . . . 18 . HA rr_1du1 1
205 3 . 2 . 1 1 18 18 ARG HG3 H . . . . 18 . HG# rr_1du1 1
206 1 . 1 . 1 1 19 19 GLY H H . . . . 19 . HN rr_1du1 1
206 1 . 2 . 1 1 20 20 LEU H H . . . . 20 . HN rr_1du1 1
207 2 . 1 . 1 1 19 19 GLY H H . . . . 19 . HN rr_1du1 1
207 2 . 2 . 1 1 19 19 GLY HA2 H . . . . 19 . HA# rr_1du1 1
207 3 . 1 . 1 1 19 19 GLY H H . . . . 19 . HN rr_1du1 1
207 3 . 2 . 1 1 19 19 GLY HA3 H . . . . 19 . HA# rr_1du1 1
208 2 . 1 . 1 1 19 19 GLY HA2 H . . . . 19 . HA# rr_1du1 1
208 2 . 2 . 1 1 20 20 LEU H H . . . . 20 . HN rr_1du1 1
208 3 . 1 . 1 1 19 19 GLY HA3 H . . . . 19 . HA# rr_1du1 1
208 3 . 2 . 1 1 20 20 LEU H H . . . . 20 . HN rr_1du1 1
209 2 . 1 . 1 1 20 20 LEU H H . . . . 20 . HN rr_1du1 1
209 2 . 2 . 1 1 20 20 LEU HB2 H . . . . 20 . HB# rr_1du1 1
209 3 . 1 . 1 1 20 20 LEU H H . . . . 20 . HN rr_1du1 1
209 3 . 2 . 1 1 20 20 LEU HB3 H . . . . 20 . HB# rr_1du1 1
210 2 . 1 . 1 1 20 20 LEU HA H . . . . 20 . HA rr_1du1 1
210 2 . 2 . 1 1 20 20 LEU HB2 H . . . . 20 . HB# rr_1du1 1
210 3 . 1 . 1 1 20 20 LEU HA H . . . . 20 . HA rr_1du1 1
210 3 . 2 . 1 1 20 20 LEU HB3 H . . . . 20 . HB# rr_1du1 1
211 2 . 1 . 1 1 20 20 LEU MD1 H . . . . 20 . HD# rr_1du1 1
211 2 . 2 . 1 1 20 20 LEU HB3 H . . . . 20 . HB# rr_1du1 1
211 3 . 1 . 1 1 20 20 LEU MD1 H . . . . 20 . HD# rr_1du1 1
211 3 . 2 . 1 1 20 20 LEU HB2 H . . . . 20 . HB# rr_1du1 1
211 4 . 1 . 1 1 20 20 LEU MD2 H . . . . 20 . HD# rr_1du1 1
211 4 . 2 . 1 1 20 20 LEU HB2 H . . . . 20 . HB# rr_1du1 1
211 5 . 1 . 1 1 20 20 LEU MD2 H . . . . 20 . HD# rr_1du1 1
211 5 . 2 . 1 1 20 20 LEU HB3 H . . . . 20 . HB# rr_1du1 1
212 1 . 1 . 1 1 20 20 LEU HG H . . . . 20 . HG rr_1du1 1
212 1 . 2 . 1 1 20 20 LEU HA H . . . . 20 . HA rr_1du1 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Spectral_peak_list_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . 3.8 1.9 4.5 rr_1du1 1
2 1 . . . . . . 2.4 1.9 2.7 rr_1du1 1
3 1 . . . . . . 2.4 1.9 2.7 rr_1du1 1
4 1 . . . . . . 3.8 1.9 4.5 rr_1du1 1
5 2 . . . . . . 3.8 1.9 4.5 rr_1du1 1
5 3 . . . . . . 3.8 1.9 4.5 rr_1du1 1
6 2 . . . . . . 5.0 1.9 5.8 rr_1du1 1
6 3 . . . . . . 5.0 1.9 5.8 rr_1du1 1
7 1 . . . . . . 2.4 1.9 2.7 rr_1du1 1
8 1 . . . . . . 2.8 1.9 3.5 rr_1du1 1
9 2 . . . . . . 5.0 1.9 5.8 rr_1du1 1
9 3 . . . . . . 5.0 1.9 5.8 rr_1du1 1
10 1 . . . . . . 2.4 1.9 2.7 rr_1du1 1
11 1 . . . . . . 2.4 1.9 2.7 rr_1du1 1
12 2 . . . . . . 5.0 1.9 5.8 rr_1du1 1
12 3 . . . . . . 5.0 1.9 5.8 rr_1du1 1
13 1 . . . . . . 2.8 1.9 3.5 rr_1du1 1
14 1 . . . . . . 5.0 1.9 5.8 rr_1du1 1
15 1 . . . . . . 2.8 1.9 3.5 rr_1du1 1
16 2 . . . . . . 2.8 1.9 3.5 rr_1du1 1
16 3 . . . . . . 2.8 1.9 3.5 rr_1du1 1
17 1 . . . . . . 2.4 1.9 2.7 rr_1du1 1
18 1 . . . . . . 2.4 1.9 2.7 rr_1du1 1
19 1 . . . . . . 5.0 1.9 5.8 rr_1du1 1
20 1 . . . . . . 5.0 1.9 5.8 rr_1du1 1
21 2 . . . . . . 5.0 1.9 5.8 rr_1du1 1
21 3 . . . . . . 5.0 1.9 5.8 rr_1du1 1
22 2 . . . . . . 2.8 1.9 3.5 rr_1du1 1
22 3 . . . . . . 2.8 1.9 3.5 rr_1du1 1
23 2 . . . . . . 5.0 1.9 5.8 rr_1du1 1
23 3 . . . . . . 5.0 1.9 5.8 rr_1du1 1
24 2 . . . . . . 3.8 1.9 4.5 rr_1du1 1
24 3 . . . . . . 3.8 1.9 4.5 rr_1du1 1
25 1 . . . . . . 2.4 1.9 2.7 rr_1du1 1
26 1 . . . . . . 5.0 1.9 5.8 rr_1du1 1
27 1 . . . . . . 2.4 1.9 2.7 rr_1du1 1
28 1 . . . . . . 2.4 1.9 2.7 rr_1du1 1
29 1 . . . . . . 5.0 1.9 5.8 rr_1du1 1
30 1 . . . . . . 2.8 1.9 3.5 rr_1du1 1
31 1 . . . . . . 3.8 1.9 4.5 rr_1du1 1
32 1 . . . . . . 2.8 1.9 3.5 rr_1du1 1
33 1 . . . . . . 2.4 1.9 2.7 rr_1du1 1
34 1 . . . . . . 3.8 1.9 4.5 rr_1du1 1
35 1 . . . . . . 2.4 1.9 2.7 rr_1du1 1
36 1 . . . . . . 2.4 1.9 2.7 rr_1du1 1
37 1 . . . . . . 5.0 1.9 5.8 rr_1du1 1
38 1 . . . . . . 2.4 1.9 2.7 rr_1du1 1
39 2 . . . . . . 5.0 1.9 5.8 rr_1du1 1
39 3 . . . . . . 5.0 1.9 5.8 rr_1du1 1
40 2 . . . . . . 2.8 1.9 3.5 rr_1du1 1
40 3 . . . . . . 2.8 1.9 3.5 rr_1du1 1
41 2 . . . . . . 5.0 1.9 5.8 rr_1du1 1
41 3 . . . . . . 5.0 1.9 5.8 rr_1du1 1
42 1 . . . . . . 5.0 1.9 5.8 rr_1du1 1
43 1 . . . . . . 5.0 1.9 5.8 rr_1du1 1
44 1 . . . . . . 2.8 1.9 3.5 rr_1du1 1
45 1 . . . . . . 5.0 1.9 5.8 rr_1du1 1
46 1 . . . . . . 2.8 1.9 3.5 rr_1du1 1
47 1 . . . . . . 2.4 1.9 2.7 rr_1du1 1
48 2 . . . . . . 2.8 1.9 3.5 rr_1du1 1
48 3 . . . . . . 2.8 1.9 3.5 rr_1du1 1
49 2 . . . . . . 5.0 1.9 5.8 rr_1du1 1
49 3 . . . . . . 5.0 1.9 5.8 rr_1du1 1
50 2 . . . . . . 2.8 1.9 3.5 rr_1du1 1
50 3 . . . . . . 2.8 1.9 3.5 rr_1du1 1
51 2 . . . . . . 2.8 1.9 3.5 rr_1du1 1
51 3 . . . . . . 2.8 1.9 3.5 rr_1du1 1
52 2 . . . . . . 5.0 1.9 5.8 rr_1du1 1
52 3 . . . . . . 5.0 1.9 5.8 rr_1du1 1
53 2 . . . . . . 5.0 1.9 5.8 rr_1du1 1
53 3 . . . . . . 5.0 1.9 5.8 rr_1du1 1
53 4 . . . . . . 5.0 1.9 5.8 rr_1du1 1
53 5 . . . . . . 5.0 1.9 5.8 rr_1du1 1
54 2 . . . . . . 5.0 1.9 5.8 rr_1du1 1
54 3 . . . . . . 5.0 1.9 5.8 rr_1du1 1
55 2 . . . . . . 5.0 1.9 5.8 rr_1du1 1
55 3 . . . . . . 5.0 1.9 5.8 rr_1du1 1
55 4 . . . . . . 5.0 1.9 5.8 rr_1du1 1
55 5 . . . . . . 5.0 1.9 5.8 rr_1du1 1
56 2 . . . . . . 5.0 1.9 5.8 rr_1du1 1
56 3 . . . . . . 5.0 1.9 5.8 rr_1du1 1
56 4 . . . . . . 5.0 1.9 5.8 rr_1du1 1
56 5 . . . . . . 5.0 1.9 5.8 rr_1du1 1
57 2 . . . . . . 5.0 1.9 5.8 rr_1du1 1
57 3 . . . . . . 5.0 1.9 5.8 rr_1du1 1
58 1 . . . . . . 2.4 1.9 2.7 rr_1du1 1
59 1 . . . . . . 5.0 1.9 5.8 rr_1du1 1
60 1 . . . . . . 2.8 1.9 3.5 rr_1du1 1
61 2 . . . . . . 5.0 1.9 5.8 rr_1du1 1
61 3 . . . . . . 5.0 1.9 5.8 rr_1du1 1
62 2 . . . . . . 2.8 1.9 3.5 rr_1du1 1
62 3 . . . . . . 2.8 1.9 3.5 rr_1du1 1
63 2 . . . . . . 2.8 1.9 3.5 rr_1du1 1
63 3 . . . . . . 2.8 1.9 3.5 rr_1du1 1
64 2 . . . . . . 5.0 1.9 5.8 rr_1du1 1
64 3 . . . . . . 5.0 1.9 5.8 rr_1du1 1
65 1 . . . . . . 5.0 1.9 5.8 rr_1du1 1
66 1 . . . . . . 2.8 1.9 3.5 rr_1du1 1
67 2 . . . . . . 5.0 1.9 5.8 rr_1du1 1
67 3 . . . . . . 5.0 1.9 5.8 rr_1du1 1
68 1 . . . . . . 5.0 1.9 5.8 rr_1du1 1
69 2 . . . . . . 2.8 1.9 3.5 rr_1du1 1
69 3 . . . . . . 2.8 1.9 3.5 rr_1du1 1
70 2 . . . . . . 5.0 1.9 5.8 rr_1du1 1
70 3 . . . . . . 5.0 1.9 5.8 rr_1du1 1
71 2 . . . . . . 3.8 1.9 4.5 rr_1du1 1
71 3 . . . . . . 3.8 1.9 4.5 rr_1du1 1
72 2 . . . . . . 3.8 1.9 4.5 rr_1du1 1
72 3 . . . . . . 3.8 1.9 4.5 rr_1du1 1
72 4 . . . . . . 3.8 1.9 4.5 rr_1du1 1
72 5 . . . . . . 3.8 1.9 4.5 rr_1du1 1
73 2 . . . . . . 2.4 1.9 2.7 rr_1du1 1
73 3 . . . . . . 2.4 1.9 2.7 rr_1du1 1
73 4 . . . . . . 2.4 1.9 2.7 rr_1du1 1
73 5 . . . . . . 2.4 1.9 2.7 rr_1du1 1
74 1 . . . . . . 2.4 1.9 2.7 rr_1du1 1
75 1 . . . . . . 5.0 1.9 5.8 rr_1du1 1
76 1 . . . . . . 2.4 1.9 2.7 rr_1du1 1
77 1 . . . . . . 2.4 1.9 2.7 rr_1du1 1
78 1 . . . . . . 5.0 1.9 5.8 rr_1du1 1
79 1 . . . . . . 2.4 1.9 2.7 rr_1du1 1
80 2 . . . . . . 5.0 1.9 5.8 rr_1du1 1
80 3 . . . . . . 5.0 1.9 5.8 rr_1du1 1
81 1 . . . . . . 2.8 1.9 3.5 rr_1du1 1
82 1 . . . . . . 5.0 1.9 5.8 rr_1du1 1
83 1 . . . . . . 2.4 1.9 2.7 rr_1du1 1
84 1 . . . . . . 2.8 1.9 3.5 rr_1du1 1
85 2 . . . . . . 2.4 1.9 2.7 rr_1du1 1
85 3 . . . . . . 2.4 1.9 2.7 rr_1du1 1
86 1 . . . . . . 3.8 1.9 4.5 rr_1du1 1
87 2 . . . . . . 5.0 1.9 5.8 rr_1du1 1
87 3 . . . . . . 5.0 1.9 5.8 rr_1du1 1
88 2 . . . . . . 2.4 1.9 2.7 rr_1du1 1
88 3 . . . . . . 2.4 1.9 2.7 rr_1du1 1
89 2 . . . . . . 5.0 1.9 5.8 rr_1du1 1
89 3 . . . . . . 5.0 1.9 5.8 rr_1du1 1
90 1 . . . . . . 3.8 1.9 4.5 rr_1du1 1
91 1 . . . . . . 2.8 1.9 3.5 rr_1du1 1
92 1 . . . . . . 2.4 1.9 2.7 rr_1du1 1
93 2 . . . . . . 5.0 1.9 5.8 rr_1du1 1
93 3 . . . . . . 5.0 1.9 5.8 rr_1du1 1
94 2 . . . . . . 2.4 1.9 2.7 rr_1du1 1
94 3 . . . . . . 2.4 1.9 2.7 rr_1du1 1
95 2 . . . . . . 5.0 1.9 5.8 rr_1du1 1
95 3 . . . . . . 5.0 1.9 5.8 rr_1du1 1
96 2 . . . . . . 2.4 1.9 2.7 rr_1du1 1
96 3 . . . . . . 2.4 1.9 2.7 rr_1du1 1
97 2 . . . . . . 5.0 1.9 5.8 rr_1du1 1
97 3 . . . . . . 5.0 1.9 5.8 rr_1du1 1
98 2 . . . . . . 3.8 1.9 4.5 rr_1du1 1
98 3 . . . . . . 3.8 1.9 4.5 rr_1du1 1
99 1 . . . . . . 2.4 1.9 2.7 rr_1du1 1
100 1 . . . . . . 5.0 1.9 5.8 rr_1du1 1
101 1 . . . . . . 2.4 1.9 2.7 rr_1du1 1
102 2 . . . . . . 5.0 1.9 5.8 rr_1du1 1
102 3 . . . . . . 5.0 1.9 5.8 rr_1du1 1
103 1 . . . . . . 2.4 1.9 2.7 rr_1du1 1
104 2 . . . . . . 5.0 1.9 5.8 rr_1du1 1
104 3 . . . . . . 5.0 1.9 5.8 rr_1du1 1
105 1 . . . . . . 2.4 1.9 2.7 rr_1du1 1
106 1 . . . . . . 2.4 1.9 2.7 rr_1du1 1
107 1 . . . . . . 2.8 1.9 3.5 rr_1du1 1
108 1 . . . . . . 5.0 1.9 5.8 rr_1du1 1
109 1 . . . . . . 2.4 1.9 2.7 rr_1du1 1
110 1 . . . . . . 2.4 1.9 2.7 rr_1du1 1
111 2 . . . . . . 2.8 1.9 3.5 rr_1du1 1
111 3 . . . . . . 2.8 1.9 3.5 rr_1du1 1
112 1 . . . . . . 5.0 1.9 5.8 rr_1du1 1
113 1 . . . . . . 2.8 1.9 3.5 rr_1du1 1
114 2 . . . . . . 2.8 1.9 3.5 rr_1du1 1
114 3 . . . . . . 2.8 1.9 3.5 rr_1du1 1
115 2 . . . . . . 3.8 1.9 4.5 rr_1du1 1
115 3 . . . . . . 3.8 1.9 4.5 rr_1du1 1
116 2 . . . . . . 2.8 1.9 3.5 rr_1du1 1
116 3 . . . . . . 2.8 1.9 3.5 rr_1du1 1
117 2 . . . . . . 5.0 1.9 5.8 rr_1du1 1
117 3 . . . . . . 5.0 1.9 5.8 rr_1du1 1
117 4 . . . . . . 5.0 1.9 5.8 rr_1du1 1
117 5 . . . . . . 5.0 1.9 5.8 rr_1du1 1
118 2 . . . . . . 5.0 1.9 5.8 rr_1du1 1
118 3 . . . . . . 5.0 1.9 5.8 rr_1du1 1
118 4 . . . . . . 5.0 1.9 5.8 rr_1du1 1
118 5 . . . . . . 5.0 1.9 5.8 rr_1du1 1
119 2 . . . . . . 5.0 1.9 5.8 rr_1du1 1
119 3 . . . . . . 5.0 1.9 5.8 rr_1du1 1
119 4 . . . . . . 5.0 1.9 5.8 rr_1du1 1
119 5 . . . . . . 5.0 1.9 5.8 rr_1du1 1
120 2 . . . . . . 2.8 1.9 3.5 rr_1du1 1
120 3 . . . . . . 2.8 1.9 3.5 rr_1du1 1
121 2 . . . . . . 5.0 1.9 5.8 rr_1du1 1
121 3 . . . . . . 5.0 1.9 5.8 rr_1du1 1
121 4 . . . . . . 5.0 1.9 5.8 rr_1du1 1
121 5 . . . . . . 5.0 1.9 5.8 rr_1du1 1
122 1 . . . . . . 3.8 1.9 4.5 rr_1du1 1
123 1 . . . . . . 2.4 1.9 2.7 rr_1du1 1
124 2 . . . . . . 5.0 1.9 5.8 rr_1du1 1
124 3 . . . . . . 5.0 1.9 5.8 rr_1du1 1
125 1 . . . . . . 2.4 1.9 2.7 rr_1du1 1
126 2 . . . . . . 3.8 1.9 4.5 rr_1du1 1
126 3 . . . . . . 3.8 1.9 4.5 rr_1du1 1
127 2 . . . . . . 5.0 1.9 5.8 rr_1du1 1
127 3 . . . . . . 5.0 1.9 5.8 rr_1du1 1
128 2 . . . . . . 5.0 1.9 5.8 rr_1du1 1
128 3 . . . . . . 5.0 1.9 5.8 rr_1du1 1
128 4 . . . . . . 5.0 1.9 5.8 rr_1du1 1
128 5 . . . . . . 5.0 1.9 5.8 rr_1du1 1
129 1 . . . . . . 2.8 1.9 3.5 rr_1du1 1
130 1 . . . . . . 2.4 1.9 2.7 rr_1du1 1
131 2 . . . . . . 2.8 1.9 3.5 rr_1du1 1
131 3 . . . . . . 2.8 1.9 3.5 rr_1du1 1
132 2 . . . . . . 3.8 1.9 4.5 rr_1du1 1
132 3 . . . . . . 3.8 1.9 4.5 rr_1du1 1
133 2 . . . . . . 5.0 1.9 5.8 rr_1du1 1
133 3 . . . . . . 5.0 1.9 5.8 rr_1du1 1
134 2 . . . . . . 5.0 1.9 5.8 rr_1du1 1
134 3 . . . . . . 5.0 1.9 5.8 rr_1du1 1
135 2 . . . . . . 5.0 1.9 5.8 rr_1du1 1
135 3 . . . . . . 5.0 1.9 5.8 rr_1du1 1
136 1 . . . . . . 2.8 1.9 3.5 rr_1du1 1
137 2 . . . . . . 5.0 1.9 5.8 rr_1du1 1
137 3 . . . . . . 5.0 1.9 5.8 rr_1du1 1
138 2 . . . . . . 2.4 1.9 2.7 rr_1du1 1
138 3 . . . . . . 2.4 1.9 2.7 rr_1du1 1
139 2 . . . . . . 5.0 1.9 5.8 rr_1du1 1
139 3 . . . . . . 5.0 1.9 5.8 rr_1du1 1
140 2 . . . . . . 5.0 1.9 5.8 rr_1du1 1
140 3 . . . . . . 5.0 1.9 5.8 rr_1du1 1
141 1 . . . . . . 5.0 1.9 5.8 rr_1du1 1
142 1 . . . . . . 2.4 1.9 2.7 rr_1du1 1
143 1 . . . . . . 2.8 1.9 3.5 rr_1du1 1
144 1 . . . . . . 5.0 1.9 5.8 rr_1du1 1
145 2 . . . . . . 2.4 1.9 2.7 rr_1du1 1
145 3 . . . . . . 2.4 1.9 2.7 rr_1du1 1
146 2 . . . . . . 5.0 1.9 5.8 rr_1du1 1
146 3 . . . . . . 5.0 1.9 5.8 rr_1du1 1
147 2 . . . . . . 5.0 1.9 5.8 rr_1du1 1
147 3 . . . . . . 5.0 1.9 5.8 rr_1du1 1
148 2 . . . . . . 5.0 1.9 5.8 rr_1du1 1
148 3 . . . . . . 5.0 1.9 5.8 rr_1du1 1
149 1 . . . . . . 2.4 1.9 2.7 rr_1du1 1
150 2 . . . . . . 5.0 1.9 5.8 rr_1du1 1
150 3 . . . . . . 5.0 1.9 5.8 rr_1du1 1
151 1 . . . . . . 2.4 1.9 2.7 rr_1du1 1
152 2 . . . . . . 3.8 1.9 4.5 rr_1du1 1
152 3 . . . . . . 3.8 1.9 4.5 rr_1du1 1
153 2 . . . . . . 3.8 1.9 4.5 rr_1du1 1
153 3 . . . . . . 3.8 1.9 4.5 rr_1du1 1
154 1 . . . . . . 5.0 1.9 5.8 rr_1du1 1
155 2 . . . . . . 3.8 1.9 4.5 rr_1du1 1
155 3 . . . . . . 3.8 1.9 4.5 rr_1du1 1
156 2 . . . . . . 5.0 1.9 5.8 rr_1du1 1
156 3 . . . . . . 5.0 1.9 5.8 rr_1du1 1
157 2 . . . . . . 5.0 1.9 5.8 rr_1du1 1
157 3 . . . . . . 5.0 1.9 5.8 rr_1du1 1
158 2 . . . . . . 5.0 1.9 5.8 rr_1du1 1
158 3 . . . . . . 5.0 1.9 5.8 rr_1du1 1
159 2 . . . . . . 3.8 1.9 4.5 rr_1du1 1
159 3 . . . . . . 3.8 1.9 4.5 rr_1du1 1
160 2 . . . . . . 3.8 1.9 4.5 rr_1du1 1
160 3 . . . . . . 3.8 1.9 4.5 rr_1du1 1
161 1 . . . . . . 2.4 1.9 2.7 rr_1du1 1
162 1 . . . . . . 2.4 1.9 2.7 rr_1du1 1
163 1 . . . . . . 3.8 1.9 4.5 rr_1du1 1
164 1 . . . . . . 2.4 1.9 2.7 rr_1du1 1
165 2 . . . . . . 3.8 1.9 4.5 rr_1du1 1
165 3 . . . . . . 3.8 1.9 4.5 rr_1du1 1
166 2 . . . . . . 3.8 1.9 4.5 rr_1du1 1
166 3 . . . . . . 3.8 1.9 4.5 rr_1du1 1
167 1 . . . . . . 2.4 1.9 2.7 rr_1du1 1
168 2 . . . . . . 2.4 1.9 2.7 rr_1du1 1
168 3 . . . . . . 2.4 1.9 2.7 rr_1du1 1
169 1 . . . . . . 5.0 1.9 5.8 rr_1du1 1
170 2 . . . . . . 5.0 1.9 5.8 rr_1du1 1
170 3 . . . . . . 5.0 1.9 5.8 rr_1du1 1
171 2 . . . . . . 5.0 1.9 5.8 rr_1du1 1
171 3 . . . . . . 5.0 1.9 5.8 rr_1du1 1
172 2 . . . . . . 3.8 1.9 4.5 rr_1du1 1
172 3 . . . . . . 3.8 1.9 4.5 rr_1du1 1
173 2 . . . . . . 3.8 1.9 4.5 rr_1du1 1
173 3 . . . . . . 3.8 1.9 4.5 rr_1du1 1
174 2 . . . . . . 5.0 1.9 5.8 rr_1du1 1
174 3 . . . . . . 5.0 1.9 5.8 rr_1du1 1
175 1 . . . . . . 2.8 1.9 3.5 rr_1du1 1
176 1 . . . . . . 2.4 1.9 2.7 rr_1du1 1
177 1 . . . . . . 2.8 1.9 3.5 rr_1du1 1
178 2 . . . . . . 5.0 1.9 5.8 rr_1du1 1
178 3 . . . . . . 5.0 1.9 5.8 rr_1du1 1
179 2 . . . . . . 3.8 1.9 4.5 rr_1du1 1
179 3 . . . . . . 3.8 1.9 4.5 rr_1du1 1
180 1 . . . . . . 2.4 1.9 2.7 rr_1du1 1
181 2 . . . . . . 2.4 1.9 2.7 rr_1du1 1
181 3 . . . . . . 2.4 1.9 2.7 rr_1du1 1
182 2 . . . . . . 3.8 1.9 4.5 rr_1du1 1
182 3 . . . . . . 3.8 1.9 4.5 rr_1du1 1
183 2 . . . . . . 2.8 1.9 3.5 rr_1du1 1
183 3 . . . . . . 2.8 1.9 3.5 rr_1du1 1
184 1 . . . . . . 2.8 1.9 3.5 rr_1du1 1
185 2 . . . . . . 5.0 1.9 5.8 rr_1du1 1
185 3 . . . . . . 5.0 1.9 5.8 rr_1du1 1
186 2 . . . . . . 3.8 1.9 4.5 rr_1du1 1
186 3 . . . . . . 3.8 1.9 4.5 rr_1du1 1
187 2 . . . . . . 2.8 1.9 3.5 rr_1du1 1
187 3 . . . . . . 2.8 1.9 3.5 rr_1du1 1
188 1 . . . . . . 2.8 1.9 3.5 rr_1du1 1
189 2 . . . . . . 5.0 1.9 5.8 rr_1du1 1
189 3 . . . . . . 5.0 1.9 5.8 rr_1du1 1
190 1 . . . . . . 2.8 1.9 3.5 rr_1du1 1
191 1 . . . . . . 2.8 1.9 3.5 rr_1du1 1
192 2 . . . . . . 2.8 1.9 3.5 rr_1du1 1
192 3 . . . . . . 2.8 1.9 3.5 rr_1du1 1
193 2 . . . . . . 5.0 1.9 5.8 rr_1du1 1
193 3 . . . . . . 5.0 1.9 5.8 rr_1du1 1
194 1 . . . . . . 2.4 1.9 2.7 rr_1du1 1
195 2 . . . . . . 3.8 1.9 4.5 rr_1du1 1
195 3 . . . . . . 3.8 1.9 4.5 rr_1du1 1
196 2 . . . . . . 5.0 1.9 5.8 rr_1du1 1
196 3 . . . . . . 5.0 1.9 5.8 rr_1du1 1
197 1 . . . . . . 2.4 1.9 2.7 rr_1du1 1
198 1 . . . . . . 3.8 1.9 4.5 rr_1du1 1
199 1 . . . . . . 5.0 1.9 5.8 rr_1du1 1
200 2 . . . . . . 5.0 1.9 5.8 rr_1du1 1
200 3 . . . . . . 5.0 1.9 5.8 rr_1du1 1
201 2 . . . . . . 5.0 1.9 5.8 rr_1du1 1
201 3 . . . . . . 5.0 1.9 5.8 rr_1du1 1
202 1 . . . . . . 2.8 1.9 3.5 rr_1du1 1
203 2 . . . . . . 5.0 1.9 5.8 rr_1du1 1
203 3 . . . . . . 5.0 1.9 5.8 rr_1du1 1
204 2 . . . . . . 5.0 1.9 5.8 rr_1du1 1
204 3 . . . . . . 5.0 1.9 5.8 rr_1du1 1
205 2 . . . . . . 5.0 1.9 5.8 rr_1du1 1
205 3 . . . . . . 5.0 1.9 5.8 rr_1du1 1
206 1 . . . . . . 3.8 1.9 4.5 rr_1du1 1
207 2 . . . . . . 2.4 1.9 2.7 rr_1du1 1
207 3 . . . . . . 2.4 1.9 2.7 rr_1du1 1
208 2 . . . . . . 2.8 1.9 3.5 rr_1du1 1
208 3 . . . . . . 2.8 1.9 3.5 rr_1du1 1
209 2 . . . . . . 3.8 1.9 4.5 rr_1du1 1
209 3 . . . . . . 3.8 1.9 4.5 rr_1du1 1
210 2 . . . . . . 3.8 1.9 4.5 rr_1du1 1
210 3 . . . . . . 3.8 1.9 4.5 rr_1du1 1
211 2 . . . . . . 2.4 1.9 2.7 rr_1du1 1
211 3 . . . . . . 2.4 1.9 2.7 rr_1du1 1
211 4 . . . . . . 2.4 1.9 2.7 rr_1du1 1
211 5 . . . . . . 2.4 1.9 2.7 rr_1du1 1
212 1 . . . . . . 2.8 1.9 3.5 rr_1du1 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_3_1
_Distance_constraint_list.Entry_ID rr_1du1
_Distance_constraint_list.ID 2
_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 3
loop_
_Distance_constraint_software.Software_ID
_Distance_constraint_software.Software_label
_Distance_constraint_software.Method_ID
_Distance_constraint_software.Method_label
_Distance_constraint_software.Entry_ID
_Distance_constraint_software.Distance_constraint_list_ID
. . . . rr_1du1 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_1du1 2
2 1 . . . rr_1du1 2
3 1 . . . rr_1du1 2
4 1 . . . rr_1du1 2
5 1 . . . rr_1du1 2
6 1 . . . rr_1du1 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 1 1 THR OG1 O . . . . 1 . OG1 rr_1du1 2
1 1 . 2 . 1 1 4 4 GLN N N . . . . 4 . N rr_1du1 2
2 1 . 1 . 1 1 1 1 THR OG1 O . . . . 1 . OG1 rr_1du1 2
2 1 . 2 . 1 1 4 4 GLN H H . . . . 4 . HN rr_1du1 2
3 1 . 1 . 1 1 4 4 GLN O O . . . . 4 . O rr_1du1 2
3 1 . 2 . 1 1 7 7 LYS N N . . . . 7 . N rr_1du1 2
4 1 . 1 . 1 1 4 4 GLN O O . . . . 4 . O rr_1du1 2
4 1 . 2 . 1 1 7 7 LYS H H . . . . 7 . HN rr_1du1 2
5 1 . 1 . 1 1 6 6 ALA O O . . . . 6 . O rr_1du1 2
5 1 . 2 . 1 1 10 10 GLU N N . . . . 10 . N rr_1du1 2
6 1 . 1 . 1 1 6 6 ALA O O . . . . 6 . O rr_1du1 2
6 1 . 2 . 1 1 10 10 GLU H H . . . . 10 . HN rr_1du1 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 . . . . . . 3.3 2.5 3.5 rr_1du1 2
2 1 . . . . . . 2.3 1.8 2.5 rr_1du1 2
3 1 . . . . . . 3.3 2.5 3.5 rr_1du1 2
4 1 . . . . . . 2.3 1.8 2.5 rr_1du1 2
5 1 . . . . . . 3.3 2.5 3.5 rr_1du1 2
6 1 . . . . . . 2.3 1.8 2.5 rr_1du1 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_1du1
_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 SIGNALING PROTEIN 13-JAN-00 1DU1 *TITLE PEPTIDE FRAGMENT THR671-LEU690 OF THE RABBIT SKELETAL *TITLE 2 DIHYDROPYRIDINE RECEPTOR *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: SKELETAL DIHYDROPYRIDINE RECEPTOR; *COMPND 3 CHAIN: A; *COMPND 4 FRAGMENT: II-III LOOP REGION, FRAGMENT THR671-LEU690 A1; *COMPND 5 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 OTHER_DETAILS: THIS PEPTIDE WAS CHEMICALLY SYNTHESIZED. *SOURCE 4 THE SEQUENCE OF THIS PEPTIDE NATURALLY OCCURS IN RABBIT *SOURCE 5 (ORYCTOLAGUS CUNICULUS) *KEYWDS DIHYDROPYRIDINE RECEPTOR, RYANODINE RECEPTOR, NMR STRUCTURE *EXPDTA NMR, MINIMIZED AVERAGE STRUCTURE *AUTHOR M.CASAROTTO, A.DULHUNTY *REVDAT 1 19-JUL-00 1DU1 0"
save_
Contact the webmaster for help, if required. Friday, May 10, 2024 1:22:22 PM GMT (wattos1)