NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
369364 |
1bbl   |
2546 | cing | 3-converted-DOCR | STAR | entry | full | 731 |
data_DOCR_restraints_with_modified_coordinates_PDB_code_1bbl
# This DOCR archive file contains, for PDB entry <1bbl>:
#
# - 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_1bbl
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 1bbl"
_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 1bbl"
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_1bbl
_Assembly.ID 1
_Assembly.Name 1bbl
_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 5499.1071
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 "DIHYDROLIPOAMIDE SUCCINYLTRANSFERASE" 1 $DIHYDROLIPOAMIDE_SUCCINYLTRANSFERASE A . no . . . . . . rr_1bbl 1
stop_
save_
save_DIHYDROLIPOAMIDE_SUCCINYLTRANSFERASE
_Entity.Sf_category entity
_Entity.Sf_framecode DIHYDROLIPOAMIDE_SUCCINYLTRANSFERASE
_Entity.Entry_ID rr_1bbl
_Entity.ID 1
_Entity.Name DIHYDROLIPOAMIDE_SUCCINYLTRANSFERASE
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code
;YASLEEQNNDALSPAIRRLL
AEHNLDASAIKGTGVGGRLT
REDVEKHLAKA
;
_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 51
_Entity.Paramagnetic no
_Entity.Thiol_state "not present"
_Entity.Parent_entity_ID 1
_Entity.Formula_weight 5499.1071
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 . TYR . rr_1bbl 1
2 . ALA . rr_1bbl 1
3 . SER . rr_1bbl 1
4 . LEU . rr_1bbl 1
5 . GLU . rr_1bbl 1
6 . GLU . rr_1bbl 1
7 . GLN . rr_1bbl 1
8 . ASN . rr_1bbl 1
9 . ASN . rr_1bbl 1
10 . ASP . rr_1bbl 1
11 . ALA . rr_1bbl 1
12 . LEU . rr_1bbl 1
13 . SER . rr_1bbl 1
14 . PRO . rr_1bbl 1
15 . ALA . rr_1bbl 1
16 . ILE . rr_1bbl 1
17 . ARG . rr_1bbl 1
18 . ARG . rr_1bbl 1
19 . LEU . rr_1bbl 1
20 . LEU . rr_1bbl 1
21 . ALA . rr_1bbl 1
22 . GLU . rr_1bbl 1
23 . HIS . rr_1bbl 1
24 . ASN . rr_1bbl 1
25 . LEU . rr_1bbl 1
26 . ASP . rr_1bbl 1
27 . ALA . rr_1bbl 1
28 . SER . rr_1bbl 1
29 . ALA . rr_1bbl 1
30 . ILE . rr_1bbl 1
31 . LYS . rr_1bbl 1
32 . GLY . rr_1bbl 1
33 . THR . rr_1bbl 1
34 . GLY . rr_1bbl 1
35 . VAL . rr_1bbl 1
36 . GLY . rr_1bbl 1
37 . GLY . rr_1bbl 1
38 . ARG . rr_1bbl 1
39 . LEU . rr_1bbl 1
40 . THR . rr_1bbl 1
41 . ARG . rr_1bbl 1
42 . GLU . rr_1bbl 1
43 . ASP . rr_1bbl 1
44 . VAL . rr_1bbl 1
45 . GLU . rr_1bbl 1
46 . LYS . rr_1bbl 1
47 . HIS . rr_1bbl 1
48 . LEU . rr_1bbl 1
49 . ALA . rr_1bbl 1
50 . LYS . rr_1bbl 1
51 . ALA . rr_1bbl 1
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. TYR 1 1 rr_1bbl 1
. ALA 2 2 rr_1bbl 1
. SER 3 3 rr_1bbl 1
. LEU 4 4 rr_1bbl 1
. GLU 5 5 rr_1bbl 1
. GLU 6 6 rr_1bbl 1
. GLN 7 7 rr_1bbl 1
. ASN 8 8 rr_1bbl 1
. ASN 9 9 rr_1bbl 1
. ASP 10 10 rr_1bbl 1
. ALA 11 11 rr_1bbl 1
. LEU 12 12 rr_1bbl 1
. SER 13 13 rr_1bbl 1
. PRO 14 14 rr_1bbl 1
. ALA 15 15 rr_1bbl 1
. ILE 16 16 rr_1bbl 1
. ARG 17 17 rr_1bbl 1
. ARG 18 18 rr_1bbl 1
. LEU 19 19 rr_1bbl 1
. LEU 20 20 rr_1bbl 1
. ALA 21 21 rr_1bbl 1
. GLU 22 22 rr_1bbl 1
. HIS 23 23 rr_1bbl 1
. ASN 24 24 rr_1bbl 1
. LEU 25 25 rr_1bbl 1
. ASP 26 26 rr_1bbl 1
. ALA 27 27 rr_1bbl 1
. SER 28 28 rr_1bbl 1
. ALA 29 29 rr_1bbl 1
. ILE 30 30 rr_1bbl 1
. LYS 31 31 rr_1bbl 1
. GLY 32 32 rr_1bbl 1
. THR 33 33 rr_1bbl 1
. GLY 34 34 rr_1bbl 1
. VAL 35 35 rr_1bbl 1
. GLY 36 36 rr_1bbl 1
. GLY 37 37 rr_1bbl 1
. ARG 38 38 rr_1bbl 1
. LEU 39 39 rr_1bbl 1
. THR 40 40 rr_1bbl 1
. ARG 41 41 rr_1bbl 1
. GLU 42 42 rr_1bbl 1
. ASP 43 43 rr_1bbl 1
. VAL 44 44 rr_1bbl 1
. GLU 45 45 rr_1bbl 1
. LYS 46 46 rr_1bbl 1
. HIS 47 47 rr_1bbl 1
. LEU 48 48 rr_1bbl 1
. ALA 49 49 rr_1bbl 1
. LYS 50 50 rr_1bbl 1
. ALA 51 51 rr_1bbl 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_1bbl
_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_1bbl
_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_1bbl 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_1bbl 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 12 LEU C C 3.977 2.499 -1.641 . . . 1.0 . . . . . . . . . . . . A . 12 LEU C . . . . . . . . . rr_1bbl 1
. 1 . 2 . 1 1 12 LEU CA C 2.803 3.347 -1.147 . . . 1.0 . . . . . . . . . . . . A . 12 LEU CA . . . . . . . . . rr_1bbl 1
. 1 . 3 . 1 1 12 LEU CB C 2.128 4.025 -2.342 . . . 1.0 . . . . . . . . . . . . A . 12 LEU CB . . . . . . . . . rr_1bbl 1
. 1 . 4 . 1 1 12 LEU CD1 C 0.546 5.834 -3.016 . . . 1.0 . . . . . . . . . . . . A . 12 LEU CD1 . . . . . . . . . rr_1bbl 1
. 1 . 5 . 1 1 12 LEU CD2 C 0.440 4.887 -0.712 . . . 1.0 . . . . . . . . . . . . A . 12 LEU CD2 . . . . . . . . . rr_1bbl 1
. 1 . 6 . 1 1 12 LEU CG C 1.376 5.270 -1.861 . . . 1.0 . . . . . . . . . . . . A . 12 LEU CG . . . . . . . . . rr_1bbl 1
. 1 . 7 . 1 1 12 LEU H H 3.437 5.311 -0.512 . . . 1.0 . . . . . . . . . . . . A . 12 LEU H . . . . . . . . . rr_1bbl 1
. 1 . 8 . 1 1 12 LEU HA H 2.091 2.715 -0.647 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HA . . . . . . . . . rr_1bbl 1
. 1 . 9 . 1 1 12 LEU HB2 H 2.878 4.313 -3.064 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HB2 . . . . . . . . . rr_1bbl 1
. 1 . 10 . 1 1 12 LEU HB3 H 1.437 3.340 -2.806 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HB3 . . . . . . . . . rr_1bbl 1
. 1 . 11 . 1 1 12 LEU HD11 H 1.097 5.742 -3.939 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD11 . . . . . . . . . rr_1bbl 1
. 1 . 12 . 1 1 12 LEU HD12 H -0.382 5.288 -3.098 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD12 . . . . . . . . . rr_1bbl 1
. 1 . 13 . 1 1 12 LEU HD13 H 0.329 6.876 -2.834 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD13 . . . . . . . . . rr_1bbl 1
. 1 . 14 . 1 1 12 LEU HD21 H 0.076 3.881 -0.857 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD21 . . . . . . . . . rr_1bbl 1
. 1 . 15 . 1 1 12 LEU HD22 H 0.972 4.942 0.226 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD22 . . . . . . . . . rr_1bbl 1
. 1 . 16 . 1 1 12 LEU HD23 H -0.399 5.566 -0.684 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD23 . . . . . . . . . rr_1bbl 1
. 1 . 17 . 1 1 12 LEU HG H 2.081 6.014 -1.522 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HG . . . . . . . . . rr_1bbl 1
. 1 . 18 . 1 1 12 LEU N N 3.288 4.394 -0.201 . . . 1.0 . . . . . . . . . . . . A . 12 LEU N . . . . . . . . . rr_1bbl 1
. 1 . 19 . 1 1 12 LEU O O 5.112 2.731 -1.270 . . . 1.0 . . . . . . . . . . . . A . 12 LEU O . . . . . . . . . rr_1bbl 1
. 1 . 20 . 1 1 13 SER C C 4.464 0.267 -4.460 . . . 1.0 . . . . . . . . . . . . A . 13 SER C . . . . . . . . . rr_1bbl 1
. 1 . 21 . 1 1 13 SER CA C 4.771 0.662 -2.997 . . . 1.0 . . . . . . . . . . . . A . 13 SER CA . . . . . . . . . rr_1bbl 1
. 1 . 22 . 1 1 13 SER CB C 4.866 -0.597 -2.135 . . . 1.0 . . . . . . . . . . . . A . 13 SER CB . . . . . . . . . rr_1bbl 1
. 1 . 23 . 1 1 13 SER H H 2.751 1.377 -2.736 . . . 1.0 . . . . . . . . . . . . A . 13 SER H . . . . . . . . . rr_1bbl 1
. 1 . 24 . 1 1 13 SER HA H 5.694 1.200 -2.947 . . . 1.0 . . . . . . . . . . . . A . 13 SER HA . . . . . . . . . rr_1bbl 1
. 1 . 25 . 1 1 13 SER HB2 H 4.116 -0.586 -1.357 . . . 1.0 . . . . . . . . . . . . A . 13 SER HB2 . . . . . . . . . rr_1bbl 1
. 1 . 26 . 1 1 13 SER HB3 H 4.768 -1.485 -2.740 . . . 1.0 . . . . . . . . . . . . A . 13 SER HB3 . . . . . . . . . rr_1bbl 1
. 1 . 27 . 1 1 13 SER HG H 6.398 -1.410 -1.254 . . . 1.0 . . . . . . . . . . . . A . 13 SER HG . . . . . . . . . rr_1bbl 1
. 1 . 28 . 1 1 13 SER N N 3.681 1.531 -2.467 . . . 1.0 . . . . . . . . . . . . A . 13 SER N . . . . . . . . . rr_1bbl 1
. 1 . 29 . 1 1 13 SER O O 3.343 0.390 -4.910 . . . 1.0 . . . . . . . . . . . . A . 13 SER O . . . . . . . . . rr_1bbl 1
. 1 . 30 . 1 1 13 SER OG O 6.166 -0.531 -1.565 . . . 1.0 . . . . . . . . . . . . A . 13 SER OG . . . . . . . . . rr_1bbl 1
. 1 . 31 . 1 1 14 PRO C C 4.303 -1.772 -6.695 . . . 1.0 . . . . . . . . . . . . A . 14 PRO C . . . . . . . . . rr_1bbl 1
. 1 . 32 . 1 1 14 PRO CA C 5.303 -0.613 -6.578 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CA . . . . . . . . . rr_1bbl 1
. 1 . 33 . 1 1 14 PRO CB C 6.690 -1.075 -7.036 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CB . . . . . . . . . rr_1bbl 1
. 1 . 34 . 1 1 14 PRO CD C 6.847 -0.356 -4.653 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CD . . . . . . . . . rr_1bbl 1
. 1 . 35 . 1 1 14 PRO CG C 7.633 -1.018 -5.796 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CG . . . . . . . . . rr_1bbl 1
. 1 . 36 . 1 1 14 PRO HA H 4.984 0.220 -7.175 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HA . . . . . . . . . rr_1bbl 1
. 1 . 37 . 1 1 14 PRO HB2 H 6.637 -2.086 -7.413 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HB2 . . . . . . . . . rr_1bbl 1
. 1 . 38 . 1 1 14 PRO HB3 H 7.061 -0.420 -7.811 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HB3 . . . . . . . . . rr_1bbl 1
. 1 . 39 . 1 1 14 PRO HD2 H 6.848 -0.983 -3.775 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HD2 . . . . . . . . . rr_1bbl 1
. 1 . 40 . 1 1 14 PRO HD3 H 7.275 0.609 -4.427 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HD3 . . . . . . . . . rr_1bbl 1
. 1 . 41 . 1 1 14 PRO HG2 H 7.928 -2.018 -5.511 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HG2 . . . . . . . . . rr_1bbl 1
. 1 . 42 . 1 1 14 PRO HG3 H 8.512 -0.434 -6.028 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HG3 . . . . . . . . . rr_1bbl 1
. 1 . 43 . 1 1 14 PRO N N 5.476 -0.202 -5.175 . . . 1.0 . . . . . . . . . . . . A . 14 PRO N . . . . . . . . . rr_1bbl 1
. 1 . 44 . 1 1 14 PRO O O 3.817 -2.066 -7.768 . . . 1.0 . . . . . . . . . . . . A . 14 PRO O . . . . . . . . . rr_1bbl 1
. 1 . 45 . 1 1 15 ALA C C 1.651 -3.116 -5.228 . . . 1.0 . . . . . . . . . . . . A . 15 ALA C . . . . . . . . . rr_1bbl 1
. 1 . 46 . 1 1 15 ALA CA C 3.065 -3.555 -5.626 . . . 1.0 . . . . . . . . . . . . A . 15 ALA CA . . . . . . . . . rr_1bbl 1
. 1 . 47 . 1 1 15 ALA CB C 3.550 -4.630 -4.653 . . . 1.0 . . . . . . . . . . . . A . 15 ALA CB . . . . . . . . . rr_1bbl 1
. 1 . 48 . 1 1 15 ALA H H 4.422 -2.123 -4.740 . . . 1.0 . . . . . . . . . . . . A . 15 ALA H . . . . . . . . . rr_1bbl 1
. 1 . 49 . 1 1 15 ALA HA H 3.044 -3.967 -6.619 . . . 1.0 . . . . . . . . . . . . A . 15 ALA HA . . . . . . . . . rr_1bbl 1
. 1 . 50 . 1 1 15 ALA HB1 H 4.620 -4.748 -4.744 . . . 1.0 . . . . . . . . . . . . A . 15 ALA HB1 . . . . . . . . . rr_1bbl 1
. 1 . 51 . 1 1 15 ALA HB2 H 3.309 -4.343 -3.641 . . . 1.0 . . . . . . . . . . . . A . 15 ALA HB2 . . . . . . . . . rr_1bbl 1
. 1 . 52 . 1 1 15 ALA HB3 H 3.068 -5.571 -4.879 . . . 1.0 . . . . . . . . . . . . A . 15 ALA HB3 . . . . . . . . . rr_1bbl 1
. 1 . 53 . 1 1 15 ALA N N 4.017 -2.403 -5.588 . . . 1.0 . . . . . . . . . . . . A . 15 ALA N . . . . . . . . . rr_1bbl 1
. 1 . 54 . 1 1 15 ALA O O 0.727 -3.902 -5.271 . . . 1.0 . . . . . . . . . . . . A . 15 ALA O . . . . . . . . . rr_1bbl 1
. 1 . 55 . 1 1 16 ILE C C -0.804 -1.408 -5.653 . . . 1.0 . . . . . . . . . . . . A . 16 ILE C . . . . . . . . . rr_1bbl 1
. 1 . 56 . 1 1 16 ILE CA C 0.150 -1.392 -4.453 . . . 1.0 . . . . . . . . . . . . A . 16 ILE CA . . . . . . . . . rr_1bbl 1
. 1 . 57 . 1 1 16 ILE CB C 0.258 0.033 -3.905 . . . 1.0 . . . . . . . . . . . . A . 16 ILE CB . . . . . . . . . rr_1bbl 1
. 1 . 58 . 1 1 16 ILE CD1 C -0.913 1.768 -2.535 . . . 1.0 . . . . . . . . . . . . A . 16 ILE CD1 . . . . . . . . . rr_1bbl 1
. 1 . 59 . 1 1 16 ILE CG1 C -1.056 0.395 -3.195 . . . 1.0 . . . . . . . . . . . . A . 16 ILE CG1 . . . . . . . . . rr_1bbl 1
. 1 . 60 . 1 1 16 ILE CG2 C 0.504 1.004 -5.065 . . . 1.0 . . . . . . . . . . . . A . 16 ILE CG2 . . . . . . . . . rr_1bbl 1
. 1 . 61 . 1 1 16 ILE H H 2.274 -1.266 -4.842 . . . 1.0 . . . . . . . . . . . . A . 16 ILE H . . . . . . . . . rr_1bbl 1
. 1 . 62 . 1 1 16 ILE HA H -0.240 -2.038 -3.683 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HA . . . . . . . . . rr_1bbl 1
. 1 . 63 . 1 1 16 ILE HB H 1.076 0.092 -3.207 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HB . . . . . . . . . rr_1bbl 1
. 1 . 64 . 1 1 16 ILE HD11 H -0.042 1.777 -1.898 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HD11 . . . . . . . . . rr_1bbl 1
. 1 . 65 . 1 1 16 ILE HD12 H -0.810 2.529 -3.292 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HD12 . . . . . . . . . rr_1bbl 1
. 1 . 66 . 1 1 16 ILE HD13 H -1.789 1.977 -1.939 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HD13 . . . . . . . . . rr_1bbl 1
. 1 . 67 . 1 1 16 ILE HG12 H -1.864 0.418 -3.911 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HG12 . . . . . . . . . rr_1bbl 1
. 1 . 68 . 1 1 16 ILE HG13 H -1.275 -0.346 -2.440 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HG13 . . . . . . . . . rr_1bbl 1
. 1 . 69 . 1 1 16 ILE HG21 H 1.165 0.549 -5.786 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HG21 . . . . . . . . . rr_1bbl 1
. 1 . 70 . 1 1 16 ILE HG22 H -0.431 1.250 -5.544 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HG22 . . . . . . . . . rr_1bbl 1
. 1 . 71 . 1 1 16 ILE HG23 H 0.959 1.910 -4.691 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HG23 . . . . . . . . . rr_1bbl 1
. 1 . 72 . 1 1 16 ILE N N 1.506 -1.874 -4.856 . . . 1.0 . . . . . . . . . . . . A . 16 ILE N . . . . . . . . . rr_1bbl 1
. 1 . 73 . 1 1 16 ILE O O -1.971 -1.715 -5.517 . . . 1.0 . . . . . . . . . . . . A . 16 ILE O . . . . . . . . . rr_1bbl 1
. 1 . 74 . 1 1 17 ARG C C -1.624 -2.489 -8.346 . . . 1.0 . . . . . . . . . . . . A . 17 ARG C . . . . . . . . . rr_1bbl 1
. 1 . 75 . 1 1 17 ARG CA C -1.151 -1.069 -8.021 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CA . . . . . . . . . rr_1bbl 1
. 1 . 76 . 1 1 17 ARG CB C -0.352 -0.516 -9.199 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CB . . . . . . . . . rr_1bbl 1
. 1 . 77 . 1 1 17 ARG CD C 0.713 1.534 -10.137 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CD . . . . . . . . . rr_1bbl 1
. 1 . 78 . 1 1 17 ARG CG C 0.043 0.932 -8.900 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CG . . . . . . . . . rr_1bbl 1
. 1 . 79 . 1 1 17 ARG CZ C 1.096 3.833 -10.773 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CZ . . . . . . . . . rr_1bbl 1
. 1 . 80 . 1 1 17 ARG H H 0.662 -0.838 -6.870 . . . 1.0 . . . . . . . . . . . . A . 17 ARG H . . . . . . . . . rr_1bbl 1
. 1 . 81 . 1 1 17 ARG HA H -2.007 -0.439 -7.845 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HA . . . . . . . . . rr_1bbl 1
. 1 . 82 . 1 1 17 ARG HB2 H 0.537 -1.112 -9.345 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HB2 . . . . . . . . . rr_1bbl 1
. 1 . 83 . 1 1 17 ARG HB3 H -0.954 -0.551 -10.095 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HB3 . . . . . . . . . rr_1bbl 1
. 1 . 84 . 1 1 17 ARG HD2 H 1.584 0.953 -10.403 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HD2 . . . . . . . . . rr_1bbl 1
. 1 . 85 . 1 1 17 ARG HD3 H 0.020 1.540 -10.965 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HD3 . . . . . . . . . rr_1bbl 1
. 1 . 86 . 1 1 17 ARG HE H 1.422 3.173 -8.926 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HE . . . . . . . . . rr_1bbl 1
. 1 . 87 . 1 1 17 ARG HG2 H -0.838 1.504 -8.651 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HG2 . . . . . . . . . rr_1bbl 1
. 1 . 88 . 1 1 17 ARG HG3 H 0.729 0.956 -8.068 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HG3 . . . . . . . . . rr_1bbl 1
. 1 . 89 . 1 1 17 ARG HH11 H 1.489 2.502 -12.216 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH11 . . . . . . . . . rr_1bbl 1
. 1 . 90 . 1 1 17 ARG HH12 H 1.285 4.138 -12.743 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH12 . . . . . . . . . rr_1bbl 1
. 1 . 91 . 1 1 17 ARG HH21 H 0.698 5.323 -9.497 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH21 . . . . . . . . . rr_1bbl 1
. 1 . 92 . 1 1 17 ARG HH22 H 0.826 5.778 -11.164 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH22 . . . . . . . . . rr_1bbl 1
. 1 . 93 . 1 1 17 ARG N N -0.286 -1.078 -6.805 . . . 1.0 . . . . . . . . . . . . A . 17 ARG N . . . . . . . . . rr_1bbl 1
. 1 . 94 . 1 1 17 ARG NE N 1.128 2.932 -9.829 . . . 1.0 . . . . . . . . . . . . A . 17 ARG NE . . . . . . . . . rr_1bbl 1
. 1 . 95 . 1 1 17 ARG NH1 N 1.307 3.462 -12.007 . . . 1.0 . . . . . . . . . . . . A . 17 ARG NH1 . . . . . . . . . rr_1bbl 1
. 1 . 96 . 1 1 17 ARG NH2 N 0.855 5.075 -10.453 . . . 1.0 . . . . . . . . . . . . A . 17 ARG NH2 . . . . . . . . . rr_1bbl 1
. 1 . 97 . 1 1 17 ARG O O -2.793 -2.717 -8.584 . . . 1.0 . . . . . . . . . . . . A . 17 ARG O . . . . . . . . . rr_1bbl 1
. 1 . 98 . 1 1 18 ARG C C -1.854 -5.436 -7.482 . . . 1.0 . . . . . . . . . . . . A . 18 ARG C . . . . . . . . . rr_1bbl 1
. 1 . 99 . 1 1 18 ARG CA C -1.081 -4.823 -8.657 . . . 1.0 . . . . . . . . . . . . A . 18 ARG CA . . . . . . . . . rr_1bbl 1
. 1 . 100 . 1 1 18 ARG CB C 0.189 -5.636 -8.913 . . . 1.0 . . . . . . . . . . . . A . 18 ARG CB . . . . . . . . . rr_1bbl 1
. 1 . 101 . 1 1 18 ARG CD C 1.361 -5.989 -11.087 . . . 1.0 . . . . . . . . . . . . A . 18 ARG CD . . . . . . . . . rr_1bbl 1
. 1 . 102 . 1 1 18 ARG CG C 1.004 -4.956 -10.016 . . . 1.0 . . . . . . . . . . . . A . 18 ARG CG . . . . . . . . . rr_1bbl 1
. 1 . 103 . 1 1 18 ARG CZ C 3.209 -5.893 -12.642 . . . 1.0 . . . . . . . . . . . . A . 18 ARG CZ . . . . . . . . . rr_1bbl 1
. 1 . 104 . 1 1 18 ARG H H 0.228 -3.184 -8.148 . . . 1.0 . . . . . . . . . . . . A . 18 ARG H . . . . . . . . . rr_1bbl 1
. 1 . 105 . 1 1 18 ARG HA H -1.698 -4.842 -9.538 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HA . . . . . . . . . rr_1bbl 1
. 1 . 106 . 1 1 18 ARG HB2 H 0.775 -5.687 -8.008 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HB2 . . . . . . . . . rr_1bbl 1
. 1 . 107 . 1 1 18 ARG HB3 H -0.077 -6.635 -9.221 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HB3 . . . . . . . . . rr_1bbl 1
. 1 . 108 . 1 1 18 ARG HD2 H 1.959 -6.776 -10.654 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HD2 . . . . . . . . . rr_1bbl 1
. 1 . 109 . 1 1 18 ARG HD3 H 0.460 -6.413 -11.504 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HD3 . . . . . . . . . rr_1bbl 1
. 1 . 110 . 1 1 18 ARG HE H 1.845 -4.451 -12.520 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HE . . . . . . . . . rr_1bbl 1
. 1 . 111 . 1 1 18 ARG HG2 H 0.423 -4.160 -10.459 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HG2 . . . . . . . . . rr_1bbl 1
. 1 . 112 . 1 1 18 ARG HG3 H 1.908 -4.541 -9.596 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HG3 . . . . . . . . . rr_1bbl 1
. 1 . 113 . 1 1 18 ARG HH11 H 2.182 -7.429 -13.413 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HH11 . . . . . . . . . rr_1bbl 1
. 1 . 114 . 1 1 18 ARG HH12 H 3.896 -7.475 -13.657 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HH12 . . . . . . . . . rr_1bbl 1
. 1 . 115 . 1 1 18 ARG HH21 H 4.423 -4.457 -11.954 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HH21 . . . . . . . . . rr_1bbl 1
. 1 . 116 . 1 1 18 ARG HH22 H 5.198 -5.748 -12.808 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HH22 . . . . . . . . . rr_1bbl 1
. 1 . 117 . 1 1 18 ARG N N -0.703 -3.413 -8.348 . . . 1.0 . . . . . . . . . . . . A . 18 ARG N . . . . . . . . . rr_1bbl 1
. 1 . 118 . 1 1 18 ARG NE N 2.137 -5.318 -12.168 . . . 1.0 . . . . . . . . . . . . A . 18 ARG NE . . . . . . . . . rr_1bbl 1
. 1 . 119 . 1 1 18 ARG NH1 N 3.086 -7.021 -13.287 . . . 1.0 . . . . . . . . . . . . A . 18 ARG NH1 . . . . . . . . . rr_1bbl 1
. 1 . 120 . 1 1 18 ARG NH2 N 4.367 -5.322 -12.453 . . . 1.0 . . . . . . . . . . . . A . 18 ARG NH2 . . . . . . . . . rr_1bbl 1
. 1 . 121 . 1 1 18 ARG O O -2.450 -6.487 -7.611 . . . 1.0 . . . . . . . . . . . . A . 18 ARG O . . . . . . . . . rr_1bbl 1
. 1 . 122 . 1 1 19 LEU C C -4.072 -5.281 -5.435 . . . 1.0 . . . . . . . . . . . . A . 19 LEU C . . . . . . . . . rr_1bbl 1
. 1 . 123 . 1 1 19 LEU CA C -2.562 -5.298 -5.175 . . . 1.0 . . . . . . . . . . . . A . 19 LEU CA . . . . . . . . . rr_1bbl 1
. 1 . 124 . 1 1 19 LEU CB C -2.248 -4.429 -3.958 . . . 1.0 . . . . . . . . . . . . A . 19 LEU CB . . . . . . . . . rr_1bbl 1
. 1 . 125 . 1 1 19 LEU CD1 C -1.312 -5.954 -2.219 . . . 1.0 . . . . . . . . . . . . A . 19 LEU CD1 . . . . . . . . . rr_1bbl 1
. 1 . 126 . 1 1 19 LEU CD2 C -3.012 -4.239 -1.591 . . . 1.0 . . . . . . . . . . . . A . 19 LEU CD2 . . . . . . . . . rr_1bbl 1
. 1 . 127 . 1 1 19 LEU CG C -2.568 -5.213 -2.684 . . . 1.0 . . . . . . . . . . . . A . 19 LEU CG . . . . . . . . . rr_1bbl 1
. 1 . 128 . 1 1 19 LEU H H -1.336 -3.921 -6.302 . . . 1.0 . . . . . . . . . . . . A . 19 LEU H . . . . . . . . . rr_1bbl 1
. 1 . 129 . 1 1 19 LEU HA H -2.244 -6.308 -4.982 . . . 1.0 . . . . . . . . . . . . A . 19 LEU HA . . . . . . . . . rr_1bbl 1
. 1 . 130 . 1 1 19 LEU HB2 H -1.203 -4.160 -3.964 . . . 1.0 . . . . . . . . . . . . A . 19 LEU HB2 . . . . . . . . . rr_1bbl 1
. 1 . 131 . 1 1 19 LEU HB3 H -2.844 -3.529 -3.990 . . . 1.0 . . . . . . . . . . . . A . 19 LEU HB3 . . . . . . . . . rr_1bbl 1
. 1 . 132 . 1 1 19 LEU HD11 H -0.752 -6.296 -3.077 . . . 1.0 . . . . . . . . . . . . A . 19 LEU HD11 . . . . . . . . . rr_1bbl 1
. 1 . 133 . 1 1 19 LEU HD12 H -0.694 -5.291 -1.632 . . . 1.0 . . . . . . . . . . . . A . 19 LEU HD12 . . . . . . . . . rr_1bbl 1
. 1 . 134 . 1 1 19 LEU HD13 H -1.594 -6.805 -1.616 . . . 1.0 . . . . . . . . . . . . A . 19 LEU HD13 . . . . . . . . . rr_1bbl 1
. 1 . 135 . 1 1 19 LEU HD21 H -2.243 -3.498 -1.429 . . . 1.0 . . . . . . . . . . . . A . 19 LEU HD21 . . . . . . . . . rr_1bbl 1
. 1 . 136 . 1 1 19 LEU HD22 H -3.924 -3.746 -1.890 . . . 1.0 . . . . . . . . . . . . A . 19 LEU HD22 . . . . . . . . . rr_1bbl 1
. 1 . 137 . 1 1 19 LEU HD23 H -3.185 -4.777 -0.670 . . . 1.0 . . . . . . . . . . . . A . 19 LEU HD23 . . . . . . . . . rr_1bbl 1
. 1 . 138 . 1 1 19 LEU HG H -3.358 -5.923 -2.882 . . . 1.0 . . . . . . . . . . . . A . 19 LEU HG . . . . . . . . . rr_1bbl 1
. 1 . 139 . 1 1 19 LEU N N -1.830 -4.765 -6.362 . . . 1.0 . . . . . . . . . . . . A . 19 LEU N . . . . . . . . . rr_1bbl 1
. 1 . 140 . 1 1 19 LEU O O -4.798 -6.121 -4.944 . . . 1.0 . . . . . . . . . . . . A . 19 LEU O . . . . . . . . . rr_1bbl 1
. 1 . 141 . 1 1 20 LEU C C -6.335 -5.207 -7.630 . . . 1.0 . . . . . . . . . . . . A . 20 LEU C . . . . . . . . . rr_1bbl 1
. 1 . 142 . 1 1 20 LEU CA C -5.967 -4.234 -6.506 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CA . . . . . . . . . rr_1bbl 1
. 1 . 143 . 1 1 20 LEU CB C -6.303 -2.807 -6.937 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CB . . . . . . . . . rr_1bbl 1
. 1 . 144 . 1 1 20 LEU CD1 C -5.828 -0.485 -6.158 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD1 . . . . . . . . . rr_1bbl 1
. 1 . 145 . 1 1 20 LEU CD2 C -7.634 -1.819 -5.071 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD2 . . . . . . . . . rr_1bbl 1
. 1 . 146 . 1 1 20 LEU CG C -6.247 -1.887 -5.715 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CG . . . . . . . . . rr_1bbl 1
. 1 . 147 . 1 1 20 LEU H H -3.886 -3.665 -6.579 . . . 1.0 . . . . . . . . . . . . A . 20 LEU H . . . . . . . . . rr_1bbl 1
. 1 . 148 . 1 1 20 LEU HA H -6.530 -4.479 -5.622 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HA . . . . . . . . . rr_1bbl 1
. 1 . 149 . 1 1 20 LEU HB2 H -5.588 -2.473 -7.675 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB2 . . . . . . . . . rr_1bbl 1
. 1 . 150 . 1 1 20 LEU HB3 H -7.293 -2.780 -7.366 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB3 . . . . . . . . . rr_1bbl 1
. 1 . 151 . 1 1 20 LEU HD11 H -6.243 -0.270 -7.131 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD11 . . . . . . . . . rr_1bbl 1
. 1 . 152 . 1 1 20 LEU HD12 H -6.190 0.244 -5.448 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD12 . . . . . . . . . rr_1bbl 1
. 1 . 153 . 1 1 20 LEU HD13 H -4.751 -0.425 -6.210 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD13 . . . . . . . . . rr_1bbl 1
. 1 . 154 . 1 1 20 LEU HD21 H -7.951 -2.810 -4.781 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD21 . . . . . . . . . rr_1bbl 1
. 1 . 155 . 1 1 20 LEU HD22 H -7.599 -1.187 -4.196 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD22 . . . . . . . . . rr_1bbl 1
. 1 . 156 . 1 1 20 LEU HD23 H -8.344 -1.411 -5.776 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD23 . . . . . . . . . rr_1bbl 1
. 1 . 157 . 1 1 20 LEU HG H -5.533 -2.274 -5.001 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HG . . . . . . . . . rr_1bbl 1
. 1 . 158 . 1 1 20 LEU N N -4.509 -4.322 -6.203 . . . 1.0 . . . . . . . . . . . . A . 20 LEU N . . . . . . . . . rr_1bbl 1
. 1 . 159 . 1 1 20 LEU O O -7.440 -5.712 -7.681 . . . 1.0 . . . . . . . . . . . . A . 20 LEU O . . . . . . . . . rr_1bbl 1
. 1 . 160 . 1 1 21 ALA C C -5.379 -7.832 -9.205 . . . 1.0 . . . . . . . . . . . . A . 21 ALA C . . . . . . . . . rr_1bbl 1
. 1 . 161 . 1 1 21 ALA CA C -5.680 -6.392 -9.632 . . . 1.0 . . . . . . . . . . . . A . 21 ALA CA . . . . . . . . . rr_1bbl 1
. 1 . 162 . 1 1 21 ALA CB C -4.801 -6.020 -10.825 . . . 1.0 . . . . . . . . . . . . A . 21 ALA CB . . . . . . . . . rr_1bbl 1
. 1 . 163 . 1 1 21 ALA H H -4.523 -5.022 -8.428 . . . 1.0 . . . . . . . . . . . . A . 21 ALA H . . . . . . . . . rr_1bbl 1
. 1 . 164 . 1 1 21 ALA HA H -6.715 -6.312 -9.916 . . . 1.0 . . . . . . . . . . . . A . 21 ALA HA . . . . . . . . . rr_1bbl 1
. 1 . 165 . 1 1 21 ALA HB1 H -4.866 -4.957 -11.009 . . . 1.0 . . . . . . . . . . . . A . 21 ALA HB1 . . . . . . . . . rr_1bbl 1
. 1 . 166 . 1 1 21 ALA HB2 H -3.774 -6.281 -10.617 . . . 1.0 . . . . . . . . . . . . A . 21 ALA HB2 . . . . . . . . . rr_1bbl 1
. 1 . 167 . 1 1 21 ALA HB3 H -5.133 -6.554 -11.704 . . . 1.0 . . . . . . . . . . . . A . 21 ALA HB3 . . . . . . . . . rr_1bbl 1
. 1 . 168 . 1 1 21 ALA N N -5.400 -5.452 -8.508 . . . 1.0 . . . . . . . . . . . . A . 21 ALA N . . . . . . . . . rr_1bbl 1
. 1 . 169 . 1 1 21 ALA O O -5.678 -8.770 -9.918 . . . 1.0 . . . . . . . . . . . . A . 21 ALA O . . . . . . . . . rr_1bbl 1
. 1 . 170 . 1 1 22 GLU C C -5.657 -9.936 -6.797 . . . 1.0 . . . . . . . . . . . . A . 22 GLU C . . . . . . . . . rr_1bbl 1
. 1 . 171 . 1 1 22 GLU CA C -4.464 -9.347 -7.559 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CA . . . . . . . . . rr_1bbl 1
. 1 . 172 . 1 1 22 GLU CB C -3.252 -9.271 -6.632 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CB . . . . . . . . . rr_1bbl 1
. 1 . 173 . 1 1 22 GLU CD C -1.453 -10.800 -5.823 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CD . . . . . . . . . rr_1bbl 1
. 1 . 174 . 1 1 22 GLU CG C -2.955 -10.665 -6.077 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CG . . . . . . . . . rr_1bbl 1
. 1 . 175 . 1 1 22 GLU H H -4.568 -7.191 -7.506 . . . 1.0 . . . . . . . . . . . . A . 22 GLU H . . . . . . . . . rr_1bbl 1
. 1 . 176 . 1 1 22 GLU HA H -4.230 -9.979 -8.398 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HA . . . . . . . . . rr_1bbl 1
. 1 . 177 . 1 1 22 GLU HB2 H -2.396 -8.911 -7.183 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HB2 . . . . . . . . . rr_1bbl 1
. 1 . 178 . 1 1 22 GLU HB3 H -3.460 -8.593 -5.817 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HB3 . . . . . . . . . rr_1bbl 1
. 1 . 179 . 1 1 22 GLU HG2 H -3.488 -10.812 -5.150 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HG2 . . . . . . . . . rr_1bbl 1
. 1 . 180 . 1 1 22 GLU HG3 H -3.265 -11.416 -6.790 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HG3 . . . . . . . . . rr_1bbl 1
. 1 . 181 . 1 1 22 GLU N N -4.792 -7.976 -8.048 . . . 1.0 . . . . . . . . . . . . A . 22 GLU N . . . . . . . . . rr_1bbl 1
. 1 . 182 . 1 1 22 GLU O O -6.016 -11.080 -6.991 . . . 1.0 . . . . . . . . . . . . A . 22 GLU O . . . . . . . . . rr_1bbl 1
. 1 . 183 . 1 1 22 GLU OE1 O -0.861 -9.776 -5.524 . . . 1.0 . . . . . . . . . . . . A . 22 GLU OE1 . . . . . . . . . rr_1bbl 1
. 1 . 184 . 1 1 22 GLU OE2 O -0.981 -11.919 -5.942 . . . 1.0 . . . . . . . . . . . . A . 22 GLU OE2 . . . . . . . . . rr_1bbl 1
. 1 . 185 . 1 1 23 HIS C C -8.721 -9.182 -5.822 . . . 1.0 . . . . . . . . . . . . A . 23 HIS C . . . . . . . . . rr_1bbl 1
. 1 . 186 . 1 1 23 HIS CA C -7.415 -9.634 -5.161 . . . 1.0 . . . . . . . . . . . . A . 23 HIS CA . . . . . . . . . rr_1bbl 1
. 1 . 187 . 1 1 23 HIS CB C -7.342 -9.073 -3.742 . . . 1.0 . . . . . . . . . . . . A . 23 HIS CB . . . . . . . . . rr_1bbl 1
. 1 . 188 . 1 1 23 HIS CD2 C -5.076 -8.187 -2.726 . . . 1.0 . . . . . . . . . . . . A . 23 HIS CD2 . . . . . . . . . rr_1bbl 1
. 1 . 189 . 1 1 23 HIS CE1 C -4.064 -10.011 -2.723 . . . 1.0 . . . . . . . . . . . . A . 23 HIS CE1 . . . . . . . . . rr_1bbl 1
. 1 . 190 . 1 1 23 HIS CG C -5.903 -9.171 -3.232 . . . 1.0 . . . . . . . . . . . . A . 23 HIS CG . . . . . . . . . rr_1bbl 1
. 1 . 191 . 1 1 23 HIS H H -5.920 -8.222 -5.821 . . . 1.0 . . . . . . . . . . . . A . 23 HIS H . . . . . . . . . rr_1bbl 1
. 1 . 192 . 1 1 23 HIS HA H -7.390 -10.709 -5.120 . . . 1.0 . . . . . . . . . . . . A . 23 HIS HA . . . . . . . . . rr_1bbl 1
. 1 . 193 . 1 1 23 HIS HB2 H -7.651 -8.039 -3.741 . . . 1.0 . . . . . . . . . . . . A . 23 HIS HB2 . . . . . . . . . rr_1bbl 1
. 1 . 194 . 1 1 23 HIS HB3 H -7.991 -9.641 -3.091 . . . 1.0 . . . . . . . . . . . . A . 23 HIS HB3 . . . . . . . . . rr_1bbl 1
. 1 . 195 . 1 1 23 HIS HD1 H -5.548 -11.102 -3.493 . . . 1.0 . . . . . . . . . . . . A . 23 HIS HD1 . . . . . . . . . rr_1bbl 1
. 1 . 196 . 1 1 23 HIS HD2 H -5.341 -7.146 -2.611 . . . 1.0 . . . . . . . . . . . . A . 23 HIS HD2 . . . . . . . . . rr_1bbl 1
. 1 . 197 . 1 1 23 HIS HE1 H -3.313 -10.777 -2.602 . . . 1.0 . . . . . . . . . . . . A . 23 HIS HE1 . . . . . . . . . rr_1bbl 1
. 1 . 198 . 1 1 23 HIS N N -6.244 -9.138 -5.944 . . . 1.0 . . . . . . . . . . . . A . 23 HIS N . . . . . . . . . rr_1bbl 1
. 1 . 199 . 1 1 23 HIS ND1 N -5.225 -10.225 -3.195 . . . 1.0 . . . . . . . . . . . . A . 23 HIS ND1 . . . . . . . . . rr_1bbl 1
. 1 . 200 . 1 1 23 HIS NE2 N -3.880 -8.734 -2.396 . . . 1.0 . . . . . . . . . . . . A . 23 HIS NE2 . . . . . . . . . rr_1bbl 1
. 1 . 201 . 1 1 23 HIS O O -9.797 -9.464 -5.334 . . . 1.0 . . . . . . . . . . . . A . 23 HIS O . . . . . . . . . rr_1bbl 1
. 1 . 202 . 1 1 24 ASN C C -10.751 -7.287 -6.644 . . . 1.0 . . . . . . . . . . . . A . 24 ASN C . . . . . . . . . rr_1bbl 1
. 1 . 203 . 1 1 24 ASN CA C -9.821 -8.007 -7.625 . . . 1.0 . . . . . . . . . . . . A . 24 ASN CA . . . . . . . . . rr_1bbl 1
. 1 . 204 . 1 1 24 ASN CB C -10.549 -9.206 -8.231 . . . 1.0 . . . . . . . . . . . . A . 24 ASN CB . . . . . . . . . rr_1bbl 1
. 1 . 205 . 1 1 24 ASN CG C -10.241 -9.282 -9.728 . . . 1.0 . . . . . . . . . . . . A . 24 ASN CG . . . . . . . . . rr_1bbl 1
. 1 . 206 . 1 1 24 ASN H H -7.707 -8.282 -7.277 . . . 1.0 . . . . . . . . . . . . A . 24 ASN H . . . . . . . . . rr_1bbl 1
. 1 . 207 . 1 1 24 ASN HA H -9.537 -7.330 -8.413 . . . 1.0 . . . . . . . . . . . . A . 24 ASN HA . . . . . . . . . rr_1bbl 1
. 1 . 208 . 1 1 24 ASN HB2 H -10.219 -10.116 -7.752 . . . 1.0 . . . . . . . . . . . . A . 24 ASN HB2 . . . . . . . . . rr_1bbl 1
. 1 . 209 . 1 1 24 ASN HB3 H -11.615 -9.095 -8.091 . . . 1.0 . . . . . . . . . . . . A . 24 ASN HB3 . . . . . . . . . rr_1bbl 1
. 1 . 210 . 1 1 24 ASN HD21 H -8.291 -9.006 -9.473 . . . 1.0 . . . . . . . . . . . . A . 24 ASN HD21 . . . . . . . . . rr_1bbl 1
. 1 . 211 . 1 1 24 ASN HD22 H -8.792 -9.198 -11.083 . . . 1.0 . . . . . . . . . . . . A . 24 ASN HD22 . . . . . . . . . rr_1bbl 1
. 1 . 212 . 1 1 24 ASN N N -8.597 -8.487 -6.920 . . . 1.0 . . . . . . . . . . . . A . 24 ASN N . . . . . . . . . rr_1bbl 1
. 1 . 213 . 1 1 24 ASN ND2 N -9.005 -9.151 -10.127 . . . 1.0 . . . . . . . . . . . . A . 24 ASN ND2 . . . . . . . . . rr_1bbl 1
. 1 . 214 . 1 1 24 ASN O O -11.609 -7.896 -6.038 . . . 1.0 . . . . . . . . . . . . A . 24 ASN O . . . . . . . . . rr_1bbl 1
. 1 . 215 . 1 1 24 ASN OD1 O -11.122 -9.461 -10.546 . . . 1.0 . . . . . . . . . . . . A . 24 ASN OD1 . . . . . . . . . rr_1bbl 1
. 1 . 216 . 1 1 25 LEU C C -11.711 -3.836 -6.152 . . . 1.0 . . . . . . . . . . . . A . 25 LEU C . . . . . . . . . rr_1bbl 1
. 1 . 217 . 1 1 25 LEU CA C -11.421 -5.225 -5.572 . . . 1.0 . . . . . . . . . . . . A . 25 LEU CA . . . . . . . . . rr_1bbl 1
. 1 . 218 . 1 1 25 LEU CB C -10.698 -5.076 -4.231 . . . 1.0 . . . . . . . . . . . . A . 25 LEU CB . . . . . . . . . rr_1bbl 1
. 1 . 219 . 1 1 25 LEU CD1 C -9.961 -6.299 -2.182 . . . 1.0 . . . . . . . . . . . . A . 25 LEU CD1 . . . . . . . . . rr_1bbl 1
. 1 . 220 . 1 1 25 LEU CD2 C -12.335 -6.490 -2.933 . . . 1.0 . . . . . . . . . . . . A . 25 LEU CD2 . . . . . . . . . rr_1bbl 1
. 1 . 221 . 1 1 25 LEU CG C -10.877 -6.361 -3.405 . . . 1.0 . . . . . . . . . . . . A . 25 LEU CG . . . . . . . . . rr_1bbl 1
. 1 . 222 . 1 1 25 LEU H H -9.852 -5.552 -7.020 . . . 1.0 . . . . . . . . . . . . A . 25 LEU H . . . . . . . . . rr_1bbl 1
. 1 . 223 . 1 1 25 LEU HA H -12.349 -5.748 -5.424 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HA . . . . . . . . . rr_1bbl 1
. 1 . 224 . 1 1 25 LEU HB2 H -9.646 -4.908 -4.408 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HB2 . . . . . . . . . rr_1bbl 1
. 1 . 225 . 1 1 25 LEU HB3 H -11.100 -4.232 -3.690 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HB3 . . . . . . . . . rr_1bbl 1
. 1 . 226 . 1 1 25 LEU HD11 H -8.935 -6.178 -2.499 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HD11 . . . . . . . . . rr_1bbl 1
. 1 . 227 . 1 1 25 LEU HD12 H -10.241 -5.462 -1.558 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HD12 . . . . . . . . . rr_1bbl 1
. 1 . 228 . 1 1 25 LEU HD13 H -10.051 -7.212 -1.611 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HD13 . . . . . . . . . rr_1bbl 1
. 1 . 229 . 1 1 25 LEU HD21 H -12.879 -5.584 -3.153 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HD21 . . . . . . . . . rr_1bbl 1
. 1 . 230 . 1 1 25 LEU HD22 H -12.808 -7.317 -3.439 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HD22 . . . . . . . . . rr_1bbl 1
. 1 . 231 . 1 1 25 LEU HD23 H -12.357 -6.666 -1.869 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HD23 . . . . . . . . . rr_1bbl 1
. 1 . 232 . 1 1 25 LEU HG H -10.615 -7.218 -4.008 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HG . . . . . . . . . rr_1bbl 1
. 1 . 233 . 1 1 25 LEU N N -10.557 -6.002 -6.509 . . . 1.0 . . . . . . . . . . . . A . 25 LEU N . . . . . . . . . rr_1bbl 1
. 1 . 234 . 1 1 25 LEU O O -10.839 -3.202 -6.715 . . . 1.0 . . . . . . . . . . . . A . 25 LEU O . . . . . . . . . rr_1bbl 1
. 1 . 235 . 1 1 26 ASP C C -12.994 -0.965 -5.497 . . . 1.0 . . . . . . . . . . . . A . 26 ASP C . . . . . . . . . rr_1bbl 1
. 1 . 236 . 1 1 26 ASP CA C -13.293 -2.049 -6.539 . . . 1.0 . . . . . . . . . . . . A . 26 ASP CA . . . . . . . . . rr_1bbl 1
. 1 . 237 . 1 1 26 ASP CB C -14.782 -2.033 -6.880 . . . 1.0 . . . . . . . . . . . . A . 26 ASP CB . . . . . . . . . rr_1bbl 1
. 1 . 238 . 1 1 26 ASP CG C -15.018 -2.851 -8.151 . . . 1.0 . . . . . . . . . . . . A . 26 ASP CG . . . . . . . . . rr_1bbl 1
. 1 . 239 . 1 1 26 ASP H H -13.599 -3.939 -5.541 . . . 1.0 . . . . . . . . . . . . A . 26 ASP H . . . . . . . . . rr_1bbl 1
. 1 . 240 . 1 1 26 ASP HA H -12.722 -1.854 -7.430 . . . 1.0 . . . . . . . . . . . . A . 26 ASP HA . . . . . . . . . rr_1bbl 1
. 1 . 241 . 1 1 26 ASP HB2 H -15.347 -2.465 -6.068 . . . 1.0 . . . . . . . . . . . . A . 26 ASP HB2 . . . . . . . . . rr_1bbl 1
. 1 . 242 . 1 1 26 ASP HB3 H -15.109 -1.016 -7.042 . . . 1.0 . . . . . . . . . . . . A . 26 ASP HB3 . . . . . . . . . rr_1bbl 1
. 1 . 243 . 1 1 26 ASP N N -12.929 -3.393 -6.002 . . . 1.0 . . . . . . . . . . . . A . 26 ASP N . . . . . . . . . rr_1bbl 1
. 1 . 244 . 1 1 26 ASP O O -13.661 -0.872 -4.486 . . . 1.0 . . . . . . . . . . . . A . 26 ASP O . . . . . . . . . rr_1bbl 1
. 1 . 245 . 1 1 26 ASP OD1 O -14.164 -3.674 -8.433 . . . 1.0 . . . . . . . . . . . . A . 26 ASP OD1 . . . . . . . . . rr_1bbl 1
. 1 . 246 . 1 1 26 ASP OD2 O -16.041 -2.605 -8.771 . . . 1.0 . . . . . . . . . . . . A . 26 ASP OD2 . . . . . . . . . rr_1bbl 1
. 1 . 247 . 1 1 27 ALA C C -12.808 1.900 -4.659 . . . 1.0 . . . . . . . . . . . . A . 27 ALA C . . . . . . . . . rr_1bbl 1
. 1 . 248 . 1 1 27 ALA CA C -11.642 0.916 -4.806 . . . 1.0 . . . . . . . . . . . . A . 27 ALA CA . . . . . . . . . rr_1bbl 1
. 1 . 249 . 1 1 27 ALA CB C -10.411 1.658 -5.323 . . . 1.0 . . . . . . . . . . . . A . 27 ALA CB . . . . . . . . . rr_1bbl 1
. 1 . 250 . 1 1 27 ALA H H -11.488 -0.278 -6.598 . . . 1.0 . . . . . . . . . . . . A . 27 ALA H . . . . . . . . . rr_1bbl 1
. 1 . 251 . 1 1 27 ALA HA H -11.418 0.482 -3.847 . . . 1.0 . . . . . . . . . . . . A . 27 ALA HA . . . . . . . . . rr_1bbl 1
. 1 . 252 . 1 1 27 ALA HB1 H -9.957 1.097 -6.126 . . . 1.0 . . . . . . . . . . . . A . 27 ALA HB1 . . . . . . . . . rr_1bbl 1
. 1 . 253 . 1 1 27 ALA HB2 H -10.700 2.633 -5.689 . . . 1.0 . . . . . . . . . . . . A . 27 ALA HB2 . . . . . . . . . rr_1bbl 1
. 1 . 254 . 1 1 27 ALA HB3 H -9.695 1.777 -4.523 . . . 1.0 . . . . . . . . . . . . A . 27 ALA HB3 . . . . . . . . . rr_1bbl 1
. 1 . 255 . 1 1 27 ALA N N -11.998 -0.167 -5.769 . . . 1.0 . . . . . . . . . . . . A . 27 ALA N . . . . . . . . . rr_1bbl 1
. 1 . 256 . 1 1 27 ALA O O -12.856 2.675 -3.725 . . . 1.0 . . . . . . . . . . . . A . 27 ALA O . . . . . . . . . rr_1bbl 1
. 1 . 257 . 1 1 28 SER C C -15.694 2.521 -4.239 . . . 1.0 . . . . . . . . . . . . A . 28 SER C . . . . . . . . . rr_1bbl 1
. 1 . 258 . 1 1 28 SER CA C -14.891 2.773 -5.520 . . . 1.0 . . . . . . . . . . . . A . 28 SER CA . . . . . . . . . rr_1bbl 1
. 1 . 259 . 1 1 28 SER CB C -15.786 2.539 -6.735 . . . 1.0 . . . . . . . . . . . . A . 28 SER CB . . . . . . . . . rr_1bbl 1
. 1 . 260 . 1 1 28 SER H H -13.643 1.205 -6.325 . . . 1.0 . . . . . . . . . . . . A . 28 SER H . . . . . . . . . rr_1bbl 1
. 1 . 261 . 1 1 28 SER HA H -14.541 3.792 -5.528 . . . 1.0 . . . . . . . . . . . . A . 28 SER HA . . . . . . . . . rr_1bbl 1
. 1 . 262 . 1 1 28 SER HB2 H -16.051 1.495 -6.820 . . . 1.0 . . . . . . . . . . . . A . 28 SER HB2 . . . . . . . . . rr_1bbl 1
. 1 . 263 . 1 1 28 SER HB3 H -16.674 3.150 -6.681 . . . 1.0 . . . . . . . . . . . . A . 28 SER HB3 . . . . . . . . . rr_1bbl 1
. 1 . 264 . 1 1 28 SER HG H -15.568 3.150 -8.568 . . . 1.0 . . . . . . . . . . . . A . 28 SER HG . . . . . . . . . rr_1bbl 1
. 1 . 265 . 1 1 28 SER N N -13.723 1.847 -5.588 . . . 1.0 . . . . . . . . . . . . A . 28 SER N . . . . . . . . . rr_1bbl 1
. 1 . 266 . 1 1 28 SER O O -16.335 3.413 -3.720 . . . 1.0 . . . . . . . . . . . . A . 28 SER O . . . . . . . . . rr_1bbl 1
. 1 . 267 . 1 1 28 SER OG O -14.984 2.933 -7.838 . . . 1.0 . . . . . . . . . . . . A . 28 SER OG . . . . . . . . . rr_1bbl 1
. 1 . 268 . 1 1 29 ALA C C -15.557 1.333 -1.278 . . . 1.0 . . . . . . . . . . . . A . 29 ALA C . . . . . . . . . rr_1bbl 1
. 1 . 269 . 1 1 29 ALA CA C -16.395 0.984 -2.512 . . . 1.0 . . . . . . . . . . . . A . 29 ALA CA . . . . . . . . . rr_1bbl 1
. 1 . 270 . 1 1 29 ALA CB C -16.719 -0.511 -2.503 . . . 1.0 . . . . . . . . . . . . A . 29 ALA CB . . . . . . . . . rr_1bbl 1
. 1 . 271 . 1 1 29 ALA H H -15.108 0.621 -4.208 . . . 1.0 . . . . . . . . . . . . A . 29 ALA H . . . . . . . . . rr_1bbl 1
. 1 . 272 . 1 1 29 ALA HA H -17.312 1.546 -2.492 . . . 1.0 . . . . . . . . . . . . A . 29 ALA HA . . . . . . . . . rr_1bbl 1
. 1 . 273 . 1 1 29 ALA HB1 H -16.979 -0.834 -3.499 . . . 1.0 . . . . . . . . . . . . A . 29 ALA HB1 . . . . . . . . . rr_1bbl 1
. 1 . 274 . 1 1 29 ALA HB2 H -15.859 -1.067 -2.161 . . . 1.0 . . . . . . . . . . . . A . 29 ALA HB2 . . . . . . . . . rr_1bbl 1
. 1 . 275 . 1 1 29 ALA HB3 H -17.551 -0.699 -1.839 . . . 1.0 . . . . . . . . . . . . A . 29 ALA HB3 . . . . . . . . . rr_1bbl 1
. 1 . 276 . 1 1 29 ALA N N -15.640 1.310 -3.757 . . . 1.0 . . . . . . . . . . . . A . 29 ALA N . . . . . . . . . rr_1bbl 1
. 1 . 277 . 1 1 29 ALA O O -16.059 1.373 -0.173 . . . 1.0 . . . . . . . . . . . . A . 29 ALA O . . . . . . . . . rr_1bbl 1
. 1 . 278 . 1 1 30 ILE C C -13.248 3.449 -0.241 . . . 1.0 . . . . . . . . . . . . A . 30 ILE C . . . . . . . . . rr_1bbl 1
. 1 . 279 . 1 1 30 ILE CA C -13.402 1.927 -0.348 . . . 1.0 . . . . . . . . . . . . A . 30 ILE CA . . . . . . . . . rr_1bbl 1
. 1 . 280 . 1 1 30 ILE CB C -12.024 1.287 -0.579 . . . 1.0 . . . . . . . . . . . . A . 30 ILE CB . . . . . . . . . rr_1bbl 1
. 1 . 281 . 1 1 30 ILE CD1 C -13.037 -0.891 0.188 . . . 1.0 . . . . . . . . . . . . A . 30 ILE CD1 . . . . . . . . . rr_1bbl 1
. 1 . 282 . 1 1 30 ILE CG1 C -12.204 -0.210 -0.905 . . . 1.0 . . . . . . . . . . . . A . 30 ILE CG1 . . . . . . . . . rr_1bbl 1
. 1 . 283 . 1 1 30 ILE CG2 C -11.147 1.457 0.681 . . . 1.0 . . . . . . . . . . . . A . 30 ILE CG2 . . . . . . . . . rr_1bbl 1
. 1 . 284 . 1 1 30 ILE H H -13.931 1.539 -2.407 . . . 1.0 . . . . . . . . . . . . A . 30 ILE H . . . . . . . . . rr_1bbl 1
. 1 . 285 . 1 1 30 ILE HA H -13.831 1.548 0.561 . . . 1.0 . . . . . . . . . . . . A . 30 ILE HA . . . . . . . . . rr_1bbl 1
. 1 . 286 . 1 1 30 ILE HB H -11.542 1.776 -1.412 . . . 1.0 . . . . . . . . . . . . A . 30 ILE HB . . . . . . . . . rr_1bbl 1
. 1 . 287 . 1 1 30 ILE HD11 H -12.768 -0.500 1.156 . . . 1.0 . . . . . . . . . . . . A . 30 ILE HD11 . . . . . . . . . rr_1bbl 1
. 1 . 288 . 1 1 30 ILE HD12 H -14.087 -0.711 0.011 . . . 1.0 . . . . . . . . . . . . A . 30 ILE HD12 . . . . . . . . . rr_1bbl 1
. 1 . 289 . 1 1 30 ILE HD13 H -12.854 -1.955 0.173 . . . 1.0 . . . . . . . . . . . . A . 30 ILE HD13 . . . . . . . . . rr_1bbl 1
. 1 . 290 . 1 1 30 ILE HG12 H -12.710 -0.309 -1.854 . . . 1.0 . . . . . . . . . . . . A . 30 ILE HG12 . . . . . . . . . rr_1bbl 1
. 1 . 291 . 1 1 30 ILE HG13 H -11.237 -0.687 -0.975 . . . 1.0 . . . . . . . . . . . . A . 30 ILE HG13 . . . . . . . . . rr_1bbl 1
. 1 . 292 . 1 1 30 ILE HG21 H -11.767 1.632 1.545 . . . 1.0 . . . . . . . . . . . . A . 30 ILE HG21 . . . . . . . . . rr_1bbl 1
. 1 . 293 . 1 1 30 ILE HG22 H -10.559 0.567 0.843 . . . 1.0 . . . . . . . . . . . . A . 30 ILE HG22 . . . . . . . . . rr_1bbl 1
. 1 . 294 . 1 1 30 ILE HG23 H -10.482 2.299 0.548 . . . 1.0 . . . . . . . . . . . . A . 30 ILE HG23 . . . . . . . . . rr_1bbl 1
. 1 . 295 . 1 1 30 ILE N N -14.293 1.581 -1.496 . . . 1.0 . . . . . . . . . . . . A . 30 ILE N . . . . . . . . . rr_1bbl 1
. 1 . 296 . 1 1 30 ILE O O -13.228 4.146 -1.236 . . . 1.0 . . . . . . . . . . . . A . 30 ILE O . . . . . . . . . rr_1bbl 1
. 1 . 297 . 1 1 31 LYS C C -11.506 5.767 1.286 . . . 1.0 . . . . . . . . . . . . A . 31 LYS C . . . . . . . . . rr_1bbl 1
. 1 . 298 . 1 1 31 LYS CA C -12.989 5.404 1.160 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CA . . . . . . . . . rr_1bbl 1
. 1 . 299 . 1 1 31 LYS CB C -13.725 5.823 2.432 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CB . . . . . . . . . rr_1bbl 1
. 1 . 300 . 1 1 31 LYS CD C -15.903 5.717 3.642 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CD . . . . . . . . . rr_1bbl 1
. 1 . 301 . 1 1 31 LYS CE C -17.409 5.507 3.468 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CE . . . . . . . . . rr_1bbl 1
. 1 . 302 . 1 1 31 LYS CG C -15.198 5.427 2.315 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CG . . . . . . . . . rr_1bbl 1
. 1 . 303 . 1 1 31 LYS H H -13.168 3.331 1.743 . . . 1.0 . . . . . . . . . . . . A . 31 LYS H . . . . . . . . . rr_1bbl 1
. 1 . 304 . 1 1 31 LYS HA H -13.413 5.920 0.316 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HA . . . . . . . . . rr_1bbl 1
. 1 . 305 . 1 1 31 LYS HB2 H -13.283 5.330 3.285 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HB2 . . . . . . . . . rr_1bbl 1
. 1 . 306 . 1 1 31 LYS HB3 H -13.646 6.893 2.561 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HB3 . . . . . . . . . rr_1bbl 1
. 1 . 307 . 1 1 31 LYS HD2 H -15.529 5.049 4.404 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HD2 . . . . . . . . . rr_1bbl 1
. 1 . 308 . 1 1 31 LYS HD3 H -15.711 6.737 3.939 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HD3 . . . . . . . . . rr_1bbl 1
. 1 . 309 . 1 1 31 LYS HE2 H -17.600 5.028 2.519 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HE2 . . . . . . . . . rr_1bbl 1
. 1 . 310 . 1 1 31 LYS HE3 H -17.780 4.877 4.262 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HE3 . . . . . . . . . rr_1bbl 1
. 1 . 311 . 1 1 31 LYS HG2 H -15.665 5.994 1.524 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HG2 . . . . . . . . . rr_1bbl 1
. 1 . 312 . 1 1 31 LYS HG3 H -15.274 4.373 2.086 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HG3 . . . . . . . . . rr_1bbl 1
. 1 . 313 . 1 1 31 LYS HZ1 H -17.500 7.562 3.148 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HZ1 . . . . . . . . . rr_1bbl 1
. 1 . 314 . 1 1 31 LYS HZ2 H -18.978 6.758 2.915 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HZ2 . . . . . . . . . rr_1bbl 1
. 1 . 315 . 1 1 31 LYS HZ3 H -18.398 7.028 4.488 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HZ3 . . . . . . . . . rr_1bbl 1
. 1 . 316 . 1 1 31 LYS N N -13.144 3.931 0.968 . . . 1.0 . . . . . . . . . . . . A . 31 LYS N . . . . . . . . . rr_1bbl 1
. 1 . 317 . 1 1 31 LYS NZ N -18.125 6.812 3.508 . . . 1.0 . . . . . . . . . . . . A . 31 LYS NZ . . . . . . . . . rr_1bbl 1
. 1 . 318 . 1 1 31 LYS O O -10.814 5.268 2.152 . . . 1.0 . . . . . . . . . . . . A . 31 LYS O . . . . . . . . . rr_1bbl 1
. 1 . 319 . 1 1 32 GLY C C -9.460 8.323 1.282 . . . 1.0 . . . . . . . . . . . . A . 32 GLY C . . . . . . . . . rr_1bbl 1
. 1 . 320 . 1 1 32 GLY CA C -9.617 7.034 0.474 . . . 1.0 . . . . . . . . . . . . A . 32 GLY CA . . . . . . . . . rr_1bbl 1
. 1 . 321 . 1 1 32 GLY H H -11.644 7.003 -0.264 . . . 1.0 . . . . . . . . . . . . A . 32 GLY H . . . . . . . . . rr_1bbl 1
. 1 . 322 . 1 1 32 GLY HA2 H -9.041 6.248 0.940 . . . 1.0 . . . . . . . . . . . . A . 32 GLY HA2 . . . . . . . . . rr_1bbl 1
. 1 . 323 . 1 1 32 GLY HA3 H -9.253 7.196 -0.531 . . . 1.0 . . . . . . . . . . . . A . 32 GLY HA3 . . . . . . . . . rr_1bbl 1
. 1 . 324 . 1 1 32 GLY N N -11.050 6.628 0.418 . . . 1.0 . . . . . . . . . . . . A . 32 GLY N . . . . . . . . . rr_1bbl 1
. 1 . 325 . 1 1 32 GLY O O -9.417 9.405 0.729 . . . 1.0 . . . . . . . . . . . . A . 32 GLY O . . . . . . . . . rr_1bbl 1
. 1 . 326 . 1 1 33 THR C C -7.769 9.880 3.407 . . . 1.0 . . . . . . . . . . . . A . 33 THR C . . . . . . . . . rr_1bbl 1
. 1 . 327 . 1 1 33 THR CA C -9.222 9.392 3.438 . . . 1.0 . . . . . . . . . . . . A . 33 THR CA . . . . . . . . . rr_1bbl 1
. 1 . 328 . 1 1 33 THR CB C -9.610 9.038 4.876 . . . 1.0 . . . . . . . . . . . . A . 33 THR CB . . . . . . . . . rr_1bbl 1
. 1 . 329 . 1 1 33 THR CG2 C -11.056 8.560 4.965 . . . 1.0 . . . . . . . . . . . . A . 33 THR CG2 . . . . . . . . . rr_1bbl 1
. 1 . 330 . 1 1 33 THR H H -9.419 7.290 2.981 . . . 1.0 . . . . . . . . . . . . A . 33 THR H . . . . . . . . . rr_1bbl 1
. 1 . 331 . 1 1 33 THR HA H -9.868 10.173 3.077 . . . 1.0 . . . . . . . . . . . . A . 33 THR HA . . . . . . . . . rr_1bbl 1
. 1 . 332 . 1 1 33 THR HB H -9.424 9.849 5.557 . . . 1.0 . . . . . . . . . . . . A . 33 THR HB . . . . . . . . . rr_1bbl 1
. 1 . 333 . 1 1 33 THR HG1 H -8.279 7.687 4.430 . . . 1.0 . . . . . . . . . . . . A . 33 THR HG1 . . . . . . . . . rr_1bbl 1
. 1 . 334 . 1 1 33 THR HG21 H -11.384 8.205 3.998 . . . 1.0 . . . . . . . . . . . . A . 33 THR HG21 . . . . . . . . . rr_1bbl 1
. 1 . 335 . 1 1 33 THR HG22 H -11.132 7.757 5.682 . . . 1.0 . . . . . . . . . . . . A . 33 THR HG22 . . . . . . . . . rr_1bbl 1
. 1 . 336 . 1 1 33 THR HG23 H -11.692 9.376 5.277 . . . 1.0 . . . . . . . . . . . . A . 33 THR HG23 . . . . . . . . . rr_1bbl 1
. 1 . 337 . 1 1 33 THR N N -9.378 8.183 2.577 . . . 1.0 . . . . . . . . . . . . A . 33 THR N . . . . . . . . . rr_1bbl 1
. 1 . 338 . 1 1 33 THR O O -7.268 10.407 4.380 . . . 1.0 . . . . . . . . . . . . A . 33 THR O . . . . . . . . . rr_1bbl 1
. 1 . 339 . 1 1 33 THR OG1 O -8.817 7.899 5.196 . . . 1.0 . . . . . . . . . . . . A . 33 THR OG1 . . . . . . . . . rr_1bbl 1
. 1 . 340 . 1 1 34 GLY C C -5.614 11.657 2.335 . . . 1.0 . . . . . . . . . . . . A . 34 GLY C . . . . . . . . . rr_1bbl 1
. 1 . 341 . 1 1 34 GLY CA C -5.708 10.138 2.176 . . . 1.0 . . . . . . . . . . . . A . 34 GLY CA . . . . . . . . . rr_1bbl 1
. 1 . 342 . 1 1 34 GLY H H -7.569 9.261 1.528 . . . 1.0 . . . . . . . . . . . . A . 34 GLY H . . . . . . . . . rr_1bbl 1
. 1 . 343 . 1 1 34 GLY HA2 H -5.121 9.662 2.947 . . . 1.0 . . . . . . . . . . . . A . 34 GLY HA2 . . . . . . . . . rr_1bbl 1
. 1 . 344 . 1 1 34 GLY HA3 H -5.319 9.857 1.208 . . . 1.0 . . . . . . . . . . . . A . 34 GLY HA3 . . . . . . . . . rr_1bbl 1
. 1 . 345 . 1 1 34 GLY N N -7.125 9.692 2.288 . . . 1.0 . . . . . . . . . . . . A . 34 GLY N . . . . . . . . . rr_1bbl 1
. 1 . 346 . 1 1 34 GLY O O -6.616 12.333 2.466 . . . 1.0 . . . . . . . . . . . . A . 34 GLY O . . . . . . . . . rr_1bbl 1
. 1 . 347 . 1 1 35 VAL C C -4.784 14.363 1.236 . . . 1.0 . . . . . . . . . . . . A . 35 VAL C . . . . . . . . . rr_1bbl 1
. 1 . 348 . 1 1 35 VAL CA C -4.237 13.639 2.470 . . . 1.0 . . . . . . . . . . . . A . 35 VAL CA . . . . . . . . . rr_1bbl 1
. 1 . 349 . 1 1 35 VAL CB C -2.751 13.953 2.629 . . . 1.0 . . . . . . . . . . . . A . 35 VAL CB . . . . . . . . . rr_1bbl 1
. 1 . 350 . 1 1 35 VAL CG1 C -2.573 15.457 2.848 . . . 1.0 . . . . . . . . . . . . A . 35 VAL CG1 . . . . . . . . . rr_1bbl 1
. 1 . 351 . 1 1 35 VAL CG2 C -2.204 13.200 3.843 . . . 1.0 . . . . . . . . . . . . A . 35 VAL CG2 . . . . . . . . . rr_1bbl 1
. 1 . 352 . 1 1 35 VAL H H -3.631 11.581 2.213 . . . 1.0 . . . . . . . . . . . . A . 35 VAL H . . . . . . . . . rr_1bbl 1
. 1 . 353 . 1 1 35 VAL HA H -4.767 13.974 3.345 . . . 1.0 . . . . . . . . . . . . A . 35 VAL HA . . . . . . . . . rr_1bbl 1
. 1 . 354 . 1 1 35 VAL HB H -2.216 13.649 1.741 . . . 1.0 . . . . . . . . . . . . A . 35 VAL HB . . . . . . . . . rr_1bbl 1
. 1 . 355 . 1 1 35 VAL HG11 H -3.310 15.811 3.554 . . . 1.0 . . . . . . . . . . . . A . 35 VAL HG11 . . . . . . . . . rr_1bbl 1
. 1 . 356 . 1 1 35 VAL HG12 H -1.585 15.656 3.235 . . . 1.0 . . . . . . . . . . . . A . 35 VAL HG12 . . . . . . . . . rr_1bbl 1
. 1 . 357 . 1 1 35 VAL HG13 H -2.699 15.979 1.911 . . . 1.0 . . . . . . . . . . . . A . 35 VAL HG13 . . . . . . . . . rr_1bbl 1
. 1 . 358 . 1 1 35 VAL HG21 H -2.767 13.471 4.724 . . . 1.0 . . . . . . . . . . . . A . 35 VAL HG21 . . . . . . . . . rr_1bbl 1
. 1 . 359 . 1 1 35 VAL HG22 H -2.289 12.136 3.681 . . . 1.0 . . . . . . . . . . . . A . 35 VAL HG22 . . . . . . . . . rr_1bbl 1
. 1 . 360 . 1 1 35 VAL HG23 H -1.164 13.454 3.993 . . . 1.0 . . . . . . . . . . . . A . 35 VAL HG23 . . . . . . . . . rr_1bbl 1
. 1 . 361 . 1 1 35 VAL N N -4.412 12.164 2.321 . . . 1.0 . . . . . . . . . . . . A . 35 VAL N . . . . . . . . . rr_1bbl 1
. 1 . 362 . 1 1 35 VAL O O -4.031 14.781 0.377 . . . 1.0 . . . . . . . . . . . . A . 35 VAL O . . . . . . . . . rr_1bbl 1
. 1 . 363 . 1 1 36 GLY C C -7.739 14.266 -0.660 . . . 1.0 . . . . . . . . . . . . A . 36 GLY C . . . . . . . . . rr_1bbl 1
. 1 . 364 . 1 1 36 GLY CA C -6.718 15.186 0.013 . . . 1.0 . . . . . . . . . . . . A . 36 GLY CA . . . . . . . . . rr_1bbl 1
. 1 . 365 . 1 1 36 GLY H H -6.647 14.139 1.901 . . . 1.0 . . . . . . . . . . . . A . 36 GLY H . . . . . . . . . rr_1bbl 1
. 1 . 366 . 1 1 36 GLY HA2 H -7.218 16.079 0.358 . . . 1.0 . . . . . . . . . . . . A . 36 GLY HA2 . . . . . . . . . rr_1bbl 1
. 1 . 367 . 1 1 36 GLY HA3 H -5.959 15.458 -0.703 . . . 1.0 . . . . . . . . . . . . A . 36 GLY HA3 . . . . . . . . . rr_1bbl 1
. 1 . 368 . 1 1 36 GLY N N -6.087 14.494 1.179 . . . 1.0 . . . . . . . . . . . . A . 36 GLY N . . . . . . . . . rr_1bbl 1
. 1 . 369 . 1 1 36 GLY O O -8.181 14.526 -1.762 . . . 1.0 . . . . . . . . . . . . A . 36 GLY O . . . . . . . . . rr_1bbl 1
. 1 . 370 . 1 1 37 GLY C C -8.374 11.236 -1.458 . . . 1.0 . . . . . . . . . . . . A . 37 GLY C . . . . . . . . . rr_1bbl 1
. 1 . 371 . 1 1 37 GLY CA C -9.081 12.260 -0.568 . . . 1.0 . . . . . . . . . . . . A . 37 GLY CA . . . . . . . . . rr_1bbl 1
. 1 . 372 . 1 1 37 GLY H H -7.709 13.039 0.904 . . . 1.0 . . . . . . . . . . . . A . 37 GLY H . . . . . . . . . rr_1bbl 1
. 1 . 373 . 1 1 37 GLY HA2 H -9.597 11.746 0.230 . . . 1.0 . . . . . . . . . . . . A . 37 GLY HA2 . . . . . . . . . rr_1bbl 1
. 1 . 374 . 1 1 37 GLY HA3 H -9.797 12.812 -1.158 . . . 1.0 . . . . . . . . . . . . A . 37 GLY HA3 . . . . . . . . . rr_1bbl 1
. 1 . 375 . 1 1 37 GLY N N -8.091 13.208 0.018 . . . 1.0 . . . . . . . . . . . . A . 37 GLY N . . . . . . . . . rr_1bbl 1
. 1 . 376 . 1 1 37 GLY O O -8.940 10.749 -2.418 . . . 1.0 . . . . . . . . . . . . A . 37 GLY O . . . . . . . . . rr_1bbl 1
. 1 . 377 . 1 1 38 ARG C C -6.547 8.533 -1.344 . . . 1.0 . . . . . . . . . . . . A . 38 ARG C . . . . . . . . . rr_1bbl 1
. 1 . 378 . 1 1 38 ARG CA C -6.393 9.937 -1.938 . . . 1.0 . . . . . . . . . . . . A . 38 ARG CA . . . . . . . . . rr_1bbl 1
. 1 . 379 . 1 1 38 ARG CB C -4.915 10.326 -1.949 . . . 1.0 . . . . . . . . . . . . A . 38 ARG CB . . . . . . . . . rr_1bbl 1
. 1 . 380 . 1 1 38 ARG CD C -3.453 12.267 -2.506 . . . 1.0 . . . . . . . . . . . . A . 38 ARG CD . . . . . . . . . rr_1bbl 1
. 1 . 381 . 1 1 38 ARG CG C -4.711 11.496 -2.911 . . . 1.0 . . . . . . . . . . . . A . 38 ARG CG . . . . . . . . . rr_1bbl 1
. 1 . 382 . 1 1 38 ARG CZ C -1.313 11.529 -3.348 . . . 1.0 . . . . . . . . . . . . A . 38 ARG CZ . . . . . . . . . rr_1bbl 1
. 1 . 383 . 1 1 38 ARG H H -6.735 11.347 -0.338 . . . 1.0 . . . . . . . . . . . . A . 38 ARG H . . . . . . . . . rr_1bbl 1
. 1 . 384 . 1 1 38 ARG HA H -6.769 9.942 -2.946 . . . 1.0 . . . . . . . . . . . . A . 38 ARG HA . . . . . . . . . rr_1bbl 1
. 1 . 385 . 1 1 38 ARG HB2 H -4.609 10.616 -0.955 . . . 1.0 . . . . . . . . . . . . A . 38 ARG HB2 . . . . . . . . . rr_1bbl 1
. 1 . 386 . 1 1 38 ARG HB3 H -4.320 9.483 -2.271 . . . 1.0 . . . . . . . . . . . . A . 38 ARG HB3 . . . . . . . . . rr_1bbl 1
. 1 . 387 . 1 1 38 ARG HD2 H -3.269 13.067 -3.209 . . . 1.0 . . . . . . . . . . . . A . 38 ARG HD2 . . . . . . . . . rr_1bbl 1
. 1 . 388 . 1 1 38 ARG HD3 H -3.579 12.681 -1.517 . . . 1.0 . . . . . . . . . . . . A . 38 ARG HD3 . . . . . . . . . rr_1bbl 1
. 1 . 389 . 1 1 38 ARG HE H -2.264 10.578 -1.882 . . . 1.0 . . . . . . . . . . . . A . 38 ARG HE . . . . . . . . . rr_1bbl 1
. 1 . 390 . 1 1 38 ARG HG2 H -4.599 11.124 -3.919 . . . 1.0 . . . . . . . . . . . . A . 38 ARG HG2 . . . . . . . . . rr_1bbl 1
. 1 . 391 . 1 1 38 ARG HG3 H -5.568 12.154 -2.871 . . . 1.0 . . . . . . . . . . . . A . 38 ARG HG3 . . . . . . . . . rr_1bbl 1
. 1 . 392 . 1 1 38 ARG HH11 H -1.171 13.476 -2.905 . . . 1.0 . . . . . . . . . . . . A . 38 ARG HH11 . . . . . . . . . rr_1bbl 1
. 1 . 393 . 1 1 38 ARG HH12 H -0.056 12.895 -4.097 . . . 1.0 . . . . . . . . . . . . A . 38 ARG HH12 . . . . . . . . . rr_1bbl 1
. 1 . 394 . 1 1 38 ARG HH21 H -1.284 9.615 -3.936 . . . 1.0 . . . . . . . . . . . . A . 38 ARG HH21 . . . . . . . . . rr_1bbl 1
. 1 . 395 . 1 1 38 ARG HH22 H -0.122 10.651 -4.696 . . . 1.0 . . . . . . . . . . . . A . 38 ARG HH22 . . . . . . . . . rr_1bbl 1
. 1 . 396 . 1 1 38 ARG N N -7.151 10.929 -1.121 . . . 1.0 . . . . . . . . . . . . A . 38 ARG N . . . . . . . . . rr_1bbl 1
. 1 . 397 . 1 1 38 ARG NE N -2.292 11.333 -2.507 . . . 1.0 . . . . . . . . . . . . A . 38 ARG NE . . . . . . . . . rr_1bbl 1
. 1 . 398 . 1 1 38 ARG NH1 N -0.807 12.726 -3.458 . . . 1.0 . . . . . . . . . . . . A . 38 ARG NH1 . . . . . . . . . rr_1bbl 1
. 1 . 399 . 1 1 38 ARG NH2 N -0.872 10.519 -4.048 . . . 1.0 . . . . . . . . . . . . A . 38 ARG NH2 . . . . . . . . . rr_1bbl 1
. 1 . 400 . 1 1 38 ARG O O -6.923 8.379 -0.198 . . . 1.0 . . . . . . . . . . . . A . 38 ARG O . . . . . . . . . rr_1bbl 1
. 1 . 401 . 1 1 39 LEU C C -5.019 5.625 -1.152 . . . 1.0 . . . . . . . . . . . . A . 39 LEU C . . . . . . . . . rr_1bbl 1
. 1 . 402 . 1 1 39 LEU CA C -6.380 6.138 -1.636 . . . 1.0 . . . . . . . . . . . . A . 39 LEU CA . . . . . . . . . rr_1bbl 1
. 1 . 403 . 1 1 39 LEU CB C -6.887 5.247 -2.769 . . . 1.0 . . . . . . . . . . . . A . 39 LEU CB . . . . . . . . . rr_1bbl 1
. 1 . 404 . 1 1 39 LEU CD1 C -8.852 3.997 -1.877 . . . 1.0 . . . . . . . . . . . . A . 39 LEU CD1 . . . . . . . . . rr_1bbl 1
. 1 . 405 . 1 1 39 LEU CD2 C -7.115 2.802 -3.210 . . . 1.0 . . . . . . . . . . . . A . 39 LEU CD2 . . . . . . . . . rr_1bbl 1
. 1 . 406 . 1 1 39 LEU CG C -7.356 3.913 -2.185 . . . 1.0 . . . . . . . . . . . . A . 39 LEU CG . . . . . . . . . rr_1bbl 1
. 1 . 407 . 1 1 39 LEU H H -5.954 7.711 -3.055 . . . 1.0 . . . . . . . . . . . . A . 39 LEU H . . . . . . . . . rr_1bbl 1
. 1 . 408 . 1 1 39 LEU HA H -7.082 6.112 -0.822 . . . 1.0 . . . . . . . . . . . . A . 39 LEU HA . . . . . . . . . rr_1bbl 1
. 1 . 409 . 1 1 39 LEU HB2 H -7.710 5.732 -3.272 . . . 1.0 . . . . . . . . . . . . A . 39 LEU HB2 . . . . . . . . . rr_1bbl 1
. 1 . 410 . 1 1 39 LEU HB3 H -6.091 5.073 -3.477 . . . 1.0 . . . . . . . . . . . . A . 39 LEU HB3 . . . . . . . . . rr_1bbl 1
. 1 . 411 . 1 1 39 LEU HD11 H -9.069 4.926 -1.373 . . . 1.0 . . . . . . . . . . . . A . 39 LEU HD11 . . . . . . . . . rr_1bbl 1
. 1 . 412 . 1 1 39 LEU HD12 H -9.417 3.951 -2.797 . . . 1.0 . . . . . . . . . . . . A . 39 LEU HD12 . . . . . . . . . rr_1bbl 1
. 1 . 413 . 1 1 39 LEU HD13 H -9.140 3.172 -1.242 . . . 1.0 . . . . . . . . . . . . A . 39 LEU HD13 . . . . . . . . . rr_1bbl 1
. 1 . 414 . 1 1 39 LEU HD21 H -7.601 3.053 -4.142 . . . 1.0 . . . . . . . . . . . . A . 39 LEU HD21 . . . . . . . . . rr_1bbl 1
. 1 . 415 . 1 1 39 LEU HD22 H -6.054 2.690 -3.383 . . . 1.0 . . . . . . . . . . . . A . 39 LEU HD22 . . . . . . . . . rr_1bbl 1
. 1 . 416 . 1 1 39 LEU HD23 H -7.515 1.871 -2.840 . . . 1.0 . . . . . . . . . . . . A . 39 LEU HD23 . . . . . . . . . rr_1bbl 1
. 1 . 417 . 1 1 39 LEU HG H -6.809 3.698 -1.280 . . . 1.0 . . . . . . . . . . . . A . 39 LEU HG . . . . . . . . . rr_1bbl 1
. 1 . 418 . 1 1 39 LEU N N -6.254 7.539 -2.137 . . . 1.0 . . . . . . . . . . . . A . 39 LEU N . . . . . . . . . rr_1bbl 1
. 1 . 419 . 1 1 39 LEU O O -4.111 5.434 -1.937 . . . 1.0 . . . . . . . . . . . . A . 39 LEU O . . . . . . . . . rr_1bbl 1
. 1 . 420 . 1 1 40 THR C C -3.670 3.389 0.854 . . . 1.0 . . . . . . . . . . . . A . 40 THR C . . . . . . . . . rr_1bbl 1
. 1 . 421 . 1 1 40 THR CA C -3.617 4.911 0.685 . . . 1.0 . . . . . . . . . . . . A . 40 THR CA . . . . . . . . . rr_1bbl 1
. 1 . 422 . 1 1 40 THR CB C -3.367 5.567 2.046 . . . 1.0 . . . . . . . . . . . . A . 40 THR CB . . . . . . . . . rr_1bbl 1
. 1 . 423 . 1 1 40 THR CG2 C -3.665 7.064 2.010 . . . 1.0 . . . . . . . . . . . . A . 40 THR CG2 . . . . . . . . . rr_1bbl 1
. 1 . 424 . 1 1 40 THR H H -5.670 5.581 0.726 . . . 1.0 . . . . . . . . . . . . A . 40 THR H . . . . . . . . . rr_1bbl 1
. 1 . 425 . 1 1 40 THR HA H -2.816 5.169 0.013 . . . 1.0 . . . . . . . . . . . . A . 40 THR HA . . . . . . . . . rr_1bbl 1
. 1 . 426 . 1 1 40 THR HB H -2.375 5.375 2.412 . . . 1.0 . . . . . . . . . . . . A . 40 THR HB . . . . . . . . . rr_1bbl 1
. 1 . 427 . 1 1 40 THR HG1 H -5.106 4.747 2.365 . . . 1.0 . . . . . . . . . . . . A . 40 THR HG1 . . . . . . . . . rr_1bbl 1
. 1 . 428 . 1 1 40 THR HG21 H -3.053 7.540 1.259 . . . 1.0 . . . . . . . . . . . . A . 40 THR HG21 . . . . . . . . . rr_1bbl 1
. 1 . 429 . 1 1 40 THR HG22 H -4.708 7.222 1.770 . . . 1.0 . . . . . . . . . . . . A . 40 THR HG22 . . . . . . . . . rr_1bbl 1
. 1 . 430 . 1 1 40 THR HG23 H -3.452 7.502 2.973 . . . 1.0 . . . . . . . . . . . . A . 40 THR HG23 . . . . . . . . . rr_1bbl 1
. 1 . 431 . 1 1 40 THR N N -4.910 5.413 0.130 . . . 1.0 . . . . . . . . . . . . A . 40 THR N . . . . . . . . . rr_1bbl 1
. 1 . 432 . 1 1 40 THR O O -4.539 2.733 0.316 . . . 1.0 . . . . . . . . . . . . A . 40 THR O . . . . . . . . . rr_1bbl 1
. 1 . 433 . 1 1 40 THR OG1 O -4.355 5.007 2.905 . . . 1.0 . . . . . . . . . . . . A . 40 THR OG1 . . . . . . . . . rr_1bbl 1
. 1 . 434 . 1 1 41 ARG C C -3.450 1.026 3.109 . . . 1.0 . . . . . . . . . . . . A . 41 ARG C . . . . . . . . . rr_1bbl 1
. 1 . 435 . 1 1 41 ARG CA C -2.718 1.384 1.811 . . . 1.0 . . . . . . . . . . . . A . 41 ARG CA . . . . . . . . . rr_1bbl 1
. 1 . 436 . 1 1 41 ARG CB C -1.268 0.911 1.899 . . . 1.0 . . . . . . . . . . . . A . 41 ARG CB . . . . . . . . . rr_1bbl 1
. 1 . 437 . 1 1 41 ARG CD C 0.234 -1.073 1.748 . . . 1.0 . . . . . . . . . . . . A . 41 ARG CD . . . . . . . . . rr_1bbl 1
. 1 . 438 . 1 1 41 ARG CG C -1.223 -0.608 1.718 . . . 1.0 . . . . . . . . . . . . A . 41 ARG CG . . . . . . . . . rr_1bbl 1
. 1 . 439 . 1 1 41 ARG CZ C 1.130 -2.913 3.029 . . . 1.0 . . . . . . . . . . . . A . 41 ARG CZ . . . . . . . . . rr_1bbl 1
. 1 . 440 . 1 1 41 ARG H H -2.055 3.430 2.013 . . . 1.0 . . . . . . . . . . . . A . 41 ARG H . . . . . . . . . rr_1bbl 1
. 1 . 441 . 1 1 41 ARG HA H -3.201 0.897 0.982 . . . 1.0 . . . . . . . . . . . . A . 41 ARG HA . . . . . . . . . rr_1bbl 1
. 1 . 442 . 1 1 41 ARG HB2 H -0.684 1.386 1.124 . . . 1.0 . . . . . . . . . . . . A . 41 ARG HB2 . . . . . . . . . rr_1bbl 1
. 1 . 443 . 1 1 41 ARG HB3 H -0.858 1.174 2.863 . . . 1.0 . . . . . . . . . . . . A . 41 ARG HB3 . . . . . . . . . rr_1bbl 1
. 1 . 444 . 1 1 41 ARG HD2 H 0.679 -0.948 0.771 . . . 1.0 . . . . . . . . . . . . A . 41 ARG HD2 . . . . . . . . . rr_1bbl 1
. 1 . 445 . 1 1 41 ARG HD3 H 0.790 -0.496 2.471 . . . 1.0 . . . . . . . . . . . . A . 41 ARG HD3 . . . . . . . . . rr_1bbl 1
. 1 . 446 . 1 1 41 ARG HE H -0.335 -3.154 1.706 . . . 1.0 . . . . . . . . . . . . A . 41 ARG HE . . . . . . . . . rr_1bbl 1
. 1 . 447 . 1 1 41 ARG HG2 H -1.772 -1.084 2.517 . . . 1.0 . . . . . . . . . . . . A . 41 ARG HG2 . . . . . . . . . rr_1bbl 1
. 1 . 448 . 1 1 41 ARG HG3 H -1.670 -0.874 0.772 . . . 1.0 . . . . . . . . . . . . A . 41 ARG HG3 . . . . . . . . . rr_1bbl 1
. 1 . 449 . 1 1 41 ARG HH11 H 2.505 -1.562 2.488 . . . 1.0 . . . . . . . . . . . . A . 41 ARG HH11 . . . . . . . . . rr_1bbl 1
. 1 . 450 . 1 1 41 ARG HH12 H 2.955 -2.607 3.795 . . . 1.0 . . . . . . . . . . . . A . 41 ARG HH12 . . . . . . . . . rr_1bbl 1
. 1 . 451 . 1 1 41 ARG HH21 H -0.096 -4.334 3.727 . . . 1.0 . . . . . . . . . . . . A . 41 ARG HH21 . . . . . . . . . rr_1bbl 1
. 1 . 452 . 1 1 41 ARG HH22 H 1.443 -4.217 4.515 . . . 1.0 . . . . . . . . . . . . A . 41 ARG HH22 . . . . . . . . . rr_1bbl 1
. 1 . 453 . 1 1 41 ARG N N -2.737 2.861 1.598 . . . 1.0 . . . . . . . . . . . . A . 41 ARG N . . . . . . . . . rr_1bbl 1
. 1 . 454 . 1 1 41 ARG NE N 0.274 -2.513 2.128 . . . 1.0 . . . . . . . . . . . . A . 41 ARG NE . . . . . . . . . rr_1bbl 1
. 1 . 455 . 1 1 41 ARG NH1 N 2.287 -2.313 3.110 . . . 1.0 . . . . . . . . . . . . A . 41 ARG NH1 . . . . . . . . . rr_1bbl 1
. 1 . 456 . 1 1 41 ARG NH2 N 0.800 -3.898 3.819 . . . 1.0 . . . . . . . . . . . . A . 41 ARG NH2 . . . . . . . . . rr_1bbl 1
. 1 . 457 . 1 1 41 ARG O O -3.966 -0.064 3.253 . . . 1.0 . . . . . . . . . . . . A . 41 ARG O . . . . . . . . . rr_1bbl 1
. 1 . 458 . 1 1 42 GLU C C -5.695 1.694 5.117 . . . 1.0 . . . . . . . . . . . . A . 42 GLU C . . . . . . . . . rr_1bbl 1
. 1 . 459 . 1 1 42 GLU CA C -4.176 1.685 5.319 . . . 1.0 . . . . . . . . . . . . A . 42 GLU CA . . . . . . . . . rr_1bbl 1
. 1 . 460 . 1 1 42 GLU CB C -3.791 2.765 6.327 . . . 1.0 . . . . . . . . . . . . A . 42 GLU CB . . . . . . . . . rr_1bbl 1
. 1 . 461 . 1 1 42 GLU CD C -2.054 3.484 7.971 . . . 1.0 . . . . . . . . . . . . A . 42 GLU CD . . . . . . . . . rr_1bbl 1
. 1 . 462 . 1 1 42 GLU CG C -2.470 2.379 6.996 . . . 1.0 . . . . . . . . . . . . A . 42 GLU CG . . . . . . . . . rr_1bbl 1
. 1 . 463 . 1 1 42 GLU H H -3.052 2.822 3.867 . . . 1.0 . . . . . . . . . . . . A . 42 GLU H . . . . . . . . . rr_1bbl 1
. 1 . 464 . 1 1 42 GLU HA H -3.871 0.724 5.694 . . . 1.0 . . . . . . . . . . . . A . 42 GLU HA . . . . . . . . . rr_1bbl 1
. 1 . 465 . 1 1 42 GLU HB2 H -3.679 3.712 5.820 . . . 1.0 . . . . . . . . . . . . A . 42 GLU HB2 . . . . . . . . . rr_1bbl 1
. 1 . 466 . 1 1 42 GLU HB3 H -4.564 2.855 7.077 . . . 1.0 . . . . . . . . . . . . A . 42 GLU HB3 . . . . . . . . . rr_1bbl 1
. 1 . 467 . 1 1 42 GLU HG2 H -2.590 1.453 7.536 . . . 1.0 . . . . . . . . . . . . A . 42 GLU HG2 . . . . . . . . . rr_1bbl 1
. 1 . 468 . 1 1 42 GLU HG3 H -1.702 2.259 6.246 . . . 1.0 . . . . . . . . . . . . A . 42 GLU HG3 . . . . . . . . . rr_1bbl 1
. 1 . 469 . 1 1 42 GLU N N -3.482 1.955 4.026 . . . 1.0 . . . . . . . . . . . . A . 42 GLU N . . . . . . . . . rr_1bbl 1
. 1 . 470 . 1 1 42 GLU O O -6.448 1.471 6.044 . . . 1.0 . . . . . . . . . . . . A . 42 GLU O . . . . . . . . . rr_1bbl 1
. 1 . 471 . 1 1 42 GLU OE1 O -2.930 4.259 8.315 . . . 1.0 . . . . . . . . . . . . A . 42 GLU OE1 . . . . . . . . . rr_1bbl 1
. 1 . 472 . 1 1 42 GLU OE2 O -0.885 3.489 8.316 . . . 1.0 . . . . . . . . . . . . A . 42 GLU OE2 . . . . . . . . . rr_1bbl 1
. 1 . 473 . 1 1 43 ASP C C -8.026 0.641 3.018 . . . 1.0 . . . . . . . . . . . . A . 43 ASP C . . . . . . . . . rr_1bbl 1
. 1 . 474 . 1 1 43 ASP CA C -7.577 1.977 3.622 . . . 1.0 . . . . . . . . . . . . A . 43 ASP CA . . . . . . . . . rr_1bbl 1
. 1 . 475 . 1 1 43 ASP CB C -7.872 3.106 2.636 . . . 1.0 . . . . . . . . . . . . A . 43 ASP CB . . . . . . . . . rr_1bbl 1
. 1 . 476 . 1 1 43 ASP CG C -7.773 4.449 3.361 . . . 1.0 . . . . . . . . . . . . A . 43 ASP CG . . . . . . . . . rr_1bbl 1
. 1 . 477 . 1 1 43 ASP H H -5.466 2.120 3.188 . . . 1.0 . . . . . . . . . . . . A . 43 ASP H . . . . . . . . . rr_1bbl 1
. 1 . 478 . 1 1 43 ASP HA H -8.116 2.154 4.537 . . . 1.0 . . . . . . . . . . . . A . 43 ASP HA . . . . . . . . . rr_1bbl 1
. 1 . 479 . 1 1 43 ASP HB2 H -7.156 3.084 1.828 . . . 1.0 . . . . . . . . . . . . A . 43 ASP HB2 . . . . . . . . . rr_1bbl 1
. 1 . 480 . 1 1 43 ASP HB3 H -8.868 2.990 2.234 . . . 1.0 . . . . . . . . . . . . A . 43 ASP HB3 . . . . . . . . . rr_1bbl 1
. 1 . 481 . 1 1 43 ASP N N -6.111 1.948 3.906 . . . 1.0 . . . . . . . . . . . . A . 43 ASP N . . . . . . . . . rr_1bbl 1
. 1 . 482 . 1 1 43 ASP O O -8.956 0.022 3.496 . . . 1.0 . . . . . . . . . . . . A . 43 ASP O . . . . . . . . . rr_1bbl 1
. 1 . 483 . 1 1 43 ASP OD1 O -8.781 4.830 3.935 . . . 1.0 . . . . . . . . . . . . A . 43 ASP OD1 . . . . . . . . . rr_1bbl 1
. 1 . 484 . 1 1 43 ASP OD2 O -6.697 5.019 3.301 . . . 1.0 . . . . . . . . . . . . A . 43 ASP OD2 . . . . . . . . . rr_1bbl 1
. 1 . 485 . 1 1 44 VAL C C -7.381 -2.242 2.249 . . . 1.0 . . . . . . . . . . . . A . 44 VAL C . . . . . . . . . rr_1bbl 1
. 1 . 486 . 1 1 44 VAL CA C -7.729 -1.065 1.331 . . . 1.0 . . . . . . . . . . . . A . 44 VAL CA . . . . . . . . . rr_1bbl 1
. 1 . 487 . 1 1 44 VAL CB C -6.965 -1.203 0.014 . . . 1.0 . . . . . . . . . . . . A . 44 VAL CB . . . . . . . . . rr_1bbl 1
. 1 . 488 . 1 1 44 VAL CG1 C -7.366 -2.512 -0.667 . . . 1.0 . . . . . . . . . . . . A . 44 VAL CG1 . . . . . . . . . rr_1bbl 1
. 1 . 489 . 1 1 44 VAL CG2 C -7.320 -0.030 -0.899 . . . 1.0 . . . . . . . . . . . . A . 44 VAL CG2 . . . . . . . . . rr_1bbl 1
. 1 . 490 . 1 1 44 VAL H H -6.611 0.759 1.627 . . . 1.0 . . . . . . . . . . . . A . 44 VAL H . . . . . . . . . rr_1bbl 1
. 1 . 491 . 1 1 44 VAL HA H -8.786 -1.070 1.129 . . . 1.0 . . . . . . . . . . . . A . 44 VAL HA . . . . . . . . . rr_1bbl 1
. 1 . 492 . 1 1 44 VAL HB H -5.902 -1.204 0.209 . . . 1.0 . . . . . . . . . . . . A . 44 VAL HB . . . . . . . . . rr_1bbl 1
. 1 . 493 . 1 1 44 VAL HG11 H -8.443 -2.572 -0.737 . . . 1.0 . . . . . . . . . . . . A . 44 VAL HG11 . . . . . . . . . rr_1bbl 1
. 1 . 494 . 1 1 44 VAL HG12 H -6.943 -2.550 -1.661 . . . 1.0 . . . . . . . . . . . . A . 44 VAL HG12 . . . . . . . . . rr_1bbl 1
. 1 . 495 . 1 1 44 VAL HG13 H -7.000 -3.350 -0.092 . . . 1.0 . . . . . . . . . . . . A . 44 VAL HG13 . . . . . . . . . rr_1bbl 1
. 1 . 496 . 1 1 44 VAL HG21 H -8.394 0.069 -0.966 . . . 1.0 . . . . . . . . . . . . A . 44 VAL HG21 . . . . . . . . . rr_1bbl 1
. 1 . 497 . 1 1 44 VAL HG22 H -6.904 0.884 -0.500 . . . 1.0 . . . . . . . . . . . . A . 44 VAL HG22 . . . . . . . . . rr_1bbl 1
. 1 . 498 . 1 1 44 VAL HG23 H -6.917 -0.201 -1.887 . . . 1.0 . . . . . . . . . . . . A . 44 VAL HG23 . . . . . . . . . rr_1bbl 1
. 1 . 499 . 1 1 44 VAL N N -7.355 0.227 1.978 . . . 1.0 . . . . . . . . . . . . A . 44 VAL N . . . . . . . . . rr_1bbl 1
. 1 . 500 . 1 1 44 VAL O O -8.061 -3.248 2.257 . . . 1.0 . . . . . . . . . . . . A . 44 VAL O . . . . . . . . . rr_1bbl 1
. 1 . 501 . 1 1 45 GLU C C -7.088 -3.574 4.841 . . . 1.0 . . . . . . . . . . . . A . 45 GLU C . . . . . . . . . rr_1bbl 1
. 1 . 502 . 1 1 45 GLU CA C -5.920 -3.191 3.926 . . . 1.0 . . . . . . . . . . . . A . 45 GLU CA . . . . . . . . . rr_1bbl 1
. 1 . 503 . 1 1 45 GLU CB C -4.739 -2.722 4.773 . . . 1.0 . . . . . . . . . . . . A . 45 GLU CB . . . . . . . . . rr_1bbl 1
. 1 . 504 . 1 1 45 GLU CD C -3.287 -3.448 6.670 . . . 1.0 . . . . . . . . . . . . A . 45 GLU CD . . . . . . . . . rr_1bbl 1
. 1 . 505 . 1 1 45 GLU CG C -4.113 -3.930 5.474 . . . 1.0 . . . . . . . . . . . . A . 45 GLU CG . . . . . . . . . rr_1bbl 1
. 1 . 506 . 1 1 45 GLU H H -5.808 -1.259 2.967 . . . 1.0 . . . . . . . . . . . . A . 45 GLU H . . . . . . . . . rr_1bbl 1
. 1 . 507 . 1 1 45 GLU HA H -5.624 -4.049 3.346 . . . 1.0 . . . . . . . . . . . . A . 45 GLU HA . . . . . . . . . rr_1bbl 1
. 1 . 508 . 1 1 45 GLU HB2 H -4.003 -2.250 4.140 . . . 1.0 . . . . . . . . . . . . A . 45 GLU HB2 . . . . . . . . . rr_1bbl 1
. 1 . 509 . 1 1 45 GLU HB3 H -5.080 -2.012 5.511 . . . 1.0 . . . . . . . . . . . . A . 45 GLU HB3 . . . . . . . . . rr_1bbl 1
. 1 . 510 . 1 1 45 GLU HG2 H -4.889 -4.594 5.822 . . . 1.0 . . . . . . . . . . . . A . 45 GLU HG2 . . . . . . . . . rr_1bbl 1
. 1 . 511 . 1 1 45 GLU HG3 H -3.470 -4.460 4.787 . . . 1.0 . . . . . . . . . . . . A . 45 GLU HG3 . . . . . . . . . rr_1bbl 1
. 1 . 512 . 1 1 45 GLU N N -6.327 -2.089 3.004 . . . 1.0 . . . . . . . . . . . . A . 45 GLU N . . . . . . . . . rr_1bbl 1
. 1 . 513 . 1 1 45 GLU O O -7.493 -4.718 4.889 . . . 1.0 . . . . . . . . . . . . A . 45 GLU O . . . . . . . . . rr_1bbl 1
. 1 . 514 . 1 1 45 GLU OE1 O -2.913 -2.287 6.635 . . . 1.0 . . . . . . . . . . . . A . 45 GLU OE1 . . . . . . . . . rr_1bbl 1
. 1 . 515 . 1 1 45 GLU OE2 O -3.077 -4.267 7.549 . . . 1.0 . . . . . . . . . . . . A . 45 GLU OE2 . . . . . . . . . rr_1bbl 1
. 1 . 516 . 1 1 46 LYS C C -9.813 -3.722 5.742 . . . 1.0 . . . . . . . . . . . . A . 46 LYS C . . . . . . . . . rr_1bbl 1
. 1 . 517 . 1 1 46 LYS CA C -8.745 -2.898 6.467 . . . 1.0 . . . . . . . . . . . . A . 46 LYS CA . . . . . . . . . rr_1bbl 1
. 1 . 518 . 1 1 46 LYS CB C -9.353 -1.580 6.942 . . . 1.0 . . . . . . . . . . . . A . 46 LYS CB . . . . . . . . . rr_1bbl 1
. 1 . 519 . 1 1 46 LYS CD C -9.361 0.099 8.784 . . . 1.0 . . . . . . . . . . . . A . 46 LYS CD . . . . . . . . . rr_1bbl 1
. 1 . 520 . 1 1 46 LYS CE C -10.190 -0.045 10.062 . . . 1.0 . . . . . . . . . . . . A . 46 LYS CE . . . . . . . . . rr_1bbl 1
. 1 . 521 . 1 1 46 LYS CG C -8.855 -1.280 8.357 . . . 1.0 . . . . . . . . . . . . A . 46 LYS CG . . . . . . . . . rr_1bbl 1
. 1 . 522 . 1 1 46 LYS H H -7.246 -1.697 5.478 . . . 1.0 . . . . . . . . . . . . A . 46 LYS H . . . . . . . . . rr_1bbl 1
. 1 . 523 . 1 1 46 LYS HA H -8.385 -3.450 7.318 . . . 1.0 . . . . . . . . . . . . A . 46 LYS HA . . . . . . . . . rr_1bbl 1
. 1 . 524 . 1 1 46 LYS HB2 H -9.057 -0.783 6.277 . . . 1.0 . . . . . . . . . . . . A . 46 LYS HB2 . . . . . . . . . rr_1bbl 1
. 1 . 525 . 1 1 46 LYS HB3 H -10.429 -1.658 6.945 . . . 1.0 . . . . . . . . . . . . A . 46 LYS HB3 . . . . . . . . . rr_1bbl 1
. 1 . 526 . 1 1 46 LYS HD2 H -8.520 0.752 8.969 . . . 1.0 . . . . . . . . . . . . A . 46 LYS HD2 . . . . . . . . . rr_1bbl 1
. 1 . 527 . 1 1 46 LYS HD3 H -9.971 0.521 8.001 . . . 1.0 . . . . . . . . . . . . A . 46 LYS HD3 . . . . . . . . . rr_1bbl 1
. 1 . 528 . 1 1 46 LYS HE2 H -10.609 0.914 10.330 . . . 1.0 . . . . . . . . . . . . A . 46 LYS HE2 . . . . . . . . . rr_1bbl 1
. 1 . 529 . 1 1 46 LYS HE3 H -10.993 -0.747 9.896 . . . 1.0 . . . . . . . . . . . . A . 46 LYS HE3 . . . . . . . . . rr_1bbl 1
. 1 . 530 . 1 1 46 LYS HG2 H -9.225 -2.031 9.039 . . . 1.0 . . . . . . . . . . . . A . 46 LYS HG2 . . . . . . . . . rr_1bbl 1
. 1 . 531 . 1 1 46 LYS HG3 H -7.775 -1.291 8.371 . . . 1.0 . . . . . . . . . . . . A . 46 LYS HG3 . . . . . . . . . rr_1bbl 1
. 1 . 532 . 1 1 46 LYS HZ1 H -8.823 -1.384 10.881 . . . 1.0 . . . . . . . . . . . . A . 46 LYS HZ1 . . . . . . . . . rr_1bbl 1
. 1 . 533 . 1 1 46 LYS HZ2 H -8.661 0.207 11.453 . . . 1.0 . . . . . . . . . . . . A . 46 LYS HZ2 . . . . . . . . . rr_1bbl 1
. 1 . 534 . 1 1 46 LYS HZ3 H -9.941 -0.765 11.999 . . . 1.0 . . . . . . . . . . . . A . 46 LYS HZ3 . . . . . . . . . rr_1bbl 1
. 1 . 535 . 1 1 46 LYS N N -7.604 -2.606 5.549 . . . 1.0 . . . . . . . . . . . . A . 46 LYS N . . . . . . . . . rr_1bbl 1
. 1 . 536 . 1 1 46 LYS NZ N -9.339 -0.534 11.183 . . . 1.0 . . . . . . . . . . . . A . 46 LYS NZ . . . . . . . . . rr_1bbl 1
. 1 . 537 . 1 1 46 LYS O O -10.489 -4.533 6.343 . . . 1.0 . . . . . . . . . . . . A . 46 LYS O . . . . . . . . . rr_1bbl 1
. 1 . 538 . 1 1 47 HIS C C -10.502 -5.702 3.486 . . . 1.0 . . . . . . . . . . . . A . 47 HIS C . . . . . . . . . rr_1bbl 1
. 1 . 539 . 1 1 47 HIS CA C -10.964 -4.257 3.686 . . . 1.0 . . . . . . . . . . . . A . 47 HIS CA . . . . . . . . . rr_1bbl 1
. 1 . 540 . 1 1 47 HIS CB C -11.153 -3.592 2.325 . . . 1.0 . . . . . . . . . . . . A . 47 HIS CB . . . . . . . . . rr_1bbl 1
. 1 . 541 . 1 1 47 HIS CD2 C -12.793 -4.902 0.725 . . . 1.0 . . . . . . . . . . . . A . 47 HIS CD2 . . . . . . . . . rr_1bbl 1
. 1 . 542 . 1 1 47 HIS CE1 C -14.569 -4.090 1.458 . . . 1.0 . . . . . . . . . . . . A . 47 HIS CE1 . . . . . . . . . rr_1bbl 1
. 1 . 543 . 1 1 47 HIS CG C -12.505 -4.009 1.742 . . . 1.0 . . . . . . . . . . . . A . 47 HIS CG . . . . . . . . . rr_1bbl 1
. 1 . 544 . 1 1 47 HIS H H -9.376 -2.830 4.019 . . . 1.0 . . . . . . . . . . . . A . 47 HIS H . . . . . . . . . rr_1bbl 1
. 1 . 545 . 1 1 47 HIS HA H -11.899 -4.250 4.219 . . . 1.0 . . . . . . . . . . . . A . 47 HIS HA . . . . . . . . . rr_1bbl 1
. 1 . 546 . 1 1 47 HIS HB2 H -11.128 -2.518 2.435 . . . 1.0 . . . . . . . . . . . . A . 47 HIS HB2 . . . . . . . . . rr_1bbl 1
. 1 . 547 . 1 1 47 HIS HB3 H -10.365 -3.900 1.653 . . . 1.0 . . . . . . . . . . . . A . 47 HIS HB3 . . . . . . . . . rr_1bbl 1
. 1 . 548 . 1 1 47 HIS HD1 H -13.737 -2.915 2.839 . . . 1.0 . . . . . . . . . . . . A . 47 HIS HD1 . . . . . . . . . rr_1bbl 1
. 1 . 549 . 1 1 47 HIS HD2 H -12.063 -5.468 0.166 . . . 1.0 . . . . . . . . . . . . A . 47 HIS HD2 . . . . . . . . . rr_1bbl 1
. 1 . 550 . 1 1 47 HIS HE1 H -15.612 -3.857 1.617 . . . 1.0 . . . . . . . . . . . . A . 47 HIS HE1 . . . . . . . . . rr_1bbl 1
. 1 . 551 . 1 1 47 HIS N N -9.943 -3.494 4.463 . . . 1.0 . . . . . . . . . . . . A . 47 HIS N . . . . . . . . . rr_1bbl 1
. 1 . 552 . 1 1 47 HIS ND1 N -13.617 -3.571 2.122 . . . 1.0 . . . . . . . . . . . . A . 47 HIS ND1 . . . . . . . . . rr_1bbl 1
. 1 . 553 . 1 1 47 HIS NE2 N -14.136 -4.953 0.541 . . . 1.0 . . . . . . . . . . . . A . 47 HIS NE2 . . . . . . . . . rr_1bbl 1
. 1 . 554 . 1 1 47 HIS O O -11.292 -6.624 3.550 . . . 1.0 . . . . . . . . . . . . A . 47 HIS O . . . . . . . . . rr_1bbl 1
. 1 . 555 . 1 1 48 LEU C C -8.801 -8.058 4.337 . . . 1.0 . . . . . . . . . . . . A . 48 LEU C . . . . . . . . . rr_1bbl 1
. 1 . 556 . 1 1 48 LEU CA C -8.699 -7.248 3.041 . . . 1.0 . . . . . . . . . . . . A . 48 LEU CA . . . . . . . . . rr_1bbl 1
. 1 . 557 . 1 1 48 LEU CB C -7.237 -7.161 2.609 . . . 1.0 . . . . . . . . . . . . A . 48 LEU CB . . . . . . . . . rr_1bbl 1
. 1 . 558 . 1 1 48 LEU CD1 C -5.885 -6.290 0.703 . . . 1.0 . . . . . . . . . . . . A . 48 LEU CD1 . . . . . . . . . rr_1bbl 1
. 1 . 559 . 1 1 48 LEU CD2 C -7.171 -8.412 0.451 . . . 1.0 . . . . . . . . . . . . A . 48 LEU CD2 . . . . . . . . . rr_1bbl 1
. 1 . 560 . 1 1 48 LEU CG C -7.172 -7.020 1.086 . . . 1.0 . . . . . . . . . . . . A . 48 LEU CG . . . . . . . . . rr_1bbl 1
. 1 . 561 . 1 1 48 LEU H H -8.629 -5.097 3.207 . . . 1.0 . . . . . . . . . . . . A . 48 LEU H . . . . . . . . . rr_1bbl 1
. 1 . 562 . 1 1 48 LEU HA H -9.269 -7.737 2.270 . . . 1.0 . . . . . . . . . . . . A . 48 LEU HA . . . . . . . . . rr_1bbl 1
. 1 . 563 . 1 1 48 LEU HB2 H -6.771 -6.305 3.074 . . . 1.0 . . . . . . . . . . . . A . 48 LEU HB2 . . . . . . . . . rr_1bbl 1
. 1 . 564 . 1 1 48 LEU HB3 H -6.715 -8.056 2.912 . . . 1.0 . . . . . . . . . . . . A . 48 LEU HB3 . . . . . . . . . rr_1bbl 1
. 1 . 565 . 1 1 48 LEU HD11 H -5.033 -6.823 1.098 . . . 1.0 . . . . . . . . . . . . A . 48 LEU HD11 . . . . . . . . . rr_1bbl 1
. 1 . 566 . 1 1 48 LEU HD12 H -5.804 -6.236 -0.373 . . . 1.0 . . . . . . . . . . . . A . 48 LEU HD12 . . . . . . . . . rr_1bbl 1
. 1 . 567 . 1 1 48 LEU HD13 H -5.898 -5.290 1.110 . . . 1.0 . . . . . . . . . . . . A . 48 LEU HD13 . . . . . . . . . rr_1bbl 1
. 1 . 568 . 1 1 48 LEU HD21 H -7.795 -9.076 1.028 . . . 1.0 . . . . . . . . . . . . A . 48 LEU HD21 . . . . . . . . . rr_1bbl 1
. 1 . 569 . 1 1 48 LEU HD22 H -7.553 -8.352 -0.558 . . . 1.0 . . . . . . . . . . . . A . 48 LEU HD22 . . . . . . . . . rr_1bbl 1
. 1 . 570 . 1 1 48 LEU HD23 H -6.164 -8.800 0.426 . . . 1.0 . . . . . . . . . . . . A . 48 LEU HD23 . . . . . . . . . rr_1bbl 1
. 1 . 571 . 1 1 48 LEU HG H -8.027 -6.460 0.736 . . . 1.0 . . . . . . . . . . . . A . 48 LEU HG . . . . . . . . . rr_1bbl 1
. 1 . 572 . 1 1 48 LEU N N -9.230 -5.870 3.249 . . . 1.0 . . . . . . . . . . . . A . 48 LEU N . . . . . . . . . rr_1bbl 1
. 1 . 573 . 1 1 48 LEU O O -8.327 -9.174 4.413 . . . 1.0 . . . . . . . . . . . . A . 48 LEU O . . . . . . . . . rr_1bbl 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_1bbl
_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 1bbl.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_1bbl 1
1 1bbl.mr . . XPLOR/CNS 2 distance NOE simple 315 rr_1bbl 1
1 1bbl.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 rr_1bbl 1
1 1bbl.mr . . XPLOR/CNS 4 distance NOE simple 44 rr_1bbl 1
1 1bbl.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 rr_1bbl 1
1 1bbl.mr . . XPLOR/CNS 6 distance NOE simple 102 rr_1bbl 1
1 1bbl.mr . . n/a 7 comment "Not applicable" "Not applicable" 0 rr_1bbl 1
1 1bbl.mr . . XPLOR/CNS 8 distance NOE simple 169 rr_1bbl 1
1 1bbl.mr . . n/a 9 comment "Not applicable" "Not applicable" 0 rr_1bbl 1
1 1bbl.mr . . XPLOR/CNS 10 "dihedral angle" "Not applicable" "Not applicable" 101 rr_1bbl 1
1 1bbl.mr . . "MR format" 11 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1bbl 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_1bbl
_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: '1bbl'" . . . . distance "general distance" . 315 rr_1bbl 1
2 "From CCPN project: '1bbl'" . . . . distance "general distance" . 44 rr_1bbl 1
3 "From CCPN project: '1bbl'" . . . . distance "general distance" . 102 rr_1bbl 1
4 "From CCPN project: '1bbl'" . . . . distance "general distance" . 169 rr_1bbl 1
5 "From CCPN project: '1bbl'" . . . . "dihedral angle" "Not applicable" . 101 rr_1bbl 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 1bbl.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_1bbl 1
1 1bbl.mr . . XPLOR/CNS 2 distance NOE simple 315 rr_1bbl 1
1 1bbl.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 rr_1bbl 1
1 1bbl.mr . . XPLOR/CNS 4 distance NOE simple 44 rr_1bbl 1
1 1bbl.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 rr_1bbl 1
1 1bbl.mr . . XPLOR/CNS 6 distance NOE simple 102 rr_1bbl 1
1 1bbl.mr . . n/a 7 comment "Not applicable" "Not applicable" 0 rr_1bbl 1
1 1bbl.mr . . XPLOR/CNS 8 distance NOE simple 169 rr_1bbl 1
1 1bbl.mr . . n/a 9 comment "Not applicable" "Not applicable" 0 rr_1bbl 1
1 1bbl.mr . . XPLOR/CNS 10 "dihedral angle" "Not applicable" "Not applicable" 101 rr_1bbl 1
1 1bbl.mr . . "MR format" 11 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1bbl 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_1bbl
_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_1bbl 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 TYR HA H . . . 1 1 1 1 TYR HB3 H . . . . . 3.0 1.8 3.3 . . . . . . . . . . . . . . . . . . . . 1 . HA . . . . . 1 . HB1 . . rr_1bbl 1
2 1 . . 1 1 1 1 TYR HA H . . . 1 1 1 1 TYR HB2 H . . . . . 3.0 1.8 3.3 . . . . . . . . . . . . . . . . . . . . 1 . HA . . . . . 1 . HB2 . . rr_1bbl 1
3 1 . . 1 1 1 1 TYR HA H . . . 1 1 1 1 TYR QD H . . . . . 4.0 1.8 7.0 . . . . . . . . . . . . . . . . . . . . 1 . HA . . . . . 1 . HD# . . rr_1bbl 1
4 1 . . 1 1 1 1 TYR QD H . . . 1 1 1 1 TYR HB3 H . . . . . 3.0 1.8 5.3 . . . . . . . . . . . . . . . . . . . . 1 . HB1 . . . . . 1 . HD# . . rr_1bbl 1
5 1 . . 1 1 1 1 TYR QD H . . . 1 1 1 1 TYR HB2 H . . . . . 3.0 1.8 5.3 . . . . . . . . . . . . . . . . . . . . 1 . HB2 . . . . . 1 . HD# . . rr_1bbl 1
6 1 . . 1 1 2 2 ALA H H . . . 1 1 2 2 ALA HA H . . . . . 4.0 1.8 5.0 . . . . . . . . . . . . . . . . . . . . 2 . HN . . . . . 2 . HA . . rr_1bbl 1
7 1 . . 1 1 2 2 ALA H H . . . 1 1 2 2 ALA MB H . . . . . 3.0 1.8 4.8 . . . . . . . . . . . . . . . . . . . . 2 . HN . . . . . 2 . HB# . . rr_1bbl 1
8 1 . . 1 1 2 2 ALA HA H . . . 1 1 2 2 ALA MB H . . . . . 3.0 1.8 4.8 . . . . . . . . . . . . . . . . . . . . 2 . HA . . . . . 2 . HB# . . rr_1bbl 1
9 1 . . 1 1 3 3 SER H H . . . 1 1 3 3 SER HA H . . . . . 4.0 1.8 5.0 . . . . . . . . . . . . . . . . . . . . 3 . HN . . . . . 3 . HA . . rr_1bbl 1
10 1 OR . 1 1 3 3 SER H H . . . 1 1 3 3 SER HB2 H . . . . . 3.0 1.8 4.3 . . . . . . . . . . . . . . . . . . . . 3 . HN . . . . . 3 . HB# . . rr_1bbl 1
10 2 OR . 1 1 3 3 SER H H . . . 1 1 3 3 SER HB3 H . . . . . 3.0 1.8 4.3 . . . . . . . . . . . . . . . . . . . . 3 . HN . . . . . 3 . HB# . . rr_1bbl 1
11 1 . . 1 1 3 3 SER HA H . . . 1 1 3 3 SER HB3 H . . . . . 4.0 1.8 5.0 . . . . . . . . . . . . . . . . . . . . 3 . HA . . . . . 3 . HB1 . . rr_1bbl 1
12 1 . . 1 1 3 3 SER HA H . . . 1 1 3 3 SER HB2 H . . . . . 4.0 1.8 5.0 . . . . . . . . . . . . . . . . . . . . 3 . HA . . . . . 3 . HB2 . . rr_1bbl 1
13 1 . . 1 1 4 4 LEU H H . . . 1 1 4 4 LEU HA H . . . . . 4.0 1.8 5.0 . . . . . . . . . . . . . . . . . . . . 4 . HN . . . . . 4 . HA . . rr_1bbl 1
14 1 OR . 1 1 4 4 LEU H H . . . 1 1 4 4 LEU HB2 H . . . . . 3.0 1.8 4.3 . . . . . . . . . . . . . . . . . . . . 4 . HN . . . . . 4 . HB# . . rr_1bbl 1
14 2 OR . 1 1 4 4 LEU H H . . . 1 1 4 4 LEU HB3 H . . . . . 3.0 1.8 4.3 . . . . . . . . . . . . . . . . . . . . 4 . HN . . . . . 4 . HB# . . rr_1bbl 1
15 1 . . 1 1 4 4 LEU H H . . . 1 1 4 4 LEU MD1 H . . . . . 5.0 2.5 7.5 . . . . . . . . . . . . . . . . . . . . 4 . HN . . . . . 4 . HD1# . . rr_1bbl 1
16 1 . . 1 1 4 4 LEU H H . . . 1 1 4 4 LEU MD2 H . . . . . 5.0 2.5 7.5 . . . . . . . . . . . . . . . . . . . . 4 . HN . . . . . 4 . HD2# . . rr_1bbl 1
17 1 OR . 1 1 4 4 LEU HA H . . . 1 1 4 4 LEU HB2 H . . . . . 3.0 1.8 4.3 . . . . . . . . . . . . . . . . . . . . 4 . HA . . . . . 4 . HB# . . rr_1bbl 1
17 2 OR . 1 1 4 4 LEU HA H . . . 1 1 4 4 LEU HB3 H . . . . . 3.0 1.8 4.3 . . . . . . . . . . . . . . . . . . . . 4 . HA . . . . . 4 . HB# . . rr_1bbl 1
18 1 OR . 1 1 4 4 LEU HA H . . . 1 1 4 4 LEU MD2 H . . . . . 3.0 1.8 5.7 . . . . . . . . . . . . . . . . . . . . 4 . HA . . . . . 4 . HD* . . rr_1bbl 1
18 2 OR . 1 1 4 4 LEU HA H . . . 1 1 4 4 LEU MD1 H . . . . . 3.0 1.8 5.7 . . . . . . . . . . . . . . . . . . . . 4 . HA . . . . . 4 . HD* . . rr_1bbl 1
19 1 OR . 1 1 4 4 LEU HB3 H . . . 1 1 4 4 LEU MD1 H . . . . . 3.0 1.8 5.8 . . . . . . . . . . . . . . . . . . . . 4 . HB# . . . . . 4 . HD1# . . rr_1bbl 1
19 2 OR . 1 1 4 4 LEU MD1 H . . . 1 1 4 4 LEU HB2 H . . . . . 3.0 1.8 5.8 . . . . . . . . . . . . . . . . . . . . 4 . HB# . . . . . 4 . HD1# . . rr_1bbl 1
20 1 OR . 1 1 4 4 LEU HB3 H . . . 1 1 4 4 LEU MD2 H . . . . . 3.0 1.8 5.8 . . . . . . . . . . . . . . . . . . . . 4 . HB# . . . . . 4 . HD2# . . rr_1bbl 1
20 2 OR . 1 1 4 4 LEU HB2 H . . . 1 1 4 4 LEU MD2 H . . . . . 3.0 1.8 5.8 . . . . . . . . . . . . . . . . . . . . 4 . HB# . . . . . 4 . HD2# . . rr_1bbl 1
21 1 . . 1 1 5 5 GLU H H . . . 1 1 5 5 GLU HA H . . . . . 4.0 1.8 5.0 . . . . . . . . . . . . . . . . . . . . 5 . HN . . . . . 5 . HA . . rr_1bbl 1
22 1 OR . 1 1 5 5 GLU H H . . . 1 1 5 5 GLU HB2 H . . . . . 3.0 1.8 4.3 . . . . . . . . . . . . . . . . . . . . 5 . HN . . . . . 5 . HB# . . rr_1bbl 1
22 2 OR . 1 1 5 5 GLU H H . . . 1 1 5 5 GLU HB3 H . . . . . 3.0 1.8 4.3 . . . . . . . . . . . . . . . . . . . . 5 . HN . . . . . 5 . HB# . . rr_1bbl 1
23 1 OR . 1 1 5 5 GLU H H . . . 1 1 5 5 GLU HG2 H . . . . . 4.0 1.8 6.0 . . . . . . . . . . . . . . . . . . . . 5 . HN . . . . . 5 . HG# . . rr_1bbl 1
23 2 OR . 1 1 5 5 GLU H H . . . 1 1 5 5 GLU HG3 H . . . . . 4.0 1.8 6.0 . . . . . . . . . . . . . . . . . . . . 5 . HN . . . . . 5 . HG# . . rr_1bbl 1
24 1 OR . 1 1 5 5 GLU HA H . . . 1 1 5 5 GLU HB2 H . . . . . 3.0 1.8 4.3 . . . . . . . . . . . . . . . . . . . . 5 . HA . . . . . 5 . HB# . . rr_1bbl 1
24 2 OR . 1 1 5 5 GLU HA H . . . 1 1 5 5 GLU HB3 H . . . . . 3.0 1.8 4.3 . . . . . . . . . . . . . . . . . . . . 5 . HA . . . . . 5 . HB# . . rr_1bbl 1
25 1 OR . 1 1 5 5 GLU HA H . . . 1 1 5 5 GLU HG2 H . . . . . 3.0 1.8 4.3 . . . . . . . . . . . . . . . . . . . . 5 . HA . . . . . 5 . HG# . . rr_1bbl 1
25 2 OR . 1 1 5 5 GLU HA H . . . 1 1 5 5 GLU HG3 H . . . . . 3.0 1.8 4.3 . . . . . . . . . . . . . . . . . . . . 5 . HA . . . . . 5 . HG# . . rr_1bbl 1
26 1 . . 1 1 6 6 GLU H H . . . 1 1 6 6 GLU HA H . . . . . 3.0 1.8 3.3 . . . . . . . . . . . . . . . . . . . . 6 . HN . . . . . 6 . HA . . rr_1bbl 1
27 1 OR . 1 1 6 6 GLU H H . . . 1 1 6 6 GLU HB2 H . . . . . 3.0 1.8 4.3 . . . . . . . . . . . . . . . . . . . . 6 . HN . . . . . 6 . HB# . . rr_1bbl 1
27 2 OR . 1 1 6 6 GLU H H . . . 1 1 6 6 GLU HB3 H . . . . . 3.0 1.8 4.3 . . . . . . . . . . . . . . . . . . . . 6 . HN . . . . . 6 . HB# . . rr_1bbl 1
28 1 OR . 1 1 6 6 GLU H H . . . 1 1 6 6 GLU HG2 H . . . . . 4.0 1.8 6.0 . . . . . . . . . . . . . . . . . . . . 6 . HN . . . . . 6 . HG# . . rr_1bbl 1
28 2 OR . 1 1 6 6 GLU H H . . . 1 1 6 6 GLU HG3 H . . . . . 4.0 1.8 6.0 . . . . . . . . . . . . . . . . . . . . 6 . HN . . . . . 6 . HG# . . rr_1bbl 1
29 1 OR . 1 1 6 6 GLU HA H . . . 1 1 6 6 GLU HB2 H . . . . . 3.0 1.8 4.3 . . . . . . . . . . . . . . . . . . . . 6 . HA . . . . . 6 . HB# . . rr_1bbl 1
29 2 OR . 1 1 6 6 GLU HA H . . . 1 1 6 6 GLU HB3 H . . . . . 3.0 1.8 4.3 . . . . . . . . . . . . . . . . . . . . 6 . HA . . . . . 6 . HB# . . rr_1bbl 1
30 1 OR . 1 1 6 6 GLU HA H . . . 1 1 6 6 GLU HG2 H . . . . . 3.0 1.8 4.3 . . . . . . . . . . . . . . . . . . . . 6 . HA . . . . . 6 . HG# . . rr_1bbl 1
30 2 OR . 1 1 6 6 GLU HA H . . . 1 1 6 6 GLU HG3 H . . . . . 3.0 1.8 4.3 . . . . . . . . . . . . . . . . . . . . 6 . HA . . . . . 6 . HG# . . rr_1bbl 1
31 1 . . 1 1 7 7 GLN H H . . . 1 1 7 7 GLN HA H . . . . . 4.0 1.8 5.0 . . . . . . . . . . . . . . . . . . . . 7 . HN . . . . . 7 . HA . . rr_1bbl 1
32 1 OR . 1 1 7 7 GLN H H . . . 1 1 7 7 GLN HB3 H . . . . . 3.0 1.8 4.3 . . . . . . . . . . . . . . . . . . . . 7 . HN . . . . . 7 . HB# . . rr_1bbl 1
32 2 OR . 1 1 7 7 GLN H H . . . 1 1 7 7 GLN HB2 H . . . . . 3.0 1.8 4.3 . . . . . . . . . . . . . . . . . . . . 7 . HN . . . . . 7 . HB# . . rr_1bbl 1
33 1 OR . 1 1 7 7 GLN H H . . . 1 1 7 7 GLN HG2 H . . . . . 4.0 1.8 6.0 . . . . . . . . . . . . . . . . . . . . 7 . HN . . . . . 7 . HG# . . rr_1bbl 1
33 2 OR . 1 1 7 7 GLN H H . . . 1 1 7 7 GLN HG3 H . . . . . 4.0 1.8 6.0 . . . . . . . . . . . . . . . . . . . . 7 . HN . . . . . 7 . HG# . . rr_1bbl 1
34 1 . . 1 1 7 7 GLN HA H . . . 1 1 7 7 GLN HB3 H . . . . . 3.0 1.8 3.3 . . . . . . . . . . . . . . . . . . . . 7 . HA . . . . . 7 . HB1 . . rr_1bbl 1
35 1 . . 1 1 7 7 GLN HA H . . . 1 1 7 7 GLN HB2 H . . . . . 3.0 1.8 3.3 . . . . . . . . . . . . . . . . . . . . 7 . HA . . . . . 7 . HB2 . . rr_1bbl 1
36 1 OR . 1 1 7 7 GLN HA H . . . 1 1 7 7 GLN HG2 H . . . . . 4.0 1.8 6.0 . . . . . . . . . . . . . . . . . . . . 7 . HA . . . . . 7 . HG# . . rr_1bbl 1
36 2 OR . 1 1 7 7 GLN HA H . . . 1 1 7 7 GLN HG3 H . . . . . 4.0 1.8 6.0 . . . . . . . . . . . . . . . . . . . . 7 . HA . . . . . 7 . HG# . . rr_1bbl 1
37 1 OR . 1 1 7 7 GLN HE21 H . . . 1 1 7 7 GLN HG2 H . . . . . 4.0 1.8 5.0 . . . . . . . . . . . . . . . . . . . . 7 . HG# . . . . . 7 . HE21 . . rr_1bbl 1
37 2 OR . 1 1 7 7 GLN HG3 H . . . 1 1 7 7 GLN HE21 H . . . . . 4.0 1.8 5.0 . . . . . . . . . . . . . . . . . . . . 7 . HG# . . . . . 7 . HE21 . . rr_1bbl 1
38 1 . . 1 1 8 8 ASN H H . . . 1 1 8 8 ASN HA H . . . . . 4.0 1.8 5.0 . . . . . . . . . . . . . . . . . . . . 8 . HN . . . . . 8 . HA . . rr_1bbl 1
39 1 OR . 1 1 8 8 ASN H H . . . 1 1 8 8 ASN HB3 H . . . . . 3.0 1.8 4.3 . . . . . . . . . . . . . . . . . . . . 8 . HN . . . . . 8 . HB# . . rr_1bbl 1
39 2 OR . 1 1 8 8 ASN H H . . . 1 1 8 8 ASN HB2 H . . . . . 3.0 1.8 4.3 . . . . . . . . . . . . . . . . . . . . 8 . HN . . . . . 8 . HB# . . rr_1bbl 1
40 1 OR . 1 1 8 8 ASN H H . . . 1 1 8 8 ASN HD21 H . . . . . 4.0 1.8 6.0 . . . . . . . . . . . . . . . . . . . . 8 . HN . . . . . 8 . HD2# . . rr_1bbl 1
40 2 OR . 1 1 8 8 ASN H H . . . 1 1 8 8 ASN HD22 H . . . . . 4.0 1.8 6.0 . . . . . . . . . . . . . . . . . . . . 8 . HN . . . . . 8 . HD2# . . rr_1bbl 1
41 1 . . 1 1 8 8 ASN HA H . . . 1 1 8 8 ASN HB3 H . . . . . 3.0 1.8 3.3 . . . . . . . . . . . . . . . . . . . . 8 . HA . . . . . 8 . HB1 . . rr_1bbl 1
42 1 . . 1 1 8 8 ASN HA H . . . 1 1 8 8 ASN HB2 H . . . . . 3.0 1.8 3.3 . . . . . . . . . . . . . . . . . . . . 8 . HA . . . . . 8 . HB2 . . rr_1bbl 1
43 1 . . 1 1 8 8 ASN HD21 H . . . 1 1 8 8 ASN HB3 H . . . . . 4.0 1.8 5.0 . . . . . . . . . . . . . . . . . . . . 8 . HB1 . . . . . 8 . HD21 . . rr_1bbl 1
44 1 . . 1 1 8 8 ASN HB2 H . . . 1 1 8 8 ASN HD21 H . . . . . 4.0 1.8 5.0 . . . . . . . . . . . . . . . . . . . . 8 . HB2 . . . . . 8 . HD21 . . rr_1bbl 1
45 1 . . 1 1 9 9 ASN H H . . . 1 1 9 9 ASN HA H . . . . . 3.0 1.8 3.3 . . . . . . . . . . . . . . . . . . . . 9 . HN . . . . . 9 . HA . . rr_1bbl 1
46 1 OR . 1 1 9 9 ASN H H . . . 1 1 9 9 ASN HB3 H . . . . . 3.0 1.8 4.3 . . . . . . . . . . . . . . . . . . . . 9 . HN . . . . . 9 . HB# . . rr_1bbl 1
46 2 OR . 1 1 9 9 ASN H H . . . 1 1 9 9 ASN HB2 H . . . . . 3.0 1.8 4.3 . . . . . . . . . . . . . . . . . . . . 9 . HN . . . . . 9 . HB# . . rr_1bbl 1
47 1 OR . 1 1 9 9 ASN H H . . . 1 1 9 9 ASN HD21 H . . . . . 4.0 1.8 6.0 . . . . . . . . . . . . . . . . . . . . 9 . HN . . . . . 9 . HD2# . . rr_1bbl 1
47 2 OR . 1 1 9 9 ASN H H . . . 1 1 9 9 ASN HD22 H . . . . . 4.0 1.8 6.0 . . . . . . . . . . . . . . . . . . . . 9 . HN . . . . . 9 . HD2# . . rr_1bbl 1
48 1 . . 1 1 9 9 ASN HA H . . . 1 1 9 9 ASN HB3 H . . . . . 3.0 1.8 3.3 . . . . . . . . . . . . . . . . . . . . 9 . HA . . . . . 9 . HB1 . . rr_1bbl 1
49 1 . . 1 1 9 9 ASN HA H . . . 1 1 9 9 ASN HB2 H . . . . . 3.0 1.8 3.3 . . . . . . . . . . . . . . . . . . . . 9 . HA . . . . . 9 . HB2 . . rr_1bbl 1
50 1 . . 1 1 9 9 ASN HD21 H . . . 1 1 9 9 ASN HB3 H . . . . . 4.0 1.8 5.0 . . . . . . . . . . . . . . . . . . . . 9 . HB1 . . . . . 9 . HD21 . . rr_1bbl 1
51 1 . . 1 1 9 9 ASN HB2 H . . . 1 1 9 9 ASN HD21 H . . . . . 4.0 1.8 5.0 . . . . . . . . . . . . . . . . . . . . 9 . HB2 . . . . . 9 . HD21 . . rr_1bbl 1
52 1 . . 1 1 10 10 ASP H H . . . 1 1 10 10 ASP HA H . . . . . 3.0 1.8 3.3 . . . . . . . . . . . . . . . . . . . . 10 . HN . . . . . 10 . HA . . rr_1bbl 1
53 1 OR . 1 1 10 10 ASP H H . . . 1 1 10 10 ASP HB2 H . . . . . 3.0 1.8 4.3 . . . . . . . . . . . . . . . . . . . . 10 . HN . . . . . 10 . HB# . . rr_1bbl 1
53 2 OR . 1 1 10 10 ASP H H . . . 1 1 10 10 ASP HB3 H . . . . . 3.0 1.8 4.3 . . . . . . . . . . . . . . . . . . . . 10 . HN . . . . . 10 . HB# . . rr_1bbl 1
54 1 OR . 1 1 10 10 ASP HA H . . . 1 1 10 10 ASP HB2 H . . . . . 3.0 1.8 4.3 . . . . . . . . . . . . . . . . . . . . 10 . HA . . . . . 10 . HB# . . rr_1bbl 1
54 2 OR . 1 1 10 10 ASP HA H . . . 1 1 10 10 ASP HB3 H . . . . . 3.0 1.8 4.3 . . . . . . . . . . . . . . . . . . . . 10 . HA . . . . . 10 . HB# . . rr_1bbl 1
55 1 . . 1 1 11 11 ALA H H . . . 1 1 11 11 ALA HA H . . . . . 3.0 1.8 3.3 . . . . . . . . . . . . . . . . . . . . 11 . HN . . . . . 11 . HA . . rr_1bbl 1
56 1 . . 1 1 11 11 ALA H H . . . 1 1 11 11 ALA MB H . . . . . 3.0 1.8 4.8 . . . . . . . . . . . . . . . . . . . . 11 . HN . . . . . 11 . HB# . . rr_1bbl 1
57 1 . . 1 1 11 11 ALA HA H . . . 1 1 11 11 ALA MB H . . . . . 3.0 1.8 4.8 . . . . . . . . . . . . . . . . . . . . 11 . HA . . . . . 11 . HB# . . rr_1bbl 1
58 1 . . 1 1 12 12 LEU H H . . . 1 1 12 12 LEU HA H . . . . . 4.0 1.8 5.0 . . . . . A . 12 LEU H . . A . 12 LEU HA . . . 12 . HN . . . . . 12 . HA . . rr_1bbl 1
59 1 . . 1 1 12 12 LEU H H . . . 1 1 12 12 LEU HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 12 LEU H . . A . 12 LEU HB3 . . . 12 . HN . . . . . 12 . HB1 . . rr_1bbl 1
60 1 . . 1 1 12 12 LEU H H . . . 1 1 12 12 LEU HB2 H . . . . . 3.0 1.8 3.3 . . . . . A . 12 LEU H . . A . 12 LEU HB2 . . . 12 . HN . . . . . 12 . HB2 . . rr_1bbl 1
61 1 . . 1 1 12 12 LEU H H . . . 1 1 12 12 LEU HG H . . . . . 4.0 1.8 5.0 . . . . . A . 12 LEU H . . A . 12 LEU HG . . . 12 . HN . . . . . 12 . HG . . rr_1bbl 1
62 1 OR . 1 1 12 12 LEU H H . . . 1 1 12 12 LEU MD1 H . . . . . 4.0 1.8 7.4 . . . . . A . 12 LEU H . . A . 12 LEU MD1 . . . 12 . HN . . . . . 12 . HD* . . rr_1bbl 1
62 2 OR . 1 1 12 12 LEU H H . . . 1 1 12 12 LEU MD2 H . . . . . 4.0 1.8 7.4 . . . . . A . 12 LEU H . . A . 12 LEU MD2 . . . 12 . HN . . . . . 12 . HD* . . rr_1bbl 1
63 1 . . 1 1 12 12 LEU HA H . . . 1 1 12 12 LEU HB3 H . . . . . 3.0 1.8 3.3 . . . . . A . 12 LEU HA . . A . 12 LEU HB3 . . . 12 . HA . . . . . 12 . HB1 . . rr_1bbl 1
64 1 . . 1 1 12 12 LEU HA H . . . 1 1 12 12 LEU HB2 H . . . . . 3.0 1.8 3.3 . . . . . A . 12 LEU HA . . A . 12 LEU HB2 . . . 12 . HA . . . . . 12 . HB2 . . rr_1bbl 1
65 1 . . 1 1 12 12 LEU HA H . . . 1 1 12 12 LEU HG H . . . . . 4.0 1.8 5.0 . . . . . A . 12 LEU HA . . A . 12 LEU HG . . . 12 . HA . . . . . 12 . HG . . rr_1bbl 1
66 1 OR . 1 1 12 12 LEU HA H . . . 1 1 12 12 LEU MD1 H . . . . . 3.0 1.8 5.7 . . . . . A . 12 LEU HA . . A . 12 LEU MD1 . . . 12 . HA . . . . . 12 . HD* . . rr_1bbl 1
66 2 OR . 1 1 12 12 LEU HA H . . . 1 1 12 12 LEU MD2 H . . . . . 3.0 1.8 5.7 . . . . . A . 12 LEU HA . . A . 12 LEU MD2 . . . 12 . HA . . . . . 12 . HD* . . rr_1bbl 1
67 1 . . 1 1 13 13 SER H H . . . 1 1 13 13 SER HA H . . . . . 4.0 1.8 5.0 . . . . . A . 13 SER H . . A . 13 SER HA . . . 13 . HN . . . . . 13 . HA . . rr_1bbl 1
68 1 OR . 1 1 13 13 SER H H . . . 1 1 13 13 SER HB2 H . . . . . 3.0 1.8 4.3 . . . . . A . 13 SER H . . A . 13 SER HB2 . . . 13 . HN . . . . . 13 . HB# . . rr_1bbl 1
68 2 OR . 1 1 13 13 SER H H . . . 1 1 13 13 SER HB3 H . . . . . 3.0 1.8 4.3 . . . . . A . 13 SER H . . A . 13 SER HB3 . . . 13 . HN . . . . . 13 . HB# . . rr_1bbl 1
69 1 . . 1 1 13 13 SER HA H . . . 1 1 13 13 SER HB3 H . . . . . 3.0 1.8 3.3 . . . . . A . 13 SER HA . . A . 13 SER HB3 . . . 13 . HA . . . . . 13 . HB1 . . rr_1bbl 1
70 1 . . 1 1 13 13 SER HA H . . . 1 1 13 13 SER HB2 H . . . . . 3.0 1.8 3.3 . . . . . A . 13 SER HA . . A . 13 SER HB2 . . . 13 . HA . . . . . 13 . HB2 . . rr_1bbl 1
71 1 . . 1 1 14 14 PRO HA H . . . 1 1 14 14 PRO HB3 H . . . . . 3.0 1.8 3.3 . . . . . A . 14 PRO HA . . A . 14 PRO HB3 . . . 14 . HA . . . . . 14 . HB1 . . rr_1bbl 1
72 1 OR . 1 1 14 14 PRO HA H . . . 1 1 14 14 PRO HG2 H . . . . . 4.0 1.8 6.0 . . . . . A . 14 PRO HA . . A . 14 PRO HG2 . . . 14 . HA . . . . . 14 . HG# . . rr_1bbl 1
72 2 OR . 1 1 14 14 PRO HA H . . . 1 1 14 14 PRO HG3 H . . . . . 4.0 1.8 6.0 . . . . . A . 14 PRO HA . . A . 14 PRO HG3 . . . 14 . HA . . . . . 14 . HG# . . rr_1bbl 1
73 1 OR . 1 1 14 14 PRO HB3 H . . . 1 1 14 14 PRO HD3 H . . . . . 4.0 1.8 6.0 . . . . . A . 14 PRO HB3 . . A . 14 PRO HD3 . . . 14 . HB1 . . . . . 14 . HD# . . rr_1bbl 1
73 2 OR . 1 1 14 14 PRO HB3 H . . . 1 1 14 14 PRO HD2 H . . . . . 4.0 1.8 6.0 . . . . . A . 14 PRO HB3 . . A . 14 PRO HD2 . . . 14 . HB1 . . . . . 14 . HD# . . rr_1bbl 1
74 1 . . 1 1 15 15 ALA H H . . . 1 1 15 15 ALA HA H . . . . . 3.0 1.8 3.3 . . . . . A . 15 ALA H . . A . 15 ALA HA . . . 15 . HN . . . . . 15 . HA . . rr_1bbl 1
75 1 . . 1 1 15 15 ALA H H . . . 1 1 15 15 ALA MB H . . . . . 3.0 1.8 4.8 . . . . . A . 15 ALA H . . A . 15 ALA MB . . . 15 . HN . . . . . 15 . HB# . . rr_1bbl 1
76 1 . . 1 1 15 15 ALA HA H . . . 1 1 15 15 ALA MB H . . . . . 3.0 1.8 4.8 . . . . . A . 15 ALA HA . . A . 15 ALA MB . . . 15 . HA . . . . . 15 . HB# . . rr_1bbl 1
77 1 . . 1 1 16 16 ILE H H . . . 1 1 16 16 ILE HA H . . . . . 4.0 1.8 5.0 . . . . . A . 16 ILE H . . A . 16 ILE HA . . . 16 . HN . . . . . 16 . HA . . rr_1bbl 1
78 1 . . 1 1 16 16 ILE H H . . . 1 1 16 16 ILE HB H . . . . . 2.5 1.8 2.8 . . . . . A . 16 ILE H . . A . 16 ILE HB . . . 16 . HN . . . . . 16 . HB . . rr_1bbl 1
79 1 . . 1 1 16 16 ILE H H . . . 1 1 16 16 ILE HG13 H . . . . . 4.0 1.8 5.0 . . . . . A . 16 ILE H . . A . 16 ILE HG13 . . . 16 . HN . . . . . 16 . HG11 . . rr_1bbl 1
80 1 . . 1 1 16 16 ILE H H . . . 1 1 16 16 ILE HG12 H . . . . . 4.0 1.8 5.0 . . . . . A . 16 ILE H . . A . 16 ILE HG12 . . . 16 . HN . . . . . 16 . HG12 . . rr_1bbl 1
81 1 . . 1 1 16 16 ILE H H . . . 1 1 16 16 ILE MG H . . . . . 4.0 1.8 6.5 . . . . . A . 16 ILE H . . A . 16 ILE MG . . . 16 . HN . . . . . 16 . HG2# . . rr_1bbl 1
82 1 . . 1 1 16 16 ILE H H . . . 1 1 16 16 ILE MD H . . . . . 4.0 1.8 6.5 . . . . . A . 16 ILE H . . A . 16 ILE MD . . . 16 . HN . . . . . 16 . HD# . . rr_1bbl 1
83 1 . . 1 1 16 16 ILE HA H . . . 1 1 16 16 ILE HB H . . . . . 3.0 1.8 3.3 . . . . . A . 16 ILE HA . . A . 16 ILE HB . . . 16 . HA . . . . . 16 . HB . . rr_1bbl 1
84 1 . . 1 1 16 16 ILE HA H . . . 1 1 16 16 ILE HG13 H . . . . . 3.0 1.8 3.3 . . . . . A . 16 ILE HA . . A . 16 ILE HG13 . . . 16 . HA . . . . . 16 . HG11 . . rr_1bbl 1
85 1 . . 1 1 16 16 ILE HA H . . . 1 1 16 16 ILE HG12 H . . . . . 4.0 1.8 5.0 . . . . . A . 16 ILE HA . . A . 16 ILE HG12 . . . 16 . HA . . . . . 16 . HG12 . . rr_1bbl 1
86 1 . . 1 1 16 16 ILE HA H . . . 1 1 16 16 ILE MG H . . . . . 3.0 1.8 4.8 . . . . . A . 16 ILE HA . . A . 16 ILE MG . . . 16 . HA . . . . . 16 . HG2# . . rr_1bbl 1
87 1 . . 1 1 16 16 ILE HA H . . . 1 1 16 16 ILE MD H . . . . . 3.0 1.8 4.8 . . . . . A . 16 ILE HA . . A . 16 ILE MD . . . 16 . HA . . . . . 16 . HD# . . rr_1bbl 1
88 1 . . 1 1 16 16 ILE HB H . . . 1 1 16 16 ILE MD H . . . . . 3.0 1.8 4.8 . . . . . A . 16 ILE HB . . A . 16 ILE MD . . . 16 . HB . . . . . 16 . HD# . . rr_1bbl 1
89 1 . . 1 1 17 17 ARG H H . . . 1 1 17 17 ARG HA H . . . . . 4.0 1.8 6.0 . . . . . A . 17 ARG H . . A . 17 ARG HA . . . 17 . HN . . . . . 17 . HA . . rr_1bbl 1
90 1 . . 1 1 17 17 ARG H H . . . 1 1 17 17 ARG HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 17 ARG H . . A . 17 ARG HB3 . . . 17 . HN . . . . . 17 . HB1 . . rr_1bbl 1
91 1 . . 1 1 17 17 ARG H H . . . 1 1 17 17 ARG HB2 H . . . . . 3.0 1.8 3.3 . . . . . A . 17 ARG H . . A . 17 ARG HB2 . . . 17 . HN . . . . . 17 . HB2 . . rr_1bbl 1
92 1 OR . 1 1 17 17 ARG H H . . . 1 1 17 17 ARG HG2 H . . . . . 4.0 1.8 6.0 . . . . . A . 17 ARG H . . A . 17 ARG HG2 . . . 17 . HN . . . . . 17 . HG# . . rr_1bbl 1
92 2 OR . 1 1 17 17 ARG H H . . . 1 1 17 17 ARG HG3 H . . . . . 4.0 1.8 6.0 . . . . . A . 17 ARG H . . A . 17 ARG HG3 . . . 17 . HN . . . . . 17 . HG# . . rr_1bbl 1
93 1 . . 1 1 17 17 ARG HA H . . . 1 1 17 17 ARG HB3 H . . . . . 3.0 1.8 3.3 . . . . . A . 17 ARG HA . . A . 17 ARG HB3 . . . 17 . HA . . . . . 17 . HB1 . . rr_1bbl 1
94 1 . . 1 1 17 17 ARG HA H . . . 1 1 17 17 ARG HB2 H . . . . . 3.0 1.8 3.3 . . . . . A . 17 ARG HA . . A . 17 ARG HB2 . . . 17 . HA . . . . . 17 . HB2 . . rr_1bbl 1
95 1 OR . 1 1 17 17 ARG HA H . . . 1 1 17 17 ARG HG2 H . . . . . 3.0 1.8 4.3 . . . . . A . 17 ARG HA . . A . 17 ARG HG2 . . . 17 . HA . . . . . 17 . HG# . . rr_1bbl 1
95 2 OR . 1 1 17 17 ARG HA H . . . 1 1 17 17 ARG HG3 H . . . . . 3.0 1.8 4.3 . . . . . A . 17 ARG HA . . A . 17 ARG HG3 . . . 17 . HA . . . . . 17 . HG# . . rr_1bbl 1
96 1 . . 1 1 17 17 ARG HA H . . . 1 1 17 17 ARG HD3 H . . . . . 5.0 2.5 6.0 . . . . . A . 17 ARG HA . . A . 17 ARG HD3 . . . 17 . HA . . . . . 17 . HD1 . . rr_1bbl 1
97 1 . . 1 1 17 17 ARG HA H . . . 1 1 17 17 ARG HD2 H . . . . . 5.0 2.5 6.0 . . . . . A . 17 ARG HA . . A . 17 ARG HD2 . . . 17 . HA . . . . . 17 . HD2 . . rr_1bbl 1
98 1 . . 1 1 17 17 ARG HB3 H . . . 1 1 17 17 ARG HD3 H . . . . . 4.0 1.8 5.0 . . . . . A . 17 ARG HB3 . . A . 17 ARG HD3 . . . 17 . HB1 . . . . . 17 . HD1 . . rr_1bbl 1
99 1 . . 1 1 17 17 ARG HB2 H . . . 1 1 17 17 ARG HD3 H . . . . . 4.0 1.8 5.0 . . . . . A . 17 ARG HB2 . . A . 17 ARG HD3 . . . 17 . HB2 . . . . . 17 . HD1 . . rr_1bbl 1
100 1 . . 1 1 17 17 ARG HB3 H . . . 1 1 17 17 ARG HD2 H . . . . . 4.0 1.8 5.0 . . . . . A . 17 ARG HB3 . . A . 17 ARG HD2 . . . 17 . HB1 . . . . . 17 . HD2 . . rr_1bbl 1
101 1 . . 1 1 17 17 ARG HB2 H . . . 1 1 17 17 ARG HD2 H . . . . . 4.0 1.8 5.0 . . . . . A . 17 ARG HB2 . . A . 17 ARG HD2 . . . 17 . HB2 . . . . . 17 . HD2 . . rr_1bbl 1
102 1 . . 1 1 17 17 ARG HB2 H . . . 1 1 17 17 ARG HE H . . . . . 4.0 1.8 5.0 . . . . . A . 17 ARG HB2 . . A . 17 ARG HE . . . 17 . HB2 . . . . . 17 . HE . . rr_1bbl 1
103 1 OR . 1 1 17 17 ARG HE H . . . 1 1 17 17 ARG HG2 H . . . . . 5.0 2.5 7.0 . . . . . A . 17 ARG HG2 . . A . 17 ARG HE . . . 17 . HG# . . . . . 17 . HE . . rr_1bbl 1
103 2 OR . 1 1 17 17 ARG HG3 H . . . 1 1 17 17 ARG HE H . . . . . 5.0 2.5 7.0 . . . . . A . 17 ARG HG3 . . A . 17 ARG HE . . . 17 . HG# . . . . . 17 . HE . . rr_1bbl 1
104 1 . . 1 1 18 18 ARG H H . . . 1 1 18 18 ARG HA H . . . . . 3.0 1.8 3.3 . . . . . A . 18 ARG H . . A . 18 ARG HA . . . 18 . HN . . . . . 18 . HA . . rr_1bbl 1
105 1 . . 1 1 18 18 ARG H H . . . 1 1 18 18 ARG HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 18 ARG H . . A . 18 ARG HB3 . . . 18 . HN . . . . . 18 . HB1 . . rr_1bbl 1
106 1 . . 1 1 18 18 ARG H H . . . 1 1 18 18 ARG HB2 H . . . . . 3.0 1.8 3.3 . . . . . A . 18 ARG H . . A . 18 ARG HB2 . . . 18 . HN . . . . . 18 . HB2 . . rr_1bbl 1
107 1 OR . 1 1 18 18 ARG H H . . . 1 1 18 18 ARG HG2 H . . . . . 4.0 1.8 6.0 . . . . . A . 18 ARG H . . A . 18 ARG HG2 . . . 18 . HN . . . . . 18 . HG# . . rr_1bbl 1
107 2 OR . 1 1 18 18 ARG H H . . . 1 1 18 18 ARG HG3 H . . . . . 4.0 1.8 6.0 . . . . . A . 18 ARG H . . A . 18 ARG HG3 . . . 18 . HN . . . . . 18 . HG# . . rr_1bbl 1
108 1 . . 1 1 18 18 ARG HA H . . . 1 1 18 18 ARG HB3 H . . . . . 3.0 1.8 3.3 . . . . . A . 18 ARG HA . . A . 18 ARG HB3 . . . 18 . HA . . . . . 18 . HB1 . . rr_1bbl 1
109 1 . . 1 1 18 18 ARG HA H . . . 1 1 18 18 ARG HB2 H . . . . . 3.0 1.8 3.3 . . . . . A . 18 ARG HA . . A . 18 ARG HB2 . . . 18 . HA . . . . . 18 . HB2 . . rr_1bbl 1
110 1 OR . 1 1 18 18 ARG HA H . . . 1 1 18 18 ARG HD2 H . . . . . 4.0 1.8 6.0 . . . . . A . 18 ARG HA . . A . 18 ARG HD2 . . . 18 . HA . . . . . 18 . HD# . . rr_1bbl 1
110 2 OR . 1 1 18 18 ARG HA H . . . 1 1 18 18 ARG HD3 H . . . . . 4.0 1.8 6.0 . . . . . A . 18 ARG HA . . A . 18 ARG HD3 . . . 18 . HA . . . . . 18 . HD# . . rr_1bbl 1
111 1 OR . 1 1 18 18 ARG HB2 H . . . 1 1 18 18 ARG HD2 H . . . . . 3.0 1.8 4.3 . . . . . A . 18 ARG HB2 . . A . 18 ARG HD2 . . . 18 . HB2 . . . . . 18 . HD# . . rr_1bbl 1
111 2 OR . 1 1 18 18 ARG HB2 H . . . 1 1 18 18 ARG HD3 H . . . . . 3.0 1.8 4.3 . . . . . A . 18 ARG HB2 . . A . 18 ARG HD3 . . . 18 . HB2 . . . . . 18 . HD# . . rr_1bbl 1
112 1 OR . 1 1 18 18 ARG HB3 H . . . 1 1 18 18 ARG HD2 H . . . . . 4.0 1.8 6.0 . . . . . A . 18 ARG HB3 . . A . 18 ARG HD2 . . . 18 . HB1 . . . . . 18 . HD# . . rr_1bbl 1
112 2 OR . 1 1 18 18 ARG HB3 H . . . 1 1 18 18 ARG HD3 H . . . . . 4.0 1.8 6.0 . . . . . A . 18 ARG HB3 . . A . 18 ARG HD3 . . . 18 . HB1 . . . . . 18 . HD# . . rr_1bbl 1
113 1 . . 1 1 19 19 LEU H H . . . 1 1 19 19 LEU HA H . . . . . 3.0 1.8 3.3 . . . . . A . 19 LEU H . . A . 19 LEU HA . . . 19 . HN . . . . . 19 . HA . . rr_1bbl 1
114 1 . . 1 1 19 19 LEU H H . . . 1 1 19 19 LEU HB3 H . . . . . 3.0 1.8 3.3 . . . . . A . 19 LEU H . . A . 19 LEU HB3 . . . 19 . HN . . . . . 19 . HB1 . . rr_1bbl 1
115 1 . . 1 1 19 19 LEU H H . . . 1 1 19 19 LEU HB2 H . . . . . 3.0 1.8 3.3 . . . . . A . 19 LEU H . . A . 19 LEU HB2 . . . 19 . HN . . . . . 19 . HB2 . . rr_1bbl 1
116 1 . . 1 1 19 19 LEU H H . . . 1 1 19 19 LEU MD2 H . . . . . 4.0 1.8 6.5 . . . . . A . 19 LEU H . . A . 19 LEU MD2 . . . 19 . HN . . . . . 19 . HD2# . . rr_1bbl 1
117 1 . . 1 1 19 19 LEU HA H . . . 1 1 19 19 LEU HB3 H . . . . . 3.0 1.8 3.3 . . . . . A . 19 LEU HA . . A . 19 LEU HB3 . . . 19 . HA . . . . . 19 . HB1 . . rr_1bbl 1
118 1 . . 1 1 19 19 LEU HA H . . . 1 1 19 19 LEU HB2 H . . . . . 3.0 1.8 3.3 . . . . . A . 19 LEU HA . . A . 19 LEU HB2 . . . 19 . HA . . . . . 19 . HB2 . . rr_1bbl 1
119 1 . . 1 1 19 19 LEU HA H . . . 1 1 19 19 LEU MD1 H . . . . . 3.0 1.8 4.8 . . . . . A . 19 LEU HA . . A . 19 LEU MD1 . . . 19 . HA . . . . . 19 . HD1# . . rr_1bbl 1
120 1 . . 1 1 19 19 LEU HA H . . . 1 1 19 19 LEU MD2 H . . . . . 4.0 1.8 6.5 . . . . . A . 19 LEU HA . . A . 19 LEU MD2 . . . 19 . HA . . . . . 19 . HD2# . . rr_1bbl 1
121 1 . . 1 1 19 19 LEU HB3 H . . . 1 1 19 19 LEU MD1 H . . . . . 3.0 1.8 4.8 . . . . . A . 19 LEU HB3 . . A . 19 LEU MD1 . . . 19 . HB1 . . . . . 19 . HD1# . . rr_1bbl 1
122 1 . . 1 1 19 19 LEU HB3 H . . . 1 1 19 19 LEU MD2 H . . . . . 3.0 1.8 4.8 . . . . . A . 19 LEU HB3 . . A . 19 LEU MD2 . . . 19 . HB1 . . . . . 19 . HD2# . . rr_1bbl 1
123 1 . . 1 1 19 19 LEU HB2 H . . . 1 1 19 19 LEU MD1 H . . . . . 3.0 1.8 4.8 . . . . . A . 19 LEU HB2 . . A . 19 LEU MD1 . . . 19 . HB2 . . . . . 19 . HD1# . . rr_1bbl 1
124 1 . . 1 1 19 19 LEU HB2 H . . . 1 1 19 19 LEU MD2 H . . . . . 3.0 1.8 4.8 . . . . . A . 19 LEU HB2 . . A . 19 LEU MD2 . . . 19 . HB2 . . . . . 19 . HD2# . . rr_1bbl 1
125 1 . . 1 1 20 20 LEU H H . . . 1 1 20 20 LEU HA H . . . . . 4.0 1.8 5.0 . . . . . A . 20 LEU H . . A . 20 LEU HA . . . 20 . HN . . . . . 20 . HA . . rr_1bbl 1
126 1 OR . 1 1 20 20 LEU H H . . . 1 1 20 20 LEU HB2 H . . . . . 3.0 1.8 4.3 . . . . . A . 20 LEU H . . A . 20 LEU HB2 . . . 20 . HN . . . . . 20 . HB# . . rr_1bbl 1
126 2 OR . 1 1 20 20 LEU H H . . . 1 1 20 20 LEU HB3 H . . . . . 3.0 1.8 4.3 . . . . . A . 20 LEU H . . A . 20 LEU HB3 . . . 20 . HN . . . . . 20 . HB# . . rr_1bbl 1
127 1 . . 1 1 20 20 LEU H H . . . 1 1 20 20 LEU HG H . . . . . 4.0 1.8 5.0 . . . . . A . 20 LEU H . . A . 20 LEU HG . . . 20 . HN . . . . . 20 . HG . . rr_1bbl 1
128 1 . . 1 1 20 20 LEU H H . . . 1 1 20 20 LEU MD1 H . . . . . 4.0 1.8 6.5 . . . . . A . 20 LEU H . . A . 20 LEU MD1 . . . 20 . HN . . . . . 20 . HD1# . . rr_1bbl 1
129 1 . . 1 1 20 20 LEU H H . . . 1 1 20 20 LEU MD2 H . . . . . 4.0 1.8 6.5 . . . . . A . 20 LEU H . . A . 20 LEU MD2 . . . 20 . HN . . . . . 20 . HD2# . . rr_1bbl 1
130 1 . . 1 1 20 20 LEU HA H . . . 1 1 20 20 LEU HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 20 LEU HA . . A . 20 LEU HB3 . . . 20 . HA . . . . . 20 . HB1 . . rr_1bbl 1
131 1 . . 1 1 20 20 LEU HA H . . . 1 1 20 20 LEU HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 20 LEU HA . . A . 20 LEU HB2 . . . 20 . HA . . . . . 20 . HB2 . . rr_1bbl 1
132 1 . . 1 1 20 20 LEU HA H . . . 1 1 20 20 LEU HG H . . . . . 4.0 1.8 5.0 . . . . . A . 20 LEU HA . . A . 20 LEU HG . . . 20 . HA . . . . . 20 . HG . . rr_1bbl 1
133 1 . . 1 1 20 20 LEU HA H . . . 1 1 20 20 LEU MD1 H . . . . . 4.0 1.8 6.5 . . . . . A . 20 LEU HA . . A . 20 LEU MD1 . . . 20 . HA . . . . . 20 . HD1# . . rr_1bbl 1
134 1 . . 1 1 20 20 LEU HA H . . . 1 1 20 20 LEU MD2 H . . . . . 3.0 1.8 4.8 . . . . . A . 20 LEU HA . . A . 20 LEU MD2 . . . 20 . HA . . . . . 20 . HD2# . . rr_1bbl 1
135 1 OR . 1 1 20 20 LEU MD1 H . . . 1 1 20 20 LEU HB2 H . . . . . 4.0 1.8 7.5 . . . . . A . 20 LEU HB2 . . A . 20 LEU MD1 . . . 20 . HB# . . . . . 20 . HD1# . . rr_1bbl 1
135 2 OR . 1 1 20 20 LEU HB3 H . . . 1 1 20 20 LEU MD1 H . . . . . 4.0 1.8 7.5 . . . . . A . 20 LEU HB3 . . A . 20 LEU MD1 . . . 20 . HB# . . . . . 20 . HD1# . . rr_1bbl 1
136 1 OR . 1 1 20 20 LEU MD2 H . . . 1 1 20 20 LEU HB2 H . . . . . 4.0 1.8 7.5 . . . . . A . 20 LEU HB2 . . A . 20 LEU MD2 . . . 20 . HB# . . . . . 20 . HD2# . . rr_1bbl 1
136 2 OR . 1 1 20 20 LEU HB3 H . . . 1 1 20 20 LEU MD2 H . . . . . 4.0 1.8 7.5 . . . . . A . 20 LEU HB3 . . A . 20 LEU MD2 . . . 20 . HB# . . . . . 20 . HD2# . . rr_1bbl 1
137 1 . . 1 1 21 21 ALA H H . . . 1 1 21 21 ALA HA H . . . . . 3.0 1.8 3.3 . . . . . A . 21 ALA H . . A . 21 ALA HA . . . 21 . HN . . . . . 21 . HA . . rr_1bbl 1
138 1 . . 1 1 21 21 ALA H H . . . 1 1 21 21 ALA MB H . . . . . 3.0 1.8 4.8 . . . . . A . 21 ALA H . . A . 21 ALA MB . . . 21 . HN . . . . . 21 . HB# . . rr_1bbl 1
139 1 . . 1 1 21 21 ALA HA H . . . 1 1 21 21 ALA MB H . . . . . 3.0 1.8 4.8 . . . . . A . 21 ALA HA . . A . 21 ALA MB . . . 21 . HA . . . . . 21 . HB# . . rr_1bbl 1
140 1 . . 1 1 22 22 GLU H H . . . 1 1 22 22 GLU HA H . . . . . 3.0 1.8 3.3 . . . . . A . 22 GLU H . . A . 22 GLU HA . . . 22 . HN . . . . . 22 . HA . . rr_1bbl 1
141 1 . . 1 1 22 22 GLU H H . . . 1 1 22 22 GLU HB3 H . . . . . 3.0 1.8 3.3 . . . . . A . 22 GLU H . . A . 22 GLU HB3 . . . 22 . HN . . . . . 22 . HB1 . . rr_1bbl 1
142 1 . . 1 1 22 22 GLU H H . . . 1 1 22 22 GLU HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 22 GLU H . . A . 22 GLU HB2 . . . 22 . HN . . . . . 22 . HB2 . . rr_1bbl 1
143 1 OR . 1 1 22 22 GLU H H . . . 1 1 22 22 GLU HG2 H . . . . . 4.0 1.8 6.0 . . . . . A . 22 GLU H . . A . 22 GLU HG2 . . . 22 . HN . . . . . 22 . HG# . . rr_1bbl 1
143 2 OR . 1 1 22 22 GLU H H . . . 1 1 22 22 GLU HG3 H . . . . . 4.0 1.8 6.0 . . . . . A . 22 GLU H . . A . 22 GLU HG3 . . . 22 . HN . . . . . 22 . HG# . . rr_1bbl 1
144 1 . . 1 1 22 22 GLU HA H . . . 1 1 22 22 GLU HB3 H . . . . . 3.0 1.8 3.3 . . . . . A . 22 GLU HA . . A . 22 GLU HB3 . . . 22 . HA . . . . . 22 . HB1 . . rr_1bbl 1
145 1 . . 1 1 22 22 GLU HA H . . . 1 1 22 22 GLU HB2 H . . . . . 3.0 1.8 3.3 . . . . . A . 22 GLU HA . . A . 22 GLU HB2 . . . 22 . HA . . . . . 22 . HB2 . . rr_1bbl 1
146 1 OR . 1 1 22 22 GLU HA H . . . 1 1 22 22 GLU HG2 H . . . . . 3.0 1.8 4.3 . . . . . A . 22 GLU HA . . A . 22 GLU HG2 . . . 22 . HA . . . . . 22 . HG# . . rr_1bbl 1
146 2 OR . 1 1 22 22 GLU HA H . . . 1 1 22 22 GLU HG3 H . . . . . 3.0 1.8 4.3 . . . . . A . 22 GLU HA . . A . 22 GLU HG3 . . . 22 . HA . . . . . 22 . HG# . . rr_1bbl 1
147 1 . . 1 1 23 23 HIS H H . . . 1 1 23 23 HIS HA H . . . . . 4.0 1.8 5.0 . . . . . A . 23 HIS H . . A . 23 HIS HA . . . 23 . HN . . . . . 23 . HA . . rr_1bbl 1
148 1 . . 1 1 23 23 HIS H H . . . 1 1 23 23 HIS HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 23 HIS H . . A . 23 HIS HB3 . . . 23 . HN . . . . . 23 . HB1 . . rr_1bbl 1
149 1 . . 1 1 23 23 HIS H H . . . 1 1 23 23 HIS HB2 H . . . . . 3.0 1.8 3.3 . . . . . A . 23 HIS H . . A . 23 HIS HB2 . . . 23 . HN . . . . . 23 . HB2 . . rr_1bbl 1
150 1 . . 1 1 23 23 HIS H H . . . 1 1 23 23 HIS HD2 H . . . . . 4.0 1.8 5.0 . . . . . A . 23 HIS H . . A . 23 HIS HD2 . . . 23 . HN . . . . . 23 . HD2 . . rr_1bbl 1
151 1 . . 1 1 23 23 HIS HA H . . . 1 1 23 23 HIS HB3 H . . . . . 2.5 1.8 2.8 . . . . . A . 23 HIS HA . . A . 23 HIS HB3 . . . 23 . HA . . . . . 23 . HB1 . . rr_1bbl 1
152 1 . . 1 1 23 23 HIS HA H . . . 1 1 23 23 HIS HB2 H . . . . . 3.0 1.8 3.3 . . . . . A . 23 HIS HA . . A . 23 HIS HB2 . . . 23 . HA . . . . . 23 . HB2 . . rr_1bbl 1
153 1 . . 1 1 23 23 HIS HA H . . . 1 1 23 23 HIS HD2 H . . . . . 4.0 1.8 5.0 . . . . . A . 23 HIS HA . . A . 23 HIS HD2 . . . 23 . HA . . . . . 23 . HD2 . . rr_1bbl 1
154 1 . . 1 1 23 23 HIS HB3 H . . . 1 1 23 23 HIS HD2 H . . . . . 4.0 1.8 5.0 . . . . . A . 23 HIS HB3 . . A . 23 HIS HD2 . . . 23 . HB1 . . . . . 23 . HD2 . . rr_1bbl 1
155 1 . . 1 1 23 23 HIS HB2 H . . . 1 1 23 23 HIS HD2 H . . . . . 4.0 1.8 5.0 . . . . . A . 23 HIS HB2 . . A . 23 HIS HD2 . . . 23 . HB2 . . . . . 23 . HD2 . . rr_1bbl 1
156 1 . . 1 1 23 23 HIS HA H . . . 1 1 23 23 HIS HE1 H . . . . . 5.0 2.5 6.0 . . . . . A . 23 HIS HA . . A . 23 HIS HE1 . . . 23 . HA . . . . . 23 . HE1 . . rr_1bbl 1
157 1 . . 1 1 23 23 HIS HB3 H . . . 1 1 23 23 HIS HE1 H . . . . . 5.0 2.5 6.0 . . . . . A . 23 HIS HB3 . . A . 23 HIS HE1 . . . 23 . HB1 . . . . . 23 . HE1 . . rr_1bbl 1
158 1 . . 1 1 24 24 ASN H H . . . 1 1 24 24 ASN HA H . . . . . 2.5 1.8 2.8 . . . . . A . 24 ASN H . . A . 24 ASN HA . . . 24 . HN . . . . . 24 . HA . . rr_1bbl 1
159 1 . . 1 1 24 24 ASN H H . . . 1 1 24 24 ASN HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 24 ASN H . . A . 24 ASN HB3 . . . 24 . HN . . . . . 24 . HB1 . . rr_1bbl 1
160 1 . . 1 1 24 24 ASN H H . . . 1 1 24 24 ASN HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 24 ASN H . . A . 24 ASN HB2 . . . 24 . HN . . . . . 24 . HB2 . . rr_1bbl 1
161 1 . . 1 1 24 24 ASN HA H . . . 1 1 24 24 ASN HB3 H . . . . . 3.0 1.8 3.3 . . . . . A . 24 ASN HA . . A . 24 ASN HB3 . . . 24 . HA . . . . . 24 . HB1 . . rr_1bbl 1
162 1 . . 1 1 24 24 ASN HA H . . . 1 1 24 24 ASN HB2 H . . . . . 3.0 1.8 3.3 . . . . . A . 24 ASN HA . . A . 24 ASN HB2 . . . 24 . HA . . . . . 24 . HB2 . . rr_1bbl 1
163 1 . . 1 1 24 24 ASN HB3 H . . . 1 1 24 24 ASN HD21 H . . . . . 4.0 1.8 5.0 . . . . . A . 24 ASN HB3 . . A . 24 ASN HD21 . . . 24 . HB1 . . . . . 24 . HD21 . . rr_1bbl 1
164 1 . . 1 1 24 24 ASN HB2 H . . . 1 1 24 24 ASN HD21 H . . . . . 4.0 1.8 5.0 . . . . . A . 24 ASN HB2 . . A . 24 ASN HD21 . . . 24 . HB2 . . . . . 24 . HD21 . . rr_1bbl 1
165 1 . . 1 1 25 25 LEU H H . . . 1 1 25 25 LEU HA H . . . . . 4.0 1.8 5.0 . . . . . A . 25 LEU H . . A . 25 LEU HA . . . 25 . HN . . . . . 25 . HA . . rr_1bbl 1
166 1 . . 1 1 25 25 LEU H H . . . 1 1 25 25 LEU HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 25 LEU H . . A . 25 LEU HB3 . . . 25 . HN . . . . . 25 . HB1 . . rr_1bbl 1
167 1 . . 1 1 25 25 LEU H H . . . 1 1 25 25 LEU HB2 H . . . . . 3.0 1.8 3.3 . . . . . A . 25 LEU H . . A . 25 LEU HB2 . . . 25 . HN . . . . . 25 . HB2 . . rr_1bbl 1
168 1 . . 1 1 25 25 LEU H H . . . 1 1 25 25 LEU HG H . . . . . 4.0 1.8 5.0 . . . . . A . 25 LEU H . . A . 25 LEU HG . . . 25 . HN . . . . . 25 . HG . . rr_1bbl 1
169 1 . . 1 1 25 25 LEU H H . . . 1 1 25 25 LEU MD1 H . . . . . 4.0 1.8 6.5 . . . . . A . 25 LEU H . . A . 25 LEU MD1 . . . 25 . HN . . . . . 25 . HD1# . . rr_1bbl 1
170 1 . . 1 1 25 25 LEU H H . . . 1 1 25 25 LEU MD2 H . . . . . 4.0 1.8 6.5 . . . . . A . 25 LEU H . . A . 25 LEU MD2 . . . 25 . HN . . . . . 25 . HD2# . . rr_1bbl 1
171 1 . . 1 1 25 25 LEU HA H . . . 1 1 25 25 LEU HB3 H . . . . . 3.0 1.8 4.3 . . . . . A . 25 LEU HA . . A . 25 LEU HB3 . . . 25 . HA . . . . . 25 . HB1 . . rr_1bbl 1
172 1 . . 1 1 25 25 LEU HA H . . . 1 1 25 25 LEU HB2 H . . . . . 3.0 1.8 4.3 . . . . . A . 25 LEU HA . . A . 25 LEU HB2 . . . 25 . HA . . . . . 25 . HB2 . . rr_1bbl 1
173 1 . . 1 1 25 25 LEU HA H . . . 1 1 25 25 LEU MD1 H . . . . . 4.0 1.8 6.5 . . . . . A . 25 LEU HA . . A . 25 LEU MD1 . . . 25 . HA . . . . . 25 . HD1# . . rr_1bbl 1
174 1 . . 1 1 25 25 LEU HA H . . . 1 1 25 25 LEU MD2 H . . . . . 3.0 1.8 4.8 . . . . . A . 25 LEU HA . . A . 25 LEU MD2 . . . 25 . HA . . . . . 25 . HD2# . . rr_1bbl 1
175 1 . . 1 1 25 25 LEU HB2 H . . . 1 1 25 25 LEU MD1 H . . . . . 3.0 1.8 4.8 . . . . . A . 25 LEU HB2 . . A . 25 LEU MD1 . . . 25 . HB2 . . . . . 25 . HD1# . . rr_1bbl 1
176 1 . . 1 1 25 25 LEU HB2 H . . . 1 1 25 25 LEU MD2 H . . . . . 3.0 1.8 4.8 . . . . . A . 25 LEU HB2 . . A . 25 LEU MD2 . . . 25 . HB2 . . . . . 25 . HD2# . . rr_1bbl 1
177 1 . . 1 1 25 25 LEU HB3 H . . . 1 1 25 25 LEU MD1 H . . . . . 3.0 1.8 4.8 . . . . . A . 25 LEU HB3 . . A . 25 LEU MD1 . . . 25 . HB1 . . . . . 25 . HD1# . . rr_1bbl 1
178 1 . . 1 1 25 25 LEU HB3 H . . . 1 1 25 25 LEU MD2 H . . . . . 3.0 1.8 4.8 . . . . . A . 25 LEU HB3 . . A . 25 LEU MD2 . . . 25 . HB1 . . . . . 25 . HD2# . . rr_1bbl 1
179 1 . . 1 1 26 26 ASP H H . . . 1 1 26 26 ASP HA H . . . . . 4.0 1.8 5.0 . . . . . A . 26 ASP H . . A . 26 ASP HA . . . 26 . HN . . . . . 26 . HA . . rr_1bbl 1
180 1 . . 1 1 26 26 ASP H H . . . 1 1 26 26 ASP HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 26 ASP H . . A . 26 ASP HB3 . . . 26 . HN . . . . . 26 . HB1 . . rr_1bbl 1
181 1 . . 1 1 26 26 ASP H H . . . 1 1 26 26 ASP HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 26 ASP H . . A . 26 ASP HB2 . . . 26 . HN . . . . . 26 . HB2 . . rr_1bbl 1
182 1 . . 1 1 26 26 ASP HA H . . . 1 1 26 26 ASP HB3 H . . . . . 3.0 1.8 3.3 . . . . . A . 26 ASP HA . . A . 26 ASP HB3 . . . 26 . HA . . . . . 26 . HB1 . . rr_1bbl 1
183 1 . . 1 1 26 26 ASP HA H . . . 1 1 26 26 ASP HB2 H . . . . . 3.0 1.8 3.3 . . . . . A . 26 ASP HA . . A . 26 ASP HB2 . . . 26 . HA . . . . . 26 . HB2 . . rr_1bbl 1
184 1 . . 1 1 27 27 ALA H H . . . 1 1 27 27 ALA HA H . . . . . 4.0 1.8 5.0 . . . . . A . 27 ALA H . . A . 27 ALA HA . . . 27 . HN . . . . . 27 . HA . . rr_1bbl 1
185 1 . . 1 1 27 27 ALA H H . . . 1 1 27 27 ALA MB H . . . . . 3.0 1.8 4.8 . . . . . A . 27 ALA H . . A . 27 ALA MB . . . 27 . HN . . . . . 27 . HB# . . rr_1bbl 1
186 1 . . 1 1 27 27 ALA HA H . . . 1 1 27 27 ALA MB H . . . . . 3.0 1.8 4.8 . . . . . A . 27 ALA HA . . A . 27 ALA MB . . . 27 . HA . . . . . 27 . HB# . . rr_1bbl 1
187 1 . . 1 1 28 28 SER H H . . . 1 1 28 28 SER HA H . . . . . 4.0 1.8 5.0 . . . . . A . 28 SER H . . A . 28 SER HA . . . 28 . HN . . . . . 28 . HA . . rr_1bbl 1
188 1 OR . 1 1 28 28 SER H H . . . 1 1 28 28 SER HB2 H . . . . . 3.0 1.8 4.3 . . . . . A . 28 SER H . . A . 28 SER HB2 . . . 28 . HN . . . . . 28 . HB# . . rr_1bbl 1
188 2 OR . 1 1 28 28 SER H H . . . 1 1 28 28 SER HB3 H . . . . . 3.0 1.8 4.3 . . . . . A . 28 SER H . . A . 28 SER HB3 . . . 28 . HN . . . . . 28 . HB# . . rr_1bbl 1
189 1 . . 1 1 28 28 SER HA H . . . 1 1 28 28 SER HB3 H . . . . . 3.0 1.8 3.3 . . . . . A . 28 SER HA . . A . 28 SER HB3 . . . 28 . HA . . . . . 28 . HB1 . . rr_1bbl 1
190 1 . . 1 1 28 28 SER HA H . . . 1 1 28 28 SER HB2 H . . . . . 3.0 1.8 3.3 . . . . . A . 28 SER HA . . A . 28 SER HB2 . . . 28 . HA . . . . . 28 . HB2 . . rr_1bbl 1
191 1 . . 1 1 29 29 ALA H H . . . 1 1 29 29 ALA HA H . . . . . 4.0 1.8 5.0 . . . . . A . 29 ALA H . . A . 29 ALA HA . . . 29 . HN . . . . . 29 . HA . . rr_1bbl 1
192 1 . . 1 1 29 29 ALA H H . . . 1 1 29 29 ALA MB H . . . . . 3.0 1.8 4.8 . . . . . A . 29 ALA H . . A . 29 ALA MB . . . 29 . HN . . . . . 29 . HB# . . rr_1bbl 1
193 1 . . 1 1 29 29 ALA HA H . . . 1 1 29 29 ALA MB H . . . . . 3.0 1.8 4.8 . . . . . A . 29 ALA HA . . A . 29 ALA MB . . . 29 . HA . . . . . 29 . HB# . . rr_1bbl 1
194 1 . . 1 1 30 30 ILE H H . . . 1 1 30 30 ILE HA H . . . . . 4.0 1.8 5.0 . . . . . A . 30 ILE H . . A . 30 ILE HA . . . 30 . HN . . . . . 30 . HA . . rr_1bbl 1
195 1 . . 1 1 30 30 ILE H H . . . 1 1 30 30 ILE HB H . . . . . 3.0 1.8 3.3 . . . . . A . 30 ILE H . . A . 30 ILE HB . . . 30 . HN . . . . . 30 . HB . . rr_1bbl 1
196 1 . . 1 1 30 30 ILE H H . . . 1 1 30 30 ILE HG13 H . . . . . 4.0 1.8 5.0 . . . . . A . 30 ILE H . . A . 30 ILE HG13 . . . 30 . HN . . . . . 30 . HG11 . . rr_1bbl 1
197 1 . . 1 1 30 30 ILE H H . . . 1 1 30 30 ILE HG12 H . . . . . 4.0 1.8 5.0 . . . . . A . 30 ILE H . . A . 30 ILE HG12 . . . 30 . HN . . . . . 30 . HG12 . . rr_1bbl 1
198 1 . . 1 1 30 30 ILE H H . . . 1 1 30 30 ILE MG H . . . . . 4.0 1.8 6.5 . . . . . A . 30 ILE H . . A . 30 ILE MG . . . 30 . HN . . . . . 30 . HG2# . . rr_1bbl 1
199 1 . . 1 1 30 30 ILE HA H . . . 1 1 30 30 ILE HB H . . . . . 4.0 1.8 5.0 . . . . . A . 30 ILE HA . . A . 30 ILE HB . . . 30 . HA . . . . . 30 . HB . . rr_1bbl 1
200 1 . . 1 1 30 30 ILE HA H . . . 1 1 30 30 ILE HG13 H . . . . . 4.0 1.8 5.0 . . . . . A . 30 ILE HA . . A . 30 ILE HG13 . . . 30 . HA . . . . . 30 . HG11 . . rr_1bbl 1
201 1 . . 1 1 30 30 ILE HA H . . . 1 1 30 30 ILE HG12 H . . . . . 3.0 1.8 3.3 . . . . . A . 30 ILE HA . . A . 30 ILE HG12 . . . 30 . HA . . . . . 30 . HG12 . . rr_1bbl 1
202 1 . . 1 1 30 30 ILE HA H . . . 1 1 30 30 ILE MG H . . . . . 3.0 1.8 4.8 . . . . . A . 30 ILE HA . . A . 30 ILE MG . . . 30 . HA . . . . . 30 . HG2# . . rr_1bbl 1
203 1 . . 1 1 30 30 ILE HA H . . . 1 1 30 30 ILE MD H . . . . . 4.0 1.8 6.5 . . . . . A . 30 ILE HA . . A . 30 ILE MD . . . 30 . HA . . . . . 30 . HD# . . rr_1bbl 1
204 1 . . 1 1 30 30 ILE HB H . . . 1 1 30 30 ILE MD H . . . . . 4.0 1.8 6.5 . . . . . A . 30 ILE HB . . A . 30 ILE MD . . . 30 . HB . . . . . 30 . HD# . . rr_1bbl 1
205 1 . . 1 1 31 31 LYS H H . . . 1 1 31 31 LYS HA H . . . . . 4.0 1.8 5.0 . . . . . A . 31 LYS H . . A . 31 LYS HA . . . 31 . HN . . . . . 31 . HA . . rr_1bbl 1
206 1 OR . 1 1 31 31 LYS H H . . . 1 1 31 31 LYS HB2 H . . . . . 3.0 1.8 4.3 . . . . . A . 31 LYS H . . A . 31 LYS HB2 . . . 31 . HN . . . . . 31 . HB# . . rr_1bbl 1
206 2 OR . 1 1 31 31 LYS H H . . . 1 1 31 31 LYS HB3 H . . . . . 3.0 1.8 4.3 . . . . . A . 31 LYS H . . A . 31 LYS HB3 . . . 31 . HN . . . . . 31 . HB# . . rr_1bbl 1
207 1 OR . 1 1 31 31 LYS HA H . . . 1 1 31 31 LYS HB2 H . . . . . 3.0 1.8 4.3 . . . . . A . 31 LYS HA . . A . 31 LYS HB2 . . . 31 . HA . . . . . 31 . HB# . . rr_1bbl 1
207 2 OR . 1 1 31 31 LYS HA H . . . 1 1 31 31 LYS HB3 H . . . . . 3.0 1.8 4.3 . . . . . A . 31 LYS HA . . A . 31 LYS HB3 . . . 31 . HA . . . . . 31 . HB# . . rr_1bbl 1
208 1 OR . 1 1 32 32 GLY H H . . . 1 1 32 32 GLY HA3 H . . . . . 2.5 1.8 3.8 . . . . . A . 32 GLY H . . A . 32 GLY HA3 . . . 32 . HN . . . . . 32 . HA# . . rr_1bbl 1
208 2 OR . 1 1 32 32 GLY H H . . . 1 1 32 32 GLY HA2 H . . . . . 2.5 1.8 3.8 . . . . . A . 32 GLY H . . A . 32 GLY HA2 . . . 32 . HN . . . . . 32 . HA# . . rr_1bbl 1
209 1 . . 1 1 33 33 THR H H . . . 1 1 33 33 THR MG H . . . . . 4.0 1.8 6.5 . . . . . A . 33 THR H . . A . 33 THR MG . . . 33 . HN . . . . . 33 . HG2# . . rr_1bbl 1
210 1 . . 1 1 33 33 THR HA H . . . 1 1 33 33 THR HB H . . . . . 3.0 1.8 3.3 . . . . . A . 33 THR HA . . A . 33 THR HB . . . 33 . HA . . . . . 33 . HB . . rr_1bbl 1
211 1 . . 1 1 33 33 THR MG H . . . 1 1 33 33 THR HA H . . . . . 3.0 1.8 4.8 . . . . . A . 33 THR HA . . A . 33 THR MG . . . 33 . HA . . . . . 33 . HG2# . . rr_1bbl 1
212 1 . . 1 1 33 33 THR MG H . . . 1 1 33 33 THR HB H . . . . . 3.0 1.8 4.8 . . . . . A . 33 THR HB . . A . 33 THR MG . . . 33 . HB . . . . . 33 . HG2# . . rr_1bbl 1
213 1 OR . 1 1 34 34 GLY H H . . . 1 1 34 34 GLY HA3 H . . . . . 2.5 1.8 3.8 . . . . . A . 34 GLY H . . A . 34 GLY HA3 . . . 34 . HN . . . . . 34 . HA# . . rr_1bbl 1
213 2 OR . 1 1 34 34 GLY H H . . . 1 1 34 34 GLY HA2 H . . . . . 2.5 1.8 3.8 . . . . . A . 34 GLY H . . A . 34 GLY HA2 . . . 34 . HN . . . . . 34 . HA# . . rr_1bbl 1
214 1 . . 1 1 35 35 VAL H H . . . 1 1 35 35 VAL HA H . . . . . 4.0 1.8 5.0 . . . . . A . 35 VAL H . . A . 35 VAL HA . . . 35 . HN . . . . . 35 . HA . . rr_1bbl 1
215 1 . . 1 1 35 35 VAL H H . . . 1 1 35 35 VAL HB H . . . . . 3.0 1.8 3.3 . . . . . A . 35 VAL H . . A . 35 VAL HB . . . 35 . HN . . . . . 35 . HB . . rr_1bbl 1
216 1 . . 1 1 35 35 VAL H H . . . 1 1 35 35 VAL MG1 H . . . . . 4.0 1.8 6.5 . . . . . A . 35 VAL H . . A . 35 VAL MG1 . . . 35 . HN . . . . . 35 . HG1# . . rr_1bbl 1
217 1 . . 1 1 35 35 VAL H H . . . 1 1 35 35 VAL MG2 H . . . . . 3.0 1.8 4.8 . . . . . A . 35 VAL H . . A . 35 VAL MG2 . . . 35 . HN . . . . . 35 . HG2# . . rr_1bbl 1
218 1 . . 1 1 35 35 VAL HA H . . . 1 1 35 35 VAL HB H . . . . . 3.0 1.8 3.3 . . . . . A . 35 VAL HA . . A . 35 VAL HB . . . 35 . HA . . . . . 35 . HB . . rr_1bbl 1
219 1 . . 1 1 35 35 VAL HA H . . . 1 1 35 35 VAL MG1 H . . . . . 3.0 1.8 4.8 . . . . . A . 35 VAL HA . . A . 35 VAL MG1 . . . 35 . HA . . . . . 35 . HG1# . . rr_1bbl 1
220 1 . . 1 1 35 35 VAL HA H . . . 1 1 35 35 VAL MG2 H . . . . . 3.0 1.8 4.8 . . . . . A . 35 VAL HA . . A . 35 VAL MG2 . . . 35 . HA . . . . . 35 . HG2# . . rr_1bbl 1
221 1 OR . 1 1 36 36 GLY H H . . . 1 1 36 36 GLY HA3 H . . . . . 2.5 1.8 3.8 . . . . . A . 36 GLY H . . A . 36 GLY HA3 . . . 36 . HN . . . . . 36 . HA# . . rr_1bbl 1
221 2 OR . 1 1 36 36 GLY H H . . . 1 1 36 36 GLY HA2 H . . . . . 2.5 1.8 3.8 . . . . . A . 36 GLY H . . A . 36 GLY HA2 . . . 36 . HN . . . . . 36 . HA# . . rr_1bbl 1
222 1 . . 1 1 37 37 GLY H H . . . 1 1 37 37 GLY HA3 H . . . . . 3.0 1.8 3.3 . . . . . A . 37 GLY H . . A . 37 GLY HA3 . . . 37 . HN . . . . . 37 . HA1 . . rr_1bbl 1
223 1 . . 1 1 37 37 GLY H H . . . 1 1 37 37 GLY HA2 H . . . . . 2.5 1.8 2.8 . . . . . A . 37 GLY H . . A . 37 GLY HA2 . . . 37 . HN . . . . . 37 . HA2 . . rr_1bbl 1
224 1 . . 1 1 38 38 ARG H H . . . 1 1 38 38 ARG HA H . . . . . 4.0 1.8 5.0 . . . . . A . 38 ARG H . . A . 38 ARG HA . . . 38 . HN . . . . . 38 . HA . . rr_1bbl 1
225 1 OR . 1 1 38 38 ARG H H . . . 1 1 38 38 ARG HB3 H . . . . . 4.0 1.8 6.0 . . . . . A . 38 ARG H . . A . 38 ARG HB3 . . . 38 . HN . . . . . 38 . HB# . . rr_1bbl 1
225 2 OR . 1 1 38 38 ARG H H . . . 1 1 38 38 ARG HB2 H . . . . . 4.0 1.8 6.0 . . . . . A . 38 ARG H . . A . 38 ARG HB2 . . . 38 . HN . . . . . 38 . HB# . . rr_1bbl 1
226 1 OR . 1 1 38 38 ARG H H . . . 1 1 38 38 ARG HG2 H . . . . . 4.0 1.8 6.0 . . . . . A . 38 ARG H . . A . 38 ARG HG2 . . . 38 . HN . . . . . 38 . HG# . . rr_1bbl 1
226 2 OR . 1 1 38 38 ARG H H . . . 1 1 38 38 ARG HG3 H . . . . . 4.0 1.8 6.0 . . . . . A . 38 ARG H . . A . 38 ARG HG3 . . . 38 . HN . . . . . 38 . HG# . . rr_1bbl 1
227 1 . . 1 1 38 38 ARG HA H . . . 1 1 38 38 ARG HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 38 ARG HA . . A . 38 ARG HB3 . . . 38 . HA . . . . . 38 . HB1 . . rr_1bbl 1
228 1 . . 1 1 38 38 ARG HA H . . . 1 1 38 38 ARG HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 38 ARG HA . . A . 38 ARG HB2 . . . 38 . HA . . . . . 38 . HB2 . . rr_1bbl 1
229 1 OR . 1 1 38 38 ARG HA H . . . 1 1 38 38 ARG HD2 H . . . . . 4.0 1.8 6.0 . . . . . A . 38 ARG HA . . A . 38 ARG HD2 . . . 38 . HA . . . . . 38 . HD# . . rr_1bbl 1
229 2 OR . 1 1 38 38 ARG HA H . . . 1 1 38 38 ARG HD3 H . . . . . 4.0 1.8 6.0 . . . . . A . 38 ARG HA . . A . 38 ARG HD3 . . . 38 . HA . . . . . 38 . HD# . . rr_1bbl 1
230 1 OR . 1 1 38 38 ARG HE H . . . 1 1 38 38 ARG HB3 H . . . . . 4.0 1.8 6.0 . . . . . A . 38 ARG HB3 . . A . 38 ARG HE . . . 38 . HB# . . . . . 38 . HE . . rr_1bbl 1
230 2 OR . 1 1 38 38 ARG HB2 H . . . 1 1 38 38 ARG HE H . . . . . 4.0 1.8 6.0 . . . . . A . 38 ARG HB2 . . A . 38 ARG HE . . . 38 . HB# . . . . . 38 . HE . . rr_1bbl 1
231 1 OR . 1 1 38 38 ARG HE H . . . 1 1 38 38 ARG HG2 H . . . . . 4.0 1.8 6.0 . . . . . A . 38 ARG HG2 . . A . 38 ARG HE . . . 38 . HG# . . . . . 38 . HE . . rr_1bbl 1
231 2 OR . 1 1 38 38 ARG HG3 H . . . 1 1 38 38 ARG HE H . . . . . 4.0 1.8 6.0 . . . . . A . 38 ARG HG3 . . A . 38 ARG HE . . . 38 . HG# . . . . . 38 . HE . . rr_1bbl 1
232 1 . . 1 1 39 39 LEU H H . . . 1 1 39 39 LEU HA H . . . . . 4.0 1.8 5.0 . . . . . A . 39 LEU H . . A . 39 LEU HA . . . 39 . HN . . . . . 39 . HA . . rr_1bbl 1
233 1 . . 1 1 39 39 LEU H H . . . 1 1 39 39 LEU HB3 H . . . . . 3.0 1.8 3.3 . . . . . A . 39 LEU H . . A . 39 LEU HB3 . . . 39 . HN . . . . . 39 . HB1 . . rr_1bbl 1
234 1 . . 1 1 39 39 LEU H H . . . 1 1 39 39 LEU HB2 H . . . . . 3.0 1.8 3.3 . . . . . A . 39 LEU H . . A . 39 LEU HB2 . . . 39 . HN . . . . . 39 . HB2 . . rr_1bbl 1
235 1 . . 1 1 39 39 LEU H H . . . 1 1 39 39 LEU MD1 H . . . . . 4.0 1.8 6.5 . . . . . A . 39 LEU H . . A . 39 LEU MD1 . . . 39 . HN . . . . . 39 . HD1# . . rr_1bbl 1
236 1 . . 1 1 39 39 LEU H H . . . 1 1 39 39 LEU MD2 H . . . . . 4.0 1.8 6.5 . . . . . A . 39 LEU H . . A . 39 LEU MD2 . . . 39 . HN . . . . . 39 . HD2# . . rr_1bbl 1
237 1 . . 1 1 39 39 LEU HA H . . . 1 1 39 39 LEU HB3 H . . . . . 3.0 1.8 3.3 . . . . . A . 39 LEU HA . . A . 39 LEU HB3 . . . 39 . HA . . . . . 39 . HB1 . . rr_1bbl 1
238 1 . . 1 1 39 39 LEU HA H . . . 1 1 39 39 LEU HB2 H . . . . . 2.5 1.8 2.8 . . . . . A . 39 LEU HA . . A . 39 LEU HB2 . . . 39 . HA . . . . . 39 . HB2 . . rr_1bbl 1
239 1 . . 1 1 39 39 LEU HA H . . . 1 1 39 39 LEU HG H . . . . . 4.0 1.8 5.0 . . . . . A . 39 LEU HA . . A . 39 LEU HG . . . 39 . HA . . . . . 39 . HG . . rr_1bbl 1
240 1 . . 1 1 39 39 LEU HA H . . . 1 1 39 39 LEU MD1 H . . . . . 3.0 1.8 4.8 . . . . . A . 39 LEU HA . . A . 39 LEU MD1 . . . 39 . HA . . . . . 39 . HD1# . . rr_1bbl 1
241 1 . . 1 1 39 39 LEU HA H . . . 1 1 39 39 LEU MD2 H . . . . . 3.0 1.8 4.8 . . . . . A . 39 LEU HA . . A . 39 LEU MD2 . . . 39 . HA . . . . . 39 . HD2# . . rr_1bbl 1
242 1 . . 1 1 40 40 THR H H . . . 1 1 40 40 THR HA H . . . . . 4.0 1.8 5.0 . . . . . A . 40 THR H . . A . 40 THR HA . . . 40 . HN . . . . . 40 . HA . . rr_1bbl 1
243 1 . . 1 1 40 40 THR H H . . . 1 1 40 40 THR MG H . . . . . 4.0 1.8 6.5 . . . . . A . 40 THR H . . A . 40 THR MG . . . 40 . HN . . . . . 40 . HG2# . . rr_1bbl 1
244 1 . . 1 1 40 40 THR HA H . . . 1 1 40 40 THR HB H . . . . . 3.0 1.8 3.3 . . . . . A . 40 THR HA . . A . 40 THR HB . . . 40 . HA . . . . . 40 . HB . . rr_1bbl 1
245 1 . . 1 1 40 40 THR HA H . . . 1 1 40 40 THR MG H . . . . . 3.0 1.8 4.8 . . . . . A . 40 THR HA . . A . 40 THR MG . . . 40 . HA . . . . . 40 . HG2# . . rr_1bbl 1
246 1 . . 1 1 40 40 THR MG H . . . 1 1 40 40 THR HB H . . . . . 3.0 1.8 4.8 . . . . . A . 40 THR HB . . A . 40 THR MG . . . 40 . HB . . . . . 40 . HG2# . . rr_1bbl 1
247 1 . . 1 1 41 41 ARG H H . . . 1 1 41 41 ARG HA H . . . . . 3.0 1.8 3.3 . . . . . A . 41 ARG H . . A . 41 ARG HA . . . 41 . HN . . . . . 41 . HA . . rr_1bbl 1
248 1 . . 1 1 41 41 ARG H H . . . 1 1 41 41 ARG HB3 H . . . . . 3.0 1.8 3.3 . . . . . A . 41 ARG H . . A . 41 ARG HB3 . . . 41 . HN . . . . . 41 . HB1 . . rr_1bbl 1
249 1 . . 1 1 41 41 ARG H H . . . 1 1 41 41 ARG HB2 H . . . . . 3.0 1.8 3.3 . . . . . A . 41 ARG H . . A . 41 ARG HB2 . . . 41 . HN . . . . . 41 . HB2 . . rr_1bbl 1
250 1 OR . 1 1 41 41 ARG H H . . . 1 1 41 41 ARG HG2 H . . . . . 4.0 1.8 6.0 . . . . . A . 41 ARG H . . A . 41 ARG HG2 . . . 41 . HN . . . . . 41 . HG# . . rr_1bbl 1
250 2 OR . 1 1 41 41 ARG H H . . . 1 1 41 41 ARG HG3 H . . . . . 4.0 1.8 6.0 . . . . . A . 41 ARG H . . A . 41 ARG HG3 . . . 41 . HN . . . . . 41 . HG# . . rr_1bbl 1
251 1 OR . 1 1 41 41 ARG H H . . . 1 1 41 41 ARG HD2 H . . . . . 5.0 2.5 7.0 . . . . . A . 41 ARG H . . A . 41 ARG HD2 . . . 41 . HN . . . . . 41 . HD# . . rr_1bbl 1
251 2 OR . 1 1 41 41 ARG H H . . . 1 1 41 41 ARG HD3 H . . . . . 5.0 2.5 7.0 . . . . . A . 41 ARG H . . A . 41 ARG HD3 . . . 41 . HN . . . . . 41 . HD# . . rr_1bbl 1
252 1 . . 1 1 41 41 ARG HA H . . . 1 1 41 41 ARG HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 41 ARG HA . . A . 41 ARG HB3 . . . 41 . HA . . . . . 41 . HB1 . . rr_1bbl 1
253 1 . . 1 1 41 41 ARG HA H . . . 1 1 41 41 ARG HB2 H . . . . . 2.5 1.8 2.8 . . . . . A . 41 ARG HA . . A . 41 ARG HB2 . . . 41 . HA . . . . . 41 . HB2 . . rr_1bbl 1
254 1 OR . 1 1 41 41 ARG HA H . . . 1 1 41 41 ARG HG2 H . . . . . 3.0 1.8 4.3 . . . . . A . 41 ARG HA . . A . 41 ARG HG2 . . . 41 . HA . . . . . 41 . HG# . . rr_1bbl 1
254 2 OR . 1 1 41 41 ARG HA H . . . 1 1 41 41 ARG HG3 H . . . . . 3.0 1.8 4.3 . . . . . A . 41 ARG HA . . A . 41 ARG HG3 . . . 41 . HA . . . . . 41 . HG# . . rr_1bbl 1
255 1 OR . 1 1 41 41 ARG HA H . . . 1 1 41 41 ARG HD2 H . . . . . 4.0 1.8 6.0 . . . . . A . 41 ARG HA . . A . 41 ARG HD2 . . . 41 . HA . . . . . 41 . HD# . . rr_1bbl 1
255 2 OR . 1 1 41 41 ARG HA H . . . 1 1 41 41 ARG HD3 H . . . . . 4.0 1.8 6.0 . . . . . A . 41 ARG HA . . A . 41 ARG HD3 . . . 41 . HA . . . . . 41 . HD# . . rr_1bbl 1
256 1 OR . 1 1 41 41 ARG HB2 H . . . 1 1 41 41 ARG HD2 H . . . . . 3.0 1.8 4.3 . . . . . A . 41 ARG HB2 . . A . 41 ARG HD2 . . . 41 . HB2 . . . . . 41 . HD# . . rr_1bbl 1
256 2 OR . 1 1 41 41 ARG HB2 H . . . 1 1 41 41 ARG HD3 H . . . . . 3.0 1.8 4.3 . . . . . A . 41 ARG HB2 . . A . 41 ARG HD3 . . . 41 . HB2 . . . . . 41 . HD# . . rr_1bbl 1
257 1 . . 1 1 41 41 ARG HB2 H . . . 1 1 41 41 ARG HE H . . . . . 5.0 2.5 6.0 . . . . . A . 41 ARG HB2 . . A . 41 ARG HE . . . 41 . HB2 . . . . . 41 . HE . . rr_1bbl 1
258 1 OR . 1 1 41 41 ARG HE H . . . 1 1 41 41 ARG HG2 H . . . . . 4.0 1.8 6.0 . . . . . A . 41 ARG HG2 . . A . 41 ARG HE . . . 41 . HG# . . . . . 41 . HE . . rr_1bbl 1
258 2 OR . 1 1 41 41 ARG HG3 H . . . 1 1 41 41 ARG HE H . . . . . 4.0 1.8 6.0 . . . . . A . 41 ARG HG3 . . A . 41 ARG HE . . . 41 . HG# . . . . . 41 . HE . . rr_1bbl 1
259 1 . . 1 1 42 42 GLU H H . . . 1 1 42 42 GLU HA H . . . . . 3.0 1.8 3.3 . . . . . A . 42 GLU H . . A . 42 GLU HA . . . 42 . HN . . . . . 42 . HA . . rr_1bbl 1
260 1 . . 1 1 42 42 GLU H H . . . 1 1 42 42 GLU HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 42 GLU H . . A . 42 GLU HB3 . . . 42 . HN . . . . . 42 . HB1 . . rr_1bbl 1
261 1 . . 1 1 42 42 GLU H H . . . 1 1 42 42 GLU HB2 H . . . . . 3.0 1.8 3.3 . . . . . A . 42 GLU H . . A . 42 GLU HB2 . . . 42 . HN . . . . . 42 . HB2 . . rr_1bbl 1
262 1 OR . 1 1 42 42 GLU H H . . . 1 1 42 42 GLU HG2 H . . . . . 5.0 2.5 7.0 . . . . . A . 42 GLU H . . A . 42 GLU HG2 . . . 42 . HN . . . . . 42 . HG# . . rr_1bbl 1
262 2 OR . 1 1 42 42 GLU H H . . . 1 1 42 42 GLU HG3 H . . . . . 5.0 2.5 7.0 . . . . . A . 42 GLU H . . A . 42 GLU HG3 . . . 42 . HN . . . . . 42 . HG# . . rr_1bbl 1
263 1 . . 1 1 42 42 GLU HA H . . . 1 1 42 42 GLU HB3 H . . . . . 3.0 1.8 3.3 . . . . . A . 42 GLU HA . . A . 42 GLU HB3 . . . 42 . HA . . . . . 42 . HB1 . . rr_1bbl 1
264 1 . . 1 1 42 42 GLU HA H . . . 1 1 42 42 GLU HB2 H . . . . . 3.0 1.8 3.3 . . . . . A . 42 GLU HA . . A . 42 GLU HB2 . . . 42 . HA . . . . . 42 . HB2 . . rr_1bbl 1
265 1 OR . 1 1 42 42 GLU HA H . . . 1 1 42 42 GLU HG2 H . . . . . 3.0 1.8 4.3 . . . . . A . 42 GLU HA . . A . 42 GLU HG2 . . . 42 . HA . . . . . 42 . HG# . . rr_1bbl 1
265 2 OR . 1 1 42 42 GLU HA H . . . 1 1 42 42 GLU HG3 H . . . . . 3.0 1.8 4.3 . . . . . A . 42 GLU HA . . A . 42 GLU HG3 . . . 42 . HA . . . . . 42 . HG# . . rr_1bbl 1
266 1 . . 1 1 43 43 ASP H H . . . 1 1 43 43 ASP HA H . . . . . 4.0 1.8 5.0 . . . . . A . 43 ASP H . . A . 43 ASP HA . . . 43 . HN . . . . . 43 . HA . . rr_1bbl 1
267 1 OR . 1 1 43 43 ASP H H . . . 1 1 43 43 ASP HB3 H . . . . . 3.0 1.8 4.3 . . . . . A . 43 ASP H . . A . 43 ASP HB3 . . . 43 . HN . . . . . 43 . HB# . . rr_1bbl 1
267 2 OR . 1 1 43 43 ASP H H . . . 1 1 43 43 ASP HB2 H . . . . . 3.0 1.8 4.3 . . . . . A . 43 ASP H . . A . 43 ASP HB2 . . . 43 . HN . . . . . 43 . HB# . . rr_1bbl 1
268 1 . . 1 1 43 43 ASP HA H . . . 1 1 43 43 ASP HB3 H . . . . . 3.0 1.8 3.3 . . . . . A . 43 ASP HA . . A . 43 ASP HB3 . . . 43 . HA . . . . . 43 . HB1 . . rr_1bbl 1
269 1 . . 1 1 43 43 ASP HA H . . . 1 1 43 43 ASP HB2 H . . . . . 3.0 1.8 3.3 . . . . . A . 43 ASP HA . . A . 43 ASP HB2 . . . 43 . HA . . . . . 43 . HB2 . . rr_1bbl 1
270 1 . . 1 1 44 44 VAL H H . . . 1 1 44 44 VAL HA H . . . . . 4.0 1.8 5.0 . . . . . A . 44 VAL H . . A . 44 VAL HA . . . 44 . HN . . . . . 44 . HA . . rr_1bbl 1
271 1 . . 1 1 44 44 VAL H H . . . 1 1 44 44 VAL HB H . . . . . 2.5 1.8 2.8 . . . . . A . 44 VAL H . . A . 44 VAL HB . . . 44 . HN . . . . . 44 . HB . . rr_1bbl 1
272 1 . . 1 1 44 44 VAL H H . . . 1 1 44 44 VAL MG1 H . . . . . 4.0 1.8 6.5 . . . . . A . 44 VAL H . . A . 44 VAL MG1 . . . 44 . HN . . . . . 44 . HG1# . . rr_1bbl 1
273 1 . . 1 1 44 44 VAL H H . . . 1 1 44 44 VAL MG2 H . . . . . 3.0 1.8 4.8 . . . . . A . 44 VAL H . . A . 44 VAL MG2 . . . 44 . HN . . . . . 44 . HG2# . . rr_1bbl 1
274 1 . . 1 1 44 44 VAL HA H . . . 1 1 44 44 VAL HB H . . . . . 3.0 1.8 3.3 . . . . . A . 44 VAL HA . . A . 44 VAL HB . . . 44 . HA . . . . . 44 . HB . . rr_1bbl 1
275 1 . . 1 1 44 44 VAL HA H . . . 1 1 44 44 VAL MG1 H . . . . . 3.0 1.8 4.8 . . . . . A . 44 VAL HA . . A . 44 VAL MG1 . . . 44 . HA . . . . . 44 . HG1# . . rr_1bbl 1
276 1 . . 1 1 44 44 VAL HA H . . . 1 1 44 44 VAL MG2 H . . . . . 3.0 1.8 4.8 . . . . . A . 44 VAL HA . . A . 44 VAL MG2 . . . 44 . HA . . . . . 44 . HG2# . . rr_1bbl 1
277 1 . . 1 1 45 45 GLU H H . . . 1 1 45 45 GLU HA H . . . . . 4.0 1.8 5.0 . . . . . A . 45 GLU H . . A . 45 GLU HA . . . 45 . HN . . . . . 45 . HA . . rr_1bbl 1
278 1 . . 1 1 45 45 GLU H H . . . 1 1 45 45 GLU HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 45 GLU H . . A . 45 GLU HB3 . . . 45 . HN . . . . . 45 . HB1 . . rr_1bbl 1
279 1 . . 1 1 45 45 GLU H H . . . 1 1 45 45 GLU HB2 H . . . . . 3.0 1.8 3.3 . . . . . A . 45 GLU H . . A . 45 GLU HB2 . . . 45 . HN . . . . . 45 . HB2 . . rr_1bbl 1
280 1 OR . 1 1 45 45 GLU H H . . . 1 1 45 45 GLU HG2 H . . . . . 4.0 1.8 6.0 . . . . . A . 45 GLU H . . A . 45 GLU HG2 . . . 45 . HN . . . . . 45 . HG# . . rr_1bbl 1
280 2 OR . 1 1 45 45 GLU H H . . . 1 1 45 45 GLU HG3 H . . . . . 4.0 1.8 6.0 . . . . . A . 45 GLU H . . A . 45 GLU HG3 . . . 45 . HN . . . . . 45 . HG# . . rr_1bbl 1
281 1 OR . 1 1 45 45 GLU HA H . . . 1 1 45 45 GLU HB3 H . . . . . 3.0 1.8 4.3 . . . . . A . 45 GLU HA . . A . 45 GLU HB3 . . . 45 . HA . . . . . 45 . HB# . . rr_1bbl 1
281 2 OR . 1 1 45 45 GLU HA H . . . 1 1 45 45 GLU HB2 H . . . . . 3.0 1.8 4.3 . . . . . A . 45 GLU HA . . A . 45 GLU HB2 . . . 45 . HA . . . . . 45 . HB# . . rr_1bbl 1
282 1 OR . 1 1 45 45 GLU HA H . . . 1 1 45 45 GLU HG2 H . . . . . 3.0 1.8 4.3 . . . . . A . 45 GLU HA . . A . 45 GLU HG2 . . . 45 . HA . . . . . 45 . HG# . . rr_1bbl 1
282 2 OR . 1 1 45 45 GLU HA H . . . 1 1 45 45 GLU HG3 H . . . . . 3.0 1.8 4.3 . . . . . A . 45 GLU HA . . A . 45 GLU HG3 . . . 45 . HA . . . . . 45 . HG# . . rr_1bbl 1
283 1 . . 1 1 46 46 LYS H H . . . 1 1 46 46 LYS HA H . . . . . 4.0 1.8 5.0 . . . . . A . 46 LYS H . . A . 46 LYS HA . . . 46 . HN . . . . . 46 . HA . . rr_1bbl 1
284 1 OR . 1 1 46 46 LYS H H . . . 1 1 46 46 LYS HB2 H . . . . . 3.0 1.8 4.3 . . . . . A . 46 LYS H . . A . 46 LYS HB2 . . . 46 . HN . . . . . 46 . HB# . . rr_1bbl 1
284 2 OR . 1 1 46 46 LYS H H . . . 1 1 46 46 LYS HB3 H . . . . . 3.0 1.8 4.3 . . . . . A . 46 LYS H . . A . 46 LYS HB3 . . . 46 . HN . . . . . 46 . HB# . . rr_1bbl 1
285 1 . . 1 1 47 47 HIS H H . . . 1 1 47 47 HIS HA H . . . . . 3.0 1.8 3.3 . . . . . A . 47 HIS H . . A . 47 HIS HA . . . 47 . HN . . . . . 47 . HA . . rr_1bbl 1
286 1 . . 1 1 47 47 HIS H H . . . 1 1 47 47 HIS HB3 H . . . . . 3.0 1.8 3.3 . . . . . A . 47 HIS H . . A . 47 HIS HB3 . . . 47 . HN . . . . . 47 . HB1 . . rr_1bbl 1
287 1 . . 1 1 47 47 HIS H H . . . 1 1 47 47 HIS HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 47 HIS H . . A . 47 HIS HB2 . . . 47 . HN . . . . . 47 . HB2 . . rr_1bbl 1
288 1 . . 1 1 47 47 HIS HA H . . . 1 1 47 47 HIS HB3 H . . . . . 3.0 1.8 3.3 . . . . . A . 47 HIS HA . . A . 47 HIS HB3 . . . 47 . HA . . . . . 47 . HB1 . . rr_1bbl 1
289 1 . . 1 1 47 47 HIS HA H . . . 1 1 47 47 HIS HB2 H . . . . . 3.0 1.8 3.3 . . . . . A . 47 HIS HA . . A . 47 HIS HB2 . . . 47 . HA . . . . . 47 . HB2 . . rr_1bbl 1
290 1 . . 1 1 47 47 HIS HA H . . . 1 1 47 47 HIS HD2 H . . . . . 5.0 2.5 6.0 . . . . . A . 47 HIS HA . . A . 47 HIS HD2 . . . 47 . HA . . . . . 47 . HD2 . . rr_1bbl 1
291 1 . . 1 1 47 47 HIS HB3 H . . . 1 1 47 47 HIS HD2 H . . . . . 4.0 1.8 5.0 . . . . . A . 47 HIS HB3 . . A . 47 HIS HD2 . . . 47 . HB1 . . . . . 47 . HD2 . . rr_1bbl 1
292 1 . . 1 1 47 47 HIS HB2 H . . . 1 1 47 47 HIS HD2 H . . . . . 4.0 1.8 5.0 . . . . . A . 47 HIS HB2 . . A . 47 HIS HD2 . . . 47 . HB2 . . . . . 47 . HD2 . . rr_1bbl 1
293 1 . . 1 1 48 48 LEU H H . . . 1 1 48 48 LEU HA H . . . . . 3.0 1.8 3.3 . . . . . A . 48 LEU H . . A . 48 LEU HA . . . 48 . HN . . . . . 48 . HA . . rr_1bbl 1
294 1 . . 1 1 48 48 LEU H H . . . 1 1 48 48 LEU HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 48 LEU H . . A . 48 LEU HB3 . . . 48 . HN . . . . . 48 . HB1 . . rr_1bbl 1
295 1 . . 1 1 48 48 LEU H H . . . 1 1 48 48 LEU HB2 H . . . . . 3.0 1.8 3.3 . . . . . A . 48 LEU H . . A . 48 LEU HB2 . . . 48 . HN . . . . . 48 . HB2 . . rr_1bbl 1
296 1 . . 1 1 48 48 LEU H H . . . 1 1 48 48 LEU HG H . . . . . 4.0 1.8 5.0 . . . . . A . 48 LEU H . . A . 48 LEU HG . . . 48 . HN . . . . . 48 . HG . . rr_1bbl 1
297 1 . . 1 1 48 48 LEU H H . . . 1 1 48 48 LEU MD1 H . . . . . 4.0 1.8 6.5 . . . . . A . 48 LEU H . . A . 48 LEU MD1 . . . 48 . HN . . . . . 48 . HD1# . . rr_1bbl 1
298 1 . . 1 1 48 48 LEU H H . . . 1 1 48 48 LEU MD2 H . . . . . 4.0 1.8 6.5 . . . . . A . 48 LEU H . . A . 48 LEU MD2 . . . 48 . HN . . . . . 48 . HD2# . . rr_1bbl 1
299 1 . . 1 1 48 48 LEU HA H . . . 1 1 48 48 LEU HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 48 LEU HA . . A . 48 LEU HB3 . . . 48 . HA . . . . . 48 . HB1 . . rr_1bbl 1
300 1 . . 1 1 48 48 LEU HA H . . . 1 1 48 48 LEU HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 48 LEU HA . . A . 48 LEU HB2 . . . 48 . HA . . . . . 48 . HB2 . . rr_1bbl 1
301 1 . . 1 1 48 48 LEU HA H . . . 1 1 48 48 LEU HG H . . . . . 4.0 1.8 5.0 . . . . . A . 48 LEU HA . . A . 48 LEU HG . . . 48 . HA . . . . . 48 . HG . . rr_1bbl 1
302 1 . . 1 1 48 48 LEU HA H . . . 1 1 48 48 LEU MD1 H . . . . . 4.0 1.8 6.5 . . . . . A . 48 LEU HA . . A . 48 LEU MD1 . . . 48 . HA . . . . . 48 . HD1# . . rr_1bbl 1
303 1 . . 1 1 48 48 LEU HA H . . . 1 1 48 48 LEU MD2 H . . . . . 2.5 1.8 4.3 . . . . . A . 48 LEU HA . . A . 48 LEU MD2 . . . 48 . HA . . . . . 48 . HD2# . . rr_1bbl 1
304 1 . . 1 1 48 48 LEU HB3 H . . . 1 1 48 48 LEU MD1 H . . . . . 3.0 1.8 4.8 . . . . . A . 48 LEU HB3 . . A . 48 LEU MD1 . . . 48 . HB1 . . . . . 48 . HD1# . . rr_1bbl 1
305 1 . . 1 1 48 48 LEU HB3 H . . . 1 1 48 48 LEU MD2 H . . . . . 3.0 1.8 4.8 . . . . . A . 48 LEU HB3 . . A . 48 LEU MD2 . . . 48 . HB1 . . . . . 48 . HD2# . . rr_1bbl 1
306 1 . . 1 1 48 48 LEU HB2 H . . . 1 1 48 48 LEU MD1 H . . . . . 2.5 1.8 4.3 . . . . . A . 48 LEU HB2 . . A . 48 LEU MD1 . . . 48 . HB2 . . . . . 48 . HD1# . . rr_1bbl 1
307 1 . . 1 1 48 48 LEU HB2 H . . . 1 1 48 48 LEU MD2 H . . . . . 4.0 1.8 6.5 . . . . . A . 48 LEU HB2 . . A . 48 LEU MD2 . . . 48 . HB2 . . . . . 48 . HD2# . . rr_1bbl 1
308 1 . . 1 1 49 49 ALA H H . . . 1 1 49 49 ALA HA H . . . . . 4.0 1.8 5.0 . . . . . . . . . . . . . . . . . . . . 49 . HN . . . . . 49 . HA . . rr_1bbl 1
309 1 . . 1 1 49 49 ALA H H . . . 1 1 49 49 ALA MB H . . . . . 3.0 1.8 4.8 . . . . . . . . . . . . . . . . . . . . 49 . HN . . . . . 49 . HB# . . rr_1bbl 1
310 1 . . 1 1 49 49 ALA HA H . . . 1 1 49 49 ALA MB H . . . . . 3.0 1.8 4.8 . . . . . . . . . . . . . . . . . . . . 49 . HA . . . . . 49 . HB# . . rr_1bbl 1
311 1 . . 1 1 50 50 LYS H H . . . 1 1 50 50 LYS HA H . . . . . 3.0 1.8 3.3 . . . . . . . . . . . . . . . . . . . . 50 . HN . . . . . 50 . HA . . rr_1bbl 1
312 1 OR . 1 1 50 50 LYS H H . . . 1 1 50 50 LYS HB2 H . . . . . 4.0 1.8 6.0 . . . . . . . . . . . . . . . . . . . . 50 . HN . . . . . 50 . HB# . . rr_1bbl 1
312 2 OR . 1 1 50 50 LYS H H . . . 1 1 50 50 LYS HB3 H . . . . . 4.0 1.8 6.0 . . . . . . . . . . . . . . . . . . . . 50 . HN . . . . . 50 . HB# . . rr_1bbl 1
313 1 . . 1 1 51 51 ALA H H . . . 1 1 51 51 ALA HA H . . . . . 3.0 1.8 3.3 . . . . . . . . . . . . . . . . . . . . 51 . HN . . . . . 51 . HA . . rr_1bbl 1
314 1 . . 1 1 51 51 ALA H H . . . 1 1 51 51 ALA MB H . . . . . 3.0 1.8 4.8 . . . . . . . . . . . . . . . . . . . . 51 . HN . . . . . 51 . HB# . . rr_1bbl 1
315 1 . . 1 1 51 51 ALA HA H . . . 1 1 51 51 ALA MB H . . . . . 3.0 1.8 4.8 . . . . . . . . . . . . . . . . . . . . 51 . HA . . . . . 51 . HB# . . rr_1bbl 1
stop_
loop_
_Gen_dist_constraint_comment_org.ID
_Gen_dist_constraint_comment_org.Comment_text
_Gen_dist_constraint_comment_org.Comment_begin_line
_Gen_dist_constraint_comment_org.Comment_begin_column
_Gen_dist_constraint_comment_org.Comment_end_line
_Gen_dist_constraint_comment_org.Comment_end_column
_Gen_dist_constraint_comment_org.Entry_ID
_Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID
1 "! residue 1 TYR" 1 1 1 69 rr_1bbl 1
2 "! residue 2 ALA" 8 1 8 70 rr_1bbl 1
3 "! residue 3 SER" 13 1 13 70 rr_1bbl 1
4 "! residue 4 LEU" 19 1 19 67 rr_1bbl 1
5 "! residue 5 GLU" 29 1 29 78 rr_1bbl 1
6 "! residue 6 GLU" 36 1 36 78 rr_1bbl 1
7 "! residue 7 GLN" 43 1 43 78 rr_1bbl 1
8 "! residue 8 ASN" 52 1 52 75 rr_1bbl 1
9 "! residue 9 ASN" 61 1 61 75 rr_1bbl 1
10 "! residue 10 ASP" 70 1 70 78 rr_1bbl 1
11 "! residue 11 ALA" 75 1 75 71 rr_1bbl 1
12 "! residue 12 LEU" 80 1 80 68 rr_1bbl 1
13 "! residue 13 SER" 91 1 91 71 rr_1bbl 1
14 "! residue 14 PRO" 97 1 97 75 rr_1bbl 1
15 "! residue 15 ALA" 102 1 102 71 rr_1bbl 1
16 "! residue 16 ILEU" 107 1 107 66 rr_1bbl 1
17 "! residue 17 ARG" 121 1 121 81 rr_1bbl 1
18 "! residue 18 ARG" 138 1 138 81 rr_1bbl 1
19 "! residue 19 LEU" 149 1 149 68 rr_1bbl 1
20 "! residue 20 LEU" 163 1 163 68 rr_1bbl 1
21 "! residue 21 ALA" 177 1 177 71 rr_1bbl 1
22 "! residue 22 GLU" 182 1 182 79 rr_1bbl 1
23 "! residue 23 HIS" 191 1 191 69 rr_1bbl 1
24 "! residue 24 ASN" 204 1 204 76 rr_1bbl 1
25 "! residue 25 LEU" 213 1 213 68 rr_1bbl 1
26 "! residue 26 ASP" 229 1 229 78 rr_1bbl 1
27 "! residue 27 ALA" 236 1 236 71 rr_1bbl 1
28 "! residue 28 SER" 241 1 241 71 rr_1bbl 1
29 "! residue 29 ALA" 247 1 247 71 rr_1bbl 1
30 "! residue 30 ILE" 252 1 252 72 rr_1bbl 1
31 "! residue 31 LYS" 265 1 265 75 rr_1bbl 1
32 "! residue 32 GLY" 270 1 270 72 rr_1bbl 1
33 "! residue 33 THR" 273 1 273 75 rr_1bbl 1
34 "! residue 34 GLY" 279 1 279 72 rr_1bbl 1
35 "! residue 35 VAL" 282 1 282 71 rr_1bbl 1
36 "! residue 36 GLY" 291 1 291 72 rr_1bbl 1
37 "! residue 37 GLY" 294 1 294 72 rr_1bbl 1
38 "! residue 38 ARG" 298 1 298 81 rr_1bbl 1
39 "! residue 39 LEU" 308 1 308 72 rr_1bbl 1
40 "! residue 40 THR" 320 1 320 75 rr_1bbl 1
41 "! residue 41 ARG" 327 1 327 81 rr_1bbl 1
42 "! residue 42 GLU" 341 1 341 79 rr_1bbl 1
43 "! residue 43 ASP" 350 1 350 78 rr_1bbl 1
44 "! residue 44 VAL" 356 1 356 71 rr_1bbl 1
45 "! residue 45 GLU" 365 1 365 79 rr_1bbl 1
46 "! residue 46 LYS" 373 1 373 75 rr_1bbl 1
47 "! residue 47 HIS" 377 1 377 69 rr_1bbl 1
48 "! residue 48 LEU" 387 1 387 68 rr_1bbl 1
49 "! residue 49 ALA" 404 1 404 71 rr_1bbl 1
50 "! residue 50 LYS" 409 1 409 75 rr_1bbl 1
51 "! residue 51 ALA" 413 1 413 71 rr_1bbl 1
stop_
save_
save_CNS/XPLOR_distance_constraints_4
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_4
_Gen_dist_constraint_list.Entry_ID rr_1bbl
_Gen_dist_constraint_list.ID 2
_Gen_dist_constraint_list.Constraint_type NOE
_Gen_dist_constraint_list.Details "Generated by Wattos"
_Gen_dist_constraint_list.Constraint_file_ID 1
_Gen_dist_constraint_list.Block_ID 4
loop_
_Gen_dist_constraint_software.Software_ID
_Gen_dist_constraint_software.Software_label
_Gen_dist_constraint_software.Method_ID
_Gen_dist_constraint_software.Method_label
_Gen_dist_constraint_software.Entry_ID
_Gen_dist_constraint_software.Gen_dist_constraint_list_ID
. . . . rr_1bbl 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 16 16 ILE MD H . . . 1 1 40 40 THR HA H . . . . . 3.0 1.8 4.8 . . . . . A . 16 ILE MD . . A . 40 THR HA . . . 16 . HD# . . . . . 40 . HA . . rr_1bbl 2
2 1 . . 1 1 16 16 ILE MD H . . . 1 1 41 41 ARG H H . . . . . 4.0 1.8 6.5 . . . . . A . 16 ILE MD . . A . 41 ARG H . . . 16 . HD# . . . . . 41 . HN . . rr_1bbl 2
3 1 . . 1 1 16 16 ILE HG13 H . . . 1 1 41 41 ARG HA H . . . . . 4.0 1.8 5.0 . . . . . A . 16 ILE HG13 . . A . 41 ARG HA . . . 16 . HG11 . . . . . 41 . HA . . rr_1bbl 2
4 1 . . 1 1 16 16 ILE MD H . . . 1 1 41 41 ARG HA H . . . . . 4.0 1.8 6.5 . . . . . A . 16 ILE MD . . A . 41 ARG HA . . . 16 . HD# . . . . . 41 . HA . . rr_1bbl 2
5 1 . . 1 1 19 19 LEU MD1 H . . . 1 1 48 48 LEU MD1 H . . . . . 3.0 1.8 6.3 . . . . . A . 19 LEU MD1 . . A . 48 LEU MD1 . . . 19 . HD1# . . . . . 48 . HD1# . . rr_1bbl 2
6 1 . . 1 1 19 19 LEU MD2 H . . . 1 1 44 44 VAL MG1 H . . . . . 4.0 1.8 8.0 . . . . . A . 19 LEU MD2 . . A . 44 VAL MG1 . . . 19 . HD2# . . . . . 44 . HG1# . . rr_1bbl 2
7 1 . . 1 1 19 19 LEU MD2 H . . . 1 1 44 44 VAL MG2 H . . . . . 4.0 1.8 8.0 . . . . . A . 19 LEU MD2 . . A . 44 VAL MG2 . . . 19 . HD2# . . . . . 44 . HG2# . . rr_1bbl 2
8 1 . . 1 1 20 20 LEU MD2 H . . . 1 1 44 44 VAL MG2 H . . . . . 3.0 1.8 6.3 . . . . . A . 20 LEU MD2 . . A . 44 VAL MG2 . . . 20 . HD2# . . . . . 44 . HG2# . . rr_1bbl 2
9 1 . . 1 1 23 23 HIS HB3 H . . . 1 1 48 48 LEU MD2 H . . . . . 3.0 1.8 4.8 . . . . . A . 23 HIS HB3 . . A . 48 LEU MD2 . . . 23 . HB1 . . . . . 48 . HD2# . . rr_1bbl 2
10 1 . . 1 1 23 23 HIS HB2 H . . . 1 1 48 48 LEU MD2 H . . . . . 4.0 1.8 6.5 . . . . . A . 23 HIS HB2 . . A . 48 LEU MD2 . . . 23 . HB2 . . . . . 48 . HD2# . . rr_1bbl 2
11 1 . . 1 1 23 23 HIS HD2 H . . . 1 1 48 48 LEU MD1 H . . . . . 4.0 1.8 6.5 . . . . . A . 23 HIS HD2 . . A . 48 LEU MD1 . . . 23 . HD2 . . . . . 48 . HD1# . . rr_1bbl 2
12 1 . . 1 1 23 23 HIS HD2 H . . . 1 1 48 48 LEU MD2 H . . . . . 4.0 1.8 6.5 . . . . . A . 23 HIS HD2 . . A . 48 LEU MD2 . . . 23 . HD2 . . . . . 48 . HD2# . . rr_1bbl 2
13 1 . . 1 1 23 23 HIS HE1 H . . . 1 1 48 48 LEU MD1 H . . . . . 5.0 2.5 7.5 . . . . . A . 23 HIS HE1 . . A . 48 LEU MD1 . . . 23 . HE1 . . . . . 48 . HD1# . . rr_1bbl 2
14 1 . . 1 1 23 23 HIS HE1 H . . . 1 1 48 48 LEU MD2 H . . . . . 4.0 1.8 6.5 . . . . . A . 23 HIS HE1 . . A . 48 LEU MD2 . . . 23 . HE1 . . . . . 48 . HD2# . . rr_1bbl 2
15 1 . . 1 1 25 25 LEU MD1 H . . . 1 1 47 47 HIS HD2 H . . . . . 4.0 1.8 6.5 . . . . . A . 25 LEU MD1 . . A . 47 HIS HD2 . . . 25 . HD1# . . . . . 47 . HD2 . . rr_1bbl 2
16 1 . . 1 1 25 25 LEU MD2 H . . . 1 1 47 47 HIS HD2 H . . . . . 3.0 1.8 4.8 . . . . . A . 25 LEU MD2 . . A . 47 HIS HD2 . . . 25 . HD2# . . . . . 47 . HD2 . . rr_1bbl 2
17 1 . . 1 1 25 25 LEU MD1 H . . . 1 1 47 47 HIS HB3 H . . . . . 5.0 2.5 7.5 . . . . . A . 25 LEU MD1 . . A . 47 HIS HB3 . . . 25 . HD1# . . . . . 47 . HB1 . . rr_1bbl 2
18 1 . . 1 1 27 27 ALA H H . . . 1 1 39 39 LEU MD2 H . . . . . 4.0 1.8 6.5 . . . . . A . 27 ALA H . . A . 39 LEU MD2 . . . 27 . HN . . . . . 39 . HD2# . . rr_1bbl 2
19 1 . . 1 1 29 29 ALA MB H . . . 1 1 47 47 HIS HE1 H . . . . . 5.0 2.5 7.0 . . . . . A . 29 ALA MB . . A . 47 HIS HE1 . . . 29 . HB# . . . . . 47 . HE1 . . rr_1bbl 2
20 1 . . 1 1 30 30 ILE MG H . . . 1 1 43 43 ASP HB3 H . . . . . 3.0 1.8 4.8 . . . . . A . 30 ILE MG . . A . 43 ASP HB3 . . . 30 . HG2# . . . . . 43 . HB1 . . rr_1bbl 2
21 1 . . 1 1 30 30 ILE MG H . . . 1 1 43 43 ASP HB2 H . . . . . 4.0 1.8 6.5 . . . . . A . 30 ILE MG . . A . 43 ASP HB2 . . . 30 . HG2# . . . . . 43 . HB2 . . rr_1bbl 2
22 1 . . 1 1 30 30 ILE HG13 H . . . 1 1 43 43 ASP HB3 H . . . . . 5.0 2.5 6.0 . . . . . A . 30 ILE HG13 . . A . 43 ASP HB3 . . . 30 . HG11 . . . . . 43 . HB1 . . rr_1bbl 2
23 1 . . 1 1 30 30 ILE HG12 H . . . 1 1 44 44 VAL HA H . . . . . 4.0 1.8 5.0 . . . . . A . 30 ILE HG12 . . A . 44 VAL HA . . . 30 . HG12 . . . . . 44 . HA . . rr_1bbl 2
24 1 . . 1 1 30 30 ILE HG13 H . . . 1 1 44 44 VAL HA H . . . . . 3.0 1.8 3.3 . . . . . A . 30 ILE HG13 . . A . 44 VAL HA . . . 30 . HG11 . . . . . 44 . HA . . rr_1bbl 2
25 1 . . 1 1 30 30 ILE HG13 H . . . 1 1 44 44 VAL MG2 H . . . . . 3.0 1.8 4.8 . . . . . A . 30 ILE HG13 . . A . 44 VAL MG2 . . . 30 . HG11 . . . . . 44 . HG2# . . rr_1bbl 2
26 1 . . 1 1 30 30 ILE MG H . . . 1 1 44 44 VAL HA H . . . . . 3.0 1.8 4.8 . . . . . A . 30 ILE MG . . A . 44 VAL HA . . . 30 . HG2# . . . . . 44 . HA . . rr_1bbl 2
27 1 . . 1 1 30 30 ILE HG13 H . . . 1 1 47 47 HIS HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 30 ILE HG13 . . A . 47 HIS HB3 . . . 30 . HG11 . . . . . 47 . HB1 . . rr_1bbl 2
28 1 . . 1 1 30 30 ILE HG13 H . . . 1 1 47 47 HIS HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 30 ILE HG13 . . A . 47 HIS HB2 . . . 30 . HG11 . . . . . 47 . HB2 . . rr_1bbl 2
29 1 . . 1 1 30 30 ILE HG13 H . . . 1 1 47 47 HIS HD2 H . . . . . 4.0 1.8 5.0 . . . . . A . 30 ILE HG13 . . A . 47 HIS HD2 . . . 30 . HG11 . . . . . 47 . HD2 . . rr_1bbl 2
30 1 . . 1 1 30 30 ILE HG13 H . . . 1 1 47 47 HIS HE1 H . . . . . 5.0 2.5 6.0 . . . . . A . 30 ILE HG13 . . A . 47 HIS HE1 . . . 30 . HG11 . . . . . 47 . HE1 . . rr_1bbl 2
31 1 . . 1 1 30 30 ILE MG H . . . 1 1 47 47 HIS HB3 H . . . . . 4.0 1.8 6.5 . . . . . A . 30 ILE MG . . A . 47 HIS HB3 . . . 30 . HG2# . . . . . 47 . HB1 . . rr_1bbl 2
32 1 . . 1 1 30 30 ILE MG H . . . 1 1 47 47 HIS HB2 H . . . . . 4.0 1.8 6.5 . . . . . A . 30 ILE MG . . A . 47 HIS HB2 . . . 30 . HG2# . . . . . 47 . HB2 . . rr_1bbl 2
33 1 . . 1 1 30 30 ILE MG H . . . 1 1 47 47 HIS HE1 H . . . . . 5.0 2.5 7.5 . . . . . A . 30 ILE MG . . A . 47 HIS HE1 . . . 30 . HG2# . . . . . 47 . HE1 . . rr_1bbl 2
34 1 . . 1 1 30 30 ILE MD H . . . 1 1 47 47 HIS HB3 H . . . . . 4.0 1.8 6.5 . . . . . A . 30 ILE MD . . A . 47 HIS HB3 . . . 30 . HD# . . . . . 47 . HB1 . . rr_1bbl 2
35 1 . . 1 1 30 30 ILE MD H . . . 1 1 47 47 HIS HE1 H . . . . . 5.0 2.5 7.5 . . . . . A . 30 ILE MD . . A . 47 HIS HE1 . . . 30 . HD# . . . . . 47 . HE1 . . rr_1bbl 2
36 1 . . 1 1 39 39 LEU HA H . . . 1 1 32 32 GLY HA3 H . . . . . 3.0 1.8 3.3 . . . . . A . 32 GLY HA3 . . A . 39 LEU HA . . . 32 . HA1 . . . . . 39 . HA . . rr_1bbl 2
37 1 . . 1 1 32 32 GLY HA2 H . . . 1 1 39 39 LEU HA H . . . . . 3.0 1.8 3.3 . . . . . A . 32 GLY HA2 . . A . 39 LEU HA . . . 32 . HA2 . . . . . 39 . HA . . rr_1bbl 2
38 1 OR . 1 1 39 39 LEU MD1 H . . . 1 1 32 32 GLY HA3 H . . . . . 4.0 1.8 7.7 . . . . . A . 32 GLY HA3 . . A . 39 LEU MD1 . . . 32 . HA1 . . . . . 39 . HD* . . rr_1bbl 2
38 2 OR . 1 1 32 32 GLY HA3 H . . . 1 1 39 39 LEU MD2 H . . . . . 4.0 1.8 7.7 . . . . . A . 32 GLY HA3 . . A . 39 LEU MD2 . . . 32 . HA1 . . . . . 39 . HD* . . rr_1bbl 2
39 1 . . 1 1 32 32 GLY HA2 H . . . 1 1 39 39 LEU MD1 H . . . . . 4.0 1.8 6.5 . . . . . A . 32 GLY HA2 . . A . 39 LEU MD1 . . . 32 . HA2 . . . . . 39 . HD1# . . rr_1bbl 2
40 1 . . 1 1 32 32 GLY HA2 H . . . 1 1 39 39 LEU MD2 H . . . . . 4.0 1.8 6.5 . . . . . A . 32 GLY HA2 . . A . 39 LEU MD2 . . . 32 . HA2 . . . . . 39 . HD2# . . rr_1bbl 2
41 1 . . 1 1 32 32 GLY HA2 H . . . 1 1 40 40 THR MG H . . . . . 4.0 1.8 6.5 . . . . . A . 32 GLY HA2 . . A . 40 THR MG . . . 32 . HA2 . . . . . 40 . HG2# . . rr_1bbl 2
42 1 . . 1 1 34 34 GLY H H . . . 1 1 40 40 THR MG H . . . . . 3.0 1.8 4.8 . . . . . A . 34 GLY H . . A . 40 THR MG . . . 34 . HN . . . . . 40 . HG2# . . rr_1bbl 2
43 1 . . 1 1 40 40 THR MG H . . . 1 1 34 34 GLY HA3 H . . . . . 3.0 1.8 4.8 . . . . . A . 34 GLY HA3 . . A . 40 THR MG . . . 34 . HA1 . . . . . 40 . HG2# . . rr_1bbl 2
44 1 . . 1 1 34 34 GLY HA2 H . . . 1 1 40 40 THR MG H . . . . . 3.0 1.8 4.8 . . . . . A . 34 GLY HA2 . . A . 40 THR MG . . . 34 . HA2 . . . . . 40 . HG2# . . rr_1bbl 2
stop_
loop_
_Gen_dist_constraint_comment_org.ID
_Gen_dist_constraint_comment_org.Comment_text
_Gen_dist_constraint_comment_org.Comment_begin_line
_Gen_dist_constraint_comment_org.Comment_begin_column
_Gen_dist_constraint_comment_org.Comment_end_line
_Gen_dist_constraint_comment_org.Comment_end_column
_Gen_dist_constraint_comment_org.Entry_ID
_Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID
1 "! residue 16 ILE" 1 1 1 74 rr_1bbl 2
2 "! residue 19 LEU" 7 1 7 68 rr_1bbl 2
3 "! residue 20 LEU" 12 1 12 68 rr_1bbl 2
4 "! residue 23 HIS" 16 1 16 69 rr_1bbl 2
5 "! residue 25 LEU" 24 1 24 68 rr_1bbl 2
6 "! residue 27 ALA" 29 1 29 71 rr_1bbl 2
7 "! residue 29 ALA" 32 1 32 71 rr_1bbl 2
8 "! residue 30 ILE" 35 1 35 76 rr_1bbl 2
9 "! residue 32 GLY" 53 1 53 72 rr_1bbl 2
10 "! residue 34 GLY" 61 1 61 72 rr_1bbl 2
stop_
save_
save_CNS/XPLOR_distance_constraints_6
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_6
_Gen_dist_constraint_list.Entry_ID rr_1bbl
_Gen_dist_constraint_list.ID 3
_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 6
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_1bbl 3
stop_
loop_
_Gen_dist_constraint.ID
_Gen_dist_constraint.Member_ID
_Gen_dist_constraint.Member_logic_code
_Gen_dist_constraint.Assembly_atom_ID_1
_Gen_dist_constraint.Entity_assembly_ID_1
_Gen_dist_constraint.Entity_ID_1
_Gen_dist_constraint.Comp_index_ID_1
_Gen_dist_constraint.Seq_ID_1
_Gen_dist_constraint.Comp_ID_1
_Gen_dist_constraint.Atom_ID_1
_Gen_dist_constraint.Atom_type_1
_Gen_dist_constraint.Atom_isotope_number_1
_Gen_dist_constraint.Resonance_ID_1
_Gen_dist_constraint.Assembly_atom_ID_2
_Gen_dist_constraint.Entity_assembly_ID_2
_Gen_dist_constraint.Entity_ID_2
_Gen_dist_constraint.Comp_index_ID_2
_Gen_dist_constraint.Seq_ID_2
_Gen_dist_constraint.Comp_ID_2
_Gen_dist_constraint.Atom_ID_2
_Gen_dist_constraint.Atom_type_2
_Gen_dist_constraint.Atom_isotope_number_2
_Gen_dist_constraint.Resonance_ID_2
_Gen_dist_constraint.Intensity_val
_Gen_dist_constraint.Intensity_lower_val_err
_Gen_dist_constraint.Intensity_upper_val_err
_Gen_dist_constraint.Distance_val
_Gen_dist_constraint.Distance_lower_bound_val
_Gen_dist_constraint.Distance_upper_bound_val
_Gen_dist_constraint.Contribution_fractional_val
_Gen_dist_constraint.Spectral_peak_ID
_Gen_dist_constraint.Spectral_peak_list_ID
_Gen_dist_constraint.PDB_record_ID_1
_Gen_dist_constraint.PDB_model_num_1
_Gen_dist_constraint.PDB_strand_ID_1
_Gen_dist_constraint.PDB_ins_code_1
_Gen_dist_constraint.PDB_residue_no_1
_Gen_dist_constraint.PDB_residue_name_1
_Gen_dist_constraint.PDB_atom_name_1
_Gen_dist_constraint.PDB_record_ID_2
_Gen_dist_constraint.PDB_model_num_2
_Gen_dist_constraint.PDB_strand_ID_2
_Gen_dist_constraint.PDB_ins_code_2
_Gen_dist_constraint.PDB_residue_no_2
_Gen_dist_constraint.PDB_residue_name_2
_Gen_dist_constraint.PDB_atom_name_2
_Gen_dist_constraint.Auth_entity_assembly_ID_1
_Gen_dist_constraint.Auth_asym_ID_1
_Gen_dist_constraint.Auth_chain_ID_1
_Gen_dist_constraint.Auth_seq_ID_1
_Gen_dist_constraint.Auth_comp_ID_1
_Gen_dist_constraint.Auth_atom_ID_1
_Gen_dist_constraint.Auth_alt_ID_1
_Gen_dist_constraint.Auth_atom_name_1
_Gen_dist_constraint.Auth_entity_assembly_ID_2
_Gen_dist_constraint.Auth_asym_ID_2
_Gen_dist_constraint.Auth_chain_ID_2
_Gen_dist_constraint.Auth_seq_ID_2
_Gen_dist_constraint.Auth_comp_ID_2
_Gen_dist_constraint.Auth_atom_ID_2
_Gen_dist_constraint.Auth_alt_ID_2
_Gen_dist_constraint.Auth_atom_name_2
_Gen_dist_constraint.Entry_ID
_Gen_dist_constraint.Gen_dist_constraint_list_ID
1 1 OR . 1 1 5 5 GLU H H . . . 1 1 3 3 SER HB2 H . . . . . 4.0 1.8 6.0 . . . . . . . . . . . . . . . . . . . . 3 . HB# . . . . . 5 . HN . . rr_1bbl 3
1 2 OR . 1 1 3 3 SER HB3 H . . . 1 1 5 5 GLU H H . . . . . 4.0 1.8 6.0 . . . . . . . . . . . . . . . . . . . . 3 . HB# . . . . . 5 . HN . . rr_1bbl 3
2 1 OR . 1 1 3 3 SER H H . . . 1 1 6 6 GLU HB2 H . . . . . 4.0 1.8 6.0 . . . . . . . . . . . . . . . . . . . . 3 . HN . . . . . 6 . HB# . . rr_1bbl 3
2 2 OR . 1 1 3 3 SER H H . . . 1 1 6 6 GLU HB3 H . . . . . 4.0 1.8 6.0 . . . . . . . . . . . . . . . . . . . . 3 . HN . . . . . 6 . HB# . . rr_1bbl 3
3 1 . . 1 1 12 12 LEU HA H . . . 1 1 16 16 ILE HB H . . . . . 5.0 2.5 6.0 . . . . . A . 12 LEU HA . . A . 16 ILE HB . . . 12 . HA . . . . . 16 . HB . . rr_1bbl 3
4 1 . . 1 1 16 16 ILE HB H . . . 1 1 12 12 LEU HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 12 LEU HB3 . . A . 16 ILE HB . . . 12 . HB1 . . . . . 16 . HB . . rr_1bbl 3
5 1 . . 1 1 13 13 SER HA H . . . 1 1 15 15 ALA H H . . . . . 4.0 1.8 5.0 . . . . . A . 13 SER HA . . A . 15 ALA H . . . 13 . HA . . . . . 15 . HN . . rr_1bbl 3
6 1 . . 1 1 13 13 SER H H . . . 1 1 16 16 ILE HB H . . . . . 4.0 1.8 5.0 . . . . . A . 13 SER H . . A . 16 ILE HB . . . 13 . HN . . . . . 16 . HB . . rr_1bbl 3
7 1 . . 1 1 13 13 SER H H . . . 1 1 16 16 ILE H H . . . . . 4.0 1.8 5.0 . . . . . A . 13 SER H . . A . 16 ILE H . . . 13 . HN . . . . . 16 . HN . . rr_1bbl 3
8 1 . . 1 1 13 13 SER HA H . . . 1 1 16 16 ILE HB H . . . . . 4.0 1.8 5.0 . . . . . A . 13 SER HA . . A . 16 ILE HB . . . 13 . HA . . . . . 16 . HB . . rr_1bbl 3
9 1 . . 1 1 14 14 PRO HA H . . . 1 1 17 17 ARG H H . . . . . 4.0 1.8 5.0 . . . . . A . 14 PRO HA . . A . 17 ARG H . . . 14 . HA . . . . . 17 . HN . . rr_1bbl 3
10 1 . . 1 1 15 15 ALA HA H . . . 1 1 17 17 ARG H H . . . . . 4.0 1.8 5.0 . . . . . A . 15 ALA HA . . A . 17 ARG H . . . 15 . HA . . . . . 17 . HN . . rr_1bbl 3
11 1 . . 1 1 15 15 ALA HA H . . . 1 1 18 18 ARG H H . . . . . 4.0 1.8 5.0 . . . . . A . 15 ALA HA . . A . 18 ARG H . . . 15 . HA . . . . . 18 . HN . . rr_1bbl 3
12 1 . . 1 1 16 16 ILE HA H . . . 1 1 19 19 LEU H H . . . . . 4.0 1.8 5.0 . . . . . A . 16 ILE HA . . A . 19 LEU H . . . 16 . HA . . . . . 19 . HN . . rr_1bbl 3
13 1 . . 1 1 16 16 ILE HA H . . . 1 1 19 19 LEU HB3 H . . . . . 3.0 1.8 3.3 . . . . . A . 16 ILE HA . . A . 19 LEU HB3 . . . 16 . HA . . . . . 19 . HB1 . . rr_1bbl 3
14 1 . . 1 1 16 16 ILE HA H . . . 1 1 19 19 LEU HB2 H . . . . . 3.0 1.8 3.3 . . . . . A . 16 ILE HA . . A . 19 LEU HB2 . . . 16 . HA . . . . . 19 . HB2 . . rr_1bbl 3
15 1 . . 1 1 16 16 ILE HA H . . . 1 1 19 19 LEU MD1 H . . . . . 3.0 1.8 4.8 . . . . . A . 16 ILE HA . . A . 19 LEU MD1 . . . 16 . HA . . . . . 19 . HD1# . . rr_1bbl 3
16 1 . . 1 1 17 17 ARG HA H . . . 1 1 20 20 LEU H H . . . . . 5.0 2.5 6.0 . . . . . A . 17 ARG HA . . A . 20 LEU H . . . 17 . HA . . . . . 20 . HN . . rr_1bbl 3
17 1 OR . 1 1 17 17 ARG HA H . . . 1 1 20 20 LEU HB2 H . . . . . 4.0 1.8 6.0 . . . . . A . 17 ARG HA . . A . 20 LEU HB2 . . . 17 . HA . . . . . 20 . HB# . . rr_1bbl 3
17 2 OR . 1 1 17 17 ARG HA H . . . 1 1 20 20 LEU HB3 H . . . . . 4.0 1.8 6.0 . . . . . A . 17 ARG HA . . A . 20 LEU HB3 . . . 17 . HA . . . . . 20 . HB# . . rr_1bbl 3
18 1 . . 1 1 18 18 ARG HA H . . . 1 1 21 21 ALA H H . . . . . 4.0 1.8 5.0 . . . . . A . 18 ARG HA . . A . 21 ALA H . . . 18 . HA . . . . . 21 . HN . . rr_1bbl 3
19 1 . . 1 1 18 18 ARG HA H . . . 1 1 21 21 ALA MB H . . . . . 3.0 1.8 4.8 . . . . . A . 18 ARG HA . . A . 21 ALA MB . . . 18 . HA . . . . . 21 . HB# . . rr_1bbl 3
20 1 . . 1 1 18 18 ARG HA H . . . 1 1 22 22 GLU H H . . . . . 4.0 1.8 5.0 . . . . . A . 18 ARG HA . . A . 22 GLU H . . . 18 . HA . . . . . 22 . HN . . rr_1bbl 3
21 1 . . 1 1 19 19 LEU H H . . . 1 1 21 21 ALA H H . . . . . 5.0 2.5 6.0 . . . . . A . 19 LEU H . . A . 21 ALA H . . . 19 . HN . . . . . 21 . HN . . rr_1bbl 3
22 1 . . 1 1 19 19 LEU HA H . . . 1 1 22 22 GLU H H . . . . . 4.0 1.8 5.0 . . . . . A . 19 LEU HA . . A . 22 GLU H . . . 19 . HA . . . . . 22 . HN . . rr_1bbl 3
23 1 . . 1 1 19 19 LEU HA H . . . 1 1 22 22 GLU HB3 H . . . . . 3.0 1.8 3.3 . . . . . A . 19 LEU HA . . A . 22 GLU HB3 . . . 19 . HA . . . . . 22 . HB1 . . rr_1bbl 3
24 1 . . 1 1 19 19 LEU HA H . . . 1 1 23 23 HIS HD2 H . . . . . 4.0 1.8 5.0 . . . . . A . 19 LEU HA . . A . 23 HIS HD2 . . . 19 . HA . . . . . 23 . HD2 . . rr_1bbl 3
25 1 . . 1 1 23 23 HIS HD2 H . . . 1 1 19 19 LEU HG H . . . . . 4.0 1.8 5.0 . . . . . A . 19 LEU HG . . A . 23 HIS HD2 . . . 19 . HG . . . . . 23 . HD2 . . rr_1bbl 3
26 1 . . 1 1 19 19 LEU MD1 H . . . 1 1 23 23 HIS HD2 H . . . . . 3.0 1.8 4.8 . . . . . A . 19 LEU MD1 . . A . 23 HIS HD2 . . . 19 . HD1# . . . . . 23 . HD2 . . rr_1bbl 3
27 1 . . 1 1 19 19 LEU MD2 H . . . 1 1 23 23 HIS HD2 H . . . . . 4.0 1.8 6.5 . . . . . A . 19 LEU MD2 . . A . 23 HIS HD2 . . . 19 . HD2# . . . . . 23 . HD2 . . rr_1bbl 3
28 1 . . 1 1 19 19 LEU HA H . . . 1 1 23 23 HIS HE1 H . . . . . 5.0 2.5 6.0 . . . . . A . 19 LEU HA . . A . 23 HIS HE1 . . . 19 . HA . . . . . 23 . HE1 . . rr_1bbl 3
29 1 . . 1 1 23 23 HIS HE1 H . . . 1 1 19 19 LEU HG H . . . . . 5.0 2.5 6.0 . . . . . A . 19 LEU HG . . A . 23 HIS HE1 . . . 19 . HG . . . . . 23 . HE1 . . rr_1bbl 3
30 1 . . 1 1 19 19 LEU MD1 H . . . 1 1 23 23 HIS HE1 H . . . . . 4.0 1.8 6.5 . . . . . A . 19 LEU MD1 . . A . 23 HIS HE1 . . . 19 . HD1# . . . . . 23 . HE1 . . rr_1bbl 3
31 1 . . 1 1 19 19 LEU MD2 H . . . 1 1 23 23 HIS HE1 H . . . . . 5.0 2.5 7.5 . . . . . A . 19 LEU MD2 . . A . 23 HIS HE1 . . . 19 . HD2# . . . . . 23 . HE1 . . rr_1bbl 3
32 1 . . 1 1 20 20 LEU HA H . . . 1 1 23 23 HIS HB3 H . . . . . 5.0 2.5 6.0 . . . . . A . 20 LEU HA . . A . 23 HIS HB3 . . . 20 . HA . . . . . 23 . HB1 . . rr_1bbl 3
33 1 . . 1 1 20 20 LEU HA H . . . 1 1 23 23 HIS HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 20 LEU HA . . A . 23 HIS HB2 . . . 20 . HA . . . . . 23 . HB2 . . rr_1bbl 3
34 1 . . 1 1 20 20 LEU HA H . . . 1 1 23 23 HIS HD2 H . . . . . 5.0 2.5 6.0 . . . . . A . 20 LEU HA . . A . 23 HIS HD2 . . . 20 . HA . . . . . 23 . HD2 . . rr_1bbl 3
35 1 . . 1 1 20 20 LEU HA H . . . 1 1 25 25 LEU MD1 H . . . . . 4.0 1.8 6.5 . . . . . A . 20 LEU HA . . A . 25 LEU MD1 . . . 20 . HA . . . . . 25 . HD1# . . rr_1bbl 3
36 1 . . 1 1 20 20 LEU HA H . . . 1 1 25 25 LEU HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 20 LEU HA . . A . 25 LEU HB2 . . . 20 . HA . . . . . 25 . HB2 . . rr_1bbl 3
37 1 . . 1 1 20 20 LEU MD2 H . . . 1 1 25 25 LEU HB3 H . . . . . 3.0 1.8 4.8 . . . . . A . 20 LEU MD2 . . A . 25 LEU HB3 . . . 20 . HD2# . . . . . 25 . HB1 . . rr_1bbl 3
38 1 . . 1 1 20 20 LEU MD2 H . . . 1 1 25 25 LEU HB2 H . . . . . 3.0 1.8 4.8 . . . . . A . 20 LEU MD2 . . A . 25 LEU HB2 . . . 20 . HD2# . . . . . 25 . HB2 . . rr_1bbl 3
39 1 . . 1 1 21 21 ALA HA H . . . 1 1 24 24 ASN H H . . . . . 5.0 2.5 6.0 . . . . . A . 21 ALA HA . . A . 24 ASN H . . . 21 . HA . . . . . 24 . HN . . rr_1bbl 3
40 1 . . 1 1 22 22 GLU HA H . . . 1 1 24 24 ASN H H . . . . . 5.0 2.5 6.0 . . . . . A . 22 GLU HA . . A . 24 ASN H . . . 22 . HA . . . . . 24 . HN . . rr_1bbl 3
41 1 . . 1 1 23 23 HIS HB3 H . . . 1 1 25 25 LEU HG H . . . . . 4.0 1.8 5.0 . . . . . A . 23 HIS HB3 . . A . 25 LEU HG . . . 23 . HB1 . . . . . 25 . HG . . rr_1bbl 3
42 1 . . 1 1 23 23 HIS HB2 H . . . 1 1 25 25 LEU HG H . . . . . 4.0 1.8 5.0 . . . . . A . 23 HIS HB2 . . A . 25 LEU HG . . . 23 . HB2 . . . . . 25 . HG . . rr_1bbl 3
43 1 . . 1 1 23 23 HIS HB2 H . . . 1 1 25 25 LEU HB2 H . . . . . 5.0 2.5 6.0 . . . . . A . 23 HIS HB2 . . A . 25 LEU HB2 . . . 23 . HB2 . . . . . 25 . HB2 . . rr_1bbl 3
44 1 . . 1 1 23 23 HIS HB3 H . . . 1 1 25 25 LEU MD1 H . . . . . 4.0 1.8 6.5 . . . . . A . 23 HIS HB3 . . A . 25 LEU MD1 . . . 23 . HB1 . . . . . 25 . HD1# . . rr_1bbl 3
45 1 . . 1 1 23 23 HIS HB2 H . . . 1 1 25 25 LEU MD1 H . . . . . 4.0 1.8 6.5 . . . . . A . 23 HIS HB2 . . A . 25 LEU MD1 . . . 23 . HB2 . . . . . 25 . HD1# . . rr_1bbl 3
46 1 . . 1 1 25 25 LEU HB3 H . . . 1 1 30 30 ILE HG13 H . . . . . 4.0 1.8 5.0 . . . . . A . 25 LEU HB3 . . A . 30 ILE HG13 . . . 25 . HB1 . . . . . 30 . HG11 . . rr_1bbl 3
47 1 . . 1 1 25 25 LEU HB3 H . . . 1 1 30 30 ILE HG12 H . . . . . 4.0 1.8 5.0 . . . . . A . 25 LEU HB3 . . A . 30 ILE HG12 . . . 25 . HB1 . . . . . 30 . HG12 . . rr_1bbl 3
48 1 . . 1 1 25 25 LEU HB2 H . . . 1 1 30 30 ILE HG13 H . . . . . 5.0 2.5 6.0 . . . . . A . 25 LEU HB2 . . A . 30 ILE HG13 . . . 25 . HB2 . . . . . 30 . HG11 . . rr_1bbl 3
49 1 . . 1 1 25 25 LEU MD1 H . . . 1 1 30 30 ILE HG13 H . . . . . 4.0 1.8 6.5 . . . . . A . 25 LEU MD1 . . A . 30 ILE HG13 . . . 25 . HD1# . . . . . 30 . HG11 . . rr_1bbl 3
50 1 . . 1 1 26 26 ASP HA H . . . 1 1 28 28 SER H H . . . . . 5.0 2.5 6.0 . . . . . A . 26 ASP HA . . A . 28 SER H . . . 26 . HA . . . . . 28 . HN . . rr_1bbl 3
51 1 OR . 1 1 28 28 SER H H . . . 1 1 26 26 ASP HB3 H . . . . . 5.0 2.5 7.0 . . . . . A . 26 ASP HB3 . . A . 28 SER H . . . 26 . HB# . . . . . 28 . HN . . rr_1bbl 3
51 2 OR . 1 1 28 28 SER H H . . . 1 1 26 26 ASP HB2 H . . . . . 5.0 2.5 7.0 . . . . . A . 26 ASP HB2 . . A . 28 SER H . . . 26 . HB# . . . . . 28 . HN . . rr_1bbl 3
52 1 . . 1 1 29 29 ALA MB H . . . 1 1 26 26 ASP HB3 H . . . . . 4.0 1.8 6.5 . . . . . A . 26 ASP HB3 . . A . 29 ALA MB . . . 26 . HB1 . . . . . 29 . HB# . . rr_1bbl 3
53 1 . . 1 1 29 29 ALA MB H . . . 1 1 26 26 ASP HB2 H . . . . . 4.0 1.8 6.5 . . . . . A . 26 ASP HB2 . . A . 29 ALA MB . . . 26 . HB2 . . . . . 29 . HB# . . rr_1bbl 3
54 1 . . 1 1 27 27 ALA HA H . . . 1 1 29 29 ALA H H . . . . . 5.0 2.5 6.0 . . . . . A . 27 ALA HA . . A . 29 ALA H . . . 27 . HA . . . . . 29 . HN . . rr_1bbl 3
55 1 . . 1 1 27 27 ALA HA H . . . 1 1 30 30 ILE HB H . . . . . 4.0 1.8 5.0 . . . . . A . 27 ALA HA . . A . 30 ILE HB . . . 27 . HA . . . . . 30 . HB . . rr_1bbl 3
56 1 . . 1 1 27 27 ALA HA H . . . 1 1 30 30 ILE HG13 H . . . . . 3.0 1.8 3.3 . . . . . A . 27 ALA HA . . A . 30 ILE HG13 . . . 27 . HA . . . . . 30 . HG11 . . rr_1bbl 3
57 1 . . 1 1 27 27 ALA HA H . . . 1 1 30 30 ILE HG12 H . . . . . 4.0 1.8 5.0 . . . . . A . 27 ALA HA . . A . 30 ILE HG12 . . . 27 . HA . . . . . 30 . HG12 . . rr_1bbl 3
58 1 . . 1 1 27 27 ALA HA H . . . 1 1 30 30 ILE MD H . . . . . 5.0 2.8 7.5 . . . . . A . 27 ALA HA . . A . 30 ILE MD . . . 27 . HA . . . . . 30 . HD# . . rr_1bbl 3
59 1 . . 1 1 27 27 ALA MB H . . . 1 1 30 30 ILE HG13 H . . . . . 5.0 2.5 7.5 . . . . . A . 27 ALA MB . . A . 30 ILE HG13 . . . 27 . HB# . . . . . 30 . HG11 . . rr_1bbl 3
60 1 . . 1 1 28 28 SER H H . . . 1 1 30 30 ILE H H . . . . . 4.0 1.8 5.0 . . . . . A . 28 SER H . . A . 30 ILE H . . . 28 . HN . . . . . 30 . HN . . rr_1bbl 3
61 1 . . 1 1 28 28 SER HA H . . . 1 1 30 30 ILE H H . . . . . 4.0 1.8 5.0 . . . . . A . 28 SER HA . . A . 30 ILE H . . . 28 . HA . . . . . 30 . HN . . rr_1bbl 3
62 1 . . 1 1 32 32 GLY HA2 H . . . 1 1 34 34 GLY H H . . . . . 5.0 2.5 6.0 . . . . . A . 32 GLY HA2 . . A . 34 GLY H . . . 32 . HA2 . . . . . 34 . HN . . rr_1bbl 3
63 1 . . 1 1 33 33 THR HA H . . . 1 1 37 37 GLY HA3 H . . . . . 5.0 2.5 6.0 . . . . . A . 33 THR HA . . A . 37 GLY HA3 . . . 33 . HA . . . . . 37 . HA1 . . rr_1bbl 3
64 1 . . 1 1 33 33 THR HA H . . . 1 1 37 37 GLY HA2 H . . . . . 5.0 2.5 6.0 . . . . . A . 33 THR HA . . A . 37 GLY HA2 . . . 33 . HA . . . . . 37 . HA2 . . rr_1bbl 3
65 1 . . 1 1 33 33 THR H H . . . 1 1 38 38 ARG H H . . . . . 3.5 2.5 23.5 . . . . . A . 33 THR H . . A . 38 ARG H . . . 33 . HN . . . . . 38 . HN . . rr_1bbl 3
66 1 . . 1 1 34 34 GLY H H . . . 1 1 38 38 ARG H H . . . . . 3.5 2.5 23.5 . . . . . A . 34 GLY H . . A . 38 ARG H . . . 34 . HN . . . . . 38 . HN . . rr_1bbl 3
67 1 OR . 1 1 34 34 GLY HA2 H . . . 1 1 38 38 ARG HB3 H . . . . . 4.0 1.8 6.0 . . . . . A . 34 GLY HA2 . . A . 38 ARG HB3 . . . 34 . HA# . . . . . 38 . HB1 . . rr_1bbl 3
67 2 OR . 1 1 34 34 GLY HA3 H . . . 1 1 38 38 ARG HB3 H . . . . . 4.0 1.8 6.0 . . . . . A . 34 GLY HA3 . . A . 38 ARG HB3 . . . 34 . HA# . . . . . 38 . HB1 . . rr_1bbl 3
68 1 OR . 1 1 34 34 GLY HA2 H . . . 1 1 38 38 ARG HB2 H . . . . . 4.0 1.8 6.0 . . . . . A . 34 GLY HA2 . . A . 38 ARG HB2 . . . 34 . HA# . . . . . 38 . HB2 . . rr_1bbl 3
68 2 OR . 1 1 38 38 ARG HB2 H . . . 1 1 34 34 GLY HA3 H . . . . . 4.0 1.8 6.0 . . . . . A . 34 GLY HA3 . . A . 38 ARG HB2 . . . 34 . HA# . . . . . 38 . HB2 . . rr_1bbl 3
69 1 . . 1 1 35 35 VAL H H . . . 1 1 40 40 THR MG H . . . . . 4.0 1.8 6.5 . . . . . A . 35 VAL H . . A . 40 THR MG . . . 35 . HN . . . . . 40 . HG2# . . rr_1bbl 3
70 1 OR . 1 1 35 35 VAL MG1 H . . . 1 1 38 38 ARG HD2 H . . . . . 5.0 2.5 8.5 . . . . . A . 35 VAL MG1 . . A . 38 ARG HD2 . . . 35 . HG1# . . . . . 38 . HD# . . rr_1bbl 3
70 2 OR . 1 1 35 35 VAL MG1 H . . . 1 1 38 38 ARG HD3 H . . . . . 5.0 2.5 8.5 . . . . . A . 35 VAL MG1 . . A . 38 ARG HD3 . . . 35 . HG1# . . . . . 38 . HD# . . rr_1bbl 3
71 1 . . 1 1 39 39 LEU HA H . . . 1 1 43 43 ASP HB2 H . . . . . 5.0 2.5 6.0 . . . . . A . 39 LEU HA . . A . 43 ASP HB2 . . . 39 . HA . . . . . 43 . HB2 . . rr_1bbl 3
72 1 . . 1 1 39 39 LEU MD1 H . . . 1 1 43 43 ASP HB3 H . . . . . 4.0 1.8 6.5 . . . . . A . 39 LEU MD1 . . A . 43 ASP HB3 . . . 39 . HD1# . . . . . 43 . HB1 . . rr_1bbl 3
73 1 . . 1 1 43 43 ASP HB2 H . . . 1 1 39 39 LEU MD1 H . . . . . 4.0 1.8 6.5 . . . . . A . 39 LEU MD1 . . A . 43 ASP HB2 . . . 39 . HD1# . . . . . 43 . HB2 . . rr_1bbl 3
74 1 . . 1 1 39 39 LEU MD2 H . . . 1 1 43 43 ASP HB3 H . . . . . 4.0 1.8 6.5 . . . . . A . 39 LEU MD2 . . A . 43 ASP HB3 . . . 39 . HD2# . . . . . 43 . HB1 . . rr_1bbl 3
75 1 . . 1 1 43 43 ASP HB2 H . . . 1 1 39 39 LEU MD2 H . . . . . 4.0 1.8 6.5 . . . . . A . 39 LEU MD2 . . A . 43 ASP HB2 . . . 39 . HD2# . . . . . 43 . HB2 . . rr_1bbl 3
76 1 . . 1 1 44 44 VAL HB H . . . 1 1 39 39 LEU MD1 H . . . . . 4.0 1.8 6.5 . . . . . A . 39 LEU MD1 . . A . 44 VAL HB . . . 39 . HD1# . . . . . 44 . HB . . rr_1bbl 3
77 1 . . 1 1 40 40 THR HA H . . . 1 1 42 42 GLU H H . . . . . 5.0 2.5 6.0 . . . . . A . 40 THR HA . . A . 42 GLU H . . . 40 . HA . . . . . 42 . HN . . rr_1bbl 3
78 1 . . 1 1 40 40 THR HB H . . . 1 1 42 42 GLU H H . . . . . 4.0 1.8 5.0 . . . . . A . 40 THR HB . . A . 42 GLU H . . . 40 . HB . . . . . 42 . HN . . rr_1bbl 3
79 1 . . 1 1 40 40 THR H H . . . 1 1 43 43 ASP H H . . . . . 5.0 2.5 6.0 . . . . . A . 40 THR H . . A . 43 ASP H . . . 40 . HN . . . . . 43 . HN . . rr_1bbl 3
80 1 . . 1 1 40 40 THR H H . . . 1 1 43 43 ASP HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 40 THR H . . A . 43 ASP HB3 . . . 40 . HN . . . . . 43 . HB1 . . rr_1bbl 3
81 1 . . 1 1 40 40 THR H H . . . 1 1 43 43 ASP HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 40 THR H . . A . 43 ASP HB2 . . . 40 . HN . . . . . 43 . HB2 . . rr_1bbl 3
82 1 . . 1 1 41 41 ARG H H . . . 1 1 43 43 ASP H H . . . . . 5.0 2.5 6.0 . . . . . A . 41 ARG H . . A . 43 ASP H . . . 41 . HN . . . . . 43 . HN . . rr_1bbl 3
83 1 . . 1 1 41 41 ARG HA H . . . 1 1 44 44 VAL H H . . . . . 5.0 2.5 6.0 . . . . . A . 41 ARG HA . . A . 44 VAL H . . . 41 . HA . . . . . 44 . HN . . rr_1bbl 3
84 1 . . 1 1 41 41 ARG HA H . . . 1 1 44 44 VAL HB H . . . . . 4.0 1.8 5.0 . . . . . A . 41 ARG HA . . A . 44 VAL HB . . . 41 . HA . . . . . 44 . HB . . rr_1bbl 3
85 1 . . 1 1 41 41 ARG HA H . . . 1 1 44 44 VAL MG2 H . . . . . 3.0 1.8 4.8 . . . . . A . 41 ARG HA . . A . 44 VAL MG2 . . . 41 . HA . . . . . 44 . HG2# . . rr_1bbl 3
86 1 . . 1 1 42 42 GLU HA H . . . 1 1 44 44 VAL H H . . . . . 4.0 1.8 5.0 . . . . . A . 42 GLU HA . . A . 44 VAL H . . . 42 . HA . . . . . 44 . HN . . rr_1bbl 3
87 1 . . 1 1 42 42 GLU HA H . . . 1 1 45 45 GLU H H . . . . . 4.0 1.8 5.0 . . . . . A . 42 GLU HA . . A . 45 GLU H . . . 42 . HA . . . . . 45 . HN . . rr_1bbl 3
88 1 . . 1 1 43 43 ASP H H . . . 1 1 45 45 GLU H H . . . . . 5.0 2.5 6.0 . . . . . A . 43 ASP H . . A . 45 GLU H . . . 43 . HN . . . . . 45 . HN . . rr_1bbl 3
89 1 . . 1 1 43 43 ASP HA H . . . 1 1 46 46 LYS H H . . . . . 4.0 1.8 5.0 . . . . . A . 43 ASP HA . . A . 46 LYS H . . . 43 . HA . . . . . 46 . HN . . rr_1bbl 3
90 1 OR . 1 1 43 43 ASP HA H . . . 1 1 46 46 LYS HB2 H . . . . . 4.0 1.8 6.0 . . . . . A . 43 ASP HA . . A . 46 LYS HB2 . . . 43 . HA . . . . . 46 . HB# . . rr_1bbl 3
90 2 OR . 1 1 43 43 ASP HA H . . . 1 1 46 46 LYS HB3 H . . . . . 4.0 1.8 6.0 . . . . . A . 43 ASP HA . . A . 46 LYS HB3 . . . 43 . HA . . . . . 46 . HB# . . rr_1bbl 3
91 1 . . 1 1 44 44 VAL HA H . . . 1 1 47 47 HIS H H . . . . . 4.0 1.8 5.0 . . . . . A . 44 VAL HA . . A . 47 HIS H . . . 44 . HA . . . . . 47 . HN . . rr_1bbl 3
92 1 . . 1 1 44 44 VAL HA H . . . 1 1 47 47 HIS HA H . . . . . 5.0 2.5 6.0 . . . . . A . 44 VAL HA . . A . 47 HIS HA . . . 44 . HA . . . . . 47 . HA . . rr_1bbl 3
93 1 . . 1 1 44 44 VAL HA H . . . 1 1 47 47 HIS HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 44 VAL HA . . A . 47 HIS HB3 . . . 44 . HA . . . . . 47 . HB1 . . rr_1bbl 3
94 1 . . 1 1 44 44 VAL HA H . . . 1 1 47 47 HIS HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 44 VAL HA . . A . 47 HIS HB2 . . . 44 . HA . . . . . 47 . HB2 . . rr_1bbl 3
95 1 . . 1 1 44 44 VAL HA H . . . 1 1 47 47 HIS HD2 H . . . . . 5.0 2.5 6.0 . . . . . A . 44 VAL HA . . A . 47 HIS HD2 . . . 44 . HA . . . . . 47 . HD2 . . rr_1bbl 3
96 1 . . 1 1 44 44 VAL MG1 H . . . 1 1 48 48 LEU MD1 H . . . . . 3.0 1.8 6.3 . . . . . A . 44 VAL MG1 . . A . 48 LEU MD1 . . . 44 . HG1# . . . . . 48 . HD1# . . rr_1bbl 3
97 1 . . 1 1 45 45 GLU HA H . . . 1 1 48 48 LEU H H . . . . . 4.0 1.8 5.0 . . . . . A . 45 GLU HA . . A . 48 LEU H . . . 45 . HA . . . . . 48 . HN . . rr_1bbl 3
98 1 . . 1 1 45 45 GLU HA H . . . 1 1 48 48 LEU HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 45 GLU HA . . A . 48 LEU HB2 . . . 45 . HA . . . . . 48 . HB2 . . rr_1bbl 3
99 1 . . 1 1 45 45 GLU HA H . . . 1 1 48 48 LEU HG H . . . . . 5.0 2.5 6.0 . . . . . A . 45 GLU HA . . A . 48 LEU HG . . . 45 . HA . . . . . 48 . HG . . rr_1bbl 3
100 1 . . 1 1 45 45 GLU HA H . . . 1 1 48 48 LEU MD1 H . . . . . 3.0 1.8 4.8 . . . . . A . 45 GLU HA . . A . 48 LEU MD1 . . . 45 . HA . . . . . 48 . HD1# . . rr_1bbl 3
101 1 OR . 1 1 48 48 LEU MD1 H . . . 1 1 45 45 GLU HG2 H . . . . . 4.0 1.8 7.5 . . . . . A . 45 GLU HG2 . . A . 48 LEU MD1 . . . 45 . HG# . . . . . 48 . HD1# . . rr_1bbl 3
101 2 OR . 1 1 45 45 GLU HG3 H . . . 1 1 48 48 LEU MD1 H . . . . . 4.0 1.8 7.5 . . . . . A . 45 GLU HG3 . . A . 48 LEU MD1 . . . 45 . HG# . . . . . 48 . HD1# . . rr_1bbl 3
102 1 . . 1 1 46 46 LYS H H . . . 1 1 48 48 LEU H H . . . . . 5.0 2.5 6.0 . . . . . A . 46 LYS H . . A . 48 LEU H . . . 46 . HN . . . . . 48 . HN . . rr_1bbl 3
stop_
loop_
_Gen_dist_constraint_comment_org.ID
_Gen_dist_constraint_comment_org.Comment_text
_Gen_dist_constraint_comment_org.Comment_begin_line
_Gen_dist_constraint_comment_org.Comment_begin_column
_Gen_dist_constraint_comment_org.Comment_end_line
_Gen_dist_constraint_comment_org.Comment_end_column
_Gen_dist_constraint_comment_org.Entry_ID
_Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID
1 "! residue 3 SER" 1 1 1 70 rr_1bbl 3
2 "! residue 12 LEU" 5 1 5 68 rr_1bbl 3
3 "! residue 13 SER" 9 1 9 71 rr_1bbl 3
4 "! residue 14 PRO" 15 1 15 75 rr_1bbl 3
5 "! residue 15 ALA" 18 1 18 71 rr_1bbl 3
6 "! residue 16 ILE" 22 1 22 74 rr_1bbl 3
7 "! residue 17 ARG" 28 1 28 81 rr_1bbl 3
8 "! residue 18 ARG" 32 1 32 81 rr_1bbl 3
9 "! residue 19 LEU" 37 1 37 68 rr_1bbl 3
10 "! residue 20 LEU" 50 1 50 68 rr_1bbl 3
11 "! residue 21 ALA" 59 1 59 71 rr_1bbl 3
12 "! residue 22 GLU" 62 1 62 79 rr_1bbl 3
13 "! residue 23 HIS" 65 1 65 69 rr_1bbl 3
14 "! residue 25 LEU" 72 1 72 68 rr_1bbl 3
15 "! residue 26 ASP" 78 1 78 78 rr_1bbl 3
16 "! residue 27 ALA" 84 1 84 71 rr_1bbl 3
17 "! residue 28 SER" 92 1 92 71 rr_1bbl 3
18 "! residue 32 GLY" 96 1 96 72 rr_1bbl 3
19 "! residue 33 THR" 99 1 99 75 rr_1bbl 3
20 "! residue 34 GLY" 104 1 104 72 rr_1bbl 3
21 "! residue 35 VAL" 109 1 109 71 rr_1bbl 3
22 "! residue 39 LEU" 113 1 113 72 rr_1bbl 3
23 "! residue 40 THR" 121 1 121 75 rr_1bbl 3
24 "! residue 41 ARG" 128 1 128 81 rr_1bbl 3
25 "! residue 42 GLU" 134 1 134 79 rr_1bbl 3
26 "! residue 43 ASP" 138 1 138 78 rr_1bbl 3
27 "! residue 44 VAL" 143 1 143 71 rr_1bbl 3
28 "! residue 45 GLU" 151 1 151 79 rr_1bbl 3
29 "! residue 46 LYS" 158 1 158 75 rr_1bbl 3
stop_
save_
save_CNS/XPLOR_distance_constraints_8
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_8
_Gen_dist_constraint_list.Entry_ID rr_1bbl
_Gen_dist_constraint_list.ID 4
_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 8
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_1bbl 4
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 TYR HA H . . . 1 1 2 2 ALA H H . . . . . 3.0 1.8 3.3 . . . . . . . . . . . . . . . . . . . . 1 . HA . . . . . 2 . HN . . rr_1bbl 4
2 1 OR . 1 1 2 2 ALA H H . . . 1 1 1 1 TYR HB3 H . . . . . 4.0 1.8 6.0 . . . . . . . . . . . . . . . . . . . . 1 . HB# . . . . . 2 . HN . . rr_1bbl 4
2 2 OR . 1 1 2 2 ALA H H . . . 1 1 1 1 TYR HB2 H . . . . . 4.0 1.8 6.0 . . . . . . . . . . . . . . . . . . . . 1 . HB# . . . . . 2 . HN . . rr_1bbl 4
3 1 . . 1 1 1 1 TYR QD H . . . 1 1 2 2 ALA H H . . . . . 5.0 2.5 8.0 . . . . . . . . . . . . . . . . . . . . 1 . HD# . . . . . 2 . HN . . rr_1bbl 4
4 1 . . 1 1 2 2 ALA H H . . . 1 1 3 3 SER H H . . . . . 4.0 1.8 5.0 . . . . . . . . . . . . . . . . . . . . 2 . HN . . . . . 3 . HN . . rr_1bbl 4
5 1 . . 1 1 2 2 ALA HA H . . . 1 1 3 3 SER H H . . . . . 3.0 1.8 3.3 . . . . . . . . . . . . . . . . . . . . 2 . HA . . . . . 3 . HN . . rr_1bbl 4
6 1 . . 1 1 2 2 ALA MB H . . . 1 1 3 3 SER H H . . . . . 4.0 1.8 6.5 . . . . . . . . . . . . . . . . . . . . 2 . HB# . . . . . 3 . HN . . rr_1bbl 4
7 1 . . 1 1 3 3 SER HA H . . . 1 1 4 4 LEU H H . . . . . 3.0 1.8 3.3 . . . . . . . . . . . . . . . . . . . . 3 . HA . . . . . 4 . HN . . rr_1bbl 4
8 1 OR . 1 1 4 4 LEU H H . . . 1 1 3 3 SER HB2 H . . . . . 4.0 1.8 6.0 . . . . . . . . . . . . . . . . . . . . 3 . HB# . . . . . 4 . HN . . rr_1bbl 4
8 2 OR . 1 1 3 3 SER HB3 H . . . 1 1 4 4 LEU H H . . . . . 4.0 1.8 6.0 . . . . . . . . . . . . . . . . . . . . 3 . HB# . . . . . 4 . HN . . rr_1bbl 4
9 1 . . 1 1 4 4 LEU H H . . . 1 1 5 5 GLU H H . . . . . 4.0 1.8 5.0 . . . . . . . . . . . . . . . . . . . . 4 . HN . . . . . 5 . HN . . rr_1bbl 4
10 1 . . 1 1 4 4 LEU HA H . . . 1 1 5 5 GLU H H . . . . . 4.0 1.8 5.0 . . . . . . . . . . . . . . . . . . . . 4 . HA . . . . . 5 . HN . . rr_1bbl 4
11 1 OR . 1 1 5 5 GLU H H . . . 1 1 4 4 LEU HB2 H . . . . . 4.0 1.8 6.0 . . . . . . . . . . . . . . . . . . . . 4 . HB# . . . . . 5 . HN . . rr_1bbl 4
11 2 OR . 1 1 4 4 LEU HB3 H . . . 1 1 5 5 GLU H H . . . . . 4.0 1.8 6.0 . . . . . . . . . . . . . . . . . . . . 4 . HB# . . . . . 5 . HN . . rr_1bbl 4
12 1 . . 1 1 5 5 GLU H H . . . 1 1 6 6 GLU H H . . . . . 4.0 1.8 5.0 . . . . . . . . . . . . . . . . . . . . 5 . HN . . . . . 6 . HN . . rr_1bbl 4
13 1 . . 1 1 6 6 GLU HA H . . . 1 1 7 7 GLN H H . . . . . 4.0 1.8 5.0 . . . . . . . . . . . . . . . . . . . . 6 . HA . . . . . 7 . HN . . rr_1bbl 4
14 1 . . 1 1 7 7 GLN H H . . . 1 1 8 8 ASN H H . . . . . 4.0 1.8 5.0 . . . . . . . . . . . . . . . . . . . . 7 . HN . . . . . 8 . HN . . rr_1bbl 4
15 1 . . 1 1 7 7 GLN HA H . . . 1 1 8 8 ASN H H . . . . . 3.0 1.8 3.3 . . . . . . . . . . . . . . . . . . . . 7 . HA . . . . . 8 . HN . . rr_1bbl 4
16 1 OR . 1 1 8 8 ASN H H . . . 1 1 7 7 GLN HB3 H . . . . . 4.0 1.8 6.0 . . . . . . . . . . . . . . . . . . . . 7 . HB# . . . . . 8 . HN . . rr_1bbl 4
16 2 OR . 1 1 7 7 GLN HB2 H . . . 1 1 8 8 ASN H H . . . . . 4.0 1.8 6.0 . . . . . . . . . . . . . . . . . . . . 7 . HB# . . . . . 8 . HN . . rr_1bbl 4
17 1 . . 1 1 9 9 ASN H H . . . 1 1 10 10 ASP H H . . . . . 4.0 1.8 5.0 . . . . . . . . . . . . . . . . . . . . 9 . HN . . . . . 10 . HN . . rr_1bbl 4
18 1 . . 1 1 9 9 ASN HA H . . . 1 1 10 10 ASP H H . . . . . 4.0 1.8 5.0 . . . . . . . . . . . . . . . . . . . . 9 . HA . . . . . 10 . HN . . rr_1bbl 4
19 1 OR . 1 1 10 10 ASP H H . . . 1 1 9 9 ASN HB3 H . . . . . 4.0 1.8 6.0 . . . . . . . . . . . . . . . . . . . . 9 . HB# . . . . . 10 . HN . . rr_1bbl 4
19 2 OR . 1 1 9 9 ASN HB2 H . . . 1 1 10 10 ASP H H . . . . . 4.0 1.8 6.0 . . . . . . . . . . . . . . . . . . . . 9 . HB# . . . . . 10 . HN . . rr_1bbl 4
20 1 . . 1 1 10 10 ASP H H . . . 1 1 11 11 ALA H H . . . . . 4.0 1.8 5.0 . . . . . . . . . . . . . . . . . . . . 10 . HN . . . . . 11 . HN . . rr_1bbl 4
21 1 . . 1 1 10 10 ASP HA H . . . 1 1 11 11 ALA H H . . . . . 3.0 1.8 3.3 . . . . . . . . . . . . . . . . . . . . 10 . HA . . . . . 11 . HN . . rr_1bbl 4
22 1 OR . 1 1 11 11 ALA H H . . . 1 1 10 10 ASP HB2 H . . . . . 4.0 1.8 6.0 . . . . . . . . . . . . . . . . . . . . 10 . HB# . . . . . 11 . HN . . rr_1bbl 4
22 2 OR . 1 1 10 10 ASP HB3 H . . . 1 1 11 11 ALA H H . . . . . 4.0 1.8 6.0 . . . . . . . . . . . . . . . . . . . . 10 . HB# . . . . . 11 . HN . . rr_1bbl 4
23 1 . . 1 1 11 11 ALA H H . . . 1 1 12 12 LEU H H . . . . . 5.0 2.5 6.0 . . . . . . . . . . . . A . 12 LEU H . . . 11 . HN . . . . . 12 . HN . . rr_1bbl 4
24 1 . . 1 1 11 11 ALA MB H . . . 1 1 12 12 LEU H H . . . . . 3.0 1.8 4.8 . . . . . . . . . . . . A . 12 LEU H . . . 11 . HB# . . . . . 12 . HN . . rr_1bbl 4
25 1 . . 1 1 11 11 ALA HA H . . . 1 1 12 12 LEU H H . . . . . 4.0 1.8 5.0 . . . . . . . . . . . . A . 12 LEU H . . . 11 . HA . . . . . 12 . HN . . rr_1bbl 4
26 1 . . 1 1 12 12 LEU HA H . . . 1 1 13 13 SER H H . . . . . 2.5 1.8 2.8 . . . . . A . 12 LEU HA . . A . 13 SER H . . . 12 . HA . . . . . 13 . HN . . rr_1bbl 4
27 1 OR . 1 1 13 13 SER H H . . . 1 1 12 12 LEU HB2 H . . . . . 4.0 1.8 6.0 . . . . . A . 12 LEU HB2 . . A . 13 SER H . . . 12 . HB# . . . . . 13 . HN . . rr_1bbl 4
27 2 OR . 1 1 13 13 SER H H . . . 1 1 12 12 LEU HB3 H . . . . . 4.0 1.8 6.0 . . . . . A . 12 LEU HB3 . . A . 13 SER H . . . 12 . HB# . . . . . 13 . HN . . rr_1bbl 4
28 1 OR . 1 1 13 13 SER H H . . . 1 1 12 12 LEU MD1 H . . . . . 3.0 1.8 5.7 . . . . . A . 12 LEU MD1 . . A . 13 SER H . . . 12 . HD* . . . . . 13 . HN . . rr_1bbl 4
28 2 OR . 1 1 12 12 LEU MD2 H . . . 1 1 13 13 SER H H . . . . . 3.0 1.8 5.7 . . . . . A . 12 LEU MD2 . . A . 13 SER H . . . 12 . HD* . . . . . 13 . HN . . rr_1bbl 4
29 1 . . 1 1 13 13 SER H H . . . 1 1 14 14 PRO HD3 H . . . . . 3.5 2.5 23.5 . . . . . A . 13 SER H . . A . 14 PRO HD3 . . . 13 . HN . . . . . 14 . HD1 . . rr_1bbl 4
30 1 . . 1 1 13 13 SER H H . . . 1 1 14 14 PRO HD2 H . . . . . 3.5 2.5 23.5 . . . . . A . 13 SER H . . A . 14 PRO HD2 . . . 13 . HN . . . . . 14 . HD2 . . rr_1bbl 4
31 1 . . 1 1 13 13 SER HA H . . . 1 1 14 14 PRO HB3 H . . . . . 5.0 2.5 6.0 . . . . . A . 13 SER HA . . A . 14 PRO HB3 . . . 13 . HA . . . . . 14 . HB1 . . rr_1bbl 4
32 1 OR . 1 1 13 13 SER HA H . . . 1 1 14 14 PRO HG2 H . . . . . 4.0 1.8 6.0 . . . . . A . 13 SER HA . . A . 14 PRO HG2 . . . 13 . HA . . . . . 14 . HG# . . rr_1bbl 4
32 2 OR . 1 1 13 13 SER HA H . . . 1 1 14 14 PRO HG3 H . . . . . 4.0 1.8 6.0 . . . . . A . 13 SER HA . . A . 14 PRO HG3 . . . 13 . HA . . . . . 14 . HG# . . rr_1bbl 4
33 1 OR . 1 1 13 13 SER HA H . . . 1 1 14 14 PRO HD3 H . . . . . 3.0 1.8 4.3 . . . . . A . 13 SER HA . . A . 14 PRO HD3 . . . 13 . HA . . . . . 14 . HD# . . rr_1bbl 4
33 2 OR . 1 1 13 13 SER HA H . . . 1 1 14 14 PRO HD2 H . . . . . 3.0 1.8 4.3 . . . . . A . 13 SER HA . . A . 14 PRO HD2 . . . 13 . HA . . . . . 14 . HD# . . rr_1bbl 4
34 1 OR . 1 1 13 13 SER HB2 H . . . 1 1 14 14 PRO HD3 H . . . . . 3.0 1.8 5.3 . . . . . A . 13 SER HB2 . . A . 14 PRO HD3 . . . 13 . HB# . . . . . 14 . HD# . . rr_1bbl 4
34 2 OR . 1 1 13 13 SER HB3 H . . . 1 1 14 14 PRO HD3 H . . . . . 3.0 1.8 5.3 . . . . . A . 13 SER HB3 . . A . 14 PRO HD3 . . . 13 . HB# . . . . . 14 . HD# . . rr_1bbl 4
34 3 OR . 1 1 14 14 PRO HD2 H . . . 1 1 13 13 SER HB2 H . . . . . 3.0 1.8 5.3 . . . . . A . 13 SER HB2 . . A . 14 PRO HD2 . . . 13 . HB# . . . . . 14 . HD# . . rr_1bbl 4
34 4 OR . 1 1 13 13 SER HB3 H . . . 1 1 14 14 PRO HD2 H . . . . . 3.0 1.8 5.3 . . . . . A . 13 SER HB3 . . A . 14 PRO HD2 . . . 13 . HB# . . . . . 14 . HD# . . rr_1bbl 4
35 1 . . 1 1 14 14 PRO HA H . . . 1 1 15 15 ALA H H . . . . . 4.0 1.8 5.0 . . . . . A . 14 PRO HA . . A . 15 ALA H . . . 14 . HA . . . . . 15 . HN . . rr_1bbl 4
36 1 . . 1 1 14 14 PRO HB3 H . . . 1 1 15 15 ALA H H . . . . . 4.0 1.8 5.0 . . . . . A . 14 PRO HB3 . . A . 15 ALA H . . . 14 . HB1 . . . . . 15 . HN . . rr_1bbl 4
37 1 . . 1 1 15 15 ALA H H . . . 1 1 14 14 PRO HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 14 PRO HB2 . . A . 15 ALA H . . . 14 . HB2 . . . . . 15 . HN . . rr_1bbl 4
38 1 OR . 1 1 15 15 ALA H H . . . 1 1 14 14 PRO HG2 H . . . . . 5.0 2.5 7.0 . . . . . A . 14 PRO HG2 . . A . 15 ALA H . . . 14 . HG# . . . . . 15 . HN . . rr_1bbl 4
38 2 OR . 1 1 14 14 PRO HG3 H . . . 1 1 15 15 ALA H H . . . . . 5.0 2.5 7.0 . . . . . A . 14 PRO HG3 . . A . 15 ALA H . . . 14 . HG# . . . . . 15 . HN . . rr_1bbl 4
39 1 OR . 1 1 15 15 ALA H H . . . 1 1 14 14 PRO HD3 H . . . . . 4.0 1.8 6.0 . . . . . A . 14 PRO HD3 . . A . 15 ALA H . . . 14 . HD# . . . . . 15 . HN . . rr_1bbl 4
39 2 OR . 1 1 14 14 PRO HD2 H . . . 1 1 15 15 ALA H H . . . . . 4.0 1.8 6.0 . . . . . A . 14 PRO HD2 . . A . 15 ALA H . . . 14 . HD# . . . . . 15 . HN . . rr_1bbl 4
40 1 . . 1 1 15 15 ALA H H . . . 1 1 16 16 ILE H H . . . . . 2.5 1.8 2.8 . . . . . A . 15 ALA H . . A . 16 ILE H . . . 15 . HN . . . . . 16 . HN . . rr_1bbl 4
41 1 . . 1 1 15 15 ALA HA H . . . 1 1 16 16 ILE H H . . . . . 4.0 1.8 5.0 . . . . . A . 15 ALA HA . . A . 16 ILE H . . . 15 . HA . . . . . 16 . HN . . rr_1bbl 4
42 1 . . 1 1 15 15 ALA MB H . . . 1 1 16 16 ILE H H . . . . . 4.0 1.8 6.5 . . . . . A . 15 ALA MB . . A . 16 ILE H . . . 15 . HB# . . . . . 16 . HN . . rr_1bbl 4
43 1 . . 1 1 16 16 ILE H H . . . 1 1 17 17 ARG H H . . . . . 2.5 1.8 2.8 . . . . . A . 16 ILE H . . A . 17 ARG H . . . 16 . HN . . . . . 17 . HN . . rr_1bbl 4
44 1 . . 1 1 16 16 ILE HA H . . . 1 1 17 17 ARG H H . . . . . 4.0 1.8 5.0 . . . . . A . 16 ILE HA . . A . 17 ARG H . . . 16 . HA . . . . . 17 . HN . . rr_1bbl 4
45 1 . . 1 1 16 16 ILE HB H . . . 1 1 17 17 ARG H H . . . . . 4.0 1.8 5.0 . . . . . A . 16 ILE HB . . A . 17 ARG H . . . 16 . HB . . . . . 17 . HN . . rr_1bbl 4
46 1 . . 1 1 16 16 ILE MG H . . . 1 1 17 17 ARG H H . . . . . 4.0 1.8 6.5 . . . . . A . 16 ILE MG . . A . 17 ARG H . . . 16 . HG2# . . . . . 17 . HN . . rr_1bbl 4
47 1 . . 1 1 16 16 ILE MG H . . . 1 1 17 17 ARG HA H . . . . . 4.0 1.8 6.5 . . . . . A . 16 ILE MG . . A . 17 ARG HA . . . 16 . HG2# . . . . . 17 . HA . . rr_1bbl 4
48 1 . . 1 1 16 16 ILE MG H . . . 1 1 17 17 ARG HE H . . . . . 5.0 2.5 7.5 . . . . . A . 16 ILE MG . . A . 17 ARG HE . . . 16 . HG2# . . . . . 17 . HE . . rr_1bbl 4
49 1 . . 1 1 17 17 ARG H H . . . 1 1 18 18 ARG H H . . . . . 2.5 1.8 2.8 . . . . . A . 17 ARG H . . A . 18 ARG H . . . 17 . HN . . . . . 18 . HN . . rr_1bbl 4
50 1 . . 1 1 17 17 ARG HA H . . . 1 1 18 18 ARG H H . . . . . 4.0 1.8 5.0 . . . . . A . 17 ARG HA . . A . 18 ARG H . . . 17 . HA . . . . . 18 . HN . . rr_1bbl 4
51 1 . . 1 1 18 18 ARG H H . . . 1 1 19 19 LEU H H . . . . . 2.5 1.8 2.8 . . . . . A . 18 ARG H . . A . 19 LEU H . . . 18 . HN . . . . . 19 . HN . . rr_1bbl 4
52 1 . . 1 1 18 18 ARG HA H . . . 1 1 19 19 LEU H H . . . . . 4.0 1.8 5.0 . . . . . A . 18 ARG HA . . A . 19 LEU H . . . 18 . HA . . . . . 19 . HN . . rr_1bbl 4
53 1 . . 1 1 18 18 ARG HB2 H . . . 1 1 19 19 LEU H H . . . . . 4.0 1.8 5.0 . . . . . A . 18 ARG HB2 . . A . 19 LEU H . . . 18 . HB2 . . . . . 19 . HN . . rr_1bbl 4
54 1 . . 1 1 19 19 LEU H H . . . 1 1 20 20 LEU H H . . . . . 2.5 1.8 2.8 . . . . . A . 19 LEU H . . A . 20 LEU H . . . 19 . HN . . . . . 20 . HN . . rr_1bbl 4
55 1 . . 1 1 19 19 LEU HA H . . . 1 1 20 20 LEU H H . . . . . 4.0 1.8 5.0 . . . . . A . 19 LEU HA . . A . 20 LEU H . . . 19 . HA . . . . . 20 . HN . . rr_1bbl 4
56 1 . . 1 1 19 19 LEU MD1 H . . . 1 1 20 20 LEU H H . . . . . 5.0 2.5 7.5 . . . . . A . 19 LEU MD1 . . A . 20 LEU H . . . 19 . HD1# . . . . . 20 . HN . . rr_1bbl 4
57 1 . . 1 1 20 20 LEU H H . . . 1 1 21 21 ALA H H . . . . . 3.0 1.8 3.3 . . . . . A . 20 LEU H . . A . 21 ALA H . . . 20 . HN . . . . . 21 . HN . . rr_1bbl 4
58 1 OR . 1 1 21 21 ALA H H . . . 1 1 20 20 LEU HB2 H . . . . . 3.0 1.8 4.8 . . . . . A . 20 LEU HB2 . . A . 21 ALA H . . . 20 . HB# . . . . . 21 . HN . . rr_1bbl 4
58 2 OR . 1 1 20 20 LEU HB3 H . . . 1 1 21 21 ALA H H . . . . . 3.0 1.8 4.8 . . . . . A . 20 LEU HB3 . . A . 21 ALA H . . . 20 . HB# . . . . . 21 . HN . . rr_1bbl 4
59 1 . . 1 1 20 20 LEU HA H . . . 1 1 21 21 ALA H H . . . . . 4.0 1.8 5.0 . . . . . A . 20 LEU HA . . A . 21 ALA H . . . 20 . HA . . . . . 21 . HN . . rr_1bbl 4
60 1 . . 1 1 21 21 ALA H H . . . 1 1 22 22 GLU H H . . . . . 2.5 1.8 2.8 . . . . . A . 21 ALA H . . A . 22 GLU H . . . 21 . HN . . . . . 22 . HN . . rr_1bbl 4
61 1 . . 1 1 21 21 ALA MB H . . . 1 1 22 22 GLU H H . . . . . 3.0 1.8 4.8 . . . . . A . 21 ALA MB . . A . 22 GLU H . . . 21 . HB# . . . . . 22 . HN . . rr_1bbl 4
62 1 . . 1 1 21 21 ALA MB H . . . 1 1 22 22 GLU HA H . . . . . 4.0 1.8 6.5 . . . . . A . 21 ALA MB . . A . 22 GLU HA . . . 21 . HB# . . . . . 22 . HA . . rr_1bbl 4
63 1 . . 1 1 22 22 GLU H H . . . 1 1 23 23 HIS H H . . . . . 3.0 1.8 3.3 . . . . . A . 22 GLU H . . A . 23 HIS H . . . 22 . HN . . . . . 23 . HN . . rr_1bbl 4
64 1 . . 1 1 22 22 GLU H H . . . 1 1 23 23 HIS HD2 H . . . . . 5.0 2.5 6.0 . . . . . A . 22 GLU H . . A . 23 HIS HD2 . . . 22 . HN . . . . . 23 . HD2 . . rr_1bbl 4
65 1 . . 1 1 22 22 GLU HA H . . . 1 1 23 23 HIS H H . . . . . 4.0 1.8 5.0 . . . . . A . 22 GLU HA . . A . 23 HIS H . . . 22 . HA . . . . . 23 . HN . . rr_1bbl 4
66 1 . . 1 1 22 22 GLU HB3 H . . . 1 1 23 23 HIS H H . . . . . 5.0 2.5 6.0 . . . . . A . 22 GLU HB3 . . A . 23 HIS H . . . 22 . HB1 . . . . . 23 . HN . . rr_1bbl 4
67 1 . . 1 1 22 22 GLU HB3 H . . . 1 1 23 23 HIS HD2 H . . . . . 4.0 1.8 5.0 . . . . . A . 22 GLU HB3 . . A . 23 HIS HD2 . . . 22 . HB1 . . . . . 23 . HD2 . . rr_1bbl 4
68 1 . . 1 1 22 22 GLU HB2 H . . . 1 1 23 23 HIS HD2 H . . . . . 5.0 2.5 6.0 . . . . . A . 22 GLU HB2 . . A . 23 HIS HD2 . . . 22 . HB2 . . . . . 23 . HD2 . . rr_1bbl 4
69 1 OR . 1 1 23 23 HIS HD2 H . . . 1 1 22 22 GLU HG2 H . . . . . 5.0 2.5 7.0 . . . . . A . 22 GLU HG2 . . A . 23 HIS HD2 . . . 22 . HG# . . . . . 23 . HD2 . . rr_1bbl 4
69 2 OR . 1 1 22 22 GLU HG3 H . . . 1 1 23 23 HIS HD2 H . . . . . 5.0 2.5 7.0 . . . . . A . 22 GLU HG3 . . A . 23 HIS HD2 . . . 22 . HG# . . . . . 23 . HD2 . . rr_1bbl 4
70 1 . . 1 1 22 22 GLU HB3 H . . . 1 1 23 23 HIS HE1 H . . . . . 5.0 2.5 6.0 . . . . . A . 22 GLU HB3 . . A . 23 HIS HE1 . . . 22 . HB1 . . . . . 23 . HE1 . . rr_1bbl 4
71 1 . . 1 1 22 22 GLU HB2 H . . . 1 1 23 23 HIS HE1 H . . . . . 5.0 2.5 6.0 . . . . . A . 22 GLU HB2 . . A . 23 HIS HE1 . . . 22 . HB2 . . . . . 23 . HE1 . . rr_1bbl 4
72 1 . . 1 1 23 23 HIS H H . . . 1 1 24 24 ASN H H . . . . . 3.0 1.8 3.3 . . . . . A . 23 HIS H . . A . 24 ASN H . . . 23 . HN . . . . . 24 . HN . . rr_1bbl 4
73 1 OR . 1 1 23 23 HIS H H . . . 1 1 24 24 ASN HD22 H . . . . . 5.0 2.5 7.0 . . . . . A . 23 HIS H . . A . 24 ASN HD22 . . . 23 . HN . . . . . 24 . HD2# . . rr_1bbl 4
73 2 OR . 1 1 23 23 HIS H H . . . 1 1 24 24 ASN HD21 H . . . . . 5.0 2.5 7.0 . . . . . A . 23 HIS H . . A . 24 ASN HD21 . . . 23 . HN . . . . . 24 . HD2# . . rr_1bbl 4
74 1 . . 1 1 23 23 HIS HA H . . . 1 1 24 24 ASN H H . . . . . 4.0 1.8 5.0 . . . . . A . 23 HIS HA . . A . 24 ASN H . . . 23 . HA . . . . . 24 . HN . . rr_1bbl 4
75 1 . . 1 1 23 23 HIS HD2 H . . . 1 1 24 24 ASN H H . . . . . 5.0 2.5 6.0 . . . . . A . 23 HIS HD2 . . A . 24 ASN H . . . 23 . HD2 . . . . . 24 . HN . . rr_1bbl 4
76 1 . . 1 1 24 24 ASN H H . . . 1 1 25 25 LEU H H . . . . . 4.0 1.8 5.0 . . . . . A . 24 ASN H . . A . 25 LEU H . . . 24 . HN . . . . . 25 . HN . . rr_1bbl 4
77 1 . . 1 1 24 24 ASN HA H . . . 1 1 25 25 LEU H H . . . . . 2.5 1.8 2.8 . . . . . A . 24 ASN HA . . A . 25 LEU H . . . 24 . HA . . . . . 25 . HN . . rr_1bbl 4
78 1 . . 1 1 25 25 LEU HA H . . . 1 1 26 26 ASP H H . . . . . 2.5 1.8 2.8 . . . . . A . 25 LEU HA . . A . 26 ASP H . . . 25 . HA . . . . . 26 . HN . . rr_1bbl 4
79 1 . . 1 1 25 25 LEU HB3 H . . . 1 1 26 26 ASP H H . . . . . 4.0 1.8 5.0 . . . . . A . 25 LEU HB3 . . A . 26 ASP H . . . 25 . HB1 . . . . . 26 . HN . . rr_1bbl 4
80 1 . . 1 1 25 25 LEU HB2 H . . . 1 1 26 26 ASP H H . . . . . 4.0 1.8 5.0 . . . . . A . 25 LEU HB2 . . A . 26 ASP H . . . 25 . HB2 . . . . . 26 . HN . . rr_1bbl 4
81 1 . . 1 1 25 25 LEU MD2 H . . . 1 1 26 26 ASP H H . . . . . 4.0 1.8 6.5 . . . . . A . 25 LEU MD2 . . A . 26 ASP H . . . 25 . HD2# . . . . . 26 . HN . . rr_1bbl 4
82 1 . . 1 1 26 26 ASP H H . . . 1 1 27 27 ALA H H . . . . . 5.0 2.5 6.0 . . . . . A . 26 ASP H . . A . 27 ALA H . . . 26 . HN . . . . . 27 . HN . . rr_1bbl 4
83 1 . . 1 1 26 26 ASP HA H . . . 1 1 27 27 ALA H H . . . . . 2.5 1.8 2.8 . . . . . A . 26 ASP HA . . A . 27 ALA H . . . 26 . HA . . . . . 27 . HN . . rr_1bbl 4
84 1 . . 1 1 27 27 ALA H H . . . 1 1 26 26 ASP HB3 H . . . . . 5.0 2.5 6.0 . . . . . A . 26 ASP HB3 . . A . 27 ALA H . . . 26 . HB1 . . . . . 27 . HN . . rr_1bbl 4
85 1 . . 1 1 27 27 ALA H H . . . 1 1 26 26 ASP HB2 H . . . . . 5.0 2.5 6.0 . . . . . A . 26 ASP HB2 . . A . 27 ALA H . . . 26 . HB2 . . . . . 27 . HN . . rr_1bbl 4
86 1 . . 1 1 27 27 ALA H H . . . 1 1 28 28 SER H H . . . . . 3.0 1.8 3.3 . . . . . A . 27 ALA H . . A . 28 SER H . . . 27 . HN . . . . . 28 . HN . . rr_1bbl 4
87 1 . . 1 1 27 27 ALA HA H . . . 1 1 28 28 SER H H . . . . . 4.0 1.8 5.0 . . . . . A . 27 ALA HA . . A . 28 SER H . . . 27 . HA . . . . . 28 . HN . . rr_1bbl 4
88 1 . . 1 1 27 27 ALA MB H . . . 1 1 28 28 SER H H . . . . . 3.0 1.8 4.8 . . . . . A . 27 ALA MB . . A . 28 SER H . . . 27 . HB# . . . . . 28 . HN . . rr_1bbl 4
89 1 . . 1 1 28 28 SER H H . . . 1 1 29 29 ALA H H . . . . . 2.5 1.8 2.8 . . . . . A . 28 SER H . . A . 29 ALA H . . . 28 . HN . . . . . 29 . HN . . rr_1bbl 4
90 1 . . 1 1 28 28 SER HA H . . . 1 1 29 29 ALA H H . . . . . 4.0 1.8 5.0 . . . . . A . 28 SER HA . . A . 29 ALA H . . . 28 . HA . . . . . 29 . HN . . rr_1bbl 4
91 1 OR . 1 1 29 29 ALA H H . . . 1 1 28 28 SER HB2 H . . . . . 5.0 2.5 7.0 . . . . . A . 28 SER HB2 . . A . 29 ALA H . . . 28 . HB# . . . . . 29 . HN . . rr_1bbl 4
91 2 OR . 1 1 28 28 SER HB3 H . . . 1 1 29 29 ALA H H . . . . . 5.0 2.5 7.0 . . . . . A . 28 SER HB3 . . A . 29 ALA H . . . 28 . HB# . . . . . 29 . HN . . rr_1bbl 4
92 1 . . 1 1 29 29 ALA H H . . . 1 1 30 30 ILE H H . . . . . 3.0 1.8 3.3 . . . . . A . 29 ALA H . . A . 30 ILE H . . . 29 . HN . . . . . 30 . HN . . rr_1bbl 4
93 1 . . 1 1 29 29 ALA HA H . . . 1 1 30 30 ILE H H . . . . . 4.0 1.8 5.0 . . . . . A . 29 ALA HA . . A . 30 ILE H . . . 29 . HA . . . . . 30 . HN . . rr_1bbl 4
94 1 . . 1 1 29 29 ALA MB H . . . 1 1 30 30 ILE H H . . . . . 4.0 1.8 6.5 . . . . . A . 29 ALA MB . . A . 30 ILE H . . . 29 . HB# . . . . . 30 . HN . . rr_1bbl 4
95 1 . . 1 1 29 29 ALA MB H . . . 1 1 30 30 ILE HG13 H . . . . . 4.0 1.8 6.5 . . . . . A . 29 ALA MB . . A . 30 ILE HG13 . . . 29 . HB# . . . . . 30 . HG11 . . rr_1bbl 4
96 1 . . 1 1 29 29 ALA MB H . . . 1 1 30 30 ILE HG12 H . . . . . 4.0 1.8 6.5 . . . . . A . 29 ALA MB . . A . 30 ILE HG12 . . . 29 . HB# . . . . . 30 . HG12 . . rr_1bbl 4
97 1 . . 1 1 29 29 ALA MB H . . . 1 1 30 30 ILE MD H . . . . . 5.0 2.5 9.0 . . . . . A . 29 ALA MB . . A . 30 ILE MD . . . 29 . HB# . . . . . 30 . HD# . . rr_1bbl 4
98 1 . . 1 1 30 30 ILE H H . . . 1 1 31 31 LYS H H . . . . . 4.0 1.8 5.0 . . . . . A . 30 ILE H . . A . 31 LYS H . . . 30 . HN . . . . . 31 . HN . . rr_1bbl 4
99 1 . . 1 1 30 30 ILE HA H . . . 1 1 31 31 LYS H H . . . . . 2.5 1.8 2.8 . . . . . A . 30 ILE HA . . A . 31 LYS H . . . 30 . HA . . . . . 31 . HN . . rr_1bbl 4
100 1 . . 1 1 30 30 ILE MG H . . . 1 1 31 31 LYS H H . . . . . 3.0 1.8 4.8 . . . . . A . 30 ILE MG . . A . 31 LYS H . . . 30 . HG2# . . . . . 31 . HN . . rr_1bbl 4
101 1 . . 1 1 31 31 LYS HA H . . . 1 1 32 32 GLY H H . . . . . 2.5 1.8 2.8 . . . . . A . 31 LYS HA . . A . 32 GLY H . . . 31 . HA . . . . . 32 . HN . . rr_1bbl 4
102 1 . . 1 1 32 32 GLY H H . . . 1 1 33 33 THR H H . . . . . 3.5 2.5 23.5 . . . . . A . 32 GLY H . . A . 33 THR H . . . 32 . HN . . . . . 33 . HN . . rr_1bbl 4
103 1 . . 1 1 33 33 THR H H . . . 1 1 32 32 GLY HA3 H . . . . . 4.0 1.8 5.0 . . . . . A . 32 GLY HA3 . . A . 33 THR H . . . 32 . HA1 . . . . . 33 . HN . . rr_1bbl 4
104 1 . . 1 1 32 32 GLY HA2 H . . . 1 1 33 33 THR H H . . . . . 4.0 1.8 5.0 . . . . . A . 32 GLY HA2 . . A . 33 THR H . . . 32 . HA2 . . . . . 33 . HN . . rr_1bbl 4
105 1 . . 1 1 33 33 THR H H . . . 1 1 34 34 GLY H H . . . . . 4.0 1.8 5.0 . . . . . A . 33 THR H . . A . 34 GLY H . . . 33 . HN . . . . . 34 . HN . . rr_1bbl 4
106 1 . . 1 1 33 33 THR HA H . . . 1 1 34 34 GLY H H . . . . . 4.0 1.8 5.0 . . . . . A . 33 THR HA . . A . 34 GLY H . . . 33 . HA . . . . . 34 . HN . . rr_1bbl 4
107 1 . . 1 1 33 33 THR HB H . . . 1 1 34 34 GLY H H . . . . . 5.0 2.5 6.0 . . . . . A . 33 THR HB . . A . 34 GLY H . . . 33 . HB . . . . . 34 . HN . . rr_1bbl 4
108 1 . . 1 1 33 33 THR MG H . . . 1 1 34 34 GLY H H . . . . . 4.0 1.8 6.5 . . . . . A . 33 THR MG . . A . 34 GLY H . . . 33 . HG2# . . . . . 34 . HN . . rr_1bbl 4
109 1 . . 1 1 34 34 GLY H H . . . 1 1 35 35 VAL H H . . . . . 5.0 2.5 6.0 . . . . . A . 34 GLY H . . A . 35 VAL H . . . 34 . HN . . . . . 35 . HN . . rr_1bbl 4
110 1 . . 1 1 35 35 VAL H H . . . 1 1 34 34 GLY HA3 H . . . . . 2.5 1.8 2.8 . . . . . A . 34 GLY HA3 . . A . 35 VAL H . . . 34 . HA1 . . . . . 35 . HN . . rr_1bbl 4
111 1 . . 1 1 34 34 GLY HA2 H . . . 1 1 35 35 VAL H H . . . . . 2.5 1.8 2.8 . . . . . A . 34 GLY HA2 . . A . 35 VAL H . . . 34 . HA2 . . . . . 35 . HN . . rr_1bbl 4
112 1 . . 1 1 35 35 VAL H H . . . 1 1 36 36 GLY H H . . . . . 5.0 2.5 6.0 . . . . . A . 35 VAL H . . A . 36 GLY H . . . 35 . HN . . . . . 36 . HN . . rr_1bbl 4
113 1 . . 1 1 35 35 VAL MG1 H . . . 1 1 36 36 GLY H H . . . . . 3.0 1.8 4.8 . . . . . A . 35 VAL MG1 . . A . 36 GLY H . . . 35 . HG1# . . . . . 36 . HN . . rr_1bbl 4
114 1 . . 1 1 35 35 VAL MG2 H . . . 1 1 36 36 GLY H H . . . . . 4.0 1.8 6.5 . . . . . A . 35 VAL MG2 . . A . 36 GLY H . . . 35 . HG2# . . . . . 36 . HN . . rr_1bbl 4
115 1 . . 1 1 36 36 GLY H H . . . 1 1 37 37 GLY H H . . . . . 3.0 1.8 3.3 . . . . . A . 36 GLY H . . A . 37 GLY H . . . 36 . HN . . . . . 37 . HN . . rr_1bbl 4
116 1 . . 1 1 37 37 GLY H H . . . 1 1 36 36 GLY HA3 H . . . . . 4.0 1.8 5.0 . . . . . A . 36 GLY HA3 . . A . 37 GLY H . . . 36 . HA1 . . . . . 37 . HN . . rr_1bbl 4
117 1 . . 1 1 36 36 GLY HA2 H . . . 1 1 37 37 GLY H H . . . . . 4.0 1.8 5.0 . . . . . A . 36 GLY HA2 . . A . 37 GLY H . . . 36 . HA2 . . . . . 37 . HN . . rr_1bbl 4
118 1 . . 1 1 37 37 GLY H H . . . 1 1 38 38 ARG H H . . . . . 3.0 1.8 3.3 . . . . . A . 37 GLY H . . A . 38 ARG H . . . 37 . HN . . . . . 38 . HN . . rr_1bbl 4
119 1 . . 1 1 38 38 ARG H H . . . 1 1 39 39 LEU H H . . . . . 5.0 2.5 6.0 . . . . . A . 38 ARG H . . A . 39 LEU H . . . 38 . HN . . . . . 39 . HN . . rr_1bbl 4
120 1 . . 1 1 38 38 ARG HA H . . . 1 1 39 39 LEU H H . . . . . 2.5 1.8 2.8 . . . . . A . 38 ARG HA . . A . 39 LEU H . . . 38 . HA . . . . . 39 . HN . . rr_1bbl 4
121 1 . . 1 1 38 38 ARG HA H . . . 1 1 39 39 LEU HA H . . . . . 5.0 2.5 6.0 . . . . . A . 38 ARG HA . . A . 39 LEU HA . . . 38 . HA . . . . . 39 . HA . . rr_1bbl 4
122 1 . . 1 1 39 39 LEU H H . . . 1 1 40 40 THR H H . . . . . 5.0 2.5 6.0 . . . . . A . 39 LEU H . . A . 40 THR H . . . 39 . HN . . . . . 40 . HN . . rr_1bbl 4
123 1 . . 1 1 39 39 LEU HA H . . . 1 1 40 40 THR H H . . . . . 2.5 1.8 2.8 . . . . . A . 39 LEU HA . . A . 40 THR H . . . 39 . HA . . . . . 40 . HN . . rr_1bbl 4
124 1 . . 1 1 39 39 LEU HA H . . . 1 1 40 40 THR MG H . . . . . 4.0 1.8 6.5 . . . . . A . 39 LEU HA . . A . 40 THR MG . . . 39 . HA . . . . . 40 . HG2# . . rr_1bbl 4
125 1 OR . 1 1 40 40 THR H H . . . 1 1 39 39 LEU HB2 H . . . . . 5.0 2.5 7.0 . . . . . A . 39 LEU HB2 . . A . 40 THR H . . . 39 . HB# . . . . . 40 . HN . . rr_1bbl 4
125 2 OR . 1 1 40 40 THR H H . . . 1 1 39 39 LEU HB3 H . . . . . 5.0 2.5 7.0 . . . . . A . 39 LEU HB3 . . A . 40 THR H . . . 39 . HB# . . . . . 40 . HN . . rr_1bbl 4
126 1 . . 1 1 40 40 THR H H . . . 1 1 39 39 LEU MD1 H . . . . . 5.0 2.5 7.5 . . . . . A . 39 LEU MD1 . . A . 40 THR H . . . 39 . HD1# . . . . . 40 . HN . . rr_1bbl 4
127 1 . . 1 1 40 40 THR H H . . . 1 1 39 39 LEU MD2 H . . . . . 5.0 2.5 7.5 . . . . . A . 39 LEU MD2 . . A . 40 THR H . . . 39 . HD2# . . . . . 40 . HN . . rr_1bbl 4
128 1 . . 1 1 40 40 THR HA H . . . 1 1 41 41 ARG H H . . . . . 3.0 1.8 3.3 . . . . . A . 40 THR HA . . A . 41 ARG H . . . 40 . HA . . . . . 41 . HN . . rr_1bbl 4
129 1 . . 1 1 40 40 THR HA H . . . 1 1 41 41 ARG HA H . . . . . 5.0 2.5 6.0 . . . . . A . 40 THR HA . . A . 41 ARG HA . . . 40 . HA . . . . . 41 . HA . . rr_1bbl 4
130 1 . . 1 1 40 40 THR HB H . . . 1 1 41 41 ARG H H . . . . . 3.0 1.8 3.3 . . . . . A . 40 THR HB . . A . 41 ARG H . . . 40 . HB . . . . . 41 . HN . . rr_1bbl 4
131 1 . . 1 1 40 40 THR HB H . . . 1 1 41 41 ARG HA H . . . . . 5.0 2.5 6.0 . . . . . A . 40 THR HB . . A . 41 ARG HA . . . 40 . HB . . . . . 41 . HA . . rr_1bbl 4
132 1 . . 1 1 40 40 THR MG H . . . 1 1 41 41 ARG H H . . . . . 4.0 1.8 6.5 . . . . . A . 40 THR MG . . A . 41 ARG H . . . 40 . HG2# . . . . . 41 . HN . . rr_1bbl 4
133 1 . . 1 1 41 41 ARG H H . . . 1 1 42 42 GLU H H . . . . . 3.0 1.8 3.3 . . . . . A . 41 ARG H . . A . 42 GLU H . . . 41 . HN . . . . . 42 . HN . . rr_1bbl 4
134 1 . . 1 1 41 41 ARG HA H . . . 1 1 42 42 GLU H H . . . . . 4.0 1.8 5.0 . . . . . A . 41 ARG HA . . A . 42 GLU H . . . 41 . HA . . . . . 42 . HN . . rr_1bbl 4
135 1 . . 1 1 41 41 ARG HB3 H . . . 1 1 42 42 GLU H H . . . . . 4.0 1.8 5.0 . . . . . A . 41 ARG HB3 . . A . 42 GLU H . . . 41 . HB1 . . . . . 42 . HN . . rr_1bbl 4
136 1 OR . 1 1 42 42 GLU H H . . . 1 1 41 41 ARG HG2 H . . . . . 5.0 2.5 7.0 . . . . . A . 41 ARG HG2 . . A . 42 GLU H . . . 41 . HG# . . . . . 42 . HN . . rr_1bbl 4
136 2 OR . 1 1 41 41 ARG HG3 H . . . 1 1 42 42 GLU H H . . . . . 5.0 2.5 7.0 . . . . . A . 41 ARG HG3 . . A . 42 GLU H . . . 41 . HG# . . . . . 42 . HN . . rr_1bbl 4
137 1 . . 1 1 42 42 GLU H H . . . 1 1 43 43 ASP H H . . . . . 3.0 1.8 3.3 . . . . . A . 42 GLU H . . A . 43 ASP H . . . 42 . HN . . . . . 43 . HN . . rr_1bbl 4
138 1 . . 1 1 42 42 GLU HA H . . . 1 1 43 43 ASP H H . . . . . 4.0 1.8 5.0 . . . . . A . 42 GLU HA . . A . 43 ASP H . . . 42 . HA . . . . . 43 . HN . . rr_1bbl 4
139 1 . . 1 1 42 42 GLU HB3 H . . . 1 1 43 43 ASP H H . . . . . 4.0 1.8 5.0 . . . . . A . 42 GLU HB3 . . A . 43 ASP H . . . 42 . HB1 . . . . . 43 . HN . . rr_1bbl 4
140 1 . . 1 1 42 42 GLU HB2 H . . . 1 1 43 43 ASP H H . . . . . 4.0 1.8 5.0 . . . . . A . 42 GLU HB2 . . A . 43 ASP H . . . 42 . HB2 . . . . . 43 . HN . . rr_1bbl 4
141 1 . . 1 1 43 43 ASP H H . . . 1 1 44 44 VAL H H . . . . . 3.0 1.8 3.3 . . . . . A . 43 ASP H . . A . 44 VAL H . . . 43 . HN . . . . . 44 . HN . . rr_1bbl 4
142 1 . . 1 1 43 43 ASP HA H . . . 1 1 44 44 VAL H H . . . . . 4.0 1.8 5.0 . . . . . A . 43 ASP HA . . A . 44 VAL H . . . 43 . HA . . . . . 44 . HN . . rr_1bbl 4
143 1 . . 1 1 43 43 ASP HB2 H . . . 1 1 44 44 VAL H H . . . . . 3.0 1.8 3.3 . . . . . A . 43 ASP HB2 . . A . 44 VAL H . . . 43 . HB2 . . . . . 44 . HN . . rr_1bbl 4
144 1 . . 1 1 44 44 VAL H H . . . 1 1 43 43 ASP HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 43 ASP HB3 . . A . 44 VAL H . . . 43 . HB1 . . . . . 44 . HN . . rr_1bbl 4
145 1 . . 1 1 44 44 VAL HA H . . . 1 1 43 43 ASP HB3 H . . . . . 5.0 2.5 6.0 . . . . . A . 43 ASP HB3 . . A . 44 VAL HA . . . 43 . HB1 . . . . . 44 . HA . . rr_1bbl 4
146 1 . . 1 1 44 44 VAL MG2 H . . . 1 1 43 43 ASP HB3 H . . . . . 4.0 1.8 6.5 . . . . . A . 43 ASP HB3 . . A . 44 VAL MG2 . . . 43 . HB1 . . . . . 44 . HG2# . . rr_1bbl 4
147 1 . . 1 1 43 43 ASP HB2 H . . . 1 1 44 44 VAL MG2 H . . . . . 4.0 1.8 6.5 . . . . . A . 43 ASP HB2 . . A . 44 VAL MG2 . . . 43 . HB2 . . . . . 44 . HG2# . . rr_1bbl 4
148 1 . . 1 1 44 44 VAL H H . . . 1 1 45 45 GLU H H . . . . . 2.5 1.8 2.8 . . . . . A . 44 VAL H . . A . 45 GLU H . . . 44 . HN . . . . . 45 . HN . . rr_1bbl 4
149 1 . . 1 1 44 44 VAL HA H . . . 1 1 45 45 GLU H H . . . . . 4.0 1.8 5.0 . . . . . A . 44 VAL HA . . A . 45 GLU H . . . 44 . HA . . . . . 45 . HN . . rr_1bbl 4
150 1 . . 1 1 44 44 VAL HB H . . . 1 1 45 45 GLU H H . . . . . 3.0 1.8 3.3 . . . . . A . 44 VAL HB . . A . 45 GLU H . . . 44 . HB . . . . . 45 . HN . . rr_1bbl 4
151 1 . . 1 1 44 44 VAL MG1 H . . . 1 1 45 45 GLU H H . . . . . 4.0 1.8 6.5 . . . . . A . 44 VAL MG1 . . A . 45 GLU H . . . 44 . HG1# . . . . . 45 . HN . . rr_1bbl 4
152 1 . . 1 1 44 44 VAL MG2 H . . . 1 1 45 45 GLU H H . . . . . 4.0 1.8 6.5 . . . . . A . 44 VAL MG2 . . A . 45 GLU H . . . 44 . HG2# . . . . . 45 . HN . . rr_1bbl 4
153 1 . . 1 1 45 45 GLU H H . . . 1 1 46 46 LYS H H . . . . . 3.0 1.8 3.3 . . . . . A . 45 GLU H . . A . 46 LYS H . . . 45 . HN . . . . . 46 . HN . . rr_1bbl 4
154 1 . . 1 1 45 45 GLU HA H . . . 1 1 46 46 LYS H H . . . . . 4.0 1.8 5.0 . . . . . A . 45 GLU HA . . A . 46 LYS H . . . 45 . HA . . . . . 46 . HN . . rr_1bbl 4
155 1 . . 1 1 46 46 LYS H H . . . 1 1 45 45 GLU HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 45 GLU HB3 . . A . 46 LYS H . . . 45 . HB1 . . . . . 46 . HN . . rr_1bbl 4
156 1 . . 1 1 45 45 GLU HB2 H . . . 1 1 46 46 LYS H H . . . . . 4.0 1.8 5.0 . . . . . A . 45 GLU HB2 . . A . 46 LYS H . . . 45 . HB2 . . . . . 46 . HN . . rr_1bbl 4
157 1 . . 1 1 46 46 LYS H H . . . 1 1 47 47 HIS H H . . . . . 3.0 1.8 3.3 . . . . . A . 46 LYS H . . A . 47 HIS H . . . 46 . HN . . . . . 47 . HN . . rr_1bbl 4
158 1 . . 1 1 46 46 LYS HA H . . . 1 1 47 47 HIS H H . . . . . 4.0 1.8 5.0 . . . . . A . 46 LYS HA . . A . 47 HIS H . . . 46 . HA . . . . . 47 . HN . . rr_1bbl 4
159 1 OR . 1 1 47 47 HIS H H . . . 1 1 46 46 LYS HB2 H . . . . . 4.0 1.8 6.0 . . . . . A . 46 LYS HB2 . . A . 47 HIS H . . . 46 . HB# . . . . . 47 . HN . . rr_1bbl 4
159 2 OR . 1 1 46 46 LYS HB3 H . . . 1 1 47 47 HIS H H . . . . . 4.0 1.8 6.0 . . . . . A . 46 LYS HB3 . . A . 47 HIS H . . . 46 . HB# . . . . . 47 . HN . . rr_1bbl 4
160 1 . . 1 1 47 47 HIS H H . . . 1 1 48 48 LEU H H . . . . . 3.0 1.8 3.3 . . . . . A . 47 HIS H . . A . 48 LEU H . . . 47 . HN . . . . . 48 . HN . . rr_1bbl 4
161 1 . . 1 1 47 47 HIS HA H . . . 1 1 48 48 LEU H H . . . . . 4.0 1.8 5.0 . . . . . A . 47 HIS HA . . A . 48 LEU H . . . 47 . HA . . . . . 48 . HN . . rr_1bbl 4
162 1 . . 1 1 47 47 HIS HB3 H . . . 1 1 48 48 LEU H H . . . . . 4.0 1.8 5.0 . . . . . A . 47 HIS HB3 . . A . 48 LEU H . . . 47 . HB1 . . . . . 48 . HN . . rr_1bbl 4
163 1 . . 1 1 47 47 HIS HB2 H . . . 1 1 48 48 LEU H H . . . . . 4.0 1.8 5.0 . . . . . A . 47 HIS HB2 . . A . 48 LEU H . . . 47 . HB2 . . . . . 48 . HN . . rr_1bbl 4
164 1 . . 1 1 47 47 HIS HD2 H . . . 1 1 48 48 LEU HA H . . . . . 5.0 2.5 6.0 . . . . . A . 47 HIS HD2 . . A . 48 LEU HA . . . 47 . HD2 . . . . . 48 . HA . . rr_1bbl 4
165 1 . . 1 1 48 48 LEU H H . . . 1 1 49 49 ALA H H . . . . . 4.0 1.8 5.0 . . . . . A . 48 LEU H . . . . . . . . . . 48 . HN . . . . . 49 . HN . . rr_1bbl 4
166 1 . . 1 1 48 48 LEU HB2 H . . . 1 1 49 49 ALA H H . . . . . 4.0 1.8 5.0 . . . . . A . 48 LEU HB2 . . . . . . . . . . 48 . HB2 . . . . . 49 . HN . . rr_1bbl 4
167 1 . . 1 1 48 48 LEU HA H . . . 1 1 49 49 ALA H H . . . . . 4.0 1.8 5.0 . . . . . A . 48 LEU HA . . . . . . . . . . 48 . HA . . . . . 49 . HN . . rr_1bbl 4
168 1 . . 1 1 49 49 ALA MB H . . . 1 1 50 50 LYS H H . . . . . 4.0 1.8 6.5 . . . . . . . . . . . . . . . . . . . . 49 . HB# . . . . . 50 . HN . . rr_1bbl 4
169 1 . . 1 1 50 50 LYS HA H . . . 1 1 51 51 ALA H H . . . . . 4.0 1.8 5.0 . . . . . . . . . . . . . . . . . . . . 50 . HA . . . . . 51 . HN . . rr_1bbl 4
stop_
loop_
_Gen_dist_constraint_comment_org.ID
_Gen_dist_constraint_comment_org.Comment_text
_Gen_dist_constraint_comment_org.Comment_begin_line
_Gen_dist_constraint_comment_org.Comment_begin_column
_Gen_dist_constraint_comment_org.Comment_end_line
_Gen_dist_constraint_comment_org.Comment_end_column
_Gen_dist_constraint_comment_org.Entry_ID
_Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID
1 "! residue 1 TYR" 1 1 1 17 rr_1bbl 4
2 "! residue 2 ALA" 6 1 6 70 rr_1bbl 4
3 "! residue 3 SER" 11 1 11 70 rr_1bbl 4
4 "! residue 4 LEU" 15 1 15 67 rr_1bbl 4
5 "! residue 5 GLU" 20 1 20 78 rr_1bbl 4
6 "! residue 6 GLU" 23 1 23 78 rr_1bbl 4
7 "! residue 7 GLN" 26 1 26 78 rr_1bbl 4
8 "! residue 9 ASN" 32 1 32 75 rr_1bbl 4
9 "! residue 10 ASP" 37 1 37 78 rr_1bbl 4
10 "! residue 11 ALA" 42 1 42 71 rr_1bbl 4
11 "! residue 12 LEU" 47 1 47 68 rr_1bbl 4
12 "! residue 13 SER" 52 1 52 71 rr_1bbl 4
13 "! residue 14 PRO" 60 1 60 75 rr_1bbl 4
14 "! residue 15 ALA" 67 1 67 71 rr_1bbl 4
15 "! residue 16 ILE" 72 1 72 74 rr_1bbl 4
16 "! residue 17 ARG" 80 1 80 81 rr_1bbl 4
17 "! residue 18 ARG" 84 1 84 81 rr_1bbl 4
18 "! residue 19 LEU" 89 1 89 68 rr_1bbl 4
19 "! residue 20 LEU" 94 1 94 68 rr_1bbl 4
20 "! residue 21 ALA" 99 1 99 71 rr_1bbl 4
21 "! residue 22 GLU" 104 1 104 79 rr_1bbl 4
22 "! residue 23 HIS" 115 1 115 69 rr_1bbl 4
23 "! residue 24 ASN" 121 1 121 76 rr_1bbl 4
24 "! residue 25 LEU" 125 1 125 68 rr_1bbl 4
25 "! residue 26 ASP" 131 1 131 78 rr_1bbl 4
26 "! residue 27 ALA" 137 1 137 71 rr_1bbl 4
27 "! residue 28 SER" 142 1 142 71 rr_1bbl 4
28 "! residue 29 ALA" 147 1 147 71 rr_1bbl 4
29 "! residue 30 ILE" 155 1 155 76 rr_1bbl 4
30 "! residue 31 LYS" 160 1 160 75 rr_1bbl 4
31 "! residue 32 GLY" 163 1 163 72 rr_1bbl 4
32 "! residue 33 THR" 168 1 168 75 rr_1bbl 4
33 "! residue 34 GLY" 174 1 174 72 rr_1bbl 4
34 "! residue 35 VAL" 179 1 179 71 rr_1bbl 4
35 "! residue 36 GLY" 184 1 184 72 rr_1bbl 4
36 "! residue 37 GLY" 189 1 189 72 rr_1bbl 4
37 "! residue 38 ARG" 192 1 192 81 rr_1bbl 4
38 "! residue 39 LEU" 197 1 197 72 rr_1bbl 4
39 "! residue 40 THR" 205 1 205 75 rr_1bbl 4
40 "! residue 41 ARG" 212 1 212 81 rr_1bbl 4
41 "! residue 42 GLU" 218 1 218 79 rr_1bbl 4
42 "! residue 43 ASP" 224 1 224 78 rr_1bbl 4
43 "! residue 44 VAL" 233 1 233 71 rr_1bbl 4
44 "! residue 45 GLU" 240 1 240 79 rr_1bbl 4
45 "! residue 46 LYS" 246 1 246 75 rr_1bbl 4
46 "! residue 47 HIS" 251 1 251 69 rr_1bbl 4
47 "! residue 48 LEU" 258 1 258 68 rr_1bbl 4
48 "! residue 49 ALA" 263 1 263 71 rr_1bbl 4
49 "! residue 50 LYS" 266 1 266 75 rr_1bbl 4
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_1bbl
_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_1bbl 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_1bbl 1
2 1 . . . rr_1bbl 1
3 1 . . . rr_1bbl 1
4 1 . . . rr_1bbl 1
5 1 . . . rr_1bbl 1
6 1 . . . rr_1bbl 1
7 1 . . . rr_1bbl 1
8 1 . . . rr_1bbl 1
9 1 . . . rr_1bbl 1
10 1 2 . OR rr_1bbl 1
10 2 . 3 . rr_1bbl 1
10 3 . . . rr_1bbl 1
11 1 . . . rr_1bbl 1
12 1 . . . rr_1bbl 1
13 1 . . . rr_1bbl 1
14 1 2 . OR rr_1bbl 1
14 2 . 3 . rr_1bbl 1
14 3 . . . rr_1bbl 1
15 1 . . . rr_1bbl 1
16 1 . . . rr_1bbl 1
17 1 2 . OR rr_1bbl 1
17 2 . 3 . rr_1bbl 1
17 3 . . . rr_1bbl 1
18 1 2 . OR rr_1bbl 1
18 2 . 3 . rr_1bbl 1
18 3 . . . rr_1bbl 1
19 1 2 . OR rr_1bbl 1
19 2 . 3 . rr_1bbl 1
19 3 . . . rr_1bbl 1
20 1 2 . OR rr_1bbl 1
20 2 . 3 . rr_1bbl 1
20 3 . . . rr_1bbl 1
21 1 . . . rr_1bbl 1
22 1 2 . OR rr_1bbl 1
22 2 . 3 . rr_1bbl 1
22 3 . . . rr_1bbl 1
23 1 2 . OR rr_1bbl 1
23 2 . 3 . rr_1bbl 1
23 3 . . . rr_1bbl 1
24 1 2 . OR rr_1bbl 1
24 2 . 3 . rr_1bbl 1
24 3 . . . rr_1bbl 1
25 1 2 . OR rr_1bbl 1
25 2 . 3 . rr_1bbl 1
25 3 . . . rr_1bbl 1
26 1 . . . rr_1bbl 1
27 1 2 . OR rr_1bbl 1
27 2 . 3 . rr_1bbl 1
27 3 . . . rr_1bbl 1
28 1 2 . OR rr_1bbl 1
28 2 . 3 . rr_1bbl 1
28 3 . . . rr_1bbl 1
29 1 2 . OR rr_1bbl 1
29 2 . 3 . rr_1bbl 1
29 3 . . . rr_1bbl 1
30 1 2 . OR rr_1bbl 1
30 2 . 3 . rr_1bbl 1
30 3 . . . rr_1bbl 1
31 1 . . . rr_1bbl 1
32 1 2 . OR rr_1bbl 1
32 2 . 3 . rr_1bbl 1
32 3 . . . rr_1bbl 1
33 1 2 . OR rr_1bbl 1
33 2 . 3 . rr_1bbl 1
33 3 . . . rr_1bbl 1
34 1 . . . rr_1bbl 1
35 1 . . . rr_1bbl 1
36 1 2 . OR rr_1bbl 1
36 2 . 3 . rr_1bbl 1
36 3 . . . rr_1bbl 1
37 1 2 . OR rr_1bbl 1
37 2 . 3 . rr_1bbl 1
37 3 . . . rr_1bbl 1
38 1 . . . rr_1bbl 1
39 1 2 . OR rr_1bbl 1
39 2 . 3 . rr_1bbl 1
39 3 . . . rr_1bbl 1
40 1 2 . OR rr_1bbl 1
40 2 . 3 . rr_1bbl 1
40 3 . . . rr_1bbl 1
41 1 . . . rr_1bbl 1
42 1 . . . rr_1bbl 1
43 1 . . . rr_1bbl 1
44 1 . . . rr_1bbl 1
45 1 . . . rr_1bbl 1
46 1 2 . OR rr_1bbl 1
46 2 . 3 . rr_1bbl 1
46 3 . . . rr_1bbl 1
47 1 2 . OR rr_1bbl 1
47 2 . 3 . rr_1bbl 1
47 3 . . . rr_1bbl 1
48 1 . . . rr_1bbl 1
49 1 . . . rr_1bbl 1
50 1 . . . rr_1bbl 1
51 1 . . . rr_1bbl 1
52 1 . . . rr_1bbl 1
53 1 2 . OR rr_1bbl 1
53 2 . 3 . rr_1bbl 1
53 3 . . . rr_1bbl 1
54 1 2 . OR rr_1bbl 1
54 2 . 3 . rr_1bbl 1
54 3 . . . rr_1bbl 1
55 1 . . . rr_1bbl 1
56 1 . . . rr_1bbl 1
57 1 . . . rr_1bbl 1
58 1 . . . rr_1bbl 1
59 1 . . . rr_1bbl 1
60 1 . . . rr_1bbl 1
61 1 . . . rr_1bbl 1
62 1 2 . OR rr_1bbl 1
62 2 . 3 . rr_1bbl 1
62 3 . . . rr_1bbl 1
63 1 . . . rr_1bbl 1
64 1 . . . rr_1bbl 1
65 1 . . . rr_1bbl 1
66 1 2 . OR rr_1bbl 1
66 2 . 3 . rr_1bbl 1
66 3 . . . rr_1bbl 1
67 1 . . . rr_1bbl 1
68 1 2 . OR rr_1bbl 1
68 2 . 3 . rr_1bbl 1
68 3 . . . rr_1bbl 1
69 1 . . . rr_1bbl 1
70 1 . . . rr_1bbl 1
71 1 . . . rr_1bbl 1
72 1 2 . OR rr_1bbl 1
72 2 . 3 . rr_1bbl 1
72 3 . . . rr_1bbl 1
73 1 2 . OR rr_1bbl 1
73 2 . 3 . rr_1bbl 1
73 3 . . . rr_1bbl 1
74 1 . . . rr_1bbl 1
75 1 . . . rr_1bbl 1
76 1 . . . rr_1bbl 1
77 1 . . . rr_1bbl 1
78 1 . . . rr_1bbl 1
79 1 . . . rr_1bbl 1
80 1 . . . rr_1bbl 1
81 1 . . . rr_1bbl 1
82 1 . . . rr_1bbl 1
83 1 . . . rr_1bbl 1
84 1 . . . rr_1bbl 1
85 1 . . . rr_1bbl 1
86 1 . . . rr_1bbl 1
87 1 . . . rr_1bbl 1
88 1 . . . rr_1bbl 1
89 1 . . . rr_1bbl 1
90 1 . . . rr_1bbl 1
91 1 . . . rr_1bbl 1
92 1 2 . OR rr_1bbl 1
92 2 . 3 . rr_1bbl 1
92 3 . . . rr_1bbl 1
93 1 . . . rr_1bbl 1
94 1 . . . rr_1bbl 1
95 1 2 . OR rr_1bbl 1
95 2 . 3 . rr_1bbl 1
95 3 . . . rr_1bbl 1
96 1 . . . rr_1bbl 1
97 1 . . . rr_1bbl 1
98 1 . . . rr_1bbl 1
99 1 . . . rr_1bbl 1
100 1 . . . rr_1bbl 1
101 1 . . . rr_1bbl 1
102 1 . . . rr_1bbl 1
103 1 2 . OR rr_1bbl 1
103 2 . 3 . rr_1bbl 1
103 3 . . . rr_1bbl 1
104 1 . . . rr_1bbl 1
105 1 . . . rr_1bbl 1
106 1 . . . rr_1bbl 1
107 1 2 . OR rr_1bbl 1
107 2 . 3 . rr_1bbl 1
107 3 . . . rr_1bbl 1
108 1 . . . rr_1bbl 1
109 1 . . . rr_1bbl 1
110 1 2 . OR rr_1bbl 1
110 2 . 3 . rr_1bbl 1
110 3 . . . rr_1bbl 1
111 1 2 . OR rr_1bbl 1
111 2 . 3 . rr_1bbl 1
111 3 . . . rr_1bbl 1
112 1 2 . OR rr_1bbl 1
112 2 . 3 . rr_1bbl 1
112 3 . . . rr_1bbl 1
113 1 . . . rr_1bbl 1
114 1 . . . rr_1bbl 1
115 1 . . . rr_1bbl 1
116 1 . . . rr_1bbl 1
117 1 . . . rr_1bbl 1
118 1 . . . rr_1bbl 1
119 1 . . . rr_1bbl 1
120 1 . . . rr_1bbl 1
121 1 . . . rr_1bbl 1
122 1 . . . rr_1bbl 1
123 1 . . . rr_1bbl 1
124 1 . . . rr_1bbl 1
125 1 . . . rr_1bbl 1
126 1 2 . OR rr_1bbl 1
126 2 . 3 . rr_1bbl 1
126 3 . . . rr_1bbl 1
127 1 . . . rr_1bbl 1
128 1 . . . rr_1bbl 1
129 1 . . . rr_1bbl 1
130 1 . . . rr_1bbl 1
131 1 . . . rr_1bbl 1
132 1 . . . rr_1bbl 1
133 1 . . . rr_1bbl 1
134 1 . . . rr_1bbl 1
135 1 2 . OR rr_1bbl 1
135 2 . 3 . rr_1bbl 1
135 3 . . . rr_1bbl 1
136 1 2 . OR rr_1bbl 1
136 2 . 3 . rr_1bbl 1
136 3 . . . rr_1bbl 1
137 1 . . . rr_1bbl 1
138 1 . . . rr_1bbl 1
139 1 . . . rr_1bbl 1
140 1 . . . rr_1bbl 1
141 1 . . . rr_1bbl 1
142 1 . . . rr_1bbl 1
143 1 2 . OR rr_1bbl 1
143 2 . 3 . rr_1bbl 1
143 3 . . . rr_1bbl 1
144 1 . . . rr_1bbl 1
145 1 . . . rr_1bbl 1
146 1 2 . OR rr_1bbl 1
146 2 . 3 . rr_1bbl 1
146 3 . . . rr_1bbl 1
147 1 . . . rr_1bbl 1
148 1 . . . rr_1bbl 1
149 1 . . . rr_1bbl 1
150 1 . . . rr_1bbl 1
151 1 . . . rr_1bbl 1
152 1 . . . rr_1bbl 1
153 1 . . . rr_1bbl 1
154 1 . . . rr_1bbl 1
155 1 . . . rr_1bbl 1
156 1 . . . rr_1bbl 1
157 1 . . . rr_1bbl 1
158 1 . . . rr_1bbl 1
159 1 . . . rr_1bbl 1
160 1 . . . rr_1bbl 1
161 1 . . . rr_1bbl 1
162 1 . . . rr_1bbl 1
163 1 . . . rr_1bbl 1
164 1 . . . rr_1bbl 1
165 1 . . . rr_1bbl 1
166 1 . . . rr_1bbl 1
167 1 . . . rr_1bbl 1
168 1 . . . rr_1bbl 1
169 1 . . . rr_1bbl 1
170 1 . . . rr_1bbl 1
171 1 . . . rr_1bbl 1
172 1 . . . rr_1bbl 1
173 1 . . . rr_1bbl 1
174 1 . . . rr_1bbl 1
175 1 . . . rr_1bbl 1
176 1 . . . rr_1bbl 1
177 1 . . . rr_1bbl 1
178 1 . . . rr_1bbl 1
179 1 . . . rr_1bbl 1
180 1 . . . rr_1bbl 1
181 1 . . . rr_1bbl 1
182 1 . . . rr_1bbl 1
183 1 . . . rr_1bbl 1
184 1 . . . rr_1bbl 1
185 1 . . . rr_1bbl 1
186 1 . . . rr_1bbl 1
187 1 . . . rr_1bbl 1
188 1 2 . OR rr_1bbl 1
188 2 . 3 . rr_1bbl 1
188 3 . . . rr_1bbl 1
189 1 . . . rr_1bbl 1
190 1 . . . rr_1bbl 1
191 1 . . . rr_1bbl 1
192 1 . . . rr_1bbl 1
193 1 . . . rr_1bbl 1
194 1 . . . rr_1bbl 1
195 1 . . . rr_1bbl 1
196 1 . . . rr_1bbl 1
197 1 . . . rr_1bbl 1
198 1 . . . rr_1bbl 1
199 1 . . . rr_1bbl 1
200 1 . . . rr_1bbl 1
201 1 . . . rr_1bbl 1
202 1 . . . rr_1bbl 1
203 1 . . . rr_1bbl 1
204 1 . . . rr_1bbl 1
205 1 . . . rr_1bbl 1
206 1 2 . OR rr_1bbl 1
206 2 . 3 . rr_1bbl 1
206 3 . . . rr_1bbl 1
207 1 2 . OR rr_1bbl 1
207 2 . 3 . rr_1bbl 1
207 3 . . . rr_1bbl 1
208 1 2 . OR rr_1bbl 1
208 2 . 3 . rr_1bbl 1
208 3 . . . rr_1bbl 1
209 1 . . . rr_1bbl 1
210 1 . . . rr_1bbl 1
211 1 . . . rr_1bbl 1
212 1 . . . rr_1bbl 1
213 1 2 . OR rr_1bbl 1
213 2 . 3 . rr_1bbl 1
213 3 . . . rr_1bbl 1
214 1 . . . rr_1bbl 1
215 1 . . . rr_1bbl 1
216 1 . . . rr_1bbl 1
217 1 . . . rr_1bbl 1
218 1 . . . rr_1bbl 1
219 1 . . . rr_1bbl 1
220 1 . . . rr_1bbl 1
221 1 2 . OR rr_1bbl 1
221 2 . 3 . rr_1bbl 1
221 3 . . . rr_1bbl 1
222 1 . . . rr_1bbl 1
223 1 . . . rr_1bbl 1
224 1 . . . rr_1bbl 1
225 1 2 . OR rr_1bbl 1
225 2 . 3 . rr_1bbl 1
225 3 . . . rr_1bbl 1
226 1 2 . OR rr_1bbl 1
226 2 . 3 . rr_1bbl 1
226 3 . . . rr_1bbl 1
227 1 . . . rr_1bbl 1
228 1 . . . rr_1bbl 1
229 1 2 . OR rr_1bbl 1
229 2 . 3 . rr_1bbl 1
229 3 . . . rr_1bbl 1
230 1 2 . OR rr_1bbl 1
230 2 . 3 . rr_1bbl 1
230 3 . . . rr_1bbl 1
231 1 2 . OR rr_1bbl 1
231 2 . 3 . rr_1bbl 1
231 3 . . . rr_1bbl 1
232 1 . . . rr_1bbl 1
233 1 . . . rr_1bbl 1
234 1 . . . rr_1bbl 1
235 1 . . . rr_1bbl 1
236 1 . . . rr_1bbl 1
237 1 . . . rr_1bbl 1
238 1 . . . rr_1bbl 1
239 1 . . . rr_1bbl 1
240 1 . . . rr_1bbl 1
241 1 . . . rr_1bbl 1
242 1 . . . rr_1bbl 1
243 1 . . . rr_1bbl 1
244 1 . . . rr_1bbl 1
245 1 . . . rr_1bbl 1
246 1 . . . rr_1bbl 1
247 1 . . . rr_1bbl 1
248 1 . . . rr_1bbl 1
249 1 . . . rr_1bbl 1
250 1 2 . OR rr_1bbl 1
250 2 . 3 . rr_1bbl 1
250 3 . . . rr_1bbl 1
251 1 2 . OR rr_1bbl 1
251 2 . 3 . rr_1bbl 1
251 3 . . . rr_1bbl 1
252 1 . . . rr_1bbl 1
253 1 . . . rr_1bbl 1
254 1 2 . OR rr_1bbl 1
254 2 . 3 . rr_1bbl 1
254 3 . . . rr_1bbl 1
255 1 2 . OR rr_1bbl 1
255 2 . 3 . rr_1bbl 1
255 3 . . . rr_1bbl 1
256 1 2 . OR rr_1bbl 1
256 2 . 3 . rr_1bbl 1
256 3 . . . rr_1bbl 1
257 1 . . . rr_1bbl 1
258 1 2 . OR rr_1bbl 1
258 2 . 3 . rr_1bbl 1
258 3 . . . rr_1bbl 1
259 1 . . . rr_1bbl 1
260 1 . . . rr_1bbl 1
261 1 . . . rr_1bbl 1
262 1 2 . OR rr_1bbl 1
262 2 . 3 . rr_1bbl 1
262 3 . . . rr_1bbl 1
263 1 . . . rr_1bbl 1
264 1 . . . rr_1bbl 1
265 1 2 . OR rr_1bbl 1
265 2 . 3 . rr_1bbl 1
265 3 . . . rr_1bbl 1
266 1 . . . rr_1bbl 1
267 1 2 . OR rr_1bbl 1
267 2 . 3 . rr_1bbl 1
267 3 . . . rr_1bbl 1
268 1 . . . rr_1bbl 1
269 1 . . . rr_1bbl 1
270 1 . . . rr_1bbl 1
271 1 . . . rr_1bbl 1
272 1 . . . rr_1bbl 1
273 1 . . . rr_1bbl 1
274 1 . . . rr_1bbl 1
275 1 . . . rr_1bbl 1
276 1 . . . rr_1bbl 1
277 1 . . . rr_1bbl 1
278 1 . . . rr_1bbl 1
279 1 . . . rr_1bbl 1
280 1 2 . OR rr_1bbl 1
280 2 . 3 . rr_1bbl 1
280 3 . . . rr_1bbl 1
281 1 2 . OR rr_1bbl 1
281 2 . 3 . rr_1bbl 1
281 3 . . . rr_1bbl 1
282 1 2 . OR rr_1bbl 1
282 2 . 3 . rr_1bbl 1
282 3 . . . rr_1bbl 1
283 1 . . . rr_1bbl 1
284 1 2 . OR rr_1bbl 1
284 2 . 3 . rr_1bbl 1
284 3 . . . rr_1bbl 1
285 1 . . . rr_1bbl 1
286 1 . . . rr_1bbl 1
287 1 . . . rr_1bbl 1
288 1 . . . rr_1bbl 1
289 1 . . . rr_1bbl 1
290 1 . . . rr_1bbl 1
291 1 . . . rr_1bbl 1
292 1 . . . rr_1bbl 1
293 1 . . . rr_1bbl 1
294 1 . . . rr_1bbl 1
295 1 . . . rr_1bbl 1
296 1 . . . rr_1bbl 1
297 1 . . . rr_1bbl 1
298 1 . . . rr_1bbl 1
299 1 . . . rr_1bbl 1
300 1 . . . rr_1bbl 1
301 1 . . . rr_1bbl 1
302 1 . . . rr_1bbl 1
303 1 . . . rr_1bbl 1
304 1 . . . rr_1bbl 1
305 1 . . . rr_1bbl 1
306 1 . . . rr_1bbl 1
307 1 . . . rr_1bbl 1
308 1 . . . rr_1bbl 1
309 1 . . . rr_1bbl 1
310 1 . . . rr_1bbl 1
311 1 . . . rr_1bbl 1
312 1 2 . OR rr_1bbl 1
312 2 . 3 . rr_1bbl 1
312 3 . . . rr_1bbl 1
313 1 . . . rr_1bbl 1
314 1 . . . rr_1bbl 1
315 1 . . . rr_1bbl 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 TYR HA H . . . . 1 . HA rr_1bbl 1
1 1 . 2 . 1 1 1 1 TYR HB3 H . . . . 1 . HB1 rr_1bbl 1
2 1 . 1 . 1 1 1 1 TYR HA H . . . . 1 . HA rr_1bbl 1
2 1 . 2 . 1 1 1 1 TYR HB2 H . . . . 1 . HB2 rr_1bbl 1
3 1 . 1 . 1 1 1 1 TYR HA H . . . . 1 . HA rr_1bbl 1
3 1 . 2 . 1 1 1 1 TYR QD H . . . . 1 . HD# rr_1bbl 1
4 1 . 1 . 1 1 1 1 TYR HB3 H . . . . 1 . HB1 rr_1bbl 1
4 1 . 2 . 1 1 1 1 TYR QD H . . . . 1 . HD# rr_1bbl 1
5 1 . 1 . 1 1 1 1 TYR HB2 H . . . . 1 . HB2 rr_1bbl 1
5 1 . 2 . 1 1 1 1 TYR QD H . . . . 1 . HD# rr_1bbl 1
6 1 . 1 . 1 1 2 2 ALA H H . . . . 2 . HN rr_1bbl 1
6 1 . 2 . 1 1 2 2 ALA HA H . . . . 2 . HA rr_1bbl 1
7 1 . 1 . 1 1 2 2 ALA H H . . . . 2 . HN rr_1bbl 1
7 1 . 2 . 1 1 2 2 ALA MB H . . . . 2 . HB# rr_1bbl 1
8 1 . 1 . 1 1 2 2 ALA HA H . . . . 2 . HA rr_1bbl 1
8 1 . 2 . 1 1 2 2 ALA MB H . . . . 2 . HB# rr_1bbl 1
9 1 . 1 . 1 1 3 3 SER H H . . . . 3 . HN rr_1bbl 1
9 1 . 2 . 1 1 3 3 SER HA H . . . . 3 . HA rr_1bbl 1
10 2 . 1 . 1 1 3 3 SER H H . . . . 3 . HN rr_1bbl 1
10 2 . 2 . 1 1 3 3 SER HB2 H . . . . 3 . HB# rr_1bbl 1
10 3 . 1 . 1 1 3 3 SER H H . . . . 3 . HN rr_1bbl 1
10 3 . 2 . 1 1 3 3 SER HB3 H . . . . 3 . HB# rr_1bbl 1
11 1 . 1 . 1 1 3 3 SER HA H . . . . 3 . HA rr_1bbl 1
11 1 . 2 . 1 1 3 3 SER HB3 H . . . . 3 . HB1 rr_1bbl 1
12 1 . 1 . 1 1 3 3 SER HA H . . . . 3 . HA rr_1bbl 1
12 1 . 2 . 1 1 3 3 SER HB2 H . . . . 3 . HB2 rr_1bbl 1
13 1 . 1 . 1 1 4 4 LEU H H . . . . 4 . HN rr_1bbl 1
13 1 . 2 . 1 1 4 4 LEU HA H . . . . 4 . HA rr_1bbl 1
14 2 . 1 . 1 1 4 4 LEU H H . . . . 4 . HN rr_1bbl 1
14 2 . 2 . 1 1 4 4 LEU HB2 H . . . . 4 . HB# rr_1bbl 1
14 3 . 1 . 1 1 4 4 LEU H H . . . . 4 . HN rr_1bbl 1
14 3 . 2 . 1 1 4 4 LEU HB3 H . . . . 4 . HB# rr_1bbl 1
15 1 . 1 . 1 1 4 4 LEU H H . . . . 4 . HN rr_1bbl 1
15 1 . 2 . 1 1 4 4 LEU MD1 H . . . . 4 . HD1# rr_1bbl 1
16 1 . 1 . 1 1 4 4 LEU H H . . . . 4 . HN rr_1bbl 1
16 1 . 2 . 1 1 4 4 LEU MD2 H . . . . 4 . HD2# rr_1bbl 1
17 2 . 1 . 1 1 4 4 LEU HA H . . . . 4 . HA rr_1bbl 1
17 2 . 2 . 1 1 4 4 LEU HB2 H . . . . 4 . HB# rr_1bbl 1
17 3 . 1 . 1 1 4 4 LEU HA H . . . . 4 . HA rr_1bbl 1
17 3 . 2 . 1 1 4 4 LEU HB3 H . . . . 4 . HB# rr_1bbl 1
18 2 . 1 . 1 1 4 4 LEU HA H . . . . 4 . HA rr_1bbl 1
18 2 . 2 . 1 1 4 4 LEU MD2 H . . . . 4 . HD* rr_1bbl 1
18 3 . 1 . 1 1 4 4 LEU HA H . . . . 4 . HA rr_1bbl 1
18 3 . 2 . 1 1 4 4 LEU MD1 H . . . . 4 . HD* rr_1bbl 1
19 2 . 1 . 1 1 4 4 LEU HB3 H . . . . 4 . HB# rr_1bbl 1
19 2 . 2 . 1 1 4 4 LEU MD1 H . . . . 4 . HD1# rr_1bbl 1
19 3 . 1 . 1 1 4 4 LEU HB2 H . . . . 4 . HB# rr_1bbl 1
19 3 . 2 . 1 1 4 4 LEU MD1 H . . . . 4 . HD1# rr_1bbl 1
20 2 . 1 . 1 1 4 4 LEU HB3 H . . . . 4 . HB# rr_1bbl 1
20 2 . 2 . 1 1 4 4 LEU MD2 H . . . . 4 . HD2# rr_1bbl 1
20 3 . 1 . 1 1 4 4 LEU HB2 H . . . . 4 . HB# rr_1bbl 1
20 3 . 2 . 1 1 4 4 LEU MD2 H . . . . 4 . HD2# rr_1bbl 1
21 1 . 1 . 1 1 5 5 GLU H H . . . . 5 . HN rr_1bbl 1
21 1 . 2 . 1 1 5 5 GLU HA H . . . . 5 . HA rr_1bbl 1
22 2 . 1 . 1 1 5 5 GLU H H . . . . 5 . HN rr_1bbl 1
22 2 . 2 . 1 1 5 5 GLU HB2 H . . . . 5 . HB# rr_1bbl 1
22 3 . 1 . 1 1 5 5 GLU H H . . . . 5 . HN rr_1bbl 1
22 3 . 2 . 1 1 5 5 GLU HB3 H . . . . 5 . HB# rr_1bbl 1
23 2 . 1 . 1 1 5 5 GLU H H . . . . 5 . HN rr_1bbl 1
23 2 . 2 . 1 1 5 5 GLU HG2 H . . . . 5 . HG# rr_1bbl 1
23 3 . 1 . 1 1 5 5 GLU H H . . . . 5 . HN rr_1bbl 1
23 3 . 2 . 1 1 5 5 GLU HG3 H . . . . 5 . HG# rr_1bbl 1
24 2 . 1 . 1 1 5 5 GLU HA H . . . . 5 . HA rr_1bbl 1
24 2 . 2 . 1 1 5 5 GLU HB2 H . . . . 5 . HB# rr_1bbl 1
24 3 . 1 . 1 1 5 5 GLU HA H . . . . 5 . HA rr_1bbl 1
24 3 . 2 . 1 1 5 5 GLU HB3 H . . . . 5 . HB# rr_1bbl 1
25 2 . 1 . 1 1 5 5 GLU HA H . . . . 5 . HA rr_1bbl 1
25 2 . 2 . 1 1 5 5 GLU HG2 H . . . . 5 . HG# rr_1bbl 1
25 3 . 1 . 1 1 5 5 GLU HA H . . . . 5 . HA rr_1bbl 1
25 3 . 2 . 1 1 5 5 GLU HG3 H . . . . 5 . HG# rr_1bbl 1
26 1 . 1 . 1 1 6 6 GLU H H . . . . 6 . HN rr_1bbl 1
26 1 . 2 . 1 1 6 6 GLU HA H . . . . 6 . HA rr_1bbl 1
27 2 . 1 . 1 1 6 6 GLU H H . . . . 6 . HN rr_1bbl 1
27 2 . 2 . 1 1 6 6 GLU HB2 H . . . . 6 . HB# rr_1bbl 1
27 3 . 1 . 1 1 6 6 GLU H H . . . . 6 . HN rr_1bbl 1
27 3 . 2 . 1 1 6 6 GLU HB3 H . . . . 6 . HB# rr_1bbl 1
28 2 . 1 . 1 1 6 6 GLU H H . . . . 6 . HN rr_1bbl 1
28 2 . 2 . 1 1 6 6 GLU HG2 H . . . . 6 . HG# rr_1bbl 1
28 3 . 1 . 1 1 6 6 GLU H H . . . . 6 . HN rr_1bbl 1
28 3 . 2 . 1 1 6 6 GLU HG3 H . . . . 6 . HG# rr_1bbl 1
29 2 . 1 . 1 1 6 6 GLU HA H . . . . 6 . HA rr_1bbl 1
29 2 . 2 . 1 1 6 6 GLU HB2 H . . . . 6 . HB# rr_1bbl 1
29 3 . 1 . 1 1 6 6 GLU HA H . . . . 6 . HA rr_1bbl 1
29 3 . 2 . 1 1 6 6 GLU HB3 H . . . . 6 . HB# rr_1bbl 1
30 2 . 1 . 1 1 6 6 GLU HA H . . . . 6 . HA rr_1bbl 1
30 2 . 2 . 1 1 6 6 GLU HG2 H . . . . 6 . HG# rr_1bbl 1
30 3 . 1 . 1 1 6 6 GLU HA H . . . . 6 . HA rr_1bbl 1
30 3 . 2 . 1 1 6 6 GLU HG3 H . . . . 6 . HG# rr_1bbl 1
31 1 . 1 . 1 1 7 7 GLN H H . . . . 7 . HN rr_1bbl 1
31 1 . 2 . 1 1 7 7 GLN HA H . . . . 7 . HA rr_1bbl 1
32 2 . 1 . 1 1 7 7 GLN H H . . . . 7 . HN rr_1bbl 1
32 2 . 2 . 1 1 7 7 GLN HB3 H . . . . 7 . HB# rr_1bbl 1
32 3 . 1 . 1 1 7 7 GLN H H . . . . 7 . HN rr_1bbl 1
32 3 . 2 . 1 1 7 7 GLN HB2 H . . . . 7 . HB# rr_1bbl 1
33 2 . 1 . 1 1 7 7 GLN H H . . . . 7 . HN rr_1bbl 1
33 2 . 2 . 1 1 7 7 GLN HG2 H . . . . 7 . HG# rr_1bbl 1
33 3 . 1 . 1 1 7 7 GLN H H . . . . 7 . HN rr_1bbl 1
33 3 . 2 . 1 1 7 7 GLN HG3 H . . . . 7 . HG# rr_1bbl 1
34 1 . 1 . 1 1 7 7 GLN HA H . . . . 7 . HA rr_1bbl 1
34 1 . 2 . 1 1 7 7 GLN HB3 H . . . . 7 . HB1 rr_1bbl 1
35 1 . 1 . 1 1 7 7 GLN HA H . . . . 7 . HA rr_1bbl 1
35 1 . 2 . 1 1 7 7 GLN HB2 H . . . . 7 . HB2 rr_1bbl 1
36 2 . 1 . 1 1 7 7 GLN HA H . . . . 7 . HA rr_1bbl 1
36 2 . 2 . 1 1 7 7 GLN HG2 H . . . . 7 . HG# rr_1bbl 1
36 3 . 1 . 1 1 7 7 GLN HA H . . . . 7 . HA rr_1bbl 1
36 3 . 2 . 1 1 7 7 GLN HG3 H . . . . 7 . HG# rr_1bbl 1
37 2 . 1 . 1 1 7 7 GLN HG2 H . . . . 7 . HG# rr_1bbl 1
37 2 . 2 . 1 1 7 7 GLN HE21 H . . . . 7 . HE21 rr_1bbl 1
37 3 . 1 . 1 1 7 7 GLN HG3 H . . . . 7 . HG# rr_1bbl 1
37 3 . 2 . 1 1 7 7 GLN HE21 H . . . . 7 . HE21 rr_1bbl 1
38 1 . 1 . 1 1 8 8 ASN H H . . . . 8 . HN rr_1bbl 1
38 1 . 2 . 1 1 8 8 ASN HA H . . . . 8 . HA rr_1bbl 1
39 2 . 1 . 1 1 8 8 ASN H H . . . . 8 . HN rr_1bbl 1
39 2 . 2 . 1 1 8 8 ASN HB3 H . . . . 8 . HB# rr_1bbl 1
39 3 . 1 . 1 1 8 8 ASN H H . . . . 8 . HN rr_1bbl 1
39 3 . 2 . 1 1 8 8 ASN HB2 H . . . . 8 . HB# rr_1bbl 1
40 2 . 1 . 1 1 8 8 ASN H H . . . . 8 . HN rr_1bbl 1
40 2 . 2 . 1 1 8 8 ASN HD21 H . . . . 8 . HD2# rr_1bbl 1
40 3 . 1 . 1 1 8 8 ASN H H . . . . 8 . HN rr_1bbl 1
40 3 . 2 . 1 1 8 8 ASN HD22 H . . . . 8 . HD2# rr_1bbl 1
41 1 . 1 . 1 1 8 8 ASN HA H . . . . 8 . HA rr_1bbl 1
41 1 . 2 . 1 1 8 8 ASN HB3 H . . . . 8 . HB1 rr_1bbl 1
42 1 . 1 . 1 1 8 8 ASN HA H . . . . 8 . HA rr_1bbl 1
42 1 . 2 . 1 1 8 8 ASN HB2 H . . . . 8 . HB2 rr_1bbl 1
43 1 . 1 . 1 1 8 8 ASN HB3 H . . . . 8 . HB1 rr_1bbl 1
43 1 . 2 . 1 1 8 8 ASN HD21 H . . . . 8 . HD21 rr_1bbl 1
44 1 . 1 . 1 1 8 8 ASN HB2 H . . . . 8 . HB2 rr_1bbl 1
44 1 . 2 . 1 1 8 8 ASN HD21 H . . . . 8 . HD21 rr_1bbl 1
45 1 . 1 . 1 1 9 9 ASN H H . . . . 9 . HN rr_1bbl 1
45 1 . 2 . 1 1 9 9 ASN HA H . . . . 9 . HA rr_1bbl 1
46 2 . 1 . 1 1 9 9 ASN H H . . . . 9 . HN rr_1bbl 1
46 2 . 2 . 1 1 9 9 ASN HB3 H . . . . 9 . HB# rr_1bbl 1
46 3 . 1 . 1 1 9 9 ASN H H . . . . 9 . HN rr_1bbl 1
46 3 . 2 . 1 1 9 9 ASN HB2 H . . . . 9 . HB# rr_1bbl 1
47 2 . 1 . 1 1 9 9 ASN H H . . . . 9 . HN rr_1bbl 1
47 2 . 2 . 1 1 9 9 ASN HD21 H . . . . 9 . HD2# rr_1bbl 1
47 3 . 1 . 1 1 9 9 ASN H H . . . . 9 . HN rr_1bbl 1
47 3 . 2 . 1 1 9 9 ASN HD22 H . . . . 9 . HD2# rr_1bbl 1
48 1 . 1 . 1 1 9 9 ASN HA H . . . . 9 . HA rr_1bbl 1
48 1 . 2 . 1 1 9 9 ASN HB3 H . . . . 9 . HB1 rr_1bbl 1
49 1 . 1 . 1 1 9 9 ASN HA H . . . . 9 . HA rr_1bbl 1
49 1 . 2 . 1 1 9 9 ASN HB2 H . . . . 9 . HB2 rr_1bbl 1
50 1 . 1 . 1 1 9 9 ASN HB3 H . . . . 9 . HB1 rr_1bbl 1
50 1 . 2 . 1 1 9 9 ASN HD21 H . . . . 9 . HD21 rr_1bbl 1
51 1 . 1 . 1 1 9 9 ASN HB2 H . . . . 9 . HB2 rr_1bbl 1
51 1 . 2 . 1 1 9 9 ASN HD21 H . . . . 9 . HD21 rr_1bbl 1
52 1 . 1 . 1 1 10 10 ASP H H . . . . 10 . HN rr_1bbl 1
52 1 . 2 . 1 1 10 10 ASP HA H . . . . 10 . HA rr_1bbl 1
53 2 . 1 . 1 1 10 10 ASP H H . . . . 10 . HN rr_1bbl 1
53 2 . 2 . 1 1 10 10 ASP HB2 H . . . . 10 . HB# rr_1bbl 1
53 3 . 1 . 1 1 10 10 ASP H H . . . . 10 . HN rr_1bbl 1
53 3 . 2 . 1 1 10 10 ASP HB3 H . . . . 10 . HB# rr_1bbl 1
54 2 . 1 . 1 1 10 10 ASP HA H . . . . 10 . HA rr_1bbl 1
54 2 . 2 . 1 1 10 10 ASP HB2 H . . . . 10 . HB# rr_1bbl 1
54 3 . 1 . 1 1 10 10 ASP HA H . . . . 10 . HA rr_1bbl 1
54 3 . 2 . 1 1 10 10 ASP HB3 H . . . . 10 . HB# rr_1bbl 1
55 1 . 1 . 1 1 11 11 ALA H H . . . . 11 . HN rr_1bbl 1
55 1 . 2 . 1 1 11 11 ALA HA H . . . . 11 . HA rr_1bbl 1
56 1 . 1 . 1 1 11 11 ALA H H . . . . 11 . HN rr_1bbl 1
56 1 . 2 . 1 1 11 11 ALA MB H . . . . 11 . HB# rr_1bbl 1
57 1 . 1 . 1 1 11 11 ALA HA H . . . . 11 . HA rr_1bbl 1
57 1 . 2 . 1 1 11 11 ALA MB H . . . . 11 . HB# rr_1bbl 1
58 1 . 1 . 1 1 12 12 LEU H H . . . . 12 . HN rr_1bbl 1
58 1 . 2 . 1 1 12 12 LEU HA H . . . . 12 . HA rr_1bbl 1
59 1 . 1 . 1 1 12 12 LEU H H . . . . 12 . HN rr_1bbl 1
59 1 . 2 . 1 1 12 12 LEU HB3 H . . . . 12 . HB1 rr_1bbl 1
60 1 . 1 . 1 1 12 12 LEU H H . . . . 12 . HN rr_1bbl 1
60 1 . 2 . 1 1 12 12 LEU HB2 H . . . . 12 . HB2 rr_1bbl 1
61 1 . 1 . 1 1 12 12 LEU H H . . . . 12 . HN rr_1bbl 1
61 1 . 2 . 1 1 12 12 LEU HG H . . . . 12 . HG rr_1bbl 1
62 2 . 1 . 1 1 12 12 LEU H H . . . . 12 . HN rr_1bbl 1
62 2 . 2 . 1 1 12 12 LEU MD1 H . . . . 12 . HD* rr_1bbl 1
62 3 . 1 . 1 1 12 12 LEU H H . . . . 12 . HN rr_1bbl 1
62 3 . 2 . 1 1 12 12 LEU MD2 H . . . . 12 . HD* rr_1bbl 1
63 1 . 1 . 1 1 12 12 LEU HA H . . . . 12 . HA rr_1bbl 1
63 1 . 2 . 1 1 12 12 LEU HB3 H . . . . 12 . HB1 rr_1bbl 1
64 1 . 1 . 1 1 12 12 LEU HA H . . . . 12 . HA rr_1bbl 1
64 1 . 2 . 1 1 12 12 LEU HB2 H . . . . 12 . HB2 rr_1bbl 1
65 1 . 1 . 1 1 12 12 LEU HA H . . . . 12 . HA rr_1bbl 1
65 1 . 2 . 1 1 12 12 LEU HG H . . . . 12 . HG rr_1bbl 1
66 2 . 1 . 1 1 12 12 LEU HA H . . . . 12 . HA rr_1bbl 1
66 2 . 2 . 1 1 12 12 LEU MD1 H . . . . 12 . HD* rr_1bbl 1
66 3 . 1 . 1 1 12 12 LEU HA H . . . . 12 . HA rr_1bbl 1
66 3 . 2 . 1 1 12 12 LEU MD2 H . . . . 12 . HD* rr_1bbl 1
67 1 . 1 . 1 1 13 13 SER H H . . . . 13 . HN rr_1bbl 1
67 1 . 2 . 1 1 13 13 SER HA H . . . . 13 . HA rr_1bbl 1
68 2 . 1 . 1 1 13 13 SER H H . . . . 13 . HN rr_1bbl 1
68 2 . 2 . 1 1 13 13 SER HB2 H . . . . 13 . HB# rr_1bbl 1
68 3 . 1 . 1 1 13 13 SER H H . . . . 13 . HN rr_1bbl 1
68 3 . 2 . 1 1 13 13 SER HB3 H . . . . 13 . HB# rr_1bbl 1
69 1 . 1 . 1 1 13 13 SER HA H . . . . 13 . HA rr_1bbl 1
69 1 . 2 . 1 1 13 13 SER HB3 H . . . . 13 . HB1 rr_1bbl 1
70 1 . 1 . 1 1 13 13 SER HA H . . . . 13 . HA rr_1bbl 1
70 1 . 2 . 1 1 13 13 SER HB2 H . . . . 13 . HB2 rr_1bbl 1
71 1 . 1 . 1 1 14 14 PRO HA H . . . . 14 . HA rr_1bbl 1
71 1 . 2 . 1 1 14 14 PRO HB3 H . . . . 14 . HB1 rr_1bbl 1
72 2 . 1 . 1 1 14 14 PRO HA H . . . . 14 . HA rr_1bbl 1
72 2 . 2 . 1 1 14 14 PRO HG2 H . . . . 14 . HG# rr_1bbl 1
72 3 . 1 . 1 1 14 14 PRO HA H . . . . 14 . HA rr_1bbl 1
72 3 . 2 . 1 1 14 14 PRO HG3 H . . . . 14 . HG# rr_1bbl 1
73 2 . 1 . 1 1 14 14 PRO HB3 H . . . . 14 . HB1 rr_1bbl 1
73 2 . 2 . 1 1 14 14 PRO HD3 H . . . . 14 . HD# rr_1bbl 1
73 3 . 1 . 1 1 14 14 PRO HB3 H . . . . 14 . HB1 rr_1bbl 1
73 3 . 2 . 1 1 14 14 PRO HD2 H . . . . 14 . HD# rr_1bbl 1
74 1 . 1 . 1 1 15 15 ALA H H . . . . 15 . HN rr_1bbl 1
74 1 . 2 . 1 1 15 15 ALA HA H . . . . 15 . HA rr_1bbl 1
75 1 . 1 . 1 1 15 15 ALA H H . . . . 15 . HN rr_1bbl 1
75 1 . 2 . 1 1 15 15 ALA MB H . . . . 15 . HB# rr_1bbl 1
76 1 . 1 . 1 1 15 15 ALA HA H . . . . 15 . HA rr_1bbl 1
76 1 . 2 . 1 1 15 15 ALA MB H . . . . 15 . HB# rr_1bbl 1
77 1 . 1 . 1 1 16 16 ILE H H . . . . 16 . HN rr_1bbl 1
77 1 . 2 . 1 1 16 16 ILE HA H . . . . 16 . HA rr_1bbl 1
78 1 . 1 . 1 1 16 16 ILE H H . . . . 16 . HN rr_1bbl 1
78 1 . 2 . 1 1 16 16 ILE HB H . . . . 16 . HB rr_1bbl 1
79 1 . 1 . 1 1 16 16 ILE H H . . . . 16 . HN rr_1bbl 1
79 1 . 2 . 1 1 16 16 ILE HG13 H . . . . 16 . HG11 rr_1bbl 1
80 1 . 1 . 1 1 16 16 ILE H H . . . . 16 . HN rr_1bbl 1
80 1 . 2 . 1 1 16 16 ILE HG12 H . . . . 16 . HG12 rr_1bbl 1
81 1 . 1 . 1 1 16 16 ILE H H . . . . 16 . HN rr_1bbl 1
81 1 . 2 . 1 1 16 16 ILE MG H . . . . 16 . HG2# rr_1bbl 1
82 1 . 1 . 1 1 16 16 ILE H H . . . . 16 . HN rr_1bbl 1
82 1 . 2 . 1 1 16 16 ILE MD H . . . . 16 . HD# rr_1bbl 1
83 1 . 1 . 1 1 16 16 ILE HA H . . . . 16 . HA rr_1bbl 1
83 1 . 2 . 1 1 16 16 ILE HB H . . . . 16 . HB rr_1bbl 1
84 1 . 1 . 1 1 16 16 ILE HA H . . . . 16 . HA rr_1bbl 1
84 1 . 2 . 1 1 16 16 ILE HG13 H . . . . 16 . HG11 rr_1bbl 1
85 1 . 1 . 1 1 16 16 ILE HA H . . . . 16 . HA rr_1bbl 1
85 1 . 2 . 1 1 16 16 ILE HG12 H . . . . 16 . HG12 rr_1bbl 1
86 1 . 1 . 1 1 16 16 ILE HA H . . . . 16 . HA rr_1bbl 1
86 1 . 2 . 1 1 16 16 ILE MG H . . . . 16 . HG2# rr_1bbl 1
87 1 . 1 . 1 1 16 16 ILE HA H . . . . 16 . HA rr_1bbl 1
87 1 . 2 . 1 1 16 16 ILE MD H . . . . 16 . HD# rr_1bbl 1
88 1 . 1 . 1 1 16 16 ILE HB H . . . . 16 . HB rr_1bbl 1
88 1 . 2 . 1 1 16 16 ILE MD H . . . . 16 . HD# rr_1bbl 1
89 1 . 1 . 1 1 17 17 ARG H H . . . . 17 . HN rr_1bbl 1
89 1 . 2 . 1 1 17 17 ARG HA H . . . . 17 . HA rr_1bbl 1
90 1 . 1 . 1 1 17 17 ARG H H . . . . 17 . HN rr_1bbl 1
90 1 . 2 . 1 1 17 17 ARG HB3 H . . . . 17 . HB1 rr_1bbl 1
91 1 . 1 . 1 1 17 17 ARG H H . . . . 17 . HN rr_1bbl 1
91 1 . 2 . 1 1 17 17 ARG HB2 H . . . . 17 . HB2 rr_1bbl 1
92 2 . 1 . 1 1 17 17 ARG H H . . . . 17 . HN rr_1bbl 1
92 2 . 2 . 1 1 17 17 ARG HG2 H . . . . 17 . HG# rr_1bbl 1
92 3 . 1 . 1 1 17 17 ARG H H . . . . 17 . HN rr_1bbl 1
92 3 . 2 . 1 1 17 17 ARG HG3 H . . . . 17 . HG# rr_1bbl 1
93 1 . 1 . 1 1 17 17 ARG HA H . . . . 17 . HA rr_1bbl 1
93 1 . 2 . 1 1 17 17 ARG HB3 H . . . . 17 . HB1 rr_1bbl 1
94 1 . 1 . 1 1 17 17 ARG HA H . . . . 17 . HA rr_1bbl 1
94 1 . 2 . 1 1 17 17 ARG HB2 H . . . . 17 . HB2 rr_1bbl 1
95 2 . 1 . 1 1 17 17 ARG HA H . . . . 17 . HA rr_1bbl 1
95 2 . 2 . 1 1 17 17 ARG HG2 H . . . . 17 . HG# rr_1bbl 1
95 3 . 1 . 1 1 17 17 ARG HA H . . . . 17 . HA rr_1bbl 1
95 3 . 2 . 1 1 17 17 ARG HG3 H . . . . 17 . HG# rr_1bbl 1
96 1 . 1 . 1 1 17 17 ARG HA H . . . . 17 . HA rr_1bbl 1
96 1 . 2 . 1 1 17 17 ARG HD3 H . . . . 17 . HD1 rr_1bbl 1
97 1 . 1 . 1 1 17 17 ARG HA H . . . . 17 . HA rr_1bbl 1
97 1 . 2 . 1 1 17 17 ARG HD2 H . . . . 17 . HD2 rr_1bbl 1
98 1 . 1 . 1 1 17 17 ARG HB3 H . . . . 17 . HB1 rr_1bbl 1
98 1 . 2 . 1 1 17 17 ARG HD3 H . . . . 17 . HD1 rr_1bbl 1
99 1 . 1 . 1 1 17 17 ARG HB2 H . . . . 17 . HB2 rr_1bbl 1
99 1 . 2 . 1 1 17 17 ARG HD3 H . . . . 17 . HD1 rr_1bbl 1
100 1 . 1 . 1 1 17 17 ARG HB3 H . . . . 17 . HB1 rr_1bbl 1
100 1 . 2 . 1 1 17 17 ARG HD2 H . . . . 17 . HD2 rr_1bbl 1
101 1 . 1 . 1 1 17 17 ARG HB2 H . . . . 17 . HB2 rr_1bbl 1
101 1 . 2 . 1 1 17 17 ARG HD2 H . . . . 17 . HD2 rr_1bbl 1
102 1 . 1 . 1 1 17 17 ARG HB2 H . . . . 17 . HB2 rr_1bbl 1
102 1 . 2 . 1 1 17 17 ARG HE H . . . . 17 . HE rr_1bbl 1
103 2 . 1 . 1 1 17 17 ARG HG2 H . . . . 17 . HG# rr_1bbl 1
103 2 . 2 . 1 1 17 17 ARG HE H . . . . 17 . HE rr_1bbl 1
103 3 . 1 . 1 1 17 17 ARG HG3 H . . . . 17 . HG# rr_1bbl 1
103 3 . 2 . 1 1 17 17 ARG HE H . . . . 17 . HE rr_1bbl 1
104 1 . 1 . 1 1 18 18 ARG H H . . . . 18 . HN rr_1bbl 1
104 1 . 2 . 1 1 18 18 ARG HA H . . . . 18 . HA rr_1bbl 1
105 1 . 1 . 1 1 18 18 ARG H H . . . . 18 . HN rr_1bbl 1
105 1 . 2 . 1 1 18 18 ARG HB3 H . . . . 18 . HB1 rr_1bbl 1
106 1 . 1 . 1 1 18 18 ARG H H . . . . 18 . HN rr_1bbl 1
106 1 . 2 . 1 1 18 18 ARG HB2 H . . . . 18 . HB2 rr_1bbl 1
107 2 . 1 . 1 1 18 18 ARG H H . . . . 18 . HN rr_1bbl 1
107 2 . 2 . 1 1 18 18 ARG HG2 H . . . . 18 . HG# rr_1bbl 1
107 3 . 1 . 1 1 18 18 ARG H H . . . . 18 . HN rr_1bbl 1
107 3 . 2 . 1 1 18 18 ARG HG3 H . . . . 18 . HG# rr_1bbl 1
108 1 . 1 . 1 1 18 18 ARG HA H . . . . 18 . HA rr_1bbl 1
108 1 . 2 . 1 1 18 18 ARG HB3 H . . . . 18 . HB1 rr_1bbl 1
109 1 . 1 . 1 1 18 18 ARG HA H . . . . 18 . HA rr_1bbl 1
109 1 . 2 . 1 1 18 18 ARG HB2 H . . . . 18 . HB2 rr_1bbl 1
110 2 . 1 . 1 1 18 18 ARG HA H . . . . 18 . HA rr_1bbl 1
110 2 . 2 . 1 1 18 18 ARG HD2 H . . . . 18 . HD# rr_1bbl 1
110 3 . 1 . 1 1 18 18 ARG HA H . . . . 18 . HA rr_1bbl 1
110 3 . 2 . 1 1 18 18 ARG HD3 H . . . . 18 . HD# rr_1bbl 1
111 2 . 1 . 1 1 18 18 ARG HB2 H . . . . 18 . HB2 rr_1bbl 1
111 2 . 2 . 1 1 18 18 ARG HD2 H . . . . 18 . HD# rr_1bbl 1
111 3 . 1 . 1 1 18 18 ARG HB2 H . . . . 18 . HB2 rr_1bbl 1
111 3 . 2 . 1 1 18 18 ARG HD3 H . . . . 18 . HD# rr_1bbl 1
112 2 . 1 . 1 1 18 18 ARG HB3 H . . . . 18 . HB1 rr_1bbl 1
112 2 . 2 . 1 1 18 18 ARG HD2 H . . . . 18 . HD# rr_1bbl 1
112 3 . 1 . 1 1 18 18 ARG HB3 H . . . . 18 . HB1 rr_1bbl 1
112 3 . 2 . 1 1 18 18 ARG HD3 H . . . . 18 . HD# rr_1bbl 1
113 1 . 1 . 1 1 19 19 LEU H H . . . . 19 . HN rr_1bbl 1
113 1 . 2 . 1 1 19 19 LEU HA H . . . . 19 . HA rr_1bbl 1
114 1 . 1 . 1 1 19 19 LEU H H . . . . 19 . HN rr_1bbl 1
114 1 . 2 . 1 1 19 19 LEU HB3 H . . . . 19 . HB1 rr_1bbl 1
115 1 . 1 . 1 1 19 19 LEU H H . . . . 19 . HN rr_1bbl 1
115 1 . 2 . 1 1 19 19 LEU HB2 H . . . . 19 . HB2 rr_1bbl 1
116 1 . 1 . 1 1 19 19 LEU H H . . . . 19 . HN rr_1bbl 1
116 1 . 2 . 1 1 19 19 LEU MD2 H . . . . 19 . HD2# rr_1bbl 1
117 1 . 1 . 1 1 19 19 LEU HA H . . . . 19 . HA rr_1bbl 1
117 1 . 2 . 1 1 19 19 LEU HB3 H . . . . 19 . HB1 rr_1bbl 1
118 1 . 1 . 1 1 19 19 LEU HA H . . . . 19 . HA rr_1bbl 1
118 1 . 2 . 1 1 19 19 LEU HB2 H . . . . 19 . HB2 rr_1bbl 1
119 1 . 1 . 1 1 19 19 LEU HA H . . . . 19 . HA rr_1bbl 1
119 1 . 2 . 1 1 19 19 LEU MD1 H . . . . 19 . HD1# rr_1bbl 1
120 1 . 1 . 1 1 19 19 LEU HA H . . . . 19 . HA rr_1bbl 1
120 1 . 2 . 1 1 19 19 LEU MD2 H . . . . 19 . HD2# rr_1bbl 1
121 1 . 1 . 1 1 19 19 LEU HB3 H . . . . 19 . HB1 rr_1bbl 1
121 1 . 2 . 1 1 19 19 LEU MD1 H . . . . 19 . HD1# rr_1bbl 1
122 1 . 1 . 1 1 19 19 LEU HB3 H . . . . 19 . HB1 rr_1bbl 1
122 1 . 2 . 1 1 19 19 LEU MD2 H . . . . 19 . HD2# rr_1bbl 1
123 1 . 1 . 1 1 19 19 LEU HB2 H . . . . 19 . HB2 rr_1bbl 1
123 1 . 2 . 1 1 19 19 LEU MD1 H . . . . 19 . HD1# rr_1bbl 1
124 1 . 1 . 1 1 19 19 LEU HB2 H . . . . 19 . HB2 rr_1bbl 1
124 1 . 2 . 1 1 19 19 LEU MD2 H . . . . 19 . HD2# rr_1bbl 1
125 1 . 1 . 1 1 20 20 LEU H H . . . . 20 . HN rr_1bbl 1
125 1 . 2 . 1 1 20 20 LEU HA H . . . . 20 . HA rr_1bbl 1
126 2 . 1 . 1 1 20 20 LEU H H . . . . 20 . HN rr_1bbl 1
126 2 . 2 . 1 1 20 20 LEU HB2 H . . . . 20 . HB# rr_1bbl 1
126 3 . 1 . 1 1 20 20 LEU H H . . . . 20 . HN rr_1bbl 1
126 3 . 2 . 1 1 20 20 LEU HB3 H . . . . 20 . HB# rr_1bbl 1
127 1 . 1 . 1 1 20 20 LEU H H . . . . 20 . HN rr_1bbl 1
127 1 . 2 . 1 1 20 20 LEU HG H . . . . 20 . HG rr_1bbl 1
128 1 . 1 . 1 1 20 20 LEU H H . . . . 20 . HN rr_1bbl 1
128 1 . 2 . 1 1 20 20 LEU MD1 H . . . . 20 . HD1# rr_1bbl 1
129 1 . 1 . 1 1 20 20 LEU H H . . . . 20 . HN rr_1bbl 1
129 1 . 2 . 1 1 20 20 LEU MD2 H . . . . 20 . HD2# rr_1bbl 1
130 1 . 1 . 1 1 20 20 LEU HA H . . . . 20 . HA rr_1bbl 1
130 1 . 2 . 1 1 20 20 LEU HB3 H . . . . 20 . HB1 rr_1bbl 1
131 1 . 1 . 1 1 20 20 LEU HA H . . . . 20 . HA rr_1bbl 1
131 1 . 2 . 1 1 20 20 LEU HB2 H . . . . 20 . HB2 rr_1bbl 1
132 1 . 1 . 1 1 20 20 LEU HA H . . . . 20 . HA rr_1bbl 1
132 1 . 2 . 1 1 20 20 LEU HG H . . . . 20 . HG rr_1bbl 1
133 1 . 1 . 1 1 20 20 LEU HA H . . . . 20 . HA rr_1bbl 1
133 1 . 2 . 1 1 20 20 LEU MD1 H . . . . 20 . HD1# rr_1bbl 1
134 1 . 1 . 1 1 20 20 LEU HA H . . . . 20 . HA rr_1bbl 1
134 1 . 2 . 1 1 20 20 LEU MD2 H . . . . 20 . HD2# rr_1bbl 1
135 2 . 1 . 1 1 20 20 LEU HB2 H . . . . 20 . HB# rr_1bbl 1
135 2 . 2 . 1 1 20 20 LEU MD1 H . . . . 20 . HD1# rr_1bbl 1
135 3 . 1 . 1 1 20 20 LEU HB3 H . . . . 20 . HB# rr_1bbl 1
135 3 . 2 . 1 1 20 20 LEU MD1 H . . . . 20 . HD1# rr_1bbl 1
136 2 . 1 . 1 1 20 20 LEU HB2 H . . . . 20 . HB# rr_1bbl 1
136 2 . 2 . 1 1 20 20 LEU MD2 H . . . . 20 . HD2# rr_1bbl 1
136 3 . 1 . 1 1 20 20 LEU HB3 H . . . . 20 . HB# rr_1bbl 1
136 3 . 2 . 1 1 20 20 LEU MD2 H . . . . 20 . HD2# rr_1bbl 1
137 1 . 1 . 1 1 21 21 ALA H H . . . . 21 . HN rr_1bbl 1
137 1 . 2 . 1 1 21 21 ALA HA H . . . . 21 . HA rr_1bbl 1
138 1 . 1 . 1 1 21 21 ALA H H . . . . 21 . HN rr_1bbl 1
138 1 . 2 . 1 1 21 21 ALA MB H . . . . 21 . HB# rr_1bbl 1
139 1 . 1 . 1 1 21 21 ALA HA H . . . . 21 . HA rr_1bbl 1
139 1 . 2 . 1 1 21 21 ALA MB H . . . . 21 . HB# rr_1bbl 1
140 1 . 1 . 1 1 22 22 GLU H H . . . . 22 . HN rr_1bbl 1
140 1 . 2 . 1 1 22 22 GLU HA H . . . . 22 . HA rr_1bbl 1
141 1 . 1 . 1 1 22 22 GLU H H . . . . 22 . HN rr_1bbl 1
141 1 . 2 . 1 1 22 22 GLU HB3 H . . . . 22 . HB1 rr_1bbl 1
142 1 . 1 . 1 1 22 22 GLU H H . . . . 22 . HN rr_1bbl 1
142 1 . 2 . 1 1 22 22 GLU HB2 H . . . . 22 . HB2 rr_1bbl 1
143 2 . 1 . 1 1 22 22 GLU H H . . . . 22 . HN rr_1bbl 1
143 2 . 2 . 1 1 22 22 GLU HG2 H . . . . 22 . HG# rr_1bbl 1
143 3 . 1 . 1 1 22 22 GLU H H . . . . 22 . HN rr_1bbl 1
143 3 . 2 . 1 1 22 22 GLU HG3 H . . . . 22 . HG# rr_1bbl 1
144 1 . 1 . 1 1 22 22 GLU HA H . . . . 22 . HA rr_1bbl 1
144 1 . 2 . 1 1 22 22 GLU HB3 H . . . . 22 . HB1 rr_1bbl 1
145 1 . 1 . 1 1 22 22 GLU HA H . . . . 22 . HA rr_1bbl 1
145 1 . 2 . 1 1 22 22 GLU HB2 H . . . . 22 . HB2 rr_1bbl 1
146 2 . 1 . 1 1 22 22 GLU HA H . . . . 22 . HA rr_1bbl 1
146 2 . 2 . 1 1 22 22 GLU HG2 H . . . . 22 . HG# rr_1bbl 1
146 3 . 1 . 1 1 22 22 GLU HA H . . . . 22 . HA rr_1bbl 1
146 3 . 2 . 1 1 22 22 GLU HG3 H . . . . 22 . HG# rr_1bbl 1
147 1 . 1 . 1 1 23 23 HIS H H . . . . 23 . HN rr_1bbl 1
147 1 . 2 . 1 1 23 23 HIS HA H . . . . 23 . HA rr_1bbl 1
148 1 . 1 . 1 1 23 23 HIS H H . . . . 23 . HN rr_1bbl 1
148 1 . 2 . 1 1 23 23 HIS HB3 H . . . . 23 . HB1 rr_1bbl 1
149 1 . 1 . 1 1 23 23 HIS H H . . . . 23 . HN rr_1bbl 1
149 1 . 2 . 1 1 23 23 HIS HB2 H . . . . 23 . HB2 rr_1bbl 1
150 1 . 1 . 1 1 23 23 HIS H H . . . . 23 . HN rr_1bbl 1
150 1 . 2 . 1 1 23 23 HIS HD2 H . . . . 23 . HD2 rr_1bbl 1
151 1 . 1 . 1 1 23 23 HIS HA H . . . . 23 . HA rr_1bbl 1
151 1 . 2 . 1 1 23 23 HIS HB3 H . . . . 23 . HB1 rr_1bbl 1
152 1 . 1 . 1 1 23 23 HIS HA H . . . . 23 . HA rr_1bbl 1
152 1 . 2 . 1 1 23 23 HIS HB2 H . . . . 23 . HB2 rr_1bbl 1
153 1 . 1 . 1 1 23 23 HIS HA H . . . . 23 . HA rr_1bbl 1
153 1 . 2 . 1 1 23 23 HIS HD2 H . . . . 23 . HD2 rr_1bbl 1
154 1 . 1 . 1 1 23 23 HIS HB3 H . . . . 23 . HB1 rr_1bbl 1
154 1 . 2 . 1 1 23 23 HIS HD2 H . . . . 23 . HD2 rr_1bbl 1
155 1 . 1 . 1 1 23 23 HIS HB2 H . . . . 23 . HB2 rr_1bbl 1
155 1 . 2 . 1 1 23 23 HIS HD2 H . . . . 23 . HD2 rr_1bbl 1
156 1 . 1 . 1 1 23 23 HIS HA H . . . . 23 . HA rr_1bbl 1
156 1 . 2 . 1 1 23 23 HIS HE1 H . . . . 23 . HE1 rr_1bbl 1
157 1 . 1 . 1 1 23 23 HIS HB3 H . . . . 23 . HB1 rr_1bbl 1
157 1 . 2 . 1 1 23 23 HIS HE1 H . . . . 23 . HE1 rr_1bbl 1
158 1 . 1 . 1 1 24 24 ASN H H . . . . 24 . HN rr_1bbl 1
158 1 . 2 . 1 1 24 24 ASN HA H . . . . 24 . HA rr_1bbl 1
159 1 . 1 . 1 1 24 24 ASN H H . . . . 24 . HN rr_1bbl 1
159 1 . 2 . 1 1 24 24 ASN HB3 H . . . . 24 . HB1 rr_1bbl 1
160 1 . 1 . 1 1 24 24 ASN H H . . . . 24 . HN rr_1bbl 1
160 1 . 2 . 1 1 24 24 ASN HB2 H . . . . 24 . HB2 rr_1bbl 1
161 1 . 1 . 1 1 24 24 ASN HA H . . . . 24 . HA rr_1bbl 1
161 1 . 2 . 1 1 24 24 ASN HB3 H . . . . 24 . HB1 rr_1bbl 1
162 1 . 1 . 1 1 24 24 ASN HA H . . . . 24 . HA rr_1bbl 1
162 1 . 2 . 1 1 24 24 ASN HB2 H . . . . 24 . HB2 rr_1bbl 1
163 1 . 1 . 1 1 24 24 ASN HB3 H . . . . 24 . HB1 rr_1bbl 1
163 1 . 2 . 1 1 24 24 ASN HD21 H . . . . 24 . HD21 rr_1bbl 1
164 1 . 1 . 1 1 24 24 ASN HB2 H . . . . 24 . HB2 rr_1bbl 1
164 1 . 2 . 1 1 24 24 ASN HD21 H . . . . 24 . HD21 rr_1bbl 1
165 1 . 1 . 1 1 25 25 LEU H H . . . . 25 . HN rr_1bbl 1
165 1 . 2 . 1 1 25 25 LEU HA H . . . . 25 . HA rr_1bbl 1
166 1 . 1 . 1 1 25 25 LEU H H . . . . 25 . HN rr_1bbl 1
166 1 . 2 . 1 1 25 25 LEU HB3 H . . . . 25 . HB1 rr_1bbl 1
167 1 . 1 . 1 1 25 25 LEU H H . . . . 25 . HN rr_1bbl 1
167 1 . 2 . 1 1 25 25 LEU HB2 H . . . . 25 . HB2 rr_1bbl 1
168 1 . 1 . 1 1 25 25 LEU H H . . . . 25 . HN rr_1bbl 1
168 1 . 2 . 1 1 25 25 LEU HG H . . . . 25 . HG rr_1bbl 1
169 1 . 1 . 1 1 25 25 LEU H H . . . . 25 . HN rr_1bbl 1
169 1 . 2 . 1 1 25 25 LEU MD1 H . . . . 25 . HD1# rr_1bbl 1
170 1 . 1 . 1 1 25 25 LEU H H . . . . 25 . HN rr_1bbl 1
170 1 . 2 . 1 1 25 25 LEU MD2 H . . . . 25 . HD2# rr_1bbl 1
171 1 . 1 . 1 1 25 25 LEU HA H . . . . 25 . HA rr_1bbl 1
171 1 . 2 . 1 1 25 25 LEU HB3 H . . . . 25 . HB1 rr_1bbl 1
172 1 . 1 . 1 1 25 25 LEU HA H . . . . 25 . HA rr_1bbl 1
172 1 . 2 . 1 1 25 25 LEU HB2 H . . . . 25 . HB2 rr_1bbl 1
173 1 . 1 . 1 1 25 25 LEU HA H . . . . 25 . HA rr_1bbl 1
173 1 . 2 . 1 1 25 25 LEU MD1 H . . . . 25 . HD1# rr_1bbl 1
174 1 . 1 . 1 1 25 25 LEU HA H . . . . 25 . HA rr_1bbl 1
174 1 . 2 . 1 1 25 25 LEU MD2 H . . . . 25 . HD2# rr_1bbl 1
175 1 . 1 . 1 1 25 25 LEU HB2 H . . . . 25 . HB2 rr_1bbl 1
175 1 . 2 . 1 1 25 25 LEU MD1 H . . . . 25 . HD1# rr_1bbl 1
176 1 . 1 . 1 1 25 25 LEU HB2 H . . . . 25 . HB2 rr_1bbl 1
176 1 . 2 . 1 1 25 25 LEU MD2 H . . . . 25 . HD2# rr_1bbl 1
177 1 . 1 . 1 1 25 25 LEU HB3 H . . . . 25 . HB1 rr_1bbl 1
177 1 . 2 . 1 1 25 25 LEU MD1 H . . . . 25 . HD1# rr_1bbl 1
178 1 . 1 . 1 1 25 25 LEU HB3 H . . . . 25 . HB1 rr_1bbl 1
178 1 . 2 . 1 1 25 25 LEU MD2 H . . . . 25 . HD2# rr_1bbl 1
179 1 . 1 . 1 1 26 26 ASP H H . . . . 26 . HN rr_1bbl 1
179 1 . 2 . 1 1 26 26 ASP HA H . . . . 26 . HA rr_1bbl 1
180 1 . 1 . 1 1 26 26 ASP H H . . . . 26 . HN rr_1bbl 1
180 1 . 2 . 1 1 26 26 ASP HB3 H . . . . 26 . HB1 rr_1bbl 1
181 1 . 1 . 1 1 26 26 ASP H H . . . . 26 . HN rr_1bbl 1
181 1 . 2 . 1 1 26 26 ASP HB2 H . . . . 26 . HB2 rr_1bbl 1
182 1 . 1 . 1 1 26 26 ASP HA H . . . . 26 . HA rr_1bbl 1
182 1 . 2 . 1 1 26 26 ASP HB3 H . . . . 26 . HB1 rr_1bbl 1
183 1 . 1 . 1 1 26 26 ASP HA H . . . . 26 . HA rr_1bbl 1
183 1 . 2 . 1 1 26 26 ASP HB2 H . . . . 26 . HB2 rr_1bbl 1
184 1 . 1 . 1 1 27 27 ALA H H . . . . 27 . HN rr_1bbl 1
184 1 . 2 . 1 1 27 27 ALA HA H . . . . 27 . HA rr_1bbl 1
185 1 . 1 . 1 1 27 27 ALA H H . . . . 27 . HN rr_1bbl 1
185 1 . 2 . 1 1 27 27 ALA MB H . . . . 27 . HB# rr_1bbl 1
186 1 . 1 . 1 1 27 27 ALA HA H . . . . 27 . HA rr_1bbl 1
186 1 . 2 . 1 1 27 27 ALA MB H . . . . 27 . HB# rr_1bbl 1
187 1 . 1 . 1 1 28 28 SER H H . . . . 28 . HN rr_1bbl 1
187 1 . 2 . 1 1 28 28 SER HA H . . . . 28 . HA rr_1bbl 1
188 2 . 1 . 1 1 28 28 SER H H . . . . 28 . HN rr_1bbl 1
188 2 . 2 . 1 1 28 28 SER HB2 H . . . . 28 . HB# rr_1bbl 1
188 3 . 1 . 1 1 28 28 SER H H . . . . 28 . HN rr_1bbl 1
188 3 . 2 . 1 1 28 28 SER HB3 H . . . . 28 . HB# rr_1bbl 1
189 1 . 1 . 1 1 28 28 SER HA H . . . . 28 . HA rr_1bbl 1
189 1 . 2 . 1 1 28 28 SER HB3 H . . . . 28 . HB1 rr_1bbl 1
190 1 . 1 . 1 1 28 28 SER HA H . . . . 28 . HA rr_1bbl 1
190 1 . 2 . 1 1 28 28 SER HB2 H . . . . 28 . HB2 rr_1bbl 1
191 1 . 1 . 1 1 29 29 ALA H H . . . . 29 . HN rr_1bbl 1
191 1 . 2 . 1 1 29 29 ALA HA H . . . . 29 . HA rr_1bbl 1
192 1 . 1 . 1 1 29 29 ALA H H . . . . 29 . HN rr_1bbl 1
192 1 . 2 . 1 1 29 29 ALA MB H . . . . 29 . HB# rr_1bbl 1
193 1 . 1 . 1 1 29 29 ALA HA H . . . . 29 . HA rr_1bbl 1
193 1 . 2 . 1 1 29 29 ALA MB H . . . . 29 . HB# rr_1bbl 1
194 1 . 1 . 1 1 30 30 ILE H H . . . . 30 . HN rr_1bbl 1
194 1 . 2 . 1 1 30 30 ILE HA H . . . . 30 . HA rr_1bbl 1
195 1 . 1 . 1 1 30 30 ILE H H . . . . 30 . HN rr_1bbl 1
195 1 . 2 . 1 1 30 30 ILE HB H . . . . 30 . HB rr_1bbl 1
196 1 . 1 . 1 1 30 30 ILE H H . . . . 30 . HN rr_1bbl 1
196 1 . 2 . 1 1 30 30 ILE HG13 H . . . . 30 . HG11 rr_1bbl 1
197 1 . 1 . 1 1 30 30 ILE H H . . . . 30 . HN rr_1bbl 1
197 1 . 2 . 1 1 30 30 ILE HG12 H . . . . 30 . HG12 rr_1bbl 1
198 1 . 1 . 1 1 30 30 ILE H H . . . . 30 . HN rr_1bbl 1
198 1 . 2 . 1 1 30 30 ILE MG H . . . . 30 . HG2# rr_1bbl 1
199 1 . 1 . 1 1 30 30 ILE HA H . . . . 30 . HA rr_1bbl 1
199 1 . 2 . 1 1 30 30 ILE HB H . . . . 30 . HB rr_1bbl 1
200 1 . 1 . 1 1 30 30 ILE HA H . . . . 30 . HA rr_1bbl 1
200 1 . 2 . 1 1 30 30 ILE HG13 H . . . . 30 . HG11 rr_1bbl 1
201 1 . 1 . 1 1 30 30 ILE HA H . . . . 30 . HA rr_1bbl 1
201 1 . 2 . 1 1 30 30 ILE HG12 H . . . . 30 . HG12 rr_1bbl 1
202 1 . 1 . 1 1 30 30 ILE HA H . . . . 30 . HA rr_1bbl 1
202 1 . 2 . 1 1 30 30 ILE MG H . . . . 30 . HG2# rr_1bbl 1
203 1 . 1 . 1 1 30 30 ILE HA H . . . . 30 . HA rr_1bbl 1
203 1 . 2 . 1 1 30 30 ILE MD H . . . . 30 . HD# rr_1bbl 1
204 1 . 1 . 1 1 30 30 ILE HB H . . . . 30 . HB rr_1bbl 1
204 1 . 2 . 1 1 30 30 ILE MD H . . . . 30 . HD# rr_1bbl 1
205 1 . 1 . 1 1 31 31 LYS H H . . . . 31 . HN rr_1bbl 1
205 1 . 2 . 1 1 31 31 LYS HA H . . . . 31 . HA rr_1bbl 1
206 2 . 1 . 1 1 31 31 LYS H H . . . . 31 . HN rr_1bbl 1
206 2 . 2 . 1 1 31 31 LYS HB2 H . . . . 31 . HB# rr_1bbl 1
206 3 . 1 . 1 1 31 31 LYS H H . . . . 31 . HN rr_1bbl 1
206 3 . 2 . 1 1 31 31 LYS HB3 H . . . . 31 . HB# rr_1bbl 1
207 2 . 1 . 1 1 31 31 LYS HA H . . . . 31 . HA rr_1bbl 1
207 2 . 2 . 1 1 31 31 LYS HB2 H . . . . 31 . HB# rr_1bbl 1
207 3 . 1 . 1 1 31 31 LYS HA H . . . . 31 . HA rr_1bbl 1
207 3 . 2 . 1 1 31 31 LYS HB3 H . . . . 31 . HB# rr_1bbl 1
208 2 . 1 . 1 1 32 32 GLY H H . . . . 32 . HN rr_1bbl 1
208 2 . 2 . 1 1 32 32 GLY HA3 H . . . . 32 . HA# rr_1bbl 1
208 3 . 1 . 1 1 32 32 GLY H H . . . . 32 . HN rr_1bbl 1
208 3 . 2 . 1 1 32 32 GLY HA2 H . . . . 32 . HA# rr_1bbl 1
209 1 . 1 . 1 1 33 33 THR H H . . . . 33 . HN rr_1bbl 1
209 1 . 2 . 1 1 33 33 THR MG H . . . . 33 . HG2# rr_1bbl 1
210 1 . 1 . 1 1 33 33 THR HA H . . . . 33 . HA rr_1bbl 1
210 1 . 2 . 1 1 33 33 THR HB H . . . . 33 . HB rr_1bbl 1
211 1 . 1 . 1 1 33 33 THR HA H . . . . 33 . HA rr_1bbl 1
211 1 . 2 . 1 1 33 33 THR MG H . . . . 33 . HG2# rr_1bbl 1
212 1 . 1 . 1 1 33 33 THR HB H . . . . 33 . HB rr_1bbl 1
212 1 . 2 . 1 1 33 33 THR MG H . . . . 33 . HG2# rr_1bbl 1
213 2 . 1 . 1 1 34 34 GLY H H . . . . 34 . HN rr_1bbl 1
213 2 . 2 . 1 1 34 34 GLY HA3 H . . . . 34 . HA# rr_1bbl 1
213 3 . 1 . 1 1 34 34 GLY H H . . . . 34 . HN rr_1bbl 1
213 3 . 2 . 1 1 34 34 GLY HA2 H . . . . 34 . HA# rr_1bbl 1
214 1 . 1 . 1 1 35 35 VAL H H . . . . 35 . HN rr_1bbl 1
214 1 . 2 . 1 1 35 35 VAL HA H . . . . 35 . HA rr_1bbl 1
215 1 . 1 . 1 1 35 35 VAL H H . . . . 35 . HN rr_1bbl 1
215 1 . 2 . 1 1 35 35 VAL HB H . . . . 35 . HB rr_1bbl 1
216 1 . 1 . 1 1 35 35 VAL H H . . . . 35 . HN rr_1bbl 1
216 1 . 2 . 1 1 35 35 VAL MG1 H . . . . 35 . HG1# rr_1bbl 1
217 1 . 1 . 1 1 35 35 VAL H H . . . . 35 . HN rr_1bbl 1
217 1 . 2 . 1 1 35 35 VAL MG2 H . . . . 35 . HG2# rr_1bbl 1
218 1 . 1 . 1 1 35 35 VAL HA H . . . . 35 . HA rr_1bbl 1
218 1 . 2 . 1 1 35 35 VAL HB H . . . . 35 . HB rr_1bbl 1
219 1 . 1 . 1 1 35 35 VAL HA H . . . . 35 . HA rr_1bbl 1
219 1 . 2 . 1 1 35 35 VAL MG1 H . . . . 35 . HG1# rr_1bbl 1
220 1 . 1 . 1 1 35 35 VAL HA H . . . . 35 . HA rr_1bbl 1
220 1 . 2 . 1 1 35 35 VAL MG2 H . . . . 35 . HG2# rr_1bbl 1
221 2 . 1 . 1 1 36 36 GLY H H . . . . 36 . HN rr_1bbl 1
221 2 . 2 . 1 1 36 36 GLY HA3 H . . . . 36 . HA# rr_1bbl 1
221 3 . 1 . 1 1 36 36 GLY H H . . . . 36 . HN rr_1bbl 1
221 3 . 2 . 1 1 36 36 GLY HA2 H . . . . 36 . HA# rr_1bbl 1
222 1 . 1 . 1 1 37 37 GLY H H . . . . 37 . HN rr_1bbl 1
222 1 . 2 . 1 1 37 37 GLY HA3 H . . . . 37 . HA1 rr_1bbl 1
223 1 . 1 . 1 1 37 37 GLY H H . . . . 37 . HN rr_1bbl 1
223 1 . 2 . 1 1 37 37 GLY HA2 H . . . . 37 . HA2 rr_1bbl 1
224 1 . 1 . 1 1 38 38 ARG H H . . . . 38 . HN rr_1bbl 1
224 1 . 2 . 1 1 38 38 ARG HA H . . . . 38 . HA rr_1bbl 1
225 2 . 1 . 1 1 38 38 ARG H H . . . . 38 . HN rr_1bbl 1
225 2 . 2 . 1 1 38 38 ARG HB3 H . . . . 38 . HB# rr_1bbl 1
225 3 . 1 . 1 1 38 38 ARG H H . . . . 38 . HN rr_1bbl 1
225 3 . 2 . 1 1 38 38 ARG HB2 H . . . . 38 . HB# rr_1bbl 1
226 2 . 1 . 1 1 38 38 ARG H H . . . . 38 . HN rr_1bbl 1
226 2 . 2 . 1 1 38 38 ARG HG2 H . . . . 38 . HG# rr_1bbl 1
226 3 . 1 . 1 1 38 38 ARG H H . . . . 38 . HN rr_1bbl 1
226 3 . 2 . 1 1 38 38 ARG HG3 H . . . . 38 . HG# rr_1bbl 1
227 1 . 1 . 1 1 38 38 ARG HA H . . . . 38 . HA rr_1bbl 1
227 1 . 2 . 1 1 38 38 ARG HB3 H . . . . 38 . HB1 rr_1bbl 1
228 1 . 1 . 1 1 38 38 ARG HA H . . . . 38 . HA rr_1bbl 1
228 1 . 2 . 1 1 38 38 ARG HB2 H . . . . 38 . HB2 rr_1bbl 1
229 2 . 1 . 1 1 38 38 ARG HA H . . . . 38 . HA rr_1bbl 1
229 2 . 2 . 1 1 38 38 ARG HD2 H . . . . 38 . HD# rr_1bbl 1
229 3 . 1 . 1 1 38 38 ARG HA H . . . . 38 . HA rr_1bbl 1
229 3 . 2 . 1 1 38 38 ARG HD3 H . . . . 38 . HD# rr_1bbl 1
230 2 . 1 . 1 1 38 38 ARG HB3 H . . . . 38 . HB# rr_1bbl 1
230 2 . 2 . 1 1 38 38 ARG HE H . . . . 38 . HE rr_1bbl 1
230 3 . 1 . 1 1 38 38 ARG HB2 H . . . . 38 . HB# rr_1bbl 1
230 3 . 2 . 1 1 38 38 ARG HE H . . . . 38 . HE rr_1bbl 1
231 2 . 1 . 1 1 38 38 ARG HG2 H . . . . 38 . HG# rr_1bbl 1
231 2 . 2 . 1 1 38 38 ARG HE H . . . . 38 . HE rr_1bbl 1
231 3 . 1 . 1 1 38 38 ARG HG3 H . . . . 38 . HG# rr_1bbl 1
231 3 . 2 . 1 1 38 38 ARG HE H . . . . 38 . HE rr_1bbl 1
232 1 . 1 . 1 1 39 39 LEU H H . . . . 39 . HN rr_1bbl 1
232 1 . 2 . 1 1 39 39 LEU HA H . . . . 39 . HA rr_1bbl 1
233 1 . 1 . 1 1 39 39 LEU H H . . . . 39 . HN rr_1bbl 1
233 1 . 2 . 1 1 39 39 LEU HB3 H . . . . 39 . HB1 rr_1bbl 1
234 1 . 1 . 1 1 39 39 LEU H H . . . . 39 . HN rr_1bbl 1
234 1 . 2 . 1 1 39 39 LEU HB2 H . . . . 39 . HB2 rr_1bbl 1
235 1 . 1 . 1 1 39 39 LEU H H . . . . 39 . HN rr_1bbl 1
235 1 . 2 . 1 1 39 39 LEU MD1 H . . . . 39 . HD1# rr_1bbl 1
236 1 . 1 . 1 1 39 39 LEU H H . . . . 39 . HN rr_1bbl 1
236 1 . 2 . 1 1 39 39 LEU MD2 H . . . . 39 . HD2# rr_1bbl 1
237 1 . 1 . 1 1 39 39 LEU HA H . . . . 39 . HA rr_1bbl 1
237 1 . 2 . 1 1 39 39 LEU HB3 H . . . . 39 . HB1 rr_1bbl 1
238 1 . 1 . 1 1 39 39 LEU HA H . . . . 39 . HA rr_1bbl 1
238 1 . 2 . 1 1 39 39 LEU HB2 H . . . . 39 . HB2 rr_1bbl 1
239 1 . 1 . 1 1 39 39 LEU HA H . . . . 39 . HA rr_1bbl 1
239 1 . 2 . 1 1 39 39 LEU HG H . . . . 39 . HG rr_1bbl 1
240 1 . 1 . 1 1 39 39 LEU HA H . . . . 39 . HA rr_1bbl 1
240 1 . 2 . 1 1 39 39 LEU MD1 H . . . . 39 . HD1# rr_1bbl 1
241 1 . 1 . 1 1 39 39 LEU HA H . . . . 39 . HA rr_1bbl 1
241 1 . 2 . 1 1 39 39 LEU MD2 H . . . . 39 . HD2# rr_1bbl 1
242 1 . 1 . 1 1 40 40 THR H H . . . . 40 . HN rr_1bbl 1
242 1 . 2 . 1 1 40 40 THR HA H . . . . 40 . HA rr_1bbl 1
243 1 . 1 . 1 1 40 40 THR H H . . . . 40 . HN rr_1bbl 1
243 1 . 2 . 1 1 40 40 THR MG H . . . . 40 . HG2# rr_1bbl 1
244 1 . 1 . 1 1 40 40 THR HA H . . . . 40 . HA rr_1bbl 1
244 1 . 2 . 1 1 40 40 THR HB H . . . . 40 . HB rr_1bbl 1
245 1 . 1 . 1 1 40 40 THR HA H . . . . 40 . HA rr_1bbl 1
245 1 . 2 . 1 1 40 40 THR MG H . . . . 40 . HG2# rr_1bbl 1
246 1 . 1 . 1 1 40 40 THR HB H . . . . 40 . HB rr_1bbl 1
246 1 . 2 . 1 1 40 40 THR MG H . . . . 40 . HG2# rr_1bbl 1
247 1 . 1 . 1 1 41 41 ARG H H . . . . 41 . HN rr_1bbl 1
247 1 . 2 . 1 1 41 41 ARG HA H . . . . 41 . HA rr_1bbl 1
248 1 . 1 . 1 1 41 41 ARG H H . . . . 41 . HN rr_1bbl 1
248 1 . 2 . 1 1 41 41 ARG HB3 H . . . . 41 . HB1 rr_1bbl 1
249 1 . 1 . 1 1 41 41 ARG H H . . . . 41 . HN rr_1bbl 1
249 1 . 2 . 1 1 41 41 ARG HB2 H . . . . 41 . HB2 rr_1bbl 1
250 2 . 1 . 1 1 41 41 ARG H H . . . . 41 . HN rr_1bbl 1
250 2 . 2 . 1 1 41 41 ARG HG2 H . . . . 41 . HG# rr_1bbl 1
250 3 . 1 . 1 1 41 41 ARG H H . . . . 41 . HN rr_1bbl 1
250 3 . 2 . 1 1 41 41 ARG HG3 H . . . . 41 . HG# rr_1bbl 1
251 2 . 1 . 1 1 41 41 ARG H H . . . . 41 . HN rr_1bbl 1
251 2 . 2 . 1 1 41 41 ARG HD2 H . . . . 41 . HD# rr_1bbl 1
251 3 . 1 . 1 1 41 41 ARG H H . . . . 41 . HN rr_1bbl 1
251 3 . 2 . 1 1 41 41 ARG HD3 H . . . . 41 . HD# rr_1bbl 1
252 1 . 1 . 1 1 41 41 ARG HA H . . . . 41 . HA rr_1bbl 1
252 1 . 2 . 1 1 41 41 ARG HB3 H . . . . 41 . HB1 rr_1bbl 1
253 1 . 1 . 1 1 41 41 ARG HA H . . . . 41 . HA rr_1bbl 1
253 1 . 2 . 1 1 41 41 ARG HB2 H . . . . 41 . HB2 rr_1bbl 1
254 2 . 1 . 1 1 41 41 ARG HA H . . . . 41 . HA rr_1bbl 1
254 2 . 2 . 1 1 41 41 ARG HG2 H . . . . 41 . HG# rr_1bbl 1
254 3 . 1 . 1 1 41 41 ARG HA H . . . . 41 . HA rr_1bbl 1
254 3 . 2 . 1 1 41 41 ARG HG3 H . . . . 41 . HG# rr_1bbl 1
255 2 . 1 . 1 1 41 41 ARG HA H . . . . 41 . HA rr_1bbl 1
255 2 . 2 . 1 1 41 41 ARG HD2 H . . . . 41 . HD# rr_1bbl 1
255 3 . 1 . 1 1 41 41 ARG HA H . . . . 41 . HA rr_1bbl 1
255 3 . 2 . 1 1 41 41 ARG HD3 H . . . . 41 . HD# rr_1bbl 1
256 2 . 1 . 1 1 41 41 ARG HB2 H . . . . 41 . HB2 rr_1bbl 1
256 2 . 2 . 1 1 41 41 ARG HD2 H . . . . 41 . HD# rr_1bbl 1
256 3 . 1 . 1 1 41 41 ARG HB2 H . . . . 41 . HB2 rr_1bbl 1
256 3 . 2 . 1 1 41 41 ARG HD3 H . . . . 41 . HD# rr_1bbl 1
257 1 . 1 . 1 1 41 41 ARG HB2 H . . . . 41 . HB2 rr_1bbl 1
257 1 . 2 . 1 1 41 41 ARG HE H . . . . 41 . HE rr_1bbl 1
258 2 . 1 . 1 1 41 41 ARG HG2 H . . . . 41 . HG# rr_1bbl 1
258 2 . 2 . 1 1 41 41 ARG HE H . . . . 41 . HE rr_1bbl 1
258 3 . 1 . 1 1 41 41 ARG HG3 H . . . . 41 . HG# rr_1bbl 1
258 3 . 2 . 1 1 41 41 ARG HE H . . . . 41 . HE rr_1bbl 1
259 1 . 1 . 1 1 42 42 GLU H H . . . . 42 . HN rr_1bbl 1
259 1 . 2 . 1 1 42 42 GLU HA H . . . . 42 . HA rr_1bbl 1
260 1 . 1 . 1 1 42 42 GLU H H . . . . 42 . HN rr_1bbl 1
260 1 . 2 . 1 1 42 42 GLU HB3 H . . . . 42 . HB1 rr_1bbl 1
261 1 . 1 . 1 1 42 42 GLU H H . . . . 42 . HN rr_1bbl 1
261 1 . 2 . 1 1 42 42 GLU HB2 H . . . . 42 . HB2 rr_1bbl 1
262 2 . 1 . 1 1 42 42 GLU H H . . . . 42 . HN rr_1bbl 1
262 2 . 2 . 1 1 42 42 GLU HG2 H . . . . 42 . HG# rr_1bbl 1
262 3 . 1 . 1 1 42 42 GLU H H . . . . 42 . HN rr_1bbl 1
262 3 . 2 . 1 1 42 42 GLU HG3 H . . . . 42 . HG# rr_1bbl 1
263 1 . 1 . 1 1 42 42 GLU HA H . . . . 42 . HA rr_1bbl 1
263 1 . 2 . 1 1 42 42 GLU HB3 H . . . . 42 . HB1 rr_1bbl 1
264 1 . 1 . 1 1 42 42 GLU HA H . . . . 42 . HA rr_1bbl 1
264 1 . 2 . 1 1 42 42 GLU HB2 H . . . . 42 . HB2 rr_1bbl 1
265 2 . 1 . 1 1 42 42 GLU HA H . . . . 42 . HA rr_1bbl 1
265 2 . 2 . 1 1 42 42 GLU HG2 H . . . . 42 . HG# rr_1bbl 1
265 3 . 1 . 1 1 42 42 GLU HA H . . . . 42 . HA rr_1bbl 1
265 3 . 2 . 1 1 42 42 GLU HG3 H . . . . 42 . HG# rr_1bbl 1
266 1 . 1 . 1 1 43 43 ASP H H . . . . 43 . HN rr_1bbl 1
266 1 . 2 . 1 1 43 43 ASP HA H . . . . 43 . HA rr_1bbl 1
267 2 . 1 . 1 1 43 43 ASP H H . . . . 43 . HN rr_1bbl 1
267 2 . 2 . 1 1 43 43 ASP HB3 H . . . . 43 . HB# rr_1bbl 1
267 3 . 1 . 1 1 43 43 ASP H H . . . . 43 . HN rr_1bbl 1
267 3 . 2 . 1 1 43 43 ASP HB2 H . . . . 43 . HB# rr_1bbl 1
268 1 . 1 . 1 1 43 43 ASP HA H . . . . 43 . HA rr_1bbl 1
268 1 . 2 . 1 1 43 43 ASP HB3 H . . . . 43 . HB1 rr_1bbl 1
269 1 . 1 . 1 1 43 43 ASP HA H . . . . 43 . HA rr_1bbl 1
269 1 . 2 . 1 1 43 43 ASP HB2 H . . . . 43 . HB2 rr_1bbl 1
270 1 . 1 . 1 1 44 44 VAL H H . . . . 44 . HN rr_1bbl 1
270 1 . 2 . 1 1 44 44 VAL HA H . . . . 44 . HA rr_1bbl 1
271 1 . 1 . 1 1 44 44 VAL H H . . . . 44 . HN rr_1bbl 1
271 1 . 2 . 1 1 44 44 VAL HB H . . . . 44 . HB rr_1bbl 1
272 1 . 1 . 1 1 44 44 VAL H H . . . . 44 . HN rr_1bbl 1
272 1 . 2 . 1 1 44 44 VAL MG1 H . . . . 44 . HG1# rr_1bbl 1
273 1 . 1 . 1 1 44 44 VAL H H . . . . 44 . HN rr_1bbl 1
273 1 . 2 . 1 1 44 44 VAL MG2 H . . . . 44 . HG2# rr_1bbl 1
274 1 . 1 . 1 1 44 44 VAL HA H . . . . 44 . HA rr_1bbl 1
274 1 . 2 . 1 1 44 44 VAL HB H . . . . 44 . HB rr_1bbl 1
275 1 . 1 . 1 1 44 44 VAL HA H . . . . 44 . HA rr_1bbl 1
275 1 . 2 . 1 1 44 44 VAL MG1 H . . . . 44 . HG1# rr_1bbl 1
276 1 . 1 . 1 1 44 44 VAL HA H . . . . 44 . HA rr_1bbl 1
276 1 . 2 . 1 1 44 44 VAL MG2 H . . . . 44 . HG2# rr_1bbl 1
277 1 . 1 . 1 1 45 45 GLU H H . . . . 45 . HN rr_1bbl 1
277 1 . 2 . 1 1 45 45 GLU HA H . . . . 45 . HA rr_1bbl 1
278 1 . 1 . 1 1 45 45 GLU H H . . . . 45 . HN rr_1bbl 1
278 1 . 2 . 1 1 45 45 GLU HB3 H . . . . 45 . HB1 rr_1bbl 1
279 1 . 1 . 1 1 45 45 GLU H H . . . . 45 . HN rr_1bbl 1
279 1 . 2 . 1 1 45 45 GLU HB2 H . . . . 45 . HB2 rr_1bbl 1
280 2 . 1 . 1 1 45 45 GLU H H . . . . 45 . HN rr_1bbl 1
280 2 . 2 . 1 1 45 45 GLU HG2 H . . . . 45 . HG# rr_1bbl 1
280 3 . 1 . 1 1 45 45 GLU H H . . . . 45 . HN rr_1bbl 1
280 3 . 2 . 1 1 45 45 GLU HG3 H . . . . 45 . HG# rr_1bbl 1
281 2 . 1 . 1 1 45 45 GLU HA H . . . . 45 . HA rr_1bbl 1
281 2 . 2 . 1 1 45 45 GLU HB3 H . . . . 45 . HB# rr_1bbl 1
281 3 . 1 . 1 1 45 45 GLU HA H . . . . 45 . HA rr_1bbl 1
281 3 . 2 . 1 1 45 45 GLU HB2 H . . . . 45 . HB# rr_1bbl 1
282 2 . 1 . 1 1 45 45 GLU HA H . . . . 45 . HA rr_1bbl 1
282 2 . 2 . 1 1 45 45 GLU HG2 H . . . . 45 . HG# rr_1bbl 1
282 3 . 1 . 1 1 45 45 GLU HA H . . . . 45 . HA rr_1bbl 1
282 3 . 2 . 1 1 45 45 GLU HG3 H . . . . 45 . HG# rr_1bbl 1
283 1 . 1 . 1 1 46 46 LYS H H . . . . 46 . HN rr_1bbl 1
283 1 . 2 . 1 1 46 46 LYS HA H . . . . 46 . HA rr_1bbl 1
284 2 . 1 . 1 1 46 46 LYS H H . . . . 46 . HN rr_1bbl 1
284 2 . 2 . 1 1 46 46 LYS HB2 H . . . . 46 . HB# rr_1bbl 1
284 3 . 1 . 1 1 46 46 LYS H H . . . . 46 . HN rr_1bbl 1
284 3 . 2 . 1 1 46 46 LYS HB3 H . . . . 46 . HB# rr_1bbl 1
285 1 . 1 . 1 1 47 47 HIS H H . . . . 47 . HN rr_1bbl 1
285 1 . 2 . 1 1 47 47 HIS HA H . . . . 47 . HA rr_1bbl 1
286 1 . 1 . 1 1 47 47 HIS H H . . . . 47 . HN rr_1bbl 1
286 1 . 2 . 1 1 47 47 HIS HB3 H . . . . 47 . HB1 rr_1bbl 1
287 1 . 1 . 1 1 47 47 HIS H H . . . . 47 . HN rr_1bbl 1
287 1 . 2 . 1 1 47 47 HIS HB2 H . . . . 47 . HB2 rr_1bbl 1
288 1 . 1 . 1 1 47 47 HIS HA H . . . . 47 . HA rr_1bbl 1
288 1 . 2 . 1 1 47 47 HIS HB3 H . . . . 47 . HB1 rr_1bbl 1
289 1 . 1 . 1 1 47 47 HIS HA H . . . . 47 . HA rr_1bbl 1
289 1 . 2 . 1 1 47 47 HIS HB2 H . . . . 47 . HB2 rr_1bbl 1
290 1 . 1 . 1 1 47 47 HIS HA H . . . . 47 . HA rr_1bbl 1
290 1 . 2 . 1 1 47 47 HIS HD2 H . . . . 47 . HD2 rr_1bbl 1
291 1 . 1 . 1 1 47 47 HIS HB3 H . . . . 47 . HB1 rr_1bbl 1
291 1 . 2 . 1 1 47 47 HIS HD2 H . . . . 47 . HD2 rr_1bbl 1
292 1 . 1 . 1 1 47 47 HIS HB2 H . . . . 47 . HB2 rr_1bbl 1
292 1 . 2 . 1 1 47 47 HIS HD2 H . . . . 47 . HD2 rr_1bbl 1
293 1 . 1 . 1 1 48 48 LEU H H . . . . 48 . HN rr_1bbl 1
293 1 . 2 . 1 1 48 48 LEU HA H . . . . 48 . HA rr_1bbl 1
294 1 . 1 . 1 1 48 48 LEU H H . . . . 48 . HN rr_1bbl 1
294 1 . 2 . 1 1 48 48 LEU HB3 H . . . . 48 . HB1 rr_1bbl 1
295 1 . 1 . 1 1 48 48 LEU H H . . . . 48 . HN rr_1bbl 1
295 1 . 2 . 1 1 48 48 LEU HB2 H . . . . 48 . HB2 rr_1bbl 1
296 1 . 1 . 1 1 48 48 LEU H H . . . . 48 . HN rr_1bbl 1
296 1 . 2 . 1 1 48 48 LEU HG H . . . . 48 . HG rr_1bbl 1
297 1 . 1 . 1 1 48 48 LEU H H . . . . 48 . HN rr_1bbl 1
297 1 . 2 . 1 1 48 48 LEU MD1 H . . . . 48 . HD1# rr_1bbl 1
298 1 . 1 . 1 1 48 48 LEU H H . . . . 48 . HN rr_1bbl 1
298 1 . 2 . 1 1 48 48 LEU MD2 H . . . . 48 . HD2# rr_1bbl 1
299 1 . 1 . 1 1 48 48 LEU HA H . . . . 48 . HA rr_1bbl 1
299 1 . 2 . 1 1 48 48 LEU HB3 H . . . . 48 . HB1 rr_1bbl 1
300 1 . 1 . 1 1 48 48 LEU HA H . . . . 48 . HA rr_1bbl 1
300 1 . 2 . 1 1 48 48 LEU HB2 H . . . . 48 . HB2 rr_1bbl 1
301 1 . 1 . 1 1 48 48 LEU HA H . . . . 48 . HA rr_1bbl 1
301 1 . 2 . 1 1 48 48 LEU HG H . . . . 48 . HG rr_1bbl 1
302 1 . 1 . 1 1 48 48 LEU HA H . . . . 48 . HA rr_1bbl 1
302 1 . 2 . 1 1 48 48 LEU MD1 H . . . . 48 . HD1# rr_1bbl 1
303 1 . 1 . 1 1 48 48 LEU HA H . . . . 48 . HA rr_1bbl 1
303 1 . 2 . 1 1 48 48 LEU MD2 H . . . . 48 . HD2# rr_1bbl 1
304 1 . 1 . 1 1 48 48 LEU HB3 H . . . . 48 . HB1 rr_1bbl 1
304 1 . 2 . 1 1 48 48 LEU MD1 H . . . . 48 . HD1# rr_1bbl 1
305 1 . 1 . 1 1 48 48 LEU HB3 H . . . . 48 . HB1 rr_1bbl 1
305 1 . 2 . 1 1 48 48 LEU MD2 H . . . . 48 . HD2# rr_1bbl 1
306 1 . 1 . 1 1 48 48 LEU HB2 H . . . . 48 . HB2 rr_1bbl 1
306 1 . 2 . 1 1 48 48 LEU MD1 H . . . . 48 . HD1# rr_1bbl 1
307 1 . 1 . 1 1 48 48 LEU HB2 H . . . . 48 . HB2 rr_1bbl 1
307 1 . 2 . 1 1 48 48 LEU MD2 H . . . . 48 . HD2# rr_1bbl 1
308 1 . 1 . 1 1 49 49 ALA H H . . . . 49 . HN rr_1bbl 1
308 1 . 2 . 1 1 49 49 ALA HA H . . . . 49 . HA rr_1bbl 1
309 1 . 1 . 1 1 49 49 ALA H H . . . . 49 . HN rr_1bbl 1
309 1 . 2 . 1 1 49 49 ALA MB H . . . . 49 . HB# rr_1bbl 1
310 1 . 1 . 1 1 49 49 ALA HA H . . . . 49 . HA rr_1bbl 1
310 1 . 2 . 1 1 49 49 ALA MB H . . . . 49 . HB# rr_1bbl 1
311 1 . 1 . 1 1 50 50 LYS H H . . . . 50 . HN rr_1bbl 1
311 1 . 2 . 1 1 50 50 LYS HA H . . . . 50 . HA rr_1bbl 1
312 2 . 1 . 1 1 50 50 LYS H H . . . . 50 . HN rr_1bbl 1
312 2 . 2 . 1 1 50 50 LYS HB2 H . . . . 50 . HB# rr_1bbl 1
312 3 . 1 . 1 1 50 50 LYS H H . . . . 50 . HN rr_1bbl 1
312 3 . 2 . 1 1 50 50 LYS HB3 H . . . . 50 . HB# rr_1bbl 1
313 1 . 1 . 1 1 51 51 ALA H H . . . . 51 . HN rr_1bbl 1
313 1 . 2 . 1 1 51 51 ALA HA H . . . . 51 . HA rr_1bbl 1
314 1 . 1 . 1 1 51 51 ALA H H . . . . 51 . HN rr_1bbl 1
314 1 . 2 . 1 1 51 51 ALA MB H . . . . 51 . HB# rr_1bbl 1
315 1 . 1 . 1 1 51 51 ALA HA H . . . . 51 . HA rr_1bbl 1
315 1 . 2 . 1 1 51 51 ALA MB H . . . . 51 . HB# rr_1bbl 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Spectral_peak_list_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
2 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
3 1 . . . . . . 4.0 1.8 7.0 rr_1bbl 1
4 1 . . . . . . 3.0 1.8 5.3 rr_1bbl 1
5 1 . . . . . . 3.0 1.8 5.3 rr_1bbl 1
6 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
7 1 . . . . . . 3.0 1.8 4.8 rr_1bbl 1
8 1 . . . . . . 3.0 1.8 4.8 rr_1bbl 1
9 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
10 2 . . . . . . 3.0 1.8 4.3 rr_1bbl 1
10 3 . . . . . . 3.0 1.8 4.3 rr_1bbl 1
11 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
12 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
13 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
14 2 . . . . . . 3.0 1.8 4.3 rr_1bbl 1
14 3 . . . . . . 3.0 1.8 4.3 rr_1bbl 1
15 1 . . . . . . 5.0 2.5 7.5 rr_1bbl 1
16 1 . . . . . . 5.0 2.5 7.5 rr_1bbl 1
17 2 . . . . . . 3.0 1.8 4.3 rr_1bbl 1
17 3 . . . . . . 3.0 1.8 4.3 rr_1bbl 1
18 2 . . . . . . 3.0 1.8 5.7 rr_1bbl 1
18 3 . . . . . . 3.0 1.8 5.7 rr_1bbl 1
19 2 . . . . . . 3.0 1.8 5.8 rr_1bbl 1
19 3 . . . . . . 3.0 1.8 5.8 rr_1bbl 1
20 2 . . . . . . 3.0 1.8 5.8 rr_1bbl 1
20 3 . . . . . . 3.0 1.8 5.8 rr_1bbl 1
21 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
22 2 . . . . . . 3.0 1.8 4.3 rr_1bbl 1
22 3 . . . . . . 3.0 1.8 4.3 rr_1bbl 1
23 2 . . . . . . 4.0 1.8 6.0 rr_1bbl 1
23 3 . . . . . . 4.0 1.8 6.0 rr_1bbl 1
24 2 . . . . . . 3.0 1.8 4.3 rr_1bbl 1
24 3 . . . . . . 3.0 1.8 4.3 rr_1bbl 1
25 2 . . . . . . 3.0 1.8 4.3 rr_1bbl 1
25 3 . . . . . . 3.0 1.8 4.3 rr_1bbl 1
26 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
27 2 . . . . . . 3.0 1.8 4.3 rr_1bbl 1
27 3 . . . . . . 3.0 1.8 4.3 rr_1bbl 1
28 2 . . . . . . 4.0 1.8 6.0 rr_1bbl 1
28 3 . . . . . . 4.0 1.8 6.0 rr_1bbl 1
29 2 . . . . . . 3.0 1.8 4.3 rr_1bbl 1
29 3 . . . . . . 3.0 1.8 4.3 rr_1bbl 1
30 2 . . . . . . 3.0 1.8 4.3 rr_1bbl 1
30 3 . . . . . . 3.0 1.8 4.3 rr_1bbl 1
31 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
32 2 . . . . . . 3.0 1.8 4.3 rr_1bbl 1
32 3 . . . . . . 3.0 1.8 4.3 rr_1bbl 1
33 2 . . . . . . 4.0 1.8 6.0 rr_1bbl 1
33 3 . . . . . . 4.0 1.8 6.0 rr_1bbl 1
34 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
35 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
36 2 . . . . . . 4.0 1.8 6.0 rr_1bbl 1
36 3 . . . . . . 4.0 1.8 6.0 rr_1bbl 1
37 2 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
37 3 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
38 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
39 2 . . . . . . 3.0 1.8 4.3 rr_1bbl 1
39 3 . . . . . . 3.0 1.8 4.3 rr_1bbl 1
40 2 . . . . . . 4.0 1.8 6.0 rr_1bbl 1
40 3 . . . . . . 4.0 1.8 6.0 rr_1bbl 1
41 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
42 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
43 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
44 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
45 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
46 2 . . . . . . 3.0 1.8 4.3 rr_1bbl 1
46 3 . . . . . . 3.0 1.8 4.3 rr_1bbl 1
47 2 . . . . . . 4.0 1.8 6.0 rr_1bbl 1
47 3 . . . . . . 4.0 1.8 6.0 rr_1bbl 1
48 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
49 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
50 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
51 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
52 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
53 2 . . . . . . 3.0 1.8 4.3 rr_1bbl 1
53 3 . . . . . . 3.0 1.8 4.3 rr_1bbl 1
54 2 . . . . . . 3.0 1.8 4.3 rr_1bbl 1
54 3 . . . . . . 3.0 1.8 4.3 rr_1bbl 1
55 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
56 1 . . . . . . 3.0 1.8 4.8 rr_1bbl 1
57 1 . . . . . . 3.0 1.8 4.8 rr_1bbl 1
58 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
59 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
60 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
61 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
62 2 . . . . . . 4.0 1.8 7.4 rr_1bbl 1
62 3 . . . . . . 4.0 1.8 7.4 rr_1bbl 1
63 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
64 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
65 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
66 2 . . . . . . 3.0 1.8 5.7 rr_1bbl 1
66 3 . . . . . . 3.0 1.8 5.7 rr_1bbl 1
67 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
68 2 . . . . . . 3.0 1.8 4.3 rr_1bbl 1
68 3 . . . . . . 3.0 1.8 4.3 rr_1bbl 1
69 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
70 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
71 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
72 2 . . . . . . 4.0 1.8 6.0 rr_1bbl 1
72 3 . . . . . . 4.0 1.8 6.0 rr_1bbl 1
73 2 . . . . . . 4.0 1.8 6.0 rr_1bbl 1
73 3 . . . . . . 4.0 1.8 6.0 rr_1bbl 1
74 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
75 1 . . . . . . 3.0 1.8 4.8 rr_1bbl 1
76 1 . . . . . . 3.0 1.8 4.8 rr_1bbl 1
77 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
78 1 . . . . . . 2.5 1.8 2.8 rr_1bbl 1
79 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
80 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
81 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 1
82 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 1
83 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
84 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
85 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
86 1 . . . . . . 3.0 1.8 4.8 rr_1bbl 1
87 1 . . . . . . 3.0 1.8 4.8 rr_1bbl 1
88 1 . . . . . . 3.0 1.8 4.8 rr_1bbl 1
89 1 . . . . . . 4.0 1.8 6.0 rr_1bbl 1
90 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
91 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
92 2 . . . . . . 4.0 1.8 6.0 rr_1bbl 1
92 3 . . . . . . 4.0 1.8 6.0 rr_1bbl 1
93 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
94 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
95 2 . . . . . . 3.0 1.8 4.3 rr_1bbl 1
95 3 . . . . . . 3.0 1.8 4.3 rr_1bbl 1
96 1 . . . . . . 5.0 2.5 6.0 rr_1bbl 1
97 1 . . . . . . 5.0 2.5 6.0 rr_1bbl 1
98 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
99 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
100 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
101 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
102 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
103 2 . . . . . . 5.0 2.5 7.0 rr_1bbl 1
103 3 . . . . . . 5.0 2.5 7.0 rr_1bbl 1
104 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
105 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
106 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
107 2 . . . . . . 4.0 1.8 6.0 rr_1bbl 1
107 3 . . . . . . 4.0 1.8 6.0 rr_1bbl 1
108 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
109 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
110 2 . . . . . . 4.0 1.8 6.0 rr_1bbl 1
110 3 . . . . . . 4.0 1.8 6.0 rr_1bbl 1
111 2 . . . . . . 3.0 1.8 4.3 rr_1bbl 1
111 3 . . . . . . 3.0 1.8 4.3 rr_1bbl 1
112 2 . . . . . . 4.0 1.8 6.0 rr_1bbl 1
112 3 . . . . . . 4.0 1.8 6.0 rr_1bbl 1
113 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
114 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
115 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
116 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 1
117 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
118 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
119 1 . . . . . . 3.0 1.8 4.8 rr_1bbl 1
120 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 1
121 1 . . . . . . 3.0 1.8 4.8 rr_1bbl 1
122 1 . . . . . . 3.0 1.8 4.8 rr_1bbl 1
123 1 . . . . . . 3.0 1.8 4.8 rr_1bbl 1
124 1 . . . . . . 3.0 1.8 4.8 rr_1bbl 1
125 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
126 2 . . . . . . 3.0 1.8 4.3 rr_1bbl 1
126 3 . . . . . . 3.0 1.8 4.3 rr_1bbl 1
127 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
128 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 1
129 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 1
130 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
131 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
132 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
133 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 1
134 1 . . . . . . 3.0 1.8 4.8 rr_1bbl 1
135 2 . . . . . . 4.0 1.8 7.5 rr_1bbl 1
135 3 . . . . . . 4.0 1.8 7.5 rr_1bbl 1
136 2 . . . . . . 4.0 1.8 7.5 rr_1bbl 1
136 3 . . . . . . 4.0 1.8 7.5 rr_1bbl 1
137 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
138 1 . . . . . . 3.0 1.8 4.8 rr_1bbl 1
139 1 . . . . . . 3.0 1.8 4.8 rr_1bbl 1
140 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
141 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
142 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
143 2 . . . . . . 4.0 1.8 6.0 rr_1bbl 1
143 3 . . . . . . 4.0 1.8 6.0 rr_1bbl 1
144 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
145 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
146 2 . . . . . . 3.0 1.8 4.3 rr_1bbl 1
146 3 . . . . . . 3.0 1.8 4.3 rr_1bbl 1
147 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
148 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
149 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
150 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
151 1 . . . . . . 2.5 1.8 2.8 rr_1bbl 1
152 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
153 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
154 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
155 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
156 1 . . . . . . 5.0 2.5 6.0 rr_1bbl 1
157 1 . . . . . . 5.0 2.5 6.0 rr_1bbl 1
158 1 . . . . . . 2.5 1.8 2.8 rr_1bbl 1
159 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
160 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
161 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
162 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
163 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
164 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
165 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
166 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
167 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
168 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
169 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 1
170 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 1
171 1 . . . . . . 3.0 1.8 4.3 rr_1bbl 1
172 1 . . . . . . 3.0 1.8 4.3 rr_1bbl 1
173 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 1
174 1 . . . . . . 3.0 1.8 4.8 rr_1bbl 1
175 1 . . . . . . 3.0 1.8 4.8 rr_1bbl 1
176 1 . . . . . . 3.0 1.8 4.8 rr_1bbl 1
177 1 . . . . . . 3.0 1.8 4.8 rr_1bbl 1
178 1 . . . . . . 3.0 1.8 4.8 rr_1bbl 1
179 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
180 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
181 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
182 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
183 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
184 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
185 1 . . . . . . 3.0 1.8 4.8 rr_1bbl 1
186 1 . . . . . . 3.0 1.8 4.8 rr_1bbl 1
187 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
188 2 . . . . . . 3.0 1.8 4.3 rr_1bbl 1
188 3 . . . . . . 3.0 1.8 4.3 rr_1bbl 1
189 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
190 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
191 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
192 1 . . . . . . 3.0 1.8 4.8 rr_1bbl 1
193 1 . . . . . . 3.0 1.8 4.8 rr_1bbl 1
194 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
195 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
196 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
197 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
198 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 1
199 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
200 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
201 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
202 1 . . . . . . 3.0 1.8 4.8 rr_1bbl 1
203 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 1
204 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 1
205 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
206 2 . . . . . . 3.0 1.8 4.3 rr_1bbl 1
206 3 . . . . . . 3.0 1.8 4.3 rr_1bbl 1
207 2 . . . . . . 3.0 1.8 4.3 rr_1bbl 1
207 3 . . . . . . 3.0 1.8 4.3 rr_1bbl 1
208 2 . . . . . . 2.5 1.8 3.8 rr_1bbl 1
208 3 . . . . . . 2.5 1.8 3.8 rr_1bbl 1
209 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 1
210 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
211 1 . . . . . . 3.0 1.8 4.8 rr_1bbl 1
212 1 . . . . . . 3.0 1.8 4.8 rr_1bbl 1
213 2 . . . . . . 2.5 1.8 3.8 rr_1bbl 1
213 3 . . . . . . 2.5 1.8 3.8 rr_1bbl 1
214 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
215 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
216 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 1
217 1 . . . . . . 3.0 1.8 4.8 rr_1bbl 1
218 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
219 1 . . . . . . 3.0 1.8 4.8 rr_1bbl 1
220 1 . . . . . . 3.0 1.8 4.8 rr_1bbl 1
221 2 . . . . . . 2.5 1.8 3.8 rr_1bbl 1
221 3 . . . . . . 2.5 1.8 3.8 rr_1bbl 1
222 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
223 1 . . . . . . 2.5 1.8 2.8 rr_1bbl 1
224 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
225 2 . . . . . . 4.0 1.8 6.0 rr_1bbl 1
225 3 . . . . . . 4.0 1.8 6.0 rr_1bbl 1
226 2 . . . . . . 4.0 1.8 6.0 rr_1bbl 1
226 3 . . . . . . 4.0 1.8 6.0 rr_1bbl 1
227 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
228 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
229 2 . . . . . . 4.0 1.8 6.0 rr_1bbl 1
229 3 . . . . . . 4.0 1.8 6.0 rr_1bbl 1
230 2 . . . . . . 4.0 1.8 6.0 rr_1bbl 1
230 3 . . . . . . 4.0 1.8 6.0 rr_1bbl 1
231 2 . . . . . . 4.0 1.8 6.0 rr_1bbl 1
231 3 . . . . . . 4.0 1.8 6.0 rr_1bbl 1
232 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
233 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
234 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
235 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 1
236 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 1
237 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
238 1 . . . . . . 2.5 1.8 2.8 rr_1bbl 1
239 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
240 1 . . . . . . 3.0 1.8 4.8 rr_1bbl 1
241 1 . . . . . . 3.0 1.8 4.8 rr_1bbl 1
242 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
243 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 1
244 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
245 1 . . . . . . 3.0 1.8 4.8 rr_1bbl 1
246 1 . . . . . . 3.0 1.8 4.8 rr_1bbl 1
247 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
248 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
249 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
250 2 . . . . . . 4.0 1.8 6.0 rr_1bbl 1
250 3 . . . . . . 4.0 1.8 6.0 rr_1bbl 1
251 2 . . . . . . 5.0 2.5 7.0 rr_1bbl 1
251 3 . . . . . . 5.0 2.5 7.0 rr_1bbl 1
252 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
253 1 . . . . . . 2.5 1.8 2.8 rr_1bbl 1
254 2 . . . . . . 3.0 1.8 4.3 rr_1bbl 1
254 3 . . . . . . 3.0 1.8 4.3 rr_1bbl 1
255 2 . . . . . . 4.0 1.8 6.0 rr_1bbl 1
255 3 . . . . . . 4.0 1.8 6.0 rr_1bbl 1
256 2 . . . . . . 3.0 1.8 4.3 rr_1bbl 1
256 3 . . . . . . 3.0 1.8 4.3 rr_1bbl 1
257 1 . . . . . . 5.0 2.5 6.0 rr_1bbl 1
258 2 . . . . . . 4.0 1.8 6.0 rr_1bbl 1
258 3 . . . . . . 4.0 1.8 6.0 rr_1bbl 1
259 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
260 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
261 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
262 2 . . . . . . 5.0 2.5 7.0 rr_1bbl 1
262 3 . . . . . . 5.0 2.5 7.0 rr_1bbl 1
263 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
264 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
265 2 . . . . . . 3.0 1.8 4.3 rr_1bbl 1
265 3 . . . . . . 3.0 1.8 4.3 rr_1bbl 1
266 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
267 2 . . . . . . 3.0 1.8 4.3 rr_1bbl 1
267 3 . . . . . . 3.0 1.8 4.3 rr_1bbl 1
268 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
269 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
270 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
271 1 . . . . . . 2.5 1.8 2.8 rr_1bbl 1
272 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 1
273 1 . . . . . . 3.0 1.8 4.8 rr_1bbl 1
274 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
275 1 . . . . . . 3.0 1.8 4.8 rr_1bbl 1
276 1 . . . . . . 3.0 1.8 4.8 rr_1bbl 1
277 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
278 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
279 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
280 2 . . . . . . 4.0 1.8 6.0 rr_1bbl 1
280 3 . . . . . . 4.0 1.8 6.0 rr_1bbl 1
281 2 . . . . . . 3.0 1.8 4.3 rr_1bbl 1
281 3 . . . . . . 3.0 1.8 4.3 rr_1bbl 1
282 2 . . . . . . 3.0 1.8 4.3 rr_1bbl 1
282 3 . . . . . . 3.0 1.8 4.3 rr_1bbl 1
283 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
284 2 . . . . . . 3.0 1.8 4.3 rr_1bbl 1
284 3 . . . . . . 3.0 1.8 4.3 rr_1bbl 1
285 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
286 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
287 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
288 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
289 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
290 1 . . . . . . 5.0 2.5 6.0 rr_1bbl 1
291 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
292 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
293 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
294 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
295 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
296 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
297 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 1
298 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 1
299 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
300 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
301 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
302 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 1
303 1 . . . . . . 2.5 1.8 4.3 rr_1bbl 1
304 1 . . . . . . 3.0 1.8 4.8 rr_1bbl 1
305 1 . . . . . . 3.0 1.8 4.8 rr_1bbl 1
306 1 . . . . . . 2.5 1.8 4.3 rr_1bbl 1
307 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 1
308 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 1
309 1 . . . . . . 3.0 1.8 4.8 rr_1bbl 1
310 1 . . . . . . 3.0 1.8 4.8 rr_1bbl 1
311 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
312 2 . . . . . . 4.0 1.8 6.0 rr_1bbl 1
312 3 . . . . . . 4.0 1.8 6.0 rr_1bbl 1
313 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 1
314 1 . . . . . . 3.0 1.8 4.8 rr_1bbl 1
315 1 . . . . . . 3.0 1.8 4.8 rr_1bbl 1
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1 "! residue 1 TYR" 1 1 1 69 rr_1bbl 1
2 "! residue 2 ALA" 8 1 8 70 rr_1bbl 1
3 "! residue 3 SER" 13 1 13 70 rr_1bbl 1
4 "! residue 4 LEU" 19 1 19 67 rr_1bbl 1
5 "! residue 5 GLU" 29 1 29 78 rr_1bbl 1
6 "! residue 6 GLU" 36 1 36 78 rr_1bbl 1
7 "! residue 7 GLN" 43 1 43 78 rr_1bbl 1
8 "! residue 8 ASN" 52 1 52 75 rr_1bbl 1
9 "! residue 9 ASN" 61 1 61 75 rr_1bbl 1
10 "! residue 10 ASP" 70 1 70 78 rr_1bbl 1
11 "! residue 11 ALA" 75 1 75 71 rr_1bbl 1
12 "! residue 12 LEU" 80 1 80 68 rr_1bbl 1
13 "! residue 13 SER" 91 1 91 71 rr_1bbl 1
14 "! residue 14 PRO" 97 1 97 75 rr_1bbl 1
15 "! residue 15 ALA" 102 1 102 71 rr_1bbl 1
16 "! residue 16 ILEU" 107 1 107 66 rr_1bbl 1
17 "! residue 17 ARG" 121 1 121 81 rr_1bbl 1
18 "! residue 18 ARG" 138 1 138 81 rr_1bbl 1
19 "! residue 19 LEU" 149 1 149 68 rr_1bbl 1
20 "! residue 20 LEU" 163 1 163 68 rr_1bbl 1
21 "! residue 21 ALA" 177 1 177 71 rr_1bbl 1
22 "! residue 22 GLU" 182 1 182 79 rr_1bbl 1
23 "! residue 23 HIS" 191 1 191 69 rr_1bbl 1
24 "! residue 24 ASN" 204 1 204 76 rr_1bbl 1
25 "! residue 25 LEU" 213 1 213 68 rr_1bbl 1
26 "! residue 26 ASP" 229 1 229 78 rr_1bbl 1
27 "! residue 27 ALA" 236 1 236 71 rr_1bbl 1
28 "! residue 28 SER" 241 1 241 71 rr_1bbl 1
29 "! residue 29 ALA" 247 1 247 71 rr_1bbl 1
30 "! residue 30 ILE" 252 1 252 72 rr_1bbl 1
31 "! residue 31 LYS" 265 1 265 75 rr_1bbl 1
32 "! residue 32 GLY" 270 1 270 72 rr_1bbl 1
33 "! residue 33 THR" 273 1 273 75 rr_1bbl 1
34 "! residue 34 GLY" 279 1 279 72 rr_1bbl 1
35 "! residue 35 VAL" 282 1 282 71 rr_1bbl 1
36 "! residue 36 GLY" 291 1 291 72 rr_1bbl 1
37 "! residue 37 GLY" 294 1 294 72 rr_1bbl 1
38 "! residue 38 ARG" 298 1 298 81 rr_1bbl 1
39 "! residue 39 LEU" 308 1 308 72 rr_1bbl 1
40 "! residue 40 THR" 320 1 320 75 rr_1bbl 1
41 "! residue 41 ARG" 327 1 327 81 rr_1bbl 1
42 "! residue 42 GLU" 341 1 341 79 rr_1bbl 1
43 "! residue 43 ASP" 350 1 350 78 rr_1bbl 1
44 "! residue 44 VAL" 356 1 356 71 rr_1bbl 1
45 "! residue 45 GLU" 365 1 365 79 rr_1bbl 1
46 "! residue 46 LYS" 373 1 373 75 rr_1bbl 1
47 "! residue 47 HIS" 377 1 377 69 rr_1bbl 1
48 "! residue 48 LEU" 387 1 387 68 rr_1bbl 1
49 "! residue 49 ALA" 404 1 404 71 rr_1bbl 1
50 "! residue 50 LYS" 409 1 409 75 rr_1bbl 1
51 "! residue 51 ALA" 413 1 413 71 rr_1bbl 1
stop_
save_
save_CNS/XPLOR_distance_constraints_4_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_4_1
_Distance_constraint_list.Entry_ID rr_1bbl
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Details "Generated by Wattos"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 4
loop_
_Distance_constraint_software.Software_ID
_Distance_constraint_software.Software_label
_Distance_constraint_software.Method_ID
_Distance_constraint_software.Method_label
_Distance_constraint_software.Entry_ID
_Distance_constraint_software.Distance_constraint_list_ID
. . . . rr_1bbl 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_1bbl 2
2 1 . . . rr_1bbl 2
3 1 . . . rr_1bbl 2
4 1 . . . rr_1bbl 2
5 1 . . . rr_1bbl 2
6 1 . . . rr_1bbl 2
7 1 . . . rr_1bbl 2
8 1 . . . rr_1bbl 2
9 1 . . . rr_1bbl 2
10 1 . . . rr_1bbl 2
11 1 . . . rr_1bbl 2
12 1 . . . rr_1bbl 2
13 1 . . . rr_1bbl 2
14 1 . . . rr_1bbl 2
15 1 . . . rr_1bbl 2
16 1 . . . rr_1bbl 2
17 1 . . . rr_1bbl 2
18 1 . . . rr_1bbl 2
19 1 . . . rr_1bbl 2
20 1 . . . rr_1bbl 2
21 1 . . . rr_1bbl 2
22 1 . . . rr_1bbl 2
23 1 . . . rr_1bbl 2
24 1 . . . rr_1bbl 2
25 1 . . . rr_1bbl 2
26 1 . . . rr_1bbl 2
27 1 . . . rr_1bbl 2
28 1 . . . rr_1bbl 2
29 1 . . . rr_1bbl 2
30 1 . . . rr_1bbl 2
31 1 . . . rr_1bbl 2
32 1 . . . rr_1bbl 2
33 1 . . . rr_1bbl 2
34 1 . . . rr_1bbl 2
35 1 . . . rr_1bbl 2
36 1 . . . rr_1bbl 2
37 1 . . . rr_1bbl 2
38 1 2 . OR rr_1bbl 2
38 2 . 3 . rr_1bbl 2
38 3 . . . rr_1bbl 2
39 1 . . . rr_1bbl 2
40 1 . . . rr_1bbl 2
41 1 . . . rr_1bbl 2
42 1 . . . rr_1bbl 2
43 1 . . . rr_1bbl 2
44 1 . . . rr_1bbl 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 16 16 ILE MD H . . . . 16 . HD# rr_1bbl 2
1 1 . 2 . 1 1 40 40 THR HA H . . . . 40 . HA rr_1bbl 2
2 1 . 1 . 1 1 16 16 ILE MD H . . . . 16 . HD# rr_1bbl 2
2 1 . 2 . 1 1 41 41 ARG H H . . . . 41 . HN rr_1bbl 2
3 1 . 1 . 1 1 16 16 ILE HG13 H . . . . 16 . HG11 rr_1bbl 2
3 1 . 2 . 1 1 41 41 ARG HA H . . . . 41 . HA rr_1bbl 2
4 1 . 1 . 1 1 16 16 ILE MD H . . . . 16 . HD# rr_1bbl 2
4 1 . 2 . 1 1 41 41 ARG HA H . . . . 41 . HA rr_1bbl 2
5 1 . 1 . 1 1 19 19 LEU MD1 H . . . . 19 . HD1# rr_1bbl 2
5 1 . 2 . 1 1 48 48 LEU MD1 H . . . . 48 . HD1# rr_1bbl 2
6 1 . 1 . 1 1 19 19 LEU MD2 H . . . . 19 . HD2# rr_1bbl 2
6 1 . 2 . 1 1 44 44 VAL MG1 H . . . . 44 . HG1# rr_1bbl 2
7 1 . 1 . 1 1 19 19 LEU MD2 H . . . . 19 . HD2# rr_1bbl 2
7 1 . 2 . 1 1 44 44 VAL MG2 H . . . . 44 . HG2# rr_1bbl 2
8 1 . 1 . 1 1 20 20 LEU MD2 H . . . . 20 . HD2# rr_1bbl 2
8 1 . 2 . 1 1 44 44 VAL MG2 H . . . . 44 . HG2# rr_1bbl 2
9 1 . 1 . 1 1 23 23 HIS HB3 H . . . . 23 . HB1 rr_1bbl 2
9 1 . 2 . 1 1 48 48 LEU MD2 H . . . . 48 . HD2# rr_1bbl 2
10 1 . 1 . 1 1 23 23 HIS HB2 H . . . . 23 . HB2 rr_1bbl 2
10 1 . 2 . 1 1 48 48 LEU MD2 H . . . . 48 . HD2# rr_1bbl 2
11 1 . 1 . 1 1 23 23 HIS HD2 H . . . . 23 . HD2 rr_1bbl 2
11 1 . 2 . 1 1 48 48 LEU MD1 H . . . . 48 . HD1# rr_1bbl 2
12 1 . 1 . 1 1 23 23 HIS HD2 H . . . . 23 . HD2 rr_1bbl 2
12 1 . 2 . 1 1 48 48 LEU MD2 H . . . . 48 . HD2# rr_1bbl 2
13 1 . 1 . 1 1 23 23 HIS HE1 H . . . . 23 . HE1 rr_1bbl 2
13 1 . 2 . 1 1 48 48 LEU MD1 H . . . . 48 . HD1# rr_1bbl 2
14 1 . 1 . 1 1 23 23 HIS HE1 H . . . . 23 . HE1 rr_1bbl 2
14 1 . 2 . 1 1 48 48 LEU MD2 H . . . . 48 . HD2# rr_1bbl 2
15 1 . 1 . 1 1 25 25 LEU MD1 H . . . . 25 . HD1# rr_1bbl 2
15 1 . 2 . 1 1 47 47 HIS HD2 H . . . . 47 . HD2 rr_1bbl 2
16 1 . 1 . 1 1 25 25 LEU MD2 H . . . . 25 . HD2# rr_1bbl 2
16 1 . 2 . 1 1 47 47 HIS HD2 H . . . . 47 . HD2 rr_1bbl 2
17 1 . 1 . 1 1 25 25 LEU MD1 H . . . . 25 . HD1# rr_1bbl 2
17 1 . 2 . 1 1 47 47 HIS HB3 H . . . . 47 . HB1 rr_1bbl 2
18 1 . 1 . 1 1 27 27 ALA H H . . . . 27 . HN rr_1bbl 2
18 1 . 2 . 1 1 39 39 LEU MD2 H . . . . 39 . HD2# rr_1bbl 2
19 1 . 1 . 1 1 29 29 ALA MB H . . . . 29 . HB# rr_1bbl 2
19 1 . 2 . 1 1 47 47 HIS HE1 H . . . . 47 . HE1 rr_1bbl 2
20 1 . 1 . 1 1 30 30 ILE MG H . . . . 30 . HG2# rr_1bbl 2
20 1 . 2 . 1 1 43 43 ASP HB3 H . . . . 43 . HB1 rr_1bbl 2
21 1 . 1 . 1 1 30 30 ILE MG H . . . . 30 . HG2# rr_1bbl 2
21 1 . 2 . 1 1 43 43 ASP HB2 H . . . . 43 . HB2 rr_1bbl 2
22 1 . 1 . 1 1 30 30 ILE HG13 H . . . . 30 . HG11 rr_1bbl 2
22 1 . 2 . 1 1 43 43 ASP HB3 H . . . . 43 . HB1 rr_1bbl 2
23 1 . 1 . 1 1 30 30 ILE HG12 H . . . . 30 . HG12 rr_1bbl 2
23 1 . 2 . 1 1 44 44 VAL HA H . . . . 44 . HA rr_1bbl 2
24 1 . 1 . 1 1 30 30 ILE HG13 H . . . . 30 . HG11 rr_1bbl 2
24 1 . 2 . 1 1 44 44 VAL HA H . . . . 44 . HA rr_1bbl 2
25 1 . 1 . 1 1 30 30 ILE HG13 H . . . . 30 . HG11 rr_1bbl 2
25 1 . 2 . 1 1 44 44 VAL MG2 H . . . . 44 . HG2# rr_1bbl 2
26 1 . 1 . 1 1 30 30 ILE MG H . . . . 30 . HG2# rr_1bbl 2
26 1 . 2 . 1 1 44 44 VAL HA H . . . . 44 . HA rr_1bbl 2
27 1 . 1 . 1 1 30 30 ILE HG13 H . . . . 30 . HG11 rr_1bbl 2
27 1 . 2 . 1 1 47 47 HIS HB3 H . . . . 47 . HB1 rr_1bbl 2
28 1 . 1 . 1 1 30 30 ILE HG13 H . . . . 30 . HG11 rr_1bbl 2
28 1 . 2 . 1 1 47 47 HIS HB2 H . . . . 47 . HB2 rr_1bbl 2
29 1 . 1 . 1 1 30 30 ILE HG13 H . . . . 30 . HG11 rr_1bbl 2
29 1 . 2 . 1 1 47 47 HIS HD2 H . . . . 47 . HD2 rr_1bbl 2
30 1 . 1 . 1 1 30 30 ILE HG13 H . . . . 30 . HG11 rr_1bbl 2
30 1 . 2 . 1 1 47 47 HIS HE1 H . . . . 47 . HE1 rr_1bbl 2
31 1 . 1 . 1 1 30 30 ILE MG H . . . . 30 . HG2# rr_1bbl 2
31 1 . 2 . 1 1 47 47 HIS HB3 H . . . . 47 . HB1 rr_1bbl 2
32 1 . 1 . 1 1 30 30 ILE MG H . . . . 30 . HG2# rr_1bbl 2
32 1 . 2 . 1 1 47 47 HIS HB2 H . . . . 47 . HB2 rr_1bbl 2
33 1 . 1 . 1 1 30 30 ILE MG H . . . . 30 . HG2# rr_1bbl 2
33 1 . 2 . 1 1 47 47 HIS HE1 H . . . . 47 . HE1 rr_1bbl 2
34 1 . 1 . 1 1 30 30 ILE MD H . . . . 30 . HD# rr_1bbl 2
34 1 . 2 . 1 1 47 47 HIS HB3 H . . . . 47 . HB1 rr_1bbl 2
35 1 . 1 . 1 1 30 30 ILE MD H . . . . 30 . HD# rr_1bbl 2
35 1 . 2 . 1 1 47 47 HIS HE1 H . . . . 47 . HE1 rr_1bbl 2
36 1 . 1 . 1 1 32 32 GLY HA3 H . . . . 32 . HA1 rr_1bbl 2
36 1 . 2 . 1 1 39 39 LEU HA H . . . . 39 . HA rr_1bbl 2
37 1 . 1 . 1 1 32 32 GLY HA2 H . . . . 32 . HA2 rr_1bbl 2
37 1 . 2 . 1 1 39 39 LEU HA H . . . . 39 . HA rr_1bbl 2
38 2 . 1 . 1 1 32 32 GLY HA3 H . . . . 32 . HA1 rr_1bbl 2
38 2 . 2 . 1 1 39 39 LEU MD1 H . . . . 39 . HD* rr_1bbl 2
38 3 . 1 . 1 1 32 32 GLY HA3 H . . . . 32 . HA1 rr_1bbl 2
38 3 . 2 . 1 1 39 39 LEU MD2 H . . . . 39 . HD* rr_1bbl 2
39 1 . 1 . 1 1 32 32 GLY HA2 H . . . . 32 . HA2 rr_1bbl 2
39 1 . 2 . 1 1 39 39 LEU MD1 H . . . . 39 . HD1# rr_1bbl 2
40 1 . 1 . 1 1 32 32 GLY HA2 H . . . . 32 . HA2 rr_1bbl 2
40 1 . 2 . 1 1 39 39 LEU MD2 H . . . . 39 . HD2# rr_1bbl 2
41 1 . 1 . 1 1 32 32 GLY HA2 H . . . . 32 . HA2 rr_1bbl 2
41 1 . 2 . 1 1 40 40 THR MG H . . . . 40 . HG2# rr_1bbl 2
42 1 . 1 . 1 1 34 34 GLY H H . . . . 34 . HN rr_1bbl 2
42 1 . 2 . 1 1 40 40 THR MG H . . . . 40 . HG2# rr_1bbl 2
43 1 . 1 . 1 1 34 34 GLY HA3 H . . . . 34 . HA1 rr_1bbl 2
43 1 . 2 . 1 1 40 40 THR MG H . . . . 40 . HG2# rr_1bbl 2
44 1 . 1 . 1 1 34 34 GLY HA2 H . . . . 34 . HA2 rr_1bbl 2
44 1 . 2 . 1 1 40 40 THR MG H . . . . 40 . HG2# rr_1bbl 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 . . . . . . 3.0 1.8 4.8 rr_1bbl 2
2 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 2
3 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 2
4 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 2
5 1 . . . . . . 3.0 1.8 6.3 rr_1bbl 2
6 1 . . . . . . 4.0 1.8 8.0 rr_1bbl 2
7 1 . . . . . . 4.0 1.8 8.0 rr_1bbl 2
8 1 . . . . . . 3.0 1.8 6.3 rr_1bbl 2
9 1 . . . . . . 3.0 1.8 4.8 rr_1bbl 2
10 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 2
11 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 2
12 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 2
13 1 . . . . . . 5.0 2.5 7.5 rr_1bbl 2
14 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 2
15 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 2
16 1 . . . . . . 3.0 1.8 4.8 rr_1bbl 2
17 1 . . . . . . 5.0 2.5 7.5 rr_1bbl 2
18 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 2
19 1 . . . . . . 5.0 2.5 7.0 rr_1bbl 2
20 1 . . . . . . 3.0 1.8 4.8 rr_1bbl 2
21 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 2
22 1 . . . . . . 5.0 2.5 6.0 rr_1bbl 2
23 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 2
24 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 2
25 1 . . . . . . 3.0 1.8 4.8 rr_1bbl 2
26 1 . . . . . . 3.0 1.8 4.8 rr_1bbl 2
27 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 2
28 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 2
29 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 2
30 1 . . . . . . 5.0 2.5 6.0 rr_1bbl 2
31 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 2
32 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 2
33 1 . . . . . . 5.0 2.5 7.5 rr_1bbl 2
34 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 2
35 1 . . . . . . 5.0 2.5 7.5 rr_1bbl 2
36 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 2
37 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 2
38 2 . . . . . . 4.0 1.8 7.7 rr_1bbl 2
38 3 . . . . . . 4.0 1.8 7.7 rr_1bbl 2
39 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 2
40 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 2
41 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 2
42 1 . . . . . . 3.0 1.8 4.8 rr_1bbl 2
43 1 . . . . . . 3.0 1.8 4.8 rr_1bbl 2
44 1 . . . . . . 3.0 1.8 4.8 rr_1bbl 2
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1 "! residue 16 ILE" 1 1 1 74 rr_1bbl 2
2 "! residue 19 LEU" 7 1 7 68 rr_1bbl 2
3 "! residue 20 LEU" 12 1 12 68 rr_1bbl 2
4 "! residue 23 HIS" 16 1 16 69 rr_1bbl 2
5 "! residue 25 LEU" 24 1 24 68 rr_1bbl 2
6 "! residue 27 ALA" 29 1 29 71 rr_1bbl 2
7 "! residue 29 ALA" 32 1 32 71 rr_1bbl 2
8 "! residue 30 ILE" 35 1 35 76 rr_1bbl 2
9 "! residue 32 GLY" 53 1 53 72 rr_1bbl 2
10 "! residue 34 GLY" 61 1 61 72 rr_1bbl 2
stop_
save_
save_CNS/XPLOR_distance_constraints_6_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_6_1
_Distance_constraint_list.Entry_ID rr_1bbl
_Distance_constraint_list.ID 3
_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 6
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_1bbl 3
stop_
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 2 . OR rr_1bbl 3
1 2 . 3 . rr_1bbl 3
1 3 . . . rr_1bbl 3
2 1 2 . OR rr_1bbl 3
2 2 . 3 . rr_1bbl 3
2 3 . . . rr_1bbl 3
3 1 . . . rr_1bbl 3
4 1 . . . rr_1bbl 3
5 1 . . . rr_1bbl 3
6 1 . . . rr_1bbl 3
7 1 . . . rr_1bbl 3
8 1 . . . rr_1bbl 3
9 1 . . . rr_1bbl 3
10 1 . . . rr_1bbl 3
11 1 . . . rr_1bbl 3
12 1 . . . rr_1bbl 3
13 1 . . . rr_1bbl 3
14 1 . . . rr_1bbl 3
15 1 . . . rr_1bbl 3
16 1 . . . rr_1bbl 3
17 1 2 . OR rr_1bbl 3
17 2 . 3 . rr_1bbl 3
17 3 . . . rr_1bbl 3
18 1 . . . rr_1bbl 3
19 1 . . . rr_1bbl 3
20 1 . . . rr_1bbl 3
21 1 . . . rr_1bbl 3
22 1 . . . rr_1bbl 3
23 1 . . . rr_1bbl 3
24 1 . . . rr_1bbl 3
25 1 . . . rr_1bbl 3
26 1 . . . rr_1bbl 3
27 1 . . . rr_1bbl 3
28 1 . . . rr_1bbl 3
29 1 . . . rr_1bbl 3
30 1 . . . rr_1bbl 3
31 1 . . . rr_1bbl 3
32 1 . . . rr_1bbl 3
33 1 . . . rr_1bbl 3
34 1 . . . rr_1bbl 3
35 1 . . . rr_1bbl 3
36 1 . . . rr_1bbl 3
37 1 . . . rr_1bbl 3
38 1 . . . rr_1bbl 3
39 1 . . . rr_1bbl 3
40 1 . . . rr_1bbl 3
41 1 . . . rr_1bbl 3
42 1 . . . rr_1bbl 3
43 1 . . . rr_1bbl 3
44 1 . . . rr_1bbl 3
45 1 . . . rr_1bbl 3
46 1 . . . rr_1bbl 3
47 1 . . . rr_1bbl 3
48 1 . . . rr_1bbl 3
49 1 . . . rr_1bbl 3
50 1 . . . rr_1bbl 3
51 1 2 . OR rr_1bbl 3
51 2 . 3 . rr_1bbl 3
51 3 . . . rr_1bbl 3
52 1 . . . rr_1bbl 3
53 1 . . . rr_1bbl 3
54 1 . . . rr_1bbl 3
55 1 . . . rr_1bbl 3
56 1 . . . rr_1bbl 3
57 1 . . . rr_1bbl 3
58 1 . . . rr_1bbl 3
59 1 . . . rr_1bbl 3
60 1 . . . rr_1bbl 3
61 1 . . . rr_1bbl 3
62 1 . . . rr_1bbl 3
63 1 . . . rr_1bbl 3
64 1 . . . rr_1bbl 3
65 1 . . . rr_1bbl 3
66 1 . . . rr_1bbl 3
67 1 2 . OR rr_1bbl 3
67 2 . 3 . rr_1bbl 3
67 3 . . . rr_1bbl 3
68 1 2 . OR rr_1bbl 3
68 2 . 3 . rr_1bbl 3
68 3 . . . rr_1bbl 3
69 1 . . . rr_1bbl 3
70 1 2 . OR rr_1bbl 3
70 2 . 3 . rr_1bbl 3
70 3 . . . rr_1bbl 3
71 1 . . . rr_1bbl 3
72 1 . . . rr_1bbl 3
73 1 . . . rr_1bbl 3
74 1 . . . rr_1bbl 3
75 1 . . . rr_1bbl 3
76 1 . . . rr_1bbl 3
77 1 . . . rr_1bbl 3
78 1 . . . rr_1bbl 3
79 1 . . . rr_1bbl 3
80 1 . . . rr_1bbl 3
81 1 . . . rr_1bbl 3
82 1 . . . rr_1bbl 3
83 1 . . . rr_1bbl 3
84 1 . . . rr_1bbl 3
85 1 . . . rr_1bbl 3
86 1 . . . rr_1bbl 3
87 1 . . . rr_1bbl 3
88 1 . . . rr_1bbl 3
89 1 . . . rr_1bbl 3
90 1 2 . OR rr_1bbl 3
90 2 . 3 . rr_1bbl 3
90 3 . . . rr_1bbl 3
91 1 . . . rr_1bbl 3
92 1 . . . rr_1bbl 3
93 1 . . . rr_1bbl 3
94 1 . . . rr_1bbl 3
95 1 . . . rr_1bbl 3
96 1 . . . rr_1bbl 3
97 1 . . . rr_1bbl 3
98 1 . . . rr_1bbl 3
99 1 . . . rr_1bbl 3
100 1 . . . rr_1bbl 3
101 1 2 . OR rr_1bbl 3
101 2 . 3 . rr_1bbl 3
101 3 . . . rr_1bbl 3
102 1 . . . rr_1bbl 3
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Contribution_fractional_val
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Atom_type
_Dist_constraint.Atom_isotope_number
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_entity_assembly_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 2 . 1 . 1 1 3 3 SER HB2 H . . . . 3 . HB# rr_1bbl 3
1 2 . 2 . 1 1 5 5 GLU H H . . . . 5 . HN rr_1bbl 3
1 3 . 1 . 1 1 3 3 SER HB3 H . . . . 3 . HB# rr_1bbl 3
1 3 . 2 . 1 1 5 5 GLU H H . . . . 5 . HN rr_1bbl 3
2 2 . 1 . 1 1 3 3 SER H H . . . . 3 . HN rr_1bbl 3
2 2 . 2 . 1 1 6 6 GLU HB2 H . . . . 6 . HB# rr_1bbl 3
2 3 . 1 . 1 1 3 3 SER H H . . . . 3 . HN rr_1bbl 3
2 3 . 2 . 1 1 6 6 GLU HB3 H . . . . 6 . HB# rr_1bbl 3
3 1 . 1 . 1 1 12 12 LEU HA H . . . . 12 . HA rr_1bbl 3
3 1 . 2 . 1 1 16 16 ILE HB H . . . . 16 . HB rr_1bbl 3
4 1 . 1 . 1 1 12 12 LEU HB3 H . . . . 12 . HB1 rr_1bbl 3
4 1 . 2 . 1 1 16 16 ILE HB H . . . . 16 . HB rr_1bbl 3
5 1 . 1 . 1 1 13 13 SER HA H . . . . 13 . HA rr_1bbl 3
5 1 . 2 . 1 1 15 15 ALA H H . . . . 15 . HN rr_1bbl 3
6 1 . 1 . 1 1 13 13 SER H H . . . . 13 . HN rr_1bbl 3
6 1 . 2 . 1 1 16 16 ILE HB H . . . . 16 . HB rr_1bbl 3
7 1 . 1 . 1 1 13 13 SER H H . . . . 13 . HN rr_1bbl 3
7 1 . 2 . 1 1 16 16 ILE H H . . . . 16 . HN rr_1bbl 3
8 1 . 1 . 1 1 13 13 SER HA H . . . . 13 . HA rr_1bbl 3
8 1 . 2 . 1 1 16 16 ILE HB H . . . . 16 . HB rr_1bbl 3
9 1 . 1 . 1 1 14 14 PRO HA H . . . . 14 . HA rr_1bbl 3
9 1 . 2 . 1 1 17 17 ARG H H . . . . 17 . HN rr_1bbl 3
10 1 . 1 . 1 1 15 15 ALA HA H . . . . 15 . HA rr_1bbl 3
10 1 . 2 . 1 1 17 17 ARG H H . . . . 17 . HN rr_1bbl 3
11 1 . 1 . 1 1 15 15 ALA HA H . . . . 15 . HA rr_1bbl 3
11 1 . 2 . 1 1 18 18 ARG H H . . . . 18 . HN rr_1bbl 3
12 1 . 1 . 1 1 16 16 ILE HA H . . . . 16 . HA rr_1bbl 3
12 1 . 2 . 1 1 19 19 LEU H H . . . . 19 . HN rr_1bbl 3
13 1 . 1 . 1 1 16 16 ILE HA H . . . . 16 . HA rr_1bbl 3
13 1 . 2 . 1 1 19 19 LEU HB3 H . . . . 19 . HB1 rr_1bbl 3
14 1 . 1 . 1 1 16 16 ILE HA H . . . . 16 . HA rr_1bbl 3
14 1 . 2 . 1 1 19 19 LEU HB2 H . . . . 19 . HB2 rr_1bbl 3
15 1 . 1 . 1 1 16 16 ILE HA H . . . . 16 . HA rr_1bbl 3
15 1 . 2 . 1 1 19 19 LEU MD1 H . . . . 19 . HD1# rr_1bbl 3
16 1 . 1 . 1 1 17 17 ARG HA H . . . . 17 . HA rr_1bbl 3
16 1 . 2 . 1 1 20 20 LEU H H . . . . 20 . HN rr_1bbl 3
17 2 . 1 . 1 1 17 17 ARG HA H . . . . 17 . HA rr_1bbl 3
17 2 . 2 . 1 1 20 20 LEU HB2 H . . . . 20 . HB# rr_1bbl 3
17 3 . 1 . 1 1 17 17 ARG HA H . . . . 17 . HA rr_1bbl 3
17 3 . 2 . 1 1 20 20 LEU HB3 H . . . . 20 . HB# rr_1bbl 3
18 1 . 1 . 1 1 18 18 ARG HA H . . . . 18 . HA rr_1bbl 3
18 1 . 2 . 1 1 21 21 ALA H H . . . . 21 . HN rr_1bbl 3
19 1 . 1 . 1 1 18 18 ARG HA H . . . . 18 . HA rr_1bbl 3
19 1 . 2 . 1 1 21 21 ALA MB H . . . . 21 . HB# rr_1bbl 3
20 1 . 1 . 1 1 18 18 ARG HA H . . . . 18 . HA rr_1bbl 3
20 1 . 2 . 1 1 22 22 GLU H H . . . . 22 . HN rr_1bbl 3
21 1 . 1 . 1 1 19 19 LEU H H . . . . 19 . HN rr_1bbl 3
21 1 . 2 . 1 1 21 21 ALA H H . . . . 21 . HN rr_1bbl 3
22 1 . 1 . 1 1 19 19 LEU HA H . . . . 19 . HA rr_1bbl 3
22 1 . 2 . 1 1 22 22 GLU H H . . . . 22 . HN rr_1bbl 3
23 1 . 1 . 1 1 19 19 LEU HA H . . . . 19 . HA rr_1bbl 3
23 1 . 2 . 1 1 22 22 GLU HB3 H . . . . 22 . HB1 rr_1bbl 3
24 1 . 1 . 1 1 19 19 LEU HA H . . . . 19 . HA rr_1bbl 3
24 1 . 2 . 1 1 23 23 HIS HD2 H . . . . 23 . HD2 rr_1bbl 3
25 1 . 1 . 1 1 19 19 LEU HG H . . . . 19 . HG rr_1bbl 3
25 1 . 2 . 1 1 23 23 HIS HD2 H . . . . 23 . HD2 rr_1bbl 3
26 1 . 1 . 1 1 19 19 LEU MD1 H . . . . 19 . HD1# rr_1bbl 3
26 1 . 2 . 1 1 23 23 HIS HD2 H . . . . 23 . HD2 rr_1bbl 3
27 1 . 1 . 1 1 19 19 LEU MD2 H . . . . 19 . HD2# rr_1bbl 3
27 1 . 2 . 1 1 23 23 HIS HD2 H . . . . 23 . HD2 rr_1bbl 3
28 1 . 1 . 1 1 19 19 LEU HA H . . . . 19 . HA rr_1bbl 3
28 1 . 2 . 1 1 23 23 HIS HE1 H . . . . 23 . HE1 rr_1bbl 3
29 1 . 1 . 1 1 19 19 LEU HG H . . . . 19 . HG rr_1bbl 3
29 1 . 2 . 1 1 23 23 HIS HE1 H . . . . 23 . HE1 rr_1bbl 3
30 1 . 1 . 1 1 19 19 LEU MD1 H . . . . 19 . HD1# rr_1bbl 3
30 1 . 2 . 1 1 23 23 HIS HE1 H . . . . 23 . HE1 rr_1bbl 3
31 1 . 1 . 1 1 19 19 LEU MD2 H . . . . 19 . HD2# rr_1bbl 3
31 1 . 2 . 1 1 23 23 HIS HE1 H . . . . 23 . HE1 rr_1bbl 3
32 1 . 1 . 1 1 20 20 LEU HA H . . . . 20 . HA rr_1bbl 3
32 1 . 2 . 1 1 23 23 HIS HB3 H . . . . 23 . HB1 rr_1bbl 3
33 1 . 1 . 1 1 20 20 LEU HA H . . . . 20 . HA rr_1bbl 3
33 1 . 2 . 1 1 23 23 HIS HB2 H . . . . 23 . HB2 rr_1bbl 3
34 1 . 1 . 1 1 20 20 LEU HA H . . . . 20 . HA rr_1bbl 3
34 1 . 2 . 1 1 23 23 HIS HD2 H . . . . 23 . HD2 rr_1bbl 3
35 1 . 1 . 1 1 20 20 LEU HA H . . . . 20 . HA rr_1bbl 3
35 1 . 2 . 1 1 25 25 LEU MD1 H . . . . 25 . HD1# rr_1bbl 3
36 1 . 1 . 1 1 20 20 LEU HA H . . . . 20 . HA rr_1bbl 3
36 1 . 2 . 1 1 25 25 LEU HB2 H . . . . 25 . HB2 rr_1bbl 3
37 1 . 1 . 1 1 20 20 LEU MD2 H . . . . 20 . HD2# rr_1bbl 3
37 1 . 2 . 1 1 25 25 LEU HB3 H . . . . 25 . HB1 rr_1bbl 3
38 1 . 1 . 1 1 20 20 LEU MD2 H . . . . 20 . HD2# rr_1bbl 3
38 1 . 2 . 1 1 25 25 LEU HB2 H . . . . 25 . HB2 rr_1bbl 3
39 1 . 1 . 1 1 21 21 ALA HA H . . . . 21 . HA rr_1bbl 3
39 1 . 2 . 1 1 24 24 ASN H H . . . . 24 . HN rr_1bbl 3
40 1 . 1 . 1 1 22 22 GLU HA H . . . . 22 . HA rr_1bbl 3
40 1 . 2 . 1 1 24 24 ASN H H . . . . 24 . HN rr_1bbl 3
41 1 . 1 . 1 1 23 23 HIS HB3 H . . . . 23 . HB1 rr_1bbl 3
41 1 . 2 . 1 1 25 25 LEU HG H . . . . 25 . HG rr_1bbl 3
42 1 . 1 . 1 1 23 23 HIS HB2 H . . . . 23 . HB2 rr_1bbl 3
42 1 . 2 . 1 1 25 25 LEU HG H . . . . 25 . HG rr_1bbl 3
43 1 . 1 . 1 1 23 23 HIS HB2 H . . . . 23 . HB2 rr_1bbl 3
43 1 . 2 . 1 1 25 25 LEU HB2 H . . . . 25 . HB2 rr_1bbl 3
44 1 . 1 . 1 1 23 23 HIS HB3 H . . . . 23 . HB1 rr_1bbl 3
44 1 . 2 . 1 1 25 25 LEU MD1 H . . . . 25 . HD1# rr_1bbl 3
45 1 . 1 . 1 1 23 23 HIS HB2 H . . . . 23 . HB2 rr_1bbl 3
45 1 . 2 . 1 1 25 25 LEU MD1 H . . . . 25 . HD1# rr_1bbl 3
46 1 . 1 . 1 1 25 25 LEU HB3 H . . . . 25 . HB1 rr_1bbl 3
46 1 . 2 . 1 1 30 30 ILE HG13 H . . . . 30 . HG11 rr_1bbl 3
47 1 . 1 . 1 1 25 25 LEU HB3 H . . . . 25 . HB1 rr_1bbl 3
47 1 . 2 . 1 1 30 30 ILE HG12 H . . . . 30 . HG12 rr_1bbl 3
48 1 . 1 . 1 1 25 25 LEU HB2 H . . . . 25 . HB2 rr_1bbl 3
48 1 . 2 . 1 1 30 30 ILE HG13 H . . . . 30 . HG11 rr_1bbl 3
49 1 . 1 . 1 1 25 25 LEU MD1 H . . . . 25 . HD1# rr_1bbl 3
49 1 . 2 . 1 1 30 30 ILE HG13 H . . . . 30 . HG11 rr_1bbl 3
50 1 . 1 . 1 1 26 26 ASP HA H . . . . 26 . HA rr_1bbl 3
50 1 . 2 . 1 1 28 28 SER H H . . . . 28 . HN rr_1bbl 3
51 2 . 1 . 1 1 26 26 ASP HB3 H . . . . 26 . HB# rr_1bbl 3
51 2 . 2 . 1 1 28 28 SER H H . . . . 28 . HN rr_1bbl 3
51 3 . 1 . 1 1 26 26 ASP HB2 H . . . . 26 . HB# rr_1bbl 3
51 3 . 2 . 1 1 28 28 SER H H . . . . 28 . HN rr_1bbl 3
52 1 . 1 . 1 1 26 26 ASP HB3 H . . . . 26 . HB1 rr_1bbl 3
52 1 . 2 . 1 1 29 29 ALA MB H . . . . 29 . HB# rr_1bbl 3
53 1 . 1 . 1 1 26 26 ASP HB2 H . . . . 26 . HB2 rr_1bbl 3
53 1 . 2 . 1 1 29 29 ALA MB H . . . . 29 . HB# rr_1bbl 3
54 1 . 1 . 1 1 27 27 ALA HA H . . . . 27 . HA rr_1bbl 3
54 1 . 2 . 1 1 29 29 ALA H H . . . . 29 . HN rr_1bbl 3
55 1 . 1 . 1 1 27 27 ALA HA H . . . . 27 . HA rr_1bbl 3
55 1 . 2 . 1 1 30 30 ILE HB H . . . . 30 . HB rr_1bbl 3
56 1 . 1 . 1 1 27 27 ALA HA H . . . . 27 . HA rr_1bbl 3
56 1 . 2 . 1 1 30 30 ILE HG13 H . . . . 30 . HG11 rr_1bbl 3
57 1 . 1 . 1 1 27 27 ALA HA H . . . . 27 . HA rr_1bbl 3
57 1 . 2 . 1 1 30 30 ILE HG12 H . . . . 30 . HG12 rr_1bbl 3
58 1 . 1 . 1 1 27 27 ALA HA H . . . . 27 . HA rr_1bbl 3
58 1 . 2 . 1 1 30 30 ILE MD H . . . . 30 . HD# rr_1bbl 3
59 1 . 1 . 1 1 27 27 ALA MB H . . . . 27 . HB# rr_1bbl 3
59 1 . 2 . 1 1 30 30 ILE HG13 H . . . . 30 . HG11 rr_1bbl 3
60 1 . 1 . 1 1 28 28 SER H H . . . . 28 . HN rr_1bbl 3
60 1 . 2 . 1 1 30 30 ILE H H . . . . 30 . HN rr_1bbl 3
61 1 . 1 . 1 1 28 28 SER HA H . . . . 28 . HA rr_1bbl 3
61 1 . 2 . 1 1 30 30 ILE H H . . . . 30 . HN rr_1bbl 3
62 1 . 1 . 1 1 32 32 GLY HA2 H . . . . 32 . HA2 rr_1bbl 3
62 1 . 2 . 1 1 34 34 GLY H H . . . . 34 . HN rr_1bbl 3
63 1 . 1 . 1 1 33 33 THR HA H . . . . 33 . HA rr_1bbl 3
63 1 . 2 . 1 1 37 37 GLY HA3 H . . . . 37 . HA1 rr_1bbl 3
64 1 . 1 . 1 1 33 33 THR HA H . . . . 33 . HA rr_1bbl 3
64 1 . 2 . 1 1 37 37 GLY HA2 H . . . . 37 . HA2 rr_1bbl 3
65 1 . 1 . 1 1 33 33 THR H H . . . . 33 . HN rr_1bbl 3
65 1 . 2 . 1 1 38 38 ARG H H . . . . 38 . HN rr_1bbl 3
66 1 . 1 . 1 1 34 34 GLY H H . . . . 34 . HN rr_1bbl 3
66 1 . 2 . 1 1 38 38 ARG H H . . . . 38 . HN rr_1bbl 3
67 2 . 1 . 1 1 34 34 GLY HA2 H . . . . 34 . HA# rr_1bbl 3
67 2 . 2 . 1 1 38 38 ARG HB3 H . . . . 38 . HB1 rr_1bbl 3
67 3 . 1 . 1 1 34 34 GLY HA3 H . . . . 34 . HA# rr_1bbl 3
67 3 . 2 . 1 1 38 38 ARG HB3 H . . . . 38 . HB1 rr_1bbl 3
68 2 . 1 . 1 1 34 34 GLY HA2 H . . . . 34 . HA# rr_1bbl 3
68 2 . 2 . 1 1 38 38 ARG HB2 H . . . . 38 . HB2 rr_1bbl 3
68 3 . 1 . 1 1 34 34 GLY HA3 H . . . . 34 . HA# rr_1bbl 3
68 3 . 2 . 1 1 38 38 ARG HB2 H . . . . 38 . HB2 rr_1bbl 3
69 1 . 1 . 1 1 35 35 VAL H H . . . . 35 . HN rr_1bbl 3
69 1 . 2 . 1 1 40 40 THR MG H . . . . 40 . HG2# rr_1bbl 3
70 2 . 1 . 1 1 35 35 VAL MG1 H . . . . 35 . HG1# rr_1bbl 3
70 2 . 2 . 1 1 38 38 ARG HD2 H . . . . 38 . HD# rr_1bbl 3
70 3 . 1 . 1 1 35 35 VAL MG1 H . . . . 35 . HG1# rr_1bbl 3
70 3 . 2 . 1 1 38 38 ARG HD3 H . . . . 38 . HD# rr_1bbl 3
71 1 . 1 . 1 1 39 39 LEU HA H . . . . 39 . HA rr_1bbl 3
71 1 . 2 . 1 1 43 43 ASP HB2 H . . . . 43 . HB2 rr_1bbl 3
72 1 . 1 . 1 1 39 39 LEU MD1 H . . . . 39 . HD1# rr_1bbl 3
72 1 . 2 . 1 1 43 43 ASP HB3 H . . . . 43 . HB1 rr_1bbl 3
73 1 . 1 . 1 1 39 39 LEU MD1 H . . . . 39 . HD1# rr_1bbl 3
73 1 . 2 . 1 1 43 43 ASP HB2 H . . . . 43 . HB2 rr_1bbl 3
74 1 . 1 . 1 1 39 39 LEU MD2 H . . . . 39 . HD2# rr_1bbl 3
74 1 . 2 . 1 1 43 43 ASP HB3 H . . . . 43 . HB1 rr_1bbl 3
75 1 . 1 . 1 1 39 39 LEU MD2 H . . . . 39 . HD2# rr_1bbl 3
75 1 . 2 . 1 1 43 43 ASP HB2 H . . . . 43 . HB2 rr_1bbl 3
76 1 . 1 . 1 1 39 39 LEU MD1 H . . . . 39 . HD1# rr_1bbl 3
76 1 . 2 . 1 1 44 44 VAL HB H . . . . 44 . HB rr_1bbl 3
77 1 . 1 . 1 1 40 40 THR HA H . . . . 40 . HA rr_1bbl 3
77 1 . 2 . 1 1 42 42 GLU H H . . . . 42 . HN rr_1bbl 3
78 1 . 1 . 1 1 40 40 THR HB H . . . . 40 . HB rr_1bbl 3
78 1 . 2 . 1 1 42 42 GLU H H . . . . 42 . HN rr_1bbl 3
79 1 . 1 . 1 1 40 40 THR H H . . . . 40 . HN rr_1bbl 3
79 1 . 2 . 1 1 43 43 ASP H H . . . . 43 . HN rr_1bbl 3
80 1 . 1 . 1 1 40 40 THR H H . . . . 40 . HN rr_1bbl 3
80 1 . 2 . 1 1 43 43 ASP HB3 H . . . . 43 . HB1 rr_1bbl 3
81 1 . 1 . 1 1 40 40 THR H H . . . . 40 . HN rr_1bbl 3
81 1 . 2 . 1 1 43 43 ASP HB2 H . . . . 43 . HB2 rr_1bbl 3
82 1 . 1 . 1 1 41 41 ARG H H . . . . 41 . HN rr_1bbl 3
82 1 . 2 . 1 1 43 43 ASP H H . . . . 43 . HN rr_1bbl 3
83 1 . 1 . 1 1 41 41 ARG HA H . . . . 41 . HA rr_1bbl 3
83 1 . 2 . 1 1 44 44 VAL H H . . . . 44 . HN rr_1bbl 3
84 1 . 1 . 1 1 41 41 ARG HA H . . . . 41 . HA rr_1bbl 3
84 1 . 2 . 1 1 44 44 VAL HB H . . . . 44 . HB rr_1bbl 3
85 1 . 1 . 1 1 41 41 ARG HA H . . . . 41 . HA rr_1bbl 3
85 1 . 2 . 1 1 44 44 VAL MG2 H . . . . 44 . HG2# rr_1bbl 3
86 1 . 1 . 1 1 42 42 GLU HA H . . . . 42 . HA rr_1bbl 3
86 1 . 2 . 1 1 44 44 VAL H H . . . . 44 . HN rr_1bbl 3
87 1 . 1 . 1 1 42 42 GLU HA H . . . . 42 . HA rr_1bbl 3
87 1 . 2 . 1 1 45 45 GLU H H . . . . 45 . HN rr_1bbl 3
88 1 . 1 . 1 1 43 43 ASP H H . . . . 43 . HN rr_1bbl 3
88 1 . 2 . 1 1 45 45 GLU H H . . . . 45 . HN rr_1bbl 3
89 1 . 1 . 1 1 43 43 ASP HA H . . . . 43 . HA rr_1bbl 3
89 1 . 2 . 1 1 46 46 LYS H H . . . . 46 . HN rr_1bbl 3
90 2 . 1 . 1 1 43 43 ASP HA H . . . . 43 . HA rr_1bbl 3
90 2 . 2 . 1 1 46 46 LYS HB2 H . . . . 46 . HB# rr_1bbl 3
90 3 . 1 . 1 1 43 43 ASP HA H . . . . 43 . HA rr_1bbl 3
90 3 . 2 . 1 1 46 46 LYS HB3 H . . . . 46 . HB# rr_1bbl 3
91 1 . 1 . 1 1 44 44 VAL HA H . . . . 44 . HA rr_1bbl 3
91 1 . 2 . 1 1 47 47 HIS H H . . . . 47 . HN rr_1bbl 3
92 1 . 1 . 1 1 44 44 VAL HA H . . . . 44 . HA rr_1bbl 3
92 1 . 2 . 1 1 47 47 HIS HA H . . . . 47 . HA rr_1bbl 3
93 1 . 1 . 1 1 44 44 VAL HA H . . . . 44 . HA rr_1bbl 3
93 1 . 2 . 1 1 47 47 HIS HB3 H . . . . 47 . HB1 rr_1bbl 3
94 1 . 1 . 1 1 44 44 VAL HA H . . . . 44 . HA rr_1bbl 3
94 1 . 2 . 1 1 47 47 HIS HB2 H . . . . 47 . HB2 rr_1bbl 3
95 1 . 1 . 1 1 44 44 VAL HA H . . . . 44 . HA rr_1bbl 3
95 1 . 2 . 1 1 47 47 HIS HD2 H . . . . 47 . HD2 rr_1bbl 3
96 1 . 1 . 1 1 44 44 VAL MG1 H . . . . 44 . HG1# rr_1bbl 3
96 1 . 2 . 1 1 48 48 LEU MD1 H . . . . 48 . HD1# rr_1bbl 3
97 1 . 1 . 1 1 45 45 GLU HA H . . . . 45 . HA rr_1bbl 3
97 1 . 2 . 1 1 48 48 LEU H H . . . . 48 . HN rr_1bbl 3
98 1 . 1 . 1 1 45 45 GLU HA H . . . . 45 . HA rr_1bbl 3
98 1 . 2 . 1 1 48 48 LEU HB2 H . . . . 48 . HB2 rr_1bbl 3
99 1 . 1 . 1 1 45 45 GLU HA H . . . . 45 . HA rr_1bbl 3
99 1 . 2 . 1 1 48 48 LEU HG H . . . . 48 . HG rr_1bbl 3
100 1 . 1 . 1 1 45 45 GLU HA H . . . . 45 . HA rr_1bbl 3
100 1 . 2 . 1 1 48 48 LEU MD1 H . . . . 48 . HD1# rr_1bbl 3
101 2 . 1 . 1 1 45 45 GLU HG2 H . . . . 45 . HG# rr_1bbl 3
101 2 . 2 . 1 1 48 48 LEU MD1 H . . . . 48 . HD1# rr_1bbl 3
101 3 . 1 . 1 1 45 45 GLU HG3 H . . . . 45 . HG# rr_1bbl 3
101 3 . 2 . 1 1 48 48 LEU MD1 H . . . . 48 . HD1# rr_1bbl 3
102 1 . 1 . 1 1 46 46 LYS H H . . . . 46 . HN rr_1bbl 3
102 1 . 2 . 1 1 48 48 LEU H H . . . . 48 . HN rr_1bbl 3
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Spectral_peak_list_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 2 . . . . . . 4.0 1.8 6.0 rr_1bbl 3
1 3 . . . . . . 4.0 1.8 6.0 rr_1bbl 3
2 2 . . . . . . 4.0 1.8 6.0 rr_1bbl 3
2 3 . . . . . . 4.0 1.8 6.0 rr_1bbl 3
3 1 . . . . . . 5.0 2.5 6.0 rr_1bbl 3
4 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 3
5 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 3
6 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 3
7 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 3
8 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 3
9 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 3
10 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 3
11 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 3
12 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 3
13 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 3
14 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 3
15 1 . . . . . . 3.0 1.8 4.8 rr_1bbl 3
16 1 . . . . . . 5.0 2.5 6.0 rr_1bbl 3
17 2 . . . . . . 4.0 1.8 6.0 rr_1bbl 3
17 3 . . . . . . 4.0 1.8 6.0 rr_1bbl 3
18 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 3
19 1 . . . . . . 3.0 1.8 4.8 rr_1bbl 3
20 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 3
21 1 . . . . . . 5.0 2.5 6.0 rr_1bbl 3
22 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 3
23 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 3
24 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 3
25 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 3
26 1 . . . . . . 3.0 1.8 4.8 rr_1bbl 3
27 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 3
28 1 . . . . . . 5.0 2.5 6.0 rr_1bbl 3
29 1 . . . . . . 5.0 2.5 6.0 rr_1bbl 3
30 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 3
31 1 . . . . . . 5.0 2.5 7.5 rr_1bbl 3
32 1 . . . . . . 5.0 2.5 6.0 rr_1bbl 3
33 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 3
34 1 . . . . . . 5.0 2.5 6.0 rr_1bbl 3
35 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 3
36 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 3
37 1 . . . . . . 3.0 1.8 4.8 rr_1bbl 3
38 1 . . . . . . 3.0 1.8 4.8 rr_1bbl 3
39 1 . . . . . . 5.0 2.5 6.0 rr_1bbl 3
40 1 . . . . . . 5.0 2.5 6.0 rr_1bbl 3
41 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 3
42 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 3
43 1 . . . . . . 5.0 2.5 6.0 rr_1bbl 3
44 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 3
45 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 3
46 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 3
47 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 3
48 1 . . . . . . 5.0 2.5 6.0 rr_1bbl 3
49 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 3
50 1 . . . . . . 5.0 2.5 6.0 rr_1bbl 3
51 2 . . . . . . 5.0 2.5 7.0 rr_1bbl 3
51 3 . . . . . . 5.0 2.5 7.0 rr_1bbl 3
52 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 3
53 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 3
54 1 . . . . . . 5.0 2.5 6.0 rr_1bbl 3
55 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 3
56 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 3
57 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 3
58 1 . . . . . . 5.0 2.8 7.5 rr_1bbl 3
59 1 . . . . . . 5.0 2.5 7.5 rr_1bbl 3
60 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 3
61 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 3
62 1 . . . . . . 5.0 2.5 6.0 rr_1bbl 3
63 1 . . . . . . 5.0 2.5 6.0 rr_1bbl 3
64 1 . . . . . . 5.0 2.5 6.0 rr_1bbl 3
65 1 . . . . . . 3.5 2.5 23.5 rr_1bbl 3
66 1 . . . . . . 3.5 2.5 23.5 rr_1bbl 3
67 2 . . . . . . 4.0 1.8 6.0 rr_1bbl 3
67 3 . . . . . . 4.0 1.8 6.0 rr_1bbl 3
68 2 . . . . . . 4.0 1.8 6.0 rr_1bbl 3
68 3 . . . . . . 4.0 1.8 6.0 rr_1bbl 3
69 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 3
70 2 . . . . . . 5.0 2.5 8.5 rr_1bbl 3
70 3 . . . . . . 5.0 2.5 8.5 rr_1bbl 3
71 1 . . . . . . 5.0 2.5 6.0 rr_1bbl 3
72 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 3
73 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 3
74 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 3
75 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 3
76 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 3
77 1 . . . . . . 5.0 2.5 6.0 rr_1bbl 3
78 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 3
79 1 . . . . . . 5.0 2.5 6.0 rr_1bbl 3
80 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 3
81 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 3
82 1 . . . . . . 5.0 2.5 6.0 rr_1bbl 3
83 1 . . . . . . 5.0 2.5 6.0 rr_1bbl 3
84 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 3
85 1 . . . . . . 3.0 1.8 4.8 rr_1bbl 3
86 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 3
87 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 3
88 1 . . . . . . 5.0 2.5 6.0 rr_1bbl 3
89 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 3
90 2 . . . . . . 4.0 1.8 6.0 rr_1bbl 3
90 3 . . . . . . 4.0 1.8 6.0 rr_1bbl 3
91 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 3
92 1 . . . . . . 5.0 2.5 6.0 rr_1bbl 3
93 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 3
94 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 3
95 1 . . . . . . 5.0 2.5 6.0 rr_1bbl 3
96 1 . . . . . . 3.0 1.8 6.3 rr_1bbl 3
97 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 3
98 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 3
99 1 . . . . . . 5.0 2.5 6.0 rr_1bbl 3
100 1 . . . . . . 3.0 1.8 4.8 rr_1bbl 3
101 2 . . . . . . 4.0 1.8 7.5 rr_1bbl 3
101 3 . . . . . . 4.0 1.8 7.5 rr_1bbl 3
102 1 . . . . . . 5.0 2.5 6.0 rr_1bbl 3
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1 "! residue 3 SER" 1 1 1 70 rr_1bbl 3
2 "! residue 12 LEU" 5 1 5 68 rr_1bbl 3
3 "! residue 13 SER" 9 1 9 71 rr_1bbl 3
4 "! residue 14 PRO" 15 1 15 75 rr_1bbl 3
5 "! residue 15 ALA" 18 1 18 71 rr_1bbl 3
6 "! residue 16 ILE" 22 1 22 74 rr_1bbl 3
7 "! residue 17 ARG" 28 1 28 81 rr_1bbl 3
8 "! residue 18 ARG" 32 1 32 81 rr_1bbl 3
9 "! residue 19 LEU" 37 1 37 68 rr_1bbl 3
10 "! residue 20 LEU" 50 1 50 68 rr_1bbl 3
11 "! residue 21 ALA" 59 1 59 71 rr_1bbl 3
12 "! residue 22 GLU" 62 1 62 79 rr_1bbl 3
13 "! residue 23 HIS" 65 1 65 69 rr_1bbl 3
14 "! residue 25 LEU" 72 1 72 68 rr_1bbl 3
15 "! residue 26 ASP" 78 1 78 78 rr_1bbl 3
16 "! residue 27 ALA" 84 1 84 71 rr_1bbl 3
17 "! residue 28 SER" 92 1 92 71 rr_1bbl 3
18 "! residue 32 GLY" 96 1 96 72 rr_1bbl 3
19 "! residue 33 THR" 99 1 99 75 rr_1bbl 3
20 "! residue 34 GLY" 104 1 104 72 rr_1bbl 3
21 "! residue 35 VAL" 109 1 109 71 rr_1bbl 3
22 "! residue 39 LEU" 113 1 113 72 rr_1bbl 3
23 "! residue 40 THR" 121 1 121 75 rr_1bbl 3
24 "! residue 41 ARG" 128 1 128 81 rr_1bbl 3
25 "! residue 42 GLU" 134 1 134 79 rr_1bbl 3
26 "! residue 43 ASP" 138 1 138 78 rr_1bbl 3
27 "! residue 44 VAL" 143 1 143 71 rr_1bbl 3
28 "! residue 45 GLU" 151 1 151 79 rr_1bbl 3
29 "! residue 46 LYS" 158 1 158 75 rr_1bbl 3
stop_
save_
save_CNS/XPLOR_distance_constraints_8_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_8_1
_Distance_constraint_list.Entry_ID rr_1bbl
_Distance_constraint_list.ID 4
_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 8
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_1bbl 4
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_1bbl 4
2 1 2 . OR rr_1bbl 4
2 2 . 3 . rr_1bbl 4
2 3 . . . rr_1bbl 4
3 1 . . . rr_1bbl 4
4 1 . . . rr_1bbl 4
5 1 . . . rr_1bbl 4
6 1 . . . rr_1bbl 4
7 1 . . . rr_1bbl 4
8 1 2 . OR rr_1bbl 4
8 2 . 3 . rr_1bbl 4
8 3 . . . rr_1bbl 4
9 1 . . . rr_1bbl 4
10 1 . . . rr_1bbl 4
11 1 2 . OR rr_1bbl 4
11 2 . 3 . rr_1bbl 4
11 3 . . . rr_1bbl 4
12 1 . . . rr_1bbl 4
13 1 . . . rr_1bbl 4
14 1 . . . rr_1bbl 4
15 1 . . . rr_1bbl 4
16 1 2 . OR rr_1bbl 4
16 2 . 3 . rr_1bbl 4
16 3 . . . rr_1bbl 4
17 1 . . . rr_1bbl 4
18 1 . . . rr_1bbl 4
19 1 2 . OR rr_1bbl 4
19 2 . 3 . rr_1bbl 4
19 3 . . . rr_1bbl 4
20 1 . . . rr_1bbl 4
21 1 . . . rr_1bbl 4
22 1 2 . OR rr_1bbl 4
22 2 . 3 . rr_1bbl 4
22 3 . . . rr_1bbl 4
23 1 . . . rr_1bbl 4
24 1 . . . rr_1bbl 4
25 1 . . . rr_1bbl 4
26 1 . . . rr_1bbl 4
27 1 2 . OR rr_1bbl 4
27 2 . 3 . rr_1bbl 4
27 3 . . . rr_1bbl 4
28 1 2 . OR rr_1bbl 4
28 2 . 3 . rr_1bbl 4
28 3 . . . rr_1bbl 4
29 1 . . . rr_1bbl 4
30 1 . . . rr_1bbl 4
31 1 . . . rr_1bbl 4
32 1 2 . OR rr_1bbl 4
32 2 . 3 . rr_1bbl 4
32 3 . . . rr_1bbl 4
33 1 2 . OR rr_1bbl 4
33 2 . 3 . rr_1bbl 4
33 3 . . . rr_1bbl 4
34 1 2 . OR rr_1bbl 4
34 2 . 3 . rr_1bbl 4
34 3 . 4 . rr_1bbl 4
34 4 . 5 . rr_1bbl 4
34 5 . . . rr_1bbl 4
35 1 . . . rr_1bbl 4
36 1 . . . rr_1bbl 4
37 1 . . . rr_1bbl 4
38 1 2 . OR rr_1bbl 4
38 2 . 3 . rr_1bbl 4
38 3 . . . rr_1bbl 4
39 1 2 . OR rr_1bbl 4
39 2 . 3 . rr_1bbl 4
39 3 . . . rr_1bbl 4
40 1 . . . rr_1bbl 4
41 1 . . . rr_1bbl 4
42 1 . . . rr_1bbl 4
43 1 . . . rr_1bbl 4
44 1 . . . rr_1bbl 4
45 1 . . . rr_1bbl 4
46 1 . . . rr_1bbl 4
47 1 . . . rr_1bbl 4
48 1 . . . rr_1bbl 4
49 1 . . . rr_1bbl 4
50 1 . . . rr_1bbl 4
51 1 . . . rr_1bbl 4
52 1 . . . rr_1bbl 4
53 1 . . . rr_1bbl 4
54 1 . . . rr_1bbl 4
55 1 . . . rr_1bbl 4
56 1 . . . rr_1bbl 4
57 1 . . . rr_1bbl 4
58 1 2 . OR rr_1bbl 4
58 2 . 3 . rr_1bbl 4
58 3 . . . rr_1bbl 4
59 1 . . . rr_1bbl 4
60 1 . . . rr_1bbl 4
61 1 . . . rr_1bbl 4
62 1 . . . rr_1bbl 4
63 1 . . . rr_1bbl 4
64 1 . . . rr_1bbl 4
65 1 . . . rr_1bbl 4
66 1 . . . rr_1bbl 4
67 1 . . . rr_1bbl 4
68 1 . . . rr_1bbl 4
69 1 2 . OR rr_1bbl 4
69 2 . 3 . rr_1bbl 4
69 3 . . . rr_1bbl 4
70 1 . . . rr_1bbl 4
71 1 . . . rr_1bbl 4
72 1 . . . rr_1bbl 4
73 1 2 . OR rr_1bbl 4
73 2 . 3 . rr_1bbl 4
73 3 . . . rr_1bbl 4
74 1 . . . rr_1bbl 4
75 1 . . . rr_1bbl 4
76 1 . . . rr_1bbl 4
77 1 . . . rr_1bbl 4
78 1 . . . rr_1bbl 4
79 1 . . . rr_1bbl 4
80 1 . . . rr_1bbl 4
81 1 . . . rr_1bbl 4
82 1 . . . rr_1bbl 4
83 1 . . . rr_1bbl 4
84 1 . . . rr_1bbl 4
85 1 . . . rr_1bbl 4
86 1 . . . rr_1bbl 4
87 1 . . . rr_1bbl 4
88 1 . . . rr_1bbl 4
89 1 . . . rr_1bbl 4
90 1 . . . rr_1bbl 4
91 1 2 . OR rr_1bbl 4
91 2 . 3 . rr_1bbl 4
91 3 . . . rr_1bbl 4
92 1 . . . rr_1bbl 4
93 1 . . . rr_1bbl 4
94 1 . . . rr_1bbl 4
95 1 . . . rr_1bbl 4
96 1 . . . rr_1bbl 4
97 1 . . . rr_1bbl 4
98 1 . . . rr_1bbl 4
99 1 . . . rr_1bbl 4
100 1 . . . rr_1bbl 4
101 1 . . . rr_1bbl 4
102 1 . . . rr_1bbl 4
103 1 . . . rr_1bbl 4
104 1 . . . rr_1bbl 4
105 1 . . . rr_1bbl 4
106 1 . . . rr_1bbl 4
107 1 . . . rr_1bbl 4
108 1 . . . rr_1bbl 4
109 1 . . . rr_1bbl 4
110 1 . . . rr_1bbl 4
111 1 . . . rr_1bbl 4
112 1 . . . rr_1bbl 4
113 1 . . . rr_1bbl 4
114 1 . . . rr_1bbl 4
115 1 . . . rr_1bbl 4
116 1 . . . rr_1bbl 4
117 1 . . . rr_1bbl 4
118 1 . . . rr_1bbl 4
119 1 . . . rr_1bbl 4
120 1 . . . rr_1bbl 4
121 1 . . . rr_1bbl 4
122 1 . . . rr_1bbl 4
123 1 . . . rr_1bbl 4
124 1 . . . rr_1bbl 4
125 1 2 . OR rr_1bbl 4
125 2 . 3 . rr_1bbl 4
125 3 . . . rr_1bbl 4
126 1 . . . rr_1bbl 4
127 1 . . . rr_1bbl 4
128 1 . . . rr_1bbl 4
129 1 . . . rr_1bbl 4
130 1 . . . rr_1bbl 4
131 1 . . . rr_1bbl 4
132 1 . . . rr_1bbl 4
133 1 . . . rr_1bbl 4
134 1 . . . rr_1bbl 4
135 1 . . . rr_1bbl 4
136 1 2 . OR rr_1bbl 4
136 2 . 3 . rr_1bbl 4
136 3 . . . rr_1bbl 4
137 1 . . . rr_1bbl 4
138 1 . . . rr_1bbl 4
139 1 . . . rr_1bbl 4
140 1 . . . rr_1bbl 4
141 1 . . . rr_1bbl 4
142 1 . . . rr_1bbl 4
143 1 . . . rr_1bbl 4
144 1 . . . rr_1bbl 4
145 1 . . . rr_1bbl 4
146 1 . . . rr_1bbl 4
147 1 . . . rr_1bbl 4
148 1 . . . rr_1bbl 4
149 1 . . . rr_1bbl 4
150 1 . . . rr_1bbl 4
151 1 . . . rr_1bbl 4
152 1 . . . rr_1bbl 4
153 1 . . . rr_1bbl 4
154 1 . . . rr_1bbl 4
155 1 . . . rr_1bbl 4
156 1 . . . rr_1bbl 4
157 1 . . . rr_1bbl 4
158 1 . . . rr_1bbl 4
159 1 2 . OR rr_1bbl 4
159 2 . 3 . rr_1bbl 4
159 3 . . . rr_1bbl 4
160 1 . . . rr_1bbl 4
161 1 . . . rr_1bbl 4
162 1 . . . rr_1bbl 4
163 1 . . . rr_1bbl 4
164 1 . . . rr_1bbl 4
165 1 . . . rr_1bbl 4
166 1 . . . rr_1bbl 4
167 1 . . . rr_1bbl 4
168 1 . . . rr_1bbl 4
169 1 . . . rr_1bbl 4
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 TYR HA H . . . . 1 . HA rr_1bbl 4
1 1 . 2 . 1 1 2 2 ALA H H . . . . 2 . HN rr_1bbl 4
2 2 . 1 . 1 1 1 1 TYR HB3 H . . . . 1 . HB# rr_1bbl 4
2 2 . 2 . 1 1 2 2 ALA H H . . . . 2 . HN rr_1bbl 4
2 3 . 1 . 1 1 1 1 TYR HB2 H . . . . 1 . HB# rr_1bbl 4
2 3 . 2 . 1 1 2 2 ALA H H . . . . 2 . HN rr_1bbl 4
3 1 . 1 . 1 1 1 1 TYR QD H . . . . 1 . HD# rr_1bbl 4
3 1 . 2 . 1 1 2 2 ALA H H . . . . 2 . HN rr_1bbl 4
4 1 . 1 . 1 1 2 2 ALA H H . . . . 2 . HN rr_1bbl 4
4 1 . 2 . 1 1 3 3 SER H H . . . . 3 . HN rr_1bbl 4
5 1 . 1 . 1 1 2 2 ALA HA H . . . . 2 . HA rr_1bbl 4
5 1 . 2 . 1 1 3 3 SER H H . . . . 3 . HN rr_1bbl 4
6 1 . 1 . 1 1 2 2 ALA MB H . . . . 2 . HB# rr_1bbl 4
6 1 . 2 . 1 1 3 3 SER H H . . . . 3 . HN rr_1bbl 4
7 1 . 1 . 1 1 3 3 SER HA H . . . . 3 . HA rr_1bbl 4
7 1 . 2 . 1 1 4 4 LEU H H . . . . 4 . HN rr_1bbl 4
8 2 . 1 . 1 1 3 3 SER HB2 H . . . . 3 . HB# rr_1bbl 4
8 2 . 2 . 1 1 4 4 LEU H H . . . . 4 . HN rr_1bbl 4
8 3 . 1 . 1 1 3 3 SER HB3 H . . . . 3 . HB# rr_1bbl 4
8 3 . 2 . 1 1 4 4 LEU H H . . . . 4 . HN rr_1bbl 4
9 1 . 1 . 1 1 4 4 LEU H H . . . . 4 . HN rr_1bbl 4
9 1 . 2 . 1 1 5 5 GLU H H . . . . 5 . HN rr_1bbl 4
10 1 . 1 . 1 1 4 4 LEU HA H . . . . 4 . HA rr_1bbl 4
10 1 . 2 . 1 1 5 5 GLU H H . . . . 5 . HN rr_1bbl 4
11 2 . 1 . 1 1 4 4 LEU HB2 H . . . . 4 . HB# rr_1bbl 4
11 2 . 2 . 1 1 5 5 GLU H H . . . . 5 . HN rr_1bbl 4
11 3 . 1 . 1 1 4 4 LEU HB3 H . . . . 4 . HB# rr_1bbl 4
11 3 . 2 . 1 1 5 5 GLU H H . . . . 5 . HN rr_1bbl 4
12 1 . 1 . 1 1 5 5 GLU H H . . . . 5 . HN rr_1bbl 4
12 1 . 2 . 1 1 6 6 GLU H H . . . . 6 . HN rr_1bbl 4
13 1 . 1 . 1 1 6 6 GLU HA H . . . . 6 . HA rr_1bbl 4
13 1 . 2 . 1 1 7 7 GLN H H . . . . 7 . HN rr_1bbl 4
14 1 . 1 . 1 1 7 7 GLN H H . . . . 7 . HN rr_1bbl 4
14 1 . 2 . 1 1 8 8 ASN H H . . . . 8 . HN rr_1bbl 4
15 1 . 1 . 1 1 7 7 GLN HA H . . . . 7 . HA rr_1bbl 4
15 1 . 2 . 1 1 8 8 ASN H H . . . . 8 . HN rr_1bbl 4
16 2 . 1 . 1 1 7 7 GLN HB3 H . . . . 7 . HB# rr_1bbl 4
16 2 . 2 . 1 1 8 8 ASN H H . . . . 8 . HN rr_1bbl 4
16 3 . 1 . 1 1 7 7 GLN HB2 H . . . . 7 . HB# rr_1bbl 4
16 3 . 2 . 1 1 8 8 ASN H H . . . . 8 . HN rr_1bbl 4
17 1 . 1 . 1 1 9 9 ASN H H . . . . 9 . HN rr_1bbl 4
17 1 . 2 . 1 1 10 10 ASP H H . . . . 10 . HN rr_1bbl 4
18 1 . 1 . 1 1 9 9 ASN HA H . . . . 9 . HA rr_1bbl 4
18 1 . 2 . 1 1 10 10 ASP H H . . . . 10 . HN rr_1bbl 4
19 2 . 1 . 1 1 9 9 ASN HB3 H . . . . 9 . HB# rr_1bbl 4
19 2 . 2 . 1 1 10 10 ASP H H . . . . 10 . HN rr_1bbl 4
19 3 . 1 . 1 1 9 9 ASN HB2 H . . . . 9 . HB# rr_1bbl 4
19 3 . 2 . 1 1 10 10 ASP H H . . . . 10 . HN rr_1bbl 4
20 1 . 1 . 1 1 10 10 ASP H H . . . . 10 . HN rr_1bbl 4
20 1 . 2 . 1 1 11 11 ALA H H . . . . 11 . HN rr_1bbl 4
21 1 . 1 . 1 1 10 10 ASP HA H . . . . 10 . HA rr_1bbl 4
21 1 . 2 . 1 1 11 11 ALA H H . . . . 11 . HN rr_1bbl 4
22 2 . 1 . 1 1 10 10 ASP HB2 H . . . . 10 . HB# rr_1bbl 4
22 2 . 2 . 1 1 11 11 ALA H H . . . . 11 . HN rr_1bbl 4
22 3 . 1 . 1 1 10 10 ASP HB3 H . . . . 10 . HB# rr_1bbl 4
22 3 . 2 . 1 1 11 11 ALA H H . . . . 11 . HN rr_1bbl 4
23 1 . 1 . 1 1 11 11 ALA H H . . . . 11 . HN rr_1bbl 4
23 1 . 2 . 1 1 12 12 LEU H H . . . . 12 . HN rr_1bbl 4
24 1 . 1 . 1 1 11 11 ALA MB H . . . . 11 . HB# rr_1bbl 4
24 1 . 2 . 1 1 12 12 LEU H H . . . . 12 . HN rr_1bbl 4
25 1 . 1 . 1 1 11 11 ALA HA H . . . . 11 . HA rr_1bbl 4
25 1 . 2 . 1 1 12 12 LEU H H . . . . 12 . HN rr_1bbl 4
26 1 . 1 . 1 1 12 12 LEU HA H . . . . 12 . HA rr_1bbl 4
26 1 . 2 . 1 1 13 13 SER H H . . . . 13 . HN rr_1bbl 4
27 2 . 1 . 1 1 12 12 LEU HB2 H . . . . 12 . HB# rr_1bbl 4
27 2 . 2 . 1 1 13 13 SER H H . . . . 13 . HN rr_1bbl 4
27 3 . 1 . 1 1 12 12 LEU HB3 H . . . . 12 . HB# rr_1bbl 4
27 3 . 2 . 1 1 13 13 SER H H . . . . 13 . HN rr_1bbl 4
28 2 . 1 . 1 1 12 12 LEU MD1 H . . . . 12 . HD* rr_1bbl 4
28 2 . 2 . 1 1 13 13 SER H H . . . . 13 . HN rr_1bbl 4
28 3 . 1 . 1 1 12 12 LEU MD2 H . . . . 12 . HD* rr_1bbl 4
28 3 . 2 . 1 1 13 13 SER H H . . . . 13 . HN rr_1bbl 4
29 1 . 1 . 1 1 13 13 SER H H . . . . 13 . HN rr_1bbl 4
29 1 . 2 . 1 1 14 14 PRO HD3 H . . . . 14 . HD1 rr_1bbl 4
30 1 . 1 . 1 1 13 13 SER H H . . . . 13 . HN rr_1bbl 4
30 1 . 2 . 1 1 14 14 PRO HD2 H . . . . 14 . HD2 rr_1bbl 4
31 1 . 1 . 1 1 13 13 SER HA H . . . . 13 . HA rr_1bbl 4
31 1 . 2 . 1 1 14 14 PRO HB3 H . . . . 14 . HB1 rr_1bbl 4
32 2 . 1 . 1 1 13 13 SER HA H . . . . 13 . HA rr_1bbl 4
32 2 . 2 . 1 1 14 14 PRO HG2 H . . . . 14 . HG# rr_1bbl 4
32 3 . 1 . 1 1 13 13 SER HA H . . . . 13 . HA rr_1bbl 4
32 3 . 2 . 1 1 14 14 PRO HG3 H . . . . 14 . HG# rr_1bbl 4
33 2 . 1 . 1 1 13 13 SER HA H . . . . 13 . HA rr_1bbl 4
33 2 . 2 . 1 1 14 14 PRO HD3 H . . . . 14 . HD# rr_1bbl 4
33 3 . 1 . 1 1 13 13 SER HA H . . . . 13 . HA rr_1bbl 4
33 3 . 2 . 1 1 14 14 PRO HD2 H . . . . 14 . HD# rr_1bbl 4
34 2 . 1 . 1 1 13 13 SER HB2 H . . . . 13 . HB# rr_1bbl 4
34 2 . 2 . 1 1 14 14 PRO HD3 H . . . . 14 . HD# rr_1bbl 4
34 3 . 1 . 1 1 13 13 SER HB3 H . . . . 13 . HB# rr_1bbl 4
34 3 . 2 . 1 1 14 14 PRO HD3 H . . . . 14 . HD# rr_1bbl 4
34 4 . 1 . 1 1 13 13 SER HB2 H . . . . 13 . HB# rr_1bbl 4
34 4 . 2 . 1 1 14 14 PRO HD2 H . . . . 14 . HD# rr_1bbl 4
34 5 . 1 . 1 1 13 13 SER HB3 H . . . . 13 . HB# rr_1bbl 4
34 5 . 2 . 1 1 14 14 PRO HD2 H . . . . 14 . HD# rr_1bbl 4
35 1 . 1 . 1 1 14 14 PRO HA H . . . . 14 . HA rr_1bbl 4
35 1 . 2 . 1 1 15 15 ALA H H . . . . 15 . HN rr_1bbl 4
36 1 . 1 . 1 1 14 14 PRO HB3 H . . . . 14 . HB1 rr_1bbl 4
36 1 . 2 . 1 1 15 15 ALA H H . . . . 15 . HN rr_1bbl 4
37 1 . 1 . 1 1 14 14 PRO HB2 H . . . . 14 . HB2 rr_1bbl 4
37 1 . 2 . 1 1 15 15 ALA H H . . . . 15 . HN rr_1bbl 4
38 2 . 1 . 1 1 14 14 PRO HG2 H . . . . 14 . HG# rr_1bbl 4
38 2 . 2 . 1 1 15 15 ALA H H . . . . 15 . HN rr_1bbl 4
38 3 . 1 . 1 1 14 14 PRO HG3 H . . . . 14 . HG# rr_1bbl 4
38 3 . 2 . 1 1 15 15 ALA H H . . . . 15 . HN rr_1bbl 4
39 2 . 1 . 1 1 14 14 PRO HD3 H . . . . 14 . HD# rr_1bbl 4
39 2 . 2 . 1 1 15 15 ALA H H . . . . 15 . HN rr_1bbl 4
39 3 . 1 . 1 1 14 14 PRO HD2 H . . . . 14 . HD# rr_1bbl 4
39 3 . 2 . 1 1 15 15 ALA H H . . . . 15 . HN rr_1bbl 4
40 1 . 1 . 1 1 15 15 ALA H H . . . . 15 . HN rr_1bbl 4
40 1 . 2 . 1 1 16 16 ILE H H . . . . 16 . HN rr_1bbl 4
41 1 . 1 . 1 1 15 15 ALA HA H . . . . 15 . HA rr_1bbl 4
41 1 . 2 . 1 1 16 16 ILE H H . . . . 16 . HN rr_1bbl 4
42 1 . 1 . 1 1 15 15 ALA MB H . . . . 15 . HB# rr_1bbl 4
42 1 . 2 . 1 1 16 16 ILE H H . . . . 16 . HN rr_1bbl 4
43 1 . 1 . 1 1 16 16 ILE H H . . . . 16 . HN rr_1bbl 4
43 1 . 2 . 1 1 17 17 ARG H H . . . . 17 . HN rr_1bbl 4
44 1 . 1 . 1 1 16 16 ILE HA H . . . . 16 . HA rr_1bbl 4
44 1 . 2 . 1 1 17 17 ARG H H . . . . 17 . HN rr_1bbl 4
45 1 . 1 . 1 1 16 16 ILE HB H . . . . 16 . HB rr_1bbl 4
45 1 . 2 . 1 1 17 17 ARG H H . . . . 17 . HN rr_1bbl 4
46 1 . 1 . 1 1 16 16 ILE MG H . . . . 16 . HG2# rr_1bbl 4
46 1 . 2 . 1 1 17 17 ARG H H . . . . 17 . HN rr_1bbl 4
47 1 . 1 . 1 1 16 16 ILE MG H . . . . 16 . HG2# rr_1bbl 4
47 1 . 2 . 1 1 17 17 ARG HA H . . . . 17 . HA rr_1bbl 4
48 1 . 1 . 1 1 16 16 ILE MG H . . . . 16 . HG2# rr_1bbl 4
48 1 . 2 . 1 1 17 17 ARG HE H . . . . 17 . HE rr_1bbl 4
49 1 . 1 . 1 1 17 17 ARG H H . . . . 17 . HN rr_1bbl 4
49 1 . 2 . 1 1 18 18 ARG H H . . . . 18 . HN rr_1bbl 4
50 1 . 1 . 1 1 17 17 ARG HA H . . . . 17 . HA rr_1bbl 4
50 1 . 2 . 1 1 18 18 ARG H H . . . . 18 . HN rr_1bbl 4
51 1 . 1 . 1 1 18 18 ARG H H . . . . 18 . HN rr_1bbl 4
51 1 . 2 . 1 1 19 19 LEU H H . . . . 19 . HN rr_1bbl 4
52 1 . 1 . 1 1 18 18 ARG HA H . . . . 18 . HA rr_1bbl 4
52 1 . 2 . 1 1 19 19 LEU H H . . . . 19 . HN rr_1bbl 4
53 1 . 1 . 1 1 18 18 ARG HB2 H . . . . 18 . HB2 rr_1bbl 4
53 1 . 2 . 1 1 19 19 LEU H H . . . . 19 . HN rr_1bbl 4
54 1 . 1 . 1 1 19 19 LEU H H . . . . 19 . HN rr_1bbl 4
54 1 . 2 . 1 1 20 20 LEU H H . . . . 20 . HN rr_1bbl 4
55 1 . 1 . 1 1 19 19 LEU HA H . . . . 19 . HA rr_1bbl 4
55 1 . 2 . 1 1 20 20 LEU H H . . . . 20 . HN rr_1bbl 4
56 1 . 1 . 1 1 19 19 LEU MD1 H . . . . 19 . HD1# rr_1bbl 4
56 1 . 2 . 1 1 20 20 LEU H H . . . . 20 . HN rr_1bbl 4
57 1 . 1 . 1 1 20 20 LEU H H . . . . 20 . HN rr_1bbl 4
57 1 . 2 . 1 1 21 21 ALA H H . . . . 21 . HN rr_1bbl 4
58 2 . 1 . 1 1 20 20 LEU HB2 H . . . . 20 . HB# rr_1bbl 4
58 2 . 2 . 1 1 21 21 ALA H H . . . . 21 . HN rr_1bbl 4
58 3 . 1 . 1 1 20 20 LEU HB3 H . . . . 20 . HB# rr_1bbl 4
58 3 . 2 . 1 1 21 21 ALA H H . . . . 21 . HN rr_1bbl 4
59 1 . 1 . 1 1 20 20 LEU HA H . . . . 20 . HA rr_1bbl 4
59 1 . 2 . 1 1 21 21 ALA H H . . . . 21 . HN rr_1bbl 4
60 1 . 1 . 1 1 21 21 ALA H H . . . . 21 . HN rr_1bbl 4
60 1 . 2 . 1 1 22 22 GLU H H . . . . 22 . HN rr_1bbl 4
61 1 . 1 . 1 1 21 21 ALA MB H . . . . 21 . HB# rr_1bbl 4
61 1 . 2 . 1 1 22 22 GLU H H . . . . 22 . HN rr_1bbl 4
62 1 . 1 . 1 1 21 21 ALA MB H . . . . 21 . HB# rr_1bbl 4
62 1 . 2 . 1 1 22 22 GLU HA H . . . . 22 . HA rr_1bbl 4
63 1 . 1 . 1 1 22 22 GLU H H . . . . 22 . HN rr_1bbl 4
63 1 . 2 . 1 1 23 23 HIS H H . . . . 23 . HN rr_1bbl 4
64 1 . 1 . 1 1 22 22 GLU H H . . . . 22 . HN rr_1bbl 4
64 1 . 2 . 1 1 23 23 HIS HD2 H . . . . 23 . HD2 rr_1bbl 4
65 1 . 1 . 1 1 22 22 GLU HA H . . . . 22 . HA rr_1bbl 4
65 1 . 2 . 1 1 23 23 HIS H H . . . . 23 . HN rr_1bbl 4
66 1 . 1 . 1 1 22 22 GLU HB3 H . . . . 22 . HB1 rr_1bbl 4
66 1 . 2 . 1 1 23 23 HIS H H . . . . 23 . HN rr_1bbl 4
67 1 . 1 . 1 1 22 22 GLU HB3 H . . . . 22 . HB1 rr_1bbl 4
67 1 . 2 . 1 1 23 23 HIS HD2 H . . . . 23 . HD2 rr_1bbl 4
68 1 . 1 . 1 1 22 22 GLU HB2 H . . . . 22 . HB2 rr_1bbl 4
68 1 . 2 . 1 1 23 23 HIS HD2 H . . . . 23 . HD2 rr_1bbl 4
69 2 . 1 . 1 1 22 22 GLU HG2 H . . . . 22 . HG# rr_1bbl 4
69 2 . 2 . 1 1 23 23 HIS HD2 H . . . . 23 . HD2 rr_1bbl 4
69 3 . 1 . 1 1 22 22 GLU HG3 H . . . . 22 . HG# rr_1bbl 4
69 3 . 2 . 1 1 23 23 HIS HD2 H . . . . 23 . HD2 rr_1bbl 4
70 1 . 1 . 1 1 22 22 GLU HB3 H . . . . 22 . HB1 rr_1bbl 4
70 1 . 2 . 1 1 23 23 HIS HE1 H . . . . 23 . HE1 rr_1bbl 4
71 1 . 1 . 1 1 22 22 GLU HB2 H . . . . 22 . HB2 rr_1bbl 4
71 1 . 2 . 1 1 23 23 HIS HE1 H . . . . 23 . HE1 rr_1bbl 4
72 1 . 1 . 1 1 23 23 HIS H H . . . . 23 . HN rr_1bbl 4
72 1 . 2 . 1 1 24 24 ASN H H . . . . 24 . HN rr_1bbl 4
73 2 . 1 . 1 1 23 23 HIS H H . . . . 23 . HN rr_1bbl 4
73 2 . 2 . 1 1 24 24 ASN HD22 H . . . . 24 . HD2# rr_1bbl 4
73 3 . 1 . 1 1 23 23 HIS H H . . . . 23 . HN rr_1bbl 4
73 3 . 2 . 1 1 24 24 ASN HD21 H . . . . 24 . HD2# rr_1bbl 4
74 1 . 1 . 1 1 23 23 HIS HA H . . . . 23 . HA rr_1bbl 4
74 1 . 2 . 1 1 24 24 ASN H H . . . . 24 . HN rr_1bbl 4
75 1 . 1 . 1 1 23 23 HIS HD2 H . . . . 23 . HD2 rr_1bbl 4
75 1 . 2 . 1 1 24 24 ASN H H . . . . 24 . HN rr_1bbl 4
76 1 . 1 . 1 1 24 24 ASN H H . . . . 24 . HN rr_1bbl 4
76 1 . 2 . 1 1 25 25 LEU H H . . . . 25 . HN rr_1bbl 4
77 1 . 1 . 1 1 24 24 ASN HA H . . . . 24 . HA rr_1bbl 4
77 1 . 2 . 1 1 25 25 LEU H H . . . . 25 . HN rr_1bbl 4
78 1 . 1 . 1 1 25 25 LEU HA H . . . . 25 . HA rr_1bbl 4
78 1 . 2 . 1 1 26 26 ASP H H . . . . 26 . HN rr_1bbl 4
79 1 . 1 . 1 1 25 25 LEU HB3 H . . . . 25 . HB1 rr_1bbl 4
79 1 . 2 . 1 1 26 26 ASP H H . . . . 26 . HN rr_1bbl 4
80 1 . 1 . 1 1 25 25 LEU HB2 H . . . . 25 . HB2 rr_1bbl 4
80 1 . 2 . 1 1 26 26 ASP H H . . . . 26 . HN rr_1bbl 4
81 1 . 1 . 1 1 25 25 LEU MD2 H . . . . 25 . HD2# rr_1bbl 4
81 1 . 2 . 1 1 26 26 ASP H H . . . . 26 . HN rr_1bbl 4
82 1 . 1 . 1 1 26 26 ASP H H . . . . 26 . HN rr_1bbl 4
82 1 . 2 . 1 1 27 27 ALA H H . . . . 27 . HN rr_1bbl 4
83 1 . 1 . 1 1 26 26 ASP HA H . . . . 26 . HA rr_1bbl 4
83 1 . 2 . 1 1 27 27 ALA H H . . . . 27 . HN rr_1bbl 4
84 1 . 1 . 1 1 26 26 ASP HB3 H . . . . 26 . HB1 rr_1bbl 4
84 1 . 2 . 1 1 27 27 ALA H H . . . . 27 . HN rr_1bbl 4
85 1 . 1 . 1 1 26 26 ASP HB2 H . . . . 26 . HB2 rr_1bbl 4
85 1 . 2 . 1 1 27 27 ALA H H . . . . 27 . HN rr_1bbl 4
86 1 . 1 . 1 1 27 27 ALA H H . . . . 27 . HN rr_1bbl 4
86 1 . 2 . 1 1 28 28 SER H H . . . . 28 . HN rr_1bbl 4
87 1 . 1 . 1 1 27 27 ALA HA H . . . . 27 . HA rr_1bbl 4
87 1 . 2 . 1 1 28 28 SER H H . . . . 28 . HN rr_1bbl 4
88 1 . 1 . 1 1 27 27 ALA MB H . . . . 27 . HB# rr_1bbl 4
88 1 . 2 . 1 1 28 28 SER H H . . . . 28 . HN rr_1bbl 4
89 1 . 1 . 1 1 28 28 SER H H . . . . 28 . HN rr_1bbl 4
89 1 . 2 . 1 1 29 29 ALA H H . . . . 29 . HN rr_1bbl 4
90 1 . 1 . 1 1 28 28 SER HA H . . . . 28 . HA rr_1bbl 4
90 1 . 2 . 1 1 29 29 ALA H H . . . . 29 . HN rr_1bbl 4
91 2 . 1 . 1 1 28 28 SER HB2 H . . . . 28 . HB# rr_1bbl 4
91 2 . 2 . 1 1 29 29 ALA H H . . . . 29 . HN rr_1bbl 4
91 3 . 1 . 1 1 28 28 SER HB3 H . . . . 28 . HB# rr_1bbl 4
91 3 . 2 . 1 1 29 29 ALA H H . . . . 29 . HN rr_1bbl 4
92 1 . 1 . 1 1 29 29 ALA H H . . . . 29 . HN rr_1bbl 4
92 1 . 2 . 1 1 30 30 ILE H H . . . . 30 . HN rr_1bbl 4
93 1 . 1 . 1 1 29 29 ALA HA H . . . . 29 . HA rr_1bbl 4
93 1 . 2 . 1 1 30 30 ILE H H . . . . 30 . HN rr_1bbl 4
94 1 . 1 . 1 1 29 29 ALA MB H . . . . 29 . HB# rr_1bbl 4
94 1 . 2 . 1 1 30 30 ILE H H . . . . 30 . HN rr_1bbl 4
95 1 . 1 . 1 1 29 29 ALA MB H . . . . 29 . HB# rr_1bbl 4
95 1 . 2 . 1 1 30 30 ILE HG13 H . . . . 30 . HG11 rr_1bbl 4
96 1 . 1 . 1 1 29 29 ALA MB H . . . . 29 . HB# rr_1bbl 4
96 1 . 2 . 1 1 30 30 ILE HG12 H . . . . 30 . HG12 rr_1bbl 4
97 1 . 1 . 1 1 29 29 ALA MB H . . . . 29 . HB# rr_1bbl 4
97 1 . 2 . 1 1 30 30 ILE MD H . . . . 30 . HD# rr_1bbl 4
98 1 . 1 . 1 1 30 30 ILE H H . . . . 30 . HN rr_1bbl 4
98 1 . 2 . 1 1 31 31 LYS H H . . . . 31 . HN rr_1bbl 4
99 1 . 1 . 1 1 30 30 ILE HA H . . . . 30 . HA rr_1bbl 4
99 1 . 2 . 1 1 31 31 LYS H H . . . . 31 . HN rr_1bbl 4
100 1 . 1 . 1 1 30 30 ILE MG H . . . . 30 . HG2# rr_1bbl 4
100 1 . 2 . 1 1 31 31 LYS H H . . . . 31 . HN rr_1bbl 4
101 1 . 1 . 1 1 31 31 LYS HA H . . . . 31 . HA rr_1bbl 4
101 1 . 2 . 1 1 32 32 GLY H H . . . . 32 . HN rr_1bbl 4
102 1 . 1 . 1 1 32 32 GLY H H . . . . 32 . HN rr_1bbl 4
102 1 . 2 . 1 1 33 33 THR H H . . . . 33 . HN rr_1bbl 4
103 1 . 1 . 1 1 32 32 GLY HA3 H . . . . 32 . HA1 rr_1bbl 4
103 1 . 2 . 1 1 33 33 THR H H . . . . 33 . HN rr_1bbl 4
104 1 . 1 . 1 1 32 32 GLY HA2 H . . . . 32 . HA2 rr_1bbl 4
104 1 . 2 . 1 1 33 33 THR H H . . . . 33 . HN rr_1bbl 4
105 1 . 1 . 1 1 33 33 THR H H . . . . 33 . HN rr_1bbl 4
105 1 . 2 . 1 1 34 34 GLY H H . . . . 34 . HN rr_1bbl 4
106 1 . 1 . 1 1 33 33 THR HA H . . . . 33 . HA rr_1bbl 4
106 1 . 2 . 1 1 34 34 GLY H H . . . . 34 . HN rr_1bbl 4
107 1 . 1 . 1 1 33 33 THR HB H . . . . 33 . HB rr_1bbl 4
107 1 . 2 . 1 1 34 34 GLY H H . . . . 34 . HN rr_1bbl 4
108 1 . 1 . 1 1 33 33 THR MG H . . . . 33 . HG2# rr_1bbl 4
108 1 . 2 . 1 1 34 34 GLY H H . . . . 34 . HN rr_1bbl 4
109 1 . 1 . 1 1 34 34 GLY H H . . . . 34 . HN rr_1bbl 4
109 1 . 2 . 1 1 35 35 VAL H H . . . . 35 . HN rr_1bbl 4
110 1 . 1 . 1 1 34 34 GLY HA3 H . . . . 34 . HA1 rr_1bbl 4
110 1 . 2 . 1 1 35 35 VAL H H . . . . 35 . HN rr_1bbl 4
111 1 . 1 . 1 1 34 34 GLY HA2 H . . . . 34 . HA2 rr_1bbl 4
111 1 . 2 . 1 1 35 35 VAL H H . . . . 35 . HN rr_1bbl 4
112 1 . 1 . 1 1 35 35 VAL H H . . . . 35 . HN rr_1bbl 4
112 1 . 2 . 1 1 36 36 GLY H H . . . . 36 . HN rr_1bbl 4
113 1 . 1 . 1 1 35 35 VAL MG1 H . . . . 35 . HG1# rr_1bbl 4
113 1 . 2 . 1 1 36 36 GLY H H . . . . 36 . HN rr_1bbl 4
114 1 . 1 . 1 1 35 35 VAL MG2 H . . . . 35 . HG2# rr_1bbl 4
114 1 . 2 . 1 1 36 36 GLY H H . . . . 36 . HN rr_1bbl 4
115 1 . 1 . 1 1 36 36 GLY H H . . . . 36 . HN rr_1bbl 4
115 1 . 2 . 1 1 37 37 GLY H H . . . . 37 . HN rr_1bbl 4
116 1 . 1 . 1 1 36 36 GLY HA3 H . . . . 36 . HA1 rr_1bbl 4
116 1 . 2 . 1 1 37 37 GLY H H . . . . 37 . HN rr_1bbl 4
117 1 . 1 . 1 1 36 36 GLY HA2 H . . . . 36 . HA2 rr_1bbl 4
117 1 . 2 . 1 1 37 37 GLY H H . . . . 37 . HN rr_1bbl 4
118 1 . 1 . 1 1 37 37 GLY H H . . . . 37 . HN rr_1bbl 4
118 1 . 2 . 1 1 38 38 ARG H H . . . . 38 . HN rr_1bbl 4
119 1 . 1 . 1 1 38 38 ARG H H . . . . 38 . HN rr_1bbl 4
119 1 . 2 . 1 1 39 39 LEU H H . . . . 39 . HN rr_1bbl 4
120 1 . 1 . 1 1 38 38 ARG HA H . . . . 38 . HA rr_1bbl 4
120 1 . 2 . 1 1 39 39 LEU H H . . . . 39 . HN rr_1bbl 4
121 1 . 1 . 1 1 38 38 ARG HA H . . . . 38 . HA rr_1bbl 4
121 1 . 2 . 1 1 39 39 LEU HA H . . . . 39 . HA rr_1bbl 4
122 1 . 1 . 1 1 39 39 LEU H H . . . . 39 . HN rr_1bbl 4
122 1 . 2 . 1 1 40 40 THR H H . . . . 40 . HN rr_1bbl 4
123 1 . 1 . 1 1 39 39 LEU HA H . . . . 39 . HA rr_1bbl 4
123 1 . 2 . 1 1 40 40 THR H H . . . . 40 . HN rr_1bbl 4
124 1 . 1 . 1 1 39 39 LEU HA H . . . . 39 . HA rr_1bbl 4
124 1 . 2 . 1 1 40 40 THR MG H . . . . 40 . HG2# rr_1bbl 4
125 2 . 1 . 1 1 39 39 LEU HB2 H . . . . 39 . HB# rr_1bbl 4
125 2 . 2 . 1 1 40 40 THR H H . . . . 40 . HN rr_1bbl 4
125 3 . 1 . 1 1 39 39 LEU HB3 H . . . . 39 . HB# rr_1bbl 4
125 3 . 2 . 1 1 40 40 THR H H . . . . 40 . HN rr_1bbl 4
126 1 . 1 . 1 1 39 39 LEU MD1 H . . . . 39 . HD1# rr_1bbl 4
126 1 . 2 . 1 1 40 40 THR H H . . . . 40 . HN rr_1bbl 4
127 1 . 1 . 1 1 39 39 LEU MD2 H . . . . 39 . HD2# rr_1bbl 4
127 1 . 2 . 1 1 40 40 THR H H . . . . 40 . HN rr_1bbl 4
128 1 . 1 . 1 1 40 40 THR HA H . . . . 40 . HA rr_1bbl 4
128 1 . 2 . 1 1 41 41 ARG H H . . . . 41 . HN rr_1bbl 4
129 1 . 1 . 1 1 40 40 THR HA H . . . . 40 . HA rr_1bbl 4
129 1 . 2 . 1 1 41 41 ARG HA H . . . . 41 . HA rr_1bbl 4
130 1 . 1 . 1 1 40 40 THR HB H . . . . 40 . HB rr_1bbl 4
130 1 . 2 . 1 1 41 41 ARG H H . . . . 41 . HN rr_1bbl 4
131 1 . 1 . 1 1 40 40 THR HB H . . . . 40 . HB rr_1bbl 4
131 1 . 2 . 1 1 41 41 ARG HA H . . . . 41 . HA rr_1bbl 4
132 1 . 1 . 1 1 40 40 THR MG H . . . . 40 . HG2# rr_1bbl 4
132 1 . 2 . 1 1 41 41 ARG H H . . . . 41 . HN rr_1bbl 4
133 1 . 1 . 1 1 41 41 ARG H H . . . . 41 . HN rr_1bbl 4
133 1 . 2 . 1 1 42 42 GLU H H . . . . 42 . HN rr_1bbl 4
134 1 . 1 . 1 1 41 41 ARG HA H . . . . 41 . HA rr_1bbl 4
134 1 . 2 . 1 1 42 42 GLU H H . . . . 42 . HN rr_1bbl 4
135 1 . 1 . 1 1 41 41 ARG HB3 H . . . . 41 . HB1 rr_1bbl 4
135 1 . 2 . 1 1 42 42 GLU H H . . . . 42 . HN rr_1bbl 4
136 2 . 1 . 1 1 41 41 ARG HG2 H . . . . 41 . HG# rr_1bbl 4
136 2 . 2 . 1 1 42 42 GLU H H . . . . 42 . HN rr_1bbl 4
136 3 . 1 . 1 1 41 41 ARG HG3 H . . . . 41 . HG# rr_1bbl 4
136 3 . 2 . 1 1 42 42 GLU H H . . . . 42 . HN rr_1bbl 4
137 1 . 1 . 1 1 42 42 GLU H H . . . . 42 . HN rr_1bbl 4
137 1 . 2 . 1 1 43 43 ASP H H . . . . 43 . HN rr_1bbl 4
138 1 . 1 . 1 1 42 42 GLU HA H . . . . 42 . HA rr_1bbl 4
138 1 . 2 . 1 1 43 43 ASP H H . . . . 43 . HN rr_1bbl 4
139 1 . 1 . 1 1 42 42 GLU HB3 H . . . . 42 . HB1 rr_1bbl 4
139 1 . 2 . 1 1 43 43 ASP H H . . . . 43 . HN rr_1bbl 4
140 1 . 1 . 1 1 42 42 GLU HB2 H . . . . 42 . HB2 rr_1bbl 4
140 1 . 2 . 1 1 43 43 ASP H H . . . . 43 . HN rr_1bbl 4
141 1 . 1 . 1 1 43 43 ASP H H . . . . 43 . HN rr_1bbl 4
141 1 . 2 . 1 1 44 44 VAL H H . . . . 44 . HN rr_1bbl 4
142 1 . 1 . 1 1 43 43 ASP HA H . . . . 43 . HA rr_1bbl 4
142 1 . 2 . 1 1 44 44 VAL H H . . . . 44 . HN rr_1bbl 4
143 1 . 1 . 1 1 43 43 ASP HB2 H . . . . 43 . HB2 rr_1bbl 4
143 1 . 2 . 1 1 44 44 VAL H H . . . . 44 . HN rr_1bbl 4
144 1 . 1 . 1 1 43 43 ASP HB3 H . . . . 43 . HB1 rr_1bbl 4
144 1 . 2 . 1 1 44 44 VAL H H . . . . 44 . HN rr_1bbl 4
145 1 . 1 . 1 1 43 43 ASP HB3 H . . . . 43 . HB1 rr_1bbl 4
145 1 . 2 . 1 1 44 44 VAL HA H . . . . 44 . HA rr_1bbl 4
146 1 . 1 . 1 1 43 43 ASP HB3 H . . . . 43 . HB1 rr_1bbl 4
146 1 . 2 . 1 1 44 44 VAL MG2 H . . . . 44 . HG2# rr_1bbl 4
147 1 . 1 . 1 1 43 43 ASP HB2 H . . . . 43 . HB2 rr_1bbl 4
147 1 . 2 . 1 1 44 44 VAL MG2 H . . . . 44 . HG2# rr_1bbl 4
148 1 . 1 . 1 1 44 44 VAL H H . . . . 44 . HN rr_1bbl 4
148 1 . 2 . 1 1 45 45 GLU H H . . . . 45 . HN rr_1bbl 4
149 1 . 1 . 1 1 44 44 VAL HA H . . . . 44 . HA rr_1bbl 4
149 1 . 2 . 1 1 45 45 GLU H H . . . . 45 . HN rr_1bbl 4
150 1 . 1 . 1 1 44 44 VAL HB H . . . . 44 . HB rr_1bbl 4
150 1 . 2 . 1 1 45 45 GLU H H . . . . 45 . HN rr_1bbl 4
151 1 . 1 . 1 1 44 44 VAL MG1 H . . . . 44 . HG1# rr_1bbl 4
151 1 . 2 . 1 1 45 45 GLU H H . . . . 45 . HN rr_1bbl 4
152 1 . 1 . 1 1 44 44 VAL MG2 H . . . . 44 . HG2# rr_1bbl 4
152 1 . 2 . 1 1 45 45 GLU H H . . . . 45 . HN rr_1bbl 4
153 1 . 1 . 1 1 45 45 GLU H H . . . . 45 . HN rr_1bbl 4
153 1 . 2 . 1 1 46 46 LYS H H . . . . 46 . HN rr_1bbl 4
154 1 . 1 . 1 1 45 45 GLU HA H . . . . 45 . HA rr_1bbl 4
154 1 . 2 . 1 1 46 46 LYS H H . . . . 46 . HN rr_1bbl 4
155 1 . 1 . 1 1 45 45 GLU HB3 H . . . . 45 . HB1 rr_1bbl 4
155 1 . 2 . 1 1 46 46 LYS H H . . . . 46 . HN rr_1bbl 4
156 1 . 1 . 1 1 45 45 GLU HB2 H . . . . 45 . HB2 rr_1bbl 4
156 1 . 2 . 1 1 46 46 LYS H H . . . . 46 . HN rr_1bbl 4
157 1 . 1 . 1 1 46 46 LYS H H . . . . 46 . HN rr_1bbl 4
157 1 . 2 . 1 1 47 47 HIS H H . . . . 47 . HN rr_1bbl 4
158 1 . 1 . 1 1 46 46 LYS HA H . . . . 46 . HA rr_1bbl 4
158 1 . 2 . 1 1 47 47 HIS H H . . . . 47 . HN rr_1bbl 4
159 2 . 1 . 1 1 46 46 LYS HB2 H . . . . 46 . HB# rr_1bbl 4
159 2 . 2 . 1 1 47 47 HIS H H . . . . 47 . HN rr_1bbl 4
159 3 . 1 . 1 1 46 46 LYS HB3 H . . . . 46 . HB# rr_1bbl 4
159 3 . 2 . 1 1 47 47 HIS H H . . . . 47 . HN rr_1bbl 4
160 1 . 1 . 1 1 47 47 HIS H H . . . . 47 . HN rr_1bbl 4
160 1 . 2 . 1 1 48 48 LEU H H . . . . 48 . HN rr_1bbl 4
161 1 . 1 . 1 1 47 47 HIS HA H . . . . 47 . HA rr_1bbl 4
161 1 . 2 . 1 1 48 48 LEU H H . . . . 48 . HN rr_1bbl 4
162 1 . 1 . 1 1 47 47 HIS HB3 H . . . . 47 . HB1 rr_1bbl 4
162 1 . 2 . 1 1 48 48 LEU H H . . . . 48 . HN rr_1bbl 4
163 1 . 1 . 1 1 47 47 HIS HB2 H . . . . 47 . HB2 rr_1bbl 4
163 1 . 2 . 1 1 48 48 LEU H H . . . . 48 . HN rr_1bbl 4
164 1 . 1 . 1 1 47 47 HIS HD2 H . . . . 47 . HD2 rr_1bbl 4
164 1 . 2 . 1 1 48 48 LEU HA H . . . . 48 . HA rr_1bbl 4
165 1 . 1 . 1 1 48 48 LEU H H . . . . 48 . HN rr_1bbl 4
165 1 . 2 . 1 1 49 49 ALA H H . . . . 49 . HN rr_1bbl 4
166 1 . 1 . 1 1 48 48 LEU HB2 H . . . . 48 . HB2 rr_1bbl 4
166 1 . 2 . 1 1 49 49 ALA H H . . . . 49 . HN rr_1bbl 4
167 1 . 1 . 1 1 48 48 LEU HA H . . . . 48 . HA rr_1bbl 4
167 1 . 2 . 1 1 49 49 ALA H H . . . . 49 . HN rr_1bbl 4
168 1 . 1 . 1 1 49 49 ALA MB H . . . . 49 . HB# rr_1bbl 4
168 1 . 2 . 1 1 50 50 LYS H H . . . . 50 . HN rr_1bbl 4
169 1 . 1 . 1 1 50 50 LYS HA H . . . . 50 . HA rr_1bbl 4
169 1 . 2 . 1 1 51 51 ALA H H . . . . 51 . HN rr_1bbl 4
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Spectral_peak_list_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 4
2 2 . . . . . . 4.0 1.8 6.0 rr_1bbl 4
2 3 . . . . . . 4.0 1.8 6.0 rr_1bbl 4
3 1 . . . . . . 5.0 2.5 8.0 rr_1bbl 4
4 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 4
5 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 4
6 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 4
7 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 4
8 2 . . . . . . 4.0 1.8 6.0 rr_1bbl 4
8 3 . . . . . . 4.0 1.8 6.0 rr_1bbl 4
9 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 4
10 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 4
11 2 . . . . . . 4.0 1.8 6.0 rr_1bbl 4
11 3 . . . . . . 4.0 1.8 6.0 rr_1bbl 4
12 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 4
13 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 4
14 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 4
15 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 4
16 2 . . . . . . 4.0 1.8 6.0 rr_1bbl 4
16 3 . . . . . . 4.0 1.8 6.0 rr_1bbl 4
17 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 4
18 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 4
19 2 . . . . . . 4.0 1.8 6.0 rr_1bbl 4
19 3 . . . . . . 4.0 1.8 6.0 rr_1bbl 4
20 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 4
21 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 4
22 2 . . . . . . 4.0 1.8 6.0 rr_1bbl 4
22 3 . . . . . . 4.0 1.8 6.0 rr_1bbl 4
23 1 . . . . . . 5.0 2.5 6.0 rr_1bbl 4
24 1 . . . . . . 3.0 1.8 4.8 rr_1bbl 4
25 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 4
26 1 . . . . . . 2.5 1.8 2.8 rr_1bbl 4
27 2 . . . . . . 4.0 1.8 6.0 rr_1bbl 4
27 3 . . . . . . 4.0 1.8 6.0 rr_1bbl 4
28 2 . . . . . . 3.0 1.8 5.7 rr_1bbl 4
28 3 . . . . . . 3.0 1.8 5.7 rr_1bbl 4
29 1 . . . . . . 3.5 2.5 23.5 rr_1bbl 4
30 1 . . . . . . 3.5 2.5 23.5 rr_1bbl 4
31 1 . . . . . . 5.0 2.5 6.0 rr_1bbl 4
32 2 . . . . . . 4.0 1.8 6.0 rr_1bbl 4
32 3 . . . . . . 4.0 1.8 6.0 rr_1bbl 4
33 2 . . . . . . 3.0 1.8 4.3 rr_1bbl 4
33 3 . . . . . . 3.0 1.8 4.3 rr_1bbl 4
34 2 . . . . . . 3.0 1.8 5.3 rr_1bbl 4
34 3 . . . . . . 3.0 1.8 5.3 rr_1bbl 4
34 4 . . . . . . 3.0 1.8 5.3 rr_1bbl 4
34 5 . . . . . . 3.0 1.8 5.3 rr_1bbl 4
35 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 4
36 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 4
37 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 4
38 2 . . . . . . 5.0 2.5 7.0 rr_1bbl 4
38 3 . . . . . . 5.0 2.5 7.0 rr_1bbl 4
39 2 . . . . . . 4.0 1.8 6.0 rr_1bbl 4
39 3 . . . . . . 4.0 1.8 6.0 rr_1bbl 4
40 1 . . . . . . 2.5 1.8 2.8 rr_1bbl 4
41 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 4
42 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 4
43 1 . . . . . . 2.5 1.8 2.8 rr_1bbl 4
44 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 4
45 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 4
46 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 4
47 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 4
48 1 . . . . . . 5.0 2.5 7.5 rr_1bbl 4
49 1 . . . . . . 2.5 1.8 2.8 rr_1bbl 4
50 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 4
51 1 . . . . . . 2.5 1.8 2.8 rr_1bbl 4
52 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 4
53 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 4
54 1 . . . . . . 2.5 1.8 2.8 rr_1bbl 4
55 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 4
56 1 . . . . . . 5.0 2.5 7.5 rr_1bbl 4
57 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 4
58 2 . . . . . . 3.0 1.8 4.8 rr_1bbl 4
58 3 . . . . . . 3.0 1.8 4.8 rr_1bbl 4
59 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 4
60 1 . . . . . . 2.5 1.8 2.8 rr_1bbl 4
61 1 . . . . . . 3.0 1.8 4.8 rr_1bbl 4
62 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 4
63 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 4
64 1 . . . . . . 5.0 2.5 6.0 rr_1bbl 4
65 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 4
66 1 . . . . . . 5.0 2.5 6.0 rr_1bbl 4
67 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 4
68 1 . . . . . . 5.0 2.5 6.0 rr_1bbl 4
69 2 . . . . . . 5.0 2.5 7.0 rr_1bbl 4
69 3 . . . . . . 5.0 2.5 7.0 rr_1bbl 4
70 1 . . . . . . 5.0 2.5 6.0 rr_1bbl 4
71 1 . . . . . . 5.0 2.5 6.0 rr_1bbl 4
72 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 4
73 2 . . . . . . 5.0 2.5 7.0 rr_1bbl 4
73 3 . . . . . . 5.0 2.5 7.0 rr_1bbl 4
74 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 4
75 1 . . . . . . 5.0 2.5 6.0 rr_1bbl 4
76 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 4
77 1 . . . . . . 2.5 1.8 2.8 rr_1bbl 4
78 1 . . . . . . 2.5 1.8 2.8 rr_1bbl 4
79 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 4
80 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 4
81 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 4
82 1 . . . . . . 5.0 2.5 6.0 rr_1bbl 4
83 1 . . . . . . 2.5 1.8 2.8 rr_1bbl 4
84 1 . . . . . . 5.0 2.5 6.0 rr_1bbl 4
85 1 . . . . . . 5.0 2.5 6.0 rr_1bbl 4
86 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 4
87 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 4
88 1 . . . . . . 3.0 1.8 4.8 rr_1bbl 4
89 1 . . . . . . 2.5 1.8 2.8 rr_1bbl 4
90 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 4
91 2 . . . . . . 5.0 2.5 7.0 rr_1bbl 4
91 3 . . . . . . 5.0 2.5 7.0 rr_1bbl 4
92 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 4
93 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 4
94 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 4
95 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 4
96 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 4
97 1 . . . . . . 5.0 2.5 9.0 rr_1bbl 4
98 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 4
99 1 . . . . . . 2.5 1.8 2.8 rr_1bbl 4
100 1 . . . . . . 3.0 1.8 4.8 rr_1bbl 4
101 1 . . . . . . 2.5 1.8 2.8 rr_1bbl 4
102 1 . . . . . . 3.5 2.5 23.5 rr_1bbl 4
103 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 4
104 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 4
105 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 4
106 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 4
107 1 . . . . . . 5.0 2.5 6.0 rr_1bbl 4
108 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 4
109 1 . . . . . . 5.0 2.5 6.0 rr_1bbl 4
110 1 . . . . . . 2.5 1.8 2.8 rr_1bbl 4
111 1 . . . . . . 2.5 1.8 2.8 rr_1bbl 4
112 1 . . . . . . 5.0 2.5 6.0 rr_1bbl 4
113 1 . . . . . . 3.0 1.8 4.8 rr_1bbl 4
114 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 4
115 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 4
116 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 4
117 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 4
118 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 4
119 1 . . . . . . 5.0 2.5 6.0 rr_1bbl 4
120 1 . . . . . . 2.5 1.8 2.8 rr_1bbl 4
121 1 . . . . . . 5.0 2.5 6.0 rr_1bbl 4
122 1 . . . . . . 5.0 2.5 6.0 rr_1bbl 4
123 1 . . . . . . 2.5 1.8 2.8 rr_1bbl 4
124 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 4
125 2 . . . . . . 5.0 2.5 7.0 rr_1bbl 4
125 3 . . . . . . 5.0 2.5 7.0 rr_1bbl 4
126 1 . . . . . . 5.0 2.5 7.5 rr_1bbl 4
127 1 . . . . . . 5.0 2.5 7.5 rr_1bbl 4
128 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 4
129 1 . . . . . . 5.0 2.5 6.0 rr_1bbl 4
130 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 4
131 1 . . . . . . 5.0 2.5 6.0 rr_1bbl 4
132 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 4
133 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 4
134 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 4
135 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 4
136 2 . . . . . . 5.0 2.5 7.0 rr_1bbl 4
136 3 . . . . . . 5.0 2.5 7.0 rr_1bbl 4
137 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 4
138 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 4
139 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 4
140 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 4
141 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 4
142 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 4
143 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 4
144 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 4
145 1 . . . . . . 5.0 2.5 6.0 rr_1bbl 4
146 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 4
147 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 4
148 1 . . . . . . 2.5 1.8 2.8 rr_1bbl 4
149 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 4
150 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 4
151 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 4
152 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 4
153 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 4
154 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 4
155 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 4
156 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 4
157 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 4
158 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 4
159 2 . . . . . . 4.0 1.8 6.0 rr_1bbl 4
159 3 . . . . . . 4.0 1.8 6.0 rr_1bbl 4
160 1 . . . . . . 3.0 1.8 3.3 rr_1bbl 4
161 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 4
162 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 4
163 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 4
164 1 . . . . . . 5.0 2.5 6.0 rr_1bbl 4
165 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 4
166 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 4
167 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 4
168 1 . . . . . . 4.0 1.8 6.5 rr_1bbl 4
169 1 . . . . . . 4.0 1.8 5.0 rr_1bbl 4
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1 "! residue 1 TYR" 1 1 1 17 rr_1bbl 4
2 "! residue 2 ALA" 6 1 6 70 rr_1bbl 4
3 "! residue 3 SER" 11 1 11 70 rr_1bbl 4
4 "! residue 4 LEU" 15 1 15 67 rr_1bbl 4
5 "! residue 5 GLU" 20 1 20 78 rr_1bbl 4
6 "! residue 6 GLU" 23 1 23 78 rr_1bbl 4
7 "! residue 7 GLN" 26 1 26 78 rr_1bbl 4
8 "! residue 9 ASN" 32 1 32 75 rr_1bbl 4
9 "! residue 10 ASP" 37 1 37 78 rr_1bbl 4
10 "! residue 11 ALA" 42 1 42 71 rr_1bbl 4
11 "! residue 12 LEU" 47 1 47 68 rr_1bbl 4
12 "! residue 13 SER" 52 1 52 71 rr_1bbl 4
13 "! residue 14 PRO" 60 1 60 75 rr_1bbl 4
14 "! residue 15 ALA" 67 1 67 71 rr_1bbl 4
15 "! residue 16 ILE" 72 1 72 74 rr_1bbl 4
16 "! residue 17 ARG" 80 1 80 81 rr_1bbl 4
17 "! residue 18 ARG" 84 1 84 81 rr_1bbl 4
18 "! residue 19 LEU" 89 1 89 68 rr_1bbl 4
19 "! residue 20 LEU" 94 1 94 68 rr_1bbl 4
20 "! residue 21 ALA" 99 1 99 71 rr_1bbl 4
21 "! residue 22 GLU" 104 1 104 79 rr_1bbl 4
22 "! residue 23 HIS" 115 1 115 69 rr_1bbl 4
23 "! residue 24 ASN" 121 1 121 76 rr_1bbl 4
24 "! residue 25 LEU" 125 1 125 68 rr_1bbl 4
25 "! residue 26 ASP" 131 1 131 78 rr_1bbl 4
26 "! residue 27 ALA" 137 1 137 71 rr_1bbl 4
27 "! residue 28 SER" 142 1 142 71 rr_1bbl 4
28 "! residue 29 ALA" 147 1 147 71 rr_1bbl 4
29 "! residue 30 ILE" 155 1 155 76 rr_1bbl 4
30 "! residue 31 LYS" 160 1 160 75 rr_1bbl 4
31 "! residue 32 GLY" 163 1 163 72 rr_1bbl 4
32 "! residue 33 THR" 168 1 168 75 rr_1bbl 4
33 "! residue 34 GLY" 174 1 174 72 rr_1bbl 4
34 "! residue 35 VAL" 179 1 179 71 rr_1bbl 4
35 "! residue 36 GLY" 184 1 184 72 rr_1bbl 4
36 "! residue 37 GLY" 189 1 189 72 rr_1bbl 4
37 "! residue 38 ARG" 192 1 192 81 rr_1bbl 4
38 "! residue 39 LEU" 197 1 197 72 rr_1bbl 4
39 "! residue 40 THR" 205 1 205 75 rr_1bbl 4
40 "! residue 41 ARG" 212 1 212 81 rr_1bbl 4
41 "! residue 42 GLU" 218 1 218 79 rr_1bbl 4
42 "! residue 43 ASP" 224 1 224 78 rr_1bbl 4
43 "! residue 44 VAL" 233 1 233 71 rr_1bbl 4
44 "! residue 45 GLU" 240 1 240 79 rr_1bbl 4
45 "! residue 46 LYS" 246 1 246 75 rr_1bbl 4
46 "! residue 47 HIS" 251 1 251 69 rr_1bbl 4
47 "! residue 48 LEU" 258 1 258 68 rr_1bbl 4
48 "! residue 49 ALA" 263 1 263 71 rr_1bbl 4
49 "! residue 50 LYS" 266 1 266 75 rr_1bbl 4
stop_
save_
save_CNS/XPLOR_dihedral_10
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Sf_framecode CNS/XPLOR_dihedral_10
_Torsion_angle_constraint_list.Entry_ID rr_1bbl
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Details "Generated by Wattos"
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 10
loop_
_Torsion_angle_constraint_software.Software_ID
_Torsion_angle_constraint_software.Software_label
_Torsion_angle_constraint_software.Method_ID
_Torsion_angle_constraint_software.Method_label
_Torsion_angle_constraint_software.Entry_ID
_Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID
. . . . rr_1bbl 1
stop_
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Atom_type_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Atom_type_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Atom_type_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Atom_type_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.PDB_record_ID_1
_Torsion_angle_constraint.PDB_model_num_1
_Torsion_angle_constraint.PDB_strand_ID_1
_Torsion_angle_constraint.PDB_ins_code_1
_Torsion_angle_constraint.PDB_residue_no_1
_Torsion_angle_constraint.PDB_residue_name_1
_Torsion_angle_constraint.PDB_atom_name_1
_Torsion_angle_constraint.PDB_record_ID_2
_Torsion_angle_constraint.PDB_model_num_2
_Torsion_angle_constraint.PDB_strand_ID_2
_Torsion_angle_constraint.PDB_ins_code_2
_Torsion_angle_constraint.PDB_residue_no_2
_Torsion_angle_constraint.PDB_residue_name_2
_Torsion_angle_constraint.PDB_atom_name_2
_Torsion_angle_constraint.PDB_record_ID_3
_Torsion_angle_constraint.PDB_model_num_3
_Torsion_angle_constraint.PDB_strand_ID_3
_Torsion_angle_constraint.PDB_ins_code_3
_Torsion_angle_constraint.PDB_residue_no_3
_Torsion_angle_constraint.PDB_residue_name_3
_Torsion_angle_constraint.PDB_atom_name_3
_Torsion_angle_constraint.PDB_record_ID_4
_Torsion_angle_constraint.PDB_model_num_4
_Torsion_angle_constraint.PDB_strand_ID_4
_Torsion_angle_constraint.PDB_ins_code_4
_Torsion_angle_constraint.PDB_residue_no_4
_Torsion_angle_constraint.PDB_residue_name_4
_Torsion_angle_constraint.PDB_atom_name_4
_Torsion_angle_constraint.Auth_entity_assembly_ID_1
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_chain_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_alt_ID_1
_Torsion_angle_constraint.Auth_atom_name_1
_Torsion_angle_constraint.Auth_entity_assembly_ID_2
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_chain_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_alt_ID_2
_Torsion_angle_constraint.Auth_atom_name_2
_Torsion_angle_constraint.Auth_entity_assembly_ID_3
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_chain_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_alt_ID_3
_Torsion_angle_constraint.Auth_atom_name_3
_Torsion_angle_constraint.Auth_entity_assembly_ID_4
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_chain_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Auth_alt_ID_4
_Torsion_angle_constraint.Auth_atom_name_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . 1 1 1 1 TYR C C . . 1 1 2 2 ALA N N . . 1 1 2 2 ALA CA C . . 1 1 2 2 ALA C C . -170.0 -10.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 . C . . . . . 2 . N . . . . . 2 . CA . . . . . 2 . C . . rr_1bbl 1
2 . . 1 1 2 2 ALA C C . . 1 1 3 3 SER N N . . 1 1 3 3 SER CA C . . 1 1 3 3 SER C C . -170.0 -10.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2 . C . . . . . 3 . N . . . . . 3 . CA . . . . . 3 . C . . rr_1bbl 1
3 . . 1 1 3 3 SER C C . . 1 1 4 4 LEU N N . . 1 1 4 4 LEU CA C . . 1 1 4 4 LEU C C . -170.0 -10.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3 . C . . . . . 4 . N . . . . . 4 . CA . . . . . 4 . C . . rr_1bbl 1
4 . . 1 1 4 4 LEU C C . . 1 1 5 5 GLU N N . . 1 1 5 5 GLU CA C . . 1 1 5 5 GLU C C . -170.0 -10.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4 . C . . . . . 5 . N . . . . . 5 . CA . . . . . 5 . C . . rr_1bbl 1
5 . . 1 1 5 5 GLU C C . . 1 1 6 6 GLU N N . . 1 1 6 6 GLU CA C . . 1 1 6 6 GLU C C . -170.0 -10.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5 . C . . . . . 6 . N . . . . . 6 . CA . . . . . 6 . C . . rr_1bbl 1
6 . . 1 1 6 6 GLU C C . . 1 1 7 7 GLN N N . . 1 1 7 7 GLN CA C . . 1 1 7 7 GLN C C . -170.0 -10.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6 . C . . . . . 7 . N . . . . . 7 . CA . . . . . 7 . C . . rr_1bbl 1
7 . . 1 1 9 9 ASN C C . . 1 1 10 10 ASP N N . . 1 1 10 10 ASP CA C . . 1 1 10 10 ASP C C . -185.0 -45.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 9 . C . . . . . 10 . N . . . . . 10 . CA . . . . . 10 . C . . rr_1bbl 1
8 . . 1 1 10 10 ASP C C . . 1 1 11 11 ALA N N . . 1 1 11 11 ALA CA C . . 1 1 11 11 ALA C C . -185.0 -55.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10 . C . . . . . 11 . N . . . . . 11 . CA . . . . . 11 . C . . rr_1bbl 1
9 . . 1 1 11 11 ALA C C . . 1 1 12 12 LEU N N . . 1 1 12 12 LEU CA C . . 1 1 12 12 LEU C C . -140.0 -30.0 . . . . . . . . . . A . 12 LEU N . . A . 12 LEU CA . . A . 12 LEU C . . . 11 . C . . . . . 12 . N . . . . . 12 . CA . . . . . 12 . C . . rr_1bbl 1
10 . . 1 1 12 12 LEU C C . . 1 1 13 13 SER N N . . 1 1 13 13 SER CA C . . 1 1 13 13 SER C C . -155.0 -65.0 . . . A . 12 LEU C . . A . 13 SER N . . A . 13 SER CA . . A . 13 SER C . . . 12 . C . . . . . 13 . N . . . . . 13 . CA . . . . . 13 . C . . rr_1bbl 1
11 . . 1 1 13 13 SER C C . . 1 1 14 14 PRO N N . . 1 1 14 14 PRO CA C . . 1 1 14 14 PRO C C . -80.0 -40.0 . . . A . 13 SER C . . A . 14 PRO N . . A . 14 PRO CA . . A . 14 PRO C . . . 13 . C . . . . . 14 . N . . . . . 14 . CA . . . . . 14 . C . . rr_1bbl 1
12 . . 1 1 14 14 PRO C C . . 1 1 15 15 ALA N N . . 1 1 15 15 ALA CA C . . 1 1 15 15 ALA C C . -115.0 -45.0 . . . A . 14 PRO C . . A . 15 ALA N . . A . 15 ALA CA . . A . 15 ALA C . . . 14 . C . . . . . 15 . N . . . . . 15 . CA . . . . . 15 . C . . rr_1bbl 1
13 . . 1 1 15 15 ALA C C . . 1 1 16 16 ILE N N . . 1 1 16 16 ILE CA C . . 1 1 16 16 ILE C C . -95.0 -35.0 . . . A . 15 ALA C . . A . 16 ILE N . . A . 16 ILE CA . . A . 16 ILE C . . . 15 . C . . . . . 16 . N . . . . . 16 . CA . . . . . 16 . C . . rr_1bbl 1
14 . . 1 1 16 16 ILE C C . . 1 1 17 17 ARG N N . . 1 1 17 17 ARG CA C . . 1 1 17 17 ARG C C . -110.0 -50.0 . . . A . 16 ILE C . . A . 17 ARG N . . A . 17 ARG CA . . A . 17 ARG C . . . 16 . C . . . . . 17 . N . . . . . 17 . CA . . . . . 17 . C . . rr_1bbl 1
15 . . 1 1 17 17 ARG C C . . 1 1 18 18 ARG N N . . 1 1 18 18 ARG CA C . . 1 1 18 18 ARG C C . -110.0 -50.0 . . . A . 17 ARG C . . A . 18 ARG N . . A . 18 ARG CA . . A . 18 ARG C . . . 17 . C . . . . . 18 . N . . . . . 18 . CA . . . . . 18 . C . . rr_1bbl 1
16 . . 1 1 18 18 ARG C C . . 1 1 19 19 LEU N N . . 1 1 19 19 LEU CA C . . 1 1 19 19 LEU C C . -105.0 -45.0 . . . A . 18 ARG C . . A . 19 LEU N . . A . 19 LEU CA . . A . 19 LEU C . . . 18 . C . . . . . 19 . N . . . . . 19 . CA . . . . . 19 . C . . rr_1bbl 1
17 . . 1 1 19 19 LEU C C . . 1 1 20 20 LEU N N . . 1 1 20 20 LEU CA C . . 1 1 20 20 LEU C C . -95.0 -35.0 . . . A . 19 LEU C . . A . 20 LEU N . . A . 20 LEU CA . . A . 20 LEU C . . . 19 . C . . . . . 20 . N . . . . . 20 . CA . . . . . 20 . C . . rr_1bbl 1
18 . . 1 1 20 20 LEU C C . . 1 1 21 21 ALA N N . . 1 1 21 21 ALA CA C . . 1 1 21 21 ALA C C . -110.0 -50.0 . . . A . 20 LEU C . . A . 21 ALA N . . A . 21 ALA CA . . A . 21 ALA C . . . 20 . C . . . . . 21 . N . . . . . 21 . CA . . . . . 21 . C . . rr_1bbl 1
19 . . 1 1 21 21 ALA C C . . 1 1 22 22 GLU N N . . 1 1 22 22 GLU CA C . . 1 1 22 22 GLU C C . -105.0 -45.0 . . . A . 21 ALA C . . A . 22 GLU N . . A . 22 GLU CA . . A . 22 GLU C . . . 21 . C . . . . . 22 . N . . . . . 22 . CA . . . . . 22 . C . . rr_1bbl 1
20 . . 1 1 22 22 GLU C C . . 1 1 23 23 HIS N N . . 1 1 23 23 HIS CA C . . 1 1 23 23 HIS C C . -135.0 -75.0 . . . A . 22 GLU C . . A . 23 HIS N . . A . 23 HIS CA . . A . 23 HIS C . . . 22 . C . . . . . 23 . N . . . . . 23 . CA . . . . . 23 . C . . rr_1bbl 1
21 . . 1 1 23 23 HIS C C . . 1 1 24 24 ASN N N . . 1 1 24 24 ASN CA C . . 1 1 24 24 ASN C C . 25.0 85.0 . . . A . 23 HIS C . . A . 24 ASN N . . A . 24 ASN CA . . A . 24 ASN C . . . 23 . C . . . . . 24 . N . . . . . 24 . CA . . . . . 24 . C . . rr_1bbl 1
22 . . 1 1 24 24 ASN C C . . 1 1 25 25 LEU N N . . 1 1 25 25 LEU CA C . . 1 1 25 25 LEU C C . -150.0 -90.0 . . . A . 24 ASN C . . A . 25 LEU N . . A . 25 LEU CA . . A . 25 LEU C . . . 24 . C . . . . . 25 . N . . . . . 25 . CA . . . . . 25 . C . . rr_1bbl 1
23 . . 1 1 25 25 LEU C C . . 1 1 26 26 ASP N N . . 1 1 26 26 ASP CA C . . 1 1 26 26 ASP C C . -115.0 -55.0 . . . A . 25 LEU C . . A . 26 ASP N . . A . 26 ASP CA . . A . 26 ASP C . . . 25 . C . . . . . 26 . N . . . . . 26 . CA . . . . . 26 . C . . rr_1bbl 1
24 . . 1 1 26 26 ASP C C . . 1 1 27 27 ALA N N . . 1 1 27 27 ALA CA C . . 1 1 27 27 ALA C C . -95.0 -35.0 . . . A . 26 ASP C . . A . 27 ALA N . . A . 27 ALA CA . . A . 27 ALA C . . . 26 . C . . . . . 27 . N . . . . . 27 . CA . . . . . 27 . C . . rr_1bbl 1
25 . . 1 1 27 27 ALA C C . . 1 1 28 28 SER N N . . 1 1 28 28 SER CA C . . 1 1 28 28 SER C C . -85.0 -25.0 . . . A . 27 ALA C . . A . 28 SER N . . A . 28 SER CA . . A . 28 SER C . . . 27 . C . . . . . 28 . N . . . . . 28 . CA . . . . . 28 . C . . rr_1bbl 1
26 . . 1 1 28 28 SER C C . . 1 1 29 29 ALA N N . . 1 1 29 29 ALA CA C . . 1 1 29 29 ALA C C . -115.0 -55.0 . . . A . 28 SER C . . A . 29 ALA N . . A . 29 ALA CA . . A . 29 ALA C . . . 28 . C . . . . . 29 . N . . . . . 29 . CA . . . . . 29 . C . . rr_1bbl 1
27 . . 1 1 29 29 ALA C C . . 1 1 30 30 ILE N N . . 1 1 30 30 ILE CA C . . 1 1 30 30 ILE C C . -115.0 -55.0 . . . A . 29 ALA C . . A . 30 ILE N . . A . 30 ILE CA . . A . 30 ILE C . . . 29 . C . . . . . 30 . N . . . . . 30 . CA . . . . . 30 . C . . rr_1bbl 1
28 . . 1 1 30 30 ILE C C . . 1 1 31 31 LYS N N . . 1 1 31 31 LYS CA C . . 1 1 31 31 LYS C C . -145.0 -65.0 . . . A . 30 ILE C . . A . 31 LYS N . . A . 31 LYS CA . . A . 31 LYS C . . . 30 . C . . . . . 31 . N . . . . . 31 . CA . . . . . 31 . C . . rr_1bbl 1
29 . . 1 1 31 31 LYS C C . . 1 1 32 32 GLY N N . . 1 1 32 32 GLY CA C . . 1 1 32 32 GLY C C . -155.0 -15.0 . . . A . 31 LYS C . . A . 32 GLY N . . A . 32 GLY CA . . A . 32 GLY C . . . 31 . C . . . . . 32 . N . . . . . 32 . CA . . . . . 32 . C . . rr_1bbl 1
30 . . 1 1 32 32 GLY C C . . 1 1 33 33 THR N N . . 1 1 33 33 THR CA C . . 1 1 33 33 THR C C . -160.0 -50.0 . . . A . 32 GLY C . . A . 33 THR N . . A . 33 THR CA . . A . 33 THR C . . . 32 . C . . . . . 33 . N . . . . . 33 . CA . . . . . 33 . C . . rr_1bbl 1
31 . . 1 1 34 34 GLY C C . . 1 1 35 35 VAL N N . . 1 1 35 35 VAL CA C . . 1 1 35 35 VAL C C . -120.0 -30.0 . . . A . 34 GLY C . . A . 35 VAL N . . A . 35 VAL CA . . A . 35 VAL C . . . 34 . C . . . . . 35 . N . . . . . 35 . CA . . . . . 35 . C . . rr_1bbl 1
32 . . 1 1 36 36 GLY C C . . 1 1 37 37 GLY N N . . 1 1 37 37 GLY CA C . . 1 1 37 37 GLY C C . 5.0 175.0 . . . A . 36 GLY C . . A . 37 GLY N . . A . 37 GLY CA . . A . 37 GLY C . . . 36 . C . . . . . 37 . N . . . . . 37 . CA . . . . . 37 . C . . rr_1bbl 1
33 . . 1 1 37 37 GLY C C . . 1 1 38 38 ARG N N . . 1 1 38 38 ARG CA C . . 1 1 38 38 ARG C C . -145.0 -35.0 . . . A . 37 GLY C . . A . 38 ARG N . . A . 38 ARG CA . . A . 38 ARG C . . . 37 . C . . . . . 38 . N . . . . . 38 . CA . . . . . 38 . C . . rr_1bbl 1
34 . . 1 1 38 38 ARG C C . . 1 1 39 39 LEU N N . . 1 1 39 39 LEU CA C . . 1 1 39 39 LEU C C . -110.0 -50.0 . . . A . 38 ARG C . . A . 39 LEU N . . A . 39 LEU CA . . A . 39 LEU C . . . 38 . C . . . . . 39 . N . . . . . 39 . CA . . . . . 39 . C . . rr_1bbl 1
35 . . 1 1 39 39 LEU C C . . 1 1 40 40 THR N N . . 1 1 40 40 THR CA C . . 1 1 40 40 THR C C . -150.0 -70.0 . . . A . 39 LEU C . . A . 40 THR N . . A . 40 THR CA . . A . 40 THR C . . . 39 . C . . . . . 40 . N . . . . . 40 . CA . . . . . 40 . C . . rr_1bbl 1
36 . . 1 1 40 40 THR C C . . 1 1 41 41 ARG N N . . 1 1 41 41 ARG CA C . . 1 1 41 41 ARG C C . -125.0 -65.0 . . . A . 40 THR C . . A . 41 ARG N . . A . 41 ARG CA . . A . 41 ARG C . . . 40 . C . . . . . 41 . N . . . . . 41 . CA . . . . . 41 . C . . rr_1bbl 1
37 . . 1 1 41 41 ARG C C . . 1 1 42 42 GLU N N . . 1 1 42 42 GLU CA C . . 1 1 42 42 GLU C C . -110.0 -50.0 . . . A . 41 ARG C . . A . 42 GLU N . . A . 42 GLU CA . . A . 42 GLU C . . . 41 . C . . . . . 42 . N . . . . . 42 . CA . . . . . 42 . C . . rr_1bbl 1
38 . . 1 1 42 42 GLU C C . . 1 1 43 43 ASP N N . . 1 1 43 43 ASP CA C . . 1 1 43 43 ASP C C . -130.0 -70.0 . . . A . 42 GLU C . . A . 43 ASP N . . A . 43 ASP CA . . A . 43 ASP C . . . 42 . C . . . . . 43 . N . . . . . 43 . CA . . . . . 43 . C . . rr_1bbl 1
39 . . 1 1 43 43 ASP C C . . 1 1 44 44 VAL N N . . 1 1 44 44 VAL CA C . . 1 1 44 44 VAL C C . -105.0 -45.0 . . . A . 43 ASP C . . A . 44 VAL N . . A . 44 VAL CA . . A . 44 VAL C . . . 43 . C . . . . . 44 . N . . . . . 44 . CA . . . . . 44 . C . . rr_1bbl 1
40 . . 1 1 44 44 VAL C C . . 1 1 45 45 GLU N N . . 1 1 45 45 GLU CA C . . 1 1 45 45 GLU C C . -90.0 -30.0 . . . A . 44 VAL C . . A . 45 GLU N . . A . 45 GLU CA . . A . 45 GLU C . . . 44 . C . . . . . 45 . N . . . . . 45 . CA . . . . . 45 . C . . rr_1bbl 1
41 . . 1 1 45 45 GLU C C . . 1 1 46 46 LYS N N . . 1 1 46 46 LYS CA C . . 1 1 46 46 LYS C C . -95.0 -35.0 . . . A . 45 GLU C . . A . 46 LYS N . . A . 46 LYS CA . . A . 46 LYS C . . . 45 . C . . . . . 46 . N . . . . . 46 . CA . . . . . 46 . C . . rr_1bbl 1
42 . . 1 1 46 46 LYS C C . . 1 1 47 47 HIS N N . . 1 1 47 47 HIS CA C . . 1 1 47 47 HIS C C . -155.0 -65.0 . . . A . 46 LYS C . . A . 47 HIS N . . A . 47 HIS CA . . A . 47 HIS C . . . 46 . C . . . . . 47 . N . . . . . 47 . CA . . . . . 47 . C . . rr_1bbl 1
43 . . 1 1 47 47 HIS C C . . 1 1 48 48 LEU N N . . 1 1 48 48 LEU CA C . . 1 1 48 48 LEU C C . -100.0 -40.0 . . . A . 47 HIS C . . A . 48 LEU N . . A . 48 LEU CA . . A . 48 LEU C . . . 47 . C . . . . . 48 . N . . . . . 48 . CA . . . . . 48 . C . . rr_1bbl 1
44 . . 1 1 48 48 LEU C C . . 1 1 49 49 ALA N N . . 1 1 49 49 ALA CA C . . 1 1 49 49 ALA C C . -180.0 -40.0 . . . A . 48 LEU C . . . . . . . . . . . . . . . . . . . . . . . . 48 . C . . . . . 49 . N . . . . . 49 . CA . . . . . 49 . C . . rr_1bbl 1
45 . . 1 1 49 49 ALA C C . . 1 1 50 50 LYS N N . . 1 1 50 50 LYS CA C . . 1 1 50 50 LYS C C . -170.0 -10.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 49 . C . . . . . 50 . N . . . . . 50 . CA . . . . . 50 . C . . rr_1bbl 1
46 . . 1 1 50 50 LYS C C . . 1 1 51 51 ALA N N . . 1 1 51 51 ALA CA C . . 1 1 51 51 ALA C C . -170.0 -10.0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50 . C . . . . . 51 . N . . . . . 51 . CA . . . . . 51 . C . . rr_1bbl 1
47 . . 1 1 12 12 LEU N N . . 1 1 12 12 LEU CA C . . 1 1 12 12 LEU C C . . 1 1 13 13 SER N N . -220.0 -120.0 . . . A . 12 LEU N . . A . 12 LEU CA . . A . 12 LEU C . . A . 13 SER N . . . 12 . N . . . . . 12 . CA . . . . . 12 . C . . . . . 13 . N . . rr_1bbl 1
48 . . 1 1 13 13 SER N N . . 1 1 13 13 SER CA C . . 1 1 13 13 SER C C . . 1 1 14 14 PRO N N . 90.0 190.0 . . . A . 13 SER N . . A . 13 SER CA . . A . 13 SER C . . A . 14 PRO N . . . 13 . N . . . . . 13 . CA . . . . . 13 . C . . . . . 14 . N . . rr_1bbl 1
49 . . 1 1 14 14 PRO N N . . 1 1 14 14 PRO CA C . . 1 1 14 14 PRO C C . . 1 1 15 15 ALA N N . -55.0 45.0 . . . A . 14 PRO N . . A . 14 PRO CA . . A . 14 PRO C . . A . 15 ALA N . . . 14 . N . . . . . 14 . CA . . . . . 14 . C . . . . . 15 . N . . rr_1bbl 1
50 . . 1 1 15 15 ALA N N . . 1 1 15 15 ALA CA C . . 1 1 15 15 ALA C C . . 1 1 16 16 ILE N N . -65.0 35.0 . . . A . 15 ALA N . . A . 15 ALA CA . . A . 15 ALA C . . A . 16 ILE N . . . 15 . N . . . . . 15 . CA . . . . . 15 . C . . . . . 16 . N . . rr_1bbl 1
51 . . 1 1 16 16 ILE N N . . 1 1 16 16 ILE CA C . . 1 1 16 16 ILE C C . . 1 1 17 17 ARG N N . -70.0 30.0 . . . A . 16 ILE N . . A . 16 ILE CA . . A . 16 ILE C . . A . 17 ARG N . . . 16 . N . . . . . 16 . CA . . . . . 16 . C . . . . . 17 . N . . rr_1bbl 1
52 . . 1 1 17 17 ARG N N . . 1 1 17 17 ARG CA C . . 1 1 17 17 ARG C C . . 1 1 18 18 ARG N N . -90.0 10.0 . . . A . 17 ARG N . . A . 17 ARG CA . . A . 17 ARG C . . A . 18 ARG N . . . 17 . N . . . . . 17 . CA . . . . . 17 . C . . . . . 18 . N . . rr_1bbl 1
53 . . 1 1 18 18 ARG N N . . 1 1 18 18 ARG CA C . . 1 1 18 18 ARG C C . . 1 1 19 19 LEU N N . -55.0 45.0 . . . A . 18 ARG N . . A . 18 ARG CA . . A . 18 ARG C . . A . 19 LEU N . . . 18 . N . . . . . 18 . CA . . . . . 18 . C . . . . . 19 . N . . rr_1bbl 1
54 . . 1 1 19 19 LEU N N . . 1 1 19 19 LEU CA C . . 1 1 19 19 LEU C C . . 1 1 20 20 LEU N N . -85.0 15.0 . . . A . 19 LEU N . . A . 19 LEU CA . . A . 19 LEU C . . A . 20 LEU N . . . 19 . N . . . . . 19 . CA . . . . . 19 . C . . . . . 20 . N . . rr_1bbl 1
55 . . 1 1 20 20 LEU N N . . 1 1 20 20 LEU CA C . . 1 1 20 20 LEU C C . . 1 1 21 21 ALA N N . -80.0 20.0 . . . A . 20 LEU N . . A . 20 LEU CA . . A . 20 LEU C . . A . 21 ALA N . . . 20 . N . . . . . 20 . CA . . . . . 20 . C . . . . . 21 . N . . rr_1bbl 1
56 . . 1 1 21 21 ALA N N . . 1 1 21 21 ALA CA C . . 1 1 21 21 ALA C C . . 1 1 22 22 GLU N N . -80.0 20.0 . . . A . 21 ALA N . . A . 21 ALA CA . . A . 21 ALA C . . A . 22 GLU N . . . 21 . N . . . . . 21 . CA . . . . . 21 . C . . . . . 22 . N . . rr_1bbl 1
57 . . 1 1 22 22 GLU N N . . 1 1 22 22 GLU CA C . . 1 1 22 22 GLU C C . . 1 1 23 23 HIS N N . -80.0 20.0 . . . A . 22 GLU N . . A . 22 GLU CA . . A . 22 GLU C . . A . 23 HIS N . . . 22 . N . . . . . 22 . CA . . . . . 22 . C . . . . . 23 . N . . rr_1bbl 1
58 . . 1 1 23 23 HIS N N . . 1 1 23 23 HIS CA C . . 1 1 23 23 HIS C C . . 1 1 24 24 ASN N N . -60.0 40.0 . . . A . 23 HIS N . . A . 23 HIS CA . . A . 23 HIS C . . A . 24 ASN N . . . 23 . N . . . . . 23 . CA . . . . . 23 . C . . . . . 24 . N . . rr_1bbl 1
59 . . 1 1 24 24 ASN N N . . 1 1 24 24 ASN CA C . . 1 1 24 24 ASN C C . . 1 1 25 25 LEU N N . 20.0 120.0 . . . A . 24 ASN N . . A . 24 ASN CA . . A . 24 ASN C . . A . 25 LEU N . . . 24 . N . . . . . 24 . CA . . . . . 24 . C . . . . . 25 . N . . rr_1bbl 1
60 . . 1 1 25 25 LEU N N . . 1 1 25 25 LEU CA C . . 1 1 25 25 LEU C C . . 1 1 26 26 ASP N N . 80.0 180.0 . . . A . 25 LEU N . . A . 25 LEU CA . . A . 25 LEU C . . A . 26 ASP N . . . 25 . N . . . . . 25 . CA . . . . . 25 . C . . . . . 26 . N . . rr_1bbl 1
61 . . 1 1 26 26 ASP N N . . 1 1 26 26 ASP CA C . . 1 1 26 26 ASP C C . . 1 1 27 27 ALA N N . 70.0 170.0 . . . A . 26 ASP N . . A . 26 ASP CA . . A . 26 ASP C . . A . 27 ALA N . . . 26 . N . . . . . 26 . CA . . . . . 26 . C . . . . . 27 . N . . rr_1bbl 1
62 . . 1 1 27 27 ALA N N . . 1 1 27 27 ALA CA C . . 1 1 27 27 ALA C C . . 1 1 28 28 SER N N . -60.0 40.0 . . . A . 27 ALA N . . A . 27 ALA CA . . A . 27 ALA C . . A . 28 SER N . . . 27 . N . . . . . 27 . CA . . . . . 27 . C . . . . . 28 . N . . rr_1bbl 1
63 . . 1 1 28 28 SER N N . . 1 1 28 28 SER CA C . . 1 1 28 28 SER C C . . 1 1 29 29 ALA N N . -80.0 20.0 . . . A . 28 SER N . . A . 28 SER CA . . A . 28 SER C . . A . 29 ALA N . . . 28 . N . . . . . 28 . CA . . . . . 28 . C . . . . . 29 . N . . rr_1bbl 1
64 . . 1 1 29 29 ALA N N . . 1 1 29 29 ALA CA C . . 1 1 29 29 ALA C C . . 1 1 30 30 ILE N N . -75.0 25.0 . . . A . 29 ALA N . . A . 29 ALA CA . . A . 29 ALA C . . A . 30 ILE N . . . 29 . N . . . . . 29 . CA . . . . . 29 . C . . . . . 30 . N . . rr_1bbl 1
65 . . 1 1 30 30 ILE N N . . 1 1 30 30 ILE CA C . . 1 1 30 30 ILE C C . . 1 1 31 31 LYS N N . 85.0 185.0 . . . A . 30 ILE N . . A . 30 ILE CA . . A . 30 ILE C . . A . 31 LYS N . . . 30 . N . . . . . 30 . CA . . . . . 30 . C . . . . . 31 . N . . rr_1bbl 1
66 . . 1 1 31 31 LYS N N . . 1 1 31 31 LYS CA C . . 1 1 31 31 LYS C C . . 1 1 32 32 GLY N N . -35.0 255.0 . . . A . 31 LYS N . . A . 31 LYS CA . . A . 31 LYS C . . A . 32 GLY N . . . 31 . N . . . . . 31 . CA . . . . . 31 . C . . . . . 32 . N . . rr_1bbl 1
67 . . 1 1 32 32 GLY N N . . 1 1 32 32 GLY CA C . . 1 1 32 32 GLY C C . . 1 1 33 33 THR N N . 5.0 175.0 . . . A . 32 GLY N . . A . 32 GLY CA . . A . 32 GLY C . . A . 33 THR N . . . 32 . N . . . . . 32 . CA . . . . . 32 . C . . . . . 33 . N . . rr_1bbl 1
68 . . 1 1 33 33 THR N N . . 1 1 33 33 THR CA C . . 1 1 33 33 THR C C . . 1 1 34 34 GLY N N . -95.0 85.0 . . . A . 33 THR N . . A . 33 THR CA . . A . 33 THR C . . A . 34 GLY N . . . 33 . N . . . . . 33 . CA . . . . . 33 . C . . . . . 34 . N . . rr_1bbl 1
69 . . 1 1 34 34 GLY N N . . 1 1 34 34 GLY CA C . . 1 1 34 34 GLY C C . . 1 1 35 35 VAL N N . 130.0 230.0 . . . A . 34 GLY N . . A . 34 GLY CA . . A . 34 GLY C . . A . 35 VAL N . . . 34 . N . . . . . 34 . CA . . . . . 34 . C . . . . . 35 . N . . rr_1bbl 1
70 . . 1 1 35 35 VAL N N . . 1 1 35 35 VAL CA C . . 1 1 35 35 VAL C C . . 1 1 36 36 GLY N N . -35.0 155.0 . . . A . 35 VAL N . . A . 35 VAL CA . . A . 35 VAL C . . A . 36 GLY N . . . 35 . N . . . . . 35 . CA . . . . . 35 . C . . . . . 36 . N . . rr_1bbl 1
71 . . 1 1 37 37 GLY N N . . 1 1 37 37 GLY CA C . . 1 1 37 37 GLY C C . . 1 1 38 38 ARG N N . -65.0 65.0 . . . A . 37 GLY N . . A . 37 GLY CA . . A . 37 GLY C . . A . 38 ARG N . . . 37 . N . . . . . 37 . CA . . . . . 37 . C . . . . . 38 . N . . rr_1bbl 1
72 . . 1 1 38 38 ARG N N . . 1 1 38 38 ARG CA C . . 1 1 38 38 ARG C C . . 1 1 39 39 LEU N N . 85.0 195.0 . . . A . 38 ARG N . . A . 38 ARG CA . . A . 38 ARG C . . A . 39 LEU N . . . 38 . N . . . . . 38 . CA . . . . . 38 . C . . . . . 39 . N . . rr_1bbl 1
73 . . 1 1 39 39 LEU N N . . 1 1 39 39 LEU CA C . . 1 1 39 39 LEU C C . . 1 1 40 40 THR N N . 75.0 175.0 . . . A . 39 LEU N . . A . 39 LEU CA . . A . 39 LEU C . . A . 40 THR N . . . 39 . N . . . . . 39 . CA . . . . . 39 . C . . . . . 40 . N . . rr_1bbl 1
74 . . 1 1 40 40 THR N N . . 1 1 40 40 THR CA C . . 1 1 40 40 THR C C . . 1 1 41 41 ARG N N . -210.0 -110.0 . . . A . 40 THR N . . A . 40 THR CA . . A . 40 THR C . . A . 41 ARG N . . . 40 . N . . . . . 40 . CA . . . . . 40 . C . . . . . 41 . N . . rr_1bbl 1
75 . . 1 1 41 41 ARG N N . . 1 1 41 41 ARG CA C . . 1 1 41 41 ARG C C . . 1 1 42 42 GLU N N . -80.0 20.0 . . . A . 41 ARG N . . A . 41 ARG CA . . A . 41 ARG C . . A . 42 GLU N . . . 41 . N . . . . . 41 . CA . . . . . 41 . C . . . . . 42 . N . . rr_1bbl 1
76 . . 1 1 42 42 GLU N N . . 1 1 42 42 GLU CA C . . 1 1 42 42 GLU C C . . 1 1 43 43 ASP N N . -55.0 45.0 . . . A . 42 GLU N . . A . 42 GLU CA . . A . 42 GLU C . . A . 43 ASP N . . . 42 . N . . . . . 42 . CA . . . . . 42 . C . . . . . 43 . N . . rr_1bbl 1
77 . . 1 1 43 43 ASP N N . . 1 1 43 43 ASP CA C . . 1 1 43 43 ASP C C . . 1 1 44 44 VAL N N . -90.0 10.0 . . . A . 43 ASP N . . A . 43 ASP CA . . A . 43 ASP C . . A . 44 VAL N . . . 43 . N . . . . . 43 . CA . . . . . 43 . C . . . . . 44 . N . . rr_1bbl 1
78 . . 1 1 44 44 VAL N N . . 1 1 44 44 VAL CA C . . 1 1 44 44 VAL C C . . 1 1 45 45 GLU N N . -80.0 20.0 . . . A . 44 VAL N . . A . 44 VAL CA . . A . 44 VAL C . . A . 45 GLU N . . . 44 . N . . . . . 44 . CA . . . . . 44 . C . . . . . 45 . N . . rr_1bbl 1
79 . . 1 1 45 45 GLU N N . . 1 1 45 45 GLU CA C . . 1 1 45 45 GLU C C . . 1 1 46 46 LYS N N . -95.0 5.0 . . . A . 45 GLU N . . A . 45 GLU CA . . A . 45 GLU C . . A . 46 LYS N . . . 45 . N . . . . . 45 . CA . . . . . 45 . C . . . . . 46 . N . . rr_1bbl 1
80 . . 1 1 46 46 LYS N N . . 1 1 46 46 LYS CA C . . 1 1 46 46 LYS C C . . 1 1 47 47 HIS N N . -50.0 50.0 . . . A . 46 LYS N . . A . 46 LYS CA . . A . 46 LYS C . . A . 47 HIS N . . . 46 . N . . . . . 46 . CA . . . . . 46 . C . . . . . 47 . N . . rr_1bbl 1
81 . . 1 1 47 47 HIS N N . . 1 1 47 47 HIS CA C . . 1 1 47 47 HIS C C . . 1 1 48 48 LEU N N . -80.0 20.0 . . . A . 47 HIS N . . A . 47 HIS CA . . A . 47 HIS C . . A . 48 LEU N . . . 47 . N . . . . . 47 . CA . . . . . 47 . C . . . . . 48 . N . . rr_1bbl 1
82 . . 1 1 12 12 LEU N N . . 1 1 12 12 LEU CA C . . 1 1 12 12 LEU CB C . . 1 1 12 12 LEU CG C . -105.0 -15.0 . . . A . 12 LEU N . . A . 12 LEU CA . . A . 12 LEU CB . . A . 12 LEU CG . . . 12 . N . . . . . 12 . CA . . . . . 12 . CB . . . . . 12 . CG . . rr_1bbl 1
83 . . 1 1 14 14 PRO N N . . 1 1 14 14 PRO CA C . . 1 1 14 14 PRO CB C . . 1 1 14 14 PRO CG C . -25.0 25.0 . . . A . 14 PRO N . . A . 14 PRO CA . . A . 14 PRO CB . . A . 14 PRO CG . . . 14 . N . . . . . 14 . CA . . . . . 14 . CB . . . . . 14 . CG . . rr_1bbl 1
84 . . 1 1 16 16 ILE N N . . 1 1 16 16 ILE CA C . . 1 1 16 16 ILE CB C . . 1 1 16 16 ILE CG1 C . 150.0 210.0 . . . A . 16 ILE N . . A . 16 ILE CA . . A . 16 ILE CB . . A . 16 ILE CG1 . . . 16 . N . . . . . 16 . CA . . . . . 16 . CB . . . . . 16 . CG1 . . rr_1bbl 1
85 . . 1 1 17 17 ARG N N . . 1 1 17 17 ARG CA C . . 1 1 17 17 ARG CB C . . 1 1 17 17 ARG CG C . -90.0 -30.0 . . . A . 17 ARG N . . A . 17 ARG CA . . A . 17 ARG CB . . A . 17 ARG CG . . . 17 . N . . . . . 17 . CA . . . . . 17 . CB . . . . . 17 . CG . . rr_1bbl 1
86 . . 1 1 18 18 ARG N N . . 1 1 18 18 ARG CA C . . 1 1 18 18 ARG CB C . . 1 1 18 18 ARG CG C . -90.0 -30.0 . . . A . 18 ARG N . . A . 18 ARG CA . . A . 18 ARG CB . . A . 18 ARG CG . . . 18 . N . . . . . 18 . CA . . . . . 18 . CB . . . . . 18 . CG . . rr_1bbl 1
87 . . 1 1 19 19 LEU N N . . 1 1 19 19 LEU CA C . . 1 1 19 19 LEU CB C . . 1 1 19 19 LEU CG C . 150.0 210.0 . . . A . 19 LEU N . . A . 19 LEU CA . . A . 19 LEU CB . . A . 19 LEU CG . . . 19 . N . . . . . 19 . CA . . . . . 19 . CB . . . . . 19 . CG . . rr_1bbl 1
88 . . 1 1 20 20 LEU N N . . 1 1 20 20 LEU CA C . . 1 1 20 20 LEU CB C . . 1 1 20 20 LEU CG C . -90.0 -30.0 . . . A . 20 LEU N . . A . 20 LEU CA . . A . 20 LEU CB . . A . 20 LEU CG . . . 20 . N . . . . . 20 . CA . . . . . 20 . CB . . . . . 20 . CG . . rr_1bbl 1
89 . . 1 1 22 22 GLU N N . . 1 1 22 22 GLU CA C . . 1 1 22 22 GLU CB C . . 1 1 22 22 GLU CG C . 150.0 210.0 . . . A . 22 GLU N . . A . 22 GLU CA . . A . 22 GLU CB . . A . 22 GLU CG . . . 22 . N . . . . . 22 . CA . . . . . 22 . CB . . . . . 22 . CG . . rr_1bbl 1
90 . . 1 1 23 23 HIS N N . . 1 1 23 23 HIS CA C . . 1 1 23 23 HIS CB C . . 1 1 23 23 HIS CG C . -90.0 -30.0 . . . A . 23 HIS N . . A . 23 HIS CA . . A . 23 HIS CB . . A . 23 HIS CG . . . 23 . N . . . . . 23 . CA . . . . . 23 . CB . . . . . 23 . CG . . rr_1bbl 1
91 . . 1 1 25 25 LEU N N . . 1 1 25 25 LEU CA C . . 1 1 25 25 LEU CB C . . 1 1 25 25 LEU CG C . -90.0 -30.0 . . . A . 25 LEU N . . A . 25 LEU CA . . A . 25 LEU CB . . A . 25 LEU CG . . . 25 . N . . . . . 25 . CA . . . . . 25 . CB . . . . . 25 . CG . . rr_1bbl 1
92 . . 1 1 30 30 ILE N N . . 1 1 30 30 ILE CA C . . 1 1 30 30 ILE CB C . . 1 1 30 30 ILE CG1 C . -90.0 -30.0 . . . A . 30 ILE N . . A . 30 ILE CA . . A . 30 ILE CB . . A . 30 ILE CG1 . . . 30 . N . . . . . 30 . CA . . . . . 30 . CB . . . . . 30 . CG1 . . rr_1bbl 1
93 . . 1 1 33 33 THR N N . . 1 1 33 33 THR CA C . . 1 1 33 33 THR CB C . . 1 1 33 33 THR OG1 O . 30.0 90.0 . . . A . 33 THR N . . A . 33 THR CA . . A . 33 THR CB . . A . 33 THR OG1 . . . 33 . N . . . . . 33 . CA . . . . . 33 . CB . . . . . 33 . OG1 . . rr_1bbl 1
94 . . 1 1 35 35 VAL N N . . 1 1 35 35 VAL CA C . . 1 1 35 35 VAL CB C . . 1 1 35 35 VAL CG1 C . 150.0 210.0 . . . A . 35 VAL N . . A . 35 VAL CA . . A . 35 VAL CB . . A . 35 VAL CG1 . . . 35 . N . . . . . 35 . CA . . . . . 35 . CB . . . . . 35 . CG1 . . rr_1bbl 1
95 . . 1 1 39 39 LEU N N . . 1 1 39 39 LEU CA C . . 1 1 39 39 LEU CB C . . 1 1 39 39 LEU CG C . 150.0 210.0 . . . A . 39 LEU N . . A . 39 LEU CA . . A . 39 LEU CB . . A . 39 LEU CG . . . 39 . N . . . . . 39 . CA . . . . . 39 . CB . . . . . 39 . CG . . rr_1bbl 1
96 . . 1 1 40 40 THR N N . . 1 1 40 40 THR CA C . . 1 1 40 40 THR CB C . . 1 1 40 40 THR OG1 O . 30.0 90.0 . . . A . 40 THR N . . A . 40 THR CA . . A . 40 THR CB . . A . 40 THR OG1 . . . 40 . N . . . . . 40 . CA . . . . . 40 . CB . . . . . 40 . OG1 . . rr_1bbl 1
97 . . 1 1 41 41 ARG N N . . 1 1 41 41 ARG CA C . . 1 1 41 41 ARG CB C . . 1 1 41 41 ARG CG C . 150.0 210.0 . . . A . 41 ARG N . . A . 41 ARG CA . . A . 41 ARG CB . . A . 41 ARG CG . . . 41 . N . . . . . 41 . CA . . . . . 41 . CB . . . . . 41 . CG . . rr_1bbl 1
98 . . 1 1 43 43 ASP N N . . 1 1 43 43 ASP CA C . . 1 1 43 43 ASP CB C . . 1 1 43 43 ASP CG C . -90.0 -30.0 . . . A . 43 ASP N . . A . 43 ASP CA . . A . 43 ASP CB . . A . 43 ASP CG . . . 43 . N . . . . . 43 . CA . . . . . 43 . CB . . . . . 43 . CG . . rr_1bbl 1
99 . . 1 1 44 44 VAL N N . . 1 1 44 44 VAL CA C . . 1 1 44 44 VAL CB C . . 1 1 44 44 VAL CG1 C . 150.0 210.0 . . . A . 44 VAL N . . A . 44 VAL CA . . A . 44 VAL CB . . A . 44 VAL CG1 . . . 44 . N . . . . . 44 . CA . . . . . 44 . CB . . . . . 44 . CG1 . . rr_1bbl 1
100 . . 1 1 47 47 HIS N N . . 1 1 47 47 HIS CA C . . 1 1 47 47 HIS CB C . . 1 1 47 47 HIS CG C . 150.0 210.0 . . . A . 47 HIS N . . A . 47 HIS CA . . A . 47 HIS CB . . A . 47 HIS CG . . . 47 . N . . . . . 47 . CA . . . . . 47 . CB . . . . . 47 . CG . . rr_1bbl 1
101 . . 1 1 48 48 LEU N N . . 1 1 48 48 LEU CA C . . 1 1 48 48 LEU CB C . . 1 1 48 48 LEU CG C . -90.0 -30.0 . . . A . 48 LEU N . . A . 48 LEU CA . . A . 48 LEU CB . . A . 48 LEU CG . . . 48 . N . . . . . 48 . CA . . . . . 48 . CB . . . . . 48 . CG . . rr_1bbl 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1
;remark phi angle constraints
! a2
;
1 1 3 6 rr_1bbl 1
2 "! s3" 6 1 6 6 rr_1bbl 1
3 "! l4" 9 1 9 6 rr_1bbl 1
4 "! e5" 12 1 12 6 rr_1bbl 1
5 "! e6" 15 1 15 6 rr_1bbl 1
6 "! q7" 18 1 18 6 rr_1bbl 1
7 "! d10" 21 1 21 7 rr_1bbl 1
8 "! a11" 24 1 24 7 rr_1bbl 1
9 "! l12" 27 1 27 7 rr_1bbl 1
10 "! s13" 30 1 30 7 rr_1bbl 1
11 "! p14" 33 1 33 7 rr_1bbl 1
12 "! a15" 36 1 36 7 rr_1bbl 1
13 "! i16" 39 1 39 7 rr_1bbl 1
14 "! r17" 42 1 42 7 rr_1bbl 1
15 "! r18" 45 1 45 7 rr_1bbl 1
16 "! l19" 48 1 48 7 rr_1bbl 1
17 "! l20" 51 1 51 7 rr_1bbl 1
18 "! a21" 54 1 54 7 rr_1bbl 1
19 "! e22" 57 1 57 7 rr_1bbl 1
20 "! h23" 60 1 60 7 rr_1bbl 1
21 "! n24" 63 1 63 7 rr_1bbl 1
22 "! l25" 66 1 66 7 rr_1bbl 1
23 "! d26" 69 1 69 7 rr_1bbl 1
24 "! a27" 72 1 72 7 rr_1bbl 1
25 "! s28" 75 1 75 7 rr_1bbl 1
26 "! a29" 78 1 78 7 rr_1bbl 1
27 "! i30" 81 1 81 7 rr_1bbl 1
28 "! k31" 84 1 84 7 rr_1bbl 1
29 "! g32" 87 1 87 7 rr_1bbl 1
30 "! t33" 90 1 90 7 rr_1bbl 1
31 "! v35" 93 1 93 7 rr_1bbl 1
32 "! g37" 96 1 96 7 rr_1bbl 1
33 "! r38" 99 1 99 7 rr_1bbl 1
34 "! l39" 102 1 102 7 rr_1bbl 1
35 "! t40" 105 1 105 7 rr_1bbl 1
36 "! r41" 108 1 108 7 rr_1bbl 1
37 "! e42" 111 1 111 7 rr_1bbl 1
38 "! d43" 114 1 114 7 rr_1bbl 1
39 "! v44" 117 1 117 7 rr_1bbl 1
40 "! e45" 120 1 120 7 rr_1bbl 1
41 "! k46" 123 1 123 7 rr_1bbl 1
42 "! h47" 126 1 126 7 rr_1bbl 1
43 "! l48" 129 1 129 7 rr_1bbl 1
44 "! a49" 132 1 132 7 rr_1bbl 1
45 "! k50" 135 1 135 7 rr_1bbl 1
46 "! a51" 138 1 138 7 rr_1bbl 1
47
;Remark psi dihedral angle restraints
! l12
;
143 1 144 8 rr_1bbl 1
48 "! s13" 147 1 147 8 rr_1bbl 1
49 "! p14" 150 1 150 7 rr_1bbl 1
50 "! a15" 153 1 153 7 rr_1bbl 1
51 "! i16" 156 1 156 7 rr_1bbl 1
52 "! r17" 159 1 159 7 rr_1bbl 1
53 "! r18" 162 1 162 7 rr_1bbl 1
54 "! l19" 165 1 165 7 rr_1bbl 1
55 !l20 168 1 168 6 rr_1bbl 1
56 "! a21" 171 1 171 7 rr_1bbl 1
57 "! e22" 174 1 174 7 rr_1bbl 1
58 "! h23" 177 1 177 7 rr_1bbl 1
59 "! n24" 180 1 180 7 rr_1bbl 1
60 "! l25" 183 1 183 7 rr_1bbl 1
61 "! d26" 186 1 186 7 rr_1bbl 1
62 "! a27" 189 1 189 7 rr_1bbl 1
63 "! s28" 192 1 192 7 rr_1bbl 1
64 "! a29" 195 1 195 7 rr_1bbl 1
65 "! i30" 198 1 198 7 rr_1bbl 1
66 "! k31" 201 1 201 7 rr_1bbl 1
67 "! g32" 204 1 204 7 rr_1bbl 1
68 "! t33" 207 1 207 7 rr_1bbl 1
69 "! g34" 210 1 210 7 rr_1bbl 1
70 "! v35" 213 1 213 7 rr_1bbl 1
71 "! g37" 216 1 216 7 rr_1bbl 1
72 "! r38" 219 1 219 7 rr_1bbl 1
73 "! l39" 222 1 222 7 rr_1bbl 1
74 "! t40" 225 1 225 7 rr_1bbl 1
75 "! r41" 228 1 228 7 rr_1bbl 1
76 "! e42" 231 1 231 7 rr_1bbl 1
77 "! d43" 234 1 234 7 rr_1bbl 1
78 "! v44" 237 1 237 7 rr_1bbl 1
79 "! e45" 240 1 240 7 rr_1bbl 1
80 "! k46" 243 1 243 7 rr_1bbl 1
81 "! h47" 246 1 246 7 rr_1bbl 1
82
;Remark chi1 torsion angle restraints
! l12
;
251 1 252 7 rr_1bbl 1
83 "! p14" 255 1 255 7 rr_1bbl 1
84 "! i16" 258 1 258 7 rr_1bbl 1
85 "! r17" 261 1 261 7 rr_1bbl 1
86 "! r18" 264 1 264 7 rr_1bbl 1
87 "! l19" 267 1 267 7 rr_1bbl 1
88 "! l20" 270 1 270 7 rr_1bbl 1
89 "! e22" 273 1 273 7 rr_1bbl 1
90 "! h23" 276 1 276 7 rr_1bbl 1
91 "! l25" 279 1 279 7 rr_1bbl 1
92 "! i30" 282 1 282 7 rr_1bbl 1
93 "! t33" 285 1 285 7 rr_1bbl 1
94 "! v35" 288 1 288 7 rr_1bbl 1
95 "! l39" 291 1 291 7 rr_1bbl 1
96 "! t40" 294 1 294 7 rr_1bbl 1
97 "! r41" 297 1 297 7 rr_1bbl 1
98 "! d43" 300 1 300 7 rr_1bbl 1
99 "! v44" 303 1 303 7 rr_1bbl 1
100 "! h47" 306 1 306 7 rr_1bbl 1
101 "! l48" 309 1 309 7 rr_1bbl 1
stop_
save_
save_MR_file_comment_1
_Org_constr_file_comment.Sf_framecode MR_file_comment_1
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID rr_1bbl
_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 GLYCOLYSIS 20-FEB-92 1BBL *COMPND E3-BINDING DOMAIN OF THE DIHYDROLIPOAMIDE *COMPND 2 SUCCINYLTRANSFERASE (E.C.2.3.1.61) CORE FROM THE *COMPND 3 2-OXOGLUTARATE DEHYDROGENASE MULTIENZYME COMPLEX OF *COMPND 4 (ESCHERICHIA $COLI) (/NMR$, MINIMIZED AVERAGE STRUCTURE) *SOURCE SYNTHETIC PEPTIDE COMPRISING THE E3-BINDING DOMAIN OF THE *SOURCE 2 DIHYDROLIPOAMIDE SUCCINYLTRANSFERASE CORE FROM THE *SOURCE 3 2-OXOGLUTARATE DEHYDROGENASE MULTIENZYME COMPLEX OF *SOURCE 4 (ESCHERICHIA $COLI) *REVDAT 1 15-JUL-93 1BBL 0 REMARK Experimental restraints used in the 3D NMR solution structure REMARK determination of the E3-binding domain
REMARK of the dihydrolipoamide succinyltransferase core from the
REMARK 2-oxoglutarate dehydrogenase multienzyme complex of E. coli
REMARK
REMARK Authors: G.M. Clore, Mark A. Robien and A.M. Gronenborn
REMARK
REMARK References
REMARK
REMARK 1. Robien, M.A., Clore, G.M., Omichinski, J.G., Perham, R.N.
REMARK Appella, E., Sakaguchi, K. and Gronenborn, A.M. (1992)
REMARK Three-dimensional solution structure of the E3-binding domain
REMARK of the dihydrolipoamide succinyltransferase core from the
REMARK 2-oxoglutarate dehydrogenase multienzyme complex of E. coli
REMARK Biochemistry in press
REMARK
REMARK
REMARK Details of the structure determination and all structural
REMARK statistics are given in ref. 1 (i.e. agreement with experimental
REMARK restraints, deviations from ideality for bond lengths, angles,
REMARK planes and chirality, non-bonded contacts, atomic rms differences
REMARK between the calculated structures).
REMARK The structures are based on 630 interproton distance restraints
REMARK derived from NOE measurements; and 46 phi and 35 psi backbone REMARK torsion angle restraints and 20 chi1 side chain torsion angle REMARK restraints derived from coupling constants and NOE data. The REMARK latter are obtained using
REMARK the conformational grid search program STEREOSEARCH [Nilges, M.,
REMARK Clore, G.M. & Gronenborn, A.M. (1990) Biopolymers 29, 813-822
REMARK The method used to determine the structures
REMARK is the hybrid metric matrix distance geometry-dynamical simulated
REMARK annealing method [Nilges, M., Clore, G.M. & Gronenborn, A.M.
REMARK FEBS Lett. 229, 317-324 (1988)].
REMARK
REMARK
REMARK A total of 56 structures were calculated. The coordinates
REMARK are given in e2o_brookhaven.pdb
REMARK
REMARK
REMARK NOE approximate interproton distance restraints are listed in (A)
REMARK and torsion angle restraints in (B).
REMARK A. NOE interproton distance restraints The restraints are represented by square-well potentials with the upper (u)
and lower (l) limits given by u=i+k and l=i-j where the numbers are
entered in the order i,j,k. [Clore et al. (1986) EMBO J. 5, 2729-2735] The NOEs are classified into three distance ranges corresponding to
strong, medium and weak NOEs. These are 1.8-2.7 A, 1.8-3.3 A and 1.8-5.0 A,
respectively. Appropriate corrections to the upper limits for distances
involving methyl, methylene and Tyr and Phe aromatic ring protons, to account
for centre averaging, are carried out as described by Wuthrich et al. [J. Mol. Biol. 169, 949-961 (1983)]. In addition, an extra 0.5 A is added
to the upper limits of distances involving methyl protons [Clore et al.
(1983) Biochemistry 26, 8012-8023; Wagner et al. (1987) J. Mol. Biol. 196, 611-640]. The atom notation follows standard PDB format. The # indicates a single
wild card, and the * a full wild card. e.g. For Leu, HD* representes all the
methyl protons; for a normal methylene beta proton, HB# represents the two protons. In these cases, the distances are calculated as centre averages. Note that the hard sphere van der Waals repulsion term ensures that
the minimum lower limit for all distances is the sum of the relevant
hard sphere atom radii. (i) Intraresidue restraints
;
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save_MR_file_comment_5
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_Org_constr_file_comment.Entry_ID rr_1bbl
_Org_constr_file_comment.ID 3
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_Org_constr_file_comment.Block_ID 5
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment "(iii) Interresidue short range 1 < |i - j <=5"
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save_MR_file_comment_3
_Org_constr_file_comment.Sf_framecode MR_file_comment_3
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID rr_1bbl
_Org_constr_file_comment.ID 2
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 3
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment "(ii) Interresidue restraints long range |i-j| > 5"
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_Org_constr_file_comment.Sf_framecode MR_file_comment_9
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID rr_1bbl
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_Org_constr_file_comment.Block_ID 9
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;B. Torsion angle restraints The torsion angle restraints are derived from coupling constant and NOE data
using the conformational grid search program STEREOSEARCH [Nilges, M.,
Clore, G.M. & Gronenborn, A.M. (1990) Biopolymers 29, 813-822].
They are represented by a square well potential
[Clore et al. (1986) EMBO J. 5, 2729-2735]. The upper and lower limits are given by i+j and i-j respectively, where the numbers are entered in the order
x,i,j,m. x is the force constant and m the exponent used to compute the
torsion angle restraints target function.
;
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save_MR_file_comment_7
_Org_constr_file_comment.Sf_framecode MR_file_comment_7
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID rr_1bbl
_Org_constr_file_comment.ID 4
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 7
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment "(iv) Interresidue sequential |i-j| = 1"
save_
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