NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
374260 |
1edp   |
2262 | cing | 3-converted-DOCR | STAR | entry | full | 149 |
data_DOCR_restraints_with_modified_coordinates_PDB_code_1edp
# This DOCR archive file contains, for PDB entry <1edp>:
#
# - 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_1edp
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 1edp"
_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 1edp"
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_1edp
_Assembly.ID 1
_Assembly.Name 1edp
_Assembly.Number_of_components 1
_Assembly.Organic_ligands 0
_Assembly.Metal_ions 0
_Assembly.Non_standard_bonds no
_Assembly.Paramagnetic no
_Assembly.Thiol_state "all free"
_Assembly.Molecular_mass 1963.2763
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 "ENDOTHELIN 1 PRECURSOR" 1 $ENDOTHELIN_1_PRECURSOR A . no . . . . . . rr_1edp 1
stop_
save_
save_ENDOTHELIN_1_PRECURSOR
_Entity.Sf_category entity
_Entity.Sf_framecode ENDOTHELIN_1_PRECURSOR
_Entity.Entry_ID rr_1edp
_Entity.ID 1
_Entity.Name ENDOTHELIN_1_PRECURSOR
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code CSCSSLMDKECVYFCHL
_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 17
_Entity.Paramagnetic no
_Entity.Thiol_state "all free"
_Entity.Parent_entity_ID 1
_Entity.Formula_weight 1963.2763
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 . CYS . rr_1edp 1
2 . SER . rr_1edp 1
3 . CYS . rr_1edp 1
4 . SER . rr_1edp 1
5 . SER . rr_1edp 1
6 . LEU . rr_1edp 1
7 . MET . rr_1edp 1
8 . ASP . rr_1edp 1
9 . LYS . rr_1edp 1
10 . GLU . rr_1edp 1
11 . CYS . rr_1edp 1
12 . VAL . rr_1edp 1
13 . TYR . rr_1edp 1
14 . PHE . rr_1edp 1
15 . CYS . rr_1edp 1
16 . HIS . rr_1edp 1
17 . LEU . rr_1edp 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
. CYS 1 1 rr_1edp 1
. SER 2 2 rr_1edp 1
. CYS 3 3 rr_1edp 1
. SER 4 4 rr_1edp 1
. SER 5 5 rr_1edp 1
. LEU 6 6 rr_1edp 1
. MET 7 7 rr_1edp 1
. ASP 8 8 rr_1edp 1
. LYS 9 9 rr_1edp 1
. GLU 10 10 rr_1edp 1
. CYS 11 11 rr_1edp 1
. VAL 12 12 rr_1edp 1
. TYR 13 13 rr_1edp 1
. PHE 14 14 rr_1edp 1
. CYS 15 15 rr_1edp 1
. HIS 16 16 rr_1edp 1
. LEU 17 17 rr_1edp 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_1edp
_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_1edp
_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_1edp 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_1edp 1
stop_
loop_
_Atom_site.Assembly_ID
_Atom_site.Model_ID
_Atom_site.Model_site_ID
_Atom_site.ID
_Atom_site.Assembly_atom_ID
_Atom_site.Label_entity_assembly_ID
_Atom_site.Label_entity_ID
_Atom_site.Label_comp_index_ID
_Atom_site.Label_comp_ID
_Atom_site.Label_atom_ID
_Atom_site.Type_symbol
_Atom_site.Cartn_x
_Atom_site.Cartn_y
_Atom_site.Cartn_z
_Atom_site.Cartn_x_esd
_Atom_site.Cartn_y_esd
_Atom_site.Cartn_z_esd
_Atom_site.Occupancy
_Atom_site.Occupancy_esd
_Atom_site.Uncertainty
_Atom_site.Ordered_flag
_Atom_site.Footnote_ID
_Atom_site.PDBX_label_asym_ID
_Atom_site.PDBX_label_seq_ID
_Atom_site.PDBX_label_comp_ID
_Atom_site.PDBX_label_atom_ID
_Atom_site.PDBX_formal_charge
_Atom_site.PDBX_label_entity_ID
_Atom_site.PDB_record_ID
_Atom_site.PDB_model_num
_Atom_site.PDB_strand_ID
_Atom_site.PDB_ins_code
_Atom_site.PDB_residue_no
_Atom_site.PDB_residue_name
_Atom_site.PDB_atom_name
_Atom_site.Auth_entity_assembly_ID
_Atom_site.Auth_asym_ID
_Atom_site.Auth_chain_ID
_Atom_site.Auth_seq_ID
_Atom_site.Auth_comp_ID
_Atom_site.Auth_atom_ID
_Atom_site.Auth_alt_ID
_Atom_site.Auth_atom_name
_Atom_site.Details
_Atom_site.Entry_ID
_Atom_site.Conformer_family_coord_set_ID
. 1 . 1 . 1 1 1 CYS C C 32.629 21.798 -7.404 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . rr_1edp 1
. 1 . 2 . 1 1 1 CYS CA C 33.218 21.757 -8.816 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . rr_1edp 1
. 1 . 3 . 1 1 1 CYS CB C 34.634 21.190 -8.750 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . rr_1edp 1
. 1 . 4 . 1 1 1 CYS H1 H 32.715 23.712 -8.877 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H1 . . . . . . . . . rr_1edp 1
. 1 . 5 . 1 1 1 CYS H2 H 34.204 23.387 -9.481 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H2 . . . . . . . . . rr_1edp 1
. 1 . 6 . 1 1 1 CYS H3 H 32.869 23.028 -10.364 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H3 . . . . . . . . . rr_1edp 1
. 1 . 7 . 1 1 1 CYS HA H 32.613 21.111 -9.452 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . rr_1edp 1
. 1 . 8 . 1 1 1 CYS HB2 H 35.075 21.252 -9.745 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB2 . . . . . . . . . rr_1edp 1
. 1 . 9 . 1 1 1 CYS HB3 H 35.234 21.836 -8.106 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . rr_1edp 1
. 1 . 10 . 1 1 1 CYS N N 33.251 23.084 -9.443 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . rr_1edp 1
. 1 . 11 . 1 1 1 CYS O O 33.044 22.574 -6.550 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . rr_1edp 1
. 1 . 12 . 1 1 1 CYS SG S 34.782 19.463 -8.175 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . rr_1edp 1
. 1 . 13 . 1 1 2 SER C C 30.502 19.510 -5.535 . . . 1.0 . . . . . . . . . . . . A . 2 SER C . . . . . . . . . rr_1edp 1
. 1 . 14 . 1 1 2 SER CA C 31.036 20.904 -5.820 . . . 1.0 . . . . . . . . . . . . A . 2 SER CA . . . . . . . . . rr_1edp 1
. 1 . 15 . 1 1 2 SER CB C 29.886 21.930 -5.795 . . . 1.0 . . . . . . . . . . . . A . 2 SER CB . . . . . . . . . rr_1edp 1
. 1 . 16 . 1 1 2 SER H H 31.484 20.137 -7.759 . . . 1.0 . . . . . . . . . . . . A . 2 SER H . . . . . . . . . rr_1edp 1
. 1 . 17 . 1 1 2 SER HA H 31.777 21.128 -5.041 . . . 1.0 . . . . . . . . . . . . A . 2 SER HA . . . . . . . . . rr_1edp 1
. 1 . 18 . 1 1 2 SER HB2 H 28.897 21.470 -5.727 . . . 1.0 . . . . . . . . . . . . A . 2 SER HB2 . . . . . . . . . rr_1edp 1
. 1 . 19 . 1 1 2 SER HB3 H 30.014 22.615 -4.953 . . . 1.0 . . . . . . . . . . . . A . 2 SER HB3 . . . . . . . . . rr_1edp 1
. 1 . 20 . 1 1 2 SER HG H 29.711 22.200 -7.773 . . . 1.0 . . . . . . . . . . . . A . 2 SER HG . . . . . . . . . rr_1edp 1
. 1 . 21 . 1 1 2 SER N N 31.675 20.900 -7.141 . . . 1.0 . . . . . . . . . . . . A . 2 SER N . . . . . . . . . rr_1edp 1
. 1 . 22 . 1 1 2 SER O O 30.191 18.766 -6.461 . . . 1.0 . . . . . . . . . . . . A . 2 SER O . . . . . . . . . rr_1edp 1
. 1 . 23 . 1 1 2 SER OG O 29.832 22.745 -6.983 . . . 1.0 . . . . . . . . . . . . A . 2 SER OG . . . . . . . . . rr_1edp 1
. 1 . 24 . 1 1 3 CYS C C 28.499 18.054 -3.158 . . . 1.0 . . . . . . . . . . . . A . 3 CYS C . . . . . . . . . rr_1edp 1
. 1 . 25 . 1 1 3 CYS CA C 29.871 17.878 -3.799 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CA . . . . . . . . . rr_1edp 1
. 1 . 26 . 1 1 3 CYS CB C 30.860 17.293 -2.782 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CB . . . . . . . . . rr_1edp 1
. 1 . 27 . 1 1 3 CYS H H 30.519 19.893 -3.547 . . . 1.0 . . . . . . . . . . . . A . 3 CYS H . . . . . . . . . rr_1edp 1
. 1 . 28 . 1 1 3 CYS HA H 29.762 17.178 -4.634 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HA . . . . . . . . . rr_1edp 1
. 1 . 29 . 1 1 3 CYS HB2 H 31.779 17.880 -2.770 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB2 . . . . . . . . . rr_1edp 1
. 1 . 30 . 1 1 3 CYS HB3 H 30.469 17.330 -1.762 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB3 . . . . . . . . . rr_1edp 1
. 1 . 31 . 1 1 3 CYS N N 30.357 19.195 -4.246 . . . 1.0 . . . . . . . . . . . . A . 3 CYS N . . . . . . . . . rr_1edp 1
. 1 . 32 . 1 1 3 CYS O O 28.025 19.170 -2.996 . . . 1.0 . . . . . . . . . . . . A . 3 CYS O . . . . . . . . . rr_1edp 1
. 1 . 33 . 1 1 3 CYS SG S 31.330 15.586 -3.141 . . . 1.0 . . . . . . . . . . . . A . 3 CYS SG . . . . . . . . . rr_1edp 1
. 1 . 34 . 1 1 4 SER C C 26.668 17.675 -0.689 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . rr_1edp 1
. 1 . 35 . 1 1 4 SER CA C 26.598 16.994 -2.053 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . rr_1edp 1
. 1 . 36 . 1 1 4 SER CB C 26.035 15.582 -1.914 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . rr_1edp 1
. 1 . 37 . 1 1 4 SER H H 28.297 16.040 -2.950 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . rr_1edp 1
. 1 . 38 . 1 1 4 SER HA H 25.896 17.573 -2.660 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . rr_1edp 1
. 1 . 39 . 1 1 4 SER HB2 H 26.742 14.932 -1.390 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB2 . . . . . . . . . rr_1edp 1
. 1 . 40 . 1 1 4 SER HB3 H 25.080 15.577 -1.378 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . rr_1edp 1
. 1 . 41 . 1 1 4 SER HG H 25.314 14.213 -3.183 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . rr_1edp 1
. 1 . 42 . 1 1 4 SER N N 27.898 16.934 -2.741 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . rr_1edp 1
. 1 . 43 . 1 1 4 SER O O 25.952 18.614 -0.380 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . rr_1edp 1
. 1 . 44 . 1 1 4 SER OG O 25.863 15.011 -3.221 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . rr_1edp 1
. 1 . 45 . 1 1 5 SER C C 29.211 18.136 1.639 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_1edp 1
. 1 . 46 . 1 1 5 SER CA C 27.779 17.697 1.480 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_1edp 1
. 1 . 47 . 1 1 5 SER CB C 27.390 16.644 2.516 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_1edp 1
. 1 . 48 . 1 1 5 SER H H 28.172 16.410 -0.151 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_1edp 1
. 1 . 49 . 1 1 5 SER HA H 27.140 18.566 1.684 . . . 1.0 . . . . . . . . . . . . A . 5 SER HA . . . . . . . . . rr_1edp 1
. 1 . 50 . 1 1 5 SER HB2 H 27.789 15.663 2.235 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_1edp 1
. 1 . 51 . 1 1 5 SER HB3 H 27.754 16.868 3.522 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_1edp 1
. 1 . 52 . 1 1 5 SER HG H 25.633 16.490 3.441 . . . 1.0 . . . . . . . . . . . . A . 5 SER HG . . . . . . . . . rr_1edp 1
. 1 . 53 . 1 1 5 SER N N 27.588 17.170 0.130 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_1edp 1
. 1 . 54 . 1 1 5 SER O O 30.100 17.339 1.904 . . . 1.0 . . . . . . . . . . . . A . 5 SER O . . . . . . . . . rr_1edp 1
. 1 . 55 . 1 1 5 SER OG O 25.954 16.569 2.528 . . . 1.0 . . . . . . . . . . . . A . 5 SER OG . . . . . . . . . rr_1edp 1
. 1 . 56 . 1 1 6 LEU C C 31.309 19.611 3.147 . . . 1.0 . . . . . . . . . . . . A . 6 LEU C . . . . . . . . . rr_1edp 1
. 1 . 57 . 1 1 6 LEU CA C 30.763 20.016 1.767 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CA . . . . . . . . . rr_1edp 1
. 1 . 58 . 1 1 6 LEU CB C 30.722 21.559 1.646 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CB . . . . . . . . . rr_1edp 1
. 1 . 59 . 1 1 6 LEU CD1 C 30.804 21.756 -0.888 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD1 . . . . . . . . . rr_1edp 1
. 1 . 60 . 1 1 6 LEU CD2 C 31.662 23.625 0.574 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD2 . . . . . . . . . rr_1edp 1
. 1 . 61 . 1 1 6 LEU CG C 31.499 22.105 0.437 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CG . . . . . . . . . rr_1edp 1
. 1 . 62 . 1 1 6 LEU H H 28.738 20.036 1.064 . . . 1.0 . . . . . . . . . . . . A . 6 LEU H . . . . . . . . . rr_1edp 1
. 1 . 63 . 1 1 6 LEU HA H 31.466 19.602 1.039 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HA . . . . . . . . . rr_1edp 1
. 1 . 64 . 1 1 6 LEU HB2 H 29.690 21.905 1.559 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB2 . . . . . . . . . rr_1edp 1
. 1 . 65 . 1 1 6 LEU HB3 H 31.117 22.038 2.548 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB3 . . . . . . . . . rr_1edp 1
. 1 . 66 . 1 1 6 LEU HD11 H 30.658 20.680 -0.990 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD11 . . . . . . . . . rr_1edp 1
. 1 . 67 . 1 1 6 LEU HD12 H 29.829 22.243 -0.940 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD12 . . . . . . . . . rr_1edp 1
. 1 . 68 . 1 1 6 LEU HD13 H 31.414 22.097 -1.726 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD13 . . . . . . . . . rr_1edp 1
. 1 . 69 . 1 1 6 LEU HD21 H 30.690 24.116 0.630 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD21 . . . . . . . . . rr_1edp 1
. 1 . 70 . 1 1 6 LEU HD22 H 32.224 23.863 1.481 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD22 . . . . . . . . . rr_1edp 1
. 1 . 71 . 1 1 6 LEU HD23 H 32.220 24.026 -0.273 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD23 . . . . . . . . . rr_1edp 1
. 1 . 72 . 1 1 6 LEU HG H 32.505 21.671 0.443 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HG . . . . . . . . . rr_1edp 1
. 1 . 73 . 1 1 6 LEU N N 29.431 19.446 1.485 . . . 1.0 . . . . . . . . . . . . A . 6 LEU N . . . . . . . . . rr_1edp 1
. 1 . 74 . 1 1 6 LEU O O 32.484 19.593 3.449 . . . 1.0 . . . . . . . . . . . . A . 6 LEU O . . . . . . . . . rr_1edp 1
. 1 . 75 . 1 1 7 MET C C 31.751 17.675 5.408 . . . 1.0 . . . . . . . . . . . . A . 7 MET C . . . . . . . . . rr_1edp 1
. 1 . 76 . 1 1 7 MET CA C 30.818 18.892 5.377 . . . 1.0 . . . . . . . . . . . . A . 7 MET CA . . . . . . . . . rr_1edp 1
. 1 . 77 . 1 1 7 MET CB C 29.617 18.590 6.282 . . . 1.0 . . . . . . . . . . . . A . 7 MET CB . . . . . . . . . rr_1edp 1
. 1 . 78 . 1 1 7 MET CE C 27.584 17.638 8.768 . . . 1.0 . . . . . . . . . . . . A . 7 MET CE . . . . . . . . . rr_1edp 1
. 1 . 79 . 1 1 7 MET CG C 30.095 18.163 7.680 . . . 1.0 . . . . . . . . . . . . A . 7 MET CG . . . . . . . . . rr_1edp 1
. 1 . 80 . 1 1 7 MET H H 29.416 19.355 3.782 . . . 1.0 . . . . . . . . . . . . A . 7 MET H . . . . . . . . . rr_1edp 1
. 1 . 81 . 1 1 7 MET HA H 31.370 19.739 5.796 . . . 1.0 . . . . . . . . . . . . A . 7 MET HA . . . . . . . . . rr_1edp 1
. 1 . 82 . 1 1 7 MET HB2 H 28.971 19.465 6.356 . . . 1.0 . . . . . . . . . . . . A . 7 MET HB2 . . . . . . . . . rr_1edp 1
. 1 . 83 . 1 1 7 MET HB3 H 29.027 17.781 5.833 . . . 1.0 . . . . . . . . . . . . A . 7 MET HB3 . . . . . . . . . rr_1edp 1
. 1 . 84 . 1 1 7 MET HE1 H 27.800 16.831 8.066 . . . 1.0 . . . . . . . . . . . . A . 7 MET HE1 . . . . . . . . . rr_1edp 1
. 1 . 85 . 1 1 7 MET HE2 H 27.311 17.202 9.729 . . . 1.0 . . . . . . . . . . . . A . 7 MET HE2 . . . . . . . . . rr_1edp 1
. 1 . 86 . 1 1 7 MET HE3 H 26.755 18.234 8.386 . . . 1.0 . . . . . . . . . . . . A . 7 MET HE3 . . . . . . . . . rr_1edp 1
. 1 . 87 . 1 1 7 MET HG2 H 30.173 17.070 7.715 . . . 1.0 . . . . . . . . . . . . A . 7 MET HG2 . . . . . . . . . rr_1edp 1
. 1 . 88 . 1 1 7 MET HG3 H 31.080 18.570 7.900 . . . 1.0 . . . . . . . . . . . . A . 7 MET HG3 . . . . . . . . . rr_1edp 1
. 1 . 89 . 1 1 7 MET N N 30.371 19.296 4.042 . . . 1.0 . . . . . . . . . . . . A . 7 MET N . . . . . . . . . rr_1edp 1
. 1 . 90 . 1 1 7 MET O O 32.749 17.623 6.144 . . . 1.0 . . . . . . . . . . . . A . 7 MET O . . . . . . . . . rr_1edp 1
. 1 . 91 . 1 1 7 MET SD S 29.021 18.720 9.030 . . . 1.0 . . . . . . . . . . . . A . 7 MET SD . . . . . . . . . rr_1edp 1
. 1 . 92 . 1 1 8 ASP C C 33.342 15.744 3.831 . . . 1.0 . . . . . . . . . . . . A . 8 ASP C . . . . . . . . . rr_1edp 1
. 1 . 93 . 1 1 8 ASP CA C 32.054 15.412 4.550 . . . 1.0 . . . . . . . . . . . . A . 8 ASP CA . . . . . . . . . rr_1edp 1
. 1 . 94 . 1 1 8 ASP CB C 31.253 14.376 3.761 . . . 1.0 . . . . . . . . . . . . A . 8 ASP CB . . . . . . . . . rr_1edp 1
. 1 . 95 . 1 1 8 ASP CG C 30.010 14.034 4.542 . . . 1.0 . . . . . . . . . . . . A . 8 ASP CG . . . . . . . . . rr_1edp 1
. 1 . 96 . 1 1 8 ASP H H 30.355 16.608 4.342 . . . 1.0 . . . . . . . . . . . . A . 8 ASP H . . . . . . . . . rr_1edp 1
. 1 . 97 . 1 1 8 ASP HA H 32.259 14.993 5.543 . . . 1.0 . . . . . . . . . . . . A . 8 ASP HA . . . . . . . . . rr_1edp 1
. 1 . 98 . 1 1 8 ASP HB2 H 30.957 14.779 2.794 . . . 1.0 . . . . . . . . . . . . A . 8 ASP HB2 . . . . . . . . . rr_1edp 1
. 1 . 99 . 1 1 8 ASP HB3 H 31.828 13.460 3.602 . . . 1.0 . . . . . . . . . . . . A . 8 ASP HB3 . . . . . . . . . rr_1edp 1
. 1 . 100 . 1 1 8 ASP N N 31.288 16.642 4.702 . . . 1.0 . . . . . . . . . . . . A . 8 ASP N . . . . . . . . . rr_1edp 1
. 1 . 101 . 1 1 8 ASP O O 33.419 15.838 2.613 . . . 1.0 . . . . . . . . . . . . A . 8 ASP O . . . . . . . . . rr_1edp 1
. 1 . 102 . 1 1 8 ASP OD1 O 30.157 13.512 5.641 . . . 1.0 . . . . . . . . . . . . A . 8 ASP OD1 . . . . . . . . . rr_1edp 1
. 1 . 103 . 1 1 8 ASP OD2 O 28.918 14.349 4.076 . . . 1.0 . . . . . . . . . . . . A . 8 ASP OD2 . . . . . . . . . rr_1edp 1
. 1 . 104 . 1 1 9 LYS C C 36.183 15.474 2.931 . . . 1.0 . . . . . . . . . . . . A . 9 LYS C . . . . . . . . . rr_1edp 1
. 1 . 105 . 1 1 9 LYS CA C 35.705 16.316 4.108 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CA . . . . . . . . . rr_1edp 1
. 1 . 106 . 1 1 9 LYS CB C 36.778 16.273 5.216 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CB . . . . . . . . . rr_1edp 1
. 1 . 107 . 1 1 9 LYS CD C 35.766 16.974 7.497 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CD . . . . . . . . . rr_1edp 1
. 1 . 108 . 1 1 9 LYS CE C 35.243 18.195 8.269 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CE . . . . . . . . . rr_1edp 1
. 1 . 109 . 1 1 9 LYS CG C 36.624 17.371 6.285 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CG . . . . . . . . . rr_1edp 1
. 1 . 110 . 1 1 9 LYS H H 34.164 16.040 5.594 . . . 1.0 . . . . . . . . . . . . A . 9 LYS H . . . . . . . . . rr_1edp 1
. 1 . 111 . 1 1 9 LYS HA H 35.607 17.338 3.729 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HA . . . . . . . . . rr_1edp 1
. 1 . 112 . 1 1 9 LYS HB2 H 36.741 15.288 5.689 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB2 . . . . . . . . . rr_1edp 1
. 1 . 113 . 1 1 9 LYS HB3 H 37.774 16.357 4.764 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB3 . . . . . . . . . rr_1edp 1
. 1 . 114 . 1 1 9 LYS HD2 H 34.944 16.329 7.201 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD2 . . . . . . . . . rr_1edp 1
. 1 . 115 . 1 1 9 LYS HD3 H 36.404 16.371 8.155 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD3 . . . . . . . . . rr_1edp 1
. 1 . 116 . 1 1 9 LYS HE2 H 35.983 18.509 9.013 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE2 . . . . . . . . . rr_1edp 1
. 1 . 117 . 1 1 9 LYS HE3 H 35.054 19.044 7.606 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE3 . . . . . . . . . rr_1edp 1
. 1 . 118 . 1 1 9 LYS HG2 H 37.622 17.670 6.627 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG2 . . . . . . . . . rr_1edp 1
. 1 . 119 . 1 1 9 LYS HG3 H 36.215 18.259 5.791 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG3 . . . . . . . . . rr_1edp 1
. 1 . 120 . 1 1 9 LYS HZ1 H 33.363 17.404 8.235 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ1 . . . . . . . . . rr_1edp 1
. 1 . 121 . 1 1 9 LYS HZ2 H 34.173 17.212 9.734 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ2 . . . . . . . . . rr_1edp 1
. 1 . 122 . 1 1 9 LYS HZ3 H 33.552 18.717 9.291 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ3 . . . . . . . . . rr_1edp 1
. 1 . 123 . 1 1 9 LYS N N 34.386 15.934 4.633 . . . 1.0 . . . . . . . . . . . . A . 9 LYS N . . . . . . . . . rr_1edp 1
. 1 . 124 . 1 1 9 LYS NZ N 34.003 17.851 8.931 . . . 1.0 . . . . . . . . . . . . A . 9 LYS NZ . . . . . . . . . rr_1edp 1
. 1 . 125 . 1 1 9 LYS O O 36.911 15.912 2.051 . . . 1.0 . . . . . . . . . . . . A . 9 LYS O . . . . . . . . . rr_1edp 1
. 1 . 126 . 1 1 10 GLU C C 35.612 13.961 0.486 . . . 1.0 . . . . . . . . . . . . A . 10 GLU C . . . . . . . . . rr_1edp 1
. 1 . 127 . 1 1 10 GLU CA C 36.094 13.339 1.818 . . . 1.0 . . . . . . . . . . . . A . 10 GLU CA . . . . . . . . . rr_1edp 1
. 1 . 128 . 1 1 10 GLU CB C 35.469 11.968 2.059 . . . 1.0 . . . . . . . . . . . . A . 10 GLU CB . . . . . . . . . rr_1edp 1
. 1 . 129 . 1 1 10 GLU CD C 34.944 9.928 0.734 . . . 1.0 . . . . . . . . . . . . A . 10 GLU CD . . . . . . . . . rr_1edp 1
. 1 . 130 . 1 1 10 GLU CG C 36.024 10.920 1.081 . . . 1.0 . . . . . . . . . . . . A . 10 GLU CG . . . . . . . . . rr_1edp 1
. 1 . 131 . 1 1 10 GLU H H 35.184 13.877 3.691 . . . 1.0 . . . . . . . . . . . . A . 10 GLU H . . . . . . . . . rr_1edp 1
. 1 . 132 . 1 1 10 GLU HA H 37.180 13.229 1.771 . . . 1.0 . . . . . . . . . . . . A . 10 GLU HA . . . . . . . . . rr_1edp 1
. 1 . 133 . 1 1 10 GLU HB2 H 35.695 11.622 3.072 . . . 1.0 . . . . . . . . . . . . A . 10 GLU HB2 . . . . . . . . . rr_1edp 1
. 1 . 134 . 1 1 10 GLU HB3 H 34.376 12.033 2.000 . . . 1.0 . . . . . . . . . . . . A . 10 GLU HB3 . . . . . . . . . rr_1edp 1
. 1 . 135 . 1 1 10 GLU HG2 H 36.395 11.362 0.155 . . . 1.0 . . . . . . . . . . . . A . 10 GLU HG2 . . . . . . . . . rr_1edp 1
. 1 . 136 . 1 1 10 GLU HG3 H 36.851 10.366 1.531 . . . 1.0 . . . . . . . . . . . . A . 10 GLU HG3 . . . . . . . . . rr_1edp 1
. 1 . 137 . 1 1 10 GLU N N 35.759 14.211 2.947 . . . 1.0 . . . . . . . . . . . . A . 10 GLU N . . . . . . . . . rr_1edp 1
. 1 . 138 . 1 1 10 GLU O O 36.344 14.145 -0.483 . . . 1.0 . . . . . . . . . . . . A . 10 GLU O . . . . . . . . . rr_1edp 1
. 1 . 139 . 1 1 10 GLU OE1 O 34.566 9.161 1.610 . . . 1.0 . . . . . . . . . . . . A . 10 GLU OE1 . . . . . . . . . rr_1edp 1
. 1 . 140 . 1 1 10 GLU OE2 O 34.462 9.974 -0.391 . . . 1.0 . . . . . . . . . . . . A . 10 GLU OE2 . . . . . . . . . rr_1edp 1
. 1 . 141 . 1 1 11 CYS C C 34.404 16.394 -0.969 . . . 1.0 . . . . . . . . . . . . A . 11 CYS C . . . . . . . . . rr_1edp 1
. 1 . 142 . 1 1 11 CYS CA C 33.704 15.074 -0.600 . . . 1.0 . . . . . . . . . . . . A . 11 CYS CA . . . . . . . . . rr_1edp 1
. 1 . 143 . 1 1 11 CYS CB C 32.222 15.349 -0.254 . . . 1.0 . . . . . . . . . . . . A . 11 CYS CB . . . . . . . . . rr_1edp 1
. 1 . 144 . 1 1 11 CYS H H 33.861 14.372 1.401 . . . 1.0 . . . . . . . . . . . . A . 11 CYS H . . . . . . . . . rr_1edp 1
. 1 . 145 . 1 1 11 CYS HA H 33.747 14.405 -1.463 . . . 1.0 . . . . . . . . . . . . A . 11 CYS HA . . . . . . . . . rr_1edp 1
. 1 . 146 . 1 1 11 CYS HB2 H 31.997 14.933 0.723 . . . 1.0 . . . . . . . . . . . . A . 11 CYS HB2 . . . . . . . . . rr_1edp 1
. 1 . 147 . 1 1 11 CYS HB3 H 32.032 16.420 -0.153 . . . 1.0 . . . . . . . . . . . . A . 11 CYS HB3 . . . . . . . . . rr_1edp 1
. 1 . 148 . 1 1 11 CYS N N 34.361 14.411 0.537 . . . 1.0 . . . . . . . . . . . . A . 11 CYS N . . . . . . . . . rr_1edp 1
. 1 . 149 . 1 1 11 CYS O O 34.275 16.926 -2.069 . . . 1.0 . . . . . . . . . . . . A . 11 CYS O . . . . . . . . . rr_1edp 1
. 1 . 150 . 1 1 11 CYS SG S 30.959 14.667 -1.376 . . . 1.0 . . . . . . . . . . . . A . 11 CYS SG . . . . . . . . . rr_1edp 1
. 1 . 151 . 1 1 12 VAL C C 37.098 18.039 -1.004 . . . 1.0 . . . . . . . . . . . . A . 12 VAL C . . . . . . . . . rr_1edp 1
. 1 . 152 . 1 1 12 VAL CA C 35.826 18.229 -0.255 . . . 1.0 . . . . . . . . . . . . A . 12 VAL CA . . . . . . . . . rr_1edp 1
. 1 . 153 . 1 1 12 VAL CB C 36.105 19.008 1.029 . . . 1.0 . . . . . . . . . . . . A . 12 VAL CB . . . . . . . . . rr_1edp 1
. 1 . 154 . 1 1 12 VAL CG1 C 37.053 20.201 0.800 . . . 1.0 . . . . . . . . . . . . A . 12 VAL CG1 . . . . . . . . . rr_1edp 1
. 1 . 155 . 1 1 12 VAL CG2 C 34.761 19.504 1.552 . . . 1.0 . . . . . . . . . . . . A . 12 VAL CG2 . . . . . . . . . rr_1edp 1
. 1 . 156 . 1 1 12 VAL H H 35.213 16.541 0.896 . . . 1.0 . . . . . . . . . . . . A . 12 VAL H . . . . . . . . . rr_1edp 1
. 1 . 157 . 1 1 12 VAL HA H 35.199 18.869 -0.886 . . . 1.0 . . . . . . . . . . . . A . 12 VAL HA . . . . . . . . . rr_1edp 1
. 1 . 158 . 1 1 12 VAL HB H 36.565 18.357 1.772 . . . 1.0 . . . . . . . . . . . . A . 12 VAL HB . . . . . . . . . rr_1edp 1
. 1 . 159 . 1 1 12 VAL HG11 H 36.752 20.749 -0.093 . . . 1.0 . . . . . . . . . . . . A . 12 VAL HG11 . . . . . . . . . rr_1edp 1
. 1 . 160 . 1 1 12 VAL HG12 H 37.005 20.887 1.645 . . . 1.0 . . . . . . . . . . . . A . 12 VAL HG12 . . . . . . . . . rr_1edp 1
. 1 . 161 . 1 1 12 VAL HG13 H 38.091 19.874 0.702 . . . 1.0 . . . . . . . . . . . . A . 12 VAL HG13 . . . . . . . . . rr_1edp 1
. 1 . 162 . 1 1 12 VAL HG21 H 33.984 18.741 1.483 . . . 1.0 . . . . . . . . . . . . A . 12 VAL HG21 . . . . . . . . . rr_1edp 1
. 1 . 163 . 1 1 12 VAL HG22 H 34.872 19.758 2.605 . . . 1.0 . . . . . . . . . . . . A . 12 VAL HG22 . . . . . . . . . rr_1edp 1
. 1 . 164 . 1 1 12 VAL HG23 H 34.445 20.394 1.007 . . . 1.0 . . . . . . . . . . . . A . 12 VAL HG23 . . . . . . . . . rr_1edp 1
. 1 . 165 . 1 1 12 VAL N N 35.142 16.955 -0.008 . . . 1.0 . . . . . . . . . . . . A . 12 VAL N . . . . . . . . . rr_1edp 1
. 1 . 166 . 1 1 12 VAL O O 37.278 18.638 -2.054 . . . 1.0 . . . . . . . . . . . . A . 12 VAL O . . . . . . . . . rr_1edp 1
. 1 . 167 . 1 1 13 TYR C C 39.152 16.783 -2.617 . . . 1.0 . . . . . . . . . . . . A . 13 TYR C . . . . . . . . . rr_1edp 1
. 1 . 168 . 1 1 13 TYR CA C 39.294 16.937 -1.096 . . . 1.0 . . . . . . . . . . . . A . 13 TYR CA . . . . . . . . . rr_1edp 1
. 1 . 169 . 1 1 13 TYR CB C 39.996 15.715 -0.442 . . . 1.0 . . . . . . . . . . . . A . 13 TYR CB . . . . . . . . . rr_1edp 1
. 1 . 170 . 1 1 13 TYR CD1 C 41.654 14.884 -2.182 . . . 1.0 . . . . . . . . . . . . A . 13 TYR CD1 . . . . . . . . . rr_1edp 1
. 1 . 171 . 1 1 13 TYR CD2 C 39.631 13.593 -1.791 . . . 1.0 . . . . . . . . . . . . A . 13 TYR CD2 . . . . . . . . . rr_1edp 1
. 1 . 172 . 1 1 13 TYR CE1 C 41.989 14.033 -3.246 . . . 1.0 . . . . . . . . . . . . A . 13 TYR CE1 . . . . . . . . . rr_1edp 1
. 1 . 173 . 1 1 13 TYR CE2 C 39.969 12.744 -2.854 . . . 1.0 . . . . . . . . . . . . A . 13 TYR CE2 . . . . . . . . . rr_1edp 1
. 1 . 174 . 1 1 13 TYR CG C 40.461 14.680 -1.463 . . . 1.0 . . . . . . . . . . . . A . 13 TYR CG . . . . . . . . . rr_1edp 1
. 1 . 175 . 1 1 13 TYR CZ C 41.143 12.968 -3.583 . . . 1.0 . . . . . . . . . . . . A . 13 TYR CZ . . . . . . . . . rr_1edp 1
. 1 . 176 . 1 1 13 TYR H H 37.774 16.811 0.446 . . . 1.0 . . . . . . . . . . . . A . 13 TYR H . . . . . . . . . rr_1edp 1
. 1 . 177 . 1 1 13 TYR HA H 39.918 17.825 -0.943 . . . 1.0 . . . . . . . . . . . . A . 13 TYR HA . . . . . . . . . rr_1edp 1
. 1 . 178 . 1 1 13 TYR HB2 H 40.862 16.048 0.138 . . . 1.0 . . . . . . . . . . . . A . 13 TYR HB2 . . . . . . . . . rr_1edp 1
. 1 . 179 . 1 1 13 TYR HB3 H 39.320 15.243 0.274 . . . 1.0 . . . . . . . . . . . . A . 13 TYR HB3 . . . . . . . . . rr_1edp 1
. 1 . 180 . 1 1 13 TYR HD1 H 42.296 15.726 -1.958 . . . 1.0 . . . . . . . . . . . . A . 13 TYR HD1 . . . . . . . . . rr_1edp 1
. 1 . 181 . 1 1 13 TYR HD2 H 38.708 13.416 -1.256 . . . 1.0 . . . . . . . . . . . . A . 13 TYR HD2 . . . . . . . . . rr_1edp 1
. 1 . 182 . 1 1 13 TYR HE1 H 42.892 14.216 -3.811 . . . 1.0 . . . . . . . . . . . . A . 13 TYR HE1 . . . . . . . . . rr_1edp 1
. 1 . 183 . 1 1 13 TYR HE2 H 39.314 11.926 -3.118 . . . 1.0 . . . . . . . . . . . . A . 13 TYR HE2 . . . . . . . . . rr_1edp 1
. 1 . 184 . 1 1 13 TYR HH H 41.467 12.635 -5.450 . . . 1.0 . . . . . . . . . . . . A . 13 TYR HH . . . . . . . . . rr_1edp 1
. 1 . 185 . 1 1 13 TYR N N 37.987 17.195 -0.456 . . . 1.0 . . . . . . . . . . . . A . 13 TYR N . . . . . . . . . rr_1edp 1
. 1 . 186 . 1 1 13 TYR O O 39.980 17.190 -3.408 . . . 1.0 . . . . . . . . . . . . A . 13 TYR O . . . . . . . . . rr_1edp 1
. 1 . 187 . 1 1 13 TYR OH O 41.462 12.128 -4.628 . . . 1.0 . . . . . . . . . . . . A . 13 TYR OH . . . . . . . . . rr_1edp 1
. 1 . 188 . 1 1 14 PHE C C 37.812 17.272 -5.203 . . . 1.0 . . . . . . . . . . . . A . 14 PHE C . . . . . . . . . rr_1edp 1
. 1 . 189 . 1 1 14 PHE CA C 37.614 16.004 -4.364 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CA . . . . . . . . . rr_1edp 1
. 1 . 190 . 1 1 14 PHE CB C 36.137 15.544 -4.381 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CB . . . . . . . . . rr_1edp 1
. 1 . 191 . 1 1 14 PHE CD1 C 36.442 13.062 -4.023 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CD1 . . . . . . . . . rr_1edp 1
. 1 . 192 . 1 1 14 PHE CD2 C 35.364 13.829 -6.067 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CD2 . . . . . . . . . rr_1edp 1
. 1 . 193 . 1 1 14 PHE CE1 C 36.319 11.737 -4.456 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CE1 . . . . . . . . . rr_1edp 1
. 1 . 194 . 1 1 14 PHE CE2 C 35.234 12.504 -6.495 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CE2 . . . . . . . . . rr_1edp 1
. 1 . 195 . 1 1 14 PHE CG C 35.972 14.111 -4.832 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CG . . . . . . . . . rr_1edp 1
. 1 . 196 . 1 1 14 PHE CZ C 35.716 11.457 -5.692 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CZ . . . . . . . . . rr_1edp 1
. 1 . 197 . 1 1 14 PHE H H 37.414 15.849 -2.242 . . . 1.0 . . . . . . . . . . . . A . 14 PHE H . . . . . . . . . rr_1edp 1
. 1 . 198 . 1 1 14 PHE HA H 38.274 15.245 -4.794 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HA . . . . . . . . . rr_1edp 1
. 1 . 199 . 1 1 14 PHE HB2 H 35.724 15.586 -3.379 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HB2 . . . . . . . . . rr_1edp 1
. 1 . 200 . 1 1 14 PHE HB3 H 35.484 16.189 -4.977 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HB3 . . . . . . . . . rr_1edp 1
. 1 . 201 . 1 1 14 PHE HD1 H 36.884 13.266 -3.056 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HD1 . . . . . . . . . rr_1edp 1
. 1 . 202 . 1 1 14 PHE HD2 H 34.977 14.630 -6.685 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HD2 . . . . . . . . . rr_1edp 1
. 1 . 203 . 1 1 14 PHE HE1 H 36.677 10.933 -3.825 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HE1 . . . . . . . . . rr_1edp 1
. 1 . 204 . 1 1 14 PHE HE2 H 34.748 12.297 -7.438 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HE2 . . . . . . . . . rr_1edp 1
. 1 . 205 . 1 1 14 PHE HZ H 35.615 10.434 -6.022 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HZ . . . . . . . . . rr_1edp 1
. 1 . 206 . 1 1 14 PHE N N 38.021 16.166 -2.969 . . . 1.0 . . . . . . . . . . . . A . 14 PHE N . . . . . . . . . rr_1edp 1
. 1 . 207 . 1 1 14 PHE O O 38.683 17.378 -6.049 . . . 1.0 . . . . . . . . . . . . A . 14 PHE O . . . . . . . . . rr_1edp 1
. 1 . 208 . 1 1 15 CYS C C 38.186 20.405 -5.153 . . . 1.0 . . . . . . . . . . . . A . 15 CYS C . . . . . . . . . rr_1edp 1
. 1 . 209 . 1 1 15 CYS CA C 37.034 19.538 -5.627 . . . 1.0 . . . . . . . . . . . . A . 15 CYS CA . . . . . . . . . rr_1edp 1
. 1 . 210 . 1 1 15 CYS CB C 35.738 20.319 -5.436 . . . 1.0 . . . . . . . . . . . . A . 15 CYS CB . . . . . . . . . rr_1edp 1
. 1 . 211 . 1 1 15 CYS H H 36.269 18.103 -4.205 . . . 1.0 . . . . . . . . . . . . A . 15 CYS H . . . . . . . . . rr_1edp 1
. 1 . 212 . 1 1 15 CYS HA H 37.183 19.364 -6.696 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HA . . . . . . . . . rr_1edp 1
. 1 . 213 . 1 1 15 CYS HB2 H 35.545 20.444 -4.369 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HB2 . . . . . . . . . rr_1edp 1
. 1 . 214 . 1 1 15 CYS HB3 H 35.837 21.321 -5.862 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HB3 . . . . . . . . . rr_1edp 1
. 1 . 215 . 1 1 15 CYS N N 36.957 18.255 -4.912 . . . 1.0 . . . . . . . . . . . . A . 15 CYS N . . . . . . . . . rr_1edp 1
. 1 . 216 . 1 1 15 CYS O O 38.668 21.289 -5.840 . . . 1.0 . . . . . . . . . . . . A . 15 CYS O . . . . . . . . . rr_1edp 1
. 1 . 217 . 1 1 15 CYS SG S 34.297 19.510 -6.188 . . . 1.0 . . . . . . . . . . . . A . 15 CYS SG . . . . . . . . . rr_1edp 1
. 1 . 218 . 1 1 16 HIS C C 39.205 22.227 -2.834 . . . 1.0 . . . . . . . . . . . . A . 16 HIS C . . . . . . . . . rr_1edp 1
. 1 . 219 . 1 1 16 HIS CA C 39.652 20.831 -3.233 . . . 1.0 . . . . . . . . . . . . A . 16 HIS CA . . . . . . . . . rr_1edp 1
. 1 . 220 . 1 1 16 HIS CB C 40.967 20.828 -4.044 . . . 1.0 . . . . . . . . . . . . A . 16 HIS CB . . . . . . . . . rr_1edp 1
. 1 . 221 . 1 1 16 HIS CD2 C 42.521 19.198 -2.753 . . . 1.0 . . . . . . . . . . . . A . 16 HIS CD2 . . . . . . . . . rr_1edp 1
. 1 . 222 . 1 1 16 HIS CE1 C 43.629 20.692 -1.574 . . . 1.0 . . . . . . . . . . . . A . 16 HIS CE1 . . . . . . . . . rr_1edp 1
. 1 . 223 . 1 1 16 HIS CG C 42.095 20.482 -3.114 . . . 1.0 . . . . . . . . . . . . A . 16 HIS CG . . . . . . . . . rr_1edp 1
. 1 . 224 . 1 1 16 HIS H H 38.185 19.342 -3.455 . . . 1.0 . . . . . . . . . . . . A . 16 HIS H . . . . . . . . . rr_1edp 1
. 1 . 225 . 1 1 16 HIS HA H 39.797 20.303 -2.287 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HA . . . . . . . . . rr_1edp 1
. 1 . 226 . 1 1 16 HIS HB2 H 40.930 20.090 -4.844 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HB2 . . . . . . . . . rr_1edp 1
. 1 . 227 . 1 1 16 HIS HB3 H 41.175 21.788 -4.523 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HB3 . . . . . . . . . rr_1edp 1
. 1 . 228 . 1 1 16 HIS HD1 H 42.624 22.359 -2.396 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HD1 . . . . . . . . . rr_1edp 1
. 1 . 229 . 1 1 16 HIS HD2 H 42.182 18.255 -3.152 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HD2 . . . . . . . . . rr_1edp 1
. 1 . 230 . 1 1 16 HIS HE1 H 44.299 21.129 -0.849 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HE1 . . . . . . . . . rr_1edp 1
. 1 . 231 . 1 1 16 HIS N N 38.595 20.111 -3.926 . . . 1.0 . . . . . . . . . . . . A . 16 HIS N . . . . . . . . . rr_1edp 1
. 1 . 232 . 1 1 16 HIS ND1 N 42.800 21.388 -2.404 . . . 1.0 . . . . . . . . . . . . A . 16 HIS ND1 . . . . . . . . . rr_1edp 1
. 1 . 233 . 1 1 16 HIS NE2 N 43.460 19.349 -1.788 . . . 1.0 . . . . . . . . . . . . A . 16 HIS NE2 . . . . . . . . . rr_1edp 1
. 1 . 234 . 1 1 16 HIS O O 39.833 23.203 -3.204 . . . 1.0 . . . . . . . . . . . . A . 16 HIS O . . . . . . . . . rr_1edp 1
. 1 . 235 . 1 1 17 LEU C C 37.359 24.634 -2.469 . . . 1.0 . . . . . . . . . . . . A . 17 LEU C . . . . . . . . . rr_1edp 1
. 1 . 236 . 1 1 17 LEU CA C 37.476 23.463 -1.489 . . . 1.0 . . . . . . . . . . . . A . 17 LEU CA . . . . . . . . . rr_1edp 1
. 1 . 237 . 1 1 17 LEU CB C 38.045 23.798 -0.094 . . . 1.0 . . . . . . . . . . . . A . 17 LEU CB . . . . . . . . . rr_1edp 1
. 1 . 238 . 1 1 17 LEU CD1 C 40.505 22.967 -0.125 . . . 1.0 . . . . . . . . . . . . A . 17 LEU CD1 . . . . . . . . . rr_1edp 1
. 1 . 239 . 1 1 17 LEU CD2 C 39.908 25.387 -0.751 . . . 1.0 . . . . . . . . . . . . A . 17 LEU CD2 . . . . . . . . . rr_1edp 1
. 1 . 240 . 1 1 17 LEU CG C 39.536 24.154 0.088 . . . 1.0 . . . . . . . . . . . . A . 17 LEU CG . . . . . . . . . rr_1edp 1
. 1 . 241 . 1 1 17 LEU H H 37.734 21.376 -1.747 . . . 1.0 . . . . . . . . . . . . A . 17 LEU H . . . . . . . . . rr_1edp 1
. 1 . 242 . 1 1 17 LEU HA H 36.433 23.186 -1.323 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HA . . . . . . . . . rr_1edp 1
. 1 . 243 . 1 1 17 LEU HB2 H 37.451 24.598 0.358 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HB2 . . . . . . . . . rr_1edp 1
. 1 . 244 . 1 1 17 LEU HB3 H 37.858 22.933 0.547 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HB3 . . . . . . . . . rr_1edp 1
. 1 . 245 . 1 1 17 LEU HD11 H 39.992 22.005 -0.146 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HD11 . . . . . . . . . rr_1edp 1
. 1 . 246 . 1 1 17 LEU HD12 H 41.071 23.086 -1.047 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HD12 . . . . . . . . . rr_1edp 1
. 1 . 247 . 1 1 17 LEU HD13 H 41.260 22.932 0.660 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HD13 . . . . . . . . . rr_1edp 1
. 1 . 248 . 1 1 17 LEU HD21 H 39.135 26.149 -0.670 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HD21 . . . . . . . . . rr_1edp 1
. 1 . 249 . 1 1 17 LEU HD22 H 40.842 25.827 -0.404 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HD22 . . . . . . . . . rr_1edp 1
. 1 . 250 . 1 1 17 LEU HD23 H 40.004 25.161 -1.809 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HD23 . . . . . . . . . rr_1edp 1
. 1 . 251 . 1 1 17 LEU HG H 39.652 24.469 1.132 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HG . . . . . . . . . rr_1edp 1
. 1 . 252 . 1 1 17 LEU N N 38.100 22.248 -2.058 . . . 1.0 . . . . . . . . . . . . A . 17 LEU N . . . . . . . . . rr_1edp 1
. 1 . 253 . 1 1 17 LEU O O 37.649 24.483 -3.647 . . . 1.0 . . . . . . . . . . . . A . 17 LEU O . . . . . . . . . rr_1edp 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_1edp
_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 1edp.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_1edp 1
1 1edp.mr . . XPLOR/CNS 2 distance NOE simple 170 rr_1edp 1
1 1edp.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 rr_1edp 1
1 1edp.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1edp 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_1edp
_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: '1edp'" . . . . distance "general distance" . 149 rr_1edp 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 1edp.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_1edp 1
1 1edp.mr . . XPLOR/CNS 2 distance NOE simple 170 rr_1edp 1
1 1edp.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 rr_1edp 1
1 1edp.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1edp 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_1edp
_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_1edp 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 10 10 GLU H H . . . 1 1 11 11 CYS H H . . . . . 2.78 2.49 2.93 . . . . . A . 10 GLU H . . A . 11 CYS H . . . 10 . HN . . . . . 11 . HN . . rr_1edp 1
2 1 . . 1 1 11 11 CYS H H . . . 1 1 12 12 VAL H H . . . . . 2.83 2.68 3.03 . . . . . A . 11 CYS H . . A . 12 VAL H . . . 11 . HN . . . . . 12 . HN . . rr_1edp 1
3 1 . . 1 1 12 12 VAL H H . . . 1 1 13 13 TYR H H . . . . . 2.88 2.70 3.04 . . . . . A . 12 VAL H . . A . 13 TYR H . . . 12 . HN . . . . . 13 . HN . . rr_1edp 1
4 1 . . 1 1 13 13 TYR H H . . . 1 1 14 14 PHE H H . . . . . 2.95 2.75 3.19 . . . . . A . 13 TYR H . . A . 14 PHE H . . . 13 . HN . . . . . 14 . HN . . rr_1edp 1
5 1 . . 1 1 14 14 PHE H H . . . 1 1 15 15 CYS H H . . . . . 2.84 2.66 3.04 . . . . . A . 14 PHE H . . A . 15 CYS H . . . 14 . HN . . . . . 15 . HN . . rr_1edp 1
6 1 . . 1 1 12 12 VAL H H . . . 1 1 11 11 CYS HA H . . . . . 3.35 3.10 3.63 . . . . . A . 11 CYS HA . . A . 12 VAL H . . . 11 . HA . . . . . 12 . HN . . rr_1edp 1
7 1 . . 1 1 15 15 CYS H H . . . 1 1 12 12 VAL HA H . . . . . 3.50 3.25 3.80 . . . . . A . 12 VAL HA . . A . 15 CYS H . . . 12 . HA . . . . . 15 . HN . . rr_1edp 1
8 1 . . 1 1 9 9 LYS HA H . . . 1 1 12 12 VAL HB H . . . . . 2.50 2.38 2.75 . . . . . A . 9 LYS HA . . A . 12 VAL HB . . . 9 . HA . . . . . 12 . HB . . rr_1edp 1
9 1 . . 1 1 12 12 VAL H H . . . 1 1 9 9 LYS HA H . . . . . 3.25 2.85 3.70 . . . . . A . 9 LYS HA . . A . 12 VAL H . . . 9 . HA . . . . . 12 . HN . . rr_1edp 1
10 1 . . 1 1 6 6 LEU HA H . . . 1 1 9 9 LYS H H . . . . . 4.30 3.55 9.40 . . . . . A . 6 LEU HA . . A . 9 LYS H . . . 6 . HA . . . . . 9 . HN . . rr_1edp 1
11 1 . . 1 1 14 14 PHE H H . . . 1 1 12 12 VAL HA H . . . . . 4.10 3.50 4.90 . . . . . A . 14 PHE H . . A . 12 VAL HA . . . 14 . HN . . . . . 12 . HA . . rr_1edp 1
12 1 OR . 1 1 11 11 CYS H H . . . 1 1 8 8 ASP HB2 H . . . . . 4.20 3.00 7.30 . . . . . A . 11 CYS H . . A . 8 ASP HB2 . . . 11 . HN . . . . . 8 . HB* . . rr_1edp 1
12 2 OR . 1 1 11 11 CYS H H . . . 1 1 8 8 ASP HB3 H . . . . . 4.20 3.00 7.30 . . . . . A . 11 CYS H . . A . 8 ASP HB3 . . . 11 . HN . . . . . 8 . HB* . . rr_1edp 1
13 1 OR . 1 1 10 10 GLU HA H . . . 1 1 13 13 TYR HB2 H . . . . . 3.30 2.90 3.65 . . . . . A . 10 GLU HA . . A . 13 TYR HB2 . . . 10 . HA . . . . . 13 . HB* . . rr_1edp 1
13 2 OR . 1 1 10 10 GLU HA H . . . 1 1 13 13 TYR HB3 H . . . . . 3.30 2.90 3.65 . . . . . A . 10 GLU HA . . A . 13 TYR HB3 . . . 10 . HA . . . . . 13 . HB* . . rr_1edp 1
14 1 OR . 1 1 2 2 SER HA H . . . 1 1 5 5 SER HB2 H . . . . . 3.80 3.30 12.80 . . . . . A . 2 SER HA . . A . 5 SER HB2 . . . 2 . HA . . . . . 5 . HB* . . rr_1edp 1
14 2 OR . 1 1 2 2 SER HA H . . . 1 1 5 5 SER HB3 H . . . . . 3.80 3.30 12.80 . . . . . A . 2 SER HA . . A . 5 SER HB3 . . . 2 . HA . . . . . 5 . HB* . . rr_1edp 1
15 1 OR . 1 1 3 3 CYS HA H . . . 1 1 6 6 LEU HB2 H . . . . . 3.80 3.30 12.80 . . . . . A . 3 CYS HA . . A . 6 LEU HB2 . . . 3 . HA . . . . . 6 . HB* . . rr_1edp 1
15 2 OR . 1 1 3 3 CYS HA H . . . 1 1 6 6 LEU HB3 H . . . . . 3.80 3.30 12.80 . . . . . A . 3 CYS HA . . A . 6 LEU HB3 . . . 3 . HA . . . . . 6 . HB* . . rr_1edp 1
16 1 OR . 1 1 4 4 SER HA H . . . 1 1 7 7 MET HB2 H . . . . . 3.60 3.25 12.60 . . . . . A . 4 SER HA . . A . 7 MET HB2 . . . 4 . HA . . . . . 7 . HB* . . rr_1edp 1
16 2 OR . 1 1 4 4 SER HA H . . . 1 1 7 7 MET HB3 H . . . . . 3.60 3.25 12.60 . . . . . A . 4 SER HA . . A . 7 MET HB3 . . . 4 . HA . . . . . 7 . HB* . . rr_1edp 1
17 1 OR . 1 1 5 5 SER HA H . . . 1 1 8 8 ASP HB2 H . . . . . 3.60 3.25 12.60 . . . . . A . 5 SER HA . . A . 8 ASP HB2 . . . 5 . HA . . . . . 8 . HB* . . rr_1edp 1
17 2 OR . 1 1 8 8 ASP HB3 H . . . 1 1 5 5 SER HA H . . . . . 3.60 3.25 12.60 . . . . . A . 5 SER HA . . A . 8 ASP HB3 . . . 5 . HA . . . . . 8 . HB* . . rr_1edp 1
18 1 OR . 1 1 6 6 LEU HA H . . . 1 1 9 9 LYS HB2 H . . . . . 3.80 3.30 9.80 . . . . . A . 6 LEU HA . . A . 9 LYS HB2 . . . 6 . HA . . . . . 9 . HB* . . rr_1edp 1
18 2 OR . 1 1 6 6 LEU HA H . . . 1 1 9 9 LYS HB3 H . . . . . 3.80 3.30 9.80 . . . . . A . 6 LEU HA . . A . 9 LYS HB3 . . . 6 . HA . . . . . 9 . HB* . . rr_1edp 1
19 1 OR . 1 1 7 7 MET HA H . . . 1 1 10 10 GLU HB2 H . . . . . 4.05 3.60 13.05 . . . . . A . 7 MET HA . . A . 10 GLU HB2 . . . 7 . HA . . . . . 10 . HB* . . rr_1edp 1
19 2 OR . 1 1 7 7 MET HA H . . . 1 1 10 10 GLU HB3 H . . . . . 4.05 3.60 13.05 . . . . . A . 7 MET HA . . A . 10 GLU HB3 . . . 7 . HA . . . . . 10 . HB* . . rr_1edp 1
20 1 . . 1 1 1 1 CYS HA H . . . 1 1 2 2 SER H H . . . . . 2.20 2.00 2.56 . . . . . A . 1 CYS HA . . A . 2 SER H . . . 1 . HA . . . . . 2 . HN . . rr_1edp 1
21 1 . . 1 1 13 13 TYR H H . . . 1 1 10 10 GLU HA H . . . . . 3.50 3.28 3.75 . . . . . A . 10 GLU HA . . A . 13 TYR H . . . 10 . HA . . . . . 13 . HN . . rr_1edp 1
22 1 . . 1 1 12 12 VAL HA H . . . 1 1 12 12 VAL HB H . . . . . 3.02 2.80 3.10 . . . . . A . 12 VAL HA . . A . 12 VAL HB . . . 12 . HA . . . . . 12 . HB . . rr_1edp 1
23 1 . . 1 1 14 14 PHE H H . . . 1 1 13 13 TYR QD H . . . . . 2.95 2.70 3.60 . . . . . A . 13 TYR QD . . A . 14 PHE H . . . 13 . HD* . . . . . 14 . HN . . rr_1edp 1
24 1 . . 1 1 12 12 VAL HA H . . . 1 1 17 17 LEU H H . . . . . 3.52 3.23 3.82 . . . . . A . 12 VAL HA . . A . 17 LEU H . . . 12 . HA . . . . . 17 . HN . . rr_1edp 1
25 1 . . 1 1 12 12 VAL HA H . . . 1 1 16 16 HIS H H . . . . . 4.00 3.62 7.10 . . . . . A . 12 VAL HA . . A . 16 HIS H . . . 12 . HA . . . . . 16 . HN . . rr_1edp 1
26 1 OR . 1 1 9 9 LYS H H . . . 1 1 8 8 ASP HB2 H . . . . . 3.60 3.30 6.70 . . . . . A . 8 ASP HB2 . . A . 9 LYS H . . . 8 . HB* . . . . . 9 . HN . . rr_1edp 1
26 2 OR . 1 1 9 9 LYS H H . . . 1 1 8 8 ASP HB3 H . . . . . 3.60 3.30 6.70 . . . . . A . 8 ASP HB3 . . A . 9 LYS H . . . 8 . HB* . . . . . 9 . HN . . rr_1edp 1
27 1 OR . 1 1 8 8 ASP H H . . . 1 1 7 7 MET HB2 H . . . . . 2.60 2.15 3.00 . . . . . A . 7 MET HB2 . . A . 8 ASP H . . . 7 . HB* . . . . . 8 . HN . . rr_1edp 1
27 2 OR . 1 1 7 7 MET HB3 H . . . 1 1 8 8 ASP H H . . . . . 2.60 2.15 3.00 . . . . . A . 7 MET HB3 . . A . 8 ASP H . . . 7 . HB* . . . . . 8 . HN . . rr_1edp 1
28 1 . . 1 1 8 8 ASP H H . . . 1 1 7 7 MET H H . . . . . 2.82 2.59 3.16 . . . . . A . 7 MET H . . A . 8 ASP H . . . 7 . HN . . . . . 8 . HN . . rr_1edp 1
29 1 . . 1 1 9 9 LYS H H . . . 1 1 8 8 ASP H H . . . . . 3.45 3.35 4.40 . . . . . A . 8 ASP H . . A . 9 LYS H . . . 8 . HN . . . . . 9 . HN . . rr_1edp 1
30 1 OR . 1 1 7 7 MET H H . . . 1 1 5 5 SER HB2 H . . . . . 3.35 3.05 4.20 . . . . . A . 5 SER HB2 . . A . 7 MET H . . . 5 . HB* . . . . . 7 . HN . . rr_1edp 1
30 2 OR . 1 1 5 5 SER HB3 H . . . 1 1 7 7 MET H H . . . . . 3.35 3.05 4.20 . . . . . A . 5 SER HB3 . . A . 7 MET H . . . 5 . HB* . . . . . 7 . HN . . rr_1edp 1
31 1 . . 1 1 7 7 MET H H . . . 1 1 6 6 LEU H H . . . . . 3.15 3.00 3.80 . . . . . A . 6 LEU H . . A . 7 MET H . . . 6 . HN . . . . . 7 . HN . . rr_1edp 1
32 1 . . 1 1 16 16 HIS H H . . . 1 1 15 15 CYS HA H . . . . . 3.45 3.30 3.80 . . . . . A . 15 CYS HA . . A . 16 HIS H . . . 15 . HA . . . . . 16 . HN . . rr_1edp 1
33 1 . . 1 1 3 3 CYS HA H . . . 1 1 4 4 SER H H . . . . . 2.75 2.45 3.00 . . . . . A . 3 CYS HA . . A . 4 SER H . . . 3 . HA . . . . . 4 . HN . . rr_1edp 1
34 1 . . 1 1 13 13 TYR H H . . . 1 1 12 12 VAL HA H . . . . . 3.55 3.40 3.75 . . . . . A . 12 VAL HA . . A . 13 TYR H . . . 12 . HA . . . . . 13 . HN . . rr_1edp 1
35 1 . . 1 1 5 5 SER HA H . . . 1 1 6 6 LEU H H . . . . . 2.60 2.31 2.90 . . . . . A . 5 SER HA . . A . 6 LEU H . . . 5 . HA . . . . . 6 . HN . . rr_1edp 1
36 1 . . 1 1 13 13 TYR H H . . . 1 1 12 12 VAL HB H . . . . . 2.85 2.55 3.05 . . . . . A . 12 VAL HB . . A . 13 TYR H . . . 12 . HB . . . . . 13 . HN . . rr_1edp 1
37 1 . . 1 1 10 10 GLU H H . . . 1 1 9 9 LYS HA H . . . . . 3.40 3.20 3.70 . . . . . A . 9 LYS HA . . A . 10 GLU H . . . 9 . HA . . . . . 10 . HN . . rr_1edp 1
38 1 . . 1 1 12 12 VAL H H . . . 1 1 9 9 LYS HA H . . . . . 3.50 3.25 3.75 . . . . . A . 9 LYS HA . . A . 12 VAL H . . . 9 . HA . . . . . 12 . HN . . rr_1edp 1
39 1 . . 1 1 15 15 CYS H H . . . 1 1 16 16 HIS H H . . . . . 2.80 2.50 3.05 . . . . . A . 15 CYS H . . A . 16 HIS H . . . 15 . HN . . . . . 16 . HN . . rr_1edp 1
40 1 OR . 1 1 12 12 VAL HA H . . . 1 1 15 15 CYS HB2 H . . . . . 3.80 3.40 6.35 . . . . . A . 12 VAL HA . . A . 15 CYS HB2 . . . 12 . HA . . . . . 15 . HB* . . rr_1edp 1
40 2 OR . 1 1 12 12 VAL HA H . . . 1 1 15 15 CYS HB3 H . . . . . 3.80 3.40 6.35 . . . . . A . 12 VAL HA . . A . 15 CYS HB3 . . . 12 . HA . . . . . 15 . HB* . . rr_1edp 1
41 1 OR . 1 1 7 7 MET H H . . . 1 1 6 6 LEU HB2 H . . . . . 3.35 3.07 6.55 . . . . . A . 7 MET H . . A . 6 LEU HB2 . . . 7 . HN . . . . . 6 . HB* . . rr_1edp 1
41 2 OR . 1 1 6 6 LEU HB3 H . . . 1 1 7 7 MET H H . . . . . 3.35 3.07 6.55 . . . . . A . 7 MET H . . A . 6 LEU HB3 . . . 7 . HN . . . . . 6 . HB* . . rr_1edp 1
42 1 . . 1 1 6 6 LEU H H . . . 1 1 5 5 SER H H . . . . . 3.60 3.40 4.35 . . . . . A . 5 SER H . . A . 6 LEU H . . . 5 . HN . . . . . 6 . HN . . rr_1edp 1
43 1 . . 1 1 10 10 GLU H H . . . 1 1 9 9 LYS H H . . . . . 2.95 2.67 3.40 . . . . . A . 9 LYS H . . A . 10 GLU H . . . 9 . HN . . . . . 10 . HN . . rr_1edp 1
44 1 . . 1 1 14 14 PHE H H . . . 1 1 13 13 TYR HA H . . . . . 3.35 3.00 3.60 . . . . . A . 13 TYR HA . . A . 14 PHE H . . . 13 . HA . . . . . 14 . HN . . rr_1edp 1
45 1 . . 1 1 13 13 TYR H H . . . 1 1 9 9 LYS HA H . . . . . 4.20 3.65 5.50 . . . . . A . 9 LYS HA . . A . 13 TYR H . . . 9 . HA . . . . . 13 . HN . . rr_1edp 1
46 1 . . 1 1 14 14 PHE H H . . . 1 1 10 10 GLU HA H . . . . . 3.90 3.55 5.10 . . . . . A . 14 PHE H . . A . 10 GLU HA . . . 14 . HN . . . . . 10 . HA . . rr_1edp 1
47 1 OR . 1 1 15 15 CYS H H . . . 1 1 15 15 CYS HB2 H . . . . . 2.68 2.40 3.06 . . . . . A . 15 CYS H . . A . 15 CYS HB2 . . . 15 . HN . . . . . 15 . HB* . . rr_1edp 1
47 2 OR . 1 1 15 15 CYS H H . . . 1 1 15 15 CYS HB3 H . . . . . 2.68 2.40 3.06 . . . . . A . 15 CYS H . . A . 15 CYS HB3 . . . 15 . HN . . . . . 15 . HB* . . rr_1edp 1
48 1 OR . 1 1 11 11 CYS H H . . . 1 1 10 10 GLU HB2 H . . . . . 3.00 2.40 3.50 . . . . . A . 11 CYS H . . A . 10 GLU HB2 . . . 11 . HN . . . . . 10 . HB* . . rr_1edp 1
48 2 OR . 1 1 11 11 CYS H H . . . 1 1 10 10 GLU HB3 H . . . . . 3.00 2.40 3.50 . . . . . A . 11 CYS H . . A . 10 GLU HB3 . . . 11 . HN . . . . . 10 . HB* . . rr_1edp 1
49 1 . . 1 1 10 10 GLU HA H . . . 1 1 13 13 TYR QD H . . . . . 3.25 2.90 3.75 . . . . . A . 10 GLU HA . . A . 13 TYR QD . . . 10 . HA . . . . . 13 . HD* . . rr_1edp 1
50 1 . . 1 1 12 12 VAL HB H . . . 1 1 17 17 LEU H H . . . . . 4.05 3.40 5.30 . . . . . A . 17 LEU H . . A . 12 VAL HB . . . 17 . HN . . . . . 12 . HB . . rr_1edp 1
51 1 . . 1 1 14 14 PHE H H . . . 1 1 11 11 CYS HA H . . . . . 3.40 3.15 4.80 . . . . . A . 11 CYS HA . . A . 14 PHE H . . . 11 . HA . . . . . 14 . HN . . rr_1edp 1
52 1 OR . 1 1 11 11 CYS HA H . . . 1 1 13 13 TYR HB2 H . . . . . 3.80 3.40 8.80 . . . . . A . 11 CYS HA . . A . 13 TYR HB2 . . . 11 . HA . . . . . 13 . HB* . . rr_1edp 1
52 2 OR . 1 1 11 11 CYS HA H . . . 1 1 13 13 TYR HB3 H . . . . . 3.80 3.40 8.80 . . . . . A . 11 CYS HA . . A . 13 TYR HB3 . . . 11 . HA . . . . . 13 . HB* . . rr_1edp 1
53 1 . . 1 1 10 10 GLU H H . . . 1 1 7 7 MET HA H . . . . . 4.00 3.40 7.10 . . . . . A . 7 MET HA . . A . 10 GLU H . . . 7 . HA . . . . . 10 . HN . . rr_1edp 1
54 1 . . 1 1 11 11 CYS H H . . . 1 1 9 9 LYS HA H . . . . . 4.00 3.55 8.10 . . . . . A . 9 LYS HA . . A . 11 CYS H . . . 9 . HA . . . . . 11 . HN . . rr_1edp 1
55 1 . . 1 1 16 16 HIS H H . . . 1 1 14 14 PHE HA H . . . . . 4.00 3.35 7.10 . . . . . A . 14 PHE HA . . A . 16 HIS H . . . 14 . HA . . . . . 16 . HN . . rr_1edp 1
56 1 . . 1 1 17 17 LEU H H . . . 1 1 14 14 PHE HA H . . . . . 4.00 3.35 7.10 . . . . . A . 14 PHE HA . . A . 17 LEU H . . . 14 . HA . . . . . 17 . HN . . rr_1edp 1
57 1 . . 1 1 16 16 HIS H H . . . 1 1 13 13 TYR HA H . . . . . 3.60 3.35 3.88 . . . . . A . 13 TYR HA . . A . 16 HIS H . . . 13 . HA . . . . . 16 . HN . . rr_1edp 1
58 1 OR . 1 1 15 15 CYS H H . . . 1 1 14 14 PHE HB2 H . . . . . 3.00 2.30 3.20 . . . . . A . 14 PHE HB2 . . A . 15 CYS H . . . 14 . HB* . . . . . 15 . HN . . rr_1edp 1
58 2 OR . 1 1 15 15 CYS H H . . . 1 1 14 14 PHE HB3 H . . . . . 3.00 2.30 3.20 . . . . . A . 14 PHE HB3 . . A . 15 CYS H . . . 14 . HB* . . . . . 15 . HN . . rr_1edp 1
59 1 OR . 1 1 14 14 PHE H H . . . 1 1 13 13 TYR HB2 H . . . . . 2.80 2.10 3.00 . . . . . A . 13 TYR HB2 . . A . 14 PHE H . . . 13 . HB* . . . . . 14 . HN . . rr_1edp 1
59 2 OR . 1 1 14 14 PHE H H . . . 1 1 13 13 TYR HB3 H . . . . . 2.80 2.10 3.00 . . . . . A . 13 TYR HB3 . . A . 14 PHE H . . . 13 . HB* . . . . . 14 . HN . . rr_1edp 1
60 1 . . 1 1 15 15 CYS H H . . . 1 1 14 14 PHE QD H . . . . . 3.50 3.10 4.25 . . . . . A . 15 CYS H . . A . 14 PHE QD . . . 15 . HN . . . . . 14 . HD* . . rr_1edp 1
61 1 . . 1 1 15 15 CYS H H . . . 1 1 14 14 PHE HA H . . . . . 3.25 2.95 3.58 . . . . . A . 14 PHE HA . . A . 15 CYS H . . . 14 . HA . . . . . 15 . HN . . rr_1edp 1
62 1 . . 1 1 12 12 VAL H H . . . 1 1 11 11 CYS HA H . . . . . 3.20 3.00 3.47 . . . . . A . 11 CYS HA . . A . 12 VAL H . . . 11 . HA . . . . . 12 . HN . . rr_1edp 1
63 1 . . 1 1 6 6 LEU HA H . . . 1 1 7 7 MET H H . . . . . 3.15 2.80 3.45 . . . . . A . 6 LEU HA . . A . 7 MET H . . . 6 . HA . . . . . 7 . HN . . rr_1edp 1
64 1 . . 1 1 17 17 LEU H H . . . 1 1 16 16 HIS HA H . . . . . 2.90 2.60 3.15 . . . . . A . 16 HIS HA . . A . 17 LEU H . . . 16 . HA . . . . . 17 . HN . . rr_1edp 1
65 1 OR . 1 1 5 5 SER H H . . . 1 1 3 3 CYS HB2 H . . . . . 3.49 3.24 5.04 . . . . . A . 5 SER H . . A . 3 CYS HB2 . . . 5 . HN . . . . . 3 . HB* . . rr_1edp 1
65 2 OR . 1 1 5 5 SER H H . . . 1 1 3 3 CYS HB3 H . . . . . 3.49 3.24 5.04 . . . . . A . 5 SER H . . A . 3 CYS HB3 . . . 5 . HN . . . . . 3 . HB* . . rr_1edp 1
66 1 OR . 1 1 3 3 CYS H H . . . 1 1 3 3 CYS HB2 H . . . . . 2.80 2.50 3.45 . . . . . A . 3 CYS HB2 . . A . 3 CYS H . . . 3 . HB* . . . . . 3 . HN . . rr_1edp 1
66 2 OR . 1 1 3 3 CYS HB3 H . . . 1 1 3 3 CYS H H . . . . . 2.80 2.50 3.45 . . . . . A . 3 CYS HB3 . . A . 3 CYS H . . . 3 . HB* . . . . . 3 . HN . . rr_1edp 1
67 1 OR . 1 1 3 3 CYS H H . . . 1 1 6 6 LEU MD1 H . . . . . 3.40 3.10 4.00 . . . . . A . 3 CYS H . . A . 6 LEU MD1 . . . 3 . HN . . . . . 6 . HD* . . rr_1edp 1
67 2 OR . 1 1 3 3 CYS H H . . . 1 1 6 6 LEU MD2 H . . . . . 3.40 3.10 4.00 . . . . . A . 3 CYS H . . A . 6 LEU MD2 . . . 3 . HN . . . . . 6 . HD* . . rr_1edp 1
68 1 . . 1 1 6 6 LEU HA H . . . 1 1 12 12 VAL MG2 H . . . . . 2.75 2.55 3.40 . . . . . A . 6 LEU HA . . A . 12 VAL MG2 . . . 6 . HA . . . . . 12 . HG2* . . rr_1edp 1
69 1 . . 1 1 6 6 LEU H H . . . 1 1 12 12 VAL MG2 H . . . . . 4.00 3.70 9.10 . . . . . A . 6 LEU H . . A . 12 VAL MG2 . . . 6 . HN . . . . . 12 . HG2* . . rr_1edp 1
70 1 . . 1 1 6 6 LEU H H . . . 1 1 12 12 VAL MG1 H . . . . . 3.80 3.45 8.90 . . . . . A . 6 LEU H . . A . 12 VAL MG1 . . . 6 . HN . . . . . 12 . HG1* . . rr_1edp 1
71 1 . . 1 1 9 9 LYS HA H . . . 1 1 12 12 VAL MG2 H . . . . . 2.75 2.53 3.25 . . . . . A . 9 LYS HA . . A . 12 VAL MG2 . . . 9 . HA . . . . . 12 . HG2* . . rr_1edp 1
72 1 . . 1 1 9 9 LYS H H . . . 1 1 12 12 VAL MG1 H . . . . . 4.00 3.65 9.00 . . . . . A . 9 LYS H . . A . 12 VAL MG1 . . . 9 . HN . . . . . 12 . HG1* . . rr_1edp 1
73 1 . . 1 1 9 9 LYS H H . . . 1 1 12 12 VAL MG2 H . . . . . 4.00 3.65 9.10 . . . . . A . 9 LYS H . . A . 12 VAL MG2 . . . 9 . HN . . . . . 12 . HG2* . . rr_1edp 1
74 1 . . 1 1 12 12 VAL H H . . . 1 1 12 12 VAL MG2 H . . . . . 2.65 2.40 2.85 . . . . . A . 12 VAL H . . A . 12 VAL MG2 . . . 12 . HN . . . . . 12 . HG2* . . rr_1edp 1
75 1 . . 1 1 12 12 VAL HA H . . . 1 1 12 12 VAL MG1 H . . . . . 2.78 2.53 3.43 . . . . . A . 12 VAL HA . . A . 12 VAL MG1 . . . 12 . HA . . . . . 12 . HG1* . . rr_1edp 1
76 1 . . 1 1 12 12 VAL HA H . . . 1 1 12 12 VAL MG2 H . . . . . 2.42 2.17 2.87 . . . . . A . 12 VAL HA . . A . 12 VAL MG2 . . . 12 . HA . . . . . 12 . HG2* . . rr_1edp 1
77 1 . . 1 1 16 16 HIS H H . . . 1 1 12 12 VAL MG2 H . . . . . 3.80 3.50 9.80 . . . . . A . 16 HIS H . . A . 12 VAL MG2 . . . 16 . HN . . . . . 12 . HG2* . . rr_1edp 1
78 1 . . 1 1 13 13 TYR H H . . . 1 1 12 12 VAL MG1 H . . . . . 3.20 2.90 3.65 . . . . . A . 13 TYR H . . A . 12 VAL MG1 . . . 13 . HN . . . . . 12 . HG1* . . rr_1edp 1
79 1 . . 1 1 13 13 TYR H H . . . 1 1 12 12 VAL MG2 H . . . . . 3.45 3.00 4.25 . . . . . A . 13 TYR H . . A . 12 VAL MG2 . . . 13 . HN . . . . . 12 . HG2* . . rr_1edp 1
80 1 . . 1 1 12 12 VAL MG2 H . . . 1 1 16 16 HIS HD2 H . . . . . 4.00 3.40 10.00 . . . . . A . 16 HIS HD2 . . A . 12 VAL MG2 . . . 16 . HD2 . . . . . 12 . HG2* . . rr_1edp 1
81 1 . . 1 1 12 12 VAL MG1 H . . . 1 1 16 16 HIS HD2 H . . . . . 3.00 2.70 6.10 . . . . . A . 16 HIS HD2 . . A . 12 VAL MG1 . . . 16 . HD2 . . . . . 12 . HG1* . . rr_1edp 1
82 1 . . 1 1 13 13 TYR HA H . . . 1 1 12 12 VAL MG2 H . . . . . 4.00 3.20 7.10 . . . . . A . 13 TYR HA . . A . 12 VAL MG2 . . . 13 . HA . . . . . 12 . HG2* . . rr_1edp 1
83 1 OR . 1 1 14 14 PHE HB3 H . . . 1 1 17 17 LEU MD1 H . . . . . 4.00 2.90 13.00 . . . . . A . 14 PHE HB3 . . A . 17 LEU MD1 . . . 14 . HB* . . . . . 17 . HD* . . rr_1edp 1
83 2 OR . 1 1 14 14 PHE HB2 H . . . 1 1 17 17 LEU MD1 H . . . . . 4.00 2.90 13.00 . . . . . A . 14 PHE HB2 . . A . 17 LEU MD1 . . . 14 . HB* . . . . . 17 . HD* . . rr_1edp 1
83 3 OR . 1 1 17 17 LEU MD2 H . . . 1 1 14 14 PHE HB2 H . . . . . 4.00 2.90 13.00 . . . . . A . 14 PHE HB2 . . A . 17 LEU MD2 . . . 14 . HB* . . . . . 17 . HD* . . rr_1edp 1
83 4 OR . 1 1 14 14 PHE HB3 H . . . 1 1 17 17 LEU MD2 H . . . . . 4.00 2.90 13.00 . . . . . A . 14 PHE HB3 . . A . 17 LEU MD2 . . . 14 . HB* . . . . . 17 . HD* . . rr_1edp 1
84 1 OR . 1 1 17 17 LEU H H . . . 1 1 15 15 CYS HB2 H . . . . . 4.00 2.90 13.00 . . . . . A . 15 CYS HB2 . . A . 17 LEU H . . . 15 . HB* . . . . . 17 . HN . . rr_1edp 1
84 2 OR . 1 1 17 17 LEU H H . . . 1 1 15 15 CYS HB3 H . . . . . 4.00 2.90 13.00 . . . . . A . 15 CYS HB3 . . A . 17 LEU H . . . 15 . HB* . . . . . 17 . HN . . rr_1edp 1
85 1 OR . 1 1 14 14 PHE QD H . . . 1 1 1 1 CYS HB2 H . . . . . 4.00 2.80 13.00 . . . . . A . 1 CYS HB2 . . A . 14 PHE QD . . . 1 . HB* . . . . . 14 . HD* . . rr_1edp 1
85 2 OR . 1 1 14 14 PHE QD H . . . 1 1 1 1 CYS HB3 H . . . . . 4.00 2.80 13.00 . . . . . A . 1 CYS HB3 . . A . 14 PHE QD . . . 1 . HB* . . . . . 14 . HD* . . rr_1edp 1
86 1 OR . 1 1 14 14 PHE QE H . . . 1 1 1 1 CYS HB2 H . . . . . 4.00 2.80 13.00 . . . . . A . 1 CYS HB2 . . A . 14 PHE QE . . . 1 . HB* . . . . . 14 . HE* . . rr_1edp 1
86 2 OR . 1 1 1 1 CYS HB3 H . . . 1 1 14 14 PHE QE H . . . . . 4.00 2.80 13.00 . . . . . A . 1 CYS HB3 . . A . 14 PHE QE . . . 1 . HB* . . . . . 14 . HE* . . rr_1edp 1
87 1 OR . 1 1 5 5 SER H H . . . 1 1 6 6 LEU MD1 H . . . . . 4.00 3.05 10.00 . . . . . A . 5 SER H . . A . 6 LEU MD1 . . . 5 . HN . . . . . 6 . HD* . . rr_1edp 1
87 2 OR . 1 1 5 5 SER H H . . . 1 1 6 6 LEU MD2 H . . . . . 4.00 3.05 10.00 . . . . . A . 5 SER H . . A . 6 LEU MD2 . . . 5 . HN . . . . . 6 . HD* . . rr_1edp 1
88 1 . . 1 1 12 12 VAL MG2 H . . . 1 1 16 16 HIS HE1 H . . . . . 4.00 3.40 13.00 . . . . . A . 16 HIS HE1 . . A . 12 VAL MG2 . . . 16 . HE1 . . . . . 12 . HG2* . . rr_1edp 1
89 1 . . 1 1 1 1 CYS HA H . . . 1 1 17 17 LEU HA H . . . . . 4.00 2.85 13.00 . . . . . A . 1 CYS HA . . A . 17 LEU HA . . . 1 . HA . . . . . 17 . HA . . rr_1edp 1
90 1 . . 1 1 1 1 CYS HA H . . . 1 1 14 14 PHE QD H . . . . . 4.00 2.80 13.00 . . . . . A . 1 CYS HA . . A . 14 PHE QD . . . 1 . HA . . . . . 14 . HD* . . rr_1edp 1
91 1 . . 1 1 1 1 CYS HA H . . . 1 1 14 14 PHE QE H . . . . . 4.00 2.80 13.00 . . . . . A . 1 CYS HA . . A . 14 PHE QE . . . 1 . HA . . . . . 14 . HE* . . rr_1edp 1
92 1 OR . 1 1 16 16 HIS HD2 H . . . 1 1 2 2 SER HB2 H . . . . . 4.00 3.00 13.00 . . . . . A . 2 SER HB2 . . A . 16 HIS HD2 . . . 2 . HB* . . . . . 16 . HD2 . . rr_1edp 1
92 2 OR . 1 1 16 16 HIS HD2 H . . . 1 1 2 2 SER HB3 H . . . . . 4.00 3.00 13.00 . . . . . A . 2 SER HB3 . . A . 16 HIS HD2 . . . 2 . HB* . . . . . 16 . HD2 . . rr_1edp 1
93 1 OR . 1 1 12 12 VAL MG2 H . . . 1 1 2 2 SER HB2 H . . . . . 4.00 3.00 13.00 . . . . . A . 2 SER HB2 . . A . 12 VAL MG2 . . . 2 . HB* . . . . . 12 . HG2* . . rr_1edp 1
93 2 OR . 1 1 12 12 VAL MG2 H . . . 1 1 2 2 SER HB3 H . . . . . 4.00 3.00 13.00 . . . . . A . 2 SER HB3 . . A . 12 VAL MG2 . . . 2 . HB* . . . . . 12 . HG2* . . rr_1edp 1
94 1 . . 1 1 2 2 SER H H . . . 1 1 17 17 LEU HA H . . . . . 4.00 3.10 13.00 . . . . . A . 2 SER H . . A . 17 LEU HA . . . 2 . HN . . . . . 17 . HA . . rr_1edp 1
95 1 OR . 1 1 3 3 CYS HB3 H . . . 1 1 6 6 LEU MD2 H . . . . . 4.00 3.00 13.00 . . . . . A . 3 CYS HB3 . . A . 6 LEU MD2 . . . 3 . HB1 . . . . . 6 . HD* . . rr_1edp 1
95 2 OR . 1 1 3 3 CYS HB3 H . . . 1 1 6 6 LEU MD1 H . . . . . 4.00 3.00 13.00 . . . . . A . 3 CYS HB3 . . A . 6 LEU MD1 . . . 3 . HB1 . . . . . 6 . HD* . . rr_1edp 1
96 1 OR . 1 1 6 6 LEU MD2 H . . . 1 1 3 3 CYS HB2 H . . . . . 4.00 3.00 13.00 . . . . . A . 3 CYS HB2 . . A . 6 LEU MD2 . . . 3 . HB2 . . . . . 6 . HD* . . rr_1edp 1
96 2 OR . 1 1 3 3 CYS HB2 H . . . 1 1 6 6 LEU MD1 H . . . . . 4.00 3.00 13.00 . . . . . A . 3 CYS HB2 . . A . 6 LEU MD1 . . . 3 . HB2 . . . . . 6 . HD* . . rr_1edp 1
97 1 . . 1 1 3 3 CYS HB3 H . . . 1 1 12 12 VAL MG2 H . . . . . 4.00 3.00 13.00 . . . . . A . 3 CYS HB3 . . A . 12 VAL MG2 . . . 3 . HB1 . . . . . 12 . HG2* . . rr_1edp 1
98 1 . . 1 1 12 12 VAL MG2 H . . . 1 1 3 3 CYS HB2 H . . . . . 4.00 3.00 13.00 . . . . . A . 3 CYS HB2 . . A . 12 VAL MG2 . . . 3 . HB2 . . . . . 12 . HG2* . . rr_1edp 1
99 1 OR . 1 1 5 5 SER H H . . . 1 1 3 3 CYS HB2 H . . . . . 3.90 2.85 7.00 . . . . . A . 3 CYS HB2 . . A . 5 SER H . . . 3 . HB* . . . . . 5 . HN . . rr_1edp 1
99 2 OR . 1 1 5 5 SER H H . . . 1 1 3 3 CYS HB3 H . . . . . 3.90 2.85 7.00 . . . . . A . 3 CYS HB3 . . A . 5 SER H . . . 3 . HB* . . . . . 5 . HN . . rr_1edp 1
100 1 OR . 1 1 16 16 HIS H H . . . 1 1 13 13 TYR HB2 H . . . . . 3.20 3.00 8.20 . . . . . A . 16 HIS H . . A . 13 TYR HB2 . . . 16 . HN . . . . . 13 . HB* . . rr_1edp 1
100 2 OR . 1 1 13 13 TYR HB3 H . . . 1 1 16 16 HIS H H . . . . . 3.20 3.00 8.20 . . . . . A . 16 HIS H . . A . 13 TYR HB3 . . . 16 . HN . . . . . 13 . HB* . . rr_1edp 1
101 1 OR . 1 1 17 17 LEU H H . . . 1 1 13 13 TYR HB2 H . . . . . 3.25 3.05 8.25 . . . . . A . 17 LEU H . . A . 13 TYR HB2 . . . 17 . HN . . . . . 13 . HB* . . rr_1edp 1
101 2 OR . 1 1 13 13 TYR HB3 H . . . 1 1 17 17 LEU H H . . . . . 3.25 3.05 8.25 . . . . . A . 17 LEU H . . A . 13 TYR HB3 . . . 17 . HN . . . . . 13 . HB* . . rr_1edp 1
102 1 OR . 1 1 16 16 HIS H H . . . 1 1 15 15 CYS HB2 H . . . . . 3.30 2.85 6.40 . . . . . A . 15 CYS HB2 . . A . 16 HIS H . . . 15 . HB* . . . . . 16 . HN . . rr_1edp 1
102 2 OR . 1 1 16 16 HIS H H . . . 1 1 15 15 CYS HB3 H . . . . . 3.30 2.85 6.40 . . . . . A . 15 CYS HB3 . . A . 16 HIS H . . . 15 . HB* . . . . . 16 . HN . . rr_1edp 1
103 1 OR . 1 1 5 5 SER H H . . . 1 1 11 11 CYS HB2 H . . . . . 3.30 3.10 3.90 . . . . . A . 11 CYS HB2 . . A . 5 SER H . . . 11 . HB* . . . . . 5 . HN . . rr_1edp 1
103 2 OR . 1 1 5 5 SER H H . . . 1 1 11 11 CYS HB3 H . . . . . 3.30 3.10 3.90 . . . . . A . 11 CYS HB3 . . A . 5 SER H . . . 11 . HB* . . . . . 5 . HN . . rr_1edp 1
104 1 OR . 1 1 7 7 MET HA H . . . 1 1 9 9 LYS HE2 H . . . . . 3.80 3.15 4.45 . . . . . A . 9 LYS HE2 . . A . 7 MET HA . . . 9 . HE* . . . . . 7 . HA . . rr_1edp 1
104 2 OR . 1 1 7 7 MET HA H . . . 1 1 9 9 LYS HE3 H . . . . . 3.80 3.15 4.45 . . . . . A . 9 LYS HE3 . . A . 7 MET HA . . . 9 . HE* . . . . . 7 . HA . . rr_1edp 1
105 1 . . 1 1 9 9 LYS H H . . . 1 1 8 8 ASP HA H . . . . . 2.40 2.10 2.75 . . . . . A . 8 ASP HA . . A . 9 LYS H . . . 8 . HA . . . . . 9 . HN . . rr_1edp 1
106 1 OR . 1 1 3 3 CYS H H . . . 1 1 3 3 CYS HB2 H . . . . . 2.60 2.25 2.85 . . . . . A . 3 CYS HB2 . . A . 3 CYS H . . . 3 . HB* . . . . . 3 . HN . . rr_1edp 1
106 2 OR . 1 1 3 3 CYS HB3 H . . . 1 1 3 3 CYS H H . . . . . 2.60 2.25 2.85 . . . . . A . 3 CYS HB3 . . A . 3 CYS H . . . 3 . HB* . . . . . 3 . HN . . rr_1edp 1
107 1 OR . 1 1 9 9 LYS H H . . . 1 1 8 8 ASP HB2 H . . . . . 4.00 3.72 7.10 . . . . . A . 8 ASP HB2 . . A . 9 LYS H . . . 8 . HB* . . . . . 9 . HN . . rr_1edp 1
107 2 OR . 1 1 9 9 LYS H H . . . 1 1 8 8 ASP HB3 H . . . . . 4.00 3.72 7.10 . . . . . A . 8 ASP HB3 . . A . 9 LYS H . . . 8 . HB* . . . . . 9 . HN . . rr_1edp 1
108 1 OR . 1 1 8 8 ASP H H . . . 1 1 7 7 MET HB2 H . . . . . 2.45 2.15 2.70 . . . . . A . 7 MET HB2 . . A . 8 ASP H . . . 7 . HB* . . . . . 8 . HN . . rr_1edp 1
108 2 OR . 1 1 7 7 MET HB3 H . . . 1 1 8 8 ASP H H . . . . . 2.45 2.15 2.70 . . . . . A . 7 MET HB3 . . A . 8 ASP H . . . 7 . HB* . . . . . 8 . HN . . rr_1edp 1
109 1 OR . 1 1 11 11 CYS H H . . . 1 1 8 8 ASP HB2 H . . . . . 3.60 3.10 4.20 . . . . . A . 8 ASP HB2 . . A . 11 CYS H . . . 8 . HB* . . . . . 11 . HN . . rr_1edp 1
109 2 OR . 1 1 11 11 CYS H H . . . 1 1 8 8 ASP HB3 H . . . . . 3.60 3.10 4.20 . . . . . A . 8 ASP HB3 . . A . 11 CYS H . . . 8 . HB* . . . . . 11 . HN . . rr_1edp 1
110 1 . . 1 1 5 5 SER HA H . . . 1 1 7 7 MET H H . . . . . 4.00 3.15 7.10 . . . . . A . 5 SER HA . . A . 7 MET H . . . 5 . HA . . . . . 7 . HN . . rr_1edp 1
111 1 . . 1 1 12 12 VAL H H . . . 1 1 10 10 GLU HA H . . . . . 3.80 3.45 6.90 . . . . . A . 10 GLU HA . . A . 12 VAL H . . . 10 . HA . . . . . 12 . HN . . rr_1edp 1
112 1 OR . 1 1 8 8 ASP H H . . . 1 1 5 5 SER HB2 H . . . . . 3.10 2.90 3.75 . . . . . A . 5 SER HB2 . . A . 8 ASP H . . . 5 . HB* . . . . . 8 . HN . . rr_1edp 1
112 2 OR . 1 1 5 5 SER HB3 H . . . 1 1 8 8 ASP H H . . . . . 3.10 2.90 3.75 . . . . . A . 5 SER HB3 . . A . 8 ASP H . . . 5 . HB* . . . . . 8 . HN . . rr_1edp 1
113 1 OR . 1 1 6 6 LEU HA H . . . 1 1 6 6 LEU MD1 H . . . . . 2.50 2.25 2.95 . . . . . A . 6 LEU HA . . A . 6 LEU MD1 . . . 6 . HA . . . . . 6 . HD* . . rr_1edp 1
113 2 OR . 1 1 6 6 LEU HA H . . . 1 1 6 6 LEU MD2 H . . . . . 2.50 2.25 2.95 . . . . . A . 6 LEU HA . . A . 6 LEU MD2 . . . 6 . HA . . . . . 6 . HD* . . rr_1edp 1
114 1 . . 1 1 6 6 LEU HA H . . . 1 1 12 12 VAL MG1 H . . . . . 4.00 3.50 8.00 . . . . . A . 6 LEU HA . . A . 12 VAL MG1 . . . 6 . HA . . . . . 12 . HG1* . . rr_1edp 1
115 1 . . 1 1 9 9 LYS HA H . . . 1 1 12 12 VAL MG1 H . . . . . 3.50 3.30 4.40 . . . . . A . 9 LYS HA . . A . 12 VAL MG1 . . . 9 . HA . . . . . 12 . HG1* . . rr_1edp 1
116 1 . . 1 1 10 10 GLU H H . . . 1 1 12 12 VAL MG1 H . . . . . 4.00 3.65 9.10 . . . . . A . 10 GLU H . . A . 12 VAL MG1 . . . 10 . HN . . . . . 12 . HG1* . . rr_1edp 1
117 1 . . 1 1 10 10 GLU H H . . . 1 1 12 12 VAL MG2 H . . . . . 4.00 3.65 9.60 . . . . . A . 10 GLU H . . A . 12 VAL MG2 . . . 10 . HN . . . . . 12 . HG2* . . rr_1edp 1
118 1 . . 1 1 14 14 PHE HA H . . . 1 1 12 12 VAL MG2 H . . . . . 3.80 3.45 8.90 . . . . . A . 14 PHE HA . . A . 12 VAL MG2 . . . 14 . HA . . . . . 12 . HG2* . . rr_1edp 1
119 1 . . 1 1 13 13 TYR HA H . . . 1 1 12 12 VAL MG2 H . . . . . 3.65 3.35 6.75 . . . . . A . 13 TYR HA . . A . 12 VAL MG2 . . . 13 . HA . . . . . 12 . HG2* . . rr_1edp 1
120 1 . . 1 1 13 13 TYR HA H . . . 1 1 12 12 VAL MG1 H . . . . . 3.40 2.60 8.50 . . . . . A . 13 TYR HA . . A . 12 VAL MG1 . . . 13 . HA . . . . . 12 . HG1* . . rr_1edp 1
121 1 . . 1 1 12 12 VAL H H . . . 1 1 12 12 VAL MG1 H . . . . . 3.65 3.25 4.20 . . . . . A . 12 VAL H . . A . 12 VAL MG1 . . . 12 . HN . . . . . 12 . HG1* . . rr_1edp 1
122 1 OR . 1 1 6 6 LEU H H . . . 1 1 6 6 LEU MD1 H . . . . . 3.45 2.90 4.10 . . . . . A . 6 LEU H . . A . 6 LEU MD1 . . . 6 . HN . . . . . 6 . HD* . . rr_1edp 1
122 2 OR . 1 1 6 6 LEU H H . . . 1 1 6 6 LEU MD2 H . . . . . 3.45 2.90 4.10 . . . . . A . 6 LEU H . . A . 6 LEU MD2 . . . 6 . HN . . . . . 6 . HD* . . rr_1edp 1
123 1 OR . 1 1 2 2 SER HA H . . . 1 1 6 6 LEU MD1 H . . . . . 3.50 2.90 5.10 . . . . . A . 2 SER HA . . A . 6 LEU MD1 . . . 2 . HA . . . . . 6 . HD* . . rr_1edp 1
123 2 OR . 1 1 2 2 SER HA H . . . 1 1 6 6 LEU MD2 H . . . . . 3.50 2.90 5.10 . . . . . A . 2 SER HA . . A . 6 LEU MD2 . . . 2 . HA . . . . . 6 . HD* . . rr_1edp 1
124 1 . . 1 1 16 16 HIS H H . . . 1 1 12 12 VAL MG1 H . . . . . 4.00 3.25 9.10 . . . . . A . 16 HIS H . . A . 12 VAL MG1 . . . 16 . HN . . . . . 12 . HG1* . . rr_1edp 1
125 1 OR . 1 1 10 10 GLU H H . . . 1 1 8 8 ASP HB2 H . . . . . 3.60 3.10 6.70 . . . . . A . 8 ASP HB2 . . A . 10 GLU H . . . 8 . HB* . . . . . 10 . HN . . rr_1edp 1
125 2 OR . 1 1 10 10 GLU H H . . . 1 1 8 8 ASP HB3 H . . . . . 3.60 3.10 6.70 . . . . . A . 8 ASP HB3 . . A . 10 GLU H . . . 8 . HB* . . . . . 10 . HN . . rr_1edp 1
126 1 . . 1 1 16 16 HIS H H . . . 1 1 12 12 VAL MG1 H . . . . . 3.50 3.15 9.50 . . . . . A . 16 HIS H . . A . 12 VAL MG1 . . . 16 . HN . . . . . 12 . HG1* . . rr_1edp 1
127 1 . . 1 1 16 16 HIS HA H . . . 1 1 12 12 VAL MG1 H . . . . . 3.50 3.00 9.50 . . . . . A . 16 HIS HA . . A . 12 VAL MG1 . . . 16 . HA . . . . . 12 . HG1* . . rr_1edp 1
128 1 OR . 1 1 12 12 VAL MG1 H . . . 1 1 16 16 HIS HB2 H . . . . . 3.50 2.90 9.50 . . . . . A . 16 HIS HB2 . . A . 12 VAL MG1 . . . 16 . HB* . . . . . 12 . HG1* . . rr_1edp 1
128 2 OR . 1 1 12 12 VAL MG1 H . . . 1 1 16 16 HIS HB3 H . . . . . 3.50 2.90 9.50 . . . . . A . 16 HIS HB3 . . A . 12 VAL MG1 . . . 16 . HB* . . . . . 12 . HG1* . . rr_1edp 1
129 1 . . 1 1 10 10 GLU H H . . . 1 1 12 12 VAL H H . . . . . 4.00 3.25 10.00 . . . . . A . 10 GLU H . . A . 12 VAL H . . . 10 . HN . . . . . 12 . HN . . rr_1edp 1
130 1 OR . 1 1 13 13 TYR H H . . . 1 1 17 17 LEU HB2 H . . . . . 4.00 3.45 13.00 . . . . . A . 13 TYR H . . A . 17 LEU HB2 . . . 13 . HN . . . . . 17 . HB* . . rr_1edp 1
130 2 OR . 1 1 13 13 TYR H H . . . 1 1 17 17 LEU HB3 H . . . . . 4.00 3.45 13.00 . . . . . A . 13 TYR H . . A . 17 LEU HB3 . . . 13 . HN . . . . . 17 . HB* . . rr_1edp 1
131 1 . . 1 1 17 17 LEU H H . . . 1 1 16 16 HIS HD2 H . . . . . 4.00 3.10 13.00 . . . . . A . 16 HIS HD2 . . A . 17 LEU H . . . 16 . HD2 . . . . . 17 . HN . . rr_1edp 1
132 1 OR . 1 1 2 2 SER HA H . . . 1 1 6 6 LEU MD1 H . . . . . 4.00 2.90 7.10 . . . . . A . 2 SER HA . . A . 6 LEU MD1 . . . 2 . HA . . . . . 6 . HD* . . rr_1edp 1
132 2 OR . 1 1 2 2 SER HA H . . . 1 1 6 6 LEU MD2 H . . . . . 4.00 2.90 7.10 . . . . . A . 2 SER HA . . A . 6 LEU MD2 . . . 2 . HA . . . . . 6 . HD* . . rr_1edp 1
133 1 OR . 1 1 2 2 SER HA H . . . 1 1 16 16 HIS HB2 H . . . . . 4.00 3.25 13.00 . . . . . A . 2 SER HA . . A . 16 HIS HB2 . . . 2 . HA . . . . . 16 . HB* . . rr_1edp 1
133 2 OR . 1 1 2 2 SER HA H . . . 1 1 16 16 HIS HB3 H . . . . . 4.00 3.25 13.00 . . . . . A . 2 SER HA . . A . 16 HIS HB3 . . . 2 . HA . . . . . 16 . HB* . . rr_1edp 1
134 1 . . 1 1 2 2 SER HA H . . . 1 1 16 16 HIS HD2 H . . . . . 4.00 3.10 13.00 . . . . . A . 2 SER HA . . A . 16 HIS HD2 . . . 2 . HA . . . . . 16 . HD2 . . rr_1edp 1
135 1 OR . 1 1 2 2 SER HA H . . . 1 1 15 15 CYS HB2 H . . . . . 4.00 3.10 13.00 . . . . . A . 2 SER HA . . A . 15 CYS HB2 . . . 2 . HA . . . . . 15 . HB* . . rr_1edp 1
135 2 OR . 1 1 2 2 SER HA H . . . 1 1 15 15 CYS HB3 H . . . . . 4.00 3.10 13.00 . . . . . A . 2 SER HA . . A . 15 CYS HB3 . . . 2 . HA . . . . . 15 . HB* . . rr_1edp 1
136 1 OR . 1 1 4 4 SER H H . . . 1 1 2 2 SER HB2 H . . . . . 4.00 2.85 10.00 . . . . . A . 2 SER HB2 . . A . 4 SER H . . . 2 . HB* . . . . . 4 . HN . . rr_1edp 1
136 2 OR . 1 1 4 4 SER H H . . . 1 1 2 2 SER HB3 H . . . . . 4.00 2.85 10.00 . . . . . A . 2 SER HB3 . . A . 4 SER H . . . 2 . HB* . . . . . 4 . HN . . rr_1edp 1
137 1 . . 1 1 3 3 CYS H H . . . 1 1 16 16 HIS HD2 H . . . . . 4.00 3.20 13.00 . . . . . A . 3 CYS H . . A . 16 HIS HD2 . . . 3 . HN . . . . . 16 . HD2 . . rr_1edp 1
138 1 . . 1 1 3 3 CYS H H . . . 1 1 12 12 VAL MG2 H . . . . . 4.00 3.30 13.00 . . . . . A . 3 CYS H . . A . 12 VAL MG2 . . . 3 . HN . . . . . 12 . HG2* . . rr_1edp 1
139 1 OR . 1 1 5 5 SER HA H . . . 1 1 6 6 LEU MD1 H . . . . . 4.00 3.05 10.00 . . . . . A . 5 SER HA . . A . 6 LEU MD1 . . . 5 . HA . . . . . 6 . HD* . . rr_1edp 1
139 2 OR . 1 1 5 5 SER HA H . . . 1 1 6 6 LEU MD2 H . . . . . 4.00 3.05 10.00 . . . . . A . 5 SER HA . . A . 6 LEU MD2 . . . 5 . HA . . . . . 6 . HD* . . rr_1edp 1
140 1 OR . 1 1 5 5 SER H H . . . 1 1 11 11 CYS HB2 H . . . . . 4.00 3.15 13.00 . . . . . A . 5 SER H . . A . 11 CYS HB2 . . . 5 . HN . . . . . 11 . HB* . . rr_1edp 1
140 2 OR . 1 1 5 5 SER H H . . . 1 1 11 11 CYS HB3 H . . . . . 4.00 3.15 13.00 . . . . . A . 5 SER H . . A . 11 CYS HB3 . . . 5 . HN . . . . . 11 . HB* . . rr_1edp 1
141 1 . . 1 1 13 13 TYR HA H . . . 1 1 16 16 HIS HD2 H . . . . . 4.00 3.15 10.00 . . . . . A . 13 TYR HA . . A . 16 HIS HD2 . . . 13 . HA . . . . . 16 . HD2 . . rr_1edp 1
142 1 OR . 1 1 16 16 HIS H H . . . 1 1 17 17 LEU HB2 H . . . . . 3.70 3.35 4.60 . . . . . A . 16 HIS H . . A . 17 LEU HB2 . . . 16 . HN . . . . . 17 . HB* . . rr_1edp 1
142 2 OR . 1 1 16 16 HIS H H . . . 1 1 17 17 LEU HB3 H . . . . . 3.70 3.35 4.60 . . . . . A . 16 HIS H . . A . 17 LEU HB3 . . . 16 . HN . . . . . 17 . HB* . . rr_1edp 1
143 1 . . 1 1 13 13 TYR QD H . . . 1 1 13 13 TYR HA H . . . . . 2.70 2.45 3.25 . . . . . A . 13 TYR QD . . A . 13 TYR HA . . . 13 . HD* . . . . . 13 . HA . . rr_1edp 1
144 1 . . 1 1 13 13 TYR H H . . . 1 1 13 13 TYR QD H . . . . . 3.10 2.65 3.55 . . . . . A . 13 TYR QD . . A . 13 TYR H . . . 13 . HD* . . . . . 13 . HN . . rr_1edp 1
145 1 OR . 1 1 13 13 TYR QD H . . . 1 1 13 13 TYR HB2 H . . . . . 2.55 2.20 3.00 . . . . . A . 13 TYR QD . . A . 13 TYR HB2 . . . 13 . HD* . . . . . 13 . HB* . . rr_1edp 1
145 2 OR . 1 1 13 13 TYR HB3 H . . . 1 1 13 13 TYR QD H . . . . . 2.55 2.20 3.00 . . . . . A . 13 TYR QD . . A . 13 TYR HB3 . . . 13 . HD* . . . . . 13 . HB* . . rr_1edp 1
146 1 . . 1 1 14 14 PHE H H . . . 1 1 14 14 PHE QD H . . . . . 3.00 2.65 3.45 . . . . . A . 14 PHE QD . . A . 14 PHE H . . . 14 . HD* . . . . . 14 . HN . . rr_1edp 1
147 1 . . 1 1 14 14 PHE HA H . . . 1 1 14 14 PHE QD H . . . . . 2.70 2.45 3.25 . . . . . A . 14 PHE QD . . A . 14 PHE HA . . . 14 . HD* . . . . . 14 . HA . . rr_1edp 1
148 1 OR . 1 1 14 14 PHE QD H . . . 1 1 14 14 PHE HB2 H . . . . . 2.40 2.15 3.08 . . . . . A . 14 PHE QD . . A . 14 PHE HB2 . . . 14 . HD* . . . . . 14 . HB* . . rr_1edp 1
148 2 OR . 1 1 14 14 PHE HB3 H . . . 1 1 14 14 PHE QD H . . . . . 2.40 2.15 3.08 . . . . . A . 14 PHE QD . . A . 14 PHE HB3 . . . 14 . HD* . . . . . 14 . HB* . . rr_1edp 1
149 1 . . 1 1 11 11 CYS HA H . . . 1 1 14 14 PHE QD H . . . . . 3.90 3.55 4.80 . . . . . A . 14 PHE QD . . A . 11 CYS HA . . . 14 . HD* . . . . . 11 . HA . . rr_1edp 1
stop_
loop_
_Gen_dist_constraint_comment_org.ID
_Gen_dist_constraint_comment_org.Comment_text
_Gen_dist_constraint_comment_org.Comment_begin_line
_Gen_dist_constraint_comment_org.Comment_begin_column
_Gen_dist_constraint_comment_org.Comment_end_line
_Gen_dist_constraint_comment_org.Comment_end_column
_Gen_dist_constraint_comment_org.Entry_ID
_Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID
1
;NOE classification: KEY
key noe constraints (108 entries)
distance constraints are XPLOR format
TABLE OF INTERPROTON DISTANCES
lst value is equ. value, 2nd value is error on - side
3rd value is error on + side
;
1 1 6 39 rr_1edp 1
2
;echo=false
wrnlev=0
;
7 1 8 16 rr_1edp 1
3 short.tbl 39 1 39 20 rr_1edp 1
4 keyMe.tbl 79 1 79 20 rr_1edp 1
5 keylb.tbl 93 1 93 20 rr_1edp 1
6 long 118 1 118 15 rr_1edp 1
7
;end of key noe distance constraints
NOE classification: SECONDRAY
other less well-determined sequential connectivities
;
121 1 125 63 rr_1edp 1
8 "only distinct at pH = 5.8" 133 1 133 36 rr_1edp 1
9 Me.tbl 135 1 135 20 rr_1edp 1
10 "was shor4fsl.tbl now otherlb" 148 1 148 41 rr_1edp 1
11 cterm1.tbl 169 1 169 21 rr_1edp 1
12
;short2 .tbl
aryl side chain, etc. that could have motion problems
;
185 1 186 64 rr_1edp 1
stop_
loop_
_Gen_dist_constraint_conv_err.ID
_Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID
_Gen_dist_constraint_conv_err.Parse_file_constraint_ID
_Gen_dist_constraint_conv_err.Conv_error_type
_Gen_dist_constraint_conv_err.Conv_error_note
_Gen_dist_constraint_conv_err.Entry_ID
_Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID
1 2 42 1 "Not handling restraint 42, item 1, resonance(s) ' .19.HB' (nmrStar names) not linked" rr_1edp 1
2 2 57 1 "Not handling restraint 57, item 1, resonance(s) ' .18.HB*' (nmrStar names) not linked" rr_1edp 1
3 2 60 1 "Not handling restraint 60, item 1, resonance(s) ' .18.HN' (nmrStar names) not linked" rr_1edp 1
4 2 98 1 "Not handling restraint 98, item 1, resonance(s) ' .18.HB*' (nmrStar names) not linked" rr_1edp 1
5 2 145 1 "Not handling restraint 145, item 1, resonance(s) ' .18.HN' (nmrStar names) not linked" rr_1edp 1
6 2 147 1 "Not handling restraint 147, item 1, resonance(s) ' .19.HN' (nmrStar names) not linked" rr_1edp 1
7 2 148 1 "Not handling restraint 148, item 1, resonance(s) ' .19.HN' (nmrStar names) not linked" rr_1edp 1
8 2 149 1 "Not handling restraint 149, item 1, resonance(s) ' .19.HN' (nmrStar names),' .18.HA' (nmrStar names) not linked" rr_1edp 1
9 2 150 1 "Not handling restraint 150, item 1, resonance(s) ' .19.HA' (nmrStar names),' .20.HN' (nmrStar names) not linked" rr_1edp 1
10 2 151 1 "Not handling restraint 151, item 1, resonance(s) ' .20.HA' (nmrStar names),' .21.HN' (nmrStar names) not linked" rr_1edp 1
11 2 152 1 "Not handling restraint 152, item 1, resonance(s) ' .18.HB*' (nmrStar names) not linked" rr_1edp 1
12 2 153 1 "Not handling restraint 153, item 1, resonance(s) ' .19.HD*' (nmrStar names) not linked" rr_1edp 1
13 2 154 1 "Not handling restraint 154, item 1, resonance(s) ' .18.HB*' (nmrStar names) not linked" rr_1edp 1
14 2 155 1 "Not handling restraint 155, item 1, resonance(s) ' .18.HN' (nmrStar names),' .19.HN' (nmrStar names) not linked" rr_1edp 1
15 2 156 1 "Not handling restraint 156, item 1, resonance(s) ' .19.HN' (nmrStar names),' .20.HN' (nmrStar names) not linked" rr_1edp 1
16 2 157 1 "Not handling restraint 157, item 1, resonance(s) ' .18.HN' (nmrStar names) not linked" rr_1edp 1
17 2 158 1 "Not handling restraint 158, item 1, resonance(s) ' .18.HB*' (nmrStar names),' .19.HN' (nmrStar names) not linked" rr_1edp 1
18 2 159 1 "Not handling restraint 159, item 1, resonance(s) ' .20.HN' (nmrStar names),' .21.HN' (nmrStar names) not linked" rr_1edp 1
19 2 160 1 "Not handling restraint 160, item 1, resonance(s) ' .21.HN' (nmrStar names),' .20.HB' (nmrStar names) not linked" rr_1edp 1
20 2 161 1 "Not handling restraint 161, item 1, resonance(s) ' .18.HN' (nmrStar names) not linked" rr_1edp 1
21 2 161 1 "Not handling restraint 161, item 1, resonance(s) ' .18.HN' (nmrStar names) not linked" rr_1edp 1
22 2 163 1 "Not handling restraint 163, item 1, resonance(s) ' .18.HN' (nmrStar names) not linked" rr_1edp 1
stop_
save_
save_CNS/XPLOR_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_2_1
_Distance_constraint_list.Entry_ID rr_1edp
_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_1edp 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_1edp 1
2 1 . . . rr_1edp 1
3 1 . . . rr_1edp 1
4 1 . . . rr_1edp 1
5 1 . . . rr_1edp 1
6 1 . . . rr_1edp 1
7 1 . . . rr_1edp 1
8 1 . . . rr_1edp 1
9 1 . . . rr_1edp 1
10 1 . . . rr_1edp 1
11 1 . . . rr_1edp 1
12 1 2 . OR rr_1edp 1
12 2 . 3 . rr_1edp 1
12 3 . . . rr_1edp 1
13 1 2 . OR rr_1edp 1
13 2 . 3 . rr_1edp 1
13 3 . . . rr_1edp 1
14 1 2 . OR rr_1edp 1
14 2 . 3 . rr_1edp 1
14 3 . . . rr_1edp 1
15 1 2 . OR rr_1edp 1
15 2 . 3 . rr_1edp 1
15 3 . . . rr_1edp 1
16 1 2 . OR rr_1edp 1
16 2 . 3 . rr_1edp 1
16 3 . . . rr_1edp 1
17 1 2 . OR rr_1edp 1
17 2 . 3 . rr_1edp 1
17 3 . . . rr_1edp 1
18 1 2 . OR rr_1edp 1
18 2 . 3 . rr_1edp 1
18 3 . . . rr_1edp 1
19 1 2 . OR rr_1edp 1
19 2 . 3 . rr_1edp 1
19 3 . . . rr_1edp 1
20 1 . . . rr_1edp 1
21 1 . . . rr_1edp 1
22 1 . . . rr_1edp 1
23 1 . . . rr_1edp 1
24 1 . . . rr_1edp 1
25 1 . . . rr_1edp 1
26 1 2 . OR rr_1edp 1
26 2 . 3 . rr_1edp 1
26 3 . . . rr_1edp 1
27 1 2 . OR rr_1edp 1
27 2 . 3 . rr_1edp 1
27 3 . . . rr_1edp 1
28 1 . . . rr_1edp 1
29 1 . . . rr_1edp 1
30 1 2 . OR rr_1edp 1
30 2 . 3 . rr_1edp 1
30 3 . . . rr_1edp 1
31 1 . . . rr_1edp 1
32 1 . . . rr_1edp 1
33 1 . . . rr_1edp 1
34 1 . . . rr_1edp 1
35 1 . . . rr_1edp 1
36 1 . . . rr_1edp 1
37 1 . . . rr_1edp 1
38 1 . . . rr_1edp 1
39 1 . . . rr_1edp 1
40 1 2 . OR rr_1edp 1
40 2 . 3 . rr_1edp 1
40 3 . . . rr_1edp 1
41 1 2 . OR rr_1edp 1
41 2 . 3 . rr_1edp 1
41 3 . . . rr_1edp 1
42 1 . . . rr_1edp 1
43 1 . . . rr_1edp 1
44 1 . . . rr_1edp 1
45 1 . . . rr_1edp 1
46 1 . . . rr_1edp 1
47 1 2 . OR rr_1edp 1
47 2 . 3 . rr_1edp 1
47 3 . . . rr_1edp 1
48 1 2 . OR rr_1edp 1
48 2 . 3 . rr_1edp 1
48 3 . . . rr_1edp 1
49 1 . . . rr_1edp 1
50 1 . . . rr_1edp 1
51 1 . . . rr_1edp 1
52 1 2 . OR rr_1edp 1
52 2 . 3 . rr_1edp 1
52 3 . . . rr_1edp 1
53 1 . . . rr_1edp 1
54 1 . . . rr_1edp 1
55 1 . . . rr_1edp 1
56 1 . . . rr_1edp 1
57 1 . . . rr_1edp 1
58 1 2 . OR rr_1edp 1
58 2 . 3 . rr_1edp 1
58 3 . . . rr_1edp 1
59 1 2 . OR rr_1edp 1
59 2 . 3 . rr_1edp 1
59 3 . . . rr_1edp 1
60 1 . . . rr_1edp 1
61 1 . . . rr_1edp 1
62 1 . . . rr_1edp 1
63 1 . . . rr_1edp 1
64 1 . . . rr_1edp 1
65 1 2 . OR rr_1edp 1
65 2 . 3 . rr_1edp 1
65 3 . . . rr_1edp 1
66 1 2 . OR rr_1edp 1
66 2 . 3 . rr_1edp 1
66 3 . . . rr_1edp 1
67 1 2 . OR rr_1edp 1
67 2 . 3 . rr_1edp 1
67 3 . . . rr_1edp 1
68 1 . . . rr_1edp 1
69 1 . . . rr_1edp 1
70 1 . . . rr_1edp 1
71 1 . . . rr_1edp 1
72 1 . . . rr_1edp 1
73 1 . . . rr_1edp 1
74 1 . . . rr_1edp 1
75 1 . . . rr_1edp 1
76 1 . . . rr_1edp 1
77 1 . . . rr_1edp 1
78 1 . . . rr_1edp 1
79 1 . . . rr_1edp 1
80 1 . . . rr_1edp 1
81 1 . . . rr_1edp 1
82 1 . . . rr_1edp 1
83 1 2 . OR rr_1edp 1
83 2 . 3 . rr_1edp 1
83 3 . 4 . rr_1edp 1
83 4 . 5 . rr_1edp 1
83 5 . . . rr_1edp 1
84 1 2 . OR rr_1edp 1
84 2 . 3 . rr_1edp 1
84 3 . . . rr_1edp 1
85 1 2 . OR rr_1edp 1
85 2 . 3 . rr_1edp 1
85 3 . . . rr_1edp 1
86 1 2 . OR rr_1edp 1
86 2 . 3 . rr_1edp 1
86 3 . . . rr_1edp 1
87 1 2 . OR rr_1edp 1
87 2 . 3 . rr_1edp 1
87 3 . . . rr_1edp 1
88 1 . . . rr_1edp 1
89 1 . . . rr_1edp 1
90 1 . . . rr_1edp 1
91 1 . . . rr_1edp 1
92 1 2 . OR rr_1edp 1
92 2 . 3 . rr_1edp 1
92 3 . . . rr_1edp 1
93 1 2 . OR rr_1edp 1
93 2 . 3 . rr_1edp 1
93 3 . . . rr_1edp 1
94 1 . . . rr_1edp 1
95 1 2 . OR rr_1edp 1
95 2 . 3 . rr_1edp 1
95 3 . . . rr_1edp 1
96 1 2 . OR rr_1edp 1
96 2 . 3 . rr_1edp 1
96 3 . . . rr_1edp 1
97 1 . . . rr_1edp 1
98 1 . . . rr_1edp 1
99 1 2 . OR rr_1edp 1
99 2 . 3 . rr_1edp 1
99 3 . . . rr_1edp 1
100 1 2 . OR rr_1edp 1
100 2 . 3 . rr_1edp 1
100 3 . . . rr_1edp 1
101 1 2 . OR rr_1edp 1
101 2 . 3 . rr_1edp 1
101 3 . . . rr_1edp 1
102 1 2 . OR rr_1edp 1
102 2 . 3 . rr_1edp 1
102 3 . . . rr_1edp 1
103 1 2 . OR rr_1edp 1
103 2 . 3 . rr_1edp 1
103 3 . . . rr_1edp 1
104 1 2 . OR rr_1edp 1
104 2 . 3 . rr_1edp 1
104 3 . . . rr_1edp 1
105 1 . . . rr_1edp 1
106 1 2 . OR rr_1edp 1
106 2 . 3 . rr_1edp 1
106 3 . . . rr_1edp 1
107 1 2 . OR rr_1edp 1
107 2 . 3 . rr_1edp 1
107 3 . . . rr_1edp 1
108 1 2 . OR rr_1edp 1
108 2 . 3 . rr_1edp 1
108 3 . . . rr_1edp 1
109 1 2 . OR rr_1edp 1
109 2 . 3 . rr_1edp 1
109 3 . . . rr_1edp 1
110 1 . . . rr_1edp 1
111 1 . . . rr_1edp 1
112 1 2 . OR rr_1edp 1
112 2 . 3 . rr_1edp 1
112 3 . . . rr_1edp 1
113 1 2 . OR rr_1edp 1
113 2 . 3 . rr_1edp 1
113 3 . . . rr_1edp 1
114 1 . . . rr_1edp 1
115 1 . . . rr_1edp 1
116 1 . . . rr_1edp 1
117 1 . . . rr_1edp 1
118 1 . . . rr_1edp 1
119 1 . . . rr_1edp 1
120 1 . . . rr_1edp 1
121 1 . . . rr_1edp 1
122 1 2 . OR rr_1edp 1
122 2 . 3 . rr_1edp 1
122 3 . . . rr_1edp 1
123 1 2 . OR rr_1edp 1
123 2 . 3 . rr_1edp 1
123 3 . . . rr_1edp 1
124 1 . . . rr_1edp 1
125 1 2 . OR rr_1edp 1
125 2 . 3 . rr_1edp 1
125 3 . . . rr_1edp 1
126 1 . . . rr_1edp 1
127 1 . . . rr_1edp 1
128 1 2 . OR rr_1edp 1
128 2 . 3 . rr_1edp 1
128 3 . . . rr_1edp 1
129 1 . . . rr_1edp 1
130 1 2 . OR rr_1edp 1
130 2 . 3 . rr_1edp 1
130 3 . . . rr_1edp 1
131 1 . . . rr_1edp 1
132 1 2 . OR rr_1edp 1
132 2 . 3 . rr_1edp 1
132 3 . . . rr_1edp 1
133 1 2 . OR rr_1edp 1
133 2 . 3 . rr_1edp 1
133 3 . . . rr_1edp 1
134 1 . . . rr_1edp 1
135 1 2 . OR rr_1edp 1
135 2 . 3 . rr_1edp 1
135 3 . . . rr_1edp 1
136 1 2 . OR rr_1edp 1
136 2 . 3 . rr_1edp 1
136 3 . . . rr_1edp 1
137 1 . . . rr_1edp 1
138 1 . . . rr_1edp 1
139 1 2 . OR rr_1edp 1
139 2 . 3 . rr_1edp 1
139 3 . . . rr_1edp 1
140 1 2 . OR rr_1edp 1
140 2 . 3 . rr_1edp 1
140 3 . . . rr_1edp 1
141 1 . . . rr_1edp 1
142 1 2 . OR rr_1edp 1
142 2 . 3 . rr_1edp 1
142 3 . . . rr_1edp 1
143 1 . . . rr_1edp 1
144 1 . . . rr_1edp 1
145 1 2 . OR rr_1edp 1
145 2 . 3 . rr_1edp 1
145 3 . . . rr_1edp 1
146 1 . . . rr_1edp 1
147 1 . . . rr_1edp 1
148 1 2 . OR rr_1edp 1
148 2 . 3 . rr_1edp 1
148 3 . . . rr_1edp 1
149 1 . . . rr_1edp 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 10 10 GLU H H . . . . 10 . HN rr_1edp 1
1 1 . 2 . 1 1 11 11 CYS H H . . . . 11 . HN rr_1edp 1
2 1 . 1 . 1 1 11 11 CYS H H . . . . 11 . HN rr_1edp 1
2 1 . 2 . 1 1 12 12 VAL H H . . . . 12 . HN rr_1edp 1
3 1 . 1 . 1 1 12 12 VAL H H . . . . 12 . HN rr_1edp 1
3 1 . 2 . 1 1 13 13 TYR H H . . . . 13 . HN rr_1edp 1
4 1 . 1 . 1 1 13 13 TYR H H . . . . 13 . HN rr_1edp 1
4 1 . 2 . 1 1 14 14 PHE H H . . . . 14 . HN rr_1edp 1
5 1 . 1 . 1 1 14 14 PHE H H . . . . 14 . HN rr_1edp 1
5 1 . 2 . 1 1 15 15 CYS H H . . . . 15 . HN rr_1edp 1
6 1 . 1 . 1 1 11 11 CYS HA H . . . . 11 . HA rr_1edp 1
6 1 . 2 . 1 1 12 12 VAL H H . . . . 12 . HN rr_1edp 1
7 1 . 1 . 1 1 12 12 VAL HA H . . . . 12 . HA rr_1edp 1
7 1 . 2 . 1 1 15 15 CYS H H . . . . 15 . HN rr_1edp 1
8 1 . 1 . 1 1 9 9 LYS HA H . . . . 9 . HA rr_1edp 1
8 1 . 2 . 1 1 12 12 VAL HB H . . . . 12 . HB rr_1edp 1
9 1 . 1 . 1 1 9 9 LYS HA H . . . . 9 . HA rr_1edp 1
9 1 . 2 . 1 1 12 12 VAL H H . . . . 12 . HN rr_1edp 1
10 1 . 1 . 1 1 6 6 LEU HA H . . . . 6 . HA rr_1edp 1
10 1 . 2 . 1 1 9 9 LYS H H . . . . 9 . HN rr_1edp 1
11 1 . 1 . 1 1 14 14 PHE H H . . . . 14 . HN rr_1edp 1
11 1 . 2 . 1 1 12 12 VAL HA H . . . . 12 . HA rr_1edp 1
12 2 . 1 . 1 1 11 11 CYS H H . . . . 11 . HN rr_1edp 1
12 2 . 2 . 1 1 8 8 ASP HB2 H . . . . 8 . HB* rr_1edp 1
12 3 . 1 . 1 1 11 11 CYS H H . . . . 11 . HN rr_1edp 1
12 3 . 2 . 1 1 8 8 ASP HB3 H . . . . 8 . HB* rr_1edp 1
13 2 . 1 . 1 1 10 10 GLU HA H . . . . 10 . HA rr_1edp 1
13 2 . 2 . 1 1 13 13 TYR HB2 H . . . . 13 . HB* rr_1edp 1
13 3 . 1 . 1 1 10 10 GLU HA H . . . . 10 . HA rr_1edp 1
13 3 . 2 . 1 1 13 13 TYR HB3 H . . . . 13 . HB* rr_1edp 1
14 2 . 1 . 1 1 2 2 SER HA H . . . . 2 . HA rr_1edp 1
14 2 . 2 . 1 1 5 5 SER HB2 H . . . . 5 . HB* rr_1edp 1
14 3 . 1 . 1 1 2 2 SER HA H . . . . 2 . HA rr_1edp 1
14 3 . 2 . 1 1 5 5 SER HB3 H . . . . 5 . HB* rr_1edp 1
15 2 . 1 . 1 1 3 3 CYS HA H . . . . 3 . HA rr_1edp 1
15 2 . 2 . 1 1 6 6 LEU HB2 H . . . . 6 . HB* rr_1edp 1
15 3 . 1 . 1 1 3 3 CYS HA H . . . . 3 . HA rr_1edp 1
15 3 . 2 . 1 1 6 6 LEU HB3 H . . . . 6 . HB* rr_1edp 1
16 2 . 1 . 1 1 4 4 SER HA H . . . . 4 . HA rr_1edp 1
16 2 . 2 . 1 1 7 7 MET HB2 H . . . . 7 . HB* rr_1edp 1
16 3 . 1 . 1 1 4 4 SER HA H . . . . 4 . HA rr_1edp 1
16 3 . 2 . 1 1 7 7 MET HB3 H . . . . 7 . HB* rr_1edp 1
17 2 . 1 . 1 1 5 5 SER HA H . . . . 5 . HA rr_1edp 1
17 2 . 2 . 1 1 8 8 ASP HB2 H . . . . 8 . HB* rr_1edp 1
17 3 . 1 . 1 1 5 5 SER HA H . . . . 5 . HA rr_1edp 1
17 3 . 2 . 1 1 8 8 ASP HB3 H . . . . 8 . HB* rr_1edp 1
18 2 . 1 . 1 1 6 6 LEU HA H . . . . 6 . HA rr_1edp 1
18 2 . 2 . 1 1 9 9 LYS HB2 H . . . . 9 . HB* rr_1edp 1
18 3 . 1 . 1 1 6 6 LEU HA H . . . . 6 . HA rr_1edp 1
18 3 . 2 . 1 1 9 9 LYS HB3 H . . . . 9 . HB* rr_1edp 1
19 2 . 1 . 1 1 7 7 MET HA H . . . . 7 . HA rr_1edp 1
19 2 . 2 . 1 1 10 10 GLU HB2 H . . . . 10 . HB* rr_1edp 1
19 3 . 1 . 1 1 7 7 MET HA H . . . . 7 . HA rr_1edp 1
19 3 . 2 . 1 1 10 10 GLU HB3 H . . . . 10 . HB* rr_1edp 1
20 1 . 1 . 1 1 1 1 CYS HA H . . . . 1 . HA rr_1edp 1
20 1 . 2 . 1 1 2 2 SER H H . . . . 2 . HN rr_1edp 1
21 1 . 1 . 1 1 10 10 GLU HA H . . . . 10 . HA rr_1edp 1
21 1 . 2 . 1 1 13 13 TYR H H . . . . 13 . HN rr_1edp 1
22 1 . 1 . 1 1 12 12 VAL HA H . . . . 12 . HA rr_1edp 1
22 1 . 2 . 1 1 12 12 VAL HB H . . . . 12 . HB rr_1edp 1
23 1 . 1 . 1 1 13 13 TYR QD H . . . . 13 . HD* rr_1edp 1
23 1 . 2 . 1 1 14 14 PHE H H . . . . 14 . HN rr_1edp 1
24 1 . 1 . 1 1 12 12 VAL HA H . . . . 12 . HA rr_1edp 1
24 1 . 2 . 1 1 17 17 LEU H H . . . . 17 . HN rr_1edp 1
25 1 . 1 . 1 1 12 12 VAL HA H . . . . 12 . HA rr_1edp 1
25 1 . 2 . 1 1 16 16 HIS H H . . . . 16 . HN rr_1edp 1
26 2 . 1 . 1 1 8 8 ASP HB2 H . . . . 8 . HB* rr_1edp 1
26 2 . 2 . 1 1 9 9 LYS H H . . . . 9 . HN rr_1edp 1
26 3 . 1 . 1 1 8 8 ASP HB3 H . . . . 8 . HB* rr_1edp 1
26 3 . 2 . 1 1 9 9 LYS H H . . . . 9 . HN rr_1edp 1
27 2 . 1 . 1 1 7 7 MET HB2 H . . . . 7 . HB* rr_1edp 1
27 2 . 2 . 1 1 8 8 ASP H H . . . . 8 . HN rr_1edp 1
27 3 . 1 . 1 1 7 7 MET HB3 H . . . . 7 . HB* rr_1edp 1
27 3 . 2 . 1 1 8 8 ASP H H . . . . 8 . HN rr_1edp 1
28 1 . 1 . 1 1 7 7 MET H H . . . . 7 . HN rr_1edp 1
28 1 . 2 . 1 1 8 8 ASP H H . . . . 8 . HN rr_1edp 1
29 1 . 1 . 1 1 8 8 ASP H H . . . . 8 . HN rr_1edp 1
29 1 . 2 . 1 1 9 9 LYS H H . . . . 9 . HN rr_1edp 1
30 2 . 1 . 1 1 5 5 SER HB2 H . . . . 5 . HB* rr_1edp 1
30 2 . 2 . 1 1 7 7 MET H H . . . . 7 . HN rr_1edp 1
30 3 . 1 . 1 1 5 5 SER HB3 H . . . . 5 . HB* rr_1edp 1
30 3 . 2 . 1 1 7 7 MET H H . . . . 7 . HN rr_1edp 1
31 1 . 1 . 1 1 6 6 LEU H H . . . . 6 . HN rr_1edp 1
31 1 . 2 . 1 1 7 7 MET H H . . . . 7 . HN rr_1edp 1
32 1 . 1 . 1 1 15 15 CYS HA H . . . . 15 . HA rr_1edp 1
32 1 . 2 . 1 1 16 16 HIS H H . . . . 16 . HN rr_1edp 1
33 1 . 1 . 1 1 3 3 CYS HA H . . . . 3 . HA rr_1edp 1
33 1 . 2 . 1 1 4 4 SER H H . . . . 4 . HN rr_1edp 1
34 1 . 1 . 1 1 12 12 VAL HA H . . . . 12 . HA rr_1edp 1
34 1 . 2 . 1 1 13 13 TYR H H . . . . 13 . HN rr_1edp 1
35 1 . 1 . 1 1 5 5 SER HA H . . . . 5 . HA rr_1edp 1
35 1 . 2 . 1 1 6 6 LEU H H . . . . 6 . HN rr_1edp 1
36 1 . 1 . 1 1 12 12 VAL HB H . . . . 12 . HB rr_1edp 1
36 1 . 2 . 1 1 13 13 TYR H H . . . . 13 . HN rr_1edp 1
37 1 . 1 . 1 1 9 9 LYS HA H . . . . 9 . HA rr_1edp 1
37 1 . 2 . 1 1 10 10 GLU H H . . . . 10 . HN rr_1edp 1
38 1 . 1 . 1 1 9 9 LYS HA H . . . . 9 . HA rr_1edp 1
38 1 . 2 . 1 1 12 12 VAL H H . . . . 12 . HN rr_1edp 1
39 1 . 1 . 1 1 15 15 CYS H H . . . . 15 . HN rr_1edp 1
39 1 . 2 . 1 1 16 16 HIS H H . . . . 16 . HN rr_1edp 1
40 2 . 1 . 1 1 12 12 VAL HA H . . . . 12 . HA rr_1edp 1
40 2 . 2 . 1 1 15 15 CYS HB2 H . . . . 15 . HB* rr_1edp 1
40 3 . 1 . 1 1 12 12 VAL HA H . . . . 12 . HA rr_1edp 1
40 3 . 2 . 1 1 15 15 CYS HB3 H . . . . 15 . HB* rr_1edp 1
41 2 . 1 . 1 1 7 7 MET H H . . . . 7 . HN rr_1edp 1
41 2 . 2 . 1 1 6 6 LEU HB2 H . . . . 6 . HB* rr_1edp 1
41 3 . 1 . 1 1 7 7 MET H H . . . . 7 . HN rr_1edp 1
41 3 . 2 . 1 1 6 6 LEU HB3 H . . . . 6 . HB* rr_1edp 1
42 1 . 1 . 1 1 5 5 SER H H . . . . 5 . HN rr_1edp 1
42 1 . 2 . 1 1 6 6 LEU H H . . . . 6 . HN rr_1edp 1
43 1 . 1 . 1 1 9 9 LYS H H . . . . 9 . HN rr_1edp 1
43 1 . 2 . 1 1 10 10 GLU H H . . . . 10 . HN rr_1edp 1
44 1 . 1 . 1 1 13 13 TYR HA H . . . . 13 . HA rr_1edp 1
44 1 . 2 . 1 1 14 14 PHE H H . . . . 14 . HN rr_1edp 1
45 1 . 1 . 1 1 9 9 LYS HA H . . . . 9 . HA rr_1edp 1
45 1 . 2 . 1 1 13 13 TYR H H . . . . 13 . HN rr_1edp 1
46 1 . 1 . 1 1 14 14 PHE H H . . . . 14 . HN rr_1edp 1
46 1 . 2 . 1 1 10 10 GLU HA H . . . . 10 . HA rr_1edp 1
47 2 . 1 . 1 1 15 15 CYS H H . . . . 15 . HN rr_1edp 1
47 2 . 2 . 1 1 15 15 CYS HB2 H . . . . 15 . HB* rr_1edp 1
47 3 . 1 . 1 1 15 15 CYS H H . . . . 15 . HN rr_1edp 1
47 3 . 2 . 1 1 15 15 CYS HB3 H . . . . 15 . HB* rr_1edp 1
48 2 . 1 . 1 1 11 11 CYS H H . . . . 11 . HN rr_1edp 1
48 2 . 2 . 1 1 10 10 GLU HB2 H . . . . 10 . HB* rr_1edp 1
48 3 . 1 . 1 1 11 11 CYS H H . . . . 11 . HN rr_1edp 1
48 3 . 2 . 1 1 10 10 GLU HB3 H . . . . 10 . HB* rr_1edp 1
49 1 . 1 . 1 1 10 10 GLU HA H . . . . 10 . HA rr_1edp 1
49 1 . 2 . 1 1 13 13 TYR QD H . . . . 13 . HD* rr_1edp 1
50 1 . 1 . 1 1 17 17 LEU H H . . . . 17 . HN rr_1edp 1
50 1 . 2 . 1 1 12 12 VAL HB H . . . . 12 . HB rr_1edp 1
51 1 . 1 . 1 1 11 11 CYS HA H . . . . 11 . HA rr_1edp 1
51 1 . 2 . 1 1 14 14 PHE H H . . . . 14 . HN rr_1edp 1
52 2 . 1 . 1 1 11 11 CYS HA H . . . . 11 . HA rr_1edp 1
52 2 . 2 . 1 1 13 13 TYR HB2 H . . . . 13 . HB* rr_1edp 1
52 3 . 1 . 1 1 11 11 CYS HA H . . . . 11 . HA rr_1edp 1
52 3 . 2 . 1 1 13 13 TYR HB3 H . . . . 13 . HB* rr_1edp 1
53 1 . 1 . 1 1 7 7 MET HA H . . . . 7 . HA rr_1edp 1
53 1 . 2 . 1 1 10 10 GLU H H . . . . 10 . HN rr_1edp 1
54 1 . 1 . 1 1 9 9 LYS HA H . . . . 9 . HA rr_1edp 1
54 1 . 2 . 1 1 11 11 CYS H H . . . . 11 . HN rr_1edp 1
55 1 . 1 . 1 1 14 14 PHE HA H . . . . 14 . HA rr_1edp 1
55 1 . 2 . 1 1 16 16 HIS H H . . . . 16 . HN rr_1edp 1
56 1 . 1 . 1 1 14 14 PHE HA H . . . . 14 . HA rr_1edp 1
56 1 . 2 . 1 1 17 17 LEU H H . . . . 17 . HN rr_1edp 1
57 1 . 1 . 1 1 13 13 TYR HA H . . . . 13 . HA rr_1edp 1
57 1 . 2 . 1 1 16 16 HIS H H . . . . 16 . HN rr_1edp 1
58 2 . 1 . 1 1 14 14 PHE HB2 H . . . . 14 . HB* rr_1edp 1
58 2 . 2 . 1 1 15 15 CYS H H . . . . 15 . HN rr_1edp 1
58 3 . 1 . 1 1 14 14 PHE HB3 H . . . . 14 . HB* rr_1edp 1
58 3 . 2 . 1 1 15 15 CYS H H . . . . 15 . HN rr_1edp 1
59 2 . 1 . 1 1 13 13 TYR HB2 H . . . . 13 . HB* rr_1edp 1
59 2 . 2 . 1 1 14 14 PHE H H . . . . 14 . HN rr_1edp 1
59 3 . 1 . 1 1 13 13 TYR HB3 H . . . . 13 . HB* rr_1edp 1
59 3 . 2 . 1 1 14 14 PHE H H . . . . 14 . HN rr_1edp 1
60 1 . 1 . 1 1 15 15 CYS H H . . . . 15 . HN rr_1edp 1
60 1 . 2 . 1 1 14 14 PHE QD H . . . . 14 . HD* rr_1edp 1
61 1 . 1 . 1 1 14 14 PHE HA H . . . . 14 . HA rr_1edp 1
61 1 . 2 . 1 1 15 15 CYS H H . . . . 15 . HN rr_1edp 1
62 1 . 1 . 1 1 11 11 CYS HA H . . . . 11 . HA rr_1edp 1
62 1 . 2 . 1 1 12 12 VAL H H . . . . 12 . HN rr_1edp 1
63 1 . 1 . 1 1 6 6 LEU HA H . . . . 6 . HA rr_1edp 1
63 1 . 2 . 1 1 7 7 MET H H . . . . 7 . HN rr_1edp 1
64 1 . 1 . 1 1 16 16 HIS HA H . . . . 16 . HA rr_1edp 1
64 1 . 2 . 1 1 17 17 LEU H H . . . . 17 . HN rr_1edp 1
65 2 . 1 . 1 1 5 5 SER H H . . . . 5 . HN rr_1edp 1
65 2 . 2 . 1 1 3 3 CYS HB2 H . . . . 3 . HB* rr_1edp 1
65 3 . 1 . 1 1 5 5 SER H H . . . . 5 . HN rr_1edp 1
65 3 . 2 . 1 1 3 3 CYS HB3 H . . . . 3 . HB* rr_1edp 1
66 2 . 1 . 1 1 3 3 CYS HB2 H . . . . 3 . HB* rr_1edp 1
66 2 . 2 . 1 1 3 3 CYS H H . . . . 3 . HN rr_1edp 1
66 3 . 1 . 1 1 3 3 CYS HB3 H . . . . 3 . HB* rr_1edp 1
66 3 . 2 . 1 1 3 3 CYS H H . . . . 3 . HN rr_1edp 1
67 2 . 1 . 1 1 3 3 CYS H H . . . . 3 . HN rr_1edp 1
67 2 . 2 . 1 1 6 6 LEU MD1 H . . . . 6 . HD* rr_1edp 1
67 3 . 1 . 1 1 3 3 CYS H H . . . . 3 . HN rr_1edp 1
67 3 . 2 . 1 1 6 6 LEU MD2 H . . . . 6 . HD* rr_1edp 1
68 1 . 1 . 1 1 6 6 LEU HA H . . . . 6 . HA rr_1edp 1
68 1 . 2 . 1 1 12 12 VAL MG2 H . . . . 12 . HG2* rr_1edp 1
69 1 . 1 . 1 1 6 6 LEU H H . . . . 6 . HN rr_1edp 1
69 1 . 2 . 1 1 12 12 VAL MG2 H . . . . 12 . HG2* rr_1edp 1
70 1 . 1 . 1 1 6 6 LEU H H . . . . 6 . HN rr_1edp 1
70 1 . 2 . 1 1 12 12 VAL MG1 H . . . . 12 . HG1* rr_1edp 1
71 1 . 1 . 1 1 9 9 LYS HA H . . . . 9 . HA rr_1edp 1
71 1 . 2 . 1 1 12 12 VAL MG2 H . . . . 12 . HG2* rr_1edp 1
72 1 . 1 . 1 1 9 9 LYS H H . . . . 9 . HN rr_1edp 1
72 1 . 2 . 1 1 12 12 VAL MG1 H . . . . 12 . HG1* rr_1edp 1
73 1 . 1 . 1 1 9 9 LYS H H . . . . 9 . HN rr_1edp 1
73 1 . 2 . 1 1 12 12 VAL MG2 H . . . . 12 . HG2* rr_1edp 1
74 1 . 1 . 1 1 12 12 VAL H H . . . . 12 . HN rr_1edp 1
74 1 . 2 . 1 1 12 12 VAL MG2 H . . . . 12 . HG2* rr_1edp 1
75 1 . 1 . 1 1 12 12 VAL HA H . . . . 12 . HA rr_1edp 1
75 1 . 2 . 1 1 12 12 VAL MG1 H . . . . 12 . HG1* rr_1edp 1
76 1 . 1 . 1 1 12 12 VAL HA H . . . . 12 . HA rr_1edp 1
76 1 . 2 . 1 1 12 12 VAL MG2 H . . . . 12 . HG2* rr_1edp 1
77 1 . 1 . 1 1 16 16 HIS H H . . . . 16 . HN rr_1edp 1
77 1 . 2 . 1 1 12 12 VAL MG2 H . . . . 12 . HG2* rr_1edp 1
78 1 . 1 . 1 1 13 13 TYR H H . . . . 13 . HN rr_1edp 1
78 1 . 2 . 1 1 12 12 VAL MG1 H . . . . 12 . HG1* rr_1edp 1
79 1 . 1 . 1 1 13 13 TYR H H . . . . 13 . HN rr_1edp 1
79 1 . 2 . 1 1 12 12 VAL MG2 H . . . . 12 . HG2* rr_1edp 1
80 1 . 1 . 1 1 16 16 HIS HD2 H . . . . 16 . HD2 rr_1edp 1
80 1 . 2 . 1 1 12 12 VAL MG2 H . . . . 12 . HG2* rr_1edp 1
81 1 . 1 . 1 1 16 16 HIS HD2 H . . . . 16 . HD2 rr_1edp 1
81 1 . 2 . 1 1 12 12 VAL MG1 H . . . . 12 . HG1* rr_1edp 1
82 1 . 1 . 1 1 13 13 TYR HA H . . . . 13 . HA rr_1edp 1
82 1 . 2 . 1 1 12 12 VAL MG2 H . . . . 12 . HG2* rr_1edp 1
83 2 . 1 . 1 1 14 14 PHE HB3 H . . . . 14 . HB* rr_1edp 1
83 2 . 2 . 1 1 17 17 LEU MD1 H . . . . 17 . HD* rr_1edp 1
83 3 . 1 . 1 1 14 14 PHE HB2 H . . . . 14 . HB* rr_1edp 1
83 3 . 2 . 1 1 17 17 LEU MD1 H . . . . 17 . HD* rr_1edp 1
83 4 . 1 . 1 1 14 14 PHE HB2 H . . . . 14 . HB* rr_1edp 1
83 4 . 2 . 1 1 17 17 LEU MD2 H . . . . 17 . HD* rr_1edp 1
83 5 . 1 . 1 1 14 14 PHE HB3 H . . . . 14 . HB* rr_1edp 1
83 5 . 2 . 1 1 17 17 LEU MD2 H . . . . 17 . HD* rr_1edp 1
84 2 . 1 . 1 1 15 15 CYS HB2 H . . . . 15 . HB* rr_1edp 1
84 2 . 2 . 1 1 17 17 LEU H H . . . . 17 . HN rr_1edp 1
84 3 . 1 . 1 1 15 15 CYS HB3 H . . . . 15 . HB* rr_1edp 1
84 3 . 2 . 1 1 17 17 LEU H H . . . . 17 . HN rr_1edp 1
85 2 . 1 . 1 1 1 1 CYS HB2 H . . . . 1 . HB* rr_1edp 1
85 2 . 2 . 1 1 14 14 PHE QD H . . . . 14 . HD* rr_1edp 1
85 3 . 1 . 1 1 1 1 CYS HB3 H . . . . 1 . HB* rr_1edp 1
85 3 . 2 . 1 1 14 14 PHE QD H . . . . 14 . HD* rr_1edp 1
86 2 . 1 . 1 1 1 1 CYS HB2 H . . . . 1 . HB* rr_1edp 1
86 2 . 2 . 1 1 14 14 PHE QE H . . . . 14 . HE* rr_1edp 1
86 3 . 1 . 1 1 1 1 CYS HB3 H . . . . 1 . HB* rr_1edp 1
86 3 . 2 . 1 1 14 14 PHE QE H . . . . 14 . HE* rr_1edp 1
87 2 . 1 . 1 1 5 5 SER H H . . . . 5 . HN rr_1edp 1
87 2 . 2 . 1 1 6 6 LEU MD1 H . . . . 6 . HD* rr_1edp 1
87 3 . 1 . 1 1 5 5 SER H H . . . . 5 . HN rr_1edp 1
87 3 . 2 . 1 1 6 6 LEU MD2 H . . . . 6 . HD* rr_1edp 1
88 1 . 1 . 1 1 16 16 HIS HE1 H . . . . 16 . HE1 rr_1edp 1
88 1 . 2 . 1 1 12 12 VAL MG2 H . . . . 12 . HG2* rr_1edp 1
89 1 . 1 . 1 1 1 1 CYS HA H . . . . 1 . HA rr_1edp 1
89 1 . 2 . 1 1 17 17 LEU HA H . . . . 17 . HA rr_1edp 1
90 1 . 1 . 1 1 1 1 CYS HA H . . . . 1 . HA rr_1edp 1
90 1 . 2 . 1 1 14 14 PHE QD H . . . . 14 . HD* rr_1edp 1
91 1 . 1 . 1 1 1 1 CYS HA H . . . . 1 . HA rr_1edp 1
91 1 . 2 . 1 1 14 14 PHE QE H . . . . 14 . HE* rr_1edp 1
92 2 . 1 . 1 1 2 2 SER HB2 H . . . . 2 . HB* rr_1edp 1
92 2 . 2 . 1 1 16 16 HIS HD2 H . . . . 16 . HD2 rr_1edp 1
92 3 . 1 . 1 1 2 2 SER HB3 H . . . . 2 . HB* rr_1edp 1
92 3 . 2 . 1 1 16 16 HIS HD2 H . . . . 16 . HD2 rr_1edp 1
93 2 . 1 . 1 1 2 2 SER HB2 H . . . . 2 . HB* rr_1edp 1
93 2 . 2 . 1 1 12 12 VAL MG2 H . . . . 12 . HG2* rr_1edp 1
93 3 . 1 . 1 1 2 2 SER HB3 H . . . . 2 . HB* rr_1edp 1
93 3 . 2 . 1 1 12 12 VAL MG2 H . . . . 12 . HG2* rr_1edp 1
94 1 . 1 . 1 1 2 2 SER H H . . . . 2 . HN rr_1edp 1
94 1 . 2 . 1 1 17 17 LEU HA H . . . . 17 . HA rr_1edp 1
95 2 . 1 . 1 1 3 3 CYS HB3 H . . . . 3 . HB1 rr_1edp 1
95 2 . 2 . 1 1 6 6 LEU MD2 H . . . . 6 . HD* rr_1edp 1
95 3 . 1 . 1 1 3 3 CYS HB3 H . . . . 3 . HB1 rr_1edp 1
95 3 . 2 . 1 1 6 6 LEU MD1 H . . . . 6 . HD* rr_1edp 1
96 2 . 1 . 1 1 3 3 CYS HB2 H . . . . 3 . HB2 rr_1edp 1
96 2 . 2 . 1 1 6 6 LEU MD2 H . . . . 6 . HD* rr_1edp 1
96 3 . 1 . 1 1 3 3 CYS HB2 H . . . . 3 . HB2 rr_1edp 1
96 3 . 2 . 1 1 6 6 LEU MD1 H . . . . 6 . HD* rr_1edp 1
97 1 . 1 . 1 1 3 3 CYS HB3 H . . . . 3 . HB1 rr_1edp 1
97 1 . 2 . 1 1 12 12 VAL MG2 H . . . . 12 . HG2* rr_1edp 1
98 1 . 1 . 1 1 3 3 CYS HB2 H . . . . 3 . HB2 rr_1edp 1
98 1 . 2 . 1 1 12 12 VAL MG2 H . . . . 12 . HG2* rr_1edp 1
99 2 . 1 . 1 1 3 3 CYS HB2 H . . . . 3 . HB* rr_1edp 1
99 2 . 2 . 1 1 5 5 SER H H . . . . 5 . HN rr_1edp 1
99 3 . 1 . 1 1 3 3 CYS HB3 H . . . . 3 . HB* rr_1edp 1
99 3 . 2 . 1 1 5 5 SER H H . . . . 5 . HN rr_1edp 1
100 2 . 1 . 1 1 16 16 HIS H H . . . . 16 . HN rr_1edp 1
100 2 . 2 . 1 1 13 13 TYR HB2 H . . . . 13 . HB* rr_1edp 1
100 3 . 1 . 1 1 16 16 HIS H H . . . . 16 . HN rr_1edp 1
100 3 . 2 . 1 1 13 13 TYR HB3 H . . . . 13 . HB* rr_1edp 1
101 2 . 1 . 1 1 17 17 LEU H H . . . . 17 . HN rr_1edp 1
101 2 . 2 . 1 1 13 13 TYR HB2 H . . . . 13 . HB* rr_1edp 1
101 3 . 1 . 1 1 17 17 LEU H H . . . . 17 . HN rr_1edp 1
101 3 . 2 . 1 1 13 13 TYR HB3 H . . . . 13 . HB* rr_1edp 1
102 2 . 1 . 1 1 15 15 CYS HB2 H . . . . 15 . HB* rr_1edp 1
102 2 . 2 . 1 1 16 16 HIS H H . . . . 16 . HN rr_1edp 1
102 3 . 1 . 1 1 15 15 CYS HB3 H . . . . 15 . HB* rr_1edp 1
102 3 . 2 . 1 1 16 16 HIS H H . . . . 16 . HN rr_1edp 1
103 2 . 1 . 1 1 11 11 CYS HB2 H . . . . 11 . HB* rr_1edp 1
103 2 . 2 . 1 1 5 5 SER H H . . . . 5 . HN rr_1edp 1
103 3 . 1 . 1 1 11 11 CYS HB3 H . . . . 11 . HB* rr_1edp 1
103 3 . 2 . 1 1 5 5 SER H H . . . . 5 . HN rr_1edp 1
104 2 . 1 . 1 1 9 9 LYS HE2 H . . . . 9 . HE* rr_1edp 1
104 2 . 2 . 1 1 7 7 MET HA H . . . . 7 . HA rr_1edp 1
104 3 . 1 . 1 1 9 9 LYS HE3 H . . . . 9 . HE* rr_1edp 1
104 3 . 2 . 1 1 7 7 MET HA H . . . . 7 . HA rr_1edp 1
105 1 . 1 . 1 1 8 8 ASP HA H . . . . 8 . HA rr_1edp 1
105 1 . 2 . 1 1 9 9 LYS H H . . . . 9 . HN rr_1edp 1
106 2 . 1 . 1 1 3 3 CYS HB2 H . . . . 3 . HB* rr_1edp 1
106 2 . 2 . 1 1 3 3 CYS H H . . . . 3 . HN rr_1edp 1
106 3 . 1 . 1 1 3 3 CYS HB3 H . . . . 3 . HB* rr_1edp 1
106 3 . 2 . 1 1 3 3 CYS H H . . . . 3 . HN rr_1edp 1
107 2 . 1 . 1 1 8 8 ASP HB2 H . . . . 8 . HB* rr_1edp 1
107 2 . 2 . 1 1 9 9 LYS H H . . . . 9 . HN rr_1edp 1
107 3 . 1 . 1 1 8 8 ASP HB3 H . . . . 8 . HB* rr_1edp 1
107 3 . 2 . 1 1 9 9 LYS H H . . . . 9 . HN rr_1edp 1
108 2 . 1 . 1 1 7 7 MET HB2 H . . . . 7 . HB* rr_1edp 1
108 2 . 2 . 1 1 8 8 ASP H H . . . . 8 . HN rr_1edp 1
108 3 . 1 . 1 1 7 7 MET HB3 H . . . . 7 . HB* rr_1edp 1
108 3 . 2 . 1 1 8 8 ASP H H . . . . 8 . HN rr_1edp 1
109 2 . 1 . 1 1 8 8 ASP HB2 H . . . . 8 . HB* rr_1edp 1
109 2 . 2 . 1 1 11 11 CYS H H . . . . 11 . HN rr_1edp 1
109 3 . 1 . 1 1 8 8 ASP HB3 H . . . . 8 . HB* rr_1edp 1
109 3 . 2 . 1 1 11 11 CYS H H . . . . 11 . HN rr_1edp 1
110 1 . 1 . 1 1 5 5 SER HA H . . . . 5 . HA rr_1edp 1
110 1 . 2 . 1 1 7 7 MET H H . . . . 7 . HN rr_1edp 1
111 1 . 1 . 1 1 10 10 GLU HA H . . . . 10 . HA rr_1edp 1
111 1 . 2 . 1 1 12 12 VAL H H . . . . 12 . HN rr_1edp 1
112 2 . 1 . 1 1 5 5 SER HB2 H . . . . 5 . HB* rr_1edp 1
112 2 . 2 . 1 1 8 8 ASP H H . . . . 8 . HN rr_1edp 1
112 3 . 1 . 1 1 5 5 SER HB3 H . . . . 5 . HB* rr_1edp 1
112 3 . 2 . 1 1 8 8 ASP H H . . . . 8 . HN rr_1edp 1
113 2 . 1 . 1 1 6 6 LEU HA H . . . . 6 . HA rr_1edp 1
113 2 . 2 . 1 1 6 6 LEU MD1 H . . . . 6 . HD* rr_1edp 1
113 3 . 1 . 1 1 6 6 LEU HA H . . . . 6 . HA rr_1edp 1
113 3 . 2 . 1 1 6 6 LEU MD2 H . . . . 6 . HD* rr_1edp 1
114 1 . 1 . 1 1 6 6 LEU HA H . . . . 6 . HA rr_1edp 1
114 1 . 2 . 1 1 12 12 VAL MG1 H . . . . 12 . HG1* rr_1edp 1
115 1 . 1 . 1 1 9 9 LYS HA H . . . . 9 . HA rr_1edp 1
115 1 . 2 . 1 1 12 12 VAL MG1 H . . . . 12 . HG1* rr_1edp 1
116 1 . 1 . 1 1 10 10 GLU H H . . . . 10 . HN rr_1edp 1
116 1 . 2 . 1 1 12 12 VAL MG1 H . . . . 12 . HG1* rr_1edp 1
117 1 . 1 . 1 1 10 10 GLU H H . . . . 10 . HN rr_1edp 1
117 1 . 2 . 1 1 12 12 VAL MG2 H . . . . 12 . HG2* rr_1edp 1
118 1 . 1 . 1 1 14 14 PHE HA H . . . . 14 . HA rr_1edp 1
118 1 . 2 . 1 1 12 12 VAL MG2 H . . . . 12 . HG2* rr_1edp 1
119 1 . 1 . 1 1 13 13 TYR HA H . . . . 13 . HA rr_1edp 1
119 1 . 2 . 1 1 12 12 VAL MG2 H . . . . 12 . HG2* rr_1edp 1
120 1 . 1 . 1 1 13 13 TYR HA H . . . . 13 . HA rr_1edp 1
120 1 . 2 . 1 1 12 12 VAL MG1 H . . . . 12 . HG1* rr_1edp 1
121 1 . 1 . 1 1 12 12 VAL H H . . . . 12 . HN rr_1edp 1
121 1 . 2 . 1 1 12 12 VAL MG1 H . . . . 12 . HG1* rr_1edp 1
122 2 . 1 . 1 1 6 6 LEU H H . . . . 6 . HN rr_1edp 1
122 2 . 2 . 1 1 6 6 LEU MD1 H . . . . 6 . HD* rr_1edp 1
122 3 . 1 . 1 1 6 6 LEU H H . . . . 6 . HN rr_1edp 1
122 3 . 2 . 1 1 6 6 LEU MD2 H . . . . 6 . HD* rr_1edp 1
123 2 . 1 . 1 1 2 2 SER HA H . . . . 2 . HA rr_1edp 1
123 2 . 2 . 1 1 6 6 LEU MD1 H . . . . 6 . HD* rr_1edp 1
123 3 . 1 . 1 1 2 2 SER HA H . . . . 2 . HA rr_1edp 1
123 3 . 2 . 1 1 6 6 LEU MD2 H . . . . 6 . HD* rr_1edp 1
124 1 . 1 . 1 1 16 16 HIS H H . . . . 16 . HN rr_1edp 1
124 1 . 2 . 1 1 12 12 VAL MG1 H . . . . 12 . HG1* rr_1edp 1
125 2 . 1 . 1 1 8 8 ASP HB2 H . . . . 8 . HB* rr_1edp 1
125 2 . 2 . 1 1 10 10 GLU H H . . . . 10 . HN rr_1edp 1
125 3 . 1 . 1 1 8 8 ASP HB3 H . . . . 8 . HB* rr_1edp 1
125 3 . 2 . 1 1 10 10 GLU H H . . . . 10 . HN rr_1edp 1
126 1 . 1 . 1 1 16 16 HIS H H . . . . 16 . HN rr_1edp 1
126 1 . 2 . 1 1 12 12 VAL MG1 H . . . . 12 . HG1* rr_1edp 1
127 1 . 1 . 1 1 16 16 HIS HA H . . . . 16 . HA rr_1edp 1
127 1 . 2 . 1 1 12 12 VAL MG1 H . . . . 12 . HG1* rr_1edp 1
128 2 . 1 . 1 1 16 16 HIS HB2 H . . . . 16 . HB* rr_1edp 1
128 2 . 2 . 1 1 12 12 VAL MG1 H . . . . 12 . HG1* rr_1edp 1
128 3 . 1 . 1 1 16 16 HIS HB3 H . . . . 16 . HB* rr_1edp 1
128 3 . 2 . 1 1 12 12 VAL MG1 H . . . . 12 . HG1* rr_1edp 1
129 1 . 1 . 1 1 10 10 GLU H H . . . . 10 . HN rr_1edp 1
129 1 . 2 . 1 1 12 12 VAL H H . . . . 12 . HN rr_1edp 1
130 2 . 1 . 1 1 13 13 TYR H H . . . . 13 . HN rr_1edp 1
130 2 . 2 . 1 1 17 17 LEU HB2 H . . . . 17 . HB* rr_1edp 1
130 3 . 1 . 1 1 13 13 TYR H H . . . . 13 . HN rr_1edp 1
130 3 . 2 . 1 1 17 17 LEU HB3 H . . . . 17 . HB* rr_1edp 1
131 1 . 1 . 1 1 16 16 HIS HD2 H . . . . 16 . HD2 rr_1edp 1
131 1 . 2 . 1 1 17 17 LEU H H . . . . 17 . HN rr_1edp 1
132 2 . 1 . 1 1 2 2 SER HA H . . . . 2 . HA rr_1edp 1
132 2 . 2 . 1 1 6 6 LEU MD1 H . . . . 6 . HD* rr_1edp 1
132 3 . 1 . 1 1 2 2 SER HA H . . . . 2 . HA rr_1edp 1
132 3 . 2 . 1 1 6 6 LEU MD2 H . . . . 6 . HD* rr_1edp 1
133 2 . 1 . 1 1 2 2 SER HA H . . . . 2 . HA rr_1edp 1
133 2 . 2 . 1 1 16 16 HIS HB2 H . . . . 16 . HB* rr_1edp 1
133 3 . 1 . 1 1 2 2 SER HA H . . . . 2 . HA rr_1edp 1
133 3 . 2 . 1 1 16 16 HIS HB3 H . . . . 16 . HB* rr_1edp 1
134 1 . 1 . 1 1 2 2 SER HA H . . . . 2 . HA rr_1edp 1
134 1 . 2 . 1 1 16 16 HIS HD2 H . . . . 16 . HD2 rr_1edp 1
135 2 . 1 . 1 1 2 2 SER HA H . . . . 2 . HA rr_1edp 1
135 2 . 2 . 1 1 15 15 CYS HB2 H . . . . 15 . HB* rr_1edp 1
135 3 . 1 . 1 1 2 2 SER HA H . . . . 2 . HA rr_1edp 1
135 3 . 2 . 1 1 15 15 CYS HB3 H . . . . 15 . HB* rr_1edp 1
136 2 . 1 . 1 1 2 2 SER HB2 H . . . . 2 . HB* rr_1edp 1
136 2 . 2 . 1 1 4 4 SER H H . . . . 4 . HN rr_1edp 1
136 3 . 1 . 1 1 2 2 SER HB3 H . . . . 2 . HB* rr_1edp 1
136 3 . 2 . 1 1 4 4 SER H H . . . . 4 . HN rr_1edp 1
137 1 . 1 . 1 1 3 3 CYS H H . . . . 3 . HN rr_1edp 1
137 1 . 2 . 1 1 16 16 HIS HD2 H . . . . 16 . HD2 rr_1edp 1
138 1 . 1 . 1 1 3 3 CYS H H . . . . 3 . HN rr_1edp 1
138 1 . 2 . 1 1 12 12 VAL MG2 H . . . . 12 . HG2* rr_1edp 1
139 2 . 1 . 1 1 5 5 SER HA H . . . . 5 . HA rr_1edp 1
139 2 . 2 . 1 1 6 6 LEU MD1 H . . . . 6 . HD* rr_1edp 1
139 3 . 1 . 1 1 5 5 SER HA H . . . . 5 . HA rr_1edp 1
139 3 . 2 . 1 1 6 6 LEU MD2 H . . . . 6 . HD* rr_1edp 1
140 2 . 1 . 1 1 5 5 SER H H . . . . 5 . HN rr_1edp 1
140 2 . 2 . 1 1 11 11 CYS HB2 H . . . . 11 . HB* rr_1edp 1
140 3 . 1 . 1 1 5 5 SER H H . . . . 5 . HN rr_1edp 1
140 3 . 2 . 1 1 11 11 CYS HB3 H . . . . 11 . HB* rr_1edp 1
141 1 . 1 . 1 1 13 13 TYR HA H . . . . 13 . HA rr_1edp 1
141 1 . 2 . 1 1 16 16 HIS HD2 H . . . . 16 . HD2 rr_1edp 1
142 2 . 1 . 1 1 16 16 HIS H H . . . . 16 . HN rr_1edp 1
142 2 . 2 . 1 1 17 17 LEU HB2 H . . . . 17 . HB* rr_1edp 1
142 3 . 1 . 1 1 16 16 HIS H H . . . . 16 . HN rr_1edp 1
142 3 . 2 . 1 1 17 17 LEU HB3 H . . . . 17 . HB* rr_1edp 1
143 1 . 1 . 1 1 13 13 TYR QD H . . . . 13 . HD* rr_1edp 1
143 1 . 2 . 1 1 13 13 TYR HA H . . . . 13 . HA rr_1edp 1
144 1 . 1 . 1 1 13 13 TYR QD H . . . . 13 . HD* rr_1edp 1
144 1 . 2 . 1 1 13 13 TYR H H . . . . 13 . HN rr_1edp 1
145 2 . 1 . 1 1 13 13 TYR QD H . . . . 13 . HD* rr_1edp 1
145 2 . 2 . 1 1 13 13 TYR HB2 H . . . . 13 . HB* rr_1edp 1
145 3 . 1 . 1 1 13 13 TYR QD H . . . . 13 . HD* rr_1edp 1
145 3 . 2 . 1 1 13 13 TYR HB3 H . . . . 13 . HB* rr_1edp 1
146 1 . 1 . 1 1 14 14 PHE QD H . . . . 14 . HD* rr_1edp 1
146 1 . 2 . 1 1 14 14 PHE H H . . . . 14 . HN rr_1edp 1
147 1 . 1 . 1 1 14 14 PHE QD H . . . . 14 . HD* rr_1edp 1
147 1 . 2 . 1 1 14 14 PHE HA H . . . . 14 . HA rr_1edp 1
148 2 . 1 . 1 1 14 14 PHE QD H . . . . 14 . HD* rr_1edp 1
148 2 . 2 . 1 1 14 14 PHE HB2 H . . . . 14 . HB* rr_1edp 1
148 3 . 1 . 1 1 14 14 PHE QD H . . . . 14 . HD* rr_1edp 1
148 3 . 2 . 1 1 14 14 PHE HB3 H . . . . 14 . HB* rr_1edp 1
149 1 . 1 . 1 1 14 14 PHE QD H . . . . 14 . HD* rr_1edp 1
149 1 . 2 . 1 1 11 11 CYS HA H . . . . 11 . HA rr_1edp 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Spectral_peak_list_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . 2.78 2.49 2.93 rr_1edp 1
2 1 . . . . . . 2.83 2.68 3.03 rr_1edp 1
3 1 . . . . . . 2.88 2.70 3.04 rr_1edp 1
4 1 . . . . . . 2.95 2.75 3.19 rr_1edp 1
5 1 . . . . . . 2.84 2.66 3.04 rr_1edp 1
6 1 . . . . . . 3.35 3.10 3.63 rr_1edp 1
7 1 . . . . . . 3.50 3.25 3.80 rr_1edp 1
8 1 . . . . . . 2.50 2.38 2.75 rr_1edp 1
9 1 . . . . . . 3.25 2.85 3.70 rr_1edp 1
10 1 . . . . . . 4.30 3.55 9.40 rr_1edp 1
11 1 . . . . . . 4.10 3.50 4.90 rr_1edp 1
12 2 . . . . . . 4.20 3.00 7.30 rr_1edp 1
12 3 . . . . . . 4.20 3.00 7.30 rr_1edp 1
13 2 . . . . . . 3.30 2.90 3.65 rr_1edp 1
13 3 . . . . . . 3.30 2.90 3.65 rr_1edp 1
14 2 . . . . . . 3.80 3.30 12.80 rr_1edp 1
14 3 . . . . . . 3.80 3.30 12.80 rr_1edp 1
15 2 . . . . . . 3.80 3.30 12.80 rr_1edp 1
15 3 . . . . . . 3.80 3.30 12.80 rr_1edp 1
16 2 . . . . . . 3.60 3.25 12.60 rr_1edp 1
16 3 . . . . . . 3.60 3.25 12.60 rr_1edp 1
17 2 . . . . . . 3.60 3.25 12.60 rr_1edp 1
17 3 . . . . . . 3.60 3.25 12.60 rr_1edp 1
18 2 . . . . . . 3.80 3.30 9.80 rr_1edp 1
18 3 . . . . . . 3.80 3.30 9.80 rr_1edp 1
19 2 . . . . . . 4.05 3.60 13.05 rr_1edp 1
19 3 . . . . . . 4.05 3.60 13.05 rr_1edp 1
20 1 . . . . . . 2.20 2.00 2.56 rr_1edp 1
21 1 . . . . . . 3.50 3.28 3.75 rr_1edp 1
22 1 . . . . . . 3.02 2.80 3.10 rr_1edp 1
23 1 . . . . . . 2.95 2.70 3.60 rr_1edp 1
24 1 . . . . . . 3.52 3.23 3.82 rr_1edp 1
25 1 . . . . . . 4.00 3.62 7.10 rr_1edp 1
26 2 . . . . . . 3.60 3.30 6.70 rr_1edp 1
26 3 . . . . . . 3.60 3.30 6.70 rr_1edp 1
27 2 . . . . . . 2.60 2.15 3.00 rr_1edp 1
27 3 . . . . . . 2.60 2.15 3.00 rr_1edp 1
28 1 . . . . . . 2.82 2.59 3.16 rr_1edp 1
29 1 . . . . . . 3.45 3.35 4.40 rr_1edp 1
30 2 . . . . . . 3.35 3.05 4.20 rr_1edp 1
30 3 . . . . . . 3.35 3.05 4.20 rr_1edp 1
31 1 . . . . . . 3.15 3.00 3.80 rr_1edp 1
32 1 . . . . . . 3.45 3.30 3.80 rr_1edp 1
33 1 . . . . . . 2.75 2.45 3.00 rr_1edp 1
34 1 . . . . . . 3.55 3.40 3.75 rr_1edp 1
35 1 . . . . . . 2.60 2.31 2.90 rr_1edp 1
36 1 . . . . . . 2.85 2.55 3.05 rr_1edp 1
37 1 . . . . . . 3.40 3.20 3.70 rr_1edp 1
38 1 . . . . . . 3.50 3.25 3.75 rr_1edp 1
39 1 . . . . . . 2.80 2.50 3.05 rr_1edp 1
40 2 . . . . . . 3.80 3.40 6.35 rr_1edp 1
40 3 . . . . . . 3.80 3.40 6.35 rr_1edp 1
41 2 . . . . . . 3.35 3.07 6.55 rr_1edp 1
41 3 . . . . . . 3.35 3.07 6.55 rr_1edp 1
42 1 . . . . . . 3.60 3.40 4.35 rr_1edp 1
43 1 . . . . . . 2.95 2.67 3.40 rr_1edp 1
44 1 . . . . . . 3.35 3.00 3.60 rr_1edp 1
45 1 . . . . . . 4.20 3.65 5.50 rr_1edp 1
46 1 . . . . . . 3.90 3.55 5.10 rr_1edp 1
47 2 . . . . . . 2.68 2.40 3.06 rr_1edp 1
47 3 . . . . . . 2.68 2.40 3.06 rr_1edp 1
48 2 . . . . . . 3.00 2.40 3.50 rr_1edp 1
48 3 . . . . . . 3.00 2.40 3.50 rr_1edp 1
49 1 . . . . . . 3.25 2.90 3.75 rr_1edp 1
50 1 . . . . . . 4.05 3.40 5.30 rr_1edp 1
51 1 . . . . . . 3.40 3.15 4.80 rr_1edp 1
52 2 . . . . . . 3.80 3.40 8.80 rr_1edp 1
52 3 . . . . . . 3.80 3.40 8.80 rr_1edp 1
53 1 . . . . . . 4.00 3.40 7.10 rr_1edp 1
54 1 . . . . . . 4.00 3.55 8.10 rr_1edp 1
55 1 . . . . . . 4.00 3.35 7.10 rr_1edp 1
56 1 . . . . . . 4.00 3.35 7.10 rr_1edp 1
57 1 . . . . . . 3.60 3.35 3.88 rr_1edp 1
58 2 . . . . . . 3.00 2.30 3.20 rr_1edp 1
58 3 . . . . . . 3.00 2.30 3.20 rr_1edp 1
59 2 . . . . . . 2.80 2.10 3.00 rr_1edp 1
59 3 . . . . . . 2.80 2.10 3.00 rr_1edp 1
60 1 . . . . . . 3.50 3.10 4.25 rr_1edp 1
61 1 . . . . . . 3.25 2.95 3.58 rr_1edp 1
62 1 . . . . . . 3.20 3.00 3.47 rr_1edp 1
63 1 . . . . . . 3.15 2.80 3.45 rr_1edp 1
64 1 . . . . . . 2.90 2.60 3.15 rr_1edp 1
65 2 . . . . . . 3.49 3.24 5.04 rr_1edp 1
65 3 . . . . . . 3.49 3.24 5.04 rr_1edp 1
66 2 . . . . . . 2.80 2.50 3.45 rr_1edp 1
66 3 . . . . . . 2.80 2.50 3.45 rr_1edp 1
67 2 . . . . . . 3.40 3.10 4.00 rr_1edp 1
67 3 . . . . . . 3.40 3.10 4.00 rr_1edp 1
68 1 . . . . . . 2.75 2.55 3.40 rr_1edp 1
69 1 . . . . . . 4.00 3.70 9.10 rr_1edp 1
70 1 . . . . . . 3.80 3.45 8.90 rr_1edp 1
71 1 . . . . . . 2.75 2.53 3.25 rr_1edp 1
72 1 . . . . . . 4.00 3.65 9.00 rr_1edp 1
73 1 . . . . . . 4.00 3.65 9.10 rr_1edp 1
74 1 . . . . . . 2.65 2.40 2.85 rr_1edp 1
75 1 . . . . . . 2.78 2.53 3.43 rr_1edp 1
76 1 . . . . . . 2.42 2.17 2.87 rr_1edp 1
77 1 . . . . . . 3.80 3.50 9.80 rr_1edp 1
78 1 . . . . . . 3.20 2.90 3.65 rr_1edp 1
79 1 . . . . . . 3.45 3.00 4.25 rr_1edp 1
80 1 . . . . . . 4.00 3.40 10.00 rr_1edp 1
81 1 . . . . . . 3.00 2.70 6.10 rr_1edp 1
82 1 . . . . . . 4.00 3.20 7.10 rr_1edp 1
83 2 . . . . . . 4.00 2.90 13.00 rr_1edp 1
83 3 . . . . . . 4.00 2.90 13.00 rr_1edp 1
83 4 . . . . . . 4.00 2.90 13.00 rr_1edp 1
83 5 . . . . . . 4.00 2.90 13.00 rr_1edp 1
84 2 . . . . . . 4.00 2.90 13.00 rr_1edp 1
84 3 . . . . . . 4.00 2.90 13.00 rr_1edp 1
85 2 . . . . . . 4.00 2.80 13.00 rr_1edp 1
85 3 . . . . . . 4.00 2.80 13.00 rr_1edp 1
86 2 . . . . . . 4.00 2.80 13.00 rr_1edp 1
86 3 . . . . . . 4.00 2.80 13.00 rr_1edp 1
87 2 . . . . . . 4.00 3.05 10.00 rr_1edp 1
87 3 . . . . . . 4.00 3.05 10.00 rr_1edp 1
88 1 . . . . . . 4.00 3.40 13.00 rr_1edp 1
89 1 . . . . . . 4.00 2.85 13.00 rr_1edp 1
90 1 . . . . . . 4.00 2.80 13.00 rr_1edp 1
91 1 . . . . . . 4.00 2.80 13.00 rr_1edp 1
92 2 . . . . . . 4.00 3.00 13.00 rr_1edp 1
92 3 . . . . . . 4.00 3.00 13.00 rr_1edp 1
93 2 . . . . . . 4.00 3.00 13.00 rr_1edp 1
93 3 . . . . . . 4.00 3.00 13.00 rr_1edp 1
94 1 . . . . . . 4.00 3.10 13.00 rr_1edp 1
95 2 . . . . . . 4.00 3.00 13.00 rr_1edp 1
95 3 . . . . . . 4.00 3.00 13.00 rr_1edp 1
96 2 . . . . . . 4.00 3.00 13.00 rr_1edp 1
96 3 . . . . . . 4.00 3.00 13.00 rr_1edp 1
97 1 . . . . . . 4.00 3.00 13.00 rr_1edp 1
98 1 . . . . . . 4.00 3.00 13.00 rr_1edp 1
99 2 . . . . . . 3.90 2.85 7.00 rr_1edp 1
99 3 . . . . . . 3.90 2.85 7.00 rr_1edp 1
100 2 . . . . . . 3.20 3.00 8.20 rr_1edp 1
100 3 . . . . . . 3.20 3.00 8.20 rr_1edp 1
101 2 . . . . . . 3.25 3.05 8.25 rr_1edp 1
101 3 . . . . . . 3.25 3.05 8.25 rr_1edp 1
102 2 . . . . . . 3.30 2.85 6.40 rr_1edp 1
102 3 . . . . . . 3.30 2.85 6.40 rr_1edp 1
103 2 . . . . . . 3.30 3.10 3.90 rr_1edp 1
103 3 . . . . . . 3.30 3.10 3.90 rr_1edp 1
104 2 . . . . . . 3.80 3.15 4.45 rr_1edp 1
104 3 . . . . . . 3.80 3.15 4.45 rr_1edp 1
105 1 . . . . . . 2.40 2.10 2.75 rr_1edp 1
106 2 . . . . . . 2.60 2.25 2.85 rr_1edp 1
106 3 . . . . . . 2.60 2.25 2.85 rr_1edp 1
107 2 . . . . . . 4.00 3.72 7.10 rr_1edp 1
107 3 . . . . . . 4.00 3.72 7.10 rr_1edp 1
108 2 . . . . . . 2.45 2.15 2.70 rr_1edp 1
108 3 . . . . . . 2.45 2.15 2.70 rr_1edp 1
109 2 . . . . . . 3.60 3.10 4.20 rr_1edp 1
109 3 . . . . . . 3.60 3.10 4.20 rr_1edp 1
110 1 . . . . . . 4.00 3.15 7.10 rr_1edp 1
111 1 . . . . . . 3.80 3.45 6.90 rr_1edp 1
112 2 . . . . . . 3.10 2.90 3.75 rr_1edp 1
112 3 . . . . . . 3.10 2.90 3.75 rr_1edp 1
113 2 . . . . . . 2.50 2.25 2.95 rr_1edp 1
113 3 . . . . . . 2.50 2.25 2.95 rr_1edp 1
114 1 . . . . . . 4.00 3.50 8.00 rr_1edp 1
115 1 . . . . . . 3.50 3.30 4.40 rr_1edp 1
116 1 . . . . . . 4.00 3.65 9.10 rr_1edp 1
117 1 . . . . . . 4.00 3.65 9.60 rr_1edp 1
118 1 . . . . . . 3.80 3.45 8.90 rr_1edp 1
119 1 . . . . . . 3.65 3.35 6.75 rr_1edp 1
120 1 . . . . . . 3.40 2.60 8.50 rr_1edp 1
121 1 . . . . . . 3.65 3.25 4.20 rr_1edp 1
122 2 . . . . . . 3.45 2.90 4.10 rr_1edp 1
122 3 . . . . . . 3.45 2.90 4.10 rr_1edp 1
123 2 . . . . . . 3.50 2.90 5.10 rr_1edp 1
123 3 . . . . . . 3.50 2.90 5.10 rr_1edp 1
124 1 . . . . . . 4.00 3.25 9.10 rr_1edp 1
125 2 . . . . . . 3.60 3.10 6.70 rr_1edp 1
125 3 . . . . . . 3.60 3.10 6.70 rr_1edp 1
126 1 . . . . . . 3.50 3.15 9.50 rr_1edp 1
127 1 . . . . . . 3.50 3.00 9.50 rr_1edp 1
128 2 . . . . . . 3.50 2.90 9.50 rr_1edp 1
128 3 . . . . . . 3.50 2.90 9.50 rr_1edp 1
129 1 . . . . . . 4.00 3.25 10.00 rr_1edp 1
130 2 . . . . . . 4.00 3.45 13.00 rr_1edp 1
130 3 . . . . . . 4.00 3.45 13.00 rr_1edp 1
131 1 . . . . . . 4.00 3.10 13.00 rr_1edp 1
132 2 . . . . . . 4.00 2.90 7.10 rr_1edp 1
132 3 . . . . . . 4.00 2.90 7.10 rr_1edp 1
133 2 . . . . . . 4.00 3.25 13.00 rr_1edp 1
133 3 . . . . . . 4.00 3.25 13.00 rr_1edp 1
134 1 . . . . . . 4.00 3.10 13.00 rr_1edp 1
135 2 . . . . . . 4.00 3.10 13.00 rr_1edp 1
135 3 . . . . . . 4.00 3.10 13.00 rr_1edp 1
136 2 . . . . . . 4.00 2.85 10.00 rr_1edp 1
136 3 . . . . . . 4.00 2.85 10.00 rr_1edp 1
137 1 . . . . . . 4.00 3.20 13.00 rr_1edp 1
138 1 . . . . . . 4.00 3.30 13.00 rr_1edp 1
139 2 . . . . . . 4.00 3.05 10.00 rr_1edp 1
139 3 . . . . . . 4.00 3.05 10.00 rr_1edp 1
140 2 . . . . . . 4.00 3.15 13.00 rr_1edp 1
140 3 . . . . . . 4.00 3.15 13.00 rr_1edp 1
141 1 . . . . . . 4.00 3.15 10.00 rr_1edp 1
142 2 . . . . . . 3.70 3.35 4.60 rr_1edp 1
142 3 . . . . . . 3.70 3.35 4.60 rr_1edp 1
143 1 . . . . . . 2.70 2.45 3.25 rr_1edp 1
144 1 . . . . . . 3.10 2.65 3.55 rr_1edp 1
145 2 . . . . . . 2.55 2.20 3.00 rr_1edp 1
145 3 . . . . . . 2.55 2.20 3.00 rr_1edp 1
146 1 . . . . . . 3.00 2.65 3.45 rr_1edp 1
147 1 . . . . . . 2.70 2.45 3.25 rr_1edp 1
148 2 . . . . . . 2.40 2.15 3.08 rr_1edp 1
148 3 . . . . . . 2.40 2.15 3.08 rr_1edp 1
149 1 . . . . . . 3.90 3.55 4.80 rr_1edp 1
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1
;NOE classification: KEY
key noe constraints (108 entries)
distance constraints are XPLOR format
TABLE OF INTERPROTON DISTANCES
lst value is equ. value, 2nd value is error on - side
3rd value is error on + side
;
1 1 6 39 rr_1edp 1
2
;echo=false
wrnlev=0
;
7 1 8 16 rr_1edp 1
3 short.tbl 39 1 39 20 rr_1edp 1
4 keyMe.tbl 79 1 79 20 rr_1edp 1
5 keylb.tbl 93 1 93 20 rr_1edp 1
6 long 118 1 118 15 rr_1edp 1
7
;end of key noe distance constraints
NOE classification: SECONDRAY
other less well-determined sequential connectivities
;
121 1 125 63 rr_1edp 1
8 "only distinct at pH = 5.8" 133 1 133 36 rr_1edp 1
9 Me.tbl 135 1 135 20 rr_1edp 1
10 "was shor4fsl.tbl now otherlb" 148 1 148 41 rr_1edp 1
11 cterm1.tbl 169 1 169 21 rr_1edp 1
12
;short2 .tbl
aryl side chain, etc. that could have motion problems
;
185 1 186 64 rr_1edp 1
stop_
loop_
_Dist_constraint_conv_err.ID
_Dist_constraint_conv_err.Dist_constraint_parse_file_ID
_Dist_constraint_conv_err.Parse_file_constraint_ID
_Dist_constraint_conv_err.Conv_error_type
_Dist_constraint_conv_err.Conv_error_note
_Dist_constraint_conv_err.Entry_ID
_Dist_constraint_conv_err.Distance_constraint_list_ID
1 2 42 1 "Not handling restraint 42, item 1, resonance(s) ' .19.HB' (nmrStar names) not linked" rr_1edp 1
2 2 57 1 "Not handling restraint 57, item 1, resonance(s) ' .18.HB*' (nmrStar names) not linked" rr_1edp 1
3 2 60 1 "Not handling restraint 60, item 1, resonance(s) ' .18.HN' (nmrStar names) not linked" rr_1edp 1
4 2 98 1 "Not handling restraint 98, item 1, resonance(s) ' .18.HB*' (nmrStar names) not linked" rr_1edp 1
5 2 145 1 "Not handling restraint 145, item 1, resonance(s) ' .18.HN' (nmrStar names) not linked" rr_1edp 1
6 2 147 1 "Not handling restraint 147, item 1, resonance(s) ' .19.HN' (nmrStar names) not linked" rr_1edp 1
7 2 148 1 "Not handling restraint 148, item 1, resonance(s) ' .19.HN' (nmrStar names) not linked" rr_1edp 1
8 2 149 1 "Not handling restraint 149, item 1, resonance(s) ' .19.HN' (nmrStar names),' .18.HA' (nmrStar names) not linked" rr_1edp 1
9 2 150 1 "Not handling restraint 150, item 1, resonance(s) ' .19.HA' (nmrStar names),' .20.HN' (nmrStar names) not linked" rr_1edp 1
10 2 151 1 "Not handling restraint 151, item 1, resonance(s) ' .20.HA' (nmrStar names),' .21.HN' (nmrStar names) not linked" rr_1edp 1
11 2 152 1 "Not handling restraint 152, item 1, resonance(s) ' .18.HB*' (nmrStar names) not linked" rr_1edp 1
12 2 153 1 "Not handling restraint 153, item 1, resonance(s) ' .19.HD*' (nmrStar names) not linked" rr_1edp 1
13 2 154 1 "Not handling restraint 154, item 1, resonance(s) ' .18.HB*' (nmrStar names) not linked" rr_1edp 1
14 2 155 1 "Not handling restraint 155, item 1, resonance(s) ' .18.HN' (nmrStar names),' .19.HN' (nmrStar names) not linked" rr_1edp 1
15 2 156 1 "Not handling restraint 156, item 1, resonance(s) ' .19.HN' (nmrStar names),' .20.HN' (nmrStar names) not linked" rr_1edp 1
16 2 157 1 "Not handling restraint 157, item 1, resonance(s) ' .18.HN' (nmrStar names) not linked" rr_1edp 1
17 2 158 1 "Not handling restraint 158, item 1, resonance(s) ' .18.HB*' (nmrStar names),' .19.HN' (nmrStar names) not linked" rr_1edp 1
18 2 159 1 "Not handling restraint 159, item 1, resonance(s) ' .20.HN' (nmrStar names),' .21.HN' (nmrStar names) not linked" rr_1edp 1
19 2 160 1 "Not handling restraint 160, item 1, resonance(s) ' .21.HN' (nmrStar names),' .20.HB' (nmrStar names) not linked" rr_1edp 1
20 2 161 1 "Not handling restraint 161, item 1, resonance(s) ' .18.HN' (nmrStar names) not linked" rr_1edp 1
21 2 161 1 "Not handling restraint 161, item 1, resonance(s) ' .18.HN' (nmrStar names) not linked" rr_1edp 1
22 2 163 1 "Not handling restraint 163, item 1, resonance(s) ' .18.HN' (nmrStar names) not linked" rr_1edp 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_1edp
_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 VASOCONSTRICTOR 16-DEC-91 1EDP *COMPND ENDOTHELIN 1 (ET 1) (NMR, MINIMIZED BEST STRUCTURE) *SOURCE SYNTHETIC *AUTHOR N.H.ANDERSEN,C.CHEN *REVDAT 1 31-OCT-93 1EDP 0 THE CONSTRAINTS USED IN THE FINAL CONFORMER SEARCH PROTOCOL"
save_
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_1edp
_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
;set echo=true end
set wrnlev=5 end
;
save_
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