NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype |
|
|
366031 |
3znf   |
cing | 3-converted-DOCR | STAR | entry | full |
data_DOCR_restraints_with_modified_coordinates_PDB_code_3znf
# This DOCR archive file contains, for PDB entry <3znf>:
#
# - 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_3znf
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 3znf"
_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 3znf"
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_3znf
_Assembly.ID 1
_Assembly.Name 3znf
_Assembly.Number_of_components 2
_Assembly.Organic_ligands 0
_Assembly.Metal_ions 1
_Assembly.Non_standard_bonds no
_Assembly.Paramagnetic no
_Assembly.Thiol_state "all free"
_Assembly.Molecular_mass 3629.5748
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 "ZINC FINGER" 1 $ZINC_FINGER A . no . . . . . . rr_3znf 1
2 "ZINC ION" 2 $ZINC_ION B . no . . . . . . rr_3znf 1
stop_
save_
save_ZINC_FINGER
_Entity.Sf_category entity
_Entity.Sf_framecode ZINC_FINGER
_Entity.Entry_ID rr_3znf
_Entity.ID 1
_Entity.Name ZINC_FINGER
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code
;RPYHCSYCNFSFKTKGNLTK
HMKSKAHSKK
;
_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 30
_Entity.Paramagnetic no
_Entity.Thiol_state "all free"
_Entity.Parent_entity_ID 1
_Entity.Formula_weight 3564.1948
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 . ARG . rr_3znf 1
2 . PRO . rr_3znf 1
3 . TYR . rr_3znf 1
4 . HIS . rr_3znf 1
5 . CYS . rr_3znf 1
6 . SER . rr_3znf 1
7 . TYR . rr_3znf 1
8 . CYS . rr_3znf 1
9 . ASN . rr_3znf 1
10 . PHE . rr_3znf 1
11 . SER . rr_3znf 1
12 . PHE . rr_3znf 1
13 . LYS . rr_3znf 1
14 . THR . rr_3znf 1
15 . LYS . rr_3znf 1
16 . GLY . rr_3znf 1
17 . ASN . rr_3znf 1
18 . LEU . rr_3znf 1
19 . THR . rr_3znf 1
20 . LYS . rr_3znf 1
21 . HIS . rr_3znf 1
22 . MET . rr_3znf 1
23 . LYS . rr_3znf 1
24 . SER . rr_3znf 1
25 . LYS . rr_3znf 1
26 . ALA . rr_3znf 1
27 . HIS . rr_3znf 1
28 . SER . rr_3znf 1
29 . LYS . rr_3znf 1
30 . LYS . rr_3znf 1
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. ARG 1 1 rr_3znf 1
. PRO 2 2 rr_3znf 1
. TYR 3 3 rr_3znf 1
. HIS 4 4 rr_3znf 1
. CYS 5 5 rr_3znf 1
. SER 6 6 rr_3znf 1
. TYR 7 7 rr_3znf 1
. CYS 8 8 rr_3znf 1
. ASN 9 9 rr_3znf 1
. PHE 10 10 rr_3znf 1
. SER 11 11 rr_3znf 1
. PHE 12 12 rr_3znf 1
. LYS 13 13 rr_3znf 1
. THR 14 14 rr_3znf 1
. LYS 15 15 rr_3znf 1
. GLY 16 16 rr_3znf 1
. ASN 17 17 rr_3znf 1
. LEU 18 18 rr_3znf 1
. THR 19 19 rr_3znf 1
. LYS 20 20 rr_3znf 1
. HIS 21 21 rr_3znf 1
. MET 22 22 rr_3znf 1
. LYS 23 23 rr_3znf 1
. SER 24 24 rr_3znf 1
. LYS 25 25 rr_3znf 1
. ALA 26 26 rr_3znf 1
. HIS 27 27 rr_3znf 1
. SER 28 28 rr_3znf 1
. LYS 29 29 rr_3znf 1
. LYS 30 30 rr_3znf 1
stop_
save_
save_ZINC_ION
_Entity.Sf_category entity
_Entity.Sf_framecode ZINC_ION
_Entity.Entry_ID rr_3znf
_Entity.ID 2
_Entity.Name ZINC_ION
_Entity.Type non-polymer
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_chirality yes
_Entity.Nstd_linkage no
_Entity.Nonpolymer_comp_ID ZN
_Entity.Nonpolymer_comp_label $chem_comp_ZN
_Entity.Number_of_monomers 1
_Entity.Paramagnetic no
_Entity.Thiol_state "not present"
_Entity.Parent_entity_ID 2
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 . ZN . rr_3znf 2
stop_
save_
save_chem_comp_ZN
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_ZN
_Chem_comp.Entry_ID rr_3znf
_Chem_comp.ID ZN
_Chem_comp.Name "ZINC ION"
_Chem_comp.Type non-polymer
_Chem_comp.PDB_code ZN
_Chem_comp.Formal_charge 2
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula Zn
_Chem_comp.Formula_weight 65.38
save_
save_conformer_statistics
_Conformer_stat_list.Sf_category conformer_statistics
_Conformer_stat_list.Sf_framecode conformer_statistics
_Conformer_stat_list.Entry_ID rr_3znf
_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_3znf
_Conformer_family_coord_set.ID 1
loop_
_Conformer_family_refinement.Refine_method
_Conformer_family_refinement.Refine_details
_Conformer_family_refinement.Entry_ID
_Conformer_family_refinement.Conformer_family_coord_set_ID
1 . rr_3znf 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_3znf 1
stop_
loop_
_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_atom_name
_Atom_site.PDB_ins_code
_Atom_site.PDB_model_num
_Atom_site.PDB_residue_name
_Atom_site.PDB_residue_no
_Atom_site.PDB_strand_id
_Atom_site.Auth_asym_ID
_Atom_site.Auth_chain_ID
_Atom_site.Auth_entity_assembly_ID
_Atom_site.Auth_seq_ID
_Atom_site.Auth_comp_ID
_Atom_site.Auth_atom_ID
_Atom_site.Auth_atom_name
_Atom_site.Details
_Atom_site.Entry_ID
_Atom_site.Conformer_family_coord_set_ID
1 . 1 . 1 1 1 ARG C C 7.960 5.964 -3.907 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 ARG C . . rr_3znf 1
1 . 2 . 1 1 1 ARG CA C 9.087 6.276 -2.892 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 ARG CA . . rr_3znf 1
1 . 3 . 1 1 1 ARG CB C 9.251 5.082 -1.939 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 ARG CB . . rr_3znf 1
1 . 4 . 1 1 1 ARG CD C 11.160 6.168 -0.749 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 ARG CD . . rr_3znf 1
1 . 5 . 1 1 1 ARG CG C 10.726 4.934 -1.543 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 ARG CG . . rr_3znf 1
1 . 6 . 1 1 1 ARG CZ C 12.967 6.355 0.843 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 ARG CZ . . rr_3znf 1
1 . 7 . 1 1 1 ARG H1 H 7.947 7.995 -2.609 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 ARG H1 . . rr_3znf 1
1 . 8 . 1 1 1 ARG H2 H 8.410 7.225 -1.167 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 ARG H2 . . rr_3znf 1
1 . 9 . 1 1 1 ARG H3 H 9.546 8.126 -2.052 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 ARG H3 . . rr_3znf 1
1 . 10 . 1 1 1 ARG HA H 10.007 6.461 -3.404 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 ARG HA . . rr_3znf 1
1 . 11 . 1 1 1 ARG HB2 H 8.657 5.248 -1.054 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 ARG HB2 . . rr_3znf 1
1 . 12 . 1 1 1 ARG HB3 H 8.912 4.179 -2.424 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 ARG HB3 . . rr_3znf 1
1 . 13 . 1 1 1 ARG HD2 H 11.046 7.054 -1.355 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 ARG HD2 . . rr_3znf 1
1 . 14 . 1 1 1 ARG HD3 H 10.555 6.263 0.141 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 ARG HD3 . . rr_3znf 1
1 . 15 . 1 1 1 ARG HE H 13.243 5.665 -1.001 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 ARG HE . . rr_3znf 1
1 . 16 . 1 1 1 ARG HG2 H 10.848 4.051 -0.933 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 ARG HG2 . . rr_3znf 1
1 . 17 . 1 1 1 ARG HG3 H 11.337 4.836 -2.429 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 ARG HG3 . . rr_3znf 1
1 . 18 . 1 1 1 ARG HH11 H 12.096 4.763 1.689 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 ARG HH11 . . rr_3znf 1
1 . 19 . 1 1 1 ARG HH12 H 12.912 5.837 2.776 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 ARG HH12 . . rr_3znf 1
1 . 20 . 1 1 1 ARG HH21 H 13.904 8.007 0.209 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 ARG HH21 . . rr_3znf 1
1 . 21 . 1 1 1 ARG HH22 H 13.963 7.722 1.917 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 ARG HH22 . . rr_3znf 1
1 . 22 . 1 1 1 ARG N N 8.720 7.498 -2.122 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 ARG N . . rr_3znf 1
1 . 23 . 1 1 1 ARG NE N 12.590 6.016 -0.359 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 ARG NE . . rr_3znf 1
1 . 24 . 1 1 1 ARG NH1 N 12.632 5.592 1.848 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 ARG NH1 . . rr_3znf 1
1 . 25 . 1 1 1 ARG NH2 N 13.666 7.447 1.002 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 ARG NH2 . . rr_3znf 1
1 . 26 . 1 1 1 ARG O O 6.837 6.391 -3.727 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 ARG O . . rr_3znf 1
1 . 27 . 1 1 2 PRO C C 6.164 3.984 -5.369 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 PRO C . . rr_3znf 1
1 . 28 . 1 1 2 PRO CA C 7.270 4.868 -5.977 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 PRO CA . . rr_3znf 1
1 . 29 . 1 1 2 PRO CB C 8.032 4.080 -7.049 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 PRO CB . . rr_3znf 1
1 . 30 . 1 1 2 PRO CD C 9.646 4.746 -5.265 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 PRO CD . . rr_3znf 1
1 . 31 . 1 1 2 PRO CG C 9.498 3.910 -6.548 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 PRO CG . . rr_3znf 1
1 . 32 . 1 1 2 PRO HA H 6.844 5.751 -6.416 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 PRO HA . . rr_3znf 1
1 . 33 . 1 1 2 PRO HB2 H 7.576 3.110 -7.190 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 PRO HB2 . . rr_3znf 1
1 . 34 . 1 1 2 PRO HB3 H 8.022 4.622 -7.983 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 PRO HB3 . . rr_3znf 1
1 . 35 . 1 1 2 PRO HD2 H 10.015 4.139 -4.456 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 PRO HD2 . . rr_3znf 1
1 . 36 . 1 1 2 PRO HD3 H 10.308 5.578 -5.446 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 PRO HD3 . . rr_3znf 1
1 . 37 . 1 1 2 PRO HG2 H 9.696 2.870 -6.336 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 PRO HG2 . . rr_3znf 1
1 . 38 . 1 1 2 PRO HG3 H 10.188 4.264 -7.300 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 PRO HG3 . . rr_3znf 1
1 . 39 . 1 1 2 PRO N N 8.280 5.230 -4.970 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 PRO N . . rr_3znf 1
1 . 40 . 1 1 2 PRO O O 5.327 3.469 -6.084 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 PRO O . . rr_3znf 1
1 . 41 . 1 1 3 TYR C C 4.625 3.617 -2.122 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 TYR C . . rr_3znf 1
1 . 42 . 1 1 3 TYR CA C 5.144 2.968 -3.410 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 TYR CA . . rr_3znf 1
1 . 43 . 1 1 3 TYR CB C 5.762 1.615 -3.072 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 TYR CB . . rr_3znf 1
1 . 44 . 1 1 3 TYR CD1 C 5.073 0.249 -5.075 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 TYR CD1 . . rr_3znf 1
1 . 45 . 1 1 3 TYR CD2 C 7.370 0.814 -4.841 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 TYR CD2 . . rr_3znf 1
1 . 46 . 1 1 3 TYR CE1 C 5.358 -0.424 -6.246 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 TYR CE1 . . rr_3znf 1
1 . 47 . 1 1 3 TYR CE2 C 7.657 0.143 -6.011 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 TYR CE2 . . rr_3znf 1
1 . 48 . 1 1 3 TYR CG C 6.078 0.872 -4.365 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 TYR CG . . rr_3znf 1
1 . 49 . 1 1 3 TYR CZ C 6.652 -0.482 -6.723 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 TYR CZ . . rr_3znf 1
1 . 50 . 1 1 3 TYR H H 6.879 4.257 -3.526 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 TYR H . . rr_3znf 1
1 . 51 . 1 1 3 TYR HA H 4.322 2.820 -4.087 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 TYR HA . . rr_3znf 1
1 . 52 . 1 1 3 TYR HB2 H 6.674 1.757 -2.512 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 TYR HB2 . . rr_3znf 1
1 . 53 . 1 1 3 TYR HB3 H 5.070 1.030 -2.486 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 TYR HB3 . . rr_3znf 1
1 . 54 . 1 1 3 TYR HD1 H 4.054 0.285 -4.709 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 TYR HD1 . . rr_3znf 1
1 . 55 . 1 1 3 TYR HD2 H 8.165 1.301 -4.295 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 TYR HD2 . . rr_3znf 1
1 . 56 . 1 1 3 TYR HE1 H 4.562 -0.903 -6.794 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 TYR HE1 . . rr_3znf 1
1 . 57 . 1 1 3 TYR HE2 H 8.674 0.104 -6.371 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 TYR HE2 . . rr_3znf 1
1 . 58 . 1 1 3 TYR HH H 6.196 -1.039 -8.491 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 TYR HH . . rr_3znf 1
1 . 59 . 1 1 3 TYR N N 6.186 3.826 -4.065 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 TYR N . . rr_3znf 1
1 . 60 . 1 1 3 TYR O O 5.112 3.332 -1.049 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 TYR O . . rr_3znf 1
1 . 61 . 1 1 3 TYR OH O 6.938 -1.154 -7.895 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 TYR OH . . rr_3znf 1
1 . 62 . 1 1 4 HIS C C 1.563 4.809 -0.954 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 HIS C . . rr_3znf 1
1 . 63 . 1 1 4 HIS CA C 3.054 5.150 -1.060 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 HIS CA . . rr_3znf 1
1 . 64 . 1 1 4 HIS CB C 3.218 6.663 -1.197 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 HIS CB . . rr_3znf 1
1 . 65 . 1 1 4 HIS CD2 C 5.842 6.563 -0.956 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 HIS CD2 . . rr_3znf 1
1 . 66 . 1 1 4 HIS CE1 C 6.033 8.124 0.411 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 HIS CE1 . . rr_3znf 1
1 . 67 . 1 1 4 HIS CG C 4.593 7.076 -0.670 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 HIS CG . . rr_3znf 1
1 . 68 . 1 1 4 HIS H H 3.297 4.677 -3.157 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 HIS H . . rr_3znf 1
1 . 69 . 1 1 4 HIS HA H 3.560 4.816 -0.171 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 HIS HA . . rr_3znf 1
1 . 70 . 1 1 4 HIS HB2 H 3.136 6.945 -2.236 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 HIS HB2 . . rr_3znf 1
1 . 71 . 1 1 4 HIS HB3 H 2.452 7.168 -0.629 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 HIS HB3 . . rr_3znf 1
1 . 72 . 1 1 4 HIS HD1 H 4.091 8.558 0.543 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 HIS HD1 . . rr_3znf 1
1 . 73 . 1 1 4 HIS HD2 H 6.040 5.741 -1.625 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 HIS HD2 . . rr_3znf 1
1 . 74 . 1 1 4 HIS HE1 H 6.434 8.852 1.098 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 HIS HE1 . . rr_3znf 1
1 . 75 . 1 1 4 HIS N N 3.644 4.475 -2.263 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 HIS N . . rr_3znf 1
1 . 76 . 1 1 4 HIS ND1 N 4.796 8.001 0.151 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 HIS ND1 . . rr_3znf 1
1 . 77 . 1 1 4 HIS NE2 N 6.779 7.246 -0.254 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 HIS NE2 . . rr_3znf 1
1 . 78 . 1 1 4 HIS O O 0.840 4.891 -1.926 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 HIS O . . rr_3znf 1
1 . 79 . 1 1 5 CYS C C -1.230 5.113 -0.302 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 CYS C . . rr_3znf 1
1 . 80 . 1 1 5 CYS CA C -0.319 4.082 0.382 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 CYS CA . . rr_3znf 1
1 . 81 . 1 1 5 CYS CB C -0.690 4.026 1.864 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 CYS CB . . rr_3znf 1
1 . 82 . 1 1 5 CYS H H 1.754 4.380 0.990 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 CYS H . . rr_3znf 1
1 . 83 . 1 1 5 CYS HA H -0.495 3.115 -0.057 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 CYS HA . . rr_3znf 1
1 . 84 . 1 1 5 CYS HB2 H -0.375 3.068 2.254 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 CYS HB2 . . rr_3znf 1
1 . 85 . 1 1 5 CYS HB3 H -0.138 4.795 2.385 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 CYS HB3 . . rr_3znf 1
1 . 86 . 1 1 5 CYS N N 1.132 4.434 0.221 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 CYS N . . rr_3znf 1
1 . 87 . 1 1 5 CYS O O -0.817 6.213 -0.613 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 CYS O . . rr_3znf 1
1 . 88 . 1 1 5 CYS SG S -2.456 4.251 2.244 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 CYS SG . . rr_3znf 1
1 . 89 . 1 1 6 SER C C -4.189 6.402 -0.046 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 SER C . . rr_3znf 1
1 . 90 . 1 1 6 SER CA C -3.455 5.635 -1.149 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 SER CA . . rr_3znf 1
1 . 91 . 1 1 6 SER CB C -4.459 4.798 -1.946 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 SER CB . . rr_3znf 1
1 . 92 . 1 1 6 SER H H -2.729 3.807 -0.260 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 SER H . . rr_3znf 1
1 . 93 . 1 1 6 SER HA H -2.957 6.322 -1.801 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 SER HA . . rr_3znf 1
1 . 94 . 1 1 6 SER HB2 H -4.683 3.877 -1.428 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 SER HB2 . . rr_3znf 1
1 . 95 . 1 1 6 SER HB3 H -5.365 5.354 -2.132 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 SER HB3 . . rr_3znf 1
1 . 96 . 1 1 6 SER HG H -3.562 3.588 -3.175 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 SER HG . . rr_3znf 1
1 . 97 . 1 1 6 SER N N -2.460 4.714 -0.516 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 SER N . . rr_3znf 1
1 . 98 . 1 1 6 SER O O -5.261 6.936 -0.251 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 SER O . . rr_3znf 1
1 . 99 . 1 1 6 SER OG O -3.788 4.521 -3.166 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 SER OG . . rr_3znf 1
1 . 100 . 1 1 7 TYR C C -3.089 7.427 3.295 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 TYR C . . rr_3znf 1
1 . 101 . 1 1 7 TYR CA C -4.183 7.116 2.276 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 TYR CA . . rr_3znf 1
1 . 102 . 1 1 7 TYR CB C -5.224 6.183 2.905 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 TYR CB . . rr_3znf 1
1 . 103 . 1 1 7 TYR CD1 C -7.458 6.846 1.919 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 TYR CD1 . . rr_3znf 1
1 . 104 . 1 1 7 TYR CD2 C -6.361 4.935 1.024 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 TYR CD2 . . rr_3znf 1
1 . 105 . 1 1 7 TYR CE1 C -8.497 6.663 1.030 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 TYR CE1 . . rr_3znf 1
1 . 106 . 1 1 7 TYR CE2 C -7.396 4.754 0.135 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 TYR CE2 . . rr_3znf 1
1 . 107 . 1 1 7 TYR CG C -6.382 5.983 1.922 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 TYR CG . . rr_3znf 1
1 . 108 . 1 1 7 TYR CZ C -8.474 5.616 0.130 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 TYR CZ . . rr_3znf 1
1 . 109 . 1 1 7 TYR H H -2.687 6.034 1.179 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 TYR H . . rr_3znf 1
1 . 110 . 1 1 7 TYR HA H -4.652 8.022 1.971 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 TYR HA . . rr_3znf 1
1 . 111 . 1 1 7 TYR HB2 H -4.776 5.230 3.121 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 TYR HB2 . . rr_3znf 1
1 . 112 . 1 1 7 TYR HB3 H -5.599 6.614 3.819 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 TYR HB3 . . rr_3znf 1
1 . 113 . 1 1 7 TYR HD1 H -7.488 7.670 2.617 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 TYR HD1 . . rr_3znf 1
1 . 114 . 1 1 7 TYR HD2 H -5.526 4.250 1.020 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 TYR HD2 . . rr_3znf 1
1 . 115 . 1 1 7 TYR HE1 H -9.335 7.345 1.038 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 TYR HE1 . . rr_3znf 1
1 . 116 . 1 1 7 TYR HE2 H -7.351 3.946 -0.577 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 TYR HE2 . . rr_3znf 1
1 . 117 . 1 1 7 TYR HH H -9.847 6.300 -1.007 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 TYR HH . . rr_3znf 1
1 . 118 . 1 1 7 TYR N N -3.572 6.438 1.097 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 TYR N . . rr_3znf 1
1 . 119 . 1 1 7 TYR O O -2.658 8.556 3.426 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 TYR O . . rr_3znf 1
1 . 120 . 1 1 7 TYR OH O -9.512 5.434 -0.760 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 TYR OH . . rr_3znf 1
1 . 121 . 1 1 8 CYS C C -0.344 7.174 4.292 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 CYS C . . rr_3znf 1
1 . 122 . 1 1 8 CYS CA C -1.569 6.633 4.995 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 CYS CA . . rr_3znf 1
1 . 123 . 1 1 8 CYS CB C -1.134 5.307 5.644 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 CYS CB . . rr_3znf 1
1 . 124 . 1 1 8 CYS H H -3.053 5.532 3.869 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 CYS H . . rr_3znf 1
1 . 125 . 1 1 8 CYS HA H -1.893 7.322 5.756 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 CYS HA . . rr_3znf 1
1 . 126 . 1 1 8 CYS HB2 H -0.417 4.840 4.983 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 CYS HB2 . . rr_3znf 1
1 . 127 . 1 1 8 CYS HB3 H -0.613 5.545 6.560 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 CYS HB3 . . rr_3znf 1
1 . 128 . 1 1 8 CYS N N -2.660 6.415 3.995 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 CYS N . . rr_3znf 1
1 . 129 . 1 1 8 CYS O O -0.415 7.695 3.196 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 CYS O . . rr_3znf 1
1 . 130 . 1 1 8 CYS SG S -2.370 4.064 6.046 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 CYS SG . . rr_3znf 1
1 . 131 . 1 1 9 ASN C C 2.977 6.240 4.449 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 ASN C . . rr_3znf 1
1 . 132 . 1 1 9 ASN CA C 2.046 7.443 4.373 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 ASN CA . . rr_3znf 1
1 . 133 . 1 1 9 ASN CB C 2.635 8.605 5.163 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 ASN CB . . rr_3znf 1
1 . 134 . 1 1 9 ASN CG C 3.850 9.145 4.410 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 ASN CG . . rr_3znf 1
1 . 135 . 1 1 9 ASN H H 0.731 6.652 5.864 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 ASN H . . rr_3znf 1
1 . 136 . 1 1 9 ASN HA H 1.909 7.729 3.344 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 ASN HA . . rr_3znf 1
1 . 137 . 1 1 9 ASN HB2 H 1.900 9.390 5.267 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 ASN HB2 . . rr_3znf 1
1 . 138 . 1 1 9 ASN HB3 H 2.940 8.268 6.143 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 ASN HB3 . . rr_3znf 1
1 . 139 . 1 1 9 ASN HD21 H 3.685 7.809 2.941 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 ASN HD21 . . rr_3znf 1
1 . 140 . 1 1 9 ASN HD22 H 4.977 8.906 2.790 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 ASN HD22 . . rr_3znf 1
1 . 141 . 1 1 9 ASN N N 0.756 7.031 4.959 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 ASN N . . rr_3znf 1
1 . 142 . 1 1 9 ASN ND2 N 4.201 8.573 3.287 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 ASN ND2 . . rr_3znf 1
1 . 143 . 1 1 9 ASN O O 4.184 6.371 4.439 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 ASN O . . rr_3znf 1
1 . 144 . 1 1 9 ASN OD1 O 4.490 10.088 4.832 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 ASN OD1 . . rr_3znf 1
1 . 145 . 1 1 10 PHE C C 3.907 3.619 3.312 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 PHE C . . rr_3znf 1
1 . 146 . 1 1 10 PHE CA C 3.168 3.836 4.622 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 PHE CA . . rr_3znf 1
1 . 147 . 1 1 10 PHE CB C 2.227 2.662 4.912 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 PHE CB . . rr_3znf 1
1 . 148 . 1 1 10 PHE CD1 C 3.924 0.795 5.134 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 PHE CD1 . . rr_3znf 1
1 . 149 . 1 1 10 PHE CD2 C 2.706 1.452 7.077 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 PHE CD2 . . rr_3znf 1
1 . 150 . 1 1 10 PHE CE1 C 4.594 -0.155 5.877 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 PHE CE1 . . rr_3znf 1
1 . 151 . 1 1 10 PHE CE2 C 3.379 0.502 7.819 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 PHE CE2 . . rr_3znf 1
1 . 152 . 1 1 10 PHE CG C 2.973 1.606 5.729 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 PHE CG . . rr_3znf 1
1 . 153 . 1 1 10 PHE CZ C 4.321 -0.301 7.218 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 PHE CZ . . rr_3znf 1
1 . 154 . 1 1 10 PHE H H 1.389 5.027 4.494 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 PHE H . . rr_3znf 1
1 . 155 . 1 1 10 PHE HA H 3.880 3.926 5.422 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 PHE HA . . rr_3znf 1
1 . 156 . 1 1 10 PHE HB2 H 1.376 3.011 5.479 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 PHE HB2 . . rr_3znf 1
1 . 157 . 1 1 10 PHE HB3 H 1.879 2.222 3.988 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 PHE HB3 . . rr_3znf 1
1 . 158 . 1 1 10 PHE HD1 H 4.144 0.906 4.083 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 PHE HD1 . . rr_3znf 1
1 . 159 . 1 1 10 PHE HD2 H 1.969 2.082 7.554 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 PHE HD2 . . rr_3znf 1
1 . 160 . 1 1 10 PHE HE1 H 5.335 -0.784 5.406 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 PHE HE1 . . rr_3znf 1
1 . 161 . 1 1 10 PHE HE2 H 3.165 0.387 8.870 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 PHE HE2 . . rr_3znf 1
1 . 162 . 1 1 10 PHE HZ H 4.847 -1.044 7.798 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 PHE HZ . . rr_3znf 1
1 . 163 . 1 1 10 PHE N N 2.370 5.077 4.527 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 PHE N . . rr_3znf 1
1 . 164 . 1 1 10 PHE O O 3.350 3.138 2.355 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 PHE O . . rr_3znf 1
1 . 165 . 1 1 11 SER C C 6.545 2.428 1.997 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 SER C . . rr_3znf 1
1 . 166 . 1 1 11 SER CA C 5.920 3.827 2.038 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 SER CA . . rr_3znf 1
1 . 167 . 1 1 11 SER CB C 7.020 4.882 1.986 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 SER CB . . rr_3znf 1
1 . 168 . 1 1 11 SER H H 5.561 4.394 4.082 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 SER H . . rr_3znf 1
1 . 169 . 1 1 11 SER HA H 5.257 3.956 1.193 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 SER HA . . rr_3znf 1
1 . 170 . 1 1 11 SER HB2 H 6.620 5.835 1.680 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 SER HB2 . . rr_3znf 1
1 . 171 . 1 1 11 SER HB3 H 7.512 4.968 2.941 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 SER HB3 . . rr_3znf 1
1 . 172 . 1 1 11 SER HG H 8.499 5.115 0.747 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 SER HG . . rr_3znf 1
1 . 173 . 1 1 11 SER N N 5.144 3.999 3.287 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 SER N . . rr_3znf 1
1 . 174 . 1 1 11 SER O O 7.362 2.089 2.829 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 SER O . . rr_3znf 1
1 . 175 . 1 1 11 SER OG O 7.925 4.391 1.009 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 SER OG . . rr_3znf 1
1 . 176 . 1 1 12 PHE C C 7.896 0.253 -0.043 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 PHE C . . rr_3znf 1
1 . 177 . 1 1 12 PHE CA C 6.710 0.271 0.926 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 PHE CA . . rr_3znf 1
1 . 178 . 1 1 12 PHE CB C 5.616 -0.670 0.434 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 PHE CB . . rr_3znf 1
1 . 179 . 1 1 12 PHE CD1 C 3.543 0.590 1.124 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 PHE CD1 . . rr_3znf 1
1 . 180 . 1 1 12 PHE CD2 C 4.063 -1.417 2.296 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 PHE CD2 . . rr_3znf 1
1 . 181 . 1 1 12 PHE CE1 C 2.414 0.750 1.905 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 PHE CE1 . . rr_3znf 1
1 . 182 . 1 1 12 PHE CE2 C 2.937 -1.252 3.078 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 PHE CE2 . . rr_3znf 1
1 . 183 . 1 1 12 PHE CG C 4.373 -0.495 1.309 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 PHE CG . . rr_3znf 1
1 . 184 . 1 1 12 PHE CZ C 2.115 -0.167 2.881 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 PHE CZ . . rr_3znf 1
1 . 185 . 1 1 12 PHE H H 5.492 1.967 0.378 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 PHE H . . rr_3znf 1
1 . 186 . 1 1 12 PHE HA H 7.043 -0.053 1.897 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 PHE HA . . rr_3znf 1
1 . 187 . 1 1 12 PHE HB2 H 5.367 -0.437 -0.591 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 PHE HB2 . . rr_3znf 1
1 . 188 . 1 1 12 PHE HB3 H 5.955 -1.691 0.493 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 PHE HB3 . . rr_3znf 1
1 . 189 . 1 1 12 PHE HD1 H 3.797 1.335 0.388 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 PHE HD1 . . rr_3znf 1
1 . 190 . 1 1 12 PHE HD2 H 4.709 -2.263 2.460 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 PHE HD2 . . rr_3znf 1
1 . 191 . 1 1 12 PHE HE1 H 1.753 1.585 1.733 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 PHE HE1 . . rr_3znf 1
1 . 192 . 1 1 12 PHE HE2 H 2.702 -1.975 3.845 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 PHE HE2 . . rr_3znf 1
1 . 193 . 1 1 12 PHE HZ H 1.249 -0.022 3.509 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 PHE HZ . . rr_3znf 1
1 . 194 . 1 1 12 PHE N N 6.150 1.650 1.031 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 PHE N . . rr_3znf 1
1 . 195 . 1 1 12 PHE O O 8.424 1.290 -0.393 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 PHE O . . rr_3znf 1
1 . 196 . 1 1 13 LYS C C 9.015 -1.546 -2.775 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 LYS C . . rr_3znf 1
1 . 197 . 1 1 13 LYS CA C 9.452 -1.042 -1.391 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 LYS CA . . rr_3znf 1
1 . 198 . 1 1 13 LYS CB C 10.464 -2.019 -0.797 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 LYS CB . . rr_3znf 1
1 . 199 . 1 1 13 LYS CD C 12.916 -2.375 -1.079 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 LYS CD . . rr_3znf 1
1 . 200 . 1 1 13 LYS CE C 14.015 -2.723 -2.085 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 LYS CE . . rr_3znf 1
1 . 201 . 1 1 13 LYS CG C 11.579 -2.268 -1.815 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 LYS CG . . rr_3znf 1
1 . 202 . 1 1 13 LYS H H 7.818 -1.733 -0.151 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 LYS H . . rr_3znf 1
1 . 203 . 1 1 13 LYS HA H 9.920 -0.081 -1.501 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 LYS HA . . rr_3znf 1
1 . 204 . 1 1 13 LYS HB2 H 10.885 -1.602 0.106 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 LYS HB2 . . rr_3znf 1
1 . 205 . 1 1 13 LYS HB3 H 9.973 -2.952 -0.561 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 LYS HB3 . . rr_3znf 1
1 . 206 . 1 1 13 LYS HD2 H 13.145 -1.432 -0.603 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 LYS HD2 . . rr_3znf 1
1 . 207 . 1 1 13 LYS HD3 H 12.855 -3.146 -0.325 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 LYS HD3 . . rr_3znf 1
1 . 208 . 1 1 13 LYS HE2 H 13.880 -3.738 -2.431 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 LYS HE2 . . rr_3znf 1
1 . 209 . 1 1 13 LYS HE3 H 13.959 -2.053 -2.929 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 LYS HE3 . . rr_3znf 1
1 . 210 . 1 1 13 LYS HG2 H 11.385 -3.187 -2.350 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 LYS HG2 . . rr_3znf 1
1 . 211 . 1 1 13 LYS HG3 H 11.617 -1.450 -2.519 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 LYS HG3 . . rr_3znf 1
1 . 212 . 1 1 13 LYS HZ1 H 15.337 -1.845 -0.737 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 LYS HZ1 . . rr_3znf 1
1 . 213 . 1 1 13 LYS HZ2 H 15.613 -3.500 -0.998 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 LYS HZ2 . . rr_3znf 1
1 . 214 . 1 1 13 LYS HZ3 H 16.064 -2.367 -2.180 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 LYS HZ3 . . rr_3znf 1
1 . 215 . 1 1 13 LYS N N 8.285 -0.928 -0.456 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 LYS N . . rr_3znf 1
1 . 216 . 1 1 13 LYS NZ N 15.359 -2.600 -1.452 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 LYS NZ . . rr_3znf 1
1 . 217 . 1 1 13 LYS O O 9.549 -1.117 -3.778 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 LYS O . . rr_3znf 1
1 . 218 . 1 1 14 THR C C 6.074 -3.098 -4.164 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 THR C . . rr_3znf 1
1 . 219 . 1 1 14 THR CA C 7.601 -2.987 -4.113 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 THR CA . . rr_3znf 1
1 . 220 . 1 1 14 THR CB C 8.217 -4.374 -4.320 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 THR CB . . rr_3znf 1
1 . 221 . 1 1 14 THR CG2 C 9.689 -4.286 -4.715 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 THR CG2 . . rr_3znf 1
1 . 222 . 1 1 14 THR H H 7.649 -2.749 -1.978 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 THR H . . rr_3znf 1
1 . 223 . 1 1 14 THR HA H 7.929 -2.340 -4.890 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 THR HA . . rr_3znf 1
1 . 224 . 1 1 14 THR HB H 7.658 -4.964 -5.025 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 THR HB . . rr_3znf 1
1 . 225 . 1 1 14 THR HG1 H 8.037 -5.910 -3.133 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 THR HG1 . . rr_3znf 1
1 . 226 . 1 1 14 THR HG21 H 10.051 -3.283 -4.549 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 THR HG21 . . rr_3znf 1
1 . 227 . 1 1 14 THR HG22 H 10.268 -4.976 -4.120 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 THR HG22 . . rr_3znf 1
1 . 228 . 1 1 14 THR HG23 H 9.801 -4.536 -5.759 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 THR HG23 . . rr_3znf 1
1 . 229 . 1 1 14 THR N N 8.059 -2.444 -2.801 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 THR N . . rr_3znf 1
1 . 230 . 1 1 14 THR O O 5.394 -2.865 -3.185 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 THR O . . rr_3znf 1
1 . 231 . 1 1 14 THR OG1 O 8.210 -4.970 -3.027 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 THR OG1 . . rr_3znf 1
1 . 232 . 1 1 15 LYS C C 3.570 -4.727 -4.604 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 LYS C . . rr_3znf 1
1 . 233 . 1 1 15 LYS CA C 4.102 -3.590 -5.481 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 LYS CA . . rr_3znf 1
1 . 234 . 1 1 15 LYS CB C 3.788 -3.895 -6.946 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 LYS CB . . rr_3znf 1
1 . 235 . 1 1 15 LYS CD C 1.902 -3.992 -8.574 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 LYS CD . . rr_3znf 1
1 . 236 . 1 1 15 LYS CE C 0.602 -4.755 -8.829 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 LYS CE . . rr_3znf 1
1 . 237 . 1 1 15 LYS CG C 2.283 -4.126 -7.099 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 LYS CG . . rr_3znf 1
1 . 238 . 1 1 15 LYS H H 6.163 -3.624 -6.077 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 LYS H . . rr_3znf 1
1 . 239 . 1 1 15 LYS HA H 3.630 -2.670 -5.203 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 LYS HA . . rr_3znf 1
1 . 240 . 1 1 15 LYS HB2 H 4.091 -3.063 -7.563 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 LYS HB2 . . rr_3znf 1
1 . 241 . 1 1 15 LYS HB3 H 4.324 -4.778 -7.256 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 LYS HB3 . . rr_3znf 1
1 . 242 . 1 1 15 LYS HD2 H 1.766 -2.948 -8.820 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 LYS HD2 . . rr_3znf 1
1 . 243 . 1 1 15 LYS HD3 H 2.690 -4.400 -9.191 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 LYS HD3 . . rr_3znf 1
1 . 244 . 1 1 15 LYS HE2 H 0.829 -5.761 -9.150 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 LYS HE2 . . rr_3znf 1
1 . 245 . 1 1 15 LYS HE3 H 0.022 -4.797 -7.919 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 LYS HE3 . . rr_3znf 1
1 . 246 . 1 1 15 LYS HG2 H 2.032 -5.117 -6.748 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 LYS HG2 . . rr_3znf 1
1 . 247 . 1 1 15 LYS HG3 H 1.742 -3.396 -6.516 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 LYS HG3 . . rr_3znf 1
1 . 248 . 1 1 15 LYS HZ1 H 0.194 -3.134 -10.070 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 LYS HZ1 . . rr_3znf 1
1 . 249 . 1 1 15 LYS HZ2 H -0.171 -4.643 -10.760 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 LYS HZ2 . . rr_3znf 1
1 . 250 . 1 1 15 LYS HZ3 H -1.187 -3.986 -9.567 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 LYS HZ3 . . rr_3znf 1
1 . 251 . 1 1 15 LYS N N 5.574 -3.455 -5.321 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 LYS N . . rr_3znf 1
1 . 252 . 1 1 15 LYS NZ N -0.201 -4.078 -9.887 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 LYS NZ . . rr_3znf 1
1 . 253 . 1 1 15 LYS O O 2.495 -4.633 -4.051 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 LYS O . . rr_3znf 1
1 . 254 . 1 1 16 GLY C C 3.542 -6.443 -2.249 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 GLY C . . rr_3znf 1
1 . 255 . 1 1 16 GLY CA C 3.883 -6.924 -3.661 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 GLY CA . . rr_3znf 1
1 . 256 . 1 1 16 GLY H H 5.194 -5.816 -4.968 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 GLY H . . rr_3znf 1
1 . 257 . 1 1 16 GLY HA2 H 3.007 -7.371 -4.107 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 GLY HA2 . . rr_3znf 1
1 . 258 . 1 1 16 GLY HA3 H 4.671 -7.660 -3.607 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 GLY HA3 . . rr_3znf 1
1 . 259 . 1 1 16 GLY N N 4.334 -5.779 -4.499 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 GLY N . . rr_3znf 1
1 . 260 . 1 1 16 GLY O O 2.470 -6.703 -1.742 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 GLY O . . rr_3znf 1
1 . 261 . 1 1 17 ASN C C 3.061 -4.227 -0.276 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 ASN C . . rr_3znf 1
1 . 262 . 1 1 17 ASN CA C 4.221 -5.238 -0.272 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 ASN CA . . rr_3znf 1
1 . 263 . 1 1 17 ASN CB C 5.492 -4.570 0.238 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 ASN CB . . rr_3znf 1
1 . 264 . 1 1 17 ASN CG C 6.591 -5.624 0.386 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 ASN CG . . rr_3znf 1
1 . 265 . 1 1 17 ASN H H 5.315 -5.568 -2.089 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 ASN H . . rr_3znf 1
1 . 266 . 1 1 17 ASN HA H 3.973 -6.061 0.367 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 ASN HA . . rr_3znf 1
1 . 267 . 1 1 17 ASN HB2 H 5.814 -3.815 -0.463 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 ASN HB2 . . rr_3znf 1
1 . 268 . 1 1 17 ASN HB3 H 5.306 -4.114 1.196 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 ASN HB3 . . rr_3znf 1
1 . 269 . 1 1 17 ASN HD21 H 7.216 -5.421 -1.488 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 ASN HD21 . . rr_3znf 1
1 . 270 . 1 1 17 ASN HD22 H 8.061 -6.565 -0.560 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 ASN HD22 . . rr_3znf 1
1 . 271 . 1 1 17 ASN N N 4.466 -5.747 -1.646 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 ASN N . . rr_3znf 1
1 . 272 . 1 1 17 ASN ND2 N 7.352 -5.892 -0.639 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 ASN ND2 . . rr_3znf 1
1 . 273 . 1 1 17 ASN O O 2.067 -4.421 0.395 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 ASN O . . rr_3znf 1
1 . 274 . 1 1 17 ASN OD1 O 6.765 -6.212 1.435 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 ASN OD1 . . rr_3znf 1
1 . 275 . 1 1 18 LEU C C 0.782 -2.858 -1.257 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 LEU C . . rr_3znf 1
1 . 276 . 1 1 18 LEU CA C 2.128 -2.142 -1.104 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 LEU CA . . rr_3znf 1
1 . 277 . 1 1 18 LEU CB C 2.411 -1.231 -2.330 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 LEU CB . . rr_3znf 1
1 . 278 . 1 1 18 LEU CD1 C -0.009 -0.791 -3.042 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 LEU CD1 . . rr_3znf 1
1 . 279 . 1 1 18 LEU CD2 C 1.029 0.642 -1.277 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 LEU CD2 . . rr_3znf 1
1 . 280 . 1 1 18 LEU CG C 1.298 -0.151 -2.560 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 LEU CG . . rr_3znf 1
1 . 281 . 1 1 18 LEU H H 4.044 -3.050 -1.546 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 LEU H . . rr_3znf 1
1 . 282 . 1 1 18 LEU HA H 2.131 -1.554 -0.203 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 LEU HA . . rr_3znf 1
1 . 283 . 1 1 18 LEU HB2 H 3.354 -0.728 -2.178 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 LEU HB2 . . rr_3znf 1
1 . 284 . 1 1 18 LEU HB3 H 2.496 -1.846 -3.212 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 LEU HB3 . . rr_3znf 1
1 . 285 . 1 1 18 LEU HD11 H 0.195 -1.736 -3.516 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 LEU HD11 . . rr_3znf 1
1 . 286 . 1 1 18 LEU HD12 H -0.670 -0.944 -2.209 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 LEU HD12 . . rr_3znf 1
1 . 287 . 1 1 18 LEU HD13 H -0.488 -0.135 -3.753 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 LEU HD13 . . rr_3znf 1
1 . 288 . 1 1 18 LEU HD21 H 1.951 1.008 -0.884 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 LEU HD21 . . rr_3znf 1
1 . 289 . 1 1 18 LEU HD22 H 0.386 1.480 -1.502 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 LEU HD22 . . rr_3znf 1
1 . 290 . 1 1 18 LEU HD23 H 0.549 0.020 -0.540 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 LEU HD23 . . rr_3znf 1
1 . 291 . 1 1 18 LEU HG H 1.642 0.536 -3.318 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 LEU HG . . rr_3znf 1
1 . 292 . 1 1 18 LEU N N 3.219 -3.169 -1.032 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 LEU N . . rr_3znf 1
1 . 293 . 1 1 18 LEU O O -0.175 -2.541 -0.583 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 LEU O . . rr_3znf 1
1 . 294 . 1 1 19 THR C C -0.985 -5.221 -1.045 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 THR C . . rr_3znf 1
1 . 295 . 1 1 19 THR CA C -0.522 -4.573 -2.353 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 THR CA . . rr_3znf 1
1 . 296 . 1 1 19 THR CB C -0.290 -5.659 -3.407 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 THR CB . . rr_3znf 1
1 . 297 . 1 1 19 THR CG2 C -1.590 -6.366 -3.779 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 THR CG2 . . rr_3znf 1
1 . 298 . 1 1 19 THR H H 1.549 -4.055 -2.641 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 THR H . . rr_3znf 1
1 . 299 . 1 1 19 THR HA H -1.282 -3.895 -2.702 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 THR HA . . rr_3znf 1
1 . 300 . 1 1 19 THR HB H 0.465 -6.361 -3.105 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 THR HB . . rr_3znf 1
1 . 301 . 1 1 19 THR HG1 H -0.583 -4.305 -4.777 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 THR HG1 . . rr_3znf 1
1 . 302 . 1 1 19 THR HG21 H -2.355 -5.634 -3.996 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 THR HG21 . . rr_3znf 1
1 . 303 . 1 1 19 THR HG22 H -1.433 -6.983 -4.652 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 THR HG22 . . rr_3znf 1
1 . 304 . 1 1 19 THR HG23 H -1.916 -6.988 -2.958 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 THR HG23 . . rr_3znf 1
1 . 305 . 1 1 19 THR N N 0.747 -3.823 -2.135 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 THR N . . rr_3znf 1
1 . 306 . 1 1 19 THR O O -2.160 -5.248 -0.753 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 THR O . . rr_3znf 1
1 . 307 . 1 1 19 THR OG1 O 0.100 -4.949 -4.579 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 THR OG1 . . rr_3znf 1
1 . 308 . 1 1 20 LYS C C -1.229 -5.380 1.856 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 LYS C . . rr_3znf 1
1 . 309 . 1 1 20 LYS CA C -0.433 -6.374 1.007 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 LYS CA . . rr_3znf 1
1 . 310 . 1 1 20 LYS CB C 0.833 -6.786 1.754 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 LYS CB . . rr_3znf 1
1 . 311 . 1 1 20 LYS CD C 1.790 -8.513 3.276 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 LYS CD . . rr_3znf 1
1 . 312 . 1 1 20 LYS CE C 1.841 -10.020 3.531 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 LYS CE . . rr_3znf 1
1 . 313 . 1 1 20 LYS CG C 0.660 -8.209 2.290 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 LYS CG . . rr_3znf 1
1 . 314 . 1 1 20 LYS H H 0.887 -5.693 -0.567 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 LYS H . . rr_3znf 1
1 . 315 . 1 1 20 LYS HA H -1.038 -7.246 0.813 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 LYS HA . . rr_3znf 1
1 . 316 . 1 1 20 LYS HB2 H 1.679 -6.751 1.083 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 LYS HB2 . . rr_3znf 1
1 . 317 . 1 1 20 LYS HB3 H 1.007 -6.108 2.577 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 LYS HB3 . . rr_3znf 1
1 . 318 . 1 1 20 LYS HD2 H 2.731 -8.183 2.861 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 LYS HD2 . . rr_3znf 1
1 . 319 . 1 1 20 LYS HD3 H 1.610 -7.993 4.205 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 LYS HD3 . . rr_3znf 1
1 . 320 . 1 1 20 LYS HE2 H 0.912 -10.473 3.215 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 LYS HE2 . . rr_3znf 1
1 . 321 . 1 1 20 LYS HE3 H 2.654 -10.456 2.969 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 LYS HE3 . . rr_3znf 1
1 . 322 . 1 1 20 LYS HG2 H -0.293 -8.295 2.791 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 LYS HG2 . . rr_3znf 1
1 . 323 . 1 1 20 LYS HG3 H 0.695 -8.912 1.470 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 LYS HG3 . . rr_3znf 1
1 . 324 . 1 1 20 LYS HZ1 H 2.880 -9.769 5.318 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 LYS HZ1 . . rr_3znf 1
1 . 325 . 1 1 20 LYS HZ2 H 1.209 -9.996 5.514 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 LYS HZ2 . . rr_3znf 1
1 . 326 . 1 1 20 LYS HZ3 H 2.203 -11.315 5.121 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 LYS HZ3 . . rr_3znf 1
1 . 327 . 1 1 20 LYS N N -0.053 -5.732 -0.289 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 LYS N . . rr_3znf 1
1 . 328 . 1 1 20 LYS NZ N 2.049 -10.296 4.980 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 LYS NZ . . rr_3znf 1
1 . 329 . 1 1 20 LYS O O -2.131 -5.754 2.580 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 LYS O . . rr_3znf 1
1 . 330 . 1 1 21 HIS C C -3.003 -2.925 1.953 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 HIS C . . rr_3znf 1
1 . 331 . 1 1 21 HIS CA C -1.597 -3.087 2.523 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 HIS CA . . rr_3znf 1
1 . 332 . 1 1 21 HIS CB C -0.837 -1.785 2.397 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 HIS CB . . rr_3znf 1
1 . 333 . 1 1 21 HIS CD2 C -1.862 0.575 2.910 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 HIS CD2 . . rr_3znf 1
1 . 334 . 1 1 21 HIS CE1 C -2.273 0.283 4.954 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 HIS CE1 . . rr_3znf 1
1 . 335 . 1 1 21 HIS CG C -1.482 -0.703 3.263 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 HIS CG . . rr_3znf 1
1 . 336 . 1 1 21 HIS H H -0.124 -3.883 1.165 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 HIS H . . rr_3znf 1
1 . 337 . 1 1 21 HIS HA H -1.652 -3.368 3.549 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 HIS HA . . rr_3znf 1
1 . 338 . 1 1 21 HIS HB2 H 0.179 -1.931 2.699 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 HIS HB2 . . rr_3znf 1
1 . 339 . 1 1 21 HIS HB3 H -0.851 -1.466 1.383 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 HIS HB3 . . rr_3znf 1
1 . 340 . 1 1 21 HIS HD1 H -1.606 -1.611 5.048 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 HIS HD1 . . rr_3znf 1
1 . 341 . 1 1 21 HIS HD2 H -1.735 1.025 1.938 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 HIS HD2 . . rr_3znf 1
1 . 342 . 1 1 21 HIS HE1 H -2.548 0.457 5.979 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 HIS HE1 . . rr_3znf 1
1 . 343 . 1 1 21 HIS N N -0.869 -4.132 1.751 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 HIS N . . rr_3znf 1
1 . 344 . 1 1 21 HIS ND1 N -1.761 -0.808 4.508 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 HIS ND1 . . rr_3znf 1
1 . 345 . 1 1 21 HIS NE2 N -2.361 1.175 3.996 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 HIS NE2 . . rr_3znf 1
1 . 346 . 1 1 21 HIS O O -3.983 -3.007 2.667 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 HIS O . . rr_3znf 1
1 . 347 . 1 1 22 MET C C -5.174 -3.864 0.115 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 22 MET C . . rr_3znf 1
1 . 348 . 1 1 22 MET CA C -4.405 -2.543 0.019 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 22 MET CA . . rr_3znf 1
1 . 349 . 1 1 22 MET CB C -4.223 -2.187 -1.460 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 22 MET CB . . rr_3znf 1
1 . 350 . 1 1 22 MET CE C -3.687 1.284 0.051 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 22 MET CE . . rr_3znf 1
1 . 351 . 1 1 22 MET CG C -3.443 -0.876 -1.594 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 22 MET CG . . rr_3znf 1
1 . 352 . 1 1 22 MET H H -2.243 -2.621 0.145 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 22 MET H . . rr_3znf 1
1 . 353 . 1 1 22 MET HA H -4.962 -1.765 0.512 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 22 MET HA . . rr_3znf 1
1 . 354 . 1 1 22 MET HB2 H -3.680 -2.979 -1.956 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 22 MET HB2 . . rr_3znf 1
1 . 355 . 1 1 22 MET HB3 H -5.191 -2.079 -1.927 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 22 MET HB3 . . rr_3znf 1
1 . 356 . 1 1 22 MET HE1 H -3.707 0.497 0.791 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 22 MET HE1 . . rr_3znf 1
1 . 357 . 1 1 22 MET HE2 H -2.668 1.601 -0.113 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 22 MET HE2 . . rr_3znf 1
1 . 358 . 1 1 22 MET HE3 H -4.273 2.121 0.401 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 22 MET HE3 . . rr_3znf 1
1 . 359 . 1 1 22 MET HG2 H -2.687 -0.849 -0.826 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 22 MET HG2 . . rr_3znf 1
1 . 360 . 1 1 22 MET HG3 H -2.942 -0.888 -2.547 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 22 MET HG3 . . rr_3znf 1
1 . 361 . 1 1 22 MET N N -3.068 -2.695 0.672 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 22 MET N . . rr_3znf 1
1 . 362 . 1 1 22 MET O O -6.386 -3.893 0.030 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 22 MET O . . rr_3znf 1
1 . 363 . 1 1 22 MET SD S -4.380 0.669 -1.504 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 22 MET SD . . rr_3znf 1
1 . 364 . 1 1 23 LYS C C -5.934 -6.349 1.659 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 LYS C . . rr_3znf 1
1 . 365 . 1 1 23 LYS CA C -5.095 -6.270 0.385 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 LYS CA . . rr_3znf 1
1 . 366 . 1 1 23 LYS CB C -4.011 -7.351 0.412 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 LYS CB . . rr_3znf 1
1 . 367 . 1 1 23 LYS CD C -4.235 -9.472 -0.876 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 LYS CD . . rr_3znf 1
1 . 368 . 1 1 23 LYS CE C -4.829 -10.882 -0.859 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 LYS CE . . rr_3znf 1
1 . 369 . 1 1 23 LYS CG C -4.669 -8.730 0.389 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 LYS CG . . rr_3znf 1
1 . 370 . 1 1 23 LYS H H -3.472 -4.853 0.368 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 LYS H . . rr_3znf 1
1 . 371 . 1 1 23 LYS HA H -5.729 -6.422 -0.471 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 LYS HA . . rr_3znf 1
1 . 372 . 1 1 23 LYS HB2 H -3.370 -7.242 -0.449 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 LYS HB2 . . rr_3znf 1
1 . 373 . 1 1 23 LYS HB3 H -3.420 -7.248 1.308 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 LYS HB3 . . rr_3znf 1
1 . 374 . 1 1 23 LYS HD2 H -4.587 -8.940 -1.748 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 LYS HD2 . . rr_3znf 1
1 . 375 . 1 1 23 LYS HD3 H -3.158 -9.533 -0.909 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 LYS HD3 . . rr_3znf 1
1 . 376 . 1 1 23 LYS HE2 H -4.217 -11.525 -0.243 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 LYS HE2 . . rr_3znf 1
1 . 377 . 1 1 23 LYS HE3 H -5.828 -10.849 -0.449 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 LYS HE3 . . rr_3znf 1
1 . 378 . 1 1 23 LYS HG2 H -4.364 -9.291 1.261 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 LYS HG2 . . rr_3znf 1
1 . 379 . 1 1 23 LYS HG3 H -5.742 -8.622 0.395 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 LYS HG3 . . rr_3znf 1
1 . 380 . 1 1 23 LYS HZ1 H -4.064 -11.113 -2.781 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 LYS HZ1 . . rr_3znf 1
1 . 381 . 1 1 23 LYS HZ2 H -4.881 -12.480 -2.192 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 LYS HZ2 . . rr_3znf 1
1 . 382 . 1 1 23 LYS HZ3 H -5.761 -11.121 -2.705 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 LYS HZ3 . . rr_3znf 1
1 . 383 . 1 1 23 LYS N N -4.442 -4.932 0.289 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 LYS N . . rr_3znf 1
1 . 384 . 1 1 23 LYS NZ N -4.888 -11.441 -2.239 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 LYS NZ . . rr_3znf 1
1 . 385 . 1 1 23 LYS O O -7.141 -6.471 1.605 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 LYS O . . rr_3znf 1
1 . 386 . 1 1 24 SER C C -7.180 -5.336 4.028 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 SER C . . rr_3znf 1
1 . 387 . 1 1 24 SER CA C -6.026 -6.340 4.065 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 SER CA . . rr_3znf 1
1 . 388 . 1 1 24 SER CB C -5.084 -5.994 5.217 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 SER CB . . rr_3znf 1
1 . 389 . 1 1 24 SER H H -4.300 -6.187 2.783 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 SER H . . rr_3znf 1
1 . 390 . 1 1 24 SER HA H -6.418 -7.332 4.207 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 SER HA . . rr_3znf 1
1 . 391 . 1 1 24 SER HB2 H -4.206 -6.624 5.196 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 SER HB2 . . rr_3znf 1
1 . 392 . 1 1 24 SER HB3 H -4.802 -4.952 5.182 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 SER HB3 . . rr_3znf 1
1 . 393 . 1 1 24 SER HG H -5.250 -6.283 7.133 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 SER HG . . rr_3znf 1
1 . 394 . 1 1 24 SER N N -5.276 -6.279 2.783 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 SER N . . rr_3znf 1
1 . 395 . 1 1 24 SER O O -7.315 -4.580 3.086 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 SER O . . rr_3znf 1
1 . 396 . 1 1 24 SER OG O -5.850 -6.257 6.383 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 SER OG . . rr_3znf 1
1 . 397 . 1 1 25 LYS C C -8.645 -2.995 5.442 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 LYS C . . rr_3znf 1
1 . 398 . 1 1 25 LYS CA C -9.131 -4.395 5.074 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 LYS CA . . rr_3znf 1
1 . 399 . 1 1 25 LYS CB C -10.154 -4.872 6.099 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 LYS CB . . rr_3znf 1
1 . 400 . 1 1 25 LYS CD C -11.811 -6.661 6.589 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 LYS CD . . rr_3znf 1
1 . 401 . 1 1 25 LYS CE C -12.572 -7.851 6.003 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 LYS CE . . rr_3znf 1
1 . 402 . 1 1 25 LYS CG C -10.974 -6.011 5.492 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 LYS CG . . rr_3znf 1
1 . 403 . 1 1 25 LYS H H -7.844 -5.975 5.785 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 LYS H . . rr_3znf 1
1 . 404 . 1 1 25 LYS HA H -9.593 -4.361 4.100 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 LYS HA . . rr_3znf 1
1 . 405 . 1 1 25 LYS HB2 H -9.645 -5.223 6.984 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 LYS HB2 . . rr_3znf 1
1 . 406 . 1 1 25 LYS HB3 H -10.810 -4.057 6.366 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 LYS HB3 . . rr_3znf 1
1 . 407 . 1 1 25 LYS HD2 H -11.164 -7.001 7.385 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 LYS HD2 . . rr_3znf 1
1 . 408 . 1 1 25 LYS HD3 H -12.512 -5.941 6.985 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 LYS HD3 . . rr_3znf 1
1 . 409 . 1 1 25 LYS HE2 H -11.909 -8.434 5.380 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 LYS HE2 . . rr_3znf 1
1 . 410 . 1 1 25 LYS HE3 H -12.942 -8.475 6.802 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 LYS HE3 . . rr_3znf 1
1 . 411 . 1 1 25 LYS HG2 H -11.624 -5.621 4.722 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 LYS HG2 . . rr_3znf 1
1 . 412 . 1 1 25 LYS HG3 H -10.310 -6.745 5.058 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 LYS HG3 . . rr_3znf 1
1 . 413 . 1 1 25 LYS HZ1 H -13.403 -6.628 4.538 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 LYS HZ1 . . rr_3znf 1
1 . 414 . 1 1 25 LYS HZ2 H -14.101 -8.173 4.627 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 LYS HZ2 . . rr_3znf 1
1 . 415 . 1 1 25 LYS HZ3 H -14.466 -7.008 5.807 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 LYS HZ3 . . rr_3znf 1
1 . 416 . 1 1 25 LYS N N -7.987 -5.347 5.046 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 LYS N . . rr_3znf 1
1 . 417 . 1 1 25 LYS NZ N -13.723 -7.379 5.181 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 LYS NZ . . rr_3znf 1
1 . 418 . 1 1 25 LYS O O -9.372 -2.222 6.032 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 LYS O . . rr_3znf 1
1 . 419 . 1 1 26 ALA C C -7.921 -0.295 4.998 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 ALA C . . rr_3znf 1
1 . 420 . 1 1 26 ALA CA C -6.888 -1.344 5.407 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 ALA CA . . rr_3znf 1
1 . 421 . 1 1 26 ALA CB C -5.591 -1.120 4.632 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 ALA CB . . rr_3znf 1
1 . 422 . 1 1 26 ALA H H -6.863 -3.358 4.630 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 ALA H . . rr_3znf 1
1 . 423 . 1 1 26 ALA HA H -6.696 -1.269 6.464 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 ALA HA . . rr_3znf 1
1 . 424 . 1 1 26 ALA HB1 H -5.730 -1.406 3.600 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 ALA HB1 . . rr_3znf 1
1 . 425 . 1 1 26 ALA HB2 H -5.315 -0.077 4.679 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 ALA HB2 . . rr_3znf 1
1 . 426 . 1 1 26 ALA HB3 H -4.802 -1.717 5.063 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 ALA HB3 . . rr_3znf 1
1 . 427 . 1 1 26 ALA N N -7.421 -2.699 5.093 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 ALA N . . rr_3znf 1
1 . 428 . 1 1 26 ALA O O -8.798 0.045 5.766 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 ALA O . . rr_3znf 1
1 . 429 . 1 1 27 HIS C C -8.526 1.596 1.869 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 HIS C . . rr_3znf 1
1 . 430 . 1 1 27 HIS CA C -8.782 1.210 3.324 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 HIS CA . . rr_3znf 1
1 . 431 . 1 1 27 HIS CB C -8.708 2.457 4.194 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 HIS CB . . rr_3znf 1
1 . 432 . 1 1 27 HIS CD2 C -6.045 2.405 3.878 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 HIS CD2 . . rr_3znf 1
1 . 433 . 1 1 27 HIS CE1 C -5.650 3.980 5.223 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 HIS CE1 . . rr_3znf 1
1 . 434 . 1 1 27 HIS CG C -7.251 2.876 4.431 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 HIS CG . . rr_3znf 1
1 . 435 . 1 1 27 HIS H H -7.064 -0.093 3.213 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 HIS H . . rr_3znf 1
1 . 436 . 1 1 27 HIS HA H -9.771 0.791 3.403 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 HIS HA . . rr_3znf 1
1 . 437 . 1 1 27 HIS HB2 H -9.230 3.268 3.704 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 HIS HB2 . . rr_3znf 1
1 . 438 . 1 1 27 HIS HB3 H -9.179 2.265 5.146 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 HIS HB3 . . rr_3znf 1
1 . 439 . 1 1 27 HIS HD1 H -7.536 4.337 5.759 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 HIS HD1 . . rr_3znf 1
1 . 440 . 1 1 27 HIS HD2 H -5.939 1.617 3.151 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 HIS HD2 . . rr_3znf 1
1 . 441 . 1 1 27 HIS HE1 H -5.138 4.735 5.797 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 HIS HE1 . . rr_3znf 1
1 . 442 . 1 1 27 HIS N N -7.795 0.200 3.796 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 HIS N . . rr_3znf 1
1 . 443 . 1 1 27 HIS ND1 N -6.908 3.812 5.221 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 HIS ND1 . . rr_3znf 1
1 . 444 . 1 1 27 HIS NE2 N -5.054 3.140 4.415 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 HIS NE2 . . rr_3znf 1
1 . 445 . 1 1 27 HIS O O -8.016 2.664 1.594 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 HIS O . . rr_3znf 1
1 . 446 . 1 1 28 SER C C -9.453 0.125 -1.381 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 28 SER C . . rr_3znf 1
1 . 447 . 1 1 28 SER CA C -8.671 1.068 -0.466 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 28 SER CA . . rr_3znf 1
1 . 448 . 1 1 28 SER CB C -7.199 0.964 -0.770 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 28 SER CB . . rr_3znf 1
1 . 449 . 1 1 28 SER H H -9.254 -0.136 1.219 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 28 SER H . . rr_3znf 1
1 . 450 . 1 1 28 SER HA H -8.993 2.079 -0.642 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 28 SER HA . . rr_3znf 1
1 . 451 . 1 1 28 SER HB2 H -6.954 1.536 -1.646 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 28 SER HB2 . . rr_3znf 1
1 . 452 . 1 1 28 SER HB3 H -6.617 1.294 0.076 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 28 SER HB3 . . rr_3znf 1
1 . 453 . 1 1 28 SER HG H -7.539 -0.913 -0.397 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 28 SER HG . . rr_3znf 1
1 . 454 . 1 1 28 SER N N -8.881 0.729 0.963 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 28 SER N . . rr_3znf 1
1 . 455 . 1 1 28 SER O O -8.928 -0.387 -2.349 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 28 SER O . . rr_3znf 1
1 . 456 . 1 1 28 SER OG O -6.985 -0.419 -1.006 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 28 SER OG . . rr_3znf 1
1 . 457 . 1 1 29 LYS C C -12.114 -0.169 -3.075 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LYS C . . rr_3znf 1
1 . 458 . 1 1 29 LYS CA C -11.532 -0.974 -1.910 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LYS CA . . rr_3znf 1
1 . 459 . 1 1 29 LYS CB C -12.676 -1.554 -1.073 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LYS CB . . rr_3znf 1
1 . 460 . 1 1 29 LYS CD C -13.232 -3.429 0.525 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LYS CD . . rr_3znf 1
1 . 461 . 1 1 29 LYS CE C -14.128 -2.619 1.475 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LYS CE . . rr_3znf 1
1 . 462 . 1 1 29 LYS CG C -12.105 -2.537 -0.032 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LYS CG . . rr_3znf 1
1 . 463 . 1 1 29 LYS H H -11.069 0.344 -0.262 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LYS H . . rr_3znf 1
1 . 464 . 1 1 29 LYS HA H -10.927 -1.774 -2.298 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LYS HA . . rr_3znf 1
1 . 465 . 1 1 29 LYS HB2 H -13.195 -0.752 -0.570 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LYS HB2 . . rr_3znf 1
1 . 466 . 1 1 29 LYS HB3 H -13.369 -2.069 -1.722 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LYS HB3 . . rr_3znf 1
1 . 467 . 1 1 29 LYS HD2 H -13.828 -3.817 -0.289 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LYS HD2 . . rr_3znf 1
1 . 468 . 1 1 29 LYS HD3 H -12.799 -4.258 1.064 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LYS HD3 . . rr_3znf 1
1 . 469 . 1 1 29 LYS HE2 H -14.063 -3.032 2.470 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LYS HE2 . . rr_3znf 1
1 . 470 . 1 1 29 LYS HE3 H -13.805 -1.591 1.501 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LYS HE3 . . rr_3znf 1
1 . 471 . 1 1 29 LYS HG2 H -11.356 -3.160 -0.496 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LYS HG2 . . rr_3znf 1
1 . 472 . 1 1 29 LYS HG3 H -11.645 -1.984 0.775 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LYS HG3 . . rr_3znf 1
1 . 473 . 1 1 29 LYS HZ1 H -15.580 -2.682 -0.017 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LYS HZ1 . . rr_3znf 1
1 . 474 . 1 1 29 LYS HZ2 H -15.997 -3.532 1.392 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LYS HZ2 . . rr_3znf 1
1 . 475 . 1 1 29 LYS HZ3 H -16.054 -1.835 1.376 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LYS HZ3 . . rr_3znf 1
1 . 476 . 1 1 29 LYS N N -10.694 -0.081 -1.057 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LYS N . . rr_3znf 1
1 . 477 . 1 1 29 LYS NZ N -15.547 -2.671 1.022 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LYS NZ . . rr_3znf 1
1 . 478 . 1 1 29 LYS O O -13.252 -0.355 -3.456 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LYS O . . rr_3znf 1
1 . 479 . 1 1 30 LYS C C -10.596 2.154 -5.491 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 LYS C . . rr_3znf 1
1 . 480 . 1 1 30 LYS CA C -11.789 1.542 -4.748 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 LYS CA . . rr_3znf 1
1 . 481 . 1 1 30 LYS CB C -12.680 2.663 -4.208 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 LYS CB . . rr_3znf 1
1 . 482 . 1 1 30 LYS CD C -15.037 3.404 -3.915 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 LYS CD . . rr_3znf 1
1 . 483 . 1 1 30 LYS CE C -16.254 3.726 -4.782 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 LYS CE . . rr_3znf 1
1 . 484 . 1 1 30 LYS CG C -14.121 2.442 -4.672 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 LYS CG . . rr_3znf 1
1 . 485 . 1 1 30 LYS H H -10.407 0.818 -3.280 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 LYS H . . rr_3znf 1
1 . 486 . 1 1 30 LYS HA H -12.351 0.931 -5.421 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 LYS HA . . rr_3znf 1
1 . 487 . 1 1 30 LYS HB2 H -12.644 2.666 -3.129 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 LYS HB2 . . rr_3znf 1
1 . 488 . 1 1 30 LYS HB3 H -12.326 3.615 -4.575 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 LYS HB3 . . rr_3znf 1
1 . 489 . 1 1 30 LYS HD2 H -15.360 2.946 -2.991 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 LYS HD2 . . rr_3znf 1
1 . 490 . 1 1 30 LYS HD3 H -14.500 4.314 -3.689 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 LYS HD3 . . rr_3znf 1
1 . 491 . 1 1 30 LYS HE2 H -16.491 2.876 -5.405 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 LYS HE2 . . rr_3znf 1
1 . 492 . 1 1 30 LYS HE3 H -17.101 3.947 -4.150 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 LYS HE3 . . rr_3znf 1
1 . 493 . 1 1 30 LYS HG2 H -14.192 2.630 -5.733 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 LYS HG2 . . rr_3znf 1
1 . 494 . 1 1 30 LYS HG3 H -14.418 1.424 -4.470 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 LYS HG3 . . rr_3znf 1
1 . 495 . 1 1 30 LYS HZ1 H -14.979 5.185 -5.545 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 LYS HZ1 . . rr_3znf 1
1 . 496 . 1 1 30 LYS HZ2 H -16.163 4.656 -6.642 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 LYS HZ2 . . rr_3znf 1
1 . 497 . 1 1 30 LYS HZ3 H -16.590 5.695 -5.369 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 LYS HZ3 . . rr_3znf 1
1 . 498 . 1 1 30 LYS N N -11.313 0.710 -3.614 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 LYS N . . rr_3znf 1
1 . 499 . 1 1 30 LYS NZ N -15.975 4.904 -5.650 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 LYS NZ . . rr_3znf 1
1 . 500 . 1 1 30 LYS O O -9.648 2.495 -4.803 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 LYS O . . rr_3znf 1
1 . 501 . 1 1 30 LYS OXT O -10.701 2.245 -6.703 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 LYS OXT . . rr_3znf 1
1 . 502 . 2 2 1 ZN ZN Zn -3.065 3.047 4.100 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 ZN ZN . . rr_3znf 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_3znf
_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 3znf.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_3znf 1
1 3znf.mr . . "MR format" 2 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_3znf 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_3znf
_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 R3ZNFMR 09-JUL-90
*COMPND ZINC FINGER (/NMR$)
*SOURCE HUMAN (HOMO $SAPIENS) ENHANCER BINDING PROTEIN *EXPDTA NMR *AUTHOR A.M.GRONENBORN,G.M.CLORE,J.G.OMICHINSKI
*COORDS 3TRX
*REMARK *REMARK HYDROGEN ATOMS IN THIS ENTRY HAVE BEEN ASSIGNED NAMES *REMARK CONSISTENT WITH THE RECOMMENDATIONS OF THE IUPAC-IUB *REMARK COMMISSION ON BIOCHEMICAL NOMENCLATURE (SEE,E.G., J.MOL. *REMARK BIOL. 52, 1 (1970)). THE PROTEIN DATA BANK HAS FOLLOWED *REMARK RULE 4.4 OF THE RECOMMENDATIONS WITH THE FOLLOWING *REMARK MODIFICATION - WHEN MORE THAN ONE HYDROGEN ATOM IS BONDED *REMARK TO A SINGLE NON-HYDROGEN ATOM, THE HYDROGEN ATOM NUMBER *REMARK DESIGNATION IS GIVEN AS THE FIRST CHARACTER OF THE ATOM *REMARK NAME RATHER THAN AS THE LAST CHARACTER (E.G. H*BETA*1 IS *REMARK DENOTED AS 1HB). *REMARK
*REMARK
*REMARK THE FOLLOWING IS A LIST OF ALL HYDROGEN ATOMS WITH THEIR *REMARK NAMES IN THE ENTRY AND THE ORIGINAL DATA:
;
save_
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