NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
383348 |
1jzp   |
5196 | cing | 3-converted-DOCR | STAR | entry | full | 12 |
data_DOCR_restraints_with_modified_coordinates_PDB_code_1jzp
# This DOCR archive file contains, for PDB entry <1jzp>:
#
# - 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_1jzp
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 1jzp"
_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 1jzp"
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_1jzp
_Assembly.ID 1
_Assembly.Name 1jzp
_Assembly.Number_of_components 1
_Assembly.Organic_ligands 0
_Assembly.Metal_ions 0
_Assembly.Non_standard_bonds no
_Assembly.Paramagnetic no
_Assembly.Thiol_state "not present"
_Assembly.Molecular_mass 2337.7885
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.PDB_chain_ID
_Entity_assembly.Experimental_data_reported
_Entity_assembly.Physical_state
_Entity_assembly.Conformational_isomer
_Entity_assembly.Chemical_exchange_state
_Entity_assembly.Magnetic_equivalence_group_code
_Entity_assembly.Role
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 "Skeletal Dihydropydrine Receptor" 1 $Skeletal_Dihydropydrine_Receptor A . no . . . . . . rr_1jzp 1
stop_
save_
save_Skeletal_Dihydropydrine_Receptor
_Entity.Sf_category entity
_Entity.Sf_framecode Skeletal_Dihydropydrine_Receptor
_Entity.Entry_ID rr_1jzp
_Entity.ID 1
_Entity.Name Skeletal_Dihydropydrine_Receptor
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code
;TSAQKAKAEERKRRKMSRGL
X
;
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer yes
_Entity.Nstd_chirality yes
_Entity.Nstd_linkage yes
_Entity.Number_of_monomers 21
_Entity.Paramagnetic no
_Entity.Thiol_state "not present"
_Entity.Parent_entity_ID 1
_Entity.Formula_weight 2337.7885
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 . THR . rr_1jzp 1
2 . SER . rr_1jzp 1
3 . ALA . rr_1jzp 1
4 . GLN . rr_1jzp 1
5 . LYS . rr_1jzp 1
6 . ALA . rr_1jzp 1
7 . LYS . rr_1jzp 1
8 . ALA . rr_1jzp 1
9 . GLU . rr_1jzp 1
10 . GLU . rr_1jzp 1
11 . ARG . rr_1jzp 1
12 . LYS . rr_1jzp 1
13 . ARG . rr_1jzp 1
14 . ARG . rr_1jzp 1
15 . LYS . rr_1jzp 1
16 . MET . rr_1jzp 1
17 . SER . rr_1jzp 1
18 . ARG . rr_1jzp 1
19 . GLY . rr_1jzp 1
20 . LEU . rr_1jzp 1
21 . NH2 . rr_1jzp 1
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. THR 1 1 rr_1jzp 1
. SER 2 2 rr_1jzp 1
. ALA 3 3 rr_1jzp 1
. GLN 4 4 rr_1jzp 1
. LYS 5 5 rr_1jzp 1
. ALA 6 6 rr_1jzp 1
. LYS 7 7 rr_1jzp 1
. ALA 8 8 rr_1jzp 1
. GLU 9 9 rr_1jzp 1
. GLU 10 10 rr_1jzp 1
. ARG 11 11 rr_1jzp 1
. LYS 12 12 rr_1jzp 1
. ARG 13 13 rr_1jzp 1
. ARG 14 14 rr_1jzp 1
. LYS 15 15 rr_1jzp 1
. MET 16 16 rr_1jzp 1
. SER 17 17 rr_1jzp 1
. ARG 18 18 rr_1jzp 1
. GLY 19 19 rr_1jzp 1
. LEU 20 20 rr_1jzp 1
. NH2 21 21 rr_1jzp 1
stop_
save_
save_chem_comp_NH2
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_NH2
_Chem_comp.Entry_ID rr_1jzp
_Chem_comp.ID NH2
_Chem_comp.Name "AMINO GROUP"
_Chem_comp.Type non-polymer
_Chem_comp.PDB_code NH2
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "H2 N"
_Chem_comp.Formula_weight 16.0225
save_
save_conformer_statistics
_Conformer_stat_list.Sf_category conformer_statistics
_Conformer_stat_list.Sf_framecode conformer_statistics
_Conformer_stat_list.Entry_ID rr_1jzp
_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_1jzp
_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_1jzp 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_1jzp 1
stop_
loop_
_Atom_site.Assembly_ID
_Atom_site.Model_ID
_Atom_site.Model_site_ID
_Atom_site.ID
_Atom_site.Assembly_atom_ID
_Atom_site.Label_entity_assembly_ID
_Atom_site.Label_entity_ID
_Atom_site.Label_comp_index_ID
_Atom_site.Label_comp_ID
_Atom_site.Label_atom_ID
_Atom_site.Type_symbol
_Atom_site.Cartn_x
_Atom_site.Cartn_y
_Atom_site.Cartn_z
_Atom_site.Cartn_x_esd
_Atom_site.Cartn_y_esd
_Atom_site.Cartn_z_esd
_Atom_site.Occupancy
_Atom_site.Occupancy_esd
_Atom_site.Uncertainty
_Atom_site.Ordered_flag
_Atom_site.Footnote_ID
_Atom_site.PDBX_label_asym_ID
_Atom_site.PDBX_label_seq_ID
_Atom_site.PDBX_label_comp_ID
_Atom_site.PDBX_label_atom_ID
_Atom_site.PDBX_formal_charge
_Atom_site.PDBX_label_entity_ID
_Atom_site.PDB_record_ID
_Atom_site.PDB_model_num
_Atom_site.PDB_strand_ID
_Atom_site.PDB_ins_code
_Atom_site.PDB_residue_no
_Atom_site.PDB_residue_name
_Atom_site.PDB_atom_name
_Atom_site.Auth_entity_assembly_ID
_Atom_site.Auth_asym_ID
_Atom_site.Auth_chain_ID
_Atom_site.Auth_seq_ID
_Atom_site.Auth_comp_ID
_Atom_site.Auth_atom_ID
_Atom_site.Auth_alt_ID
_Atom_site.Auth_atom_name
_Atom_site.Details
_Atom_site.Entry_ID
_Atom_site.Conformer_family_coord_set_ID
. 1 . 1 . 1 1 1 THR C C -5.607 -10.472 -6.386 . . . 1.0 . . . . . . . . . . . . A . 1 THR C . . . . . . . . . rr_1jzp 1
. 1 . 2 . 1 1 1 THR CA C -4.678 -10.744 -7.575 . . . 1.0 . . . . . . . . . . . . A . 1 THR CA . . . . . . . . . rr_1jzp 1
. 1 . 3 . 1 1 1 THR CB C -4.601 -12.243 -7.869 . . . 1.0 . . . . . . . . . . . . A . 1 THR CB . . . . . . . . . rr_1jzp 1
. 1 . 4 . 1 1 1 THR CG2 C -6.010 -12.797 -8.081 . . . 1.0 . . . . . . . . . . . . A . 1 THR CG2 . . . . . . . . . rr_1jzp 1
. 1 . 5 . 1 1 1 THR H1 H -2.701 -10.350 -8.101 . . . 1.0 . . . . . . . . . . . . A . 1 THR H1 . . . . . . . . . rr_1jzp 1
. 1 . 6 . 1 1 1 THR H2 H -2.885 -11.014 -6.548 . . . 1.0 . . . . . . . . . . . . A . 1 THR H2 . . . . . . . . . rr_1jzp 1
. 1 . 7 . 1 1 1 THR H3 H -3.282 -9.387 -6.832 . . . 1.0 . . . . . . . . . . . . A . 1 THR H3 . . . . . . . . . rr_1jzp 1
. 1 . 8 . 1 1 1 THR HA H -5.021 -10.214 -8.449 . . . 1.0 . . . . . . . . . . . . A . 1 THR HA . . . . . . . . . rr_1jzp 1
. 1 . 9 . 1 1 1 THR HB H -4.141 -12.751 -7.035 . . . 1.0 . . . . . . . . . . . . A . 1 THR HB . . . . . . . . . rr_1jzp 1
. 1 . 10 . 1 1 1 THR HG1 H -2.946 -12.103 -8.882 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG1 . . . . . . . . . rr_1jzp 1
. 1 . 11 . 1 1 1 THR HG21 H -6.073 -13.792 -7.666 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG21 . . . . . . . . . rr_1jzp 1
. 1 . 12 . 1 1 1 THR HG22 H -6.227 -12.833 -9.139 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG22 . . . . . . . . . rr_1jzp 1
. 1 . 13 . 1 1 1 THR HG23 H -6.727 -12.156 -7.589 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG23 . . . . . . . . . rr_1jzp 1
. 1 . 14 . 1 1 1 THR N N -3.281 -10.344 -7.238 . . . 1.0 . . . . . . . . . . . . A . 1 THR N . . . . . . . . . rr_1jzp 1
. 1 . 15 . 1 1 1 THR O O -6.066 -9.365 -6.187 . . . 1.0 . . . . . . . . . . . . A . 1 THR O . . . . . . . . . rr_1jzp 1
. 1 . 16 . 1 1 1 THR OG1 O -3.825 -12.454 -9.041 . . . 1.0 . . . . . . . . . . . . A . 1 THR OG1 . . . . . . . . . rr_1jzp 1
. 1 . 17 . 1 1 2 SER C C -6.214 -10.177 -3.509 . . . 1.0 . . . . . . . . . . . . A . 2 SER C . . . . . . . . . rr_1jzp 1
. 1 . 18 . 1 1 2 SER CA C -6.784 -11.265 -4.422 . . . 1.0 . . . . . . . . . . . . A . 2 SER CA . . . . . . . . . rr_1jzp 1
. 1 . 19 . 1 1 2 SER CB C -6.811 -12.612 -3.701 . . . 1.0 . . . . . . . . . . . . A . 2 SER CB . . . . . . . . . rr_1jzp 1
. 1 . 20 . 1 1 2 SER H H -5.507 -12.358 -5.770 . . . 1.0 . . . . . . . . . . . . A . 2 SER H . . . . . . . . . rr_1jzp 1
. 1 . 21 . 1 1 2 SER HA H -7.778 -11.002 -4.749 . . . 1.0 . . . . . . . . . . . . A . 2 SER HA . . . . . . . . . rr_1jzp 1
. 1 . 22 . 1 1 2 SER HB2 H -7.711 -13.143 -3.959 . . . 1.0 . . . . . . . . . . . . A . 2 SER HB2 . . . . . . . . . rr_1jzp 1
. 1 . 23 . 1 1 2 SER HB3 H -5.952 -13.197 -4.002 . . . 1.0 . . . . . . . . . . . . A . 2 SER HB3 . . . . . . . . . rr_1jzp 1
. 1 . 24 . 1 1 2 SER HG H -7.359 -11.651 -2.100 . . . 1.0 . . . . . . . . . . . . A . 2 SER HG . . . . . . . . . rr_1jzp 1
. 1 . 25 . 1 1 2 SER N N -5.887 -11.472 -5.595 . . . 1.0 . . . . . . . . . . . . A . 2 SER N . . . . . . . . . rr_1jzp 1
. 1 . 26 . 1 1 2 SER O O -6.917 -9.596 -2.705 . . . 1.0 . . . . . . . . . . . . A . 2 SER O . . . . . . . . . rr_1jzp 1
. 1 . 27 . 1 1 2 SER OG O -6.783 -12.394 -2.296 . . . 1.0 . . . . . . . . . . . . A . 2 SER OG . . . . . . . . . rr_1jzp 1
. 1 . 28 . 1 1 3 ALA C C -4.807 -7.457 -3.199 . . . 1.0 . . . . . . . . . . . . A . 3 ALA C . . . . . . . . . rr_1jzp 1
. 1 . 29 . 1 1 3 ALA CA C -4.330 -8.846 -2.765 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CA . . . . . . . . . rr_1jzp 1
. 1 . 30 . 1 1 3 ALA CB C -2.824 -8.987 -2.984 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CB . . . . . . . . . rr_1jzp 1
. 1 . 31 . 1 1 3 ALA H H -4.397 -10.376 -4.281 . . . 1.0 . . . . . . . . . . . . A . 3 ALA H . . . . . . . . . rr_1jzp 1
. 1 . 32 . 1 1 3 ALA HA H -4.569 -9.020 -1.728 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HA . . . . . . . . . rr_1jzp 1
. 1 . 33 . 1 1 3 ALA HB1 H -2.469 -8.165 -3.588 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB1 . . . . . . . . . rr_1jzp 1
. 1 . 34 . 1 1 3 ALA HB2 H -2.619 -9.919 -3.490 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB2 . . . . . . . . . rr_1jzp 1
. 1 . 35 . 1 1 3 ALA HB3 H -2.319 -8.977 -2.030 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB3 . . . . . . . . . rr_1jzp 1
. 1 . 36 . 1 1 3 ALA N N -4.946 -9.896 -3.627 . . . 1.0 . . . . . . . . . . . . A . 3 ALA N . . . . . . . . . rr_1jzp 1
. 1 . 37 . 1 1 3 ALA O O -4.894 -6.544 -2.402 . . . 1.0 . . . . . . . . . . . . A . 3 ALA O . . . . . . . . . rr_1jzp 1
. 1 . 38 . 1 1 4 GLN C C -6.804 -5.505 -4.128 . . . 1.0 . . . . . . . . . . . . A . 4 GLN C . . . . . . . . . rr_1jzp 1
. 1 . 39 . 1 1 4 GLN CA C -5.585 -5.959 -4.935 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CA . . . . . . . . . rr_1jzp 1
. 1 . 40 . 1 1 4 GLN CB C -5.961 -6.175 -6.402 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CB . . . . . . . . . rr_1jzp 1
. 1 . 41 . 1 1 4 GLN CD C -7.390 -7.613 -7.861 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CD . . . . . . . . . rr_1jzp 1
. 1 . 42 . 1 1 4 GLN CG C -7.273 -6.957 -6.484 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CG . . . . . . . . . rr_1jzp 1
. 1 . 43 . 1 1 4 GLN H H -5.038 -8.039 -5.083 . . . 1.0 . . . . . . . . . . . . A . 4 GLN H . . . . . . . . . rr_1jzp 1
. 1 . 44 . 1 1 4 GLN HA H -4.792 -5.231 -4.862 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HA . . . . . . . . . rr_1jzp 1
. 1 . 45 . 1 1 4 GLN HB2 H -6.080 -5.217 -6.887 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB2 . . . . . . . . . rr_1jzp 1
. 1 . 46 . 1 1 4 GLN HB3 H -5.180 -6.734 -6.895 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB3 . . . . . . . . . rr_1jzp 1
. 1 . 47 . 1 1 4 GLN HE21 H -5.551 -8.360 -7.816 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE21 . . . . . . . . . rr_1jzp 1
. 1 . 48 . 1 1 4 GLN HE22 H -6.441 -8.706 -9.220 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE22 . . . . . . . . . rr_1jzp 1
. 1 . 49 . 1 1 4 GLN HG2 H -7.287 -7.718 -5.718 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG2 . . . . . . . . . rr_1jzp 1
. 1 . 50 . 1 1 4 GLN HG3 H -8.104 -6.283 -6.338 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG3 . . . . . . . . . rr_1jzp 1
. 1 . 51 . 1 1 4 GLN N N -5.116 -7.290 -4.455 . . . 1.0 . . . . . . . . . . . . A . 4 GLN N . . . . . . . . . rr_1jzp 1
. 1 . 52 . 1 1 4 GLN NE2 N -6.376 -8.282 -8.338 . . . 1.0 . . . . . . . . . . . . A . 4 GLN NE2 . . . . . . . . . rr_1jzp 1
. 1 . 53 . 1 1 4 GLN O O -7.170 -4.346 -4.137 . . . 1.0 . . . . . . . . . . . . A . 4 GLN O . . . . . . . . . rr_1jzp 1
. 1 . 54 . 1 1 4 GLN OE1 O -8.413 -7.517 -8.508 . . . 1.0 . . . . . . . . . . . . A . 4 GLN OE1 . . . . . . . . . rr_1jzp 1
. 1 . 55 . 1 1 5 LYS C C -8.204 -5.582 -1.221 . . . 1.0 . . . . . . . . . . . . A . 5 LYS C . . . . . . . . . rr_1jzp 1
. 1 . 56 . 1 1 5 LYS CA C -8.630 -6.028 -2.622 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CA . . . . . . . . . rr_1jzp 1
. 1 . 57 . 1 1 5 LYS CB C -9.478 -7.298 -2.546 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CB . . . . . . . . . rr_1jzp 1
. 1 . 58 . 1 1 5 LYS CD C -10.501 -7.205 -4.823 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CD . . . . . . . . . rr_1jzp 1
. 1 . 59 . 1 1 5 LYS CE C -10.218 -5.815 -5.399 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CE . . . . . . . . . rr_1jzp 1
. 1 . 60 . 1 1 5 LYS CG C -10.779 -7.092 -3.324 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CG . . . . . . . . . rr_1jzp 1
. 1 . 61 . 1 1 5 LYS H H -7.125 -7.338 -3.435 . . . 1.0 . . . . . . . . . . . . A . 5 LYS H . . . . . . . . . rr_1jzp 1
. 1 . 62 . 1 1 5 LYS HA H -9.184 -5.244 -3.114 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HA . . . . . . . . . rr_1jzp 1
. 1 . 63 . 1 1 5 LYS HB2 H -8.929 -8.124 -2.975 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB2 . . . . . . . . . rr_1jzp 1
. 1 . 64 . 1 1 5 LYS HB3 H -9.709 -7.516 -1.514 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB3 . . . . . . . . . rr_1jzp 1
. 1 . 65 . 1 1 5 LYS HD2 H -9.642 -7.843 -4.982 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD2 . . . . . . . . . rr_1jzp 1
. 1 . 66 . 1 1 5 LYS HD3 H -11.361 -7.630 -5.318 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD3 . . . . . . . . . rr_1jzp 1
. 1 . 67 . 1 1 5 LYS HE2 H -9.330 -5.396 -4.947 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE2 . . . . . . . . . rr_1jzp 1
. 1 . 68 . 1 1 5 LYS HE3 H -10.108 -5.867 -6.471 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE3 . . . . . . . . . rr_1jzp 1
. 1 . 69 . 1 1 5 LYS HG2 H -11.496 -7.845 -3.031 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG2 . . . . . . . . . rr_1jzp 1
. 1 . 70 . 1 1 5 LYS HG3 H -11.177 -6.112 -3.106 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG3 . . . . . . . . . rr_1jzp 1
. 1 . 71 . 1 1 5 LYS HZ1 H -11.232 -4.474 -4.171 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ1 . . . . . . . . . rr_1jzp 1
. 1 . 72 . 1 1 5 LYS HZ2 H -12.233 -5.632 -4.908 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ2 . . . . . . . . . rr_1jzp 1
. 1 . 73 . 1 1 5 LYS HZ3 H -11.620 -4.334 -5.817 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ3 . . . . . . . . . rr_1jzp 1
. 1 . 74 . 1 1 5 LYS N N -7.436 -6.409 -3.429 . . . 1.0 . . . . . . . . . . . . A . 5 LYS N . . . . . . . . . rr_1jzp 1
. 1 . 75 . 1 1 5 LYS NZ N -11.416 -5.003 -5.047 . . . 1.0 . . . . . . . . . . . . A . 5 LYS NZ . . . . . . . . . rr_1jzp 1
. 1 . 76 . 1 1 5 LYS O O -8.933 -5.737 -0.262 . . . 1.0 . . . . . . . . . . . . A . 5 LYS O . . . . . . . . . rr_1jzp 1
. 1 . 77 . 1 1 6 ALA C C -5.147 -3.993 0.135 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_1jzp 1
. 1 . 78 . 1 1 6 ALA CA C -6.558 -4.574 0.238 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_1jzp 1
. 1 . 79 . 1 1 6 ALA CB C -6.560 -5.832 1.101 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_1jzp 1
. 1 . 80 . 1 1 6 ALA H H -6.457 -4.912 -1.873 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_1jzp 1
. 1 . 81 . 1 1 6 ALA HA H -7.235 -3.849 0.639 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_1jzp 1
. 1 . 82 . 1 1 6 ALA HB1 H -5.709 -5.815 1.765 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_1jzp 1
. 1 . 83 . 1 1 6 ALA HB2 H -6.502 -6.702 0.463 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_1jzp 1
. 1 . 84 . 1 1 6 ALA HB3 H -7.470 -5.870 1.681 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_1jzp 1
. 1 . 85 . 1 1 6 ALA N N -7.028 -5.029 -1.095 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_1jzp 1
. 1 . 86 . 1 1 6 ALA O O -4.853 -2.948 0.680 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_1jzp 1
. 1 . 87 . 1 1 7 LYS C C -2.888 -2.651 -0.980 . . . 1.0 . . . . . . . . . . . . A . 7 LYS C . . . . . . . . . rr_1jzp 1
. 1 . 88 . 1 1 7 LYS CA C -2.878 -4.155 -0.699 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CA . . . . . . . . . rr_1jzp 1
. 1 . 89 . 1 1 7 LYS CB C -2.295 -4.919 -1.888 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CB . . . . . . . . . rr_1jzp 1
. 1 . 90 . 1 1 7 LYS CD C -1.029 -6.991 -1.296 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CD . . . . . . . . . rr_1jzp 1
. 1 . 91 . 1 1 7 LYS CE C -2.212 -7.294 -0.373 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CE . . . . . . . . . rr_1jzp 1
. 1 . 92 . 1 1 7 LYS CG C -0.922 -5.480 -1.511 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CG . . . . . . . . . rr_1jzp 1
. 1 . 93 . 1 1 7 LYS H H -4.535 -5.503 -0.988 . . . 1.0 . . . . . . . . . . . . A . 7 LYS H . . . . . . . . . rr_1jzp 1
. 1 . 94 . 1 1 7 LYS HA H -2.310 -4.367 0.190 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HA . . . . . . . . . rr_1jzp 1
. 1 . 95 . 1 1 7 LYS HB2 H -2.956 -5.732 -2.153 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB2 . . . . . . . . . rr_1jzp 1
. 1 . 96 . 1 1 7 LYS HB3 H -2.189 -4.251 -2.729 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB3 . . . . . . . . . rr_1jzp 1
. 1 . 97 . 1 1 7 LYS HD2 H -1.179 -7.480 -2.248 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD2 . . . . . . . . . rr_1jzp 1
. 1 . 98 . 1 1 7 LYS HD3 H -0.119 -7.356 -0.843 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD3 . . . . . . . . . rr_1jzp 1
. 1 . 99 . 1 1 7 LYS HE2 H -2.326 -6.507 0.360 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE2 . . . . . . . . . rr_1jzp 1
. 1 . 100 . 1 1 7 LYS HE3 H -3.118 -7.409 -0.948 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE3 . . . . . . . . . rr_1jzp 1
. 1 . 101 . 1 1 7 LYS HG2 H -0.220 -5.278 -2.307 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG2 . . . . . . . . . rr_1jzp 1
. 1 . 102 . 1 1 7 LYS HG3 H -0.580 -5.012 -0.600 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG3 . . . . . . . . . rr_1jzp 1
. 1 . 103 . 1 1 7 LYS HZ1 H -2.328 -9.366 -0.207 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ1 . . . . . . . . . rr_1jzp 1
. 1 . 104 . 1 1 7 LYS HZ2 H -2.185 -8.558 1.281 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ2 . . . . . . . . . rr_1jzp 1
. 1 . 105 . 1 1 7 LYS HZ3 H -0.833 -8.718 0.264 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ3 . . . . . . . . . rr_1jzp 1
. 1 . 106 . 1 1 7 LYS N N -4.273 -4.664 -0.559 . . . 1.0 . . . . . . . . . . . . A . 7 LYS N . . . . . . . . . rr_1jzp 1
. 1 . 107 . 1 1 7 LYS NZ N -1.863 -8.581 0.291 . . . 1.0 . . . . . . . . . . . . A . 7 LYS NZ . . . . . . . . . rr_1jzp 1
. 1 . 108 . 1 1 7 LYS O O -2.065 -1.910 -0.480 . . . 1.0 . . . . . . . . . . . . A . 7 LYS O . . . . . . . . . rr_1jzp 1
. 1 . 109 . 1 1 8 ALA C C -3.985 0.071 -0.798 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_1jzp 1
. 1 . 110 . 1 1 8 ALA CA C -3.877 -0.741 -2.090 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_1jzp 1
. 1 . 111 . 1 1 8 ALA CB C -5.137 -0.572 -2.940 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_1jzp 1
. 1 . 112 . 1 1 8 ALA H H -4.465 -2.813 -2.168 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_1jzp 1
. 1 . 113 . 1 1 8 ALA HA H -3.009 -0.439 -2.654 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_1jzp 1
. 1 . 114 . 1 1 8 ALA HB1 H -5.998 -0.894 -2.374 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_1jzp 1
. 1 . 115 . 1 1 8 ALA HB2 H -5.050 -1.169 -3.835 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_1jzp 1
. 1 . 116 . 1 1 8 ALA HB3 H -5.252 0.467 -3.210 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_1jzp 1
. 1 . 117 . 1 1 8 ALA N N -3.812 -2.197 -1.777 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_1jzp 1
. 1 . 118 . 1 1 8 ALA O O -3.550 1.203 -0.725 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_1jzp 1
. 1 . 119 . 1 1 9 GLU C C -3.470 -0.024 2.395 . . . 1.0 . . . . . . . . . . . . A . 9 GLU C . . . . . . . . . rr_1jzp 1
. 1 . 120 . 1 1 9 GLU CA C -4.695 0.234 1.513 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CA . . . . . . . . . rr_1jzp 1
. 1 . 121 . 1 1 9 GLU CB C -5.955 -0.338 2.163 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CB . . . . . . . . . rr_1jzp 1
. 1 . 122 . 1 1 9 GLU CD C -7.197 -0.606 4.315 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CD . . . . . . . . . rr_1jzp 1
. 1 . 123 . 1 1 9 GLU CG C -5.989 0.050 3.643 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CG . . . . . . . . . rr_1jzp 1
. 1 . 124 . 1 1 9 GLU H H -4.902 -1.416 0.143 . . . 1.0 . . . . . . . . . . . . A . 9 GLU H . . . . . . . . . rr_1jzp 1
. 1 . 125 . 1 1 9 GLU HA H -4.818 1.291 1.335 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HA . . . . . . . . . rr_1jzp 1
. 1 . 126 . 1 1 9 GLU HB2 H -6.828 0.060 1.666 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB2 . . . . . . . . . rr_1jzp 1
. 1 . 127 . 1 1 9 GLU HB3 H -5.949 -1.414 2.076 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB3 . . . . . . . . . rr_1jzp 1
. 1 . 128 . 1 1 9 GLU HG2 H -5.082 -0.286 4.124 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG2 . . . . . . . . . rr_1jzp 1
. 1 . 129 . 1 1 9 GLU HG3 H -6.069 1.123 3.732 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG3 . . . . . . . . . rr_1jzp 1
. 1 . 130 . 1 1 9 GLU N N -4.560 -0.501 0.223 . . . 1.0 . . . . . . . . . . . . A . 9 GLU N . . . . . . . . . rr_1jzp 1
. 1 . 131 . 1 1 9 GLU O O -3.130 0.768 3.251 . . . 1.0 . . . . . . . . . . . . A . 9 GLU O . . . . . . . . . rr_1jzp 1
. 1 . 132 . 1 1 9 GLU OE1 O -8.267 -0.022 4.266 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE1 . . . . . . . . . rr_1jzp 1
. 1 . 133 . 1 1 9 GLU OE2 O -7.032 -1.682 4.866 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE2 . . . . . . . . . rr_1jzp 1
. 1 . 134 . 1 1 10 GLU C C -0.491 -0.427 2.733 . . . 1.0 . . . . . . . . . . . . A . 10 GLU C . . . . . . . . . rr_1jzp 1
. 1 . 135 . 1 1 10 GLU CA C -1.603 -1.440 3.015 . . . 1.0 . . . . . . . . . . . . A . 10 GLU CA . . . . . . . . . rr_1jzp 1
. 1 . 136 . 1 1 10 GLU CB C -1.175 -2.841 2.576 . . . 1.0 . . . . . . . . . . . . A . 10 GLU CB . . . . . . . . . rr_1jzp 1
. 1 . 137 . 1 1 10 GLU CD C 0.466 -4.662 3.063 . . . 1.0 . . . . . . . . . . . . A . 10 GLU CD . . . . . . . . . rr_1jzp 1
. 1 . 138 . 1 1 10 GLU CG C 0.206 -3.157 3.155 . . . 1.0 . . . . . . . . . . . . A . 10 GLU CG . . . . . . . . . rr_1jzp 1
. 1 . 139 . 1 1 10 GLU H H -3.098 -1.754 1.495 . . . 1.0 . . . . . . . . . . . . A . 10 GLU H . . . . . . . . . rr_1jzp 1
. 1 . 140 . 1 1 10 GLU HA H -1.854 -1.443 4.063 . . . 1.0 . . . . . . . . . . . . A . 10 GLU HA . . . . . . . . . rr_1jzp 1
. 1 . 141 . 1 1 10 GLU HB2 H -1.891 -3.565 2.935 . . . 1.0 . . . . . . . . . . . . A . 10 GLU HB2 . . . . . . . . . rr_1jzp 1
. 1 . 142 . 1 1 10 GLU HB3 H -1.129 -2.883 1.498 . . . 1.0 . . . . . . . . . . . . A . 10 GLU HB3 . . . . . . . . . rr_1jzp 1
. 1 . 143 . 1 1 10 GLU HG2 H 0.961 -2.626 2.594 . . . 1.0 . . . . . . . . . . . . A . 10 GLU HG2 . . . . . . . . . rr_1jzp 1
. 1 . 144 . 1 1 10 GLU HG3 H 0.242 -2.851 4.189 . . . 1.0 . . . . . . . . . . . . A . 10 GLU HG3 . . . . . . . . . rr_1jzp 1
. 1 . 145 . 1 1 10 GLU N N -2.806 -1.129 2.190 . . . 1.0 . . . . . . . . . . . . A . 10 GLU N . . . . . . . . . rr_1jzp 1
. 1 . 146 . 1 1 10 GLU O O 0.365 -0.184 3.561 . . . 1.0 . . . . . . . . . . . . A . 10 GLU O . . . . . . . . . rr_1jzp 1
. 1 . 147 . 1 1 10 GLU OE1 O -0.388 -5.360 2.542 . . . 1.0 . . . . . . . . . . . . A . 10 GLU OE1 . . . . . . . . . rr_1jzp 1
. 1 . 148 . 1 1 10 GLU OE2 O 1.515 -5.091 3.515 . . . 1.0 . . . . . . . . . . . . A . 10 GLU OE2 . . . . . . . . . rr_1jzp 1
. 1 . 149 . 1 1 11 ARG C C 0.230 2.515 1.878 . . . 1.0 . . . . . . . . . . . . A . 11 ARG C . . . . . . . . . rr_1jzp 1
. 1 . 150 . 1 1 11 ARG CA C 0.563 1.164 1.240 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CA . . . . . . . . . rr_1jzp 1
. 1 . 151 . 1 1 11 ARG CB C 0.545 1.270 -0.285 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CB . . . . . . . . . rr_1jzp 1
. 1 . 152 . 1 1 11 ARG CD C 2.118 1.819 -2.149 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CD . . . . . . . . . rr_1jzp 1
. 1 . 153 . 1 1 11 ARG CG C 1.960 1.063 -0.828 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CG . . . . . . . . . rr_1jzp 1
. 1 . 154 . 1 1 11 ARG CZ C 0.665 0.261 -3.300 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CZ . . . . . . . . . rr_1jzp 1
. 1 . 155 . 1 1 11 ARG H H -1.194 -0.043 0.917 . . . 1.0 . . . . . . . . . . . . A . 11 ARG H . . . . . . . . . rr_1jzp 1
. 1 . 156 . 1 1 11 ARG HA H 1.527 0.815 1.575 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HA . . . . . . . . . rr_1jzp 1
. 1 . 157 . 1 1 11 ARG HB2 H -0.112 0.514 -0.690 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB2 . . . . . . . . . rr_1jzp 1
. 1 . 158 . 1 1 11 ARG HB3 H 0.190 2.248 -0.574 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB3 . . . . . . . . . rr_1jzp 1
. 1 . 159 . 1 1 11 ARG HD2 H 2.177 2.884 -1.966 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD2 . . . . . . . . . rr_1jzp 1
. 1 . 160 . 1 1 11 ARG HD3 H 2.994 1.478 -2.676 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD3 . . . . . . . . . rr_1jzp 1
. 1 . 161 . 1 1 11 ARG HE H 0.257 2.199 -3.165 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HE . . . . . . . . . rr_1jzp 1
. 1 . 162 . 1 1 11 ARG HG2 H 2.678 1.434 -0.111 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG2 . . . . . . . . . rr_1jzp 1
. 1 . 163 . 1 1 11 ARG HG3 H 2.130 0.010 -0.996 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG3 . . . . . . . . . rr_1jzp 1
. 1 . 164 . 1 1 11 ARG HH11 H 2.601 -0.245 -3.348 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH11 . . . . . . . . . rr_1jzp 1
. 1 . 165 . 1 1 11 ARG HH12 H 1.488 -1.503 -3.771 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH12 . . . . . . . . . rr_1jzp 1
. 1 . 166 . 1 1 11 ARG HH21 H -1.325 0.479 -3.336 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH21 . . . . . . . . . rr_1jzp 1
. 1 . 167 . 1 1 11 ARG HH22 H -0.736 -1.093 -3.765 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH22 . . . . . . . . . rr_1jzp 1
. 1 . 168 . 1 1 11 ARG N N -0.495 0.166 1.571 . . . 1.0 . . . . . . . . . . . . A . 11 ARG N . . . . . . . . . rr_1jzp 1
. 1 . 169 . 1 1 11 ARG NE N 0.892 1.491 -2.929 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NE . . . . . . . . . rr_1jzp 1
. 1 . 170 . 1 1 11 ARG NH1 N 1.662 -0.559 -3.488 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH1 . . . . . . . . . rr_1jzp 1
. 1 . 171 . 1 1 11 ARG NH2 N -0.561 -0.150 -3.481 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH2 . . . . . . . . . rr_1jzp 1
. 1 . 172 . 1 1 11 ARG O O 1.106 3.295 2.196 . . . 1.0 . . . . . . . . . . . . A . 11 ARG O . . . . . . . . . rr_1jzp 1
. 1 . 173 . 1 1 12 LYS C C -0.650 4.308 3.996 . . . 1.0 . . . . . . . . . . . . A . 12 LYS C . . . . . . . . . rr_1jzp 1
. 1 . 174 . 1 1 12 LYS CA C -1.417 4.097 2.688 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CA . . . . . . . . . rr_1jzp 1
. 1 . 175 . 1 1 12 LYS CB C -2.917 3.975 2.961 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CB . . . . . . . . . rr_1jzp 1
. 1 . 176 . 1 1 12 LYS CD C -5.193 4.672 2.203 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CD . . . . . . . . . rr_1jzp 1
. 1 . 177 . 1 1 12 LYS CE C -5.736 6.057 2.560 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CE . . . . . . . . . rr_1jzp 1
. 1 . 178 . 1 1 12 LYS CG C -3.695 4.769 1.910 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CG . . . . . . . . . rr_1jzp 1
. 1 . 179 . 1 1 12 LYS H H -1.721 2.154 1.807 . . . 1.0 . . . . . . . . . . . . A . 12 LYS H . . . . . . . . . rr_1jzp 1
. 1 . 180 . 1 1 12 LYS HA H -1.232 4.911 2.005 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HA . . . . . . . . . rr_1jzp 1
. 1 . 181 . 1 1 12 LYS HB2 H -3.206 2.935 2.915 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HB2 . . . . . . . . . rr_1jzp 1
. 1 . 182 . 1 1 12 LYS HB3 H -3.137 4.368 3.942 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HB3 . . . . . . . . . rr_1jzp 1
. 1 . 183 . 1 1 12 LYS HD2 H -5.706 4.297 1.329 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HD2 . . . . . . . . . rr_1jzp 1
. 1 . 184 . 1 1 12 LYS HD3 H -5.355 3.999 3.032 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HD3 . . . . . . . . . rr_1jzp 1
. 1 . 185 . 1 1 12 LYS HE2 H -5.541 6.754 1.757 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HE2 . . . . . . . . . rr_1jzp 1
. 1 . 186 . 1 1 12 LYS HE3 H -6.794 6.005 2.767 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HE3 . . . . . . . . . rr_1jzp 1
. 1 . 187 . 1 1 12 LYS HG2 H -3.387 5.804 1.942 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HG2 . . . . . . . . . rr_1jzp 1
. 1 . 188 . 1 1 12 LYS HG3 H -3.494 4.363 0.930 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HG3 . . . . . . . . . rr_1jzp 1
. 1 . 189 . 1 1 12 LYS HZ1 H -5.412 7.323 4.180 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HZ1 . . . . . . . . . rr_1jzp 1
. 1 . 190 . 1 1 12 LYS HZ2 H -3.996 6.627 3.550 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HZ2 . . . . . . . . . rr_1jzp 1
. 1 . 191 . 1 1 12 LYS HZ3 H -5.058 5.695 4.494 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HZ3 . . . . . . . . . rr_1jzp 1
. 1 . 192 . 1 1 12 LYS N N -1.030 2.797 2.069 . . . 1.0 . . . . . . . . . . . . A . 12 LYS N . . . . . . . . . rr_1jzp 1
. 1 . 193 . 1 1 12 LYS NZ N -4.995 6.456 3.789 . . . 1.0 . . . . . . . . . . . . A . 12 LYS NZ . . . . . . . . . rr_1jzp 1
. 1 . 194 . 1 1 12 LYS O O -0.502 5.417 4.470 . . . 1.0 . . . . . . . . . . . . A . 12 LYS O . . . . . . . . . rr_1jzp 1
. 1 . 195 . 1 1 13 ARG C C 2.097 3.492 5.579 . . . 1.0 . . . . . . . . . . . . A . 13 ARG C . . . . . . . . . rr_1jzp 1
. 1 . 196 . 1 1 13 ARG CA C 0.596 3.388 5.861 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CA . . . . . . . . . rr_1jzp 1
. 1 . 197 . 1 1 13 ARG CB C 0.284 2.112 6.643 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CB . . . . . . . . . rr_1jzp 1
. 1 . 198 . 1 1 13 ARG CD C -1.747 1.027 5.671 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CD . . . . . . . . . rr_1jzp 1
. 1 . 199 . 1 1 13 ARG CG C -1.232 1.952 6.776 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CG . . . . . . . . . rr_1jzp 1
. 1 . 200 . 1 1 13 ARG CZ C -1.317 -0.861 7.124 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CZ . . . . . . . . . rr_1jzp 1
. 1 . 201 . 1 1 13 ARG H H -0.292 2.365 4.185 . . . 1.0 . . . . . . . . . . . . A . 13 ARG H . . . . . . . . . rr_1jzp 1
. 1 . 202 . 1 1 13 ARG HA H 0.254 4.250 6.411 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HA . . . . . . . . . rr_1jzp 1
. 1 . 203 . 1 1 13 ARG HB2 H 0.693 1.260 6.119 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HB2 . . . . . . . . . rr_1jzp 1
. 1 . 204 . 1 1 13 ARG HB3 H 0.725 2.175 7.627 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HB3 . . . . . . . . . rr_1jzp 1
. 1 . 205 . 1 1 13 ARG HD2 H -2.589 1.480 5.165 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HD2 . . . . . . . . . rr_1jzp 1
. 1 . 206 . 1 1 13 ARG HD3 H -0.959 0.804 4.968 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HD3 . . . . . . . . . rr_1jzp 1
. 1 . 207 . 1 1 13 ARG HE H -3.085 -0.548 6.276 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HE . . . . . . . . . rr_1jzp 1
. 1 . 208 . 1 1 13 ARG HG2 H -1.465 1.526 7.741 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HG2 . . . . . . . . . rr_1jzp 1
. 1 . 209 . 1 1 13 ARG HG3 H -1.705 2.917 6.684 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HG3 . . . . . . . . . rr_1jzp 1
. 1 . 210 . 1 1 13 ARG HH11 H -0.021 -1.187 5.634 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH11 . . . . . . . . . rr_1jzp 1
. 1 . 211 . 1 1 13 ARG HH12 H 0.439 -1.820 7.179 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH12 . . . . . . . . . rr_1jzp 1
. 1 . 212 . 1 1 13 ARG HH21 H -2.414 -0.685 8.789 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH21 . . . . . . . . . rr_1jzp 1
. 1 . 213 . 1 1 13 ARG HH22 H -0.916 -1.536 8.965 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH22 . . . . . . . . . rr_1jzp 1
. 1 . 214 . 1 1 13 ARG N N -0.161 3.250 4.584 . . . 1.0 . . . . . . . . . . . . A . 13 ARG N . . . . . . . . . rr_1jzp 1
. 1 . 215 . 1 1 13 ARG NE N -2.169 -0.215 6.375 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NE . . . . . . . . . rr_1jzp 1
. 1 . 216 . 1 1 13 ARG NH1 N -0.214 -1.325 6.605 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NH1 . . . . . . . . . rr_1jzp 1
. 1 . 217 . 1 1 13 ARG NH2 N -1.569 -1.042 8.391 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NH2 . . . . . . . . . rr_1jzp 1
. 1 . 218 . 1 1 13 ARG O O 2.850 4.035 6.363 . . . 1.0 . . . . . . . . . . . . A . 13 ARG O . . . . . . . . . rr_1jzp 1
. 1 . 219 . 1 1 14 ARG C C 4.288 4.309 3.319 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . rr_1jzp 1
. 1 . 220 . 1 1 14 ARG CA C 3.991 3.047 4.133 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . rr_1jzp 1
. 1 . 221 . 1 1 14 ARG CB C 4.268 1.796 3.299 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . rr_1jzp 1
. 1 . 222 . 1 1 14 ARG CD C 5.222 -0.417 3.960 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . rr_1jzp 1
. 1 . 223 . 1 1 14 ARG CG C 4.052 0.550 4.159 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . rr_1jzp 1
. 1 . 224 . 1 1 14 ARG CZ C 4.802 -2.543 2.878 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . rr_1jzp 1
. 1 . 225 . 1 1 14 ARG H H 1.915 2.543 3.844 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . rr_1jzp 1
. 1 . 226 . 1 1 14 ARG HA H 4.584 3.030 5.032 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . rr_1jzp 1
. 1 . 227 . 1 1 14 ARG HB2 H 3.596 1.772 2.453 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB2 . . . . . . . . . rr_1jzp 1
. 1 . 228 . 1 1 14 ARG HB3 H 5.289 1.817 2.948 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . rr_1jzp 1
. 1 . 229 . 1 1 14 ARG HD2 H 6.132 0.132 3.761 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD2 . . . . . . . . . rr_1jzp 1
. 1 . 230 . 1 1 14 ARG HD3 H 5.342 -1.047 4.827 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . rr_1jzp 1
. 1 . 231 . 1 1 14 ARG HE H 4.620 -0.808 1.929 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . rr_1jzp 1
. 1 . 232 . 1 1 14 ARG HG2 H 3.994 0.837 5.199 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG2 . . . . . . . . . rr_1jzp 1
. 1 . 233 . 1 1 14 ARG HG3 H 3.133 0.065 3.866 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . rr_1jzp 1
. 1 . 234 . 1 1 14 ARG HH11 H 6.432 -2.657 4.034 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . rr_1jzp 1
. 1 . 235 . 1 1 14 ARG HH12 H 5.677 -4.169 3.651 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . rr_1jzp 1
. 1 . 236 . 1 1 14 ARG HH21 H 3.162 -2.732 1.744 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . rr_1jzp 1
. 1 . 237 . 1 1 14 ARG HH22 H 3.826 -4.211 2.355 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . rr_1jzp 1
. 1 . 238 . 1 1 14 ARG N N 2.538 2.977 4.464 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . rr_1jzp 1
. 1 . 239 . 1 1 14 ARG NE N 4.841 -1.242 2.779 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . rr_1jzp 1
. 1 . 240 . 1 1 14 ARG NH1 N 5.708 -3.172 3.575 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . rr_1jzp 1
. 1 . 241 . 1 1 14 ARG NH2 N 3.856 -3.214 2.279 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . rr_1jzp 1
. 1 . 242 . 1 1 14 ARG O O 5.371 4.856 3.375 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . rr_1jzp 1
. 1 . 243 . 1 1 15 LYS C C 3.646 7.233 2.644 . . . 1.0 . . . . . . . . . . . . A . 15 LYS C . . . . . . . . . rr_1jzp 1
. 1 . 244 . 1 1 15 LYS CA C 3.559 5.998 1.742 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CA . . . . . . . . . rr_1jzp 1
. 1 . 245 . 1 1 15 LYS CB C 2.340 6.088 0.825 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CB . . . . . . . . . rr_1jzp 1
. 1 . 246 . 1 1 15 LYS CD C 1.819 6.054 -1.618 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CD . . . . . . . . . rr_1jzp 1
. 1 . 247 . 1 1 15 LYS CE C 2.266 7.504 -1.817 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CE . . . . . . . . . rr_1jzp 1
. 1 . 248 . 1 1 15 LYS CG C 2.654 5.410 -0.510 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CG . . . . . . . . . rr_1jzp 1
. 1 . 249 . 1 1 15 LYS H H 2.468 4.315 2.532 . . . 1.0 . . . . . . . . . . . . A . 15 LYS H . . . . . . . . . rr_1jzp 1
. 1 . 250 . 1 1 15 LYS HA H 4.457 5.897 1.153 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HA . . . . . . . . . rr_1jzp 1
. 1 . 251 . 1 1 15 LYS HB2 H 1.501 5.594 1.293 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HB2 . . . . . . . . . rr_1jzp 1
. 1 . 252 . 1 1 15 LYS HB3 H 2.097 7.125 0.651 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HB3 . . . . . . . . . rr_1jzp 1
. 1 . 253 . 1 1 15 LYS HD2 H 1.956 5.504 -2.538 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HD2 . . . . . . . . . rr_1jzp 1
. 1 . 254 . 1 1 15 LYS HD3 H 0.776 6.036 -1.339 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HD3 . . . . . . . . . rr_1jzp 1
. 1 . 255 . 1 1 15 LYS HE2 H 1.984 8.103 -0.962 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HE2 . . . . . . . . . rr_1jzp 1
. 1 . 256 . 1 1 15 LYS HE3 H 3.332 7.551 -1.976 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HE3 . . . . . . . . . rr_1jzp 1
. 1 . 257 . 1 1 15 LYS HG2 H 3.704 5.527 -0.735 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HG2 . . . . . . . . . rr_1jzp 1
. 1 . 258 . 1 1 15 LYS HG3 H 2.413 4.359 -0.445 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HG3 . . . . . . . . . rr_1jzp 1
. 1 . 259 . 1 1 15 LYS HZ1 H 1.836 7.383 -3.850 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HZ1 . . . . . . . . . rr_1jzp 1
. 1 . 260 . 1 1 15 LYS HZ2 H 1.782 8.961 -3.221 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HZ2 . . . . . . . . . rr_1jzp 1
. 1 . 261 . 1 1 15 LYS HZ3 H 0.522 7.869 -2.893 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HZ3 . . . . . . . . . rr_1jzp 1
. 1 . 262 . 1 1 15 LYS N N 3.333 4.773 2.562 . . . 1.0 . . . . . . . . . . . . A . 15 LYS N . . . . . . . . . rr_1jzp 1
. 1 . 263 . 1 1 15 LYS NZ N 1.547 7.964 -3.037 . . . 1.0 . . . . . . . . . . . . A . 15 LYS NZ . . . . . . . . . rr_1jzp 1
. 1 . 264 . 1 1 15 LYS O O 4.374 8.165 2.366 . . . 1.0 . . . . . . . . . . . . A . 15 LYS O . . . . . . . . . rr_1jzp 1
. 1 . 265 . 1 1 16 MET C C 4.385 8.911 4.815 . . . 1.0 . . . . . . . . . . . . A . 16 MET C . . . . . . . . . rr_1jzp 1
. 1 . 266 . 1 1 16 MET CA C 2.945 8.422 4.635 . . . 1.0 . . . . . . . . . . . . A . 16 MET CA . . . . . . . . . rr_1jzp 1
. 1 . 267 . 1 1 16 MET CB C 2.382 7.910 5.961 . . . 1.0 . . . . . . . . . . . . A . 16 MET CB . . . . . . . . . rr_1jzp 1
. 1 . 268 . 1 1 16 MET CE C 1.736 11.089 7.967 . . . 1.0 . . . . . . . . . . . . A . 16 MET CE . . . . . . . . . rr_1jzp 1
. 1 . 269 . 1 1 16 MET CG C 1.303 8.871 6.463 . . . 1.0 . . . . . . . . . . . . A . 16 MET CG . . . . . . . . . rr_1jzp 1
. 1 . 270 . 1 1 16 MET H H 2.325 6.488 3.924 . . . 1.0 . . . . . . . . . . . . A . 16 MET H . . . . . . . . . rr_1jzp 1
. 1 . 271 . 1 1 16 MET HA H 2.323 9.213 4.253 . . . 1.0 . . . . . . . . . . . . A . 16 MET HA . . . . . . . . . rr_1jzp 1
. 1 . 272 . 1 1 16 MET HB2 H 1.953 6.929 5.815 . . . 1.0 . . . . . . . . . . . . A . 16 MET HB2 . . . . . . . . . rr_1jzp 1
. 1 . 273 . 1 1 16 MET HB3 H 3.176 7.850 6.691 . . . 1.0 . . . . . . . . . . . . A . 16 MET HB3 . . . . . . . . . rr_1jzp 1
. 1 . 274 . 1 1 16 MET HE1 H 2.772 11.396 8.008 . . . 1.0 . . . . . . . . . . . . A . 16 MET HE1 . . . . . . . . . rr_1jzp 1
. 1 . 275 . 1 1 16 MET HE2 H 1.186 11.585 8.751 . . . 1.0 . . . . . . . . . . . . A . 16 MET HE2 . . . . . . . . . rr_1jzp 1
. 1 . 276 . 1 1 16 MET HE3 H 1.313 11.356 7.008 . . . 1.0 . . . . . . . . . . . . A . 16 MET HE3 . . . . . . . . . rr_1jzp 1
. 1 . 277 . 1 1 16 MET HG2 H 1.314 9.769 5.864 . . . 1.0 . . . . . . . . . . . . A . 16 MET HG2 . . . . . . . . . rr_1jzp 1
. 1 . 278 . 1 1 16 MET HG3 H 0.335 8.398 6.387 . . . 1.0 . . . . . . . . . . . . A . 16 MET HG3 . . . . . . . . . rr_1jzp 1
. 1 . 279 . 1 1 16 MET N N 2.907 7.247 3.720 . . . 1.0 . . . . . . . . . . . . A . 16 MET N . . . . . . . . . rr_1jzp 1
. 1 . 280 . 1 1 16 MET O O 4.627 10.071 5.083 . . . 1.0 . . . . . . . . . . . . A . 16 MET O . . . . . . . . . rr_1jzp 1
. 1 . 281 . 1 1 16 MET SD S 1.631 9.297 8.192 . . . 1.0 . . . . . . . . . . . . A . 16 MET SD . . . . . . . . . rr_1jzp 1
. 1 . 282 . 1 1 17 SER C C 7.491 8.381 3.486 . . . 1.0 . . . . . . . . . . . . A . 17 SER C . . . . . . . . . rr_1jzp 1
. 1 . 283 . 1 1 17 SER CA C 6.765 8.452 4.832 . . . 1.0 . . . . . . . . . . . . A . 17 SER CA . . . . . . . . . rr_1jzp 1
. 1 . 284 . 1 1 17 SER CB C 7.361 7.450 5.818 . . . 1.0 . . . . . . . . . . . . A . 17 SER CB . . . . . . . . . rr_1jzp 1
. 1 . 285 . 1 1 17 SER H H 5.125 7.105 4.454 . . . 1.0 . . . . . . . . . . . . A . 17 SER H . . . . . . . . . rr_1jzp 1
. 1 . 286 . 1 1 17 SER HA H 6.822 9.449 5.239 . . . 1.0 . . . . . . . . . . . . A . 17 SER HA . . . . . . . . . rr_1jzp 1
. 1 . 287 . 1 1 17 SER HB2 H 6.586 7.069 6.462 . . . 1.0 . . . . . . . . . . . . A . 17 SER HB2 . . . . . . . . . rr_1jzp 1
. 1 . 288 . 1 1 17 SER HB3 H 7.806 6.629 5.271 . . . 1.0 . . . . . . . . . . . . A . 17 SER HB3 . . . . . . . . . rr_1jzp 1
. 1 . 289 . 1 1 17 SER HG H 8.887 7.423 7.026 . . . 1.0 . . . . . . . . . . . . A . 17 SER HG . . . . . . . . . rr_1jzp 1
. 1 . 290 . 1 1 17 SER N N 5.341 8.036 4.670 . . . 1.0 . . . . . . . . . . . . A . 17 SER N . . . . . . . . . rr_1jzp 1
. 1 . 291 . 1 1 17 SER O O 7.974 9.373 2.977 . . . 1.0 . . . . . . . . . . . . A . 17 SER O . . . . . . . . . rr_1jzp 1
. 1 . 292 . 1 1 17 SER OG O 8.349 8.099 6.609 . . . 1.0 . . . . . . . . . . . . A . 17 SER OG . . . . . . . . . rr_1jzp 1
. 1 . 293 . 1 1 18 ARG C C 7.271 7.281 0.446 . . . 1.0 . . . . . . . . . . . . A . 18 ARG C . . . . . . . . . rr_1jzp 1
. 1 . 294 . 1 1 18 ARG CA C 8.266 7.081 1.593 . . . 1.0 . . . . . . . . . . . . A . 18 ARG CA . . . . . . . . . rr_1jzp 1
. 1 . 295 . 1 1 18 ARG CB C 8.821 5.656 1.581 . . . 1.0 . . . . . . . . . . . . A . 18 ARG CB . . . . . . . . . rr_1jzp 1
. 1 . 296 . 1 1 18 ARG CD C 10.506 4.200 2.713 . . . 1.0 . . . . . . . . . . . . A . 18 ARG CD . . . . . . . . . rr_1jzp 1
. 1 . 297 . 1 1 18 ARG CG C 9.556 5.385 2.895 . . . 1.0 . . . . . . . . . . . . A . 18 ARG CG . . . . . . . . . rr_1jzp 1
. 1 . 298 . 1 1 18 ARG CZ C 12.249 4.007 1.044 . . . 1.0 . . . . . . . . . . . . A . 18 ARG CZ . . . . . . . . . rr_1jzp 1
. 1 . 299 . 1 1 18 ARG H H 7.175 6.426 3.333 . . . 1.0 . . . . . . . . . . . . A . 18 ARG H . . . . . . . . . rr_1jzp 1
. 1 . 300 . 1 1 18 ARG HA H 9.074 7.792 1.519 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HA . . . . . . . . . rr_1jzp 1
. 1 . 301 . 1 1 18 ARG HB2 H 8.007 4.954 1.471 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HB2 . . . . . . . . . rr_1jzp 1
. 1 . 302 . 1 1 18 ARG HB3 H 9.508 5.544 0.757 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HB3 . . . . . . . . . rr_1jzp 1
. 1 . 303 . 1 1 18 ARG HD2 H 10.836 3.832 3.675 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HD2 . . . . . . . . . rr_1jzp 1
. 1 . 304 . 1 1 18 ARG HD3 H 10.025 3.414 2.152 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HD3 . . . . . . . . . rr_1jzp 1
. 1 . 305 . 1 1 18 ARG HE H 11.968 5.660 2.106 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HE . . . . . . . . . rr_1jzp 1
. 1 . 306 . 1 1 18 ARG HG2 H 10.121 6.261 3.179 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HG2 . . . . . . . . . rr_1jzp 1
. 1 . 307 . 1 1 18 ARG HG3 H 8.839 5.152 3.668 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HG3 . . . . . . . . . rr_1jzp 1
. 1 . 308 . 1 1 18 ARG HH11 H 11.501 2.288 1.744 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HH11 . . . . . . . . . rr_1jzp 1
. 1 . 309 . 1 1 18 ARG HH12 H 12.537 2.147 0.363 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HH12 . . . . . . . . . rr_1jzp 1
. 1 . 310 . 1 1 18 ARG HH21 H 13.136 5.555 0.133 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HH21 . . . . . . . . . rr_1jzp 1
. 1 . 311 . 1 1 18 ARG HH22 H 13.463 3.997 -0.549 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HH22 . . . . . . . . . rr_1jzp 1
. 1 . 312 . 1 1 18 ARG N N 7.572 7.215 2.906 . . . 1.0 . . . . . . . . . . . . A . 18 ARG N . . . . . . . . . rr_1jzp 1
. 1 . 313 . 1 1 18 ARG NE N 11.656 4.746 1.941 . . . 1.0 . . . . . . . . . . . . A . 18 ARG NE . . . . . . . . . rr_1jzp 1
. 1 . 314 . 1 1 18 ARG NH1 N 12.083 2.713 1.051 . . . 1.0 . . . . . . . . . . . . A . 18 ARG NH1 . . . . . . . . . rr_1jzp 1
. 1 . 315 . 1 1 18 ARG NH2 N 13.009 4.563 0.139 . . . 1.0 . . . . . . . . . . . . A . 18 ARG NH2 . . . . . . . . . rr_1jzp 1
. 1 . 316 . 1 1 18 ARG O O 7.395 6.689 -0.607 . . . 1.0 . . . . . . . . . . . . A . 18 ARG O . . . . . . . . . rr_1jzp 1
. 1 . 317 . 1 1 19 GLY C C 5.927 9.131 -1.573 . . . 1.0 . . . . . . . . . . . . A . 19 GLY C . . . . . . . . . rr_1jzp 1
. 1 . 318 . 1 1 19 GLY CA C 5.280 8.347 -0.434 . . . 1.0 . . . . . . . . . . . . A . 19 GLY CA . . . . . . . . . rr_1jzp 1
. 1 . 319 . 1 1 19 GLY H H 6.199 8.578 1.501 . . . 1.0 . . . . . . . . . . . . A . 19 GLY H . . . . . . . . . rr_1jzp 1
. 1 . 320 . 1 1 19 GLY HA2 H 4.924 7.399 -0.808 . . . 1.0 . . . . . . . . . . . . A . 19 GLY HA2 . . . . . . . . . rr_1jzp 1
. 1 . 321 . 1 1 19 GLY HA3 H 4.454 8.915 -0.039 . . . 1.0 . . . . . . . . . . . . A . 19 GLY HA3 . . . . . . . . . rr_1jzp 1
. 1 . 322 . 1 1 19 GLY N N 6.283 8.111 0.643 . . . 1.0 . . . . . . . . . . . . A . 19 GLY N . . . . . . . . . rr_1jzp 1
. 1 . 323 . 1 1 19 GLY O O 5.361 9.282 -2.638 . . . 1.0 . . . . . . . . . . . . A . 19 GLY O . . . . . . . . . rr_1jzp 1
. 1 . 324 . 1 1 20 LEU C C 6.922 11.587 -2.866 . . . 1.0 . . . . . . . . . . . . A . 20 LEU C . . . . . . . . . rr_1jzp 1
. 1 . 325 . 1 1 20 LEU CA C 7.793 10.407 -2.426 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CA . . . . . . . . . rr_1jzp 1
. 1 . 326 . 1 1 20 LEU CB C 7.981 9.419 -3.578 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CB . . . . . . . . . rr_1jzp 1
. 1 . 327 . 1 1 20 LEU CD1 C 9.219 7.333 -4.181 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD1 . . . . . . . . . rr_1jzp 1
. 1 . 328 . 1 1 20 LEU CD2 C 10.466 9.469 -3.831 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD2 . . . . . . . . . rr_1jzp 1
. 1 . 329 . 1 1 20 LEU CG C 9.274 8.628 -3.368 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CG . . . . . . . . . rr_1jzp 1
. 1 . 330 . 1 1 20 LEU H H 7.546 9.498 -0.491 . . . 1.0 . . . . . . . . . . . . A . 20 LEU H . . . . . . . . . rr_1jzp 1
. 1 . 331 . 1 1 20 LEU HA H 8.749 10.753 -2.078 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HA . . . . . . . . . rr_1jzp 1
. 1 . 332 . 1 1 20 LEU HB2 H 7.143 8.738 -3.609 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB2 . . . . . . . . . rr_1jzp 1
. 1 . 333 . 1 1 20 LEU HB3 H 8.040 9.960 -4.511 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB3 . . . . . . . . . rr_1jzp 1
. 1 . 334 . 1 1 20 LEU HD11 H 8.792 6.547 -3.577 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD11 . . . . . . . . . rr_1jzp 1
. 1 . 335 . 1 1 20 LEU HD12 H 10.218 7.054 -4.481 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD12 . . . . . . . . . rr_1jzp 1
. 1 . 336 . 1 1 20 LEU HD13 H 8.609 7.485 -5.059 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD13 . . . . . . . . . rr_1jzp 1
. 1 . 337 . 1 1 20 LEU HD21 H 11.361 9.132 -3.329 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD21 . . . . . . . . . rr_1jzp 1
. 1 . 338 . 1 1 20 LEU HD22 H 10.289 10.507 -3.593 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD22 . . . . . . . . . rr_1jzp 1
. 1 . 339 . 1 1 20 LEU HD23 H 10.590 9.360 -4.899 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD23 . . . . . . . . . rr_1jzp 1
. 1 . 340 . 1 1 20 LEU HG H 9.384 8.390 -2.320 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HG . . . . . . . . . rr_1jzp 1
. 1 . 341 . 1 1 20 LEU N N 7.108 9.631 -1.358 . . . 1.0 . . . . . . . . . . . . A . 20 LEU N . . . . . . . . . rr_1jzp 1
. 1 . 342 . 1 1 20 LEU O O 7.145 12.685 -2.384 . . . 1.0 . . . . . . . . . . . . A . 20 LEU O . . . . . . . . . rr_1jzp 1
. 1 . 343 . 1 1 21 NH2 HN1 H 5.800 10.525 -4.113 . . . 1.0 . . . . . . . . . . . . A . 21 NH2 HN1 . . . . . . . . . rr_1jzp 1
. 1 . 344 . 1 1 21 NH2 HN2 H 5.412 12.175 -4.013 . . . 1.0 . . . . . . . . . . . . A . 21 NH2 HN2 . . . . . . . . . rr_1jzp 1
. 1 . 345 . 1 1 21 NH2 N N 5.965 11.415 -3.736 . . . 1.0 . . . . . . . . . . . . A . 21 NH2 N . . . . . . . . . rr_1jzp 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_1jzp
_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 1jzp.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_1jzp 1
1 1jzp.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 12 rr_1jzp 1
1 1jzp.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 rr_1jzp 1
1 1jzp.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1jzp 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_1jzp
_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: '1jzp'" . . . . "dihedral angle" "Not applicable" . 12 rr_1jzp 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 1jzp.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_1jzp 1
1 1jzp.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 12 rr_1jzp 1
1 1jzp.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 rr_1jzp 1
1 1jzp.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1jzp 1
stop_
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Sf_framecode CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Entry_ID rr_1jzp
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Details "Generated by Wattos"
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 2
loop_
_Torsion_angle_constraint_software.Software_ID
_Torsion_angle_constraint_software.Software_label
_Torsion_angle_constraint_software.Method_ID
_Torsion_angle_constraint_software.Method_label
_Torsion_angle_constraint_software.Entry_ID
_Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID
. . . . rr_1jzp 1
stop_
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Atom_type_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Atom_type_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Atom_type_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Atom_type_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.PDB_record_ID_1
_Torsion_angle_constraint.PDB_model_num_1
_Torsion_angle_constraint.PDB_strand_ID_1
_Torsion_angle_constraint.PDB_ins_code_1
_Torsion_angle_constraint.PDB_residue_no_1
_Torsion_angle_constraint.PDB_residue_name_1
_Torsion_angle_constraint.PDB_atom_name_1
_Torsion_angle_constraint.PDB_record_ID_2
_Torsion_angle_constraint.PDB_model_num_2
_Torsion_angle_constraint.PDB_strand_ID_2
_Torsion_angle_constraint.PDB_ins_code_2
_Torsion_angle_constraint.PDB_residue_no_2
_Torsion_angle_constraint.PDB_residue_name_2
_Torsion_angle_constraint.PDB_atom_name_2
_Torsion_angle_constraint.PDB_record_ID_3
_Torsion_angle_constraint.PDB_model_num_3
_Torsion_angle_constraint.PDB_strand_ID_3
_Torsion_angle_constraint.PDB_ins_code_3
_Torsion_angle_constraint.PDB_residue_no_3
_Torsion_angle_constraint.PDB_residue_name_3
_Torsion_angle_constraint.PDB_atom_name_3
_Torsion_angle_constraint.PDB_record_ID_4
_Torsion_angle_constraint.PDB_model_num_4
_Torsion_angle_constraint.PDB_strand_ID_4
_Torsion_angle_constraint.PDB_ins_code_4
_Torsion_angle_constraint.PDB_residue_no_4
_Torsion_angle_constraint.PDB_residue_name_4
_Torsion_angle_constraint.PDB_atom_name_4
_Torsion_angle_constraint.Auth_entity_assembly_ID_1
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_chain_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_alt_ID_1
_Torsion_angle_constraint.Auth_atom_name_1
_Torsion_angle_constraint.Auth_entity_assembly_ID_2
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_chain_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_alt_ID_2
_Torsion_angle_constraint.Auth_atom_name_2
_Torsion_angle_constraint.Auth_entity_assembly_ID_3
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_chain_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_alt_ID_3
_Torsion_angle_constraint.Auth_atom_name_3
_Torsion_angle_constraint.Auth_entity_assembly_ID_4
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_chain_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Auth_alt_ID_4
_Torsion_angle_constraint.Auth_atom_name_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . 1 1 1 1 THR C C . . 1 1 2 2 SER N N . . 1 1 2 2 SER CA C . . 1 1 2 2 SER C C . -90.0 -40.0 . . . A . 1 THR C . . A . 2 SER N . . A . 2 SER CA . . A . 2 SER C . . . 1 . C . . . . . 2 . N . . . . . 2 . CA . . . . . 2 . C . . rr_1jzp 1
2 . . 1 1 2 2 SER C C . . 1 1 3 3 ALA N N . . 1 1 3 3 ALA CA C . . 1 1 3 3 ALA C C . -90.0 -40.0 . . . A . 2 SER C . . A . 3 ALA N . . A . 3 ALA CA . . A . 3 ALA C . . . 2 . C . . . . . 3 . N . . . . . 3 . CA . . . . . 3 . C . . rr_1jzp 1
3 . . 1 1 3 3 ALA C C . . 1 1 4 4 GLN N N . . 1 1 4 4 GLN CA C . . 1 1 4 4 GLN C C . -90.0 -40.0 . . . A . 3 ALA C . . A . 4 GLN N . . A . 4 GLN CA . . A . 4 GLN C . . . 3 . C . . . . . 4 . N . . . . . 4 . CA . . . . . 4 . C . . rr_1jzp 1
4 . . 1 1 4 4 GLN C C . . 1 1 5 5 LYS N N . . 1 1 5 5 LYS CA C . . 1 1 5 5 LYS C C . -90.0 -40.0 . . . A . 4 GLN C . . A . 5 LYS N . . A . 5 LYS CA . . A . 5 LYS C . . . 4 . C . . . . . 5 . N . . . . . 5 . CA . . . . . 5 . C . . rr_1jzp 1
5 . . 1 1 6 6 ALA C C . . 1 1 7 7 LYS N N . . 1 1 7 7 LYS CA C . . 1 1 7 7 LYS C C . -90.0 -40.0 . . . A . 6 ALA C . . A . 7 LYS N . . A . 7 LYS CA . . A . 7 LYS C . . . 6 . C . . . . . 7 . N . . . . . 7 . CA . . . . . 7 . C . . rr_1jzp 1
6 . . 1 1 8 8 ALA C C . . 1 1 9 9 GLU N N . . 1 1 9 9 GLU CA C . . 1 1 9 9 GLU C C . -90.0 -40.0 . . . A . 8 ALA C . . A . 9 GLU N . . A . 9 GLU CA . . A . 9 GLU C . . . 8 . C . . . . . 9 . N . . . . . 9 . CA . . . . . 9 . C . . rr_1jzp 1
7 . . 1 1 10 10 GLU C C . . 1 1 11 11 ARG N N . . 1 1 11 11 ARG CA C . . 1 1 11 11 ARG C C . -90.0 -40.0 . . . A . 10 GLU C . . A . 11 ARG N . . A . 11 ARG CA . . A . 11 ARG C . . . 10 . C . . . . . 11 . N . . . . . 11 . CA . . . . . 11 . C . . rr_1jzp 1
8 . . 1 1 11 11 ARG C C . . 1 1 12 12 LYS N N . . 1 1 12 12 LYS CA C . . 1 1 12 12 LYS C C . -90.0 -40.0 . . . A . 11 ARG C . . A . 12 LYS N . . A . 12 LYS CA . . A . 12 LYS C . . . 11 . C . . . . . 12 . N . . . . . 12 . CA . . . . . 12 . C . . rr_1jzp 1
9 . . 1 1 15 15 LYS C C . . 1 1 16 16 MET N N . . 1 1 16 16 MET CA C . . 1 1 16 16 MET C C . -90.0 -40.0 . . . A . 15 LYS C . . A . 16 MET N . . A . 16 MET CA . . A . 16 MET C . . . 15 . C . . . . . 16 . N . . . . . 16 . CA . . . . . 16 . C . . rr_1jzp 1
10 . . 1 1 16 16 MET C C . . 1 1 17 17 SER N N . . 1 1 17 17 SER CA C . . 1 1 17 17 SER C C . -170.0 -70.0 . . . A . 16 MET C . . A . 17 SER N . . A . 17 SER CA . . A . 17 SER C . . . 16 . C . . . . . 17 . N . . . . . 17 . CA . . . . . 17 . C . . rr_1jzp 1
11 . . 1 1 17 17 SER C C . . 1 1 18 18 ARG N N . . 1 1 18 18 ARG CA C . . 1 1 18 18 ARG C C . -90.0 -40.0 . . . A . 17 SER C . . A . 18 ARG N . . A . 18 ARG CA . . A . 18 ARG C . . . 17 . C . . . . . 18 . N . . . . . 18 . CA . . . . . 18 . C . . rr_1jzp 1
12 . . 1 1 18 18 ARG C C . . 1 1 19 19 GLY N N . . 1 1 19 19 GLY CA C . . 1 1 19 19 GLY C C . -170.0 -70.0 . . . A . 18 ARG C . . A . 19 GLY N . . A . 19 GLY CA . . A . 19 GLY C . . . 18 . C . . . . . 19 . N . . . . . 19 . CA . . . . . 19 . C . . rr_1jzp 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1
;dihedral.tbl
for dhprd18 set message=off echo=off end
;
1 1 5 3 rr_1jzp 1
2
;phi restraints-----
J >= 8.0, -120 +/- 40
7.0 <= J < 8.0, -120 +/- 50
J <= 5.5, -65 +/- 25
;
7 1 12 2 rr_1jzp 1
3 "SER2 4.5 Hz" 14 68 14 80 rr_1jzp 1
4 "ALA3 4.9 Hz" 16 68 16 80 rr_1jzp 1
5 "QLN4 5.0 Hz" 18 68 18 80 rr_1jzp 1
6 "LYS5 4.0 Hz" 20 68 20 80 rr_1jzp 1
7 "LYS7 5.4 Hz" 22 68 22 80 rr_1jzp 1
8 "GLU9 4.4 Hz" 24 68 24 80 rr_1jzp 1
9 "ARG11 4.6 Hz" 26 70 26 83 rr_1jzp 1
10 "LYS12 5.3 Hz" 28 70 28 83 rr_1jzp 1
11 "MET16 5.2 Hz" 30 70 30 83 rr_1jzp 1
12 "SER17 6.8 Hz" 32 71 32 84 rr_1jzp 1
13 "ARG18 5.8 Hz" 34 70 34 83 rr_1jzp 1
14 "GLY19 6.2 Hz" 36 71 40 2 rr_1jzp 1
stop_
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1 "restraints dihedral reset" 6 1 6 25 rr_1jzp 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_1jzp
_Org_constr_file_comment.ID 1
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 1
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment "*HEADER SIGNALING PROTEIN 17-SEP-01 1JZP *TITLE MODIFIED PEPTIDE A (D18-A1) OF THE RABBIT SKELETAL *TITLE 2 DIHYDROPYRIDINE RECEPTOR *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: SKELETAL DIHYDROPYDRINE RECEPTOR; *COMPND 3 CHAIN: A; *COMPND 4 FRAGMENT: D18-A1; *COMPND 5 ENGINEERED: YES; *COMPND 6 MUTATION: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 OTHER_DETAILS: THIS SEQUENCE IS A MODIFICATION OF A *SOURCE 4 SEGMENT OF A PROTEIN THAT OCCURS NATURALLY IN RABBIT *SOURCE 5 SKELETAL MUSCLE. *KEYWDS ALPHA HELICAL PEPTIDE, DHPR, D-ISOMER *EXPDTA NMR *AUTHOR D.GREEN, S.PACE, M.SAKOWSKA, A.F.DULHUNTY, M.G.CASAROTTO *REVDAT 1 20-MAR-02 1JZP 0"
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_1jzp
_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
;end
!set message=on echo=on end
;
save_
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