NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
400644 |
1v50   |
6018 | cing | 3-converted-DOCR | STAR | entry | full | 130 |
data_DOCR_restraints_with_modified_coordinates_PDB_code_1v50
# This DOCR archive file contains, for PDB entry <1v50>:
#
# - 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_1v50
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 1v50"
_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 1v50"
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_1v50
_Assembly.ID 1
_Assembly.Name 1v50
_Assembly.Number_of_components 1
_Assembly.Organic_ligands 0
_Assembly.Metal_ions 0
_Assembly.Non_standard_bonds no
_Assembly.Paramagnetic no
_Assembly.Thiol_state "all free"
_Assembly.Molecular_mass 2156.36156
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 Calgizzarin 1 $Calgizzarin A . no . . . . . . rr_1v50 1
stop_
save_
save_Calgizzarin
_Entity.Sf_category entity
_Entity.Sf_framecode Calgizzarin
_Entity.Entry_ID rr_1v50
_Entity.ID 1
_Entity.Name Calgizzarin
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code MAKISSPTEXERCIESLIA
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer yes
_Entity.Nstd_chirality yes
_Entity.Nstd_linkage no
_Entity.Number_of_monomers 19
_Entity.Paramagnetic no
_Entity.Thiol_state "all free"
_Entity.Parent_entity_ID 1
_Entity.Formula_weight 2156.36156
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 . MET . rr_1v50 1
2 . ALA . rr_1v50 1
3 . LYS . rr_1v50 1
4 . ILE . rr_1v50 1
5 . SER . rr_1v50 1
6 . SER . rr_1v50 1
7 . PRO . rr_1v50 1
8 . THR . rr_1v50 1
9 . GLU . rr_1v50 1
10 . . . rr_1v50 1
11 . GLU . rr_1v50 1
12 . ARG . rr_1v50 1
13 . CYS . rr_1v50 1
14 . ILE . rr_1v50 1
15 . GLU . rr_1v50 1
16 . SER . rr_1v50 1
17 . LEU . rr_1v50 1
18 . ILE . rr_1v50 1
19 . ALA . rr_1v50 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
. MET 1 1 rr_1v50 1
. ALA 2 2 rr_1v50 1
. LYS 3 3 rr_1v50 1
. ILE 4 4 rr_1v50 1
. SER 5 5 rr_1v50 1
. SER 6 6 rr_1v50 1
. PRO 7 7 rr_1v50 1
. THR 8 8 rr_1v50 1
. GLU 9 9 rr_1v50 1
. . 10 10 rr_1v50 1
. GLU 11 11 rr_1v50 1
. ARG 12 12 rr_1v50 1
. CYS 13 13 rr_1v50 1
. ILE 14 14 rr_1v50 1
. GLU 15 15 rr_1v50 1
. SER 16 16 rr_1v50 1
. LEU 17 17 rr_1v50 1
. ILE 18 18 rr_1v50 1
. ALA 19 19 rr_1v50 1
stop_
save_
save_chem_comp_TPO
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_TPO
_Chem_comp.Entry_ID rr_1v50
_Chem_comp.ID 1
_Chem_comp.Name Tpo
_Chem_comp.Type "L-peptide linking"
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "C4 H6 N O5 P"
_Chem_comp.Formula_weight 179.06886
save_
save_conformer_statistics
_Conformer_stat_list.Sf_category conformer_statistics
_Conformer_stat_list.Sf_framecode conformer_statistics
_Conformer_stat_list.Entry_ID rr_1v50
_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_1v50
_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_1v50 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_1v50 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 3 LYS C C -14.506 3.048 -2.868 . . . 1.0 . . . . . . . . . . . . A . 1 LYS C . . . . . . . . . rr_1v50 1
. 1 . 2 . 1 1 3 LYS CA C -14.899 3.083 -4.357 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CA . . . . . . . . . rr_1v50 1
. 1 . 3 . 1 1 3 LYS CB C -16.049 4.077 -4.602 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CB . . . . . . . . . rr_1v50 1
. 1 . 4 . 1 1 3 LYS CD C -17.696 4.826 -2.865 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CD . . . . . . . . . rr_1v50 1
. 1 . 5 . 1 1 3 LYS CE C -19.213 4.800 -2.651 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CE . . . . . . . . . rr_1v50 1
. 1 . 6 . 1 1 3 LYS CG C -17.289 3.674 -3.789 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CG . . . . . . . . . rr_1v50 1
. 1 . 7 . 1 1 3 LYS H H -14.622 1.102 -4.963 . . . 1.0 . . . . . . . . . . . . A . 1 LYS H . . . . . . . . . rr_1v50 1
. 1 . 8 . 1 1 3 LYS HA H -14.046 3.363 -4.956 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HA . . . . . . . . . rr_1v50 1
. 1 . 9 . 1 1 3 LYS HB2 H -15.732 5.066 -4.306 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB2 . . . . . . . . . rr_1v50 1
. 1 . 10 . 1 1 3 LYS HB3 H -16.298 4.082 -5.652 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB3 . . . . . . . . . rr_1v50 1
. 1 . 11 . 1 1 3 LYS HD2 H -17.195 4.717 -1.914 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD2 . . . . . . . . . rr_1v50 1
. 1 . 12 . 1 1 3 LYS HD3 H -17.414 5.766 -3.315 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD3 . . . . . . . . . rr_1v50 1
. 1 . 13 . 1 1 3 LYS HE2 H -19.720 5.197 -3.520 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE2 . . . . . . . . . rr_1v50 1
. 1 . 14 . 1 1 3 LYS HE3 H -19.546 3.794 -2.447 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE3 . . . . . . . . . rr_1v50 1
. 1 . 15 . 1 1 3 LYS HG2 H -18.102 3.450 -4.464 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG2 . . . . . . . . . rr_1v50 1
. 1 . 16 . 1 1 3 LYS HG3 H -17.065 2.802 -3.194 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG3 . . . . . . . . . rr_1v50 1
. 1 . 17 . 1 1 3 LYS HZ1 H -19.087 6.623 -1.648 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ1 . . . . . . . . . rr_1v50 1
. 1 . 18 . 1 1 3 LYS HZ2 H -18.974 5.265 -0.633 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ2 . . . . . . . . . rr_1v50 1
. 1 . 19 . 1 1 3 LYS HZ3 H -20.477 5.724 -1.278 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ3 . . . . . . . . . rr_1v50 1
. 1 . 20 . 1 1 3 LYS N N -15.419 1.749 -4.803 . . . 1.0 . . . . . . . . . . . . A . 1 LYS N . . . . . . . . . rr_1v50 1
. 1 . 21 . 1 1 3 LYS NZ N -19.455 5.669 -1.463 . . . 1.0 . . . . . . . . . . . . A . 1 LYS NZ . . . . . . . . . rr_1v50 1
. 1 . 22 . 1 1 3 LYS O O -14.750 3.986 -2.130 . . . 1.0 . . . . . . . . . . . . A . 1 LYS O . . . . . . . . . rr_1v50 1
. 1 . 23 . 1 1 4 ILE C C -12.317 2.803 -0.683 . . . 1.0 . . . . . . . . . . . . A . 2 ILE C . . . . . . . . . rr_1v50 1
. 1 . 24 . 1 1 4 ILE CA C -13.480 1.856 -1.010 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CA . . . . . . . . . rr_1v50 1
. 1 . 25 . 1 1 4 ILE CB C -13.060 0.391 -0.905 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CB . . . . . . . . . rr_1v50 1
. 1 . 26 . 1 1 4 ILE CD1 C -14.399 -0.211 1.105 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CD1 . . . . . . . . . rr_1v50 1
. 1 . 27 . 1 1 4 ILE CG1 C -12.989 -0.009 0.543 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG1 . . . . . . . . . rr_1v50 1
. 1 . 28 . 1 1 4 ILE CG2 C -11.682 0.175 -1.549 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG2 . . . . . . . . . rr_1v50 1
. 1 . 29 . 1 1 4 ILE H H -13.701 1.229 -3.022 . . . 1.0 . . . . . . . . . . . . A . 2 ILE H . . . . . . . . . rr_1v50 1
. 1 . 30 . 1 1 4 ILE HA H -14.306 2.048 -0.364 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HA . . . . . . . . . rr_1v50 1
. 1 . 31 . 1 1 4 ILE HB H -13.787 -0.226 -1.409 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HB . . . . . . . . . rr_1v50 1
. 1 . 32 . 1 1 4 ILE HD11 H -14.987 -0.786 0.404 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD11 . . . . . . . . . rr_1v50 1
. 1 . 33 . 1 1 4 ILE HD12 H -14.865 0.750 1.263 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD12 . . . . . . . . . rr_1v50 1
. 1 . 34 . 1 1 4 ILE HD13 H -14.339 -0.741 2.044 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD13 . . . . . . . . . rr_1v50 1
. 1 . 35 . 1 1 4 ILE HG12 H -12.440 -0.922 0.602 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG12 . . . . . . . . . rr_1v50 1
. 1 . 36 . 1 1 4 ILE HG13 H -12.485 0.762 1.095 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG13 . . . . . . . . . rr_1v50 1
. 1 . 37 . 1 1 4 ILE HG21 H -10.922 0.641 -0.939 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG21 . . . . . . . . . rr_1v50 1
. 1 . 38 . 1 1 4 ILE HG22 H -11.668 0.613 -2.536 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG22 . . . . . . . . . rr_1v50 1
. 1 . 39 . 1 1 4 ILE HG23 H -11.482 -0.884 -1.624 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG23 . . . . . . . . . rr_1v50 1
. 1 . 40 . 1 1 4 ILE N N -13.894 1.973 -2.425 . . . 1.0 . . . . . . . . . . . . A . 2 ILE N . . . . . . . . . rr_1v50 1
. 1 . 41 . 1 1 4 ILE O O -12.109 3.164 0.460 . . . 1.0 . . . . . . . . . . . . A . 2 ILE O . . . . . . . . . rr_1v50 1
. 1 . 42 . 1 1 5 SER C C -9.238 3.392 -0.798 . . . 1.0 . . . . . . . . . . . . A . 3 SER C . . . . . . . . . rr_1v50 1
. 1 . 43 . 1 1 5 SER CA C -10.395 4.113 -1.509 . . . 1.0 . . . . . . . . . . . . A . 3 SER CA . . . . . . . . . rr_1v50 1
. 1 . 44 . 1 1 5 SER CB C -10.898 5.302 -0.681 . . . 1.0 . . . . . . . . . . . . A . 3 SER CB . . . . . . . . . rr_1v50 1
. 1 . 45 . 1 1 5 SER H H -11.788 2.861 -2.579 . . . 1.0 . . . . . . . . . . . . A . 3 SER H . . . . . . . . . rr_1v50 1
. 1 . 46 . 1 1 5 SER HA H -10.063 4.465 -2.470 . . . 1.0 . . . . . . . . . . . . A . 3 SER HA . . . . . . . . . rr_1v50 1
. 1 . 47 . 1 1 5 SER HB2 H -11.960 5.215 -0.524 . . . 1.0 . . . . . . . . . . . . A . 3 SER HB2 . . . . . . . . . rr_1v50 1
. 1 . 48 . 1 1 5 SER HB3 H -10.394 5.310 0.273 . . . 1.0 . . . . . . . . . . . . A . 3 SER HB3 . . . . . . . . . rr_1v50 1
. 1 . 49 . 1 1 5 SER HG H -10.937 7.240 -0.845 . . . 1.0 . . . . . . . . . . . . A . 3 SER HG . . . . . . . . . rr_1v50 1
. 1 . 50 . 1 1 5 SER N N -11.571 3.190 -1.688 . . . 1.0 . . . . . . . . . . . . A . 3 SER N . . . . . . . . . rr_1v50 1
. 1 . 51 . 1 1 5 SER O O -8.175 3.225 -1.365 . . . 1.0 . . . . . . . . . . . . A . 3 SER O . . . . . . . . . rr_1v50 1
. 1 . 52 . 1 1 5 SER OG O -10.628 6.508 -1.383 . . . 1.0 . . . . . . . . . . . . A . 3 SER OG . . . . . . . . . rr_1v50 1
. 1 . 53 . 1 1 6 SER C C -7.114 3.137 1.342 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . rr_1v50 1
. 1 . 54 . 1 1 6 SER CA C -8.365 2.250 1.199 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . rr_1v50 1
. 1 . 55 . 1 1 6 SER CB C -8.055 0.983 0.393 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . rr_1v50 1
. 1 . 56 . 1 1 6 SER H H -10.309 3.116 0.858 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . rr_1v50 1
. 1 . 57 . 1 1 6 SER HA H -8.733 1.975 2.175 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . rr_1v50 1
. 1 . 58 . 1 1 6 SER HB2 H -8.964 0.593 -0.033 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB2 . . . . . . . . . rr_1v50 1
. 1 . 59 . 1 1 6 SER HB3 H -7.361 1.222 -0.402 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . rr_1v50 1
. 1 . 60 . 1 1 6 SER HG H -7.129 -0.698 0.712 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . rr_1v50 1
. 1 . 61 . 1 1 6 SER N N -9.440 2.965 0.433 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . rr_1v50 1
. 1 . 62 . 1 1 6 SER O O -6.226 3.099 0.509 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . rr_1v50 1
. 1 . 63 . 1 1 6 SER OG O -7.487 0.007 1.256 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . rr_1v50 1
. 1 . 64 . 1 1 7 PRO C C -4.737 4.054 3.293 . . . 1.0 . . . . . . . . . . . . A . 5 PRO C . . . . . . . . . rr_1v50 1
. 1 . 65 . 1 1 7 PRO CA C -5.932 4.813 2.674 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CA . . . . . . . . . rr_1v50 1
. 1 . 66 . 1 1 7 PRO CB C -6.499 5.815 3.676 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CB . . . . . . . . . rr_1v50 1
. 1 . 67 . 1 1 7 PRO CD C -8.116 4.013 3.449 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CD . . . . . . . . . rr_1v50 1
. 1 . 68 . 1 1 7 PRO CG C -7.616 5.097 4.370 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CG . . . . . . . . . rr_1v50 1
. 1 . 69 . 1 1 7 PRO HA H -5.633 5.325 1.774 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HA . . . . . . . . . rr_1v50 1
. 1 . 70 . 1 1 7 PRO HB2 H -5.738 6.105 4.387 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB2 . . . . . . . . . rr_1v50 1
. 1 . 71 . 1 1 7 PRO HB3 H -6.883 6.682 3.162 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB3 . . . . . . . . . rr_1v50 1
. 1 . 72 . 1 1 7 PRO HD2 H -8.212 3.079 3.985 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD2 . . . . . . . . . rr_1v50 1
. 1 . 73 . 1 1 7 PRO HD3 H -9.059 4.297 3.008 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD3 . . . . . . . . . rr_1v50 1
. 1 . 74 . 1 1 7 PRO HG2 H -7.251 4.658 5.288 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG2 . . . . . . . . . rr_1v50 1
. 1 . 75 . 1 1 7 PRO HG3 H -8.418 5.787 4.586 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG3 . . . . . . . . . rr_1v50 1
. 1 . 76 . 1 1 7 PRO N N -7.084 3.908 2.409 . . . 1.0 . . . . . . . . . . . . A . 5 PRO N . . . . . . . . . rr_1v50 1
. 1 . 77 . 1 1 7 PRO O O -3.915 4.640 3.973 . . . 1.0 . . . . . . . . . . . . A . 5 PRO O . . . . . . . . . rr_1v50 1
. 1 . 78 . 1 1 8 THR C C -2.231 2.166 2.779 . . . 1.0 . . . . . . . . . . . . A . 6 THR C . . . . . . . . . rr_1v50 1
. 1 . 79 . 1 1 8 THR CA C -3.489 1.985 3.645 . . . 1.0 . . . . . . . . . . . . A . 6 THR CA . . . . . . . . . rr_1v50 1
. 1 . 80 . 1 1 8 THR CB C -3.943 0.518 3.644 . . . 1.0 . . . . . . . . . . . . A . 6 THR CB . . . . . . . . . rr_1v50 1
. 1 . 81 . 1 1 8 THR CG2 C -4.773 0.254 4.898 . . . 1.0 . . . . . . . . . . . . A . 6 THR CG2 . . . . . . . . . rr_1v50 1
. 1 . 82 . 1 1 8 THR H H -5.296 2.306 2.521 . . . 1.0 . . . . . . . . . . . . A . 6 THR H . . . . . . . . . rr_1v50 1
. 1 . 83 . 1 1 8 THR HA H -3.301 2.301 4.660 . . . 1.0 . . . . . . . . . . . . A . 6 THR HA . . . . . . . . . rr_1v50 1
. 1 . 84 . 1 1 8 THR HB H -3.076 -0.125 3.653 . . . 1.0 . . . . . . . . . . . . A . 6 THR HB . . . . . . . . . rr_1v50 1
. 1 . 85 . 1 1 8 THR HG1 H -4.130 -0.066 1.794 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG1 . . . . . . . . . rr_1v50 1
. 1 . 86 . 1 1 8 THR HG21 H -5.818 0.424 4.682 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG21 . . . . . . . . . rr_1v50 1
. 1 . 87 . 1 1 8 THR HG22 H -4.454 0.925 5.683 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG22 . . . . . . . . . rr_1v50 1
. 1 . 88 . 1 1 8 THR HG23 H -4.631 -0.767 5.217 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG23 . . . . . . . . . rr_1v50 1
. 1 . 89 . 1 1 8 THR N N -4.630 2.763 3.068 . . . 1.0 . . . . . . . . . . . . A . 6 THR N . . . . . . . . . rr_1v50 1
. 1 . 90 . 1 1 8 THR O O -1.969 1.387 1.881 . . . 1.0 . . . . . . . . . . . . A . 6 THR O . . . . . . . . . rr_1v50 1
. 1 . 91 . 1 1 8 THR OG1 O -4.722 0.245 2.483 . . . 1.0 . . . . . . . . . . . . A . 6 THR OG1 . . . . . . . . . rr_1v50 1
. 1 . 92 . 1 1 9 GLU C C 0.884 2.398 2.592 . . . 1.0 . . . . . . . . . . . . A . 7 GLU C . . . . . . . . . rr_1v50 1
. 1 . 93 . 1 1 9 GLU CA C -0.207 3.423 2.236 . . . 1.0 . . . . . . . . . . . . A . 7 GLU CA . . . . . . . . . rr_1v50 1
. 1 . 94 . 1 1 9 GLU CB C 0.250 4.838 2.599 . . . 1.0 . . . . . . . . . . . . A . 7 GLU CB . . . . . . . . . rr_1v50 1
. 1 . 95 . 1 1 9 GLU CD C -1.069 6.962 2.745 . . . 1.0 . . . . . . . . . . . . A . 7 GLU CD . . . . . . . . . rr_1v50 1
. 1 . 96 . 1 1 9 GLU CG C -0.568 5.863 1.806 . . . 1.0 . . . . . . . . . . . . A . 7 GLU CG . . . . . . . . . rr_1v50 1
. 1 . 97 . 1 1 9 GLU H H -1.681 3.807 3.768 . . . 1.0 . . . . . . . . . . . . A . 7 GLU H . . . . . . . . . rr_1v50 1
. 1 . 98 . 1 1 9 GLU HA H -0.431 3.373 1.181 . . . 1.0 . . . . . . . . . . . . A . 7 GLU HA . . . . . . . . . rr_1v50 1
. 1 . 99 . 1 1 9 GLU HB2 H 0.107 5.002 3.658 . . . 1.0 . . . . . . . . . . . . A . 7 GLU HB2 . . . . . . . . . rr_1v50 1
. 1 . 100 . 1 1 9 GLU HB3 H 1.296 4.952 2.356 . . . 1.0 . . . . . . . . . . . . A . 7 GLU HB3 . . . . . . . . . rr_1v50 1
. 1 . 101 . 1 1 9 GLU HG2 H 0.053 6.300 1.037 . . . 1.0 . . . . . . . . . . . . A . 7 GLU HG2 . . . . . . . . . rr_1v50 1
. 1 . 102 . 1 1 9 GLU HG3 H -1.413 5.371 1.347 . . . 1.0 . . . . . . . . . . . . A . 7 GLU HG3 . . . . . . . . . rr_1v50 1
. 1 . 103 . 1 1 9 GLU N N -1.450 3.190 3.042 . . . 1.0 . . . . . . . . . . . . A . 7 GLU N . . . . . . . . . rr_1v50 1
. 1 . 104 . 1 1 9 GLU O O 1.860 2.262 1.877 . . . 1.0 . . . . . . . . . . . . A . 7 GLU O . . . . . . . . . rr_1v50 1
. 1 . 105 . 1 1 9 GLU OE1 O -2.134 6.788 3.315 . . . 1.0 . . . . . . . . . . . . A . 7 GLU OE1 . . . . . . . . . rr_1v50 1
. 1 . 106 . 1 1 9 GLU OE2 O -0.380 7.961 2.878 . . . 1.0 . . . . . . . . . . . . A . 7 GLU OE2 . . . . . . . . . rr_1v50 1
. 1 . 107 . 1 1 10 . C C 1.927 -0.396 2.976 . . . 1.0 . . . . . . . . . . . . A . 8 TPO C . . . . . . . . . rr_1v50 1
. 1 . 108 . 1 1 10 . CA C 1.762 0.668 4.074 . . . 1.0 . . . . . . . . . . . . A . 8 TPO CA . . . . . . . . . rr_1v50 1
. 1 . 109 . 1 1 10 . CB C 1.248 0.033 5.373 . . . 1.0 . . . . . . . . . . . . A . 8 TPO CB . . . . . . . . . rr_1v50 1
. 1 . 110 . 1 1 10 . CG2 C 2.334 -0.866 5.940 . . . 1.0 . . . . . . . . . . . . A . 8 TPO CG2 . . . . . . . . . rr_1v50 1
. 1 . 111 . 1 1 10 . H H -0.053 1.801 4.250 . . . 1.0 . . . . . . . . . . . . A . 8 TPO H . . . . . . . . . rr_1v50 1
. 1 . 112 . 1 1 10 . HA H 2.706 1.156 4.259 . . . 1.0 . . . . . . . . . . . . A . 8 TPO HA . . . . . . . . . rr_1v50 1
. 1 . 113 . 1 1 10 . HB H 0.369 -0.562 5.176 . . . 1.0 . . . . . . . . . . . . A . 8 TPO HB . . . . . . . . . rr_1v50 1
. 1 . 114 . 1 1 10 . HG21 H 3.063 -0.261 6.456 . . . 1.0 . . . . . . . . . . . . A . 8 TPO HG21 . . . . . . . . . rr_1v50 1
. 1 . 115 . 1 1 10 . HG22 H 2.811 -1.397 5.131 . . . 1.0 . . . . . . . . . . . . A . 8 TPO HG22 . . . . . . . . . rr_1v50 1
. 1 . 116 . 1 1 10 . HG23 H 1.894 -1.570 6.628 . . . 1.0 . . . . . . . . . . . . A . 8 TPO HG23 . . . . . . . . . rr_1v50 1
. 1 . 117 . 1 1 10 . N N 0.733 1.677 3.685 . . . 1.0 . . . . . . . . . . . . A . 8 TPO N . . . . . . . . . rr_1v50 1
. 1 . 118 . 1 1 10 . O O 3.020 -0.866 2.733 . . . 1.0 . . . . . . . . . . . . A . 8 TPO O . . . . . . . . . rr_1v50 1
. 1 . 119 . 1 1 10 . O1P O -0.172 1.599 8.561 . . . 1.0 . . . . . . . . . . . . A . 8 TPO O1P . . . . . . . . . rr_1v50 1
. 1 . 120 . 1 1 10 . O2P O -0.806 -0.622 7.313 . . . 1.0 . . . . . . . . . . . . A . 8 TPO O2P . . . . . . . . . rr_1v50 1
. 1 . 121 . 1 1 10 . O3P O -1.547 1.762 6.319 . . . 1.0 . . . . . . . . . . . . A . 8 TPO O3P . . . . . . . . . rr_1v50 1
. 1 . 122 . 1 1 10 . OG1 O 0.934 1.052 6.316 . . . 1.0 . . . . . . . . . . . . A . 8 TPO OG1 . . . . . . . . . rr_1v50 1
. 1 . 123 . 1 1 10 . P P -0.453 0.930 7.158 . . . 1.0 . . . . . . . . . . . . A . 8 TPO P . . . . . . . . . rr_1v50 1
. 1 . 124 . 1 1 11 GLU C C 1.774 -1.234 0.028 . . . 1.0 . . . . . . . . . . . . A . 9 GLU C . . . . . . . . . rr_1v50 1
. 1 . 125 . 1 1 11 GLU CA C 0.975 -1.796 1.216 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CA . . . . . . . . . rr_1v50 1
. 1 . 126 . 1 1 11 GLU CB C -0.469 -2.135 0.806 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CB . . . . . . . . . rr_1v50 1
. 1 . 127 . 1 1 11 GLU CD C -1.425 -1.289 -1.355 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CD . . . . . . . . . rr_1v50 1
. 1 . 128 . 1 1 11 GLU CG C -1.131 -0.937 0.107 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CG . . . . . . . . . rr_1v50 1
. 1 . 129 . 1 1 11 GLU H H -0.011 -0.371 2.506 . . . 1.0 . . . . . . . . . . . . A . 9 GLU H . . . . . . . . . rr_1v50 1
. 1 . 130 . 1 1 11 GLU HA H 1.459 -2.681 1.598 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HA . . . . . . . . . rr_1v50 1
. 1 . 131 . 1 1 11 GLU HB2 H -0.458 -2.979 0.132 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB2 . . . . . . . . . rr_1v50 1
. 1 . 132 . 1 1 11 GLU HB3 H -1.039 -2.391 1.687 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB3 . . . . . . . . . rr_1v50 1
. 1 . 133 . 1 1 11 GLU HG2 H -2.055 -0.695 0.611 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG2 . . . . . . . . . rr_1v50 1
. 1 . 134 . 1 1 11 GLU HG3 H -0.470 -0.085 0.143 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG3 . . . . . . . . . rr_1v50 1
. 1 . 135 . 1 1 11 GLU N N 0.859 -0.770 2.304 . . . 1.0 . . . . . . . . . . . . A . 9 GLU N . . . . . . . . . rr_1v50 1
. 1 . 136 . 1 1 11 GLU O O 2.363 -1.977 -0.734 . . . 1.0 . . . . . . . . . . . . A . 9 GLU O . . . . . . . . . rr_1v50 1
. 1 . 137 . 1 1 11 GLU OE1 O -0.486 -1.350 -2.133 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE1 . . . . . . . . . rr_1v50 1
. 1 . 138 . 1 1 11 GLU OE2 O -2.586 -1.489 -1.673 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE2 . . . . . . . . . rr_1v50 1
. 1 . 139 . 1 1 12 ARG C C 4.048 0.832 -0.863 . . . 1.0 . . . . . . . . . . . . A . 10 ARG C . . . . . . . . . rr_1v50 1
. 1 . 140 . 1 1 12 ARG CA C 2.572 0.685 -1.252 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CA . . . . . . . . . rr_1v50 1
. 1 . 141 . 1 1 12 ARG CB C 1.931 2.057 -1.471 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CB . . . . . . . . . rr_1v50 1
. 1 . 142 . 1 1 12 ARG CD C 1.016 2.136 -3.801 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CD . . . . . . . . . rr_1v50 1
. 1 . 143 . 1 1 12 ARG CG C 0.674 1.898 -2.327 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CG . . . . . . . . . rr_1v50 1
. 1 . 144 . 1 1 12 ARG CZ C -0.975 1.171 -4.801 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CZ . . . . . . . . . rr_1v50 1
. 1 . 145 . 1 1 12 ARG H H 1.329 0.649 0.505 . . . 1.0 . . . . . . . . . . . . A . 10 ARG H . . . . . . . . . rr_1v50 1
. 1 . 146 . 1 1 12 ARG HA H 2.473 0.088 -2.144 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HA . . . . . . . . . rr_1v50 1
. 1 . 147 . 1 1 12 ARG HB2 H 1.664 2.489 -0.516 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB2 . . . . . . . . . rr_1v50 1
. 1 . 148 . 1 1 12 ARG HB3 H 2.630 2.706 -1.977 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB3 . . . . . . . . . rr_1v50 1
. 1 . 149 . 1 1 12 ARG HD2 H 1.581 3.052 -3.911 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD2 . . . . . . . . . rr_1v50 1
. 1 . 150 . 1 1 12 ARG HD3 H 1.572 1.301 -4.198 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD3 . . . . . . . . . rr_1v50 1
. 1 . 151 . 1 1 12 ARG HE H -0.660 3.133 -4.719 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HE . . . . . . . . . rr_1v50 1
. 1 . 152 . 1 1 12 ARG HG2 H 0.281 0.900 -2.206 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG2 . . . . . . . . . rr_1v50 1
. 1 . 153 . 1 1 12 ARG HG3 H -0.064 2.614 -2.011 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG3 . . . . . . . . . rr_1v50 1
. 1 . 154 . 1 1 12 ARG HH11 H 0.018 0.852 -6.514 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH11 . . . . . . . . . rr_1v50 1
. 1 . 155 . 1 1 12 ARG HH12 H -1.220 -0.301 -6.142 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH12 . . . . . . . . . rr_1v50 1
. 1 . 156 . 1 1 12 ARG HH21 H -2.128 1.240 -3.160 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH21 . . . . . . . . . rr_1v50 1
. 1 . 157 . 1 1 12 ARG HH22 H -2.438 -0.081 -4.237 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH22 . . . . . . . . . rr_1v50 1
. 1 . 158 . 1 1 12 ARG N N 1.805 0.071 -0.126 . . . 1.0 . . . . . . . . . . . . A . 10 ARG N . . . . . . . . . rr_1v50 1
. 1 . 159 . 1 1 12 ARG NE N -0.300 2.249 -4.493 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NE . . . . . . . . . rr_1v50 1
. 1 . 160 . 1 1 12 ARG NH1 N -0.704 0.524 -5.905 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH1 . . . . . . . . . rr_1v50 1
. 1 . 161 . 1 1 12 ARG NH2 N -1.921 0.743 -4.004 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH2 . . . . . . . . . rr_1v50 1
. 1 . 162 . 1 1 12 ARG O O 4.931 0.532 -1.643 . . . 1.0 . . . . . . . . . . . . A . 10 ARG O . . . . . . . . . rr_1v50 1
. 1 . 163 . 1 1 13 CYS C C 6.392 0.076 0.992 . . . 1.0 . . . . . . . . . . . . A . 11 CYS C . . . . . . . . . rr_1v50 1
. 1 . 164 . 1 1 13 CYS CA C 5.736 1.449 0.794 . . . 1.0 . . . . . . . . . . . . A . 11 CYS CA . . . . . . . . . rr_1v50 1
. 1 . 165 . 1 1 13 CYS CB C 5.652 2.204 2.124 . . . 1.0 . . . . . . . . . . . . A . 11 CYS CB . . . . . . . . . rr_1v50 1
. 1 . 166 . 1 1 13 CYS H H 3.582 1.515 0.950 . . . 1.0 . . . . . . . . . . . . A . 11 CYS H . . . . . . . . . rr_1v50 1
. 1 . 167 . 1 1 13 CYS HA H 6.295 2.031 0.075 . . . 1.0 . . . . . . . . . . . . A . 11 CYS HA . . . . . . . . . rr_1v50 1
. 1 . 168 . 1 1 13 CYS HB2 H 4.945 3.016 2.033 . . . 1.0 . . . . . . . . . . . . A . 11 CYS HB2 . . . . . . . . . rr_1v50 1
. 1 . 169 . 1 1 13 CYS HB3 H 5.326 1.529 2.901 . . . 1.0 . . . . . . . . . . . . A . 11 CYS HB3 . . . . . . . . . rr_1v50 1
. 1 . 170 . 1 1 13 CYS HG H 7.337 2.933 3.503 . . . 1.0 . . . . . . . . . . . . A . 11 CYS HG . . . . . . . . . rr_1v50 1
. 1 . 171 . 1 1 13 CYS N N 4.317 1.286 0.342 . . . 1.0 . . . . . . . . . . . . A . 11 CYS N . . . . . . . . . rr_1v50 1
. 1 . 172 . 1 1 13 CYS O O 7.538 -0.123 0.638 . . . 1.0 . . . . . . . . . . . . A . 11 CYS O . . . . . . . . . rr_1v50 1
. 1 . 173 . 1 1 13 CYS SG S 7.281 2.870 2.547 . . . 1.0 . . . . . . . . . . . . A . 11 CYS SG . . . . . . . . . rr_1v50 1
. 1 . 174 . 1 1 14 ILE C C 6.565 -2.856 0.374 . . . 1.0 . . . . . . . . . . . . A . 12 ILE C . . . . . . . . . rr_1v50 1
. 1 . 175 . 1 1 14 ILE CA C 6.244 -2.232 1.741 . . . 1.0 . . . . . . . . . . . . A . 12 ILE CA . . . . . . . . . rr_1v50 1
. 1 . 176 . 1 1 14 ILE CB C 5.127 -2.988 2.465 . . . 1.0 . . . . . . . . . . . . A . 12 ILE CB . . . . . . . . . rr_1v50 1
. 1 . 177 . 1 1 14 ILE CD1 C 6.204 -3.450 4.704 . . . 1.0 . . . . . . . . . . . . A . 12 ILE CD1 . . . . . . . . . rr_1v50 1
. 1 . 178 . 1 1 14 ILE CG1 C 5.151 -2.620 3.959 . . . 1.0 . . . . . . . . . . . . A . 12 ILE CG1 . . . . . . . . . rr_1v50 1
. 1 . 179 . 1 1 14 ILE CG2 C 5.301 -4.488 2.279 . . . 1.0 . . . . . . . . . . . . A . 12 ILE CG2 . . . . . . . . . rr_1v50 1
. 1 . 180 . 1 1 14 ILE H H 4.747 -0.710 1.814 . . . 1.0 . . . . . . . . . . . . A . 12 ILE H . . . . . . . . . rr_1v50 1
. 1 . 181 . 1 1 14 ILE HA H 7.128 -2.186 2.358 . . . 1.0 . . . . . . . . . . . . A . 12 ILE HA . . . . . . . . . rr_1v50 1
. 1 . 182 . 1 1 14 ILE HB H 4.176 -2.694 2.045 . . . 1.0 . . . . . . . . . . . . A . 12 ILE HB . . . . . . . . . rr_1v50 1
. 1 . 183 . 1 1 14 ILE HD11 H 7.113 -3.487 4.121 . . . 1.0 . . . . . . . . . . . . A . 12 ILE HD11 . . . . . . . . . rr_1v50 1
. 1 . 184 . 1 1 14 ILE HD12 H 5.832 -4.453 4.854 . . . 1.0 . . . . . . . . . . . . A . 12 ILE HD12 . . . . . . . . . rr_1v50 1
. 1 . 185 . 1 1 14 ILE HD13 H 6.408 -2.995 5.662 . . . 1.0 . . . . . . . . . . . . A . 12 ILE HD13 . . . . . . . . . rr_1v50 1
. 1 . 186 . 1 1 14 ILE HG12 H 5.388 -1.571 4.062 . . . 1.0 . . . . . . . . . . . . A . 12 ILE HG12 . . . . . . . . . rr_1v50 1
. 1 . 187 . 1 1 14 ILE HG13 H 4.179 -2.807 4.385 . . . 1.0 . . . . . . . . . . . . A . 12 ILE HG13 . . . . . . . . . rr_1v50 1
. 1 . 188 . 1 1 14 ILE HG21 H 4.719 -5.011 3.020 . . . 1.0 . . . . . . . . . . . . A . 12 ILE HG21 . . . . . . . . . rr_1v50 1
. 1 . 189 . 1 1 14 ILE HG22 H 6.342 -4.744 2.385 . . . 1.0 . . . . . . . . . . . . A . 12 ILE HG22 . . . . . . . . . rr_1v50 1
. 1 . 190 . 1 1 14 ILE HG23 H 4.959 -4.759 1.293 . . . 1.0 . . . . . . . . . . . . A . 12 ILE HG23 . . . . . . . . . rr_1v50 1
. 1 . 191 . 1 1 14 ILE N N 5.672 -0.878 1.541 . . . 1.0 . . . . . . . . . . . . A . 12 ILE N . . . . . . . . . rr_1v50 1
. 1 . 192 . 1 1 14 ILE O O 7.623 -3.421 0.179 . . . 1.0 . . . . . . . . . . . . A . 12 ILE O . . . . . . . . . rr_1v50 1
. 1 . 193 . 1 1 15 GLU C C 7.043 -2.505 -2.631 . . . 1.0 . . . . . . . . . . . . A . 13 GLU C . . . . . . . . . rr_1v50 1
. 1 . 194 . 1 1 15 GLU CA C 5.920 -3.293 -1.941 . . . 1.0 . . . . . . . . . . . . A . 13 GLU CA . . . . . . . . . rr_1v50 1
. 1 . 195 . 1 1 15 GLU CB C 4.601 -3.133 -2.705 . . . 1.0 . . . . . . . . . . . . A . 13 GLU CB . . . . . . . . . rr_1v50 1
. 1 . 196 . 1 1 15 GLU CD C 4.167 -5.482 -3.460 . . . 1.0 . . . . . . . . . . . . A . 13 GLU CD . . . . . . . . . rr_1v50 1
. 1 . 197 . 1 1 15 GLU CG C 3.731 -4.377 -2.493 . . . 1.0 . . . . . . . . . . . . A . 13 GLU CG . . . . . . . . . rr_1v50 1
. 1 . 198 . 1 1 15 GLU H H 4.826 -2.255 -0.394 . . . 1.0 . . . . . . . . . . . . A . 13 GLU H . . . . . . . . . rr_1v50 1
. 1 . 199 . 1 1 15 GLU HA H 6.185 -4.340 -1.873 . . . 1.0 . . . . . . . . . . . . A . 13 GLU HA . . . . . . . . . rr_1v50 1
. 1 . 200 . 1 1 15 GLU HB2 H 4.077 -2.259 -2.343 . . . 1.0 . . . . . . . . . . . . A . 13 GLU HB2 . . . . . . . . . rr_1v50 1
. 1 . 201 . 1 1 15 GLU HB3 H 4.807 -3.017 -3.758 . . . 1.0 . . . . . . . . . . . . A . 13 GLU HB3 . . . . . . . . . rr_1v50 1
. 1 . 202 . 1 1 15 GLU HG2 H 3.841 -4.724 -1.475 . . . 1.0 . . . . . . . . . . . . A . 13 GLU HG2 . . . . . . . . . rr_1v50 1
. 1 . 203 . 1 1 15 GLU HG3 H 2.697 -4.127 -2.678 . . . 1.0 . . . . . . . . . . . . A . 13 GLU HG3 . . . . . . . . . rr_1v50 1
. 1 . 204 . 1 1 15 GLU N N 5.664 -2.732 -0.576 . . . 1.0 . . . . . . . . . . . . A . 13 GLU N . . . . . . . . . rr_1v50 1
. 1 . 205 . 1 1 15 GLU O O 7.802 -3.056 -3.404 . . . 1.0 . . . . . . . . . . . . A . 13 GLU O . . . . . . . . . rr_1v50 1
. 1 . 206 . 1 1 15 GLU OE1 O 5.086 -6.210 -3.122 . . . 1.0 . . . . . . . . . . . . A . 13 GLU OE1 . . . . . . . . . rr_1v50 1
. 1 . 207 . 1 1 15 GLU OE2 O 3.574 -5.581 -4.522 . . . 1.0 . . . . . . . . . . . . A . 13 GLU OE2 . . . . . . . . . rr_1v50 1
. 1 . 208 . 1 1 16 SER C C 9.619 -0.984 -2.549 . . . 1.0 . . . . . . . . . . . . A . 14 SER C . . . . . . . . . rr_1v50 1
. 1 . 209 . 1 1 16 SER CA C 8.256 -0.409 -2.967 . . . 1.0 . . . . . . . . . . . . A . 14 SER CA . . . . . . . . . rr_1v50 1
. 1 . 210 . 1 1 16 SER CB C 8.057 1.021 -2.438 . . . 1.0 . . . . . . . . . . . . A . 14 SER CB . . . . . . . . . rr_1v50 1
. 1 . 211 . 1 1 16 SER H H 6.547 -0.806 -1.706 . . . 1.0 . . . . . . . . . . . . A . 14 SER H . . . . . . . . . rr_1v50 1
. 1 . 212 . 1 1 16 SER HA H 8.160 -0.421 -4.041 . . . 1.0 . . . . . . . . . . . . A . 14 SER HA . . . . . . . . . rr_1v50 1
. 1 . 213 . 1 1 16 SER HB2 H 8.369 1.729 -3.184 . . . 1.0 . . . . . . . . . . . . A . 14 SER HB2 . . . . . . . . . rr_1v50 1
. 1 . 214 . 1 1 16 SER HB3 H 7.009 1.176 -2.224 . . . 1.0 . . . . . . . . . . . . A . 14 SER HB3 . . . . . . . . . rr_1v50 1
. 1 . 215 . 1 1 16 SER HG H 8.740 2.142 -1.000 . . . 1.0 . . . . . . . . . . . . A . 14 SER HG . . . . . . . . . rr_1v50 1
. 1 . 216 . 1 1 16 SER N N 7.164 -1.224 -2.342 . . . 1.0 . . . . . . . . . . . . A . 14 SER N . . . . . . . . . rr_1v50 1
. 1 . 217 . 1 1 16 SER O O 10.543 -1.048 -3.337 . . . 1.0 . . . . . . . . . . . . A . 14 SER O . . . . . . . . . rr_1v50 1
. 1 . 218 . 1 1 16 SER OG O 8.828 1.222 -1.259 . . . 1.0 . . . . . . . . . . . . A . 14 SER OG . . . . . . . . . rr_1v50 1
. 1 . 219 . 1 1 17 LEU C C 11.130 -3.462 -1.395 . . . 1.0 . . . . . . . . . . . . A . 15 LEU C . . . . . . . . . rr_1v50 1
. 1 . 220 . 1 1 17 LEU CA C 11.012 -2.036 -0.839 . . . 1.0 . . . . . . . . . . . . A . 15 LEU CA . . . . . . . . . rr_1v50 1
. 1 . 221 . 1 1 17 LEU CB C 10.910 -2.062 0.693 . . . 1.0 . . . . . . . . . . . . A . 15 LEU CB . . . . . . . . . rr_1v50 1
. 1 . 222 . 1 1 17 LEU CD1 C 10.299 -0.655 2.669 . . . 1.0 . . . . . . . . . . . . A . 15 LEU CD1 . . . . . . . . . rr_1v50 1
. 1 . 223 . 1 1 17 LEU CD2 C 12.241 -0.011 1.233 . . . 1.0 . . . . . . . . . . . . A . 15 LEU CD2 . . . . . . . . . rr_1v50 1
. 1 . 224 . 1 1 17 LEU CG C 10.840 -0.631 1.238 . . . 1.0 . . . . . . . . . . . . A . 15 LEU CG . . . . . . . . . rr_1v50 1
. 1 . 225 . 1 1 17 LEU H H 8.960 -1.385 -0.711 . . . 1.0 . . . . . . . . . . . . A . 15 LEU H . . . . . . . . . rr_1v50 1
. 1 . 226 . 1 1 17 LEU HA H 11.854 -1.437 -1.147 . . . 1.0 . . . . . . . . . . . . A . 15 LEU HA . . . . . . . . . rr_1v50 1
. 1 . 227 . 1 1 17 LEU HB2 H 10.020 -2.601 0.983 . . . 1.0 . . . . . . . . . . . . A . 15 LEU HB2 . . . . . . . . . rr_1v50 1
. 1 . 228 . 1 1 17 LEU HB3 H 11.778 -2.558 1.101 . . . 1.0 . . . . . . . . . . . . A . 15 LEU HB3 . . . . . . . . . rr_1v50 1
. 1 . 229 . 1 1 17 LEU HD11 H 10.951 -1.251 3.291 . . . 1.0 . . . . . . . . . . . . A . 15 LEU HD11 . . . . . . . . . rr_1v50 1
. 1 . 230 . 1 1 17 LEU HD12 H 9.308 -1.085 2.672 . . . 1.0 . . . . . . . . . . . . A . 15 LEU HD12 . . . . . . . . . rr_1v50 1
. 1 . 231 . 1 1 17 LEU HD13 H 10.256 0.353 3.055 . . . 1.0 . . . . . . . . . . . . A . 15 LEU HD13 . . . . . . . . . rr_1v50 1
. 1 . 232 . 1 1 17 LEU HD21 H 12.627 0.001 0.224 . . . 1.0 . . . . . . . . . . . . A . 15 LEU HD21 . . . . . . . . . rr_1v50 1
. 1 . 233 . 1 1 17 LEU HD22 H 12.896 -0.596 1.862 . . . 1.0 . . . . . . . . . . . . A . 15 LEU HD22 . . . . . . . . . rr_1v50 1
. 1 . 234 . 1 1 17 LEU HD23 H 12.188 0.999 1.610 . . . 1.0 . . . . . . . . . . . . A . 15 LEU HD23 . . . . . . . . . rr_1v50 1
. 1 . 235 . 1 1 17 LEU HG H 10.181 -0.042 0.617 . . . 1.0 . . . . . . . . . . . . A . 15 LEU HG . . . . . . . . . rr_1v50 1
. 1 . 236 . 1 1 17 LEU N N 9.731 -1.430 -1.316 . . . 1.0 . . . . . . . . . . . . A . 15 LEU N . . . . . . . . . rr_1v50 1
. 1 . 237 . 1 1 17 LEU O O 12.202 -3.908 -1.759 . . . 1.0 . . . . . . . . . . . . A . 15 LEU O . . . . . . . . . rr_1v50 1
. 1 . 238 . 1 1 18 ILE C C 10.481 -5.541 -3.490 . . . 1.0 . . . . . . . . . . . . A . 16 ILE C . . . . . . . . . rr_1v50 1
. 1 . 239 . 1 1 18 ILE CA C 10.033 -5.562 -2.019 . . . 1.0 . . . . . . . . . . . . A . 16 ILE CA . . . . . . . . . rr_1v50 1
. 1 . 240 . 1 1 18 ILE CB C 8.578 -6.048 -1.895 . . . 1.0 . . . . . . . . . . . . A . 16 ILE CB . . . . . . . . . rr_1v50 1
. 1 . 241 . 1 1 18 ILE CD1 C 6.756 -6.548 -0.247 . . . 1.0 . . . . . . . . . . . . A . 16 ILE CD1 . . . . . . . . . rr_1v50 1
. 1 . 242 . 1 1 18 ILE CG1 C 8.263 -6.349 -0.425 . . . 1.0 . . . . . . . . . . . . A . 16 ILE CG1 . . . . . . . . . rr_1v50 1
. 1 . 243 . 1 1 18 ILE CG2 C 8.371 -7.317 -2.728 . . . 1.0 . . . . . . . . . . . . A . 16 ILE CG2 . . . . . . . . . rr_1v50 1
. 1 . 244 . 1 1 18 ILE H H 9.175 -3.770 -1.180 . . . 1.0 . . . . . . . . . . . . A . 16 ILE H . . . . . . . . . rr_1v50 1
. 1 . 245 . 1 1 18 ILE HA H 10.684 -6.192 -1.435 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HA . . . . . . . . . rr_1v50 1
. 1 . 246 . 1 1 18 ILE HB H 7.913 -5.276 -2.254 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HB . . . . . . . . . rr_1v50 1
. 1 . 247 . 1 1 18 ILE HD11 H 6.253 -5.597 -0.342 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HD11 . . . . . . . . . rr_1v50 1
. 1 . 248 . 1 1 18 ILE HD12 H 6.561 -6.962 0.731 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HD12 . . . . . . . . . rr_1v50 1
. 1 . 249 . 1 1 18 ILE HD13 H 6.390 -7.225 -1.004 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HD13 . . . . . . . . . rr_1v50 1
. 1 . 250 . 1 1 18 ILE HG12 H 8.782 -7.246 -0.123 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HG12 . . . . . . . . . rr_1v50 1
. 1 . 251 . 1 1 18 ILE HG13 H 8.588 -5.522 0.188 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HG13 . . . . . . . . . rr_1v50 1
. 1 . 252 . 1 1 18 ILE HG21 H 8.525 -7.092 -3.772 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HG21 . . . . . . . . . rr_1v50 1
. 1 . 253 . 1 1 18 ILE HG22 H 7.363 -7.678 -2.584 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HG22 . . . . . . . . . rr_1v50 1
. 1 . 254 . 1 1 18 ILE HG23 H 9.074 -8.074 -2.413 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HG23 . . . . . . . . . rr_1v50 1
. 1 . 255 . 1 1 18 ILE N N 10.022 -4.167 -1.473 . . . 1.0 . . . . . . . . . . . . A . 16 ILE N . . . . . . . . . rr_1v50 1
. 1 . 256 . 1 1 18 ILE O O 11.261 -6.370 -3.919 . . . 1.0 . . . . . . . . . . . . A . 16 ILE O . . . . . . . . . rr_1v50 1
. 1 . 257 . 1 1 19 ALA C C 11.809 -3.934 -5.826 . . . 1.0 . . . . . . . . . . . . A . 17 ALA C . . . . . . . . . rr_1v50 1
. 1 . 258 . 1 1 19 ALA CA C 10.387 -4.499 -5.696 . . . 1.0 . . . . . . . . . . . . A . 17 ALA CA . . . . . . . . . rr_1v50 1
. 1 . 259 . 1 1 19 ALA CB C 9.368 -3.545 -6.326 . . . 1.0 . . . . . . . . . . . . A . 17 ALA CB . . . . . . . . . rr_1v50 1
. 1 . 260 . 1 1 19 ALA H H 9.371 -3.935 -3.878 . . . 1.0 . . . . . . . . . . . . A . 17 ALA H . . . . . . . . . rr_1v50 1
. 1 . 261 . 1 1 19 ALA HA H 10.322 -5.468 -6.166 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HA . . . . . . . . . rr_1v50 1
. 1 . 262 . 1 1 19 ALA HB1 H 8.407 -4.034 -6.387 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB1 . . . . . . . . . rr_1v50 1
. 1 . 263 . 1 1 19 ALA HB2 H 9.696 -3.271 -7.318 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB2 . . . . . . . . . rr_1v50 1
. 1 . 264 . 1 1 19 ALA HB3 H 9.281 -2.656 -5.718 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB3 . . . . . . . . . rr_1v50 1
. 1 . 265 . 1 1 19 ALA N N 9.994 -4.592 -4.255 . . . 1.0 . . . . . . . . . . . . A . 17 ALA N . . . . . . . . . rr_1v50 1
. 1 . 266 . 1 1 19 ALA O O 12.096 -2.936 -5.182 . . . 1.0 . . . . . . . . . . . . A . 17 ALA O . . . . . . . . . rr_1v50 1
. 1 . 267 . 1 1 19 ALA OXT O 12.586 -4.512 -6.567 . . . 1.0 . . . . . . . . . . . . A . 17 ALA OXT . . . . . . . . . rr_1v50 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_1v50
_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 1v50.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_1v50 1
1 1v50.mr . . XPLOR/CNS 2 distance NOE simple 148 rr_1v50 1
1 1v50.mr . . "MR format" 3 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1v50 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_1v50
_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: '1v50'" . . . . distance "general distance" . 130 rr_1v50 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 1v50.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_1v50 1
1 1v50.mr . . XPLOR/CNS 2 distance NOE simple 148 rr_1v50 1
1 1v50.mr . . "MR format" 3 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1v50 1
stop_
save_
save_CNS/XPLOR_distance_constraints_2
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_2
_Gen_dist_constraint_list.Entry_ID rr_1v50
_Gen_dist_constraint_list.ID 1
_Gen_dist_constraint_list.Constraint_type NOE
_Gen_dist_constraint_list.Details "Generated by Wattos"
_Gen_dist_constraint_list.Constraint_file_ID 1
_Gen_dist_constraint_list.Block_ID 2
loop_
_Gen_dist_constraint_software.Software_ID
_Gen_dist_constraint_software.Software_label
_Gen_dist_constraint_software.Method_ID
_Gen_dist_constraint_software.Method_label
_Gen_dist_constraint_software.Entry_ID
_Gen_dist_constraint_software.Gen_dist_constraint_list_ID
. . . . rr_1v50 1
stop_
loop_
_Gen_dist_constraint.ID
_Gen_dist_constraint.Member_ID
_Gen_dist_constraint.Member_logic_code
_Gen_dist_constraint.Assembly_atom_ID_1
_Gen_dist_constraint.Entity_assembly_ID_1
_Gen_dist_constraint.Entity_ID_1
_Gen_dist_constraint.Comp_index_ID_1
_Gen_dist_constraint.Seq_ID_1
_Gen_dist_constraint.Comp_ID_1
_Gen_dist_constraint.Atom_ID_1
_Gen_dist_constraint.Atom_type_1
_Gen_dist_constraint.Atom_isotope_number_1
_Gen_dist_constraint.Resonance_ID_1
_Gen_dist_constraint.Assembly_atom_ID_2
_Gen_dist_constraint.Entity_assembly_ID_2
_Gen_dist_constraint.Entity_ID_2
_Gen_dist_constraint.Comp_index_ID_2
_Gen_dist_constraint.Seq_ID_2
_Gen_dist_constraint.Comp_ID_2
_Gen_dist_constraint.Atom_ID_2
_Gen_dist_constraint.Atom_type_2
_Gen_dist_constraint.Atom_isotope_number_2
_Gen_dist_constraint.Resonance_ID_2
_Gen_dist_constraint.Intensity_val
_Gen_dist_constraint.Intensity_lower_val_err
_Gen_dist_constraint.Intensity_upper_val_err
_Gen_dist_constraint.Distance_val
_Gen_dist_constraint.Distance_lower_bound_val
_Gen_dist_constraint.Distance_upper_bound_val
_Gen_dist_constraint.Contribution_fractional_val
_Gen_dist_constraint.Spectral_peak_ID
_Gen_dist_constraint.Spectral_peak_list_ID
_Gen_dist_constraint.PDB_record_ID_1
_Gen_dist_constraint.PDB_model_num_1
_Gen_dist_constraint.PDB_strand_ID_1
_Gen_dist_constraint.PDB_ins_code_1
_Gen_dist_constraint.PDB_residue_no_1
_Gen_dist_constraint.PDB_residue_name_1
_Gen_dist_constraint.PDB_atom_name_1
_Gen_dist_constraint.PDB_record_ID_2
_Gen_dist_constraint.PDB_model_num_2
_Gen_dist_constraint.PDB_strand_ID_2
_Gen_dist_constraint.PDB_ins_code_2
_Gen_dist_constraint.PDB_residue_no_2
_Gen_dist_constraint.PDB_residue_name_2
_Gen_dist_constraint.PDB_atom_name_2
_Gen_dist_constraint.Auth_entity_assembly_ID_1
_Gen_dist_constraint.Auth_asym_ID_1
_Gen_dist_constraint.Auth_chain_ID_1
_Gen_dist_constraint.Auth_seq_ID_1
_Gen_dist_constraint.Auth_comp_ID_1
_Gen_dist_constraint.Auth_atom_ID_1
_Gen_dist_constraint.Auth_alt_ID_1
_Gen_dist_constraint.Auth_atom_name_1
_Gen_dist_constraint.Auth_entity_assembly_ID_2
_Gen_dist_constraint.Auth_asym_ID_2
_Gen_dist_constraint.Auth_chain_ID_2
_Gen_dist_constraint.Auth_seq_ID_2
_Gen_dist_constraint.Auth_comp_ID_2
_Gen_dist_constraint.Auth_atom_ID_2
_Gen_dist_constraint.Auth_alt_ID_2
_Gen_dist_constraint.Auth_atom_name_2
_Gen_dist_constraint.Entry_ID
_Gen_dist_constraint.Gen_dist_constraint_list_ID
1 1 . . 1 1 3 3 LYS H H . . . 1 1 3 3 LYS HB3 H . . . . . 3.34 2.59 4.09 . . . . . A . 1 LYS H . . A . 1 LYS HB3 . . . 1 . HN . . . . . 1 . HB1 . . rr_1v50 1
2 1 OR . 1 1 3 3 LYS H H . . . 1 1 3 3 LYS HG2 H . . . . . 3.28 2.45 4.11 . . . . . A . 1 LYS H . . A . 1 LYS HG2 . . . 1 . HN . . . . . 1 . HG* . . rr_1v50 1
2 2 OR . 1 1 3 3 LYS H H . . . 1 1 3 3 LYS HG3 H . . . . . 3.28 2.45 4.11 . . . . . A . 1 LYS H . . A . 1 LYS HG3 . . . 1 . HN . . . . . 1 . HG* . . rr_1v50 1
3 1 . . 1 1 4 4 ILE HA H . . . 1 1 4 4 ILE HB H . . . . . 2.60 2.10 3.10 . . . . . A . 2 ILE HA . . A . 2 ILE HB . . . 2 . HA . . . . . 2 . HB . . rr_1v50 1
4 1 . . 1 1 4 4 ILE HA H . . . 1 1 4 4 ILE HG12 H . . . . . 3.17 2.55 3.78 . . . . . A . 2 ILE HA . . A . 2 ILE HG12 . . . 2 . HA . . . . . 2 . HG12 . . rr_1v50 1
5 1 . . 1 1 4 4 ILE H H . . . 1 1 3 3 LYS HA H . . . . . 2.76 2.19 3.34 . . . . . A . 2 ILE H . . A . 1 LYS HA . . . 2 . HN . . . . . 1 . HA . . rr_1v50 1
6 1 . . 1 1 4 4 ILE H H . . . 1 1 3 3 LYS HB2 H . . . . . 3.72 2.81 4.64 . . . . . A . 2 ILE H . . A . 1 LYS HB2 . . . 2 . HN . . . . . 1 . HB2 . . rr_1v50 1
7 1 . . 1 1 4 4 ILE HA H . . . 1 1 4 4 ILE H H . . . . . 3.12 2.44 3.79 . . . . . A . 2 ILE H . . A . 2 ILE HA . . . 2 . HN . . . . . 2 . HA . . rr_1v50 1
8 1 . . 1 1 4 4 ILE HB H . . . 1 1 4 4 ILE H H . . . . . 2.87 2.27 3.47 . . . . . A . 2 ILE H . . A . 2 ILE HB . . . 2 . HN . . . . . 2 . HB . . rr_1v50 1
9 1 . . 1 1 4 4 ILE H H . . . 1 1 4 4 ILE MD H . . . . . 4.20 2.91 5.49 . . . . . A . 2 ILE H . . A . 2 ILE MD . . . 2 . HN . . . . . 2 . HD1* . . rr_1v50 1
10 1 . . 1 1 4 4 ILE H H . . . 1 1 4 4 ILE HG13 H . . . . . 3.36 2.60 4.12 . . . . . A . 2 ILE H . . A . 2 ILE HG13 . . . 2 . HN . . . . . 2 . HG11 . . rr_1v50 1
11 1 . . 1 1 4 4 ILE HG12 H . . . 1 1 4 4 ILE H H . . . . . 3.24 2.52 3.95 . . . . . A . 2 ILE H . . A . 2 ILE HG12 . . . 2 . HN . . . . . 2 . HG12 . . rr_1v50 1
12 1 . . 1 1 4 4 ILE H H . . . 1 1 4 4 ILE MG H . . . . . 3.62 2.60 4.63 . . . . . A . 2 ILE H . . A . 2 ILE MG . . . 2 . HN . . . . . 2 . HG2* . . rr_1v50 1
13 1 . . 1 1 5 5 SER HA H . . . 1 1 5 5 SER HB3 H . . . . . 2.37 1.92 2.82 . . . . . A . 3 SER HA . . A . 3 SER HB3 . . . 3 . HA . . . . . 3 . HB1 . . rr_1v50 1
14 1 . . 1 1 5 5 SER HA H . . . 1 1 5 5 SER HB2 H . . . . . 2.37 1.92 2.82 . . . . . A . 3 SER HA . . A . 3 SER HB2 . . . 3 . HA . . . . . 3 . HB2 . . rr_1v50 1
15 1 . . 1 1 4 4 ILE HA H . . . 1 1 5 5 SER H H . . . . . 2.66 2.11 3.20 . . . . . A . 3 SER H . . A . 2 ILE HA . . . 3 . HN . . . . . 2 . HA . . rr_1v50 1
16 1 . . 1 1 4 4 ILE HB H . . . 1 1 5 5 SER H H . . . . . 3.12 2.44 3.79 . . . . . A . 3 SER H . . A . 2 ILE HB . . . 3 . HN . . . . . 2 . HB . . rr_1v50 1
17 1 . . 1 1 4 4 ILE HG13 H . . . 1 1 5 5 SER H H . . . . . 3.80 2.84 4.76 . . . . . A . 3 SER H . . A . 2 ILE HG13 . . . 3 . HN . . . . . 2 . HG11 . . rr_1v50 1
18 1 . . 1 1 4 4 ILE MG H . . . 1 1 5 5 SER H H . . . . . 3.62 2.60 4.63 . . . . . A . 3 SER H . . A . 2 ILE MG . . . 3 . HN . . . . . 2 . HG2* . . rr_1v50 1
19 1 . . 1 1 5 5 SER HB3 H . . . 1 1 5 5 SER H H . . . . . 3.44 2.65 4.23 . . . . . A . 3 SER H . . A . 3 SER HB3 . . . 3 . HN . . . . . 3 . HB1 . . rr_1v50 1
20 1 . . 1 1 5 5 SER HB2 H . . . 1 1 5 5 SER H H . . . . . 3.46 2.66 4.26 . . . . . A . 3 SER H . . A . 3 SER HB2 . . . 3 . HN . . . . . 3 . HB2 . . rr_1v50 1
21 1 OR . 1 1 6 6 SER HA H . . . 1 1 6 6 SER HB2 H . . . . . 2.56 1.95 3.16 . . . . . A . 4 SER HA . . A . 4 SER HB2 . . . 4 . HA . . . . . 4 . HB* . . rr_1v50 1
21 2 OR . 1 1 6 6 SER HA H . . . 1 1 6 6 SER HB3 H . . . . . 2.56 1.95 3.16 . . . . . A . 4 SER HA . . A . 4 SER HB3 . . . 4 . HA . . . . . 4 . HB* . . rr_1v50 1
22 1 OR . 1 1 6 6 SER HA H . . . 1 1 7 7 PRO HD2 H . . . . . 2.23 1.70 2.77 . . . . . A . 4 SER HA . . A . 5 PRO HD2 . . . 4 . HA . . . . . 5 . HD* . . rr_1v50 1
22 2 OR . 1 1 6 6 SER HA H . . . 1 1 7 7 PRO HD3 H . . . . . 2.23 1.70 2.77 . . . . . A . 4 SER HA . . A . 5 PRO HD3 . . . 4 . HA . . . . . 5 . HD* . . rr_1v50 1
23 1 . . 1 1 5 5 SER HA H . . . 1 1 6 6 SER H H . . . . . 3.58 2.73 4.42 . . . . . A . 4 SER H . . A . 3 SER HA . . . 4 . HN . . . . . 3 . HA . . rr_1v50 1
24 1 . . 1 1 5 5 SER H H . . . 1 1 6 6 SER H H . . . . . 3.07 2.41 3.73 . . . . . A . 4 SER H . . A . 3 SER H . . . 4 . HN . . . . . 3 . HN . . rr_1v50 1
25 1 . . 1 1 8 8 THR HB H . . . 1 1 8 8 THR HA H . . . . . 2.26 1.83 2.69 . . . . . A . 6 THR HB . . A . 6 THR HA . . . 6 . HB . . . . . 6 . HA . . rr_1v50 1
26 1 . . 1 1 8 8 THR HB H . . . 1 1 8 8 THR MG H . . . . . 2.52 1.84 3.19 . . . . . A . 6 THR HB . . A . 6 THR MG . . . 6 . HB . . . . . 6 . HG2* . . rr_1v50 1
27 1 . . 1 1 8 8 THR H H . . . 1 1 7 7 PRO HB2 H . . . . . 3.56 2.72 4.40 . . . . . A . 6 THR H . . A . 5 PRO HB2 . . . 6 . HN . . . . . 5 . HB2 . . rr_1v50 1
28 1 OR . 1 1 8 8 THR H H . . . 1 1 7 7 PRO HG2 H . . . . . 3.50 2.59 4.41 . . . . . A . 6 THR H . . A . 5 PRO HG2 . . . 6 . HN . . . . . 5 . HG* . . rr_1v50 1
28 2 OR . 1 1 8 8 THR H H . . . 1 1 7 7 PRO HG3 H . . . . . 3.50 2.59 4.41 . . . . . A . 6 THR H . . A . 5 PRO HG3 . . . 6 . HN . . . . . 5 . HG* . . rr_1v50 1
29 1 . . 1 1 8 8 THR MG H . . . 1 1 8 8 THR H H . . . . . 3.01 2.19 3.84 . . . . . A . 6 THR H . . A . 6 THR MG . . . 6 . HN . . . . . 6 . HG2* . . rr_1v50 1
30 1 OR . 1 1 9 9 GLU HA H . . . 1 1 12 12 ARG HB2 H . . . . . 2.52 1.92 3.12 . . . . . A . 7 GLU HA . . A . 10 ARG HB2 . . . 7 . HA . . . . . 10 . HB* . . rr_1v50 1
30 2 OR . 1 1 9 9 GLU HA H . . . 1 1 12 12 ARG HB3 H . . . . . 2.52 1.92 3.12 . . . . . A . 7 GLU HA . . A . 10 ARG HB3 . . . 7 . HA . . . . . 10 . HB* . . rr_1v50 1
31 1 OR . 1 1 9 9 GLU HA H . . . 1 1 9 9 GLU HB2 H . . . . . 2.46 1.88 3.04 . . . . . A . 7 GLU HA . . A . 7 GLU HB2 . . . 7 . HA . . . . . 7 . HB* . . rr_1v50 1
31 2 OR . 1 1 9 9 GLU HA H . . . 1 1 9 9 GLU HB3 H . . . . . 2.46 1.88 3.04 . . . . . A . 7 GLU HA . . A . 7 GLU HB3 . . . 7 . HA . . . . . 7 . HB* . . rr_1v50 1
32 1 OR . 1 1 9 9 GLU HA H . . . 1 1 9 9 GLU HG2 H . . . . . 2.79 2.14 3.45 . . . . . A . 7 GLU HA . . A . 7 GLU HG2 . . . 7 . HA . . . . . 7 . HG* . . rr_1v50 1
32 2 OR . 1 1 9 9 GLU HA H . . . 1 1 9 9 GLU HG3 H . . . . . 2.79 2.14 3.45 . . . . . A . 7 GLU HA . . A . 7 GLU HG3 . . . 7 . HA . . . . . 7 . HG* . . rr_1v50 1
33 1 . . 1 1 8 8 THR HA H . . . 1 1 9 9 GLU H H . . . . . 3.28 2.55 4.01 . . . . . A . 7 GLU H . . A . 6 THR HA . . . 7 . HN . . . . . 6 . HA . . rr_1v50 1
34 1 . . 1 1 8 8 THR MG H . . . 1 1 9 9 GLU H H . . . . . 3.79 2.71 4.87 . . . . . A . 7 GLU H . . A . 6 THR MG . . . 7 . HN . . . . . 6 . HG2* . . rr_1v50 1
35 1 . . 1 1 8 8 THR H H . . . 1 1 9 9 GLU H H . . . . . 3.34 2.59 4.09 . . . . . A . 7 GLU H . . A . 6 THR H . . . 7 . HN . . . . . 6 . HN . . rr_1v50 1
36 1 . . 1 1 9 9 GLU HA H . . . 1 1 9 9 GLU H H . . . . . 3.04 2.39 3.70 . . . . . A . 7 GLU H . . A . 7 GLU HA . . . 7 . HN . . . . . 7 . HA . . rr_1v50 1
37 1 OR . 1 1 9 9 GLU H H . . . 1 1 9 9 GLU HB2 H . . . . . 2.74 2.06 3.42 . . . . . A . 7 GLU H . . A . 7 GLU HB2 . . . 7 . HN . . . . . 7 . HB* . . rr_1v50 1
37 2 OR . 1 1 9 9 GLU HB3 H . . . 1 1 9 9 GLU H H . . . . . 2.74 2.06 3.42 . . . . . A . 7 GLU H . . A . 7 GLU HB3 . . . 7 . HN . . . . . 7 . HB* . . rr_1v50 1
38 1 OR . 1 1 9 9 GLU H H . . . 1 1 9 9 GLU HG2 H . . . . . 3.13 2.35 3.91 . . . . . A . 7 GLU H . . A . 7 GLU HG2 . . . 7 . HN . . . . . 7 . HG* . . rr_1v50 1
38 2 OR . 1 1 9 9 GLU HG3 H . . . 1 1 9 9 GLU H H . . . . . 3.13 2.35 3.91 . . . . . A . 7 GLU H . . A . 7 GLU HG3 . . . 7 . HN . . . . . 7 . HG* . . rr_1v50 1
39 1 . . 1 1 11 11 GLU HA H . . . 1 1 14 14 ILE HB H . . . . . 2.73 2.21 3.25 . . . . . A . 9 GLU HA . . A . 12 ILE HB . . . 9 . HA . . . . . 12 . HB . . rr_1v50 1
40 1 . . 1 1 14 14 ILE HG13 H . . . 1 1 11 11 GLU HA H . . . . . 3.71 2.95 4.47 . . . . . A . 9 GLU HA . . A . 12 ILE HG13 . . . 9 . HA . . . . . 12 . HG11 . . rr_1v50 1
41 1 . . 1 1 11 11 GLU H H . . . 1 1 11 11 GLU HA H . . . . . 2.73 2.17 3.29 . . . . . A . 9 GLU H . . A . 9 GLU HA . . . 9 . HN . . . . . 9 . HA . . rr_1v50 1
42 1 OR . 1 1 11 11 GLU H H . . . 1 1 11 11 GLU HB2 H . . . . . 2.94 2.21 3.67 . . . . . A . 9 GLU H . . A . 9 GLU HB2 . . . 9 . HN . . . . . 9 . HB* . . rr_1v50 1
42 2 OR . 1 1 11 11 GLU H H . . . 1 1 11 11 GLU HB3 H . . . . . 2.94 2.21 3.67 . . . . . A . 9 GLU H . . A . 9 GLU HB3 . . . 9 . HN . . . . . 9 . HB* . . rr_1v50 1
43 1 . . 1 1 11 11 GLU H H . . . 1 1 11 11 GLU HG3 H . . . . . 3.10 2.43 3.77 . . . . . A . 9 GLU H . . A . 9 GLU HG3 . . . 9 . HN . . . . . 9 . HG1 . . rr_1v50 1
44 1 . . 1 1 11 11 GLU H H . . . 1 1 11 11 GLU HG2 H . . . . . 3.31 2.57 4.05 . . . . . A . 9 GLU H . . A . 9 GLU HG2 . . . 9 . HN . . . . . 9 . HG2 . . rr_1v50 1
45 1 OR . 1 1 12 12 ARG HA H . . . 1 1 12 12 ARG HD2 H . . . . . 3.15 2.42 3.88 . . . . . A . 10 ARG HA . . A . 10 ARG HD2 . . . 10 . HA . . . . . 10 . HD* . . rr_1v50 1
45 2 OR . 1 1 12 12 ARG HA H . . . 1 1 12 12 ARG HD3 H . . . . . 3.15 2.42 3.88 . . . . . A . 10 ARG HA . . A . 10 ARG HD3 . . . 10 . HA . . . . . 10 . HD* . . rr_1v50 1
46 1 . . 1 1 12 12 ARG HA H . . . 1 1 12 12 ARG HG3 H . . . . . 2.94 2.38 3.50 . . . . . A . 10 ARG HA . . A . 10 ARG HG3 . . . 10 . HA . . . . . 10 . HG1 . . rr_1v50 1
47 1 . . 1 1 12 12 ARG HA H . . . 1 1 12 12 ARG HG2 H . . . . . 2.84 2.30 3.38 . . . . . A . 10 ARG HA . . A . 10 ARG HG2 . . . 10 . HA . . . . . 10 . HG2 . . rr_1v50 1
48 1 OR . 1 1 12 12 ARG HA H . . . 1 1 15 15 GLU HB2 H . . . . . 2.52 1.92 3.12 . . . . . A . 10 ARG HA . . A . 13 GLU HB2 . . . 10 . HA . . . . . 13 . HB* . . rr_1v50 1
48 2 OR . 1 1 12 12 ARG HA H . . . 1 1 15 15 GLU HB3 H . . . . . 2.52 1.92 3.12 . . . . . A . 10 ARG HA . . A . 13 GLU HB3 . . . 10 . HA . . . . . 13 . HB* . . rr_1v50 1
49 1 OR . 1 1 12 12 ARG HB3 H . . . 1 1 12 12 ARG HD2 H . . . . . 2.87 2.08 3.65 . . . . . A . 10 ARG HD2 . . A . 10 ARG HB3 . . . 10 . HD* . . . . . 10 . HB* . . rr_1v50 1
49 2 OR . 1 1 12 12 ARG HD3 H . . . 1 1 12 12 ARG HB2 H . . . . . 2.87 2.08 3.65 . . . . . A . 10 ARG HD3 . . A . 10 ARG HB2 . . . 10 . HD* . . . . . 10 . HB* . . rr_1v50 1
49 3 OR . 1 1 12 12 ARG HB3 H . . . 1 1 12 12 ARG HD3 H . . . . . 2.87 2.08 3.65 . . . . . A . 10 ARG HD3 . . A . 10 ARG HB3 . . . 10 . HD* . . . . . 10 . HB* . . rr_1v50 1
49 4 OR . 1 1 12 12 ARG HB2 H . . . 1 1 12 12 ARG HD2 H . . . . . 2.87 2.08 3.65 . . . . . A . 10 ARG HD2 . . A . 10 ARG HB2 . . . 10 . HD* . . . . . 10 . HB* . . rr_1v50 1
50 1 OR . 1 1 12 12 ARG HE H . . . 1 1 12 12 ARG HB2 H . . . . . 3.75 2.75 4.75 . . . . . A . 10 ARG HE . . A . 10 ARG HB2 . . . 10 . HE . . . . . 10 . HB* . . rr_1v50 1
50 2 OR . 1 1 12 12 ARG HB3 H . . . 1 1 12 12 ARG HE H . . . . . 3.75 2.75 4.75 . . . . . A . 10 ARG HE . . A . 10 ARG HB3 . . . 10 . HE . . . . . 10 . HB* . . rr_1v50 1
51 1 . . 1 1 12 12 ARG HG3 H . . . 1 1 12 12 ARG HE H . . . . . 3.77 2.83 4.71 . . . . . A . 10 ARG HE . . A . 10 ARG HG3 . . . 10 . HE . . . . . 10 . HG1 . . rr_1v50 1
52 1 . . 1 1 12 12 ARG HG2 H . . . 1 1 12 12 ARG HE H . . . . . 3.93 2.90 4.96 . . . . . A . 10 ARG HE . . A . 10 ARG HG2 . . . 10 . HE . . . . . 10 . HG2 . . rr_1v50 1
53 1 . . 1 1 12 12 ARG HA H . . . 1 1 12 12 ARG H H . . . . . 2.92 2.30 3.53 . . . . . A . 10 ARG H . . A . 10 ARG HA . . . 10 . HN . . . . . 10 . HA . . rr_1v50 1
54 1 OR . 1 1 12 12 ARG H H . . . 1 1 12 12 ARG HB2 H . . . . . 2.72 2.05 3.40 . . . . . A . 10 ARG H . . A . 10 ARG HB2 . . . 10 . HN . . . . . 10 . HB* . . rr_1v50 1
54 2 OR . 1 1 12 12 ARG HB3 H . . . 1 1 12 12 ARG H H . . . . . 2.72 2.05 3.40 . . . . . A . 10 ARG H . . A . 10 ARG HB3 . . . 10 . HN . . . . . 10 . HB* . . rr_1v50 1
55 1 OR . 1 1 12 12 ARG H H . . . 1 1 12 12 ARG HD2 H . . . . . 4.20 2.95 5.45 . . . . . A . 10 ARG H . . A . 10 ARG HD2 . . . 10 . HN . . . . . 10 . HD* . . rr_1v50 1
55 2 OR . 1 1 12 12 ARG HD3 H . . . 1 1 12 12 ARG H H . . . . . 4.20 2.95 5.45 . . . . . A . 10 ARG H . . A . 10 ARG HD3 . . . 10 . HN . . . . . 10 . HD* . . rr_1v50 1
56 1 . . 1 1 12 12 ARG HG3 H . . . 1 1 12 12 ARG H H . . . . . 2.91 2.29 3.52 . . . . . A . 10 ARG H . . A . 10 ARG HG3 . . . 10 . HN . . . . . 10 . HG1 . . rr_1v50 1
57 1 . . 1 1 12 12 ARG HG2 H . . . 1 1 12 12 ARG H H . . . . . 3.31 2.57 4.06 . . . . . A . 10 ARG H . . A . 10 ARG HG2 . . . 10 . HN . . . . . 10 . HG2 . . rr_1v50 1
58 1 . . 1 1 13 13 CYS HA H . . . 1 1 16 16 SER HB3 H . . . . . 3.19 2.57 3.81 . . . . . A . 11 CYS HA . . A . 14 SER HB3 . . . 11 . HA . . . . . 14 . HB1 . . rr_1v50 1
59 1 . . 1 1 13 13 CYS HA H . . . 1 1 16 16 SER HB2 H . . . . . 3.19 2.57 3.81 . . . . . A . 11 CYS HA . . A . 14 SER HB2 . . . 11 . HA . . . . . 14 . HB2 . . rr_1v50 1
60 1 . . 1 1 12 12 ARG HA H . . . 1 1 13 13 CYS H H . . . . . 2.96 2.34 3.58 . . . . . A . 11 CYS H . . A . 10 ARG HA . . . 11 . HN . . . . . 10 . HA . . rr_1v50 1
61 1 OR . 1 1 13 13 CYS H H . . . 1 1 12 12 ARG HB2 H . . . . . 2.50 1.88 3.12 . . . . . A . 11 CYS H . . A . 10 ARG HB2 . . . 11 . HN . . . . . 10 . HB* . . rr_1v50 1
61 2 OR . 1 1 12 12 ARG HB3 H . . . 1 1 13 13 CYS H H . . . . . 2.50 1.88 3.12 . . . . . A . 11 CYS H . . A . 10 ARG HB3 . . . 11 . HN . . . . . 10 . HB* . . rr_1v50 1
62 1 . . 1 1 12 12 ARG H H . . . 1 1 13 13 CYS H H . . . . . 2.33 1.85 2.80 . . . . . A . 11 CYS H . . A . 10 ARG H . . . 11 . HN . . . . . 10 . HN . . rr_1v50 1
63 1 . . 1 1 13 13 CYS HA H . . . 1 1 13 13 CYS H H . . . . . 2.92 2.30 3.53 . . . . . A . 11 CYS H . . A . 11 CYS HA . . . 11 . HN . . . . . 11 . HA . . rr_1v50 1
64 1 . . 1 1 13 13 CYS HB3 H . . . 1 1 13 13 CYS H H . . . . . 2.67 2.12 3.22 . . . . . A . 11 CYS H . . A . 11 CYS HB3 . . . 11 . HN . . . . . 11 . HB1 . . rr_1v50 1
65 1 . . 1 1 13 13 CYS HB2 H . . . 1 1 13 13 CYS H H . . . . . 2.87 2.26 3.47 . . . . . A . 11 CYS H . . A . 11 CYS HB2 . . . 11 . HN . . . . . 11 . HB2 . . rr_1v50 1
66 1 . . 1 1 14 14 ILE HB H . . . 1 1 14 14 ILE HA H . . . . . 2.63 2.13 3.13 . . . . . A . 12 ILE HA . . A . 12 ILE HB . . . 12 . HA . . . . . 12 . HB . . rr_1v50 1
67 1 . . 1 1 14 14 ILE HA H . . . 1 1 14 14 ILE MD H . . . . . 2.99 2.22 3.76 . . . . . A . 12 ILE HA . . A . 12 ILE MD . . . 12 . HA . . . . . 12 . HD1* . . rr_1v50 1
68 1 . . 1 1 14 14 ILE HG13 H . . . 1 1 14 14 ILE HA H . . . . . 3.05 2.46 3.64 . . . . . A . 12 ILE HA . . A . 12 ILE HG13 . . . 12 . HA . . . . . 12 . HG11 . . rr_1v50 1
69 1 . . 1 1 14 14 ILE HA H . . . 1 1 14 14 ILE HG12 H . . . . . 2.94 2.38 3.50 . . . . . A . 12 ILE HA . . A . 12 ILE HG12 . . . 12 . HA . . . . . 12 . HG12 . . rr_1v50 1
70 1 . . 1 1 14 14 ILE HA H . . . 1 1 14 14 ILE MG H . . . . . 2.77 2.04 3.50 . . . . . A . 12 ILE HA . . A . 12 ILE MG . . . 12 . HA . . . . . 12 . HG2* . . rr_1v50 1
71 1 . . 1 1 14 14 ILE HA H . . . 1 1 17 17 LEU HG H . . . . . 3.42 2.75 4.09 . . . . . A . 12 ILE HA . . A . 15 LEU HG . . . 12 . HA . . . . . 15 . HG . . rr_1v50 1
72 1 . . 1 1 11 11 GLU HA H . . . 1 1 14 14 ILE H H . . . . . 3.20 2.50 3.90 . . . . . A . 12 ILE H . . A . 9 GLU HA . . . 12 . HN . . . . . 9 . HA . . rr_1v50 1
73 1 . . 1 1 14 14 ILE HA H . . . 1 1 14 14 ILE H H . . . . . 2.58 2.04 3.12 . . . . . A . 12 ILE H . . A . 12 ILE HA . . . 12 . HN . . . . . 12 . HA . . rr_1v50 1
74 1 . . 1 1 14 14 ILE HB H . . . 1 1 14 14 ILE H H . . . . . 2.35 1.87 2.83 . . . . . A . 12 ILE H . . A . 12 ILE HB . . . 12 . HN . . . . . 12 . HB . . rr_1v50 1
75 1 . . 1 1 14 14 ILE MD H . . . 1 1 14 14 ILE H H . . . . . 3.71 2.66 4.76 . . . . . A . 12 ILE H . . A . 12 ILE MD . . . 12 . HN . . . . . 12 . HD1* . . rr_1v50 1
76 1 . . 1 1 14 14 ILE HG13 H . . . 1 1 14 14 ILE H H . . . . . 2.73 2.17 3.29 . . . . . A . 12 ILE H . . A . 12 ILE HG13 . . . 12 . HN . . . . . 12 . HG11 . . rr_1v50 1
77 1 . . 1 1 14 14 ILE HG12 H . . . 1 1 14 14 ILE H H . . . . . 2.97 2.34 3.61 . . . . . A . 12 ILE H . . A . 12 ILE HG12 . . . 12 . HN . . . . . 12 . HG12 . . rr_1v50 1
78 1 . . 1 1 14 14 ILE MG H . . . 1 1 14 14 ILE H H . . . . . 3.13 2.28 3.99 . . . . . A . 12 ILE H . . A . 12 ILE MG . . . 12 . HN . . . . . 12 . HG2* . . rr_1v50 1
79 1 . . 1 1 15 15 GLU HA H . . . 1 1 18 18 ILE MD H . . . . . 3.15 2.34 3.96 . . . . . A . 13 GLU HA . . A . 16 ILE MD . . . 13 . HA . . . . . 16 . HD1* . . rr_1v50 1
80 1 . . 1 1 15 15 GLU HA H . . . 1 1 18 18 ILE HG13 H . . . . . 2.82 2.28 3.36 . . . . . A . 13 GLU HA . . A . 16 ILE HG13 . . . 13 . HA . . . . . 16 . HG11 . . rr_1v50 1
81 1 . . 1 1 15 15 GLU HA H . . . 1 1 18 18 ILE HG12 H . . . . . 3.54 2.83 4.25 . . . . . A . 13 GLU HA . . A . 16 ILE HG12 . . . 13 . HA . . . . . 16 . HG12 . . rr_1v50 1
82 1 . . 1 1 15 15 GLU HA H . . . 1 1 18 18 ILE MG H . . . . . 3.13 2.33 3.93 . . . . . A . 13 GLU HA . . A . 16 ILE MG . . . 13 . HA . . . . . 16 . HG2* . . rr_1v50 1
83 1 . . 1 1 12 12 ARG HA H . . . 1 1 15 15 GLU H H . . . . . 4.00 2.93 5.08 . . . . . A . 13 GLU H . . A . 10 ARG HA . . . 13 . HN . . . . . 10 . HA . . rr_1v50 1
84 1 . . 1 1 14 14 ILE HA H . . . 1 1 15 15 GLU H H . . . . . 3.05 2.40 3.71 . . . . . A . 13 GLU H . . A . 12 ILE HA . . . 13 . HN . . . . . 12 . HA . . rr_1v50 1
85 1 . . 1 1 14 14 ILE HB H . . . 1 1 15 15 GLU H H . . . . . 2.92 2.30 3.54 . . . . . A . 13 GLU H . . A . 12 ILE HB . . . 13 . HN . . . . . 12 . HB . . rr_1v50 1
86 1 . . 1 1 14 14 ILE HG13 H . . . 1 1 15 15 GLU H H . . . . . 4.09 2.97 5.21 . . . . . A . 13 GLU H . . A . 12 ILE HG13 . . . 13 . HN . . . . . 12 . HG11 . . rr_1v50 1
87 1 . . 1 1 14 14 ILE HG12 H . . . 1 1 15 15 GLU H H . . . . . 4.29 3.03 5.55 . . . . . A . 13 GLU H . . A . 12 ILE HG12 . . . 13 . HN . . . . . 12 . HG12 . . rr_1v50 1
88 1 . . 1 1 14 14 ILE MG H . . . 1 1 15 15 GLU H H . . . . . 3.41 2.47 4.35 . . . . . A . 13 GLU H . . A . 12 ILE MG . . . 13 . HN . . . . . 12 . HG2* . . rr_1v50 1
89 1 . . 1 1 14 14 ILE H H . . . 1 1 15 15 GLU H H . . . . . 2.66 2.11 3.20 . . . . . A . 13 GLU H . . A . 12 ILE H . . . 13 . HN . . . . . 12 . HN . . rr_1v50 1
90 1 . . 1 1 15 15 GLU HA H . . . 1 1 15 15 GLU H H . . . . . 2.76 2.19 3.33 . . . . . A . 13 GLU H . . A . 13 GLU HA . . . 13 . HN . . . . . 13 . HA . . rr_1v50 1
91 1 OR . 1 1 15 15 GLU H H . . . 1 1 15 15 GLU HB2 H . . . . . 2.67 2.00 3.34 . . . . . A . 13 GLU H . . A . 13 GLU HB2 . . . 13 . HN . . . . . 13 . HB* . . rr_1v50 1
91 2 OR . 1 1 15 15 GLU HB3 H . . . 1 1 15 15 GLU H H . . . . . 2.67 2.00 3.34 . . . . . A . 13 GLU H . . A . 13 GLU HB3 . . . 13 . HN . . . . . 13 . HB* . . rr_1v50 1
92 1 . . 1 1 15 15 GLU H H . . . 1 1 15 15 GLU HG3 H . . . . . 3.33 2.58 4.08 . . . . . A . 13 GLU H . . A . 13 GLU HG3 . . . 13 . HN . . . . . 13 . HG1 . . rr_1v50 1
93 1 . . 1 1 15 15 GLU H H . . . 1 1 15 15 GLU HG2 H . . . . . 3.58 2.73 4.42 . . . . . A . 13 GLU H . . A . 13 GLU HG2 . . . 13 . HN . . . . . 13 . HG2 . . rr_1v50 1
94 1 . . 1 1 15 15 GLU H H . . . 1 1 16 16 SER H H . . . . . 2.88 2.28 3.49 . . . . . A . 13 GLU H . . A . 14 SER H . . . 13 . HN . . . . . 14 . HN . . rr_1v50 1
95 1 . . 1 1 16 16 SER HB3 H . . . 1 1 16 16 SER HA H . . . . . 2.23 1.81 2.65 . . . . . A . 14 SER HA . . A . 14 SER HB3 . . . 14 . HA . . . . . 14 . HB1 . . rr_1v50 1
96 1 . . 1 1 16 16 SER HB2 H . . . 1 1 16 16 SER HA H . . . . . 2.31 1.87 2.75 . . . . . A . 14 SER HA . . A . 14 SER HB2 . . . 14 . HA . . . . . 14 . HB2 . . rr_1v50 1
97 1 . . 1 1 16 16 SER HA H . . . 1 1 19 19 ALA MB H . . . . . 2.77 2.04 3.50 . . . . . A . 14 SER HA . . A . 17 ALA MB . . . 14 . HA . . . . . 17 . HB* . . rr_1v50 1
98 1 . . 1 1 13 13 CYS HA H . . . 1 1 16 16 SER H H . . . . . 3.91 2.89 4.92 . . . . . A . 14 SER H . . A . 11 CYS HA . . . 14 . HN . . . . . 11 . HA . . rr_1v50 1
99 1 OR . 1 1 16 16 SER H H . . . 1 1 15 15 GLU HB2 H . . . . . 3.15 2.36 3.94 . . . . . A . 14 SER H . . A . 13 GLU HB2 . . . 14 . HN . . . . . 13 . HB* . . rr_1v50 1
99 2 OR . 1 1 15 15 GLU HB3 H . . . 1 1 16 16 SER H H . . . . . 3.15 2.36 3.94 . . . . . A . 14 SER H . . A . 13 GLU HB3 . . . 14 . HN . . . . . 13 . HB* . . rr_1v50 1
100 1 . . 1 1 16 16 SER H H . . . 1 1 16 16 SER HA H . . . . . 3.22 2.51 3.93 . . . . . A . 14 SER H . . A . 14 SER HA . . . 14 . HN . . . . . 14 . HA . . rr_1v50 1
101 1 . . 1 1 16 16 SER HB2 H . . . 1 1 16 16 SER H H . . . . . 3.26 2.54 3.98 . . . . . A . 14 SER H . . A . 14 SER HB2 . . . 14 . HN . . . . . 14 . HB2 . . rr_1v50 1
102 1 . . 1 1 17 17 LEU HA H . . . 1 1 17 17 LEU HB3 H . . . . . 2.57 2.08 3.06 . . . . . A . 15 LEU HA . . A . 15 LEU HB3 . . . 15 . HA . . . . . 15 . HB1 . . rr_1v50 1
103 1 . . 1 1 17 17 LEU HA H . . . 1 1 17 17 LEU HB2 H . . . . . 2.89 2.34 3.44 . . . . . A . 15 LEU HA . . A . 15 LEU HB2 . . . 15 . HA . . . . . 15 . HB2 . . rr_1v50 1
104 1 . . 1 1 17 17 LEU HA H . . . 1 1 17 17 LEU MD2 H . . . . . 2.60 1.90 3.29 . . . . . A . 15 LEU HA . . A . 15 LEU MD2 . . . 15 . HA . . . . . 15 . HD2* . . rr_1v50 1
105 1 . . 1 1 17 17 LEU HG H . . . 1 1 17 17 LEU HA H . . . . . 2.71 2.19 3.23 . . . . . A . 15 LEU HA . . A . 15 LEU HG . . . 15 . HA . . . . . 15 . HG . . rr_1v50 1
106 1 . . 1 1 14 14 ILE HA H . . . 1 1 17 17 LEU H H . . . . . 3.44 2.65 4.23 . . . . . A . 15 LEU H . . A . 12 ILE HA . . . 15 . HN . . . . . 12 . HA . . rr_1v50 1
107 1 . . 1 1 16 16 SER HB3 H . . . 1 1 17 17 LEU H H . . . . . 3.50 2.69 4.31 . . . . . A . 15 LEU H . . A . 14 SER HB3 . . . 15 . HN . . . . . 14 . HB1 . . rr_1v50 1
108 1 . . 1 1 17 17 LEU HA H . . . 1 1 17 17 LEU H H . . . . . 2.94 2.32 3.56 . . . . . A . 15 LEU H . . A . 15 LEU HA . . . 15 . HN . . . . . 15 . HA . . rr_1v50 1
109 1 . . 1 1 17 17 LEU HB3 H . . . 1 1 17 17 LEU H H . . . . . 3.19 2.49 3.89 . . . . . A . 15 LEU H . . A . 15 LEU HB3 . . . 15 . HN . . . . . 15 . HB1 . . rr_1v50 1
110 1 . . 1 1 17 17 LEU HB2 H . . . 1 1 17 17 LEU H H . . . . . 2.70 2.14 3.26 . . . . . A . 15 LEU H . . A . 15 LEU HB2 . . . 15 . HN . . . . . 15 . HB2 . . rr_1v50 1
111 1 . . 1 1 17 17 LEU H H . . . 1 1 17 17 LEU MD1 H . . . . . 3.68 2.64 4.72 . . . . . A . 15 LEU H . . A . 15 LEU MD1 . . . 15 . HN . . . . . 15 . HD1* . . rr_1v50 1
112 1 . . 1 1 17 17 LEU MD2 H . . . 1 1 17 17 LEU H H . . . . . 3.81 2.72 4.90 . . . . . A . 15 LEU H . . A . 15 LEU MD2 . . . 15 . HN . . . . . 15 . HD2* . . rr_1v50 1
113 1 . . 1 1 17 17 LEU HG H . . . 1 1 17 17 LEU H H . . . . . 2.85 2.25 3.45 . . . . . A . 15 LEU H . . A . 15 LEU HG . . . 15 . HN . . . . . 15 . HG . . rr_1v50 1
114 1 . . 1 1 17 17 LEU H H . . . 1 1 18 18 ILE H H . . . . . 2.56 2.04 3.08 . . . . . A . 15 LEU H . . A . 16 ILE H . . . 15 . HN . . . . . 16 . HN . . rr_1v50 1
115 1 . . 1 1 18 18 ILE HA H . . . 1 1 18 18 ILE HB H . . . . . 2.53 2.05 3.01 . . . . . A . 16 ILE HA . . A . 16 ILE HB . . . 16 . HA . . . . . 16 . HB . . rr_1v50 1
116 1 . . 1 1 18 18 ILE HG13 H . . . 1 1 18 18 ILE HA H . . . . . 3.19 2.57 3.81 . . . . . A . 16 ILE HA . . A . 16 ILE HG13 . . . 16 . HA . . . . . 16 . HG11 . . rr_1v50 1
117 1 . . 1 1 18 18 ILE HG12 H . . . 1 1 18 18 ILE HA H . . . . . 3.08 2.48 3.67 . . . . . A . 16 ILE HA . . A . 16 ILE HG12 . . . 16 . HA . . . . . 16 . HG12 . . rr_1v50 1
118 1 . . 1 1 18 18 ILE MG H . . . 1 1 18 18 ILE HA H . . . . . 2.52 1.84 3.19 . . . . . A . 16 ILE HA . . A . 16 ILE MG . . . 16 . HA . . . . . 16 . HG2* . . rr_1v50 1
119 1 . . 1 1 15 15 GLU HA H . . . 1 1 18 18 ILE H H . . . . . 3.65 2.77 4.53 . . . . . A . 16 ILE H . . A . 13 GLU HA . . . 16 . HN . . . . . 13 . HA . . rr_1v50 1
120 1 . . 1 1 17 17 LEU HA H . . . 1 1 18 18 ILE H H . . . . . 3.42 2.64 4.21 . . . . . A . 16 ILE H . . A . 15 LEU HA . . . 16 . HN . . . . . 15 . HA . . rr_1v50 1
121 1 . . 1 1 17 17 LEU HB3 H . . . 1 1 18 18 ILE H H . . . . . 3.71 2.80 4.62 . . . . . A . 16 ILE H . . A . 15 LEU HB3 . . . 16 . HN . . . . . 15 . HB1 . . rr_1v50 1
122 1 . . 1 1 17 17 LEU HB2 H . . . 1 1 18 18 ILE H H . . . . . 3.38 2.61 4.14 . . . . . A . 16 ILE H . . A . 15 LEU HB2 . . . 16 . HN . . . . . 15 . HB2 . . rr_1v50 1
123 1 . . 1 1 18 18 ILE H H . . . 1 1 18 18 ILE HA H . . . . . 2.60 2.06 3.14 . . . . . A . 16 ILE H . . A . 16 ILE HA . . . 16 . HN . . . . . 16 . HA . . rr_1v50 1
124 1 . . 1 1 18 18 ILE H H . . . 1 1 18 18 ILE HB H . . . . . 2.84 2.25 3.44 . . . . . A . 16 ILE H . . A . 16 ILE HB . . . 16 . HN . . . . . 16 . HB . . rr_1v50 1
125 1 . . 1 1 18 18 ILE MD H . . . 1 1 18 18 ILE H H . . . . . 3.78 2.70 4.86 . . . . . A . 16 ILE H . . A . 16 ILE MD . . . 16 . HN . . . . . 16 . HD1* . . rr_1v50 1
126 1 . . 1 1 18 18 ILE HG13 H . . . 1 1 18 18 ILE H H . . . . . 2.92 2.30 3.53 . . . . . A . 16 ILE H . . A . 16 ILE HG13 . . . 16 . HN . . . . . 16 . HG11 . . rr_1v50 1
127 1 . . 1 1 18 18 ILE HG12 H . . . 1 1 18 18 ILE H H . . . . . 3.10 2.43 3.77 . . . . . A . 16 ILE H . . A . 16 ILE HG12 . . . 16 . HN . . . . . 16 . HG12 . . rr_1v50 1
128 1 . . 1 1 18 18 ILE MG H . . . 1 1 19 19 ALA H H . . . . . 3.13 2.28 3.99 . . . . . A . 17 ALA H . . A . 16 ILE MG . . . 17 . HN . . . . . 16 . HG2* . . rr_1v50 1
129 1 . . 1 1 19 19 ALA H H . . . 1 1 19 19 ALA HA H . . . . . 2.97 2.34 3.61 . . . . . A . 17 ALA H . . A . 17 ALA HA . . . 17 . HN . . . . . 17 . HA . . rr_1v50 1
130 1 . . 1 1 19 19 ALA MB H . . . 1 1 19 19 ALA H H . . . . . 2.90 2.11 3.69 . . . . . A . 17 ALA H . . A . 17 ALA MB . . . 17 . HN . . . . . 17 . HB* . . rr_1v50 1
stop_
loop_
_Gen_dist_constraint_comment_org.ID
_Gen_dist_constraint_comment_org.Comment_text
_Gen_dist_constraint_comment_org.Comment_begin_line
_Gen_dist_constraint_comment_org.Comment_begin_column
_Gen_dist_constraint_comment_org.Comment_end_line
_Gen_dist_constraint_comment_org.Comment_end_column
_Gen_dist_constraint_comment_org.Entry_ID
_Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID
1 "message=off echo=off" 2 1 2 28 rr_1v50 1
2 "message=on echo=on" 153 1 153 26 rr_1v50 1
stop_
loop_
_Gen_dist_constraint_conv_err.ID
_Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID
_Gen_dist_constraint_conv_err.Parse_file_constraint_ID
_Gen_dist_constraint_conv_err.Conv_error_type
_Gen_dist_constraint_conv_err.Conv_error_note
_Gen_dist_constraint_conv_err.Entry_ID
_Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID
1 2 39 1 "Not handling restraint 39, item 1, resonance(s) ' .8.HA' (nmrStar names),' .8.HG2*' (nmrStar names) not linked" rr_1v50 1
2 2 40 1 "Not handling restraint 40, item 1, resonance(s) ' .8.HA' (nmrStar names) not linked" rr_1v50 1
3 2 41 1 "Not handling restraint 41, item 1, resonance(s) ' .8.HA' (nmrStar names) not linked" rr_1v50 1
4 2 42 1 "Not handling restraint 42, item 1, resonance(s) ' .8.HA' (nmrStar names) not linked" rr_1v50 1
5 2 43 1 "Not handling restraint 43, item 1, resonance(s) ' .8.HA' (nmrStar names),' .8.HB' (nmrStar names) not linked" rr_1v50 1
6 2 44 1 "Not handling restraint 44, item 1, resonance(s) ' .8.HA' (nmrStar names),' .8.HN' (nmrStar names) not linked" rr_1v50 1
7 2 45 1 "Not handling restraint 45, item 1, resonance(s) ' .8.HB' (nmrStar names),' .8.HN' (nmrStar names) not linked" rr_1v50 1
8 2 46 1 "Not handling restraint 46, item 1, resonance(s) ' .8.HG2*' (nmrStar names),' .8.HN' (nmrStar names) not linked" rr_1v50 1
9 2 47 1 "Not handling restraint 47, item 1, resonance(s) ' .8.HN' (nmrStar names) not linked" rr_1v50 1
10 2 48 1 "Not handling restraint 48, item 1, resonance(s) ' .8.HN' (nmrStar names) not linked" rr_1v50 1
11 2 49 1 "Not handling restraint 49, item 1, resonance(s) ' .8.HN' (nmrStar names) not linked" rr_1v50 1
12 2 49 1 "Not handling restraint 49, item 1, resonance(s) ' .8.HN' (nmrStar names) not linked" rr_1v50 1
13 2 50 1 "Not handling restraint 50, item 1, resonance(s) ' .8.HN' (nmrStar names) not linked" rr_1v50 1
14 2 50 1 "Not handling restraint 50, item 1, resonance(s) ' .8.HN' (nmrStar names) not linked" rr_1v50 1
15 2 51 1 "Not handling restraint 51, item 1, resonance(s) ' .8.HN' (nmrStar names) not linked" rr_1v50 1
16 2 54 1 "Not handling restraint 54, item 1, resonance(s) ' .8.HA' (nmrStar names) not linked" rr_1v50 1
17 2 55 1 "Not handling restraint 55, item 1, resonance(s) ' .8.HB' (nmrStar names) not linked" rr_1v50 1
18 2 56 1 "Not handling restraint 56, item 1, resonance(s) ' .8.HG2*' (nmrStar names) not linked" rr_1v50 1
19 2 76 1 "Not handling restraint 76, item 1, resonance(s) ' .8.HA' (nmrStar names) not linked" rr_1v50 1
20 2 89 1 "Not handling restraint 89, item 1, resonance(s) ' .8.HG2*' (nmrStar names) not linked" rr_1v50 1
stop_
save_
save_CNS/XPLOR_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_2_1
_Distance_constraint_list.Entry_ID rr_1v50
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Details "Generated by Wattos"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 2
loop_
_Distance_constraint_software.Software_ID
_Distance_constraint_software.Software_label
_Distance_constraint_software.Method_ID
_Distance_constraint_software.Method_label
_Distance_constraint_software.Entry_ID
_Distance_constraint_software.Distance_constraint_list_ID
. . . . rr_1v50 1
stop_
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . rr_1v50 1
2 1 2 . OR rr_1v50 1
2 2 . 3 . rr_1v50 1
2 3 . . . rr_1v50 1
3 1 . . . rr_1v50 1
4 1 . . . rr_1v50 1
5 1 . . . rr_1v50 1
6 1 . . . rr_1v50 1
7 1 . . . rr_1v50 1
8 1 . . . rr_1v50 1
9 1 . . . rr_1v50 1
10 1 . . . rr_1v50 1
11 1 . . . rr_1v50 1
12 1 . . . rr_1v50 1
13 1 . . . rr_1v50 1
14 1 . . . rr_1v50 1
15 1 . . . rr_1v50 1
16 1 . . . rr_1v50 1
17 1 . . . rr_1v50 1
18 1 . . . rr_1v50 1
19 1 . . . rr_1v50 1
20 1 . . . rr_1v50 1
21 1 2 . OR rr_1v50 1
21 2 . 3 . rr_1v50 1
21 3 . . . rr_1v50 1
22 1 2 . OR rr_1v50 1
22 2 . 3 . rr_1v50 1
22 3 . . . rr_1v50 1
23 1 . . . rr_1v50 1
24 1 . . . rr_1v50 1
25 1 . . . rr_1v50 1
26 1 . . . rr_1v50 1
27 1 . . . rr_1v50 1
28 1 2 . OR rr_1v50 1
28 2 . 3 . rr_1v50 1
28 3 . . . rr_1v50 1
29 1 . . . rr_1v50 1
30 1 2 . OR rr_1v50 1
30 2 . 3 . rr_1v50 1
30 3 . . . rr_1v50 1
31 1 2 . OR rr_1v50 1
31 2 . 3 . rr_1v50 1
31 3 . . . rr_1v50 1
32 1 2 . OR rr_1v50 1
32 2 . 3 . rr_1v50 1
32 3 . . . rr_1v50 1
33 1 . . . rr_1v50 1
34 1 . . . rr_1v50 1
35 1 . . . rr_1v50 1
36 1 . . . rr_1v50 1
37 1 2 . OR rr_1v50 1
37 2 . 3 . rr_1v50 1
37 3 . . . rr_1v50 1
38 1 2 . OR rr_1v50 1
38 2 . 3 . rr_1v50 1
38 3 . . . rr_1v50 1
39 1 . . . rr_1v50 1
40 1 . . . rr_1v50 1
41 1 . . . rr_1v50 1
42 1 2 . OR rr_1v50 1
42 2 . 3 . rr_1v50 1
42 3 . . . rr_1v50 1
43 1 . . . rr_1v50 1
44 1 . . . rr_1v50 1
45 1 2 . OR rr_1v50 1
45 2 . 3 . rr_1v50 1
45 3 . . . rr_1v50 1
46 1 . . . rr_1v50 1
47 1 . . . rr_1v50 1
48 1 2 . OR rr_1v50 1
48 2 . 3 . rr_1v50 1
48 3 . . . rr_1v50 1
49 1 2 . OR rr_1v50 1
49 2 . 3 . rr_1v50 1
49 3 . 4 . rr_1v50 1
49 4 . 5 . rr_1v50 1
49 5 . . . rr_1v50 1
50 1 2 . OR rr_1v50 1
50 2 . 3 . rr_1v50 1
50 3 . . . rr_1v50 1
51 1 . . . rr_1v50 1
52 1 . . . rr_1v50 1
53 1 . . . rr_1v50 1
54 1 2 . OR rr_1v50 1
54 2 . 3 . rr_1v50 1
54 3 . . . rr_1v50 1
55 1 2 . OR rr_1v50 1
55 2 . 3 . rr_1v50 1
55 3 . . . rr_1v50 1
56 1 . . . rr_1v50 1
57 1 . . . rr_1v50 1
58 1 . . . rr_1v50 1
59 1 . . . rr_1v50 1
60 1 . . . rr_1v50 1
61 1 2 . OR rr_1v50 1
61 2 . 3 . rr_1v50 1
61 3 . . . rr_1v50 1
62 1 . . . rr_1v50 1
63 1 . . . rr_1v50 1
64 1 . . . rr_1v50 1
65 1 . . . rr_1v50 1
66 1 . . . rr_1v50 1
67 1 . . . rr_1v50 1
68 1 . . . rr_1v50 1
69 1 . . . rr_1v50 1
70 1 . . . rr_1v50 1
71 1 . . . rr_1v50 1
72 1 . . . rr_1v50 1
73 1 . . . rr_1v50 1
74 1 . . . rr_1v50 1
75 1 . . . rr_1v50 1
76 1 . . . rr_1v50 1
77 1 . . . rr_1v50 1
78 1 . . . rr_1v50 1
79 1 . . . rr_1v50 1
80 1 . . . rr_1v50 1
81 1 . . . rr_1v50 1
82 1 . . . rr_1v50 1
83 1 . . . rr_1v50 1
84 1 . . . rr_1v50 1
85 1 . . . rr_1v50 1
86 1 . . . rr_1v50 1
87 1 . . . rr_1v50 1
88 1 . . . rr_1v50 1
89 1 . . . rr_1v50 1
90 1 . . . rr_1v50 1
91 1 2 . OR rr_1v50 1
91 2 . 3 . rr_1v50 1
91 3 . . . rr_1v50 1
92 1 . . . rr_1v50 1
93 1 . . . rr_1v50 1
94 1 . . . rr_1v50 1
95 1 . . . rr_1v50 1
96 1 . . . rr_1v50 1
97 1 . . . rr_1v50 1
98 1 . . . rr_1v50 1
99 1 2 . OR rr_1v50 1
99 2 . 3 . rr_1v50 1
99 3 . . . rr_1v50 1
100 1 . . . rr_1v50 1
101 1 . . . rr_1v50 1
102 1 . . . rr_1v50 1
103 1 . . . rr_1v50 1
104 1 . . . rr_1v50 1
105 1 . . . rr_1v50 1
106 1 . . . rr_1v50 1
107 1 . . . rr_1v50 1
108 1 . . . rr_1v50 1
109 1 . . . rr_1v50 1
110 1 . . . rr_1v50 1
111 1 . . . rr_1v50 1
112 1 . . . rr_1v50 1
113 1 . . . rr_1v50 1
114 1 . . . rr_1v50 1
115 1 . . . rr_1v50 1
116 1 . . . rr_1v50 1
117 1 . . . rr_1v50 1
118 1 . . . rr_1v50 1
119 1 . . . rr_1v50 1
120 1 . . . rr_1v50 1
121 1 . . . rr_1v50 1
122 1 . . . rr_1v50 1
123 1 . . . rr_1v50 1
124 1 . . . rr_1v50 1
125 1 . . . rr_1v50 1
126 1 . . . rr_1v50 1
127 1 . . . rr_1v50 1
128 1 . . . rr_1v50 1
129 1 . . . rr_1v50 1
130 1 . . . rr_1v50 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Contribution_fractional_val
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Atom_type
_Dist_constraint.Atom_isotope_number
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_entity_assembly_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 . 1 . 1 1 3 3 LYS H H . . . . 1 . HN rr_1v50 1
1 1 . 2 . 1 1 3 3 LYS HB3 H . . . . 1 . HB1 rr_1v50 1
2 2 . 1 . 1 1 3 3 LYS H H . . . . 1 . HN rr_1v50 1
2 2 . 2 . 1 1 3 3 LYS HG2 H . . . . 1 . HG* rr_1v50 1
2 3 . 1 . 1 1 3 3 LYS H H . . . . 1 . HN rr_1v50 1
2 3 . 2 . 1 1 3 3 LYS HG3 H . . . . 1 . HG* rr_1v50 1
3 1 . 1 . 1 1 4 4 ILE HA H . . . . 2 . HA rr_1v50 1
3 1 . 2 . 1 1 4 4 ILE HB H . . . . 2 . HB rr_1v50 1
4 1 . 1 . 1 1 4 4 ILE HA H . . . . 2 . HA rr_1v50 1
4 1 . 2 . 1 1 4 4 ILE HG12 H . . . . 2 . HG12 rr_1v50 1
5 1 . 1 . 1 1 4 4 ILE H H . . . . 2 . HN rr_1v50 1
5 1 . 2 . 1 1 3 3 LYS HA H . . . . 1 . HA rr_1v50 1
6 1 . 1 . 1 1 4 4 ILE H H . . . . 2 . HN rr_1v50 1
6 1 . 2 . 1 1 3 3 LYS HB2 H . . . . 1 . HB2 rr_1v50 1
7 1 . 1 . 1 1 4 4 ILE H H . . . . 2 . HN rr_1v50 1
7 1 . 2 . 1 1 4 4 ILE HA H . . . . 2 . HA rr_1v50 1
8 1 . 1 . 1 1 4 4 ILE H H . . . . 2 . HN rr_1v50 1
8 1 . 2 . 1 1 4 4 ILE HB H . . . . 2 . HB rr_1v50 1
9 1 . 1 . 1 1 4 4 ILE H H . . . . 2 . HN rr_1v50 1
9 1 . 2 . 1 1 4 4 ILE MD H . . . . 2 . HD1* rr_1v50 1
10 1 . 1 . 1 1 4 4 ILE H H . . . . 2 . HN rr_1v50 1
10 1 . 2 . 1 1 4 4 ILE HG13 H . . . . 2 . HG11 rr_1v50 1
11 1 . 1 . 1 1 4 4 ILE H H . . . . 2 . HN rr_1v50 1
11 1 . 2 . 1 1 4 4 ILE HG12 H . . . . 2 . HG12 rr_1v50 1
12 1 . 1 . 1 1 4 4 ILE H H . . . . 2 . HN rr_1v50 1
12 1 . 2 . 1 1 4 4 ILE MG H . . . . 2 . HG2* rr_1v50 1
13 1 . 1 . 1 1 5 5 SER HA H . . . . 3 . HA rr_1v50 1
13 1 . 2 . 1 1 5 5 SER HB3 H . . . . 3 . HB1 rr_1v50 1
14 1 . 1 . 1 1 5 5 SER HA H . . . . 3 . HA rr_1v50 1
14 1 . 2 . 1 1 5 5 SER HB2 H . . . . 3 . HB2 rr_1v50 1
15 1 . 1 . 1 1 5 5 SER H H . . . . 3 . HN rr_1v50 1
15 1 . 2 . 1 1 4 4 ILE HA H . . . . 2 . HA rr_1v50 1
16 1 . 1 . 1 1 5 5 SER H H . . . . 3 . HN rr_1v50 1
16 1 . 2 . 1 1 4 4 ILE HB H . . . . 2 . HB rr_1v50 1
17 1 . 1 . 1 1 5 5 SER H H . . . . 3 . HN rr_1v50 1
17 1 . 2 . 1 1 4 4 ILE HG13 H . . . . 2 . HG11 rr_1v50 1
18 1 . 1 . 1 1 5 5 SER H H . . . . 3 . HN rr_1v50 1
18 1 . 2 . 1 1 4 4 ILE MG H . . . . 2 . HG2* rr_1v50 1
19 1 . 1 . 1 1 5 5 SER H H . . . . 3 . HN rr_1v50 1
19 1 . 2 . 1 1 5 5 SER HB3 H . . . . 3 . HB1 rr_1v50 1
20 1 . 1 . 1 1 5 5 SER H H . . . . 3 . HN rr_1v50 1
20 1 . 2 . 1 1 5 5 SER HB2 H . . . . 3 . HB2 rr_1v50 1
21 2 . 1 . 1 1 6 6 SER HA H . . . . 4 . HA rr_1v50 1
21 2 . 2 . 1 1 6 6 SER HB2 H . . . . 4 . HB* rr_1v50 1
21 3 . 1 . 1 1 6 6 SER HA H . . . . 4 . HA rr_1v50 1
21 3 . 2 . 1 1 6 6 SER HB3 H . . . . 4 . HB* rr_1v50 1
22 2 . 1 . 1 1 6 6 SER HA H . . . . 4 . HA rr_1v50 1
22 2 . 2 . 1 1 7 7 PRO HD2 H . . . . 5 . HD* rr_1v50 1
22 3 . 1 . 1 1 6 6 SER HA H . . . . 4 . HA rr_1v50 1
22 3 . 2 . 1 1 7 7 PRO HD3 H . . . . 5 . HD* rr_1v50 1
23 1 . 1 . 1 1 6 6 SER H H . . . . 4 . HN rr_1v50 1
23 1 . 2 . 1 1 5 5 SER HA H . . . . 3 . HA rr_1v50 1
24 1 . 1 . 1 1 6 6 SER H H . . . . 4 . HN rr_1v50 1
24 1 . 2 . 1 1 5 5 SER H H . . . . 3 . HN rr_1v50 1
25 1 . 1 . 1 1 8 8 THR HB H . . . . 6 . HB rr_1v50 1
25 1 . 2 . 1 1 8 8 THR HA H . . . . 6 . HA rr_1v50 1
26 1 . 1 . 1 1 8 8 THR HB H . . . . 6 . HB rr_1v50 1
26 1 . 2 . 1 1 8 8 THR MG H . . . . 6 . HG2* rr_1v50 1
27 1 . 1 . 1 1 8 8 THR H H . . . . 6 . HN rr_1v50 1
27 1 . 2 . 1 1 7 7 PRO HB2 H . . . . 5 . HB2 rr_1v50 1
28 2 . 1 . 1 1 8 8 THR H H . . . . 6 . HN rr_1v50 1
28 2 . 2 . 1 1 7 7 PRO HG2 H . . . . 5 . HG* rr_1v50 1
28 3 . 1 . 1 1 8 8 THR H H . . . . 6 . HN rr_1v50 1
28 3 . 2 . 1 1 7 7 PRO HG3 H . . . . 5 . HG* rr_1v50 1
29 1 . 1 . 1 1 8 8 THR H H . . . . 6 . HN rr_1v50 1
29 1 . 2 . 1 1 8 8 THR MG H . . . . 6 . HG2* rr_1v50 1
30 2 . 1 . 1 1 9 9 GLU HA H . . . . 7 . HA rr_1v50 1
30 2 . 2 . 1 1 12 12 ARG HB2 H . . . . 10 . HB* rr_1v50 1
30 3 . 1 . 1 1 9 9 GLU HA H . . . . 7 . HA rr_1v50 1
30 3 . 2 . 1 1 12 12 ARG HB3 H . . . . 10 . HB* rr_1v50 1
31 2 . 1 . 1 1 9 9 GLU HA H . . . . 7 . HA rr_1v50 1
31 2 . 2 . 1 1 9 9 GLU HB2 H . . . . 7 . HB* rr_1v50 1
31 3 . 1 . 1 1 9 9 GLU HA H . . . . 7 . HA rr_1v50 1
31 3 . 2 . 1 1 9 9 GLU HB3 H . . . . 7 . HB* rr_1v50 1
32 2 . 1 . 1 1 9 9 GLU HA H . . . . 7 . HA rr_1v50 1
32 2 . 2 . 1 1 9 9 GLU HG2 H . . . . 7 . HG* rr_1v50 1
32 3 . 1 . 1 1 9 9 GLU HA H . . . . 7 . HA rr_1v50 1
32 3 . 2 . 1 1 9 9 GLU HG3 H . . . . 7 . HG* rr_1v50 1
33 1 . 1 . 1 1 9 9 GLU H H . . . . 7 . HN rr_1v50 1
33 1 . 2 . 1 1 8 8 THR HA H . . . . 6 . HA rr_1v50 1
34 1 . 1 . 1 1 9 9 GLU H H . . . . 7 . HN rr_1v50 1
34 1 . 2 . 1 1 8 8 THR MG H . . . . 6 . HG2* rr_1v50 1
35 1 . 1 . 1 1 9 9 GLU H H . . . . 7 . HN rr_1v50 1
35 1 . 2 . 1 1 8 8 THR H H . . . . 6 . HN rr_1v50 1
36 1 . 1 . 1 1 9 9 GLU H H . . . . 7 . HN rr_1v50 1
36 1 . 2 . 1 1 9 9 GLU HA H . . . . 7 . HA rr_1v50 1
37 2 . 1 . 1 1 9 9 GLU H H . . . . 7 . HN rr_1v50 1
37 2 . 2 . 1 1 9 9 GLU HB2 H . . . . 7 . HB* rr_1v50 1
37 3 . 1 . 1 1 9 9 GLU H H . . . . 7 . HN rr_1v50 1
37 3 . 2 . 1 1 9 9 GLU HB3 H . . . . 7 . HB* rr_1v50 1
38 2 . 1 . 1 1 9 9 GLU H H . . . . 7 . HN rr_1v50 1
38 2 . 2 . 1 1 9 9 GLU HG2 H . . . . 7 . HG* rr_1v50 1
38 3 . 1 . 1 1 9 9 GLU H H . . . . 7 . HN rr_1v50 1
38 3 . 2 . 1 1 9 9 GLU HG3 H . . . . 7 . HG* rr_1v50 1
39 1 . 1 . 1 1 11 11 GLU HA H . . . . 9 . HA rr_1v50 1
39 1 . 2 . 1 1 14 14 ILE HB H . . . . 12 . HB rr_1v50 1
40 1 . 1 . 1 1 11 11 GLU HA H . . . . 9 . HA rr_1v50 1
40 1 . 2 . 1 1 14 14 ILE HG13 H . . . . 12 . HG11 rr_1v50 1
41 1 . 1 . 1 1 11 11 GLU H H . . . . 9 . HN rr_1v50 1
41 1 . 2 . 1 1 11 11 GLU HA H . . . . 9 . HA rr_1v50 1
42 2 . 1 . 1 1 11 11 GLU H H . . . . 9 . HN rr_1v50 1
42 2 . 2 . 1 1 11 11 GLU HB2 H . . . . 9 . HB* rr_1v50 1
42 3 . 1 . 1 1 11 11 GLU H H . . . . 9 . HN rr_1v50 1
42 3 . 2 . 1 1 11 11 GLU HB3 H . . . . 9 . HB* rr_1v50 1
43 1 . 1 . 1 1 11 11 GLU H H . . . . 9 . HN rr_1v50 1
43 1 . 2 . 1 1 11 11 GLU HG3 H . . . . 9 . HG1 rr_1v50 1
44 1 . 1 . 1 1 11 11 GLU H H . . . . 9 . HN rr_1v50 1
44 1 . 2 . 1 1 11 11 GLU HG2 H . . . . 9 . HG2 rr_1v50 1
45 2 . 1 . 1 1 12 12 ARG HA H . . . . 10 . HA rr_1v50 1
45 2 . 2 . 1 1 12 12 ARG HD2 H . . . . 10 . HD* rr_1v50 1
45 3 . 1 . 1 1 12 12 ARG HA H . . . . 10 . HA rr_1v50 1
45 3 . 2 . 1 1 12 12 ARG HD3 H . . . . 10 . HD* rr_1v50 1
46 1 . 1 . 1 1 12 12 ARG HA H . . . . 10 . HA rr_1v50 1
46 1 . 2 . 1 1 12 12 ARG HG3 H . . . . 10 . HG1 rr_1v50 1
47 1 . 1 . 1 1 12 12 ARG HA H . . . . 10 . HA rr_1v50 1
47 1 . 2 . 1 1 12 12 ARG HG2 H . . . . 10 . HG2 rr_1v50 1
48 2 . 1 . 1 1 12 12 ARG HA H . . . . 10 . HA rr_1v50 1
48 2 . 2 . 1 1 15 15 GLU HB2 H . . . . 13 . HB* rr_1v50 1
48 3 . 1 . 1 1 12 12 ARG HA H . . . . 10 . HA rr_1v50 1
48 3 . 2 . 1 1 15 15 GLU HB3 H . . . . 13 . HB* rr_1v50 1
49 2 . 1 . 1 1 12 12 ARG HD2 H . . . . 10 . HD* rr_1v50 1
49 2 . 2 . 1 1 12 12 ARG HB3 H . . . . 10 . HB* rr_1v50 1
49 3 . 1 . 1 1 12 12 ARG HD3 H . . . . 10 . HD* rr_1v50 1
49 3 . 2 . 1 1 12 12 ARG HB2 H . . . . 10 . HB* rr_1v50 1
49 4 . 1 . 1 1 12 12 ARG HD3 H . . . . 10 . HD* rr_1v50 1
49 4 . 2 . 1 1 12 12 ARG HB3 H . . . . 10 . HB* rr_1v50 1
49 5 . 1 . 1 1 12 12 ARG HD2 H . . . . 10 . HD* rr_1v50 1
49 5 . 2 . 1 1 12 12 ARG HB2 H . . . . 10 . HB* rr_1v50 1
50 2 . 1 . 1 1 12 12 ARG HE H . . . . 10 . HE rr_1v50 1
50 2 . 2 . 1 1 12 12 ARG HB2 H . . . . 10 . HB* rr_1v50 1
50 3 . 1 . 1 1 12 12 ARG HE H . . . . 10 . HE rr_1v50 1
50 3 . 2 . 1 1 12 12 ARG HB3 H . . . . 10 . HB* rr_1v50 1
51 1 . 1 . 1 1 12 12 ARG HE H . . . . 10 . HE rr_1v50 1
51 1 . 2 . 1 1 12 12 ARG HG3 H . . . . 10 . HG1 rr_1v50 1
52 1 . 1 . 1 1 12 12 ARG HE H . . . . 10 . HE rr_1v50 1
52 1 . 2 . 1 1 12 12 ARG HG2 H . . . . 10 . HG2 rr_1v50 1
53 1 . 1 . 1 1 12 12 ARG H H . . . . 10 . HN rr_1v50 1
53 1 . 2 . 1 1 12 12 ARG HA H . . . . 10 . HA rr_1v50 1
54 2 . 1 . 1 1 12 12 ARG H H . . . . 10 . HN rr_1v50 1
54 2 . 2 . 1 1 12 12 ARG HB2 H . . . . 10 . HB* rr_1v50 1
54 3 . 1 . 1 1 12 12 ARG H H . . . . 10 . HN rr_1v50 1
54 3 . 2 . 1 1 12 12 ARG HB3 H . . . . 10 . HB* rr_1v50 1
55 2 . 1 . 1 1 12 12 ARG H H . . . . 10 . HN rr_1v50 1
55 2 . 2 . 1 1 12 12 ARG HD2 H . . . . 10 . HD* rr_1v50 1
55 3 . 1 . 1 1 12 12 ARG H H . . . . 10 . HN rr_1v50 1
55 3 . 2 . 1 1 12 12 ARG HD3 H . . . . 10 . HD* rr_1v50 1
56 1 . 1 . 1 1 12 12 ARG H H . . . . 10 . HN rr_1v50 1
56 1 . 2 . 1 1 12 12 ARG HG3 H . . . . 10 . HG1 rr_1v50 1
57 1 . 1 . 1 1 12 12 ARG H H . . . . 10 . HN rr_1v50 1
57 1 . 2 . 1 1 12 12 ARG HG2 H . . . . 10 . HG2 rr_1v50 1
58 1 . 1 . 1 1 13 13 CYS HA H . . . . 11 . HA rr_1v50 1
58 1 . 2 . 1 1 16 16 SER HB3 H . . . . 14 . HB1 rr_1v50 1
59 1 . 1 . 1 1 13 13 CYS HA H . . . . 11 . HA rr_1v50 1
59 1 . 2 . 1 1 16 16 SER HB2 H . . . . 14 . HB2 rr_1v50 1
60 1 . 1 . 1 1 13 13 CYS H H . . . . 11 . HN rr_1v50 1
60 1 . 2 . 1 1 12 12 ARG HA H . . . . 10 . HA rr_1v50 1
61 2 . 1 . 1 1 13 13 CYS H H . . . . 11 . HN rr_1v50 1
61 2 . 2 . 1 1 12 12 ARG HB2 H . . . . 10 . HB* rr_1v50 1
61 3 . 1 . 1 1 13 13 CYS H H . . . . 11 . HN rr_1v50 1
61 3 . 2 . 1 1 12 12 ARG HB3 H . . . . 10 . HB* rr_1v50 1
62 1 . 1 . 1 1 13 13 CYS H H . . . . 11 . HN rr_1v50 1
62 1 . 2 . 1 1 12 12 ARG H H . . . . 10 . HN rr_1v50 1
63 1 . 1 . 1 1 13 13 CYS H H . . . . 11 . HN rr_1v50 1
63 1 . 2 . 1 1 13 13 CYS HA H . . . . 11 . HA rr_1v50 1
64 1 . 1 . 1 1 13 13 CYS H H . . . . 11 . HN rr_1v50 1
64 1 . 2 . 1 1 13 13 CYS HB3 H . . . . 11 . HB1 rr_1v50 1
65 1 . 1 . 1 1 13 13 CYS H H . . . . 11 . HN rr_1v50 1
65 1 . 2 . 1 1 13 13 CYS HB2 H . . . . 11 . HB2 rr_1v50 1
66 1 . 1 . 1 1 14 14 ILE HA H . . . . 12 . HA rr_1v50 1
66 1 . 2 . 1 1 14 14 ILE HB H . . . . 12 . HB rr_1v50 1
67 1 . 1 . 1 1 14 14 ILE HA H . . . . 12 . HA rr_1v50 1
67 1 . 2 . 1 1 14 14 ILE MD H . . . . 12 . HD1* rr_1v50 1
68 1 . 1 . 1 1 14 14 ILE HA H . . . . 12 . HA rr_1v50 1
68 1 . 2 . 1 1 14 14 ILE HG13 H . . . . 12 . HG11 rr_1v50 1
69 1 . 1 . 1 1 14 14 ILE HA H . . . . 12 . HA rr_1v50 1
69 1 . 2 . 1 1 14 14 ILE HG12 H . . . . 12 . HG12 rr_1v50 1
70 1 . 1 . 1 1 14 14 ILE HA H . . . . 12 . HA rr_1v50 1
70 1 . 2 . 1 1 14 14 ILE MG H . . . . 12 . HG2* rr_1v50 1
71 1 . 1 . 1 1 14 14 ILE HA H . . . . 12 . HA rr_1v50 1
71 1 . 2 . 1 1 17 17 LEU HG H . . . . 15 . HG rr_1v50 1
72 1 . 1 . 1 1 14 14 ILE H H . . . . 12 . HN rr_1v50 1
72 1 . 2 . 1 1 11 11 GLU HA H . . . . 9 . HA rr_1v50 1
73 1 . 1 . 1 1 14 14 ILE H H . . . . 12 . HN rr_1v50 1
73 1 . 2 . 1 1 14 14 ILE HA H . . . . 12 . HA rr_1v50 1
74 1 . 1 . 1 1 14 14 ILE H H . . . . 12 . HN rr_1v50 1
74 1 . 2 . 1 1 14 14 ILE HB H . . . . 12 . HB rr_1v50 1
75 1 . 1 . 1 1 14 14 ILE H H . . . . 12 . HN rr_1v50 1
75 1 . 2 . 1 1 14 14 ILE MD H . . . . 12 . HD1* rr_1v50 1
76 1 . 1 . 1 1 14 14 ILE H H . . . . 12 . HN rr_1v50 1
76 1 . 2 . 1 1 14 14 ILE HG13 H . . . . 12 . HG11 rr_1v50 1
77 1 . 1 . 1 1 14 14 ILE H H . . . . 12 . HN rr_1v50 1
77 1 . 2 . 1 1 14 14 ILE HG12 H . . . . 12 . HG12 rr_1v50 1
78 1 . 1 . 1 1 14 14 ILE H H . . . . 12 . HN rr_1v50 1
78 1 . 2 . 1 1 14 14 ILE MG H . . . . 12 . HG2* rr_1v50 1
79 1 . 1 . 1 1 15 15 GLU HA H . . . . 13 . HA rr_1v50 1
79 1 . 2 . 1 1 18 18 ILE MD H . . . . 16 . HD1* rr_1v50 1
80 1 . 1 . 1 1 15 15 GLU HA H . . . . 13 . HA rr_1v50 1
80 1 . 2 . 1 1 18 18 ILE HG13 H . . . . 16 . HG11 rr_1v50 1
81 1 . 1 . 1 1 15 15 GLU HA H . . . . 13 . HA rr_1v50 1
81 1 . 2 . 1 1 18 18 ILE HG12 H . . . . 16 . HG12 rr_1v50 1
82 1 . 1 . 1 1 15 15 GLU HA H . . . . 13 . HA rr_1v50 1
82 1 . 2 . 1 1 18 18 ILE MG H . . . . 16 . HG2* rr_1v50 1
83 1 . 1 . 1 1 15 15 GLU H H . . . . 13 . HN rr_1v50 1
83 1 . 2 . 1 1 12 12 ARG HA H . . . . 10 . HA rr_1v50 1
84 1 . 1 . 1 1 15 15 GLU H H . . . . 13 . HN rr_1v50 1
84 1 . 2 . 1 1 14 14 ILE HA H . . . . 12 . HA rr_1v50 1
85 1 . 1 . 1 1 15 15 GLU H H . . . . 13 . HN rr_1v50 1
85 1 . 2 . 1 1 14 14 ILE HB H . . . . 12 . HB rr_1v50 1
86 1 . 1 . 1 1 15 15 GLU H H . . . . 13 . HN rr_1v50 1
86 1 . 2 . 1 1 14 14 ILE HG13 H . . . . 12 . HG11 rr_1v50 1
87 1 . 1 . 1 1 15 15 GLU H H . . . . 13 . HN rr_1v50 1
87 1 . 2 . 1 1 14 14 ILE HG12 H . . . . 12 . HG12 rr_1v50 1
88 1 . 1 . 1 1 15 15 GLU H H . . . . 13 . HN rr_1v50 1
88 1 . 2 . 1 1 14 14 ILE MG H . . . . 12 . HG2* rr_1v50 1
89 1 . 1 . 1 1 15 15 GLU H H . . . . 13 . HN rr_1v50 1
89 1 . 2 . 1 1 14 14 ILE H H . . . . 12 . HN rr_1v50 1
90 1 . 1 . 1 1 15 15 GLU H H . . . . 13 . HN rr_1v50 1
90 1 . 2 . 1 1 15 15 GLU HA H . . . . 13 . HA rr_1v50 1
91 2 . 1 . 1 1 15 15 GLU H H . . . . 13 . HN rr_1v50 1
91 2 . 2 . 1 1 15 15 GLU HB2 H . . . . 13 . HB* rr_1v50 1
91 3 . 1 . 1 1 15 15 GLU H H . . . . 13 . HN rr_1v50 1
91 3 . 2 . 1 1 15 15 GLU HB3 H . . . . 13 . HB* rr_1v50 1
92 1 . 1 . 1 1 15 15 GLU H H . . . . 13 . HN rr_1v50 1
92 1 . 2 . 1 1 15 15 GLU HG3 H . . . . 13 . HG1 rr_1v50 1
93 1 . 1 . 1 1 15 15 GLU H H . . . . 13 . HN rr_1v50 1
93 1 . 2 . 1 1 15 15 GLU HG2 H . . . . 13 . HG2 rr_1v50 1
94 1 . 1 . 1 1 15 15 GLU H H . . . . 13 . HN rr_1v50 1
94 1 . 2 . 1 1 16 16 SER H H . . . . 14 . HN rr_1v50 1
95 1 . 1 . 1 1 16 16 SER HA H . . . . 14 . HA rr_1v50 1
95 1 . 2 . 1 1 16 16 SER HB3 H . . . . 14 . HB1 rr_1v50 1
96 1 . 1 . 1 1 16 16 SER HA H . . . . 14 . HA rr_1v50 1
96 1 . 2 . 1 1 16 16 SER HB2 H . . . . 14 . HB2 rr_1v50 1
97 1 . 1 . 1 1 16 16 SER HA H . . . . 14 . HA rr_1v50 1
97 1 . 2 . 1 1 19 19 ALA MB H . . . . 17 . HB* rr_1v50 1
98 1 . 1 . 1 1 16 16 SER H H . . . . 14 . HN rr_1v50 1
98 1 . 2 . 1 1 13 13 CYS HA H . . . . 11 . HA rr_1v50 1
99 2 . 1 . 1 1 16 16 SER H H . . . . 14 . HN rr_1v50 1
99 2 . 2 . 1 1 15 15 GLU HB2 H . . . . 13 . HB* rr_1v50 1
99 3 . 1 . 1 1 16 16 SER H H . . . . 14 . HN rr_1v50 1
99 3 . 2 . 1 1 15 15 GLU HB3 H . . . . 13 . HB* rr_1v50 1
100 1 . 1 . 1 1 16 16 SER H H . . . . 14 . HN rr_1v50 1
100 1 . 2 . 1 1 16 16 SER HA H . . . . 14 . HA rr_1v50 1
101 1 . 1 . 1 1 16 16 SER H H . . . . 14 . HN rr_1v50 1
101 1 . 2 . 1 1 16 16 SER HB2 H . . . . 14 . HB2 rr_1v50 1
102 1 . 1 . 1 1 17 17 LEU HA H . . . . 15 . HA rr_1v50 1
102 1 . 2 . 1 1 17 17 LEU HB3 H . . . . 15 . HB1 rr_1v50 1
103 1 . 1 . 1 1 17 17 LEU HA H . . . . 15 . HA rr_1v50 1
103 1 . 2 . 1 1 17 17 LEU HB2 H . . . . 15 . HB2 rr_1v50 1
104 1 . 1 . 1 1 17 17 LEU HA H . . . . 15 . HA rr_1v50 1
104 1 . 2 . 1 1 17 17 LEU MD2 H . . . . 15 . HD2* rr_1v50 1
105 1 . 1 . 1 1 17 17 LEU HA H . . . . 15 . HA rr_1v50 1
105 1 . 2 . 1 1 17 17 LEU HG H . . . . 15 . HG rr_1v50 1
106 1 . 1 . 1 1 17 17 LEU H H . . . . 15 . HN rr_1v50 1
106 1 . 2 . 1 1 14 14 ILE HA H . . . . 12 . HA rr_1v50 1
107 1 . 1 . 1 1 17 17 LEU H H . . . . 15 . HN rr_1v50 1
107 1 . 2 . 1 1 16 16 SER HB3 H . . . . 14 . HB1 rr_1v50 1
108 1 . 1 . 1 1 17 17 LEU H H . . . . 15 . HN rr_1v50 1
108 1 . 2 . 1 1 17 17 LEU HA H . . . . 15 . HA rr_1v50 1
109 1 . 1 . 1 1 17 17 LEU H H . . . . 15 . HN rr_1v50 1
109 1 . 2 . 1 1 17 17 LEU HB3 H . . . . 15 . HB1 rr_1v50 1
110 1 . 1 . 1 1 17 17 LEU H H . . . . 15 . HN rr_1v50 1
110 1 . 2 . 1 1 17 17 LEU HB2 H . . . . 15 . HB2 rr_1v50 1
111 1 . 1 . 1 1 17 17 LEU H H . . . . 15 . HN rr_1v50 1
111 1 . 2 . 1 1 17 17 LEU MD1 H . . . . 15 . HD1* rr_1v50 1
112 1 . 1 . 1 1 17 17 LEU H H . . . . 15 . HN rr_1v50 1
112 1 . 2 . 1 1 17 17 LEU MD2 H . . . . 15 . HD2* rr_1v50 1
113 1 . 1 . 1 1 17 17 LEU H H . . . . 15 . HN rr_1v50 1
113 1 . 2 . 1 1 17 17 LEU HG H . . . . 15 . HG rr_1v50 1
114 1 . 1 . 1 1 17 17 LEU H H . . . . 15 . HN rr_1v50 1
114 1 . 2 . 1 1 18 18 ILE H H . . . . 16 . HN rr_1v50 1
115 1 . 1 . 1 1 18 18 ILE HA H . . . . 16 . HA rr_1v50 1
115 1 . 2 . 1 1 18 18 ILE HB H . . . . 16 . HB rr_1v50 1
116 1 . 1 . 1 1 18 18 ILE HA H . . . . 16 . HA rr_1v50 1
116 1 . 2 . 1 1 18 18 ILE HG13 H . . . . 16 . HG11 rr_1v50 1
117 1 . 1 . 1 1 18 18 ILE HA H . . . . 16 . HA rr_1v50 1
117 1 . 2 . 1 1 18 18 ILE HG12 H . . . . 16 . HG12 rr_1v50 1
118 1 . 1 . 1 1 18 18 ILE HA H . . . . 16 . HA rr_1v50 1
118 1 . 2 . 1 1 18 18 ILE MG H . . . . 16 . HG2* rr_1v50 1
119 1 . 1 . 1 1 18 18 ILE H H . . . . 16 . HN rr_1v50 1
119 1 . 2 . 1 1 15 15 GLU HA H . . . . 13 . HA rr_1v50 1
120 1 . 1 . 1 1 18 18 ILE H H . . . . 16 . HN rr_1v50 1
120 1 . 2 . 1 1 17 17 LEU HA H . . . . 15 . HA rr_1v50 1
121 1 . 1 . 1 1 18 18 ILE H H . . . . 16 . HN rr_1v50 1
121 1 . 2 . 1 1 17 17 LEU HB3 H . . . . 15 . HB1 rr_1v50 1
122 1 . 1 . 1 1 18 18 ILE H H . . . . 16 . HN rr_1v50 1
122 1 . 2 . 1 1 17 17 LEU HB2 H . . . . 15 . HB2 rr_1v50 1
123 1 . 1 . 1 1 18 18 ILE H H . . . . 16 . HN rr_1v50 1
123 1 . 2 . 1 1 18 18 ILE HA H . . . . 16 . HA rr_1v50 1
124 1 . 1 . 1 1 18 18 ILE H H . . . . 16 . HN rr_1v50 1
124 1 . 2 . 1 1 18 18 ILE HB H . . . . 16 . HB rr_1v50 1
125 1 . 1 . 1 1 18 18 ILE H H . . . . 16 . HN rr_1v50 1
125 1 . 2 . 1 1 18 18 ILE MD H . . . . 16 . HD1* rr_1v50 1
126 1 . 1 . 1 1 18 18 ILE H H . . . . 16 . HN rr_1v50 1
126 1 . 2 . 1 1 18 18 ILE HG13 H . . . . 16 . HG11 rr_1v50 1
127 1 . 1 . 1 1 18 18 ILE H H . . . . 16 . HN rr_1v50 1
127 1 . 2 . 1 1 18 18 ILE HG12 H . . . . 16 . HG12 rr_1v50 1
128 1 . 1 . 1 1 19 19 ALA H H . . . . 17 . HN rr_1v50 1
128 1 . 2 . 1 1 18 18 ILE MG H . . . . 16 . HG2* rr_1v50 1
129 1 . 1 . 1 1 19 19 ALA H H . . . . 17 . HN rr_1v50 1
129 1 . 2 . 1 1 19 19 ALA HA H . . . . 17 . HA rr_1v50 1
130 1 . 1 . 1 1 19 19 ALA H H . . . . 17 . HN rr_1v50 1
130 1 . 2 . 1 1 19 19 ALA MB H . . . . 17 . HB* rr_1v50 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Spectral_peak_list_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . 3.34 2.59 4.09 rr_1v50 1
2 2 . . . . . . 3.28 2.45 4.11 rr_1v50 1
2 3 . . . . . . 3.28 2.45 4.11 rr_1v50 1
3 1 . . . . . . 2.60 2.10 3.10 rr_1v50 1
4 1 . . . . . . 3.17 2.55 3.78 rr_1v50 1
5 1 . . . . . . 2.76 2.19 3.34 rr_1v50 1
6 1 . . . . . . 3.72 2.81 4.64 rr_1v50 1
7 1 . . . . . . 3.12 2.44 3.79 rr_1v50 1
8 1 . . . . . . 2.87 2.27 3.47 rr_1v50 1
9 1 . . . . . . 4.20 2.91 5.49 rr_1v50 1
10 1 . . . . . . 3.36 2.60 4.12 rr_1v50 1
11 1 . . . . . . 3.24 2.52 3.95 rr_1v50 1
12 1 . . . . . . 3.62 2.60 4.63 rr_1v50 1
13 1 . . . . . . 2.37 1.92 2.82 rr_1v50 1
14 1 . . . . . . 2.37 1.92 2.82 rr_1v50 1
15 1 . . . . . . 2.66 2.11 3.20 rr_1v50 1
16 1 . . . . . . 3.12 2.44 3.79 rr_1v50 1
17 1 . . . . . . 3.80 2.84 4.76 rr_1v50 1
18 1 . . . . . . 3.62 2.60 4.63 rr_1v50 1
19 1 . . . . . . 3.44 2.65 4.23 rr_1v50 1
20 1 . . . . . . 3.46 2.66 4.26 rr_1v50 1
21 2 . . . . . . 2.56 1.95 3.16 rr_1v50 1
21 3 . . . . . . 2.56 1.95 3.16 rr_1v50 1
22 2 . . . . . . 2.23 1.70 2.77 rr_1v50 1
22 3 . . . . . . 2.23 1.70 2.77 rr_1v50 1
23 1 . . . . . . 3.58 2.73 4.42 rr_1v50 1
24 1 . . . . . . 3.07 2.41 3.73 rr_1v50 1
25 1 . . . . . . 2.26 1.83 2.69 rr_1v50 1
26 1 . . . . . . 2.52 1.84 3.19 rr_1v50 1
27 1 . . . . . . 3.56 2.72 4.40 rr_1v50 1
28 2 . . . . . . 3.50 2.59 4.41 rr_1v50 1
28 3 . . . . . . 3.50 2.59 4.41 rr_1v50 1
29 1 . . . . . . 3.01 2.19 3.84 rr_1v50 1
30 2 . . . . . . 2.52 1.92 3.12 rr_1v50 1
30 3 . . . . . . 2.52 1.92 3.12 rr_1v50 1
31 2 . . . . . . 2.46 1.88 3.04 rr_1v50 1
31 3 . . . . . . 2.46 1.88 3.04 rr_1v50 1
32 2 . . . . . . 2.79 2.14 3.45 rr_1v50 1
32 3 . . . . . . 2.79 2.14 3.45 rr_1v50 1
33 1 . . . . . . 3.28 2.55 4.01 rr_1v50 1
34 1 . . . . . . 3.79 2.71 4.87 rr_1v50 1
35 1 . . . . . . 3.34 2.59 4.09 rr_1v50 1
36 1 . . . . . . 3.04 2.39 3.70 rr_1v50 1
37 2 . . . . . . 2.74 2.06 3.42 rr_1v50 1
37 3 . . . . . . 2.74 2.06 3.42 rr_1v50 1
38 2 . . . . . . 3.13 2.35 3.91 rr_1v50 1
38 3 . . . . . . 3.13 2.35 3.91 rr_1v50 1
39 1 . . . . . . 2.73 2.21 3.25 rr_1v50 1
40 1 . . . . . . 3.71 2.95 4.47 rr_1v50 1
41 1 . . . . . . 2.73 2.17 3.29 rr_1v50 1
42 2 . . . . . . 2.94 2.21 3.67 rr_1v50 1
42 3 . . . . . . 2.94 2.21 3.67 rr_1v50 1
43 1 . . . . . . 3.10 2.43 3.77 rr_1v50 1
44 1 . . . . . . 3.31 2.57 4.05 rr_1v50 1
45 2 . . . . . . 3.15 2.42 3.88 rr_1v50 1
45 3 . . . . . . 3.15 2.42 3.88 rr_1v50 1
46 1 . . . . . . 2.94 2.38 3.50 rr_1v50 1
47 1 . . . . . . 2.84 2.30 3.38 rr_1v50 1
48 2 . . . . . . 2.52 1.92 3.12 rr_1v50 1
48 3 . . . . . . 2.52 1.92 3.12 rr_1v50 1
49 2 . . . . . . 2.87 2.08 3.65 rr_1v50 1
49 3 . . . . . . 2.87 2.08 3.65 rr_1v50 1
49 4 . . . . . . 2.87 2.08 3.65 rr_1v50 1
49 5 . . . . . . 2.87 2.08 3.65 rr_1v50 1
50 2 . . . . . . 3.75 2.75 4.75 rr_1v50 1
50 3 . . . . . . 3.75 2.75 4.75 rr_1v50 1
51 1 . . . . . . 3.77 2.83 4.71 rr_1v50 1
52 1 . . . . . . 3.93 2.90 4.96 rr_1v50 1
53 1 . . . . . . 2.92 2.30 3.53 rr_1v50 1
54 2 . . . . . . 2.72 2.05 3.40 rr_1v50 1
54 3 . . . . . . 2.72 2.05 3.40 rr_1v50 1
55 2 . . . . . . 4.20 2.95 5.45 rr_1v50 1
55 3 . . . . . . 4.20 2.95 5.45 rr_1v50 1
56 1 . . . . . . 2.91 2.29 3.52 rr_1v50 1
57 1 . . . . . . 3.31 2.57 4.06 rr_1v50 1
58 1 . . . . . . 3.19 2.57 3.81 rr_1v50 1
59 1 . . . . . . 3.19 2.57 3.81 rr_1v50 1
60 1 . . . . . . 2.96 2.34 3.58 rr_1v50 1
61 2 . . . . . . 2.50 1.88 3.12 rr_1v50 1
61 3 . . . . . . 2.50 1.88 3.12 rr_1v50 1
62 1 . . . . . . 2.33 1.85 2.80 rr_1v50 1
63 1 . . . . . . 2.92 2.30 3.53 rr_1v50 1
64 1 . . . . . . 2.67 2.12 3.22 rr_1v50 1
65 1 . . . . . . 2.87 2.26 3.47 rr_1v50 1
66 1 . . . . . . 2.63 2.13 3.13 rr_1v50 1
67 1 . . . . . . 2.99 2.22 3.76 rr_1v50 1
68 1 . . . . . . 3.05 2.46 3.64 rr_1v50 1
69 1 . . . . . . 2.94 2.38 3.50 rr_1v50 1
70 1 . . . . . . 2.77 2.04 3.50 rr_1v50 1
71 1 . . . . . . 3.42 2.75 4.09 rr_1v50 1
72 1 . . . . . . 3.20 2.50 3.90 rr_1v50 1
73 1 . . . . . . 2.58 2.04 3.12 rr_1v50 1
74 1 . . . . . . 2.35 1.87 2.83 rr_1v50 1
75 1 . . . . . . 3.71 2.66 4.76 rr_1v50 1
76 1 . . . . . . 2.73 2.17 3.29 rr_1v50 1
77 1 . . . . . . 2.97 2.34 3.61 rr_1v50 1
78 1 . . . . . . 3.13 2.28 3.99 rr_1v50 1
79 1 . . . . . . 3.15 2.34 3.96 rr_1v50 1
80 1 . . . . . . 2.82 2.28 3.36 rr_1v50 1
81 1 . . . . . . 3.54 2.83 4.25 rr_1v50 1
82 1 . . . . . . 3.13 2.33 3.93 rr_1v50 1
83 1 . . . . . . 4.00 2.93 5.08 rr_1v50 1
84 1 . . . . . . 3.05 2.40 3.71 rr_1v50 1
85 1 . . . . . . 2.92 2.30 3.54 rr_1v50 1
86 1 . . . . . . 4.09 2.97 5.21 rr_1v50 1
87 1 . . . . . . 4.29 3.03 5.55 rr_1v50 1
88 1 . . . . . . 3.41 2.47 4.35 rr_1v50 1
89 1 . . . . . . 2.66 2.11 3.20 rr_1v50 1
90 1 . . . . . . 2.76 2.19 3.33 rr_1v50 1
91 2 . . . . . . 2.67 2.00 3.34 rr_1v50 1
91 3 . . . . . . 2.67 2.00 3.34 rr_1v50 1
92 1 . . . . . . 3.33 2.58 4.08 rr_1v50 1
93 1 . . . . . . 3.58 2.73 4.42 rr_1v50 1
94 1 . . . . . . 2.88 2.28 3.49 rr_1v50 1
95 1 . . . . . . 2.23 1.81 2.65 rr_1v50 1
96 1 . . . . . . 2.31 1.87 2.75 rr_1v50 1
97 1 . . . . . . 2.77 2.04 3.50 rr_1v50 1
98 1 . . . . . . 3.91 2.89 4.92 rr_1v50 1
99 2 . . . . . . 3.15 2.36 3.94 rr_1v50 1
99 3 . . . . . . 3.15 2.36 3.94 rr_1v50 1
100 1 . . . . . . 3.22 2.51 3.93 rr_1v50 1
101 1 . . . . . . 3.26 2.54 3.98 rr_1v50 1
102 1 . . . . . . 2.57 2.08 3.06 rr_1v50 1
103 1 . . . . . . 2.89 2.34 3.44 rr_1v50 1
104 1 . . . . . . 2.60 1.90 3.29 rr_1v50 1
105 1 . . . . . . 2.71 2.19 3.23 rr_1v50 1
106 1 . . . . . . 3.44 2.65 4.23 rr_1v50 1
107 1 . . . . . . 3.50 2.69 4.31 rr_1v50 1
108 1 . . . . . . 2.94 2.32 3.56 rr_1v50 1
109 1 . . . . . . 3.19 2.49 3.89 rr_1v50 1
110 1 . . . . . . 2.70 2.14 3.26 rr_1v50 1
111 1 . . . . . . 3.68 2.64 4.72 rr_1v50 1
112 1 . . . . . . 3.81 2.72 4.90 rr_1v50 1
113 1 . . . . . . 2.85 2.25 3.45 rr_1v50 1
114 1 . . . . . . 2.56 2.04 3.08 rr_1v50 1
115 1 . . . . . . 2.53 2.05 3.01 rr_1v50 1
116 1 . . . . . . 3.19 2.57 3.81 rr_1v50 1
117 1 . . . . . . 3.08 2.48 3.67 rr_1v50 1
118 1 . . . . . . 2.52 1.84 3.19 rr_1v50 1
119 1 . . . . . . 3.65 2.77 4.53 rr_1v50 1
120 1 . . . . . . 3.42 2.64 4.21 rr_1v50 1
121 1 . . . . . . 3.71 2.80 4.62 rr_1v50 1
122 1 . . . . . . 3.38 2.61 4.14 rr_1v50 1
123 1 . . . . . . 2.60 2.06 3.14 rr_1v50 1
124 1 . . . . . . 2.84 2.25 3.44 rr_1v50 1
125 1 . . . . . . 3.78 2.70 4.86 rr_1v50 1
126 1 . . . . . . 2.92 2.30 3.53 rr_1v50 1
127 1 . . . . . . 3.10 2.43 3.77 rr_1v50 1
128 1 . . . . . . 3.13 2.28 3.99 rr_1v50 1
129 1 . . . . . . 2.97 2.34 3.61 rr_1v50 1
130 1 . . . . . . 2.90 2.11 3.69 rr_1v50 1
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1 "message=off echo=off" 2 1 2 28 rr_1v50 1
2 "message=on echo=on" 153 1 153 26 rr_1v50 1
stop_
loop_
_Dist_constraint_conv_err.ID
_Dist_constraint_conv_err.Dist_constraint_parse_file_ID
_Dist_constraint_conv_err.Parse_file_constraint_ID
_Dist_constraint_conv_err.Conv_error_type
_Dist_constraint_conv_err.Conv_error_note
_Dist_constraint_conv_err.Entry_ID
_Dist_constraint_conv_err.Distance_constraint_list_ID
1 2 39 1 "Not handling restraint 39, item 1, resonance(s) ' .8.HA' (nmrStar names),' .8.HG2*' (nmrStar names) not linked" rr_1v50 1
2 2 40 1 "Not handling restraint 40, item 1, resonance(s) ' .8.HA' (nmrStar names) not linked" rr_1v50 1
3 2 41 1 "Not handling restraint 41, item 1, resonance(s) ' .8.HA' (nmrStar names) not linked" rr_1v50 1
4 2 42 1 "Not handling restraint 42, item 1, resonance(s) ' .8.HA' (nmrStar names) not linked" rr_1v50 1
5 2 43 1 "Not handling restraint 43, item 1, resonance(s) ' .8.HA' (nmrStar names),' .8.HB' (nmrStar names) not linked" rr_1v50 1
6 2 44 1 "Not handling restraint 44, item 1, resonance(s) ' .8.HA' (nmrStar names),' .8.HN' (nmrStar names) not linked" rr_1v50 1
7 2 45 1 "Not handling restraint 45, item 1, resonance(s) ' .8.HB' (nmrStar names),' .8.HN' (nmrStar names) not linked" rr_1v50 1
8 2 46 1 "Not handling restraint 46, item 1, resonance(s) ' .8.HG2*' (nmrStar names),' .8.HN' (nmrStar names) not linked" rr_1v50 1
9 2 47 1 "Not handling restraint 47, item 1, resonance(s) ' .8.HN' (nmrStar names) not linked" rr_1v50 1
10 2 48 1 "Not handling restraint 48, item 1, resonance(s) ' .8.HN' (nmrStar names) not linked" rr_1v50 1
11 2 49 1 "Not handling restraint 49, item 1, resonance(s) ' .8.HN' (nmrStar names) not linked" rr_1v50 1
12 2 49 1 "Not handling restraint 49, item 1, resonance(s) ' .8.HN' (nmrStar names) not linked" rr_1v50 1
13 2 50 1 "Not handling restraint 50, item 1, resonance(s) ' .8.HN' (nmrStar names) not linked" rr_1v50 1
14 2 50 1 "Not handling restraint 50, item 1, resonance(s) ' .8.HN' (nmrStar names) not linked" rr_1v50 1
15 2 51 1 "Not handling restraint 51, item 1, resonance(s) ' .8.HN' (nmrStar names) not linked" rr_1v50 1
16 2 54 1 "Not handling restraint 54, item 1, resonance(s) ' .8.HA' (nmrStar names) not linked" rr_1v50 1
17 2 55 1 "Not handling restraint 55, item 1, resonance(s) ' .8.HB' (nmrStar names) not linked" rr_1v50 1
18 2 56 1 "Not handling restraint 56, item 1, resonance(s) ' .8.HG2*' (nmrStar names) not linked" rr_1v50 1
19 2 76 1 "Not handling restraint 76, item 1, resonance(s) ' .8.HA' (nmrStar names) not linked" rr_1v50 1
20 2 89 1 "Not handling restraint 89, item 1, resonance(s) ' .8.HG2*' (nmrStar names) not linked" rr_1v50 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_1v50
_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 METAL BINDING PROTEIN 20-NOV-03 1V50 *TITLE SOLUTION STRUCTURE OF PHOSPHORYLATED N-TERMINAL FRAGMENT OF *TITLE 2 S100C/A11 PROTEIN *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: CALGIZZARIN; *COMPND 3 CHAIN: A; *COMPND 4 FRAGMENT: N-TERMINAL FRAGMENT; *COMPND 5 SYNONYM: S100C PROTEIN, MLN 70, S100C/A11; *COMPND 6 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 OTHER_DETAILS: THE SEQUENCE OF THE PEPTIDE WAS CHEMICALLY *SOURCE 4 SYNTHESIZED. THE SEQUENCE OF THE PEPTIDE IS NATURALLY *SOURCE 5 FOUND IN HOMO SAPIENS (HUMAN) *KEYWDS ALPHA-HELIX *EXPDTA NMR, MINIMIZED AVERAGE STRUCTURE *AUTHOR T.KOUNO, M.MIZUGUCHI, M.SAKAGUCHI, E.MAKINO, N.HUH, K.KAWANO *REVDAT 1 22-MAR-05 1V50 0"
save_
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