Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
583183 | 2mu7 RC | 25201 | cing | 3-converted-DOCR | STAR | entry | full | 152 |
data_DOCR_restraints_with_modified_coordinates_PDB_code_2mu7
# This DOCR archive file contains, for PDB entry <2mu7>:
#
# - 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, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister,
# G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for
# 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389–396.
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID rr_2mu7
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 2mu7"
_Entry.Version_type original
_Entry.NMR_STAR_version 3.1.0.8
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype solution
_Entry.Details "Contains the remediated restraint lists and coordinates for PDB entry 2mu7"
_Entry.PDB_coordinate_file_version 3.20
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2mu7 "Master copy" rr_2mu7
stop_
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_2mu7
_Assembly.ID 1
_Assembly.Name 2mu7
_Assembly.Number_of_components 1
_Assembly.Organic_ligands 0
_Assembly.Metal_ions 0
_Assembly.Non_standard_bonds no
_Assembly.Paramagnetic no
_Assembly.Thiol_state "not present"
_Assembly.Molecular_mass 2161.4285
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 "1513 MSP 1 peptide" 1 $1513_MSP_1_peptide A . no . . . . . . rr_2mu7 1
stop_
save_
save_1513_MSP_1_peptide
_Entity.Sf_category entity
_Entity.Sf_framecode 1513_MSP_1_peptide
_Entity.Entry_ID rr_2mu7
_Entity.ID 1
_Entity.Name 1513_MSP_1_peptide
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code GYSLFQKEKMVLNEGTSGTA
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer no
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Number_of_monomers 20
_Entity.Paramagnetic no
_Entity.Thiol_state "not present"
_Entity.Parent_entity_ID 1
_Entity.Formula_weight 2161.4285
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 . GLY . rr_2mu7 1
2 . TYR . rr_2mu7 1
3 . SER . rr_2mu7 1
4 . LEU . rr_2mu7 1
5 . PHE . rr_2mu7 1
6 . GLN . rr_2mu7 1
7 . LYS . rr_2mu7 1
8 . GLU . rr_2mu7 1
9 . LYS . rr_2mu7 1
10 . MET . rr_2mu7 1
11 . VAL . rr_2mu7 1
12 . LEU . rr_2mu7 1
13 . ASN . rr_2mu7 1
14 . GLU . rr_2mu7 1
15 . GLY . rr_2mu7 1
16 . THR . rr_2mu7 1
17 . SER . rr_2mu7 1
18 . GLY . rr_2mu7 1
19 . THR . rr_2mu7 1
20 . ALA . rr_2mu7 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
. GLY 1 1 rr_2mu7 1
. TYR 2 2 rr_2mu7 1
. SER 3 3 rr_2mu7 1
. LEU 4 4 rr_2mu7 1
. PHE 5 5 rr_2mu7 1
. GLN 6 6 rr_2mu7 1
. LYS 7 7 rr_2mu7 1
. GLU 8 8 rr_2mu7 1
. LYS 9 9 rr_2mu7 1
. MET 10 10 rr_2mu7 1
. VAL 11 11 rr_2mu7 1
. LEU 12 12 rr_2mu7 1
. ASN 13 13 rr_2mu7 1
. GLU 14 14 rr_2mu7 1
. GLY 15 15 rr_2mu7 1
. THR 16 16 rr_2mu7 1
. SER 17 17 rr_2mu7 1
. GLY 18 18 rr_2mu7 1
. THR 19 19 rr_2mu7 1
. ALA 20 20 rr_2mu7 1
stop_
save_
save_conformer_statistics
_Conformer_stat_list.Sf_category conformer_statistics
_Conformer_stat_list.Sf_framecode conformer_statistics
_Conformer_stat_list.Entry_ID rr_2mu7
_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_2mu7
_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_2mu7 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_2mu7 1
stop_
loop_
_Atom_site.Assembly_ID
_Atom_site.Model_ID
_Atom_site.Model_site_ID
_Atom_site.ID
_Atom_site.Assembly_atom_ID
_Atom_site.Label_entity_assembly_ID
_Atom_site.Label_entity_ID
_Atom_site.Label_comp_index_ID
_Atom_site.Label_comp_ID
_Atom_site.Label_atom_ID
_Atom_site.Type_symbol
_Atom_site.Cartn_x
_Atom_site.Cartn_y
_Atom_site.Cartn_z
_Atom_site.Cartn_x_esd
_Atom_site.Cartn_y_esd
_Atom_site.Cartn_z_esd
_Atom_site.Occupancy
_Atom_site.Occupancy_esd
_Atom_site.Uncertainty
_Atom_site.Ordered_flag
_Atom_site.Footnote_ID
_Atom_site.PDBX_label_asym_ID
_Atom_site.PDBX_label_seq_ID
_Atom_site.PDBX_label_comp_ID
_Atom_site.PDBX_label_atom_ID
_Atom_site.PDBX_formal_charge
_Atom_site.PDBX_label_entity_ID
_Atom_site.PDB_record_ID
_Atom_site.PDB_model_num
_Atom_site.PDB_strand_ID
_Atom_site.PDB_ins_code
_Atom_site.PDB_residue_no
_Atom_site.PDB_residue_name
_Atom_site.PDB_atom_name
_Atom_site.Auth_entity_assembly_ID
_Atom_site.Auth_asym_ID
_Atom_site.Auth_chain_ID
_Atom_site.Auth_seq_ID
_Atom_site.Auth_comp_ID
_Atom_site.Auth_atom_ID
_Atom_site.Auth_alt_ID
_Atom_site.Auth_atom_name
_Atom_site.Details
_Atom_site.Entry_ID
_Atom_site.Conformer_family_coord_set_ID
. 1 . 1 . 1 1 1 GLY C C 12.183 -4.034 0.114 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . rr_2mu7 1
. 1 . 2 . 1 1 1 GLY CA C 13.723 -4.024 0.015 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . rr_2mu7 1
. 1 . 3 . 1 1 1 GLY H1 H 14.436 -3.275 -1.932 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . rr_2mu7 1
. 1 . 4 . 1 1 1 GLY HA2 H 14.187 -4.815 0.639 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . rr_2mu7 1
. 1 . 5 . 1 1 1 GLY HA3 H 14.087 -3.076 0.452 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . rr_2mu7 1
. 1 . 6 . 1 1 1 GLY N N 14.220 -4.110 -1.377 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . rr_2mu7 1
. 1 . 7 . 1 1 1 GLY O O 11.499 -3.308 -0.616 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . rr_2mu7 1
. 1 . 8 . 1 1 2 TYR C C 9.556 -3.663 1.906 . . . 1.0 . . . . . . . . . . . . A . 2 TYR C . . . . . . . . . rr_2mu7 1
. 1 . 9 . 1 1 2 TYR CA C 10.186 -4.959 1.287 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CA . . . . . . . . . rr_2mu7 1
. 1 . 10 . 1 1 2 TYR CB C 9.836 -6.278 2.064 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CB . . . . . . . . . rr_2mu7 1
. 1 . 11 . 1 1 2 TYR CD1 C 7.801 -7.410 1.024 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CD1 . . . . . . . . . rr_2mu7 1
. 1 . 12 . 1 1 2 TYR CD2 C 7.496 -6.202 3.093 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CD2 . . . . . . . . . rr_2mu7 1
. 1 . 13 . 1 1 2 TYR CE1 C 6.451 -7.751 1.024 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CE1 . . . . . . . . . rr_2mu7 1
. 1 . 14 . 1 1 2 TYR CE2 C 6.144 -6.537 3.087 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CE2 . . . . . . . . . rr_2mu7 1
. 1 . 15 . 1 1 2 TYR CG C 8.336 -6.636 2.060 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CG . . . . . . . . . rr_2mu7 1
. 1 . 16 . 1 1 2 TYR CZ C 5.622 -7.315 2.056 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CZ . . . . . . . . . rr_2mu7 1
. 1 . 17 . 1 1 2 TYR H H 12.313 -5.399 1.581 . . . 1.0 . . . . . . . . . . . . A . 2 TYR H . . . . . . . . . rr_2mu7 1
. 1 . 18 . 1 1 2 TYR HA H 9.764 -5.059 0.274 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HA . . . . . . . . . rr_2mu7 1
. 1 . 19 . 1 1 2 TYR HB2 H 10.383 -7.163 1.665 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HB2 . . . . . . . . . rr_2mu7 1
. 1 . 20 . 1 1 2 TYR HB3 H 10.205 -6.221 3.105 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HB3 . . . . . . . . . rr_2mu7 1
. 1 . 21 . 1 1 2 TYR HD1 H 8.431 -7.755 0.215 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HD1 . . . . . . . . . rr_2mu7 1
. 1 . 22 . 1 1 2 TYR HD2 H 7.887 -5.601 3.902 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HD2 . . . . . . . . . rr_2mu7 1
. 1 . 23 . 1 1 2 TYR HE1 H 6.048 -8.350 0.220 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HE1 . . . . . . . . . rr_2mu7 1
. 1 . 24 . 1 1 2 TYR HE2 H 5.502 -6.194 3.886 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HE2 . . . . . . . . . rr_2mu7 1
. 1 . 25 . 1 1 2 TYR HH H 4.102 -8.172 1.270 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HH . . . . . . . . . rr_2mu7 1
. 1 . 26 . 1 1 2 TYR N N 11.648 -4.843 1.050 . . . 1.0 . . . . . . . . . . . . A . 2 TYR N . . . . . . . . . rr_2mu7 1
. 1 . 27 . 1 1 2 TYR O O 8.563 -3.187 1.353 . . . 1.0 . . . . . . . . . . . . A . 2 TYR O . . . . . . . . . rr_2mu7 1
. 1 . 28 . 1 1 2 TYR OH O 4.291 -7.645 2.050 . . . 1.0 . . . . . . . . . . . . A . 2 TYR OH . . . . . . . . . rr_2mu7 1
. 1 . 29 . 1 1 3 SER C C 10.420 -0.629 2.878 . . . 1.0 . . . . . . . . . . . . A . 3 SER C . . . . . . . . . rr_2mu7 1
. 1 . 30 . 1 1 3 SER CA C 9.644 -1.799 3.563 . . . 1.0 . . . . . . . . . . . . A . 3 SER CA . . . . . . . . . rr_2mu7 1
. 1 . 31 . 1 1 3 SER CB C 9.783 -1.850 5.101 . . . 1.0 . . . . . . . . . . . . A . 3 SER CB . . . . . . . . . rr_2mu7 1
. 1 . 32 . 1 1 3 SER H H 11.126 -2.941 2.745 . . . 1.0 . . . . . . . . . . . . A . 3 SER H . . . . . . . . . rr_2mu7 1
. 1 . 33 . 1 1 3 SER HA H 8.576 -1.710 3.331 . . . 1.0 . . . . . . . . . . . . A . 3 SER HA . . . . . . . . . rr_2mu7 1
. 1 . 34 . 1 1 3 SER HB2 H 9.294 -2.752 5.516 . . . 1.0 . . . . . . . . . . . . A . 3 SER HB2 . . . . . . . . . rr_2mu7 1
. 1 . 35 . 1 1 3 SER HB3 H 10.845 -1.909 5.412 . . . 1.0 . . . . . . . . . . . . A . 3 SER HB3 . . . . . . . . . rr_2mu7 1
. 1 . 36 . 1 1 3 SER HG H 9.656 0.056 5.332 . . . 1.0 . . . . . . . . . . . . A . 3 SER HG . . . . . . . . . rr_2mu7 1
. 1 . 37 . 1 1 3 SER N N 10.145 -3.062 2.972 . . . 1.0 . . . . . . . . . . . . A . 3 SER N . . . . . . . . . rr_2mu7 1
. 1 . 38 . 1 1 3 SER O O 11.245 0.073 3.470 . . . 1.0 . . . . . . . . . . . . A . 3 SER O . . . . . . . . . rr_2mu7 1
. 1 . 39 . 1 1 3 SER OG O 9.185 -0.700 5.690 . . . 1.0 . . . . . . . . . . . . A . 3 SER OG . . . . . . . . . rr_2mu7 1
. 1 . 40 . 1 1 4 LEU C C 9.796 0.560 -0.631 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . rr_2mu7 1
. 1 . 41 . 1 1 4 LEU CA C 10.691 0.490 0.636 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . rr_2mu7 1
. 1 . 42 . 1 1 4 LEU CB C 12.186 0.092 0.451 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . rr_2mu7 1
. 1 . 43 . 1 1 4 LEU CD1 C 13.197 2.247 -0.512 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . rr_2mu7 1
. 1 . 44 . 1 1 4 LEU CD2 C 14.373 0.030 -0.855 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . rr_2mu7 1
. 1 . 45 . 1 1 4 LEU CG C 13.010 0.729 -0.703 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . rr_2mu7 1
. 1 . 46 . 1 1 4 LEU H H 9.402 -1.168 1.306 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . rr_2mu7 1
. 1 . 47 . 1 1 4 LEU HA H 10.610 1.475 1.071 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . rr_2mu7 1
. 1 . 48 . 1 1 4 LEU HB2 H 12.742 0.219 1.382 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . rr_2mu7 1
. 1 . 49 . 1 1 4 LEU HB3 H 12.193 -0.994 0.432 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . rr_2mu7 1
. 1 . 50 . 1 1 4 LEU HD11 H 12.226 2.774 -0.466 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . rr_2mu7 1
. 1 . 51 . 1 1 4 LEU HD12 H 13.744 2.485 0.420 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . rr_2mu7 1
. 1 . 52 . 1 1 4 LEU HD13 H 13.762 2.698 -1.350 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . rr_2mu7 1
. 1 . 53 . 1 1 4 LEU HD21 H 14.989 0.111 0.060 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . rr_2mu7 1
. 1 . 54 . 1 1 4 LEU HD22 H 14.962 0.457 -1.688 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . rr_2mu7 1
. 1 . 55 . 1 1 4 LEU HD23 H 14.253 -1.048 -1.073 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . rr_2mu7 1
. 1 . 56 . 1 1 4 LEU HG H 12.473 0.577 -1.656 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . rr_2mu7 1
. 1 . 57 . 1 1 4 LEU N N 10.079 -0.463 1.586 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . rr_2mu7 1
. 1 . 58 . 1 1 4 LEU O O 8.991 1.489 -0.756 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . rr_2mu7 1
. 1 . 59 . 1 1 5 PHE C C 7.607 -0.864 -2.385 . . . 1.0 . . . . . . . . . . . . A . 5 PHE C . . . . . . . . . rr_2mu7 1
. 1 . 60 . 1 1 5 PHE CA C 9.080 -0.535 -2.769 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CA . . . . . . . . . rr_2mu7 1
. 1 . 61 . 1 1 5 PHE CB C 9.698 -1.576 -3.761 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CB . . . . . . . . . rr_2mu7 1
. 1 . 62 . 1 1 5 PHE CD1 C 11.245 -0.239 -5.294 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD1 . . . . . . . . . rr_2mu7 1
. 1 . 63 . 1 1 5 PHE CD2 C 12.236 -1.855 -3.797 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD2 . . . . . . . . . rr_2mu7 1
. 1 . 64 . 1 1 5 PHE CE1 C 12.513 0.111 -5.752 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE1 . . . . . . . . . rr_2mu7 1
. 1 . 65 . 1 1 5 PHE CE2 C 13.502 -1.502 -4.254 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE2 . . . . . . . . . rr_2mu7 1
. 1 . 66 . 1 1 5 PHE CG C 11.097 -1.222 -4.308 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CG . . . . . . . . . rr_2mu7 1
. 1 . 67 . 1 1 5 PHE CZ C 13.640 -0.519 -5.231 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CZ . . . . . . . . . rr_2mu7 1
. 1 . 68 . 1 1 5 PHE H H 10.658 -1.078 -1.420 . . . 1.0 . . . . . . . . . . . . A . 5 PHE H . . . . . . . . . rr_2mu7 1
. 1 . 69 . 1 1 5 PHE HA H 9.110 0.469 -3.229 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HA . . . . . . . . . rr_2mu7 1
. 1 . 70 . 1 1 5 PHE HB2 H 9.702 -2.595 -3.322 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB2 . . . . . . . . . rr_2mu7 1
. 1 . 71 . 1 1 5 PHE HB3 H 9.021 -1.717 -4.616 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB3 . . . . . . . . . rr_2mu7 1
. 1 . 72 . 1 1 5 PHE HD1 H 10.379 0.266 -5.699 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD1 . . . . . . . . . rr_2mu7 1
. 1 . 73 . 1 1 5 PHE HD2 H 12.146 -2.617 -3.036 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD2 . . . . . . . . . rr_2mu7 1
. 1 . 74 . 1 1 5 PHE HE1 H 12.622 0.875 -6.508 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE1 . . . . . . . . . rr_2mu7 1
. 1 . 75 . 1 1 5 PHE HE2 H 14.378 -1.988 -3.850 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE2 . . . . . . . . . rr_2mu7 1
. 1 . 76 . 1 1 5 PHE HZ H 14.623 -0.244 -5.584 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HZ . . . . . . . . . rr_2mu7 1
. 1 . 77 . 1 1 5 PHE N N 9.916 -0.411 -1.556 . . . 1.0 . . . . . . . . . . . . A . 5 PHE N . . . . . . . . . rr_2mu7 1
. 1 . 78 . 1 1 5 PHE O O 6.690 -0.191 -2.865 . . . 1.0 . . . . . . . . . . . . A . 5 PHE O . . . . . . . . . rr_2mu7 1
. 1 . 79 . 1 1 6 GLN C C 5.675 -1.229 0.265 . . . 1.0 . . . . . . . . . . . . A . 6 GLN C . . . . . . . . . rr_2mu7 1
. 1 . 80 . 1 1 6 GLN CA C 6.082 -2.172 -0.912 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CA . . . . . . . . . rr_2mu7 1
. 1 . 81 . 1 1 6 GLN CB C 6.175 -3.629 -0.393 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CB . . . . . . . . . rr_2mu7 1
. 1 . 82 . 1 1 6 GLN CD C 3.639 -4.222 -0.234 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CD . . . . . . . . . rr_2mu7 1
. 1 . 83 . 1 1 6 GLN CG C 5.025 -4.576 -0.809 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CG . . . . . . . . . rr_2mu7 1
. 1 . 84 . 1 1 6 GLN H H 8.208 -2.374 -1.105 . . . 1.0 . . . . . . . . . . . . A . 6 GLN H . . . . . . . . . rr_2mu7 1
. 1 . 85 . 1 1 6 GLN HA H 5.312 -2.102 -1.705 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HA . . . . . . . . . rr_2mu7 1
. 1 . 86 . 1 1 6 GLN HB2 H 7.147 -4.061 -0.670 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB2 . . . . . . . . . rr_2mu7 1
. 1 . 87 . 1 1 6 GLN HB3 H 6.290 -3.629 0.697 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB3 . . . . . . . . . rr_2mu7 1
. 1 . 88 . 1 1 6 GLN HE21 H 4.073 -5.159 1.486 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE21 . . . . . . . . . rr_2mu7 1
. 1 . 89 . 1 1 6 GLN HE22 H 2.417 -4.380 1.350 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE22 . . . . . . . . . rr_2mu7 1
. 1 . 90 . 1 1 6 GLN HG2 H 4.959 -4.604 -1.913 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG2 . . . . . . . . . rr_2mu7 1
. 1 . 91 . 1 1 6 GLN HG3 H 5.289 -5.611 -0.526 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG3 . . . . . . . . . rr_2mu7 1
. 1 . 92 . 1 1 6 GLN N N 7.399 -1.864 -1.500 . . . 1.0 . . . . . . . . . . . . A . 6 GLN N . . . . . . . . . rr_2mu7 1
. 1 . 93 . 1 1 6 GLN NE2 N 3.347 -4.627 0.993 . . . 1.0 . . . . . . . . . . . . A . 6 GLN NE2 . . . . . . . . . rr_2mu7 1
. 1 . 94 . 1 1 6 GLN O O 4.496 -1.255 0.625 . . . 1.0 . . . . . . . . . . . . A . 6 GLN O . . . . . . . . . rr_2mu7 1
. 1 . 95 . 1 1 6 GLN OE1 O 2.819 -3.580 -0.889 . . . 1.0 . . . . . . . . . . . . A . 6 GLN OE1 . . . . . . . . . rr_2mu7 1
. 1 . 96 . 1 1 7 LYS C C 5.105 1.512 1.536 . . . 1.0 . . . . . . . . . . . . A . 7 LYS C . . . . . . . . . rr_2mu7 1
. 1 . 97 . 1 1 7 LYS CA C 6.245 0.527 1.962 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CA . . . . . . . . . rr_2mu7 1
. 1 . 98 . 1 1 7 LYS CB C 7.461 1.255 2.556 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CB . . . . . . . . . rr_2mu7 1
. 1 . 99 . 1 1 7 LYS CD C 8.532 2.855 4.249 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CD . . . . . . . . . rr_2mu7 1
. 1 . 100 . 1 1 7 LYS CE C 8.294 3.891 5.362 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CE . . . . . . . . . rr_2mu7 1
. 1 . 101 . 1 1 7 LYS CG C 7.220 2.302 3.660 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CG . . . . . . . . . rr_2mu7 1
. 1 . 102 . 1 1 7 LYS H H 7.522 -0.415 0.441 . . . 1.0 . . . . . . . . . . . . A . 7 LYS H . . . . . . . . . rr_2mu7 1
. 1 . 103 . 1 1 7 LYS HA H 5.996 -0.124 2.789 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HA . . . . . . . . . rr_2mu7 1
. 1 . 104 . 1 1 7 LYS HB2 H 8.102 0.488 3.008 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB2 . . . . . . . . . rr_2mu7 1
. 1 . 105 . 1 1 7 LYS HB3 H 8.025 1.693 1.736 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB3 . . . . . . . . . rr_2mu7 1
. 1 . 106 . 1 1 7 LYS HD2 H 9.139 2.016 4.645 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD2 . . . . . . . . . rr_2mu7 1
. 1 . 107 . 1 1 7 LYS HD3 H 9.136 3.307 3.439 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD3 . . . . . . . . . rr_2mu7 1
. 1 . 108 . 1 1 7 LYS HE2 H 7.702 4.742 4.977 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE2 . . . . . . . . . rr_2mu7 1
. 1 . 109 . 1 1 7 LYS HE3 H 7.703 3.446 6.184 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE3 . . . . . . . . . rr_2mu7 1
. 1 . 110 . 1 1 7 LYS HG2 H 6.618 3.131 3.245 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG2 . . . . . . . . . rr_2mu7 1
. 1 . 111 . 1 1 7 LYS HG3 H 6.610 1.840 4.458 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG3 . . . . . . . . . rr_2mu7 1
. 1 . 112 . 1 1 7 LYS HZ2 H 10.098 4.877 5.171 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ2 . . . . . . . . . rr_2mu7 1
. 1 . 113 . 1 1 7 LYS HZ3 H 9.384 5.109 6.623 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ3 . . . . . . . . . rr_2mu7 1
. 1 . 114 . 1 1 7 LYS N N 6.595 -0.431 0.879 . . . 1.0 . . . . . . . . . . . . A . 7 LYS N . . . . . . . . . rr_2mu7 1
. 1 . 115 . 1 1 7 LYS NZ N 9.567 4.398 5.906 . . . 1.0 . . . . . . . . . . . . A . 7 LYS NZ . . . . . . . . . rr_2mu7 1
. 1 . 116 . 1 1 7 LYS O O 4.086 1.626 2.220 . . . 1.0 . . . . . . . . . . . . A . 7 LYS O . . . . . . . . . rr_2mu7 1
. 1 . 117 . 1 1 8 GLU C C 3.149 2.406 -0.980 . . . 1.0 . . . . . . . . . . . . A . 8 GLU C . . . . . . . . . rr_2mu7 1
. 1 . 118 . 1 1 8 GLU CA C 4.358 3.084 -0.266 . . . 1.0 . . . . . . . . . . . . A . 8 GLU CA . . . . . . . . . rr_2mu7 1
. 1 . 119 . 1 1 8 GLU CB C 5.308 3.832 -1.248 . . . 1.0 . . . . . . . . . . . . A . 8 GLU CB . . . . . . . . . rr_2mu7 1
. 1 . 120 . 1 1 8 GLU CD C 4.608 6.302 -1.293 . . . 1.0 . . . . . . . . . . . . A . 8 GLU CD . . . . . . . . . rr_2mu7 1
. 1 . 121 . 1 1 8 GLU CG C 5.643 5.271 -0.833 . . . 1.0 . . . . . . . . . . . . A . 8 GLU CG . . . . . . . . . rr_2mu7 1
. 1 . 122 . 1 1 8 GLU H H 6.173 2.042 -0.158 . . . 1.0 . . . . . . . . . . . . A . 8 GLU H . . . . . . . . . rr_2mu7 1
. 1 . 123 . 1 1 8 GLU HA H 3.934 3.768 0.495 . . . 1.0 . . . . . . . . . . . . A . 8 GLU HA . . . . . . . . . rr_2mu7 1
. 1 . 124 . 1 1 8 GLU HB2 H 6.289 3.334 -1.420 . . . 1.0 . . . . . . . . . . . . A . 8 GLU HB2 . . . . . . . . . rr_2mu7 1
. 1 . 125 . 1 1 8 GLU HB3 H 4.919 3.763 -2.262 . . . 1.0 . . . . . . . . . . . . A . 8 GLU HB3 . . . . . . . . . rr_2mu7 1
. 1 . 126 . 1 1 8 GLU HE2 H 2.926 7.078 -0.694 . . . 1.0 . . . . . . . . . . . . A . 8 GLU HE2 . . . . . . . . . rr_2mu7 1
. 1 . 127 . 1 1 8 GLU HG2 H 5.787 5.342 0.265 . . . 1.0 . . . . . . . . . . . . A . 8 GLU HG2 . . . . . . . . . rr_2mu7 1
. 1 . 128 . 1 1 8 GLU HG3 H 6.630 5.494 -1.272 . . . 1.0 . . . . . . . . . . . . A . 8 GLU HG3 . . . . . . . . . rr_2mu7 1
. 1 . 129 . 1 1 8 GLU N N 5.308 2.178 0.384 . . . 1.0 . . . . . . . . . . . . A . 8 GLU N . . . . . . . . . rr_2mu7 1
. 1 . 130 . 1 1 8 GLU O O 2.075 3.013 -1.012 . . . 1.0 . . . . . . . . . . . . A . 8 GLU O . . . . . . . . . rr_2mu7 1
. 1 . 131 . 1 1 8 GLU OE1 O 4.703 6.933 -2.345 . . . 1.0 . . . . . . . . . . . . A . 8 GLU OE1 . . . . . . . . . rr_2mu7 1
. 1 . 132 . 1 1 8 GLU OE2 O 3.574 6.434 -0.401 . . . 1.0 . . . . . . . . . . . . A . 8 GLU OE2 . . . . . . . . . rr_2mu7 1
. 1 . 133 . 1 1 9 LYS C C 1.097 -0.048 -1.185 . . . 1.0 . . . . . . . . . . . . A . 9 LYS C . . . . . . . . . rr_2mu7 1
. 1 . 134 . 1 1 9 LYS CA C 2.192 0.428 -2.179 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CA . . . . . . . . . rr_2mu7 1
. 1 . 135 . 1 1 9 LYS CB C 2.754 -0.686 -3.078 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CB . . . . . . . . . rr_2mu7 1
. 1 . 136 . 1 1 9 LYS CD C 1.105 -0.586 -5.090 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CD . . . . . . . . . rr_2mu7 1
. 1 . 137 . 1 1 9 LYS CE C 0.143 -1.391 -5.982 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CE . . . . . . . . . rr_2mu7 1
. 1 . 138 . 1 1 9 LYS CG C 1.759 -1.447 -3.988 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CG . . . . . . . . . rr_2mu7 1
. 1 . 139 . 1 1 9 LYS H H 4.219 0.760 -1.450 . . . 1.0 . . . . . . . . . . . . A . 9 LYS H . . . . . . . . . rr_2mu7 1
. 1 . 140 . 1 1 9 LYS HA H 1.723 1.139 -2.826 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HA . . . . . . . . . rr_2mu7 1
. 1 . 141 . 1 1 9 LYS HB2 H 3.581 -0.304 -3.708 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB2 . . . . . . . . . rr_2mu7 1
. 1 . 142 . 1 1 9 LYS HB3 H 3.205 -1.387 -2.378 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB3 . . . . . . . . . rr_2mu7 1
. 1 . 143 . 1 1 9 LYS HD2 H 0.556 0.255 -4.624 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD2 . . . . . . . . . rr_2mu7 1
. 1 . 144 . 1 1 9 LYS HD3 H 1.897 -0.124 -5.711 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD3 . . . . . . . . . rr_2mu7 1
. 1 . 145 . 1 1 9 LYS HE2 H 0.678 -2.224 -6.475 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE2 . . . . . . . . . rr_2mu7 1
. 1 . 146 . 1 1 9 LYS HE3 H -0.655 -1.852 -5.371 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE3 . . . . . . . . . rr_2mu7 1
. 1 . 147 . 1 1 9 LYS HG2 H 2.298 -2.290 -4.459 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG2 . . . . . . . . . rr_2mu7 1
. 1 . 148 . 1 1 9 LYS HG3 H 0.975 -1.919 -3.366 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG3 . . . . . . . . . rr_2mu7 1
. 1 . 149 . 1 1 9 LYS HZ2 H -1.088 -1.103 -7.614 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ2 . . . . . . . . . rr_2mu7 1
. 1 . 150 . 1 1 9 LYS HZ3 H 0.247 -0.159 -7.635 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ3 . . . . . . . . . rr_2mu7 1
. 1 . 151 . 1 1 9 LYS N N 3.305 1.192 -1.559 . . . 1.0 . . . . . . . . . . . . A . 9 LYS N . . . . . . . . . rr_2mu7 1
. 1 . 152 . 1 1 9 LYS NZ N -0.475 -0.539 -7.014 . . . 1.0 . . . . . . . . . . . . A . 9 LYS NZ . . . . . . . . . rr_2mu7 1
. 1 . 153 . 1 1 9 LYS O O -0.093 0.008 -1.506 . . . 1.0 . . . . . . . . . . . . A . 9 LYS O . . . . . . . . . rr_2mu7 1
. 1 . 154 . 1 1 10 MET C C -0.289 0.450 1.549 . . . 1.0 . . . . . . . . . . . . A . 10 MET C . . . . . . . . . rr_2mu7 1
. 1 . 155 . 1 1 10 MET CA C 0.642 -0.760 1.169 . . . 1.0 . . . . . . . . . . . . A . 10 MET CA . . . . . . . . . rr_2mu7 1
. 1 . 156 . 1 1 10 MET CB C 1.607 -1.157 2.321 . . . 1.0 . . . . . . . . . . . . A . 10 MET CB . . . . . . . . . rr_2mu7 1
. 1 . 157 . 1 1 10 MET CE C -0.692 -3.546 4.862 . . . 1.0 . . . . . . . . . . . . A . 10 MET CE . . . . . . . . . rr_2mu7 1
. 1 . 158 . 1 1 10 MET CG C 0.940 -1.689 3.600 . . . 1.0 . . . . . . . . . . . . A . 10 MET CG . . . . . . . . . rr_2mu7 1
. 1 . 159 . 1 1 10 MET H H 2.526 -0.518 0.139 . . . 1.0 . . . . . . . . . . . . A . 10 MET H . . . . . . . . . rr_2mu7 1
. 1 . 160 . 1 1 10 MET HA H 0.045 -1.640 0.898 . . . 1.0 . . . . . . . . . . . . A . 10 MET HA . . . . . . . . . rr_2mu7 1
. 1 . 161 . 1 1 10 MET HB2 H 2.316 -1.934 1.969 . . . 1.0 . . . . . . . . . . . . A . 10 MET HB2 . . . . . . . . . rr_2mu7 1
. 1 . 162 . 1 1 10 MET HB3 H 2.255 -0.294 2.581 . . . 1.0 . . . . . . . . . . . . A . 10 MET HB3 . . . . . . . . . rr_2mu7 1
. 1 . 163 . 1 1 10 MET HE1 H 0.118 -3.712 5.596 . . . 1.0 . . . . . . . . . . . . A . 10 MET HE1 . . . . . . . . . rr_2mu7 1
. 1 . 164 . 1 1 10 MET HE2 H -1.313 -4.459 4.826 . . . 1.0 . . . . . . . . . . . . A . 10 MET HE2 . . . . . . . . . rr_2mu7 1
. 1 . 165 . 1 1 10 MET HE3 H -1.325 -2.716 5.226 . . . 1.0 . . . . . . . . . . . . A . 10 MET HE3 . . . . . . . . . rr_2mu7 1
. 1 . 166 . 1 1 10 MET HG2 H 1.709 -1.930 4.357 . . . 1.0 . . . . . . . . . . . . A . 10 MET HG2 . . . . . . . . . rr_2mu7 1
. 1 . 167 . 1 1 10 MET HG3 H 0.284 -0.923 4.053 . . . 1.0 . . . . . . . . . . . . A . 10 MET HG3 . . . . . . . . . rr_2mu7 1
. 1 . 168 . 1 1 10 MET N N 1.519 -0.485 0.015 . . . 1.0 . . . . . . . . . . . . A . 10 MET N . . . . . . . . . rr_2mu7 1
. 1 . 169 . 1 1 10 MET O O -1.419 0.220 1.984 . . . 1.0 . . . . . . . . . . . . A . 10 MET O . . . . . . . . . rr_2mu7 1
. 1 . 170 . 1 1 10 MET SD S -0.018 -3.175 3.231 . . . 1.0 . . . . . . . . . . . . A . 10 MET SD . . . . . . . . . rr_2mu7 1
. 1 . 171 . 1 1 11 VAL C C -1.757 3.130 0.568 . . . 1.0 . . . . . . . . . . . . A . 11 VAL C . . . . . . . . . rr_2mu7 1
. 1 . 172 . 1 1 11 VAL CA C -0.591 2.951 1.597 . . . 1.0 . . . . . . . . . . . . A . 11 VAL CA . . . . . . . . . rr_2mu7 1
. 1 . 173 . 1 1 11 VAL CB C 0.325 4.225 1.722 . . . 1.0 . . . . . . . . . . . . A . 11 VAL CB . . . . . . . . . rr_2mu7 1
. 1 . 174 . 1 1 11 VAL CG1 C -0.461 5.492 2.141 . . . 1.0 . . . . . . . . . . . . A . 11 VAL CG1 . . . . . . . . . rr_2mu7 1
. 1 . 175 . 1 1 11 VAL CG2 C 1.510 4.076 2.708 . . . 1.0 . . . . . . . . . . . . A . 11 VAL CG2 . . . . . . . . . rr_2mu7 1
. 1 . 176 . 1 1 11 VAL H H 1.016 1.742 0.746 . . . 1.0 . . . . . . . . . . . . A . 11 VAL H . . . . . . . . . rr_2mu7 1
. 1 . 177 . 1 1 11 VAL HA H -1.030 2.786 2.578 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HA . . . . . . . . . rr_2mu7 1
. 1 . 178 . 1 1 11 VAL HB H 0.761 4.432 0.727 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HB . . . . . . . . . rr_2mu7 1
. 1 . 179 . 1 1 11 VAL HG11 H 0.190 6.384 2.201 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG11 . . . . . . . . . rr_2mu7 1
. 1 . 180 . 1 1 11 VAL HG12 H -1.258 5.741 1.416 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG12 . . . . . . . . . rr_2mu7 1
. 1 . 181 . 1 1 11 VAL HG13 H -0.947 5.369 3.128 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG13 . . . . . . . . . rr_2mu7 1
. 1 . 182 . 1 1 11 VAL HG21 H 2.146 4.980 2.729 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG21 . . . . . . . . . rr_2mu7 1
. 1 . 183 . 1 1 11 VAL HG22 H 1.171 3.881 3.743 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG22 . . . . . . . . . rr_2mu7 1
. 1 . 184 . 1 1 11 VAL HG23 H 2.175 3.243 2.422 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG23 . . . . . . . . . rr_2mu7 1
. 1 . 185 . 1 1 11 VAL N N 0.184 1.709 1.347 . . . 1.0 . . . . . . . . . . . . A . 11 VAL N . . . . . . . . . rr_2mu7 1
. 1 . 186 . 1 1 11 VAL O O -2.906 3.318 0.977 . . . 1.0 . . . . . . . . . . . . A . 11 VAL O . . . . . . . . . rr_2mu7 1
. 1 . 187 . 1 1 12 LEU C C -3.610 2.133 -1.794 . . . 1.0 . . . . . . . . . . . . A . 12 LEU C . . . . . . . . . rr_2mu7 1
. 1 . 188 . 1 1 12 LEU CA C -2.450 3.175 -1.843 . . . 1.0 . . . . . . . . . . . . A . 12 LEU CA . . . . . . . . . rr_2mu7 1
. 1 . 189 . 1 1 12 LEU CB C -1.726 3.149 -3.228 . . . 1.0 . . . . . . . . . . . . A . 12 LEU CB . . . . . . . . . rr_2mu7 1
. 1 . 190 . 1 1 12 LEU CD1 C -2.429 5.419 -4.246 . . . 1.0 . . . . . . . . . . . . A . 12 LEU CD1 . . . . . . . . . rr_2mu7 1
. 1 . 191 . 1 1 12 LEU CD2 C -1.873 3.473 -5.755 . . . 1.0 . . . . . . . . . . . . A . 12 LEU CD2 . . . . . . . . . rr_2mu7 1
. 1 . 192 . 1 1 12 LEU CG C -2.459 3.883 -4.388 . . . 1.0 . . . . . . . . . . . . A . 12 LEU CG . . . . . . . . . rr_2mu7 1
. 1 . 193 . 1 1 12 LEU H H -0.450 3.040 -0.933 . . . 1.0 . . . . . . . . . . . . A . 12 LEU H . . . . . . . . . rr_2mu7 1
. 1 . 194 . 1 1 12 LEU HA H -2.889 4.176 -1.704 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HA . . . . . . . . . rr_2mu7 1
. 1 . 195 . 1 1 12 LEU HB2 H -0.703 3.545 -3.122 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HB2 . . . . . . . . . rr_2mu7 1
. 1 . 196 . 1 1 12 LEU HB3 H -1.535 2.106 -3.542 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HB3 . . . . . . . . . rr_2mu7 1
. 1 . 197 . 1 1 12 LEU HD11 H -1.397 5.815 -4.235 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD11 . . . . . . . . . rr_2mu7 1
. 1 . 198 . 1 1 12 LEU HD12 H -2.919 5.759 -3.316 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD12 . . . . . . . . . rr_2mu7 1
. 1 . 199 . 1 1 12 LEU HD13 H -2.962 5.916 -5.078 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD13 . . . . . . . . . rr_2mu7 1
. 1 . 200 . 1 1 12 LEU HD21 H -1.940 2.381 -5.914 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD21 . . . . . . . . . rr_2mu7 1
. 1 . 201 . 1 1 12 LEU HD22 H -2.418 3.948 -6.592 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD22 . . . . . . . . . rr_2mu7 1
. 1 . 202 . 1 1 12 LEU HD23 H -0.808 3.754 -5.854 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD23 . . . . . . . . . rr_2mu7 1
. 1 . 203 . 1 1 12 LEU HG H -3.519 3.564 -4.387 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HG . . . . . . . . . rr_2mu7 1
. 1 . 204 . 1 1 12 LEU N N -1.452 3.069 -0.746 . . . 1.0 . . . . . . . . . . . . A . 12 LEU N . . . . . . . . . rr_2mu7 1
. 1 . 205 . 1 1 12 LEU O O -4.774 2.523 -1.900 . . . 1.0 . . . . . . . . . . . . A . 12 LEU O . . . . . . . . . rr_2mu7 1
. 1 . 206 . 1 1 13 ASN C C -5.224 -0.211 -0.311 . . . 1.0 . . . . . . . . . . . . A . 13 ASN C . . . . . . . . . rr_2mu7 1
. 1 . 207 . 1 1 13 ASN CA C -4.268 -0.267 -1.545 . . . 1.0 . . . . . . . . . . . . A . 13 ASN CA . . . . . . . . . rr_2mu7 1
. 1 . 208 . 1 1 13 ASN CB C -3.575 -1.650 -1.720 . . . 1.0 . . . . . . . . . . . . A . 13 ASN CB . . . . . . . . . rr_2mu7 1
. 1 . 209 . 1 1 13 ASN CG C -4.531 -2.830 -1.994 . . . 1.0 . . . . . . . . . . . . A . 13 ASN CG . . . . . . . . . rr_2mu7 1
. 1 . 210 . 1 1 13 ASN H H -2.278 0.686 -1.499 . . . 1.0 . . . . . . . . . . . . A . 13 ASN H . . . . . . . . . rr_2mu7 1
. 1 . 211 . 1 1 13 ASN HA H -4.874 -0.124 -2.439 . . . 1.0 . . . . . . . . . . . . A . 13 ASN HA . . . . . . . . . rr_2mu7 1
. 1 . 212 . 1 1 13 ASN HB2 H -2.880 -1.631 -2.583 . . . 1.0 . . . . . . . . . . . . A . 13 ASN HB2 . . . . . . . . . rr_2mu7 1
. 1 . 213 . 1 1 13 ASN HB3 H -2.933 -1.860 -0.845 . . . 1.0 . . . . . . . . . . . . A . 13 ASN HB3 . . . . . . . . . rr_2mu7 1
. 1 . 214 . 1 1 13 ASN HD21 H -4.340 -3.471 -0.103 . . . 1.0 . . . . . . . . . . . . A . 13 ASN HD21 . . . . . . . . . rr_2mu7 1
. 1 . 215 . 1 1 13 ASN HD22 H -5.426 -4.447 -1.214 . . . 1.0 . . . . . . . . . . . . A . 13 ASN HD22 . . . . . . . . . rr_2mu7 1
. 1 . 216 . 1 1 13 ASN N N -3.279 0.837 -1.614 . . . 1.0 . . . . . . . . . . . . A . 13 ASN N . . . . . . . . . rr_2mu7 1
. 1 . 217 . 1 1 13 ASN ND2 N -4.793 -3.668 -1.002 . . . 1.0 . . . . . . . . . . . . A . 13 ASN ND2 . . . . . . . . . rr_2mu7 1
. 1 . 218 . 1 1 13 ASN O O -6.433 -0.380 -0.486 . . . 1.0 . . . . . . . . . . . . A . 13 ASN O . . . . . . . . . rr_2mu7 1
. 1 . 219 . 1 1 13 ASN OD1 O -5.036 -2.998 -3.104 . . . 1.0 . . . . . . . . . . . . A . 13 ASN OD1 . . . . . . . . . rr_2mu7 1
. 1 . 220 . 1 1 14 GLU C C -6.536 1.338 2.174 . . . 1.0 . . . . . . . . . . . . A . 14 GLU C . . . . . . . . . rr_2mu7 1
. 1 . 221 . 1 1 14 GLU CA C -5.523 0.143 2.145 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CA . . . . . . . . . rr_2mu7 1
. 1 . 222 . 1 1 14 GLU CB C -4.598 0.106 3.430 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CB . . . . . . . . . rr_2mu7 1
. 1 . 223 . 1 1 14 GLU CD C -2.981 1.258 5.071 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CD . . . . . . . . . rr_2mu7 1
. 1 . 224 . 1 1 14 GLU CG C -3.857 1.411 3.824 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CG . . . . . . . . . rr_2mu7 1
. 1 . 225 . 1 1 14 GLU H H -3.699 0.169 0.920 . . . 1.0 . . . . . . . . . . . . A . 14 GLU H . . . . . . . . . rr_2mu7 1
. 1 . 226 . 1 1 14 GLU HA H -6.152 -0.769 2.091 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HA . . . . . . . . . rr_2mu7 1
. 1 . 227 . 1 1 14 GLU HB2 H -5.184 -0.192 4.323 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB2 . . . . . . . . . rr_2mu7 1
. 1 . 228 . 1 1 14 GLU HB3 H -3.829 -0.694 3.360 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB3 . . . . . . . . . rr_2mu7 1
. 1 . 229 . 1 1 14 GLU HE2 H -1.554 0.828 3.819 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HE2 . . . . . . . . . rr_2mu7 1
. 1 . 230 . 1 1 14 GLU HG2 H -3.242 1.784 2.990 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG2 . . . . . . . . . rr_2mu7 1
. 1 . 231 . 1 1 14 GLU HG3 H -4.590 2.215 4.020 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG3 . . . . . . . . . rr_2mu7 1
. 1 . 232 . 1 1 14 GLU N N -4.702 0.021 0.912 . . . 1.0 . . . . . . . . . . . . A . 14 GLU N . . . . . . . . . rr_2mu7 1
. 1 . 233 . 1 1 14 GLU O O -7.624 1.187 2.739 . . . 1.0 . . . . . . . . . . . . A . 14 GLU O . . . . . . . . . rr_2mu7 1
. 1 . 234 . 1 1 14 GLU OE1 O -3.401 1.427 6.216 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE1 . . . . . . . . . rr_2mu7 1
. 1 . 235 . 1 1 14 GLU OE2 O -1.689 0.916 4.766 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE2 . . . . . . . . . rr_2mu7 1
. 1 . 236 . 1 1 15 GLY C C -7.949 3.776 0.299 . . . 1.0 . . . . . . . . . . . . A . 15 GLY C . . . . . . . . . rr_2mu7 1
. 1 . 237 . 1 1 15 GLY CA C -7.046 3.690 1.545 . . . 1.0 . . . . . . . . . . . . A . 15 GLY CA . . . . . . . . . rr_2mu7 1
. 1 . 238 . 1 1 15 GLY H H -5.253 2.456 1.130 . . . 1.0 . . . . . . . . . . . . A . 15 GLY H . . . . . . . . . rr_2mu7 1
. 1 . 239 . 1 1 15 GLY HA2 H -7.677 3.744 2.453 . . . 1.0 . . . . . . . . . . . . A . 15 GLY HA2 . . . . . . . . . rr_2mu7 1
. 1 . 240 . 1 1 15 GLY HA3 H -6.398 4.585 1.619 . . . 1.0 . . . . . . . . . . . . A . 15 GLY HA3 . . . . . . . . . rr_2mu7 1
. 1 . 241 . 1 1 15 GLY N N -6.180 2.493 1.575 . . . 1.0 . . . . . . . . . . . . A . 15 GLY N . . . . . . . . . rr_2mu7 1
. 1 . 242 . 1 1 15 GLY O O -9.054 3.227 0.299 . . . 1.0 . . . . . . . . . . . . A . 15 GLY O . . . . . . . . . rr_2mu7 1
. 1 . 243 . 1 1 16 THR C C -8.512 3.474 -2.923 . . . 1.0 . . . . . . . . . . . . A . 16 THR C . . . . . . . . . rr_2mu7 1
. 1 . 244 . 1 1 16 THR CA C -8.231 4.709 -2.006 . . . 1.0 . . . . . . . . . . . . A . 16 THR CA . . . . . . . . . rr_2mu7 1
. 1 . 245 . 1 1 16 THR CB C -7.606 5.924 -2.766 . . . 1.0 . . . . . . . . . . . . A . 16 THR CB . . . . . . . . . rr_2mu7 1
. 1 . 246 . 1 1 16 THR CG2 C -6.195 5.730 -3.361 . . . 1.0 . . . . . . . . . . . . A . 16 THR CG2 . . . . . . . . . rr_2mu7 1
. 1 . 247 . 1 1 16 THR H H -6.530 4.868 -0.600 . . . 1.0 . . . . . . . . . . . . A . 16 THR H . . . . . . . . . rr_2mu7 1
. 1 . 248 . 1 1 16 THR HA H -9.230 5.054 -1.684 . . . 1.0 . . . . . . . . . . . . A . 16 THR HA . . . . . . . . . rr_2mu7 1
. 1 . 249 . 1 1 16 THR HB H -7.548 6.777 -2.063 . . . 1.0 . . . . . . . . . . . . A . 16 THR HB . . . . . . . . . rr_2mu7 1
. 1 . 250 . 1 1 16 THR HG1 H -8.515 5.582 -4.428 . . . 1.0 . . . . . . . . . . . . A . 16 THR HG1 . . . . . . . . . rr_2mu7 1
. 1 . 251 . 1 1 16 THR HG21 H -6.180 4.961 -4.154 . . . 1.0 . . . . . . . . . . . . A . 16 THR HG21 . . . . . . . . . rr_2mu7 1
. 1 . 252 . 1 1 16 THR HG22 H -5.820 6.667 -3.813 . . . 1.0 . . . . . . . . . . . . A . 16 THR HG22 . . . . . . . . . rr_2mu7 1
. 1 . 253 . 1 1 16 THR HG23 H -5.462 5.427 -2.592 . . . 1.0 . . . . . . . . . . . . A . 16 THR HG23 . . . . . . . . . rr_2mu7 1
. 1 . 254 . 1 1 16 THR N N -7.464 4.469 -0.747 . . . 1.0 . . . . . . . . . . . . A . 16 THR N . . . . . . . . . rr_2mu7 1
. 1 . 255 . 1 1 16 THR O O -9.646 3.325 -3.389 . . . 1.0 . . . . . . . . . . . . A . 16 THR O . . . . . . . . . rr_2mu7 1
. 1 . 256 . 1 1 16 THR OG1 O -8.476 6.324 -3.821 . . . 1.0 . . . . . . . . . . . . A . 16 THR OG1 . . . . . . . . . rr_2mu7 1
. 1 . 257 . 1 1 17 SER C C -7.965 0.124 -3.286 . . . 1.0 . . . . . . . . . . . . A . 17 SER C . . . . . . . . . rr_2mu7 1
. 1 . 258 . 1 1 17 SER CA C -7.642 1.433 -4.074 . . . 1.0 . . . . . . . . . . . . A . 17 SER CA . . . . . . . . . rr_2mu7 1
. 1 . 259 . 1 1 17 SER CB C -6.358 1.320 -4.936 . . . 1.0 . . . . . . . . . . . . A . 17 SER CB . . . . . . . . . rr_2mu7 1
. 1 . 260 . 1 1 17 SER H H -6.635 2.864 -2.702 . . . 1.0 . . . . . . . . . . . . A . 17 SER H . . . . . . . . . rr_2mu7 1
. 1 . 261 . 1 1 17 SER HA H -8.470 1.594 -4.793 . . . 1.0 . . . . . . . . . . . . A . 17 SER HA . . . . . . . . . rr_2mu7 1
. 1 . 262 . 1 1 17 SER HB2 H -5.463 1.157 -4.305 . . . 1.0 . . . . . . . . . . . . A . 17 SER HB2 . . . . . . . . . rr_2mu7 1
. 1 . 263 . 1 1 17 SER HB3 H -6.421 0.440 -5.602 . . . 1.0 . . . . . . . . . . . . A . 17 SER HB3 . . . . . . . . . rr_2mu7 1
. 1 . 264 . 1 1 17 SER HG H -6.060 3.211 -5.130 . . . 1.0 . . . . . . . . . . . . A . 17 SER HG . . . . . . . . . rr_2mu7 1
. 1 . 265 . 1 1 17 SER N N -7.505 2.621 -3.183 . . . 1.0 . . . . . . . . . . . . A . 17 SER N . . . . . . . . . rr_2mu7 1
. 1 . 266 . 1 1 17 SER O O -7.199 -0.846 -3.297 . . . 1.0 . . . . . . . . . . . . A . 17 SER O . . . . . . . . . rr_2mu7 1
. 1 . 267 . 1 1 17 SER OG O -6.156 2.477 -5.742 . . . 1.0 . . . . . . . . . . . . A . 17 SER OG . . . . . . . . . rr_2mu7 1
. 1 . 268 . 1 1 18 GLY C C -10.939 -0.758 -1.161 . . . 1.0 . . . . . . . . . . . . A . 18 GLY C . . . . . . . . . rr_2mu7 1
. 1 . 269 . 1 1 18 GLY CA C -9.593 -1.060 -1.838 . . . 1.0 . . . . . . . . . . . . A . 18 GLY CA . . . . . . . . . rr_2mu7 1
. 1 . 270 . 1 1 18 GLY H H -9.623 1.003 -2.585 . . . 1.0 . . . . . . . . . . . . A . 18 GLY H . . . . . . . . . rr_2mu7 1
. 1 . 271 . 1 1 18 GLY HA2 H -9.696 -1.946 -2.493 . . . 1.0 . . . . . . . . . . . . A . 18 GLY HA2 . . . . . . . . . rr_2mu7 1
. 1 . 272 . 1 1 18 GLY HA3 H -8.833 -1.334 -1.080 . . . 1.0 . . . . . . . . . . . . A . 18 GLY HA3 . . . . . . . . . rr_2mu7 1
. 1 . 273 . 1 1 18 GLY N N -9.141 0.099 -2.635 . . . 1.0 . . . . . . . . . . . . A . 18 GLY N . . . . . . . . . rr_2mu7 1
. 1 . 274 . 1 1 18 GLY O O -11.971 -1.271 -1.600 . . . 1.0 . . . . . . . . . . . . A . 18 GLY O . . . . . . . . . rr_2mu7 1
. 1 . 275 . 1 1 19 THR C C -12.918 -0.629 1.321 . . . 1.0 . . . . . . . . . . . . A . 19 THR C . . . . . . . . . rr_2mu7 1
. 1 . 276 . 1 1 19 THR CA C -12.091 0.535 0.683 . . . 1.0 . . . . . . . . . . . . A . 19 THR CA . . . . . . . . . rr_2mu7 1
. 1 . 277 . 1 1 19 THR CB C -12.989 1.575 -0.068 . . . 1.0 . . . . . . . . . . . . A . 19 THR CB . . . . . . . . . rr_2mu7 1
. 1 . 278 . 1 1 19 THR CG2 C -12.264 2.868 -0.486 . . . 1.0 . . . . . . . . . . . . A . 19 THR CG2 . . . . . . . . . rr_2mu7 1
. 1 . 279 . 1 1 19 THR H H -9.968 0.463 0.075 . . . 1.0 . . . . . . . . . . . . A . 19 THR H . . . . . . . . . rr_2mu7 1
. 1 . 280 . 1 1 19 THR HA H -11.657 1.111 1.525 . . . 1.0 . . . . . . . . . . . . A . 19 THR HA . . . . . . . . . rr_2mu7 1
. 1 . 281 . 1 1 19 THR HB H -13.802 1.878 0.619 . . . 1.0 . . . . . . . . . . . . A . 19 THR HB . . . . . . . . . rr_2mu7 1
. 1 . 282 . 1 1 19 THR HG1 H -14.103 0.255 -0.916 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG1 . . . . . . . . . rr_2mu7 1
. 1 . 283 . 1 1 19 THR HG21 H -11.447 2.670 -1.205 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG21 . . . . . . . . . rr_2mu7 1
. 1 . 284 . 1 1 19 THR HG22 H -12.959 3.578 -0.970 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG22 . . . . . . . . . rr_2mu7 1
. 1 . 285 . 1 1 19 THR HG23 H -11.824 3.386 0.385 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG23 . . . . . . . . . rr_2mu7 1
. 1 . 286 . 1 1 19 THR N N -10.898 0.064 -0.090 . . . 1.0 . . . . . . . . . . . . A . 19 THR N . . . . . . . . . rr_2mu7 1
. 1 . 287 . 1 1 19 THR O O -13.811 -1.192 0.677 . . . 1.0 . . . . . . . . . . . . A . 19 THR O . . . . . . . . . rr_2mu7 1
. 1 . 288 . 1 1 19 THR OG1 O -13.600 1.012 -1.225 . . . 1.0 . . . . . . . . . . . . A . 19 THR OG1 . . . . . . . . . rr_2mu7 1
. 1 . 289 . 1 1 20 ALA C C -14.436 -1.479 4.208 . . . 1.0 . . . . . . . . . . . . A . 20 ALA C . . . . . . . . . rr_2mu7 1
. 1 . 290 . 1 1 20 ALA CA C -13.303 -2.061 3.325 . . . 1.0 . . . . . . . . . . . . A . 20 ALA CA . . . . . . . . . rr_2mu7 1
. 1 . 291 . 1 1 20 ALA CB C -12.270 -2.832 4.170 . . . 1.0 . . . . . . . . . . . . A . 20 ALA CB . . . . . . . . . rr_2mu7 1
. 1 . 292 . 1 1 20 ALA H H -11.851 -0.428 3.011 . . . 1.0 . . . . . . . . . . . . A . 20 ALA H . . . . . . . . . rr_2mu7 1
. 1 . 293 . 1 1 20 ALA HA H -13.719 -2.800 2.609 . . . 1.0 . . . . . . . . . . . . A . 20 ALA HA . . . . . . . . . rr_2mu7 1
. 1 . 294 . 1 1 20 ALA HB1 H -11.479 -3.280 3.541 . . . 1.0 . . . . . . . . . . . . A . 20 ALA HB1 . . . . . . . . . rr_2mu7 1
. 1 . 295 . 1 1 20 ALA HB2 H -12.743 -3.665 4.723 . . . 1.0 . . . . . . . . . . . . A . 20 ALA HB2 . . . . . . . . . rr_2mu7 1
. 1 . 296 . 1 1 20 ALA HB3 H -11.769 -2.188 4.918 . . . 1.0 . . . . . . . . . . . . A . 20 ALA HB3 . . . . . . . . . rr_2mu7 1
. 1 . 297 . 1 1 20 ALA N N -12.608 -0.975 2.586 . . . 1.0 . . . . . . . . . . . . A . 20 ALA N . . . . . . . . . rr_2mu7 1
. 1 . 298 . 1 1 20 ALA O O -14.205 -0.741 5.169 . . . 1.0 . . . . . . . . . . . . A . 20 ALA O . . . . . . . . . rr_2mu7 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_2mu7
_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 2mu7.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_2mu7 1
1 2mu7.mr . . DISCOVER 2 stereochemistry prochirality "Not applicable" 0 rr_2mu7 1
1 2mu7.mr . . DISCOVER 3 distance "hydrogen bond" simple 5 rr_2mu7 1
1 2mu7.mr . . DISCOVER 4 distance NOE simple 130 rr_2mu7 1
1 2mu7.mr . . "MR format" 5 comment "Not applicable" "Not applicable" 0 rr_2mu7 1
1 2mu7.mr . . DISCOVER 6 "dihedral angle" "Not applicable" "Not applicable" 19 rr_2mu7 1
1 2mu7.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_2mu7 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_2mu7
_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: '2mu7'" . . . . distance "general distance" . 128 rr_2mu7 1
2 "From CCPN project: '2mu7'" . . . . distance "hydrogen bond" . 5 rr_2mu7 1
3 "From CCPN project: '2mu7'" . . . . "dihedral angle" "Not applicable" . 19 rr_2mu7 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 2mu7.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_2mu7 1
1 2mu7.mr . . DISCOVER 2 stereochemistry prochirality "Not applicable" 0 rr_2mu7 1
1 2mu7.mr . . DISCOVER 3 distance "hydrogen bond" simple 5 rr_2mu7 1
1 2mu7.mr . . DISCOVER 4 distance NOE simple 130 rr_2mu7 1
1 2mu7.mr . . "MR format" 5 comment "Not applicable" "Not applicable" 0 rr_2mu7 1
1 2mu7.mr . . DISCOVER 6 "dihedral angle" "Not applicable" "Not applicable" 19 rr_2mu7 1
1 2mu7.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_2mu7 1
stop_
save_
save_Discover_distance_constraints_4
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode Discover_distance_constraints_4
_Gen_dist_constraint_list.Entry_ID rr_2mu7
_Gen_dist_constraint_list.ID 2
_Gen_dist_constraint_list.Constraint_type NOE
_Gen_dist_constraint_list.Details "Generated by Wattos"
_Gen_dist_constraint_list.Constraint_file_ID 1
_Gen_dist_constraint_list.Block_ID 4
loop_
_Gen_dist_constraint_software.Software_ID
_Gen_dist_constraint_software.Software_label
_Gen_dist_constraint_software.Method_ID
_Gen_dist_constraint_software.Method_label
_Gen_dist_constraint_software.Entry_ID
_Gen_dist_constraint_software.Gen_dist_constraint_list_ID
. . . . rr_2mu7 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 5 5 PHE H H . . . 1 1 5 5 PHE HA H . . . . . 2.7 1.8 2.7 . . . . . A . 5 PHE H . . A . 5 PHE HA . 1 . 5 PHE HN . . . 1 . 5 PHE HA . . rr_2mu7 1
2 1 . . 1 1 1 1 GLY HA3 H . . . 1 1 2 2 TYR H H . . . . . 3.5 2.7 3.5 . . . . . A . 1 GLY HA3 . . A . 2 TYR H . 1 . 1 GLY HAS . . . 1 . 2 TYR HN . . rr_2mu7 1
3 1 . . 1 1 11 11 VAL H H . . . 1 1 11 11 VAL HA H . . . . . 2.7 1.8 2.7 . . . . . A . 11 VAL H . . A . 11 VAL HA . 1 . 11 VAL HN . . . 1 . 11 VAL HA . . rr_2mu7 1
4 1 . . 1 1 4 4 LEU H H . . . 1 1 3 3 SER HA H . . . . . 2.7 1.8 2.7 . . . . . A . 4 LEU H . . A . 3 SER HA . 1 . 4 LEU HN . . . 1 . 3 SER HA . . rr_2mu7 1
5 1 . . 1 1 19 19 THR H H . . . 1 1 19 19 THR HA H . . . . . 2.7 1.8 2.7 . . . . . A . 19 THR H . . A . 19 THR HA . 1 . 19 THR HN . . . 1 . 19 THR HA . . rr_2mu7 1
6 1 . . 1 1 3 3 SER HA H . . . 1 1 3 3 SER H H . . . . . 2.7 1.8 2.7 . . . . . A . 3 SER HA . . A . 3 SER H . 1 . 3 SER HA . . . 1 . 3 SER HN . . rr_2mu7 1
7 1 OR . 1 1 18 18 GLY H H . . . 1 1 18 18 GLY HA2 H . . . . . 2.7 1.8 3.7 . . . . . A . 18 GLY H . . A . 18 GLY HA2 . 1 . 18 GLY HN . . . 1 . 18 GLY HA* . . rr_2mu7 1
7 2 OR . 1 1 18 18 GLY H H . . . 1 1 18 18 GLY HA3 H . . . . . 2.7 1.8 3.7 . . . . . A . 18 GLY H . . A . 18 GLY HA3 . 1 . 18 GLY HN . . . 1 . 18 GLY HA* . . rr_2mu7 1
8 1 OR . 1 1 3 3 SER H H . . . 1 1 3 3 SER HB2 H . . . . . 3.5 2.7 4.5 . . . . . A . 3 SER H . . A . 3 SER HB2 . 1 . 3 SER HN . . . 1 . 3 SER HB* . . rr_2mu7 1
8 2 OR . 1 1 3 3 SER H H . . . 1 1 3 3 SER HB3 H . . . . . 3.5 2.7 4.5 . . . . . A . 3 SER H . . A . 3 SER HB3 . 1 . 3 SER HN . . . 1 . 3 SER HB* . . rr_2mu7 1
9 1 . . 1 1 8 8 GLU H H . . . 1 1 8 8 GLU HA H . . . . . 3.5 2.7 3.5 . . . . . A . 8 GLU H . . A . 8 GLU HA . 1 . 8 GLU- HN . . . 1 . 8 GLU- HA . . rr_2mu7 1
10 1 . . 1 1 8 8 GLU H H . . . 1 1 8 8 GLU HB2 H . . . . . 2.7 1.8 2.7 . . . . . A . 8 GLU H . . A . 8 GLU HB2 . 1 . 8 GLU- HN . . . 1 . 8 GLU- HBR . . rr_2mu7 1
11 1 . . 1 1 15 15 GLY H H . . . 1 1 14 14 GLU HA H . . . . . 3.5 2.7 3.5 . . . . . A . 15 GLY H . . A . 14 GLU HA . 1 . 15 GLY HN . . . 1 . 14 GLU- HA . . rr_2mu7 1
12 1 . . 1 1 17 17 SER H H . . . 1 1 13 13 ASN HA H . . . . . 5.0 3.5 5.0 . . . . . A . 17 SER H . . A . 13 ASN HA . 1 . 17 SER HN . . . 1 . 13 ASN HA . . rr_2mu7 1
13 1 . . 1 1 17 17 SER H H . . . 1 1 17 17 SER HA H . . . . . 3.5 2.7 3.5 . . . . . A . 17 SER H . . A . 17 SER HA . 1 . 17 SER HN . . . 1 . 17 SER HA . . rr_2mu7 1
14 1 . . 1 1 17 17 SER H H . . . 1 1 16 16 THR HA H . . . . . 3.5 2.7 3.5 . . . . . A . 17 SER H . . A . 16 THR HA . 1 . 17 SER HN . . . 1 . 16 THR HA . . rr_2mu7 1
15 1 . . 1 1 13 13 ASN HA H . . . 1 1 14 14 GLU H H . . . . . 3.5 2.7 3.5 . . . . . A . 13 ASN HA . . A . 14 GLU H . 1 . 13 ASN HA . . . 1 . 14 GLU- HN . . rr_2mu7 1
16 1 . . 1 1 13 13 ASN HA H . . . 1 1 13 13 ASN H H . . . . . 2.7 1.8 2.7 . . . . . A . 13 ASN HA . . A . 13 ASN H . 1 . 13 ASN HA . . . 1 . 13 ASN HN . . rr_2mu7 1
17 1 . . 1 1 14 14 GLU HA H . . . 1 1 14 14 GLU H H . . . . . 2.7 1.8 2.7 . . . . . A . 14 GLU HA . . A . 14 GLU H . 1 . 14 GLU- HA . . . 1 . 14 GLU- HN . . rr_2mu7 1
18 1 . . 1 1 16 16 THR HA H . . . 1 1 16 16 THR H H . . . . . 3.5 2.7 3.5 . . . . . A . 16 THR HA . . A . 16 THR H . 1 . 16 THR HA . . . 1 . 16 THR HN . . rr_2mu7 1
19 1 . . 1 1 10 10 MET H H . . . 1 1 10 10 MET HA H . . . . . 2.7 1.8 2.7 . . . . . A . 10 MET H . . A . 10 MET HA . 1 . 10 MET HN . . . 1 . 10 MET HA . . rr_2mu7 1
20 1 . . 1 1 4 4 LEU H H . . . 1 1 4 4 LEU HA H . . . . . 3.5 2.7 3.5 . . . . . A . 4 LEU H . . A . 4 LEU HA . 1 . 4 LEU HN . . . 1 . 4 LEU HA . . rr_2mu7 1
21 1 . . 1 1 4 4 LEU H H . . . 1 1 7 7 LYS HA H . . . . . 3.5 2.7 3.5 . . . . . A . 4 LEU H . . A . 7 LYS HA . 1 . 4 LEU HN . . . 1 . 7 LYS+ HA . . rr_2mu7 1
22 1 . . 1 1 10 10 MET H H . . . 1 1 9 9 LYS HA H . . . . . 3.5 2.7 3.5 . . . . . A . 10 MET H . . A . 9 LYS HA . 1 . 10 MET HN . . . 1 . 9 LYS+ HA . . rr_2mu7 1
23 1 . . 1 1 5 5 PHE H H . . . 1 1 4 4 LEU HA H . . . . . 3.5 2.7 3.5 . . . . . A . 5 PHE H . . A . 4 LEU HA . 1 . 5 PHE HN . . . 1 . 4 LEU HA . . rr_2mu7 1
24 1 . . 1 1 7 7 LYS HA H . . . 1 1 7 7 LYS H H . . . . . 3.5 2.7 3.5 . . . . . A . 7 LYS HA . . A . 7 LYS H . 1 . 7 LYS+ HA . . . 1 . 7 LYS+ HN . . rr_2mu7 1
25 1 . . 1 1 11 11 VAL H H . . . 1 1 9 9 LYS HA H . . . . . 3.5 2.7 3.5 . . . . . A . 11 VAL H . . A . 9 LYS HA . 1 . 11 VAL HN . . . 1 . 9 LYS+ HA . . rr_2mu7 1
26 1 . . 1 1 11 11 VAL H H . . . 1 1 8 8 GLU HA H . . . . . 3.5 2.7 3.5 . . . . . A . 11 VAL H . . A . 8 GLU HA . 1 . 11 VAL HN . . . 1 . 8 GLU- HA . . rr_2mu7 1
27 1 . . 1 1 2 2 TYR H H . . . 1 1 1 1 GLY HA2 H . . . . . 2.7 1.8 2.7 . . . . . A . 2 TYR H . . A . 1 GLY HA2 . 1 . 2 TYR HN . . . 1 . 1 GLY HAR . . rr_2mu7 1
28 1 . . 1 1 6 6 GLN H H . . . 1 1 6 6 GLN HA H . . . . . 3.5 2.7 3.5 . . . . . A . 6 GLN H . . A . 6 GLN HA . 1 . 6 GLN HN . . . 1 . 6 GLN HA . . rr_2mu7 1
29 1 . . 1 1 9 9 LYS HA H . . . 1 1 9 9 LYS H H . . . . . 2.7 1.8 2.7 . . . . . A . 9 LYS HA . . A . 9 LYS H . 1 . 9 LYS+ HA . . . 1 . 9 LYS+ HN . . rr_2mu7 1
30 1 . . 1 1 12 12 LEU H H . . . 1 1 12 12 LEU HA H . . . . . 2.7 1.8 2.7 . . . . . A . 12 LEU H . . A . 12 LEU HA . 1 . 12 LEU HN . . . 1 . 12 LEU HA . . rr_2mu7 1
31 1 . . 1 1 20 20 ALA H H . . . 1 1 20 20 ALA HA H . . . . . 3.5 2.7 3.5 . . . . . A . 20 ALA H . . A . 20 ALA HA . 1 . 20 ALA HN . . . 1 . 20 ALA HA . . rr_2mu7 1
32 1 . . 1 1 8 8 GLU HA H . . . 1 1 9 9 LYS H H . . . . . 5.0 3.5 5.0 . . . . . A . 8 GLU HA . . A . 9 LYS H . 1 . 8 GLU- HA . . . 1 . 9 LYS+ HN . . rr_2mu7 1
33 1 OR . 1 1 16 16 THR H H . . . 1 1 15 15 GLY HA2 H . . . . . 3.5 2.7 4.5 . . . . . A . 16 THR H . . A . 15 GLY HA2 . 1 . 16 THR HN . . . 1 . 15 GLY HA* . . rr_2mu7 1
33 2 OR . 1 1 16 16 THR H H . . . 1 1 15 15 GLY HA3 H . . . . . 3.5 2.7 4.5 . . . . . A . 16 THR H . . A . 15 GLY HA3 . 1 . 16 THR HN . . . 1 . 15 GLY HA* . . rr_2mu7 1
34 1 OR . 1 1 19 19 THR H H . . . 1 1 18 18 GLY HA2 H . . . . . 3.5 2.7 4.5 . . . . . A . 19 THR H . . A . 18 GLY HA2 . 1 . 19 THR HN . . . 1 . 18 GLY HA* . . rr_2mu7 1
34 2 OR . 1 1 19 19 THR H H . . . 1 1 18 18 GLY HA3 H . . . . . 3.5 2.7 4.5 . . . . . A . 19 THR H . . A . 18 GLY HA3 . 1 . 19 THR HN . . . 1 . 18 GLY HA* . . rr_2mu7 1
35 1 OR . 1 1 17 17 SER H H . . . 1 1 17 17 SER HB2 H . . . . . 3.5 2.7 4.5 . . . . . A . 17 SER H . . A . 17 SER HB2 . 1 . 17 SER HN . . . 1 . 17 SER HB* . . rr_2mu7 1
35 2 OR . 1 1 17 17 SER H H . . . 1 1 17 17 SER HB3 H . . . . . 3.5 2.7 4.5 . . . . . A . 17 SER H . . A . 17 SER HB3 . 1 . 17 SER HN . . . 1 . 17 SER HB* . . rr_2mu7 1
36 1 . . 1 1 2 2 TYR H H . . . 1 1 2 2 TYR HA H . . . . . 2.7 1.8 2.7 . . . . . A . 2 TYR H . . A . 2 TYR HA . 1 . 2 TYR HN . . . 1 . 2 TYR HA . . rr_2mu7 1
37 1 . . 1 1 5 5 PHE H H . . . 1 1 2 2 TYR HA H . . . . . 5.0 3.5 5.0 . . . . . A . 5 PHE H . . A . 2 TYR HA . 1 . 5 PHE HN . . . 1 . 2 TYR HA . . rr_2mu7 1
38 1 . . 1 1 4 4 LEU HA H . . . 1 1 7 7 LYS H H . . . . . 3.5 2.7 3.5 . . . . . A . 4 LEU HA . . A . 7 LYS H . 1 . 4 LEU HA . . . 1 . 7 LYS+ HN . . rr_2mu7 1
39 1 . . 1 1 11 11 VAL HA H . . . 1 1 12 12 LEU H H . . . . . 3.5 2.7 3.5 . . . . . A . 11 VAL HA . . A . 12 LEU H . 1 . 11 VAL HA . . . 1 . 12 LEU HN . . rr_2mu7 1
40 1 . . 1 1 7 7 LYS H H . . . 1 1 6 6 GLN HA H . . . . . 3.5 2.7 3.5 . . . . . A . 7 LYS H . . A . 6 GLN HA . 1 . 7 LYS+ HN . . . 1 . 6 GLN HA . . rr_2mu7 1
41 1 OR . 1 1 4 4 LEU H H . . . 1 1 3 3 SER HB2 H . . . . . 3.5 2.7 4.5 . . . . . A . 4 LEU H . . A . 3 SER HB2 . 1 . 4 LEU HN . . . 1 . 3 SER HB* . . rr_2mu7 1
41 2 OR . 1 1 4 4 LEU H H . . . 1 1 3 3 SER HB3 H . . . . . 3.5 2.7 4.5 . . . . . A . 4 LEU H . . A . 3 SER HB3 . 1 . 4 LEU HN . . . 1 . 3 SER HB* . . rr_2mu7 1
42 1 . . 1 1 8 8 GLU H H . . . 1 1 4 4 LEU HA H . . . . . 5.0 3.5 5.0 . . . . . A . 8 GLU H . . A . 4 LEU HA . 1 . 8 GLU- HN . . . 1 . 4 LEU HA . . rr_2mu7 1
43 1 . . 1 1 15 15 GLY H H . . . 1 1 12 12 LEU HA H . . . . . 5.0 3.5 5.0 . . . . . A . 15 GLY H . . A . 12 LEU HA . 1 . 15 GLY HN . . . 1 . 12 LEU HA . . rr_2mu7 1
44 1 . . 1 1 5 5 PHE HA H . . . 1 1 8 8 GLU H H . . . . . 5.0 3.5 5.0 . . . . . A . 5 PHE HA . . A . 8 GLU H . 1 . 5 PHE HA . . . 1 . 8 GLU- HN . . rr_2mu7 1
45 1 . . 1 1 3 3 SER H H . . . 1 1 2 2 TYR HB3 H . . . . . 5.0 3.5 5.0 . . . . . A . 3 SER H . . A . 2 TYR HB3 . 1 . 3 SER HN . . . 1 . 2 TYR HBS . . rr_2mu7 1
46 1 . . 1 1 3 3 SER H H . . . 1 1 2 2 TYR HB2 H . . . . . 5.0 3.5 5.0 . . . . . A . 3 SER H . . A . 2 TYR HB2 . 1 . 3 SER HN . . . 1 . 2 TYR HBR . . rr_2mu7 1
47 1 . . 1 1 5 5 PHE H H . . . 1 1 5 5 PHE HB3 H . . . . . 3.5 2.7 3.5 . . . . . A . 5 PHE H . . A . 5 PHE HB3 . 1 . 5 PHE HN . . . 1 . 5 PHE HBS . . rr_2mu7 1
48 1 . . 1 1 5 5 PHE H H . . . 1 1 5 5 PHE HB2 H . . . . . 3.5 2.7 3.5 . . . . . A . 5 PHE H . . A . 5 PHE HB2 . 1 . 5 PHE HN . . . 1 . 5 PHE HBR . . rr_2mu7 1
49 1 . . 1 1 6 6 GLN H H . . . 1 1 5 5 PHE HB2 H . . . . . 3.5 2.7 3.5 . . . . . A . 6 GLN H . . A . 5 PHE HB2 . 1 . 6 GLN HN . . . 1 . 5 PHE HBR . . rr_2mu7 1
50 1 . . 1 1 2 2 TYR H H . . . 1 1 2 2 TYR HB2 H . . . . . 3.5 2.7 3.5 . . . . . A . 2 TYR H . . A . 2 TYR HB2 . 1 . 2 TYR HN . . . 1 . 2 TYR HBR . . rr_2mu7 1
51 1 . . 1 1 2 2 TYR H H . . . 1 1 2 2 TYR HB3 H . . . . . 2.7 1.8 2.7 . . . . . A . 2 TYR H . . A . 2 TYR HB3 . 1 . 2 TYR HN . . . 1 . 2 TYR HBS . . rr_2mu7 1
52 1 . . 1 1 13 13 ASN H H . . . 1 1 13 13 ASN HB3 H . . . . . 2.7 1.8 2.7 . . . . . A . 13 ASN H . . A . 13 ASN HB3 . 1 . 13 ASN HN . . . 1 . 13 ASN HBR . . rr_2mu7 1
53 1 . . 1 1 14 14 GLU H H . . . 1 1 13 13 ASN HB3 H . . . . . 3.5 2.7 3.5 . . . . . A . 14 GLU H . . A . 13 ASN HB3 . 1 . 14 GLU- HN . . . 1 . 13 ASN HBR . . rr_2mu7 1
54 1 . . 1 1 13 13 ASN H H . . . 1 1 13 13 ASN HB2 H . . . . . 3.5 2.7 3.5 . . . . . A . 13 ASN H . . A . 13 ASN HB2 . 1 . 13 ASN HN . . . 1 . 13 ASN HBS . . rr_2mu7 1
55 1 OR . 1 1 14 14 GLU H H . . . 1 1 14 14 GLU HB2 H . . . . . 2.7 1.8 3.7 . . . . . A . 14 GLU H . . A . 14 GLU HB2 . 1 . 14 GLU- HN . . . 1 . 14 GLU HB* . . rr_2mu7 1
55 2 OR . 1 1 14 14 GLU H H . . . 1 1 14 14 GLU HB3 H . . . . . 2.7 1.8 3.7 . . . . . A . 14 GLU H . . A . 14 GLU HB3 . 1 . 14 GLU- HN . . . 1 . 14 GLU HB* . . rr_2mu7 1
56 1 . . 1 1 8 8 GLU H H . . . 1 1 8 8 GLU HG2 H . . . . . 3.5 2.7 3.5 . . . . . A . 8 GLU H . . A . 8 GLU HG2 . 1 . 8 GLU- HN . . . 1 . 8 GLU- HGS . . rr_2mu7 1
57 1 . . 1 1 8 8 GLU H H . . . 1 1 8 8 GLU HG3 H . . . . . 3.5 2.7 3.5 . . . . . A . 8 GLU H . . A . 8 GLU HG3 . 1 . 8 GLU- HN . . . 1 . 8 GLU- HGR . . rr_2mu7 1
58 1 . . 1 1 14 14 GLU H H . . . 1 1 14 14 GLU HG3 H . . . . . 5.0 3.5 5.0 . . . . . A . 14 GLU H . . A . 14 GLU HG3 . 1 . 14 GLU- HN . . . 1 . 14 GLU- HGR . . rr_2mu7 1
59 1 . . 1 1 14 14 GLU H H . . . 1 1 14 14 GLU HG2 H . . . . . 3.5 2.7 3.5 . . . . . A . 14 GLU H . . A . 14 GLU HG2 . 1 . 14 GLU- HN . . . 1 . 14 GLU- HGS . . rr_2mu7 1
60 1 OR . 1 1 6 6 GLN H H . . . 1 1 6 6 GLN HG2 H . . . . . 3.5 2.7 4.5 . . . . . A . 6 GLN H . . A . 6 GLN HG2 . 1 . 6 GLN HN . . . 1 . 6 GLN HG* . . rr_2mu7 1
60 2 OR . 1 1 6 6 GLN H H . . . 1 1 6 6 GLN HG3 H . . . . . 3.5 2.7 4.5 . . . . . A . 6 GLN H . . A . 6 GLN HG3 . 1 . 6 GLN HN . . . 1 . 6 GLN HG* . . rr_2mu7 1
61 1 . . 1 1 11 11 VAL H H . . . 1 1 11 11 VAL HB H . . . . . 2.7 1.8 2.7 . . . . . A . 11 VAL H . . A . 11 VAL HB . 1 . 11 VAL HN . . . 1 . 11 VAL HB . . rr_2mu7 1
62 1 . . 1 1 6 6 GLN H H . . . 1 1 6 6 GLN HB2 H . . . . . 2.7 1.8 2.7 . . . . . A . 6 GLN H . . A . 6 GLN HB2 . 1 . 6 GLN HN . . . 1 . 6 GLN HBR . . rr_2mu7 1
63 1 OR . 1 1 9 9 LYS H H . . . 1 1 10 10 MET HB2 H . . . . . 3.5 2.7 4.5 . . . . . A . 9 LYS H . . A . 10 MET HB2 . 1 . 9 LYS+ HN . . . 1 . 10 MET HB* . . rr_2mu7 1
63 2 OR . 1 1 9 9 LYS H H . . . 1 1 10 10 MET HB3 H . . . . . 3.5 2.7 4.5 . . . . . A . 9 LYS H . . A . 10 MET HB3 . 1 . 9 LYS+ HN . . . 1 . 10 MET HB* . . rr_2mu7 1
64 1 . . 1 1 7 7 LYS H H . . . 1 1 6 6 GLN HB2 H . . . . . 3.5 2.7 3.5 . . . . . A . 7 LYS H . . A . 6 GLN HB2 . 1 . 7 LYS+ HN . . . 1 . 6 GLN HBR . . rr_2mu7 1
65 1 OR . 1 1 10 10 MET H H . . . 1 1 10 10 MET HB2 H . . . . . 2.7 1.8 3.7 . . . . . A . 10 MET H . . A . 10 MET HB2 . 1 . 10 MET HN . . . 1 . 10 MET HB* . . rr_2mu7 1
65 2 OR . 1 1 10 10 MET H H . . . 1 1 10 10 MET HB3 H . . . . . 2.7 1.8 3.7 . . . . . A . 10 MET H . . A . 10 MET HB3 . 1 . 10 MET HN . . . 1 . 10 MET HB* . . rr_2mu7 1
66 1 . . 1 1 8 8 GLU H H . . . 1 1 8 8 GLU HB3 H . . . . . 2.7 1.8 2.7 . . . . . A . 8 GLU H . . A . 8 GLU HB3 . 1 . 8 GLU- HN . . . 1 . 8 GLU- HBS . . rr_2mu7 1
67 1 . . 1 1 8 8 GLU H H . . . 1 1 7 7 LYS HB3 H . . . . . 3.5 2.7 3.5 . . . . . A . 8 GLU H . . A . 7 LYS HB3 . 1 . 8 GLU- HN . . . 1 . 7 LYS+ HBS . . rr_2mu7 1
68 1 . . 1 1 6 6 GLN H H . . . 1 1 6 6 GLN HB3 H . . . . . 2.7 1.8 2.7 . . . . . A . 6 GLN H . . A . 6 GLN HB3 . 1 . 6 GLN HN . . . 1 . 6 GLN HBS . . rr_2mu7 1
69 1 . . 1 1 9 9 LYS H H . . . 1 1 9 9 LYS HB2 H . . . . . 2.7 1.8 2.7 . . . . . A . 9 LYS H . . A . 9 LYS HB2 . 1 . 9 LYS+ HN . . . 1 . 9 LYS+ HBR . . rr_2mu7 1
70 1 . . 1 1 7 7 LYS H H . . . 1 1 7 7 LYS HB2 H . . . . . 3.5 2.7 3.5 . . . . . A . 7 LYS H . . A . 7 LYS HB2 . 1 . 7 LYS+ HN . . . 1 . 7 LYS+ HBR . . rr_2mu7 1
71 1 . . 1 1 7 7 LYS H H . . . 1 1 7 7 LYS HB3 H . . . . . 2.7 1.8 2.7 . . . . . A . 7 LYS H . . A . 7 LYS HB3 . 1 . 7 LYS+ HN . . . 1 . 7 LYS+ HBS . . rr_2mu7 1
72 1 . . 1 1 12 12 LEU H H . . . 1 1 12 12 LEU HB2 H . . . . . 2.7 1.8 2.7 . . . . . A . 12 LEU H . . A . 12 LEU HB2 . 1 . 12 LEU HN . . . 1 . 12 LEU HBR . . rr_2mu7 1
73 1 . . 1 1 13 13 ASN H H . . . 1 1 12 12 LEU HB2 H . . . . . 3.5 2.7 3.5 . . . . . A . 13 ASN H . . A . 12 LEU HB2 . 1 . 13 ASN HN . . . 1 . 12 LEU HBR . . rr_2mu7 1
74 1 . . 1 1 9 9 LYS H H . . . 1 1 9 9 LYS HB3 H . . . . . 2.7 1.8 2.7 . . . . . A . 9 LYS H . . A . 9 LYS HB3 . 1 . 9 LYS+ HN . . . 1 . 9 LYS+ HBS . . rr_2mu7 1
75 1 . . 1 1 10 10 MET H H . . . 1 1 9 9 LYS HB3 H . . . . . 2.7 1.8 2.7 . . . . . A . 10 MET H . . A . 9 LYS HB3 . 1 . 10 MET HN . . . 1 . 9 LYS+ HBS . . rr_2mu7 1
76 1 . . 1 1 12 12 LEU H H . . . 1 1 12 12 LEU HB3 H . . . . . 3.5 2.7 3.5 . . . . . A . 12 LEU H . . A . 12 LEU HB3 . 1 . 12 LEU HN . . . 1 . 12 LEU HBS . . rr_2mu7 1
77 1 . . 1 1 13 13 ASN H H . . . 1 1 12 12 LEU HB3 H . . . . . 3.5 2.7 3.5 . . . . . A . 13 ASN H . . A . 12 LEU HB3 . 1 . 13 ASN HN . . . 1 . 12 LEU HBS . . rr_2mu7 1
78 1 . . 1 1 4 4 LEU H H . . . 1 1 4 4 LEU HB3 H . . . . . 2.7 1.8 2.7 . . . . . A . 4 LEU H . . A . 4 LEU HB3 . 1 . 4 LEU HN . . . 1 . 4 LEU HBS . . rr_2mu7 1
79 1 . . 1 1 4 4 LEU H H . . . 1 1 4 4 LEU HB2 H . . . . . 3.5 2.7 3.5 . . . . . A . 4 LEU H . . A . 4 LEU HB2 . 1 . 4 LEU HN . . . 1 . 4 LEU HBR . . rr_2mu7 1
80 1 . . 1 1 5 5 PHE H H . . . 1 1 4 4 LEU HB2 H . . . . . 3.5 2.7 3.5 . . . . . A . 5 PHE H . . A . 4 LEU HB2 . 1 . 5 PHE HN . . . 1 . 4 LEU HBR . . rr_2mu7 1
81 1 . . 1 1 5 5 PHE H H . . . 1 1 4 4 LEU HB3 H . . . . . 3.5 2.7 3.5 . . . . . A . 5 PHE H . . A . 4 LEU HB3 . 1 . 5 PHE HN . . . 1 . 4 LEU HBS . . rr_2mu7 1
82 1 OR . 1 1 7 7 LYS H H . . . 1 1 7 7 LYS HG2 H . . . . . 3.5 2.7 4.5 . . . . . A . 7 LYS H . . A . 7 LYS HG2 . 1 . 7 LYS+ HN . . . 1 . 7 LYS HG* . . rr_2mu7 1
82 2 OR . 1 1 7 7 LYS H H . . . 1 1 7 7 LYS HG3 H . . . . . 3.5 2.7 4.5 . . . . . A . 7 LYS H . . A . 7 LYS HG3 . 1 . 7 LYS+ HN . . . 1 . 7 LYS HG* . . rr_2mu7 1
83 1 OR . 1 1 16 16 THR H H . . . 1 1 16 16 THR MG H . . . . . 3.5 2.7 3.5 . . . . . A . 16 THR H . . A . 16 THR MG . 1 . 16 THR HN . . . 1 . 16 THR HG* . . rr_2mu7 1
83 2 OR . 1 1 16 16 THR H H . . . 1 1 16 16 THR HG1 H . . . . . 3.5 2.7 3.5 . . . . . A . 16 THR H . . A . 16 THR HG1 . 1 . 16 THR HN . . . 1 . 16 THR HG* . . rr_2mu7 1
84 1 . . 1 1 12 12 LEU H H . . . 1 1 11 11 VAL MG1 H . . . . . 3.5 2.7 4.5 . . . . . A . 12 LEU H . . A . 11 VAL MG1 . 1 . 12 LEU HN . . . 1 . 11 VAL HGR* . . rr_2mu7 1
85 1 . . 1 1 2 2 TYR HB2 H . . . 1 1 2 2 TYR QD H . . . . . 2.7 1.8 4.7 . . . . . A . 2 TYR HB2 . . A . 2 TYR QD . 1 . 2 TYR HBR . . . 1 . 2 TYR HD* . . rr_2mu7 1
86 1 . . 1 1 2 2 TYR HB3 H . . . 1 1 2 2 TYR QD H . . . . . 2.7 1.8 4.7 . . . . . A . 2 TYR HB3 . . A . 2 TYR QD . 1 . 2 TYR HBS . . . 1 . 2 TYR HD* . . rr_2mu7 1
87 1 . . 1 1 5 5 PHE HB3 H . . . 1 1 5 5 PHE QD H . . . . . 2.7 1.8 4.7 . . . . . A . 5 PHE HB3 . . A . 5 PHE QD . 1 . 5 PHE HBS . . . 1 . 5 PHE HD* . . rr_2mu7 1
88 1 . . 1 1 5 5 PHE HB2 H . . . 1 1 5 5 PHE QD H . . . . . 2.7 1.8 4.7 . . . . . A . 5 PHE HB2 . . A . 5 PHE QD . 1 . 5 PHE HBR . . . 1 . 5 PHE HD* . . rr_2mu7 1
89 1 . . 1 1 5 5 PHE H H . . . 1 1 6 6 GLN H H . . . . . 2.7 1.8 2.7 . . . . . A . 5 PHE H . . A . 6 GLN H . 1 . 5 PHE HN . . . 1 . 6 GLN HN . . rr_2mu7 1
90 1 . . 1 1 10 10 MET H H . . . 1 1 9 9 LYS H H . . . . . 3.5 2.7 3.5 . . . . . A . 10 MET H . . A . 9 LYS H . 1 . 10 MET HN . . . 1 . 9 LYS+ HN . . rr_2mu7 1
91 1 . . 1 1 11 11 VAL H H . . . 1 1 10 10 MET H H . . . . . 2.7 1.8 2.7 . . . . . A . 11 VAL H . . A . 10 MET H . 1 . 11 VAL HN . . . 1 . 10 MET HN . . rr_2mu7 1
92 1 . . 1 1 7 7 LYS H H . . . 1 1 6 6 GLN H H . . . . . 3.5 2.7 3.5 . . . . . A . 7 LYS H . . A . 6 GLN H . 1 . 7 LYS+ HN . . . 1 . 6 GLN HN . . rr_2mu7 1
93 1 . . 1 1 4 4 LEU H H . . . 1 1 3 3 SER H H . . . . . 2.7 1.8 2.7 . . . . . A . 4 LEU H . . A . 3 SER H . 1 . 4 LEU HN . . . 1 . 3 SER HN . . rr_2mu7 1
94 1 . . 1 1 8 8 GLU H H . . . 1 1 7 7 LYS H H . . . . . 2.7 1.8 2.7 . . . . . A . 8 GLU H . . A . 7 LYS H . 1 . 8 GLU- HN . . . 1 . 7 LYS+ HN . . rr_2mu7 1
95 1 . . 1 1 15 15 GLY H H . . . 1 1 16 16 THR H H . . . . . 3.5 2.7 3.5 . . . . . A . 15 GLY H . . A . 16 THR H . 1 . 15 GLY HN . . . 1 . 16 THR HN . . rr_2mu7 1
96 1 . . 1 1 17 17 SER H H . . . 1 1 16 16 THR H H . . . . . 3.5 2.7 3.5 . . . . . A . 17 SER H . . A . 16 THR H . 1 . 17 SER HN . . . 1 . 16 THR HN . . rr_2mu7 1
97 1 . . 1 1 19 19 THR H H . . . 1 1 18 18 GLY H H . . . . . 2.7 1.8 2.7 . . . . . A . 19 THR H . . A . 18 GLY H . 1 . 19 THR HN . . . 1 . 18 GLY HN . . rr_2mu7 1
98 1 . . 1 1 2 2 TYR H H . . . 1 1 3 3 SER H H . . . . . 3.5 2.7 3.5 . . . . . A . 2 TYR H . . A . 3 SER H . 1 . 2 TYR HN . . . 1 . 3 SER HN . . rr_2mu7 1
99 1 . . 1 1 15 15 GLY H H . . . 1 1 14 14 GLU H H . . . . . 2.7 1.8 2.7 . . . . . A . 15 GLY H . . A . 14 GLU H . 1 . 15 GLY HN . . . 1 . 14 GLU- HN . . rr_2mu7 1
100 1 . . 1 1 18 18 GLY H H . . . 1 1 17 17 SER H H . . . . . 3.5 2.7 3.5 . . . . . A . 18 GLY H . . A . 17 SER H . 1 . 18 GLY HN . . . 1 . 17 SER HN . . rr_2mu7 1
101 1 . . 1 1 5 5 PHE QD H . . . 1 1 5 5 PHE QE H . . . . . 2.7 1.8 6.7 . . . . . A . 5 PHE QD . . A . 5 PHE QE . 1 . 5 PHE HD* . . . 1 . 5 PHE HE* . . rr_2mu7 1
102 1 . . 1 1 2 2 TYR QD H . . . 1 1 2 2 TYR QE H . . . . . 2.7 1.8 6.7 . . . . . A . 2 TYR QD . . A . 2 TYR QE . 1 . 2 TYR HD* . . . 1 . 2 TYR HE* . . rr_2mu7 1
103 1 . . 1 1 13 13 ASN HD21 H . . . 1 1 13 13 ASN HD22 H . . . . . 2.7 1.8 2.7 . . . . . A . 13 ASN HD21 . . A . 13 ASN HD22 . 1 . 13 ASN HD21 . . . 1 . 13 ASN HD22 . . rr_2mu7 1
104 1 . . 1 1 6 6 GLN HE21 H . . . 1 1 6 6 GLN HE22 H . . . . . 2.7 1.8 2.7 . . . . . A . 6 GLN HE21 . . A . 6 GLN HE22 . 1 . 6 GLN HE21 . . . 1 . 6 GLN HE22 . . rr_2mu7 1
105 1 . . 1 1 5 5 PHE HA H . . . 1 1 5 5 PHE HB3 H . . . . . 3.5 2.7 3.5 . . . . . A . 5 PHE HA . . A . 5 PHE HB3 . 1 . 5 PHE HA . . . 1 . 5 PHE HBS . . rr_2mu7 1
106 1 OR . 1 1 3 3 SER HA H . . . 1 1 3 3 SER HB2 H . . . . . 3.5 2.7 4.5 . . . . . A . 3 SER HA . . A . 3 SER HB2 . 1 . 3 SER HA . . . 1 . 3 SER HB* . . rr_2mu7 1
106 2 OR . 1 1 3 3 SER HA H . . . 1 1 3 3 SER HB3 H . . . . . 3.5 2.7 4.5 . . . . . A . 3 SER HA . . A . 3 SER HB3 . 1 . 3 SER HA . . . 1 . 3 SER HB* . . rr_2mu7 1
107 1 . . 1 1 5 5 PHE HA H . . . 1 1 5 5 PHE HB2 H . . . . . 3.5 2.7 3.5 . . . . . A . 5 PHE HA . . A . 5 PHE HB2 . 1 . 5 PHE HA . . . 1 . 5 PHE HBR . . rr_2mu7 1
108 1 . . 1 1 2 2 TYR HA H . . . 1 1 5 5 PHE HB2 H . . . . . 5.0 3.5 5.0 . . . . . A . 2 TYR HA . . A . 5 PHE HB2 . 1 . 2 TYR HA . . . 1 . 5 PHE HBR . . rr_2mu7 1
109 1 . . 1 1 2 2 TYR HA H . . . 1 1 2 2 TYR HB3 H . . . . . 3.5 2.7 3.5 . . . . . A . 2 TYR HA . . A . 2 TYR HB3 . 1 . 2 TYR HA . . . 1 . 2 TYR HBS . . rr_2mu7 1
110 1 . . 1 1 2 2 TYR HA H . . . 1 1 2 2 TYR HB2 H . . . . . 3.5 2.7 3.5 . . . . . A . 2 TYR HA . . A . 2 TYR HB2 . 1 . 2 TYR HA . . . 1 . 2 TYR HBR . . rr_2mu7 1
111 1 . . 1 1 13 13 ASN HA H . . . 1 1 13 13 ASN HB3 H . . . . . 3.5 2.7 3.5 . . . . . A . 13 ASN HA . . A . 13 ASN HB3 . 1 . 13 ASN HA . . . 1 . 13 ASN HBR . . rr_2mu7 1
112 1 . . 1 1 10 10 MET HA H . . . 1 1 13 13 ASN HB3 H . . . . . 5.0 3.5 5.0 . . . . . A . 10 MET HA . . A . 13 ASN HB3 . 1 . 10 MET HA . . . 1 . 13 ASN HBR . . rr_2mu7 1
113 1 . . 1 1 5 5 PHE HA H . . . 1 1 8 8 GLU HB2 H . . . . . 5.0 3.5 5.0 . . . . . A . 5 PHE HA . . A . 8 GLU HB2 . 1 . 5 PHE HA . . . 1 . 8 GLU- HBR . . rr_2mu7 1
114 1 OR . 1 1 14 14 GLU HA H . . . 1 1 14 14 GLU HB2 H . . . . . 3.5 2.7 4.5 . . . . . A . 14 GLU HA . . A . 14 GLU HB2 . 1 . 14 GLU- HA . . . 1 . 14 GLU HB* . . rr_2mu7 1
114 2 OR . 1 1 14 14 GLU HA H . . . 1 1 14 14 GLU HB3 H . . . . . 3.5 2.7 4.5 . . . . . A . 14 GLU HA . . A . 14 GLU HB3 . 1 . 14 GLU- HA . . . 1 . 14 GLU HB* . . rr_2mu7 1
115 1 OR . 1 1 10 10 MET HA H . . . 1 1 10 10 MET HB2 H . . . . . 3.5 2.7 4.5 . . . . . A . 10 MET HA . . A . 10 MET HB2 . 1 . 10 MET HA . . . 1 . 10 MET HB* . . rr_2mu7 1
115 2 OR . 1 1 10 10 MET HA H . . . 1 1 10 10 MET HB3 H . . . . . 3.5 2.7 4.5 . . . . . A . 10 MET HA . . A . 10 MET HB3 . 1 . 10 MET HA . . . 1 . 10 MET HB* . . rr_2mu7 1
116 1 . . 1 1 8 8 GLU HA H . . . 1 1 8 8 GLU HB2 H . . . . . 3.5 2.7 3.5 . . . . . A . 8 GLU HA . . A . 8 GLU HB2 . 1 . 8 GLU- HA . . . 1 . 8 GLU- HBR . . rr_2mu7 1
117 1 . . 1 1 6 6 GLN HA H . . . 1 1 6 6 GLN HB2 H . . . . . 3.5 2.7 3.5 . . . . . A . 6 GLN HA . . A . 6 GLN HB2 . 1 . 6 GLN HA . . . 1 . 6 GLN HBR . . rr_2mu7 1
118 1 . . 1 1 6 6 GLN HA H . . . 1 1 6 6 GLN HB3 H . . . . . 3.5 2.7 3.5 . . . . . A . 6 GLN HA . . A . 6 GLN HB3 . 1 . 6 GLN HA . . . 1 . 6 GLN HBS . . rr_2mu7 1
119 1 . . 1 1 11 11 VAL HA H . . . 1 1 11 11 VAL HB H . . . . . 3.5 2.7 3.5 . . . . . A . 11 VAL HA . . A . 11 VAL HB . 1 . 11 VAL HA . . . 1 . 11 VAL HB . . rr_2mu7 1
120 1 . . 1 1 4 4 LEU HA H . . . 1 1 7 7 LYS HB3 H . . . . . 3.5 2.7 3.5 . . . . . A . 4 LEU HA . . A . 7 LYS HB3 . 1 . 4 LEU HA . . . 1 . 7 LYS+ HBS . . rr_2mu7 1
121 1 . . 1 1 7 7 LYS HA H . . . 1 1 7 7 LYS HB3 H . . . . . 2.7 1.8 2.7 . . . . . A . 7 LYS HA . . A . 7 LYS HB3 . 1 . 7 LYS+ HA . . . 1 . 7 LYS+ HBS . . rr_2mu7 1
122 1 . . 1 1 9 9 LYS HA H . . . 1 1 9 9 LYS HB3 H . . . . . 2.7 1.8 2.7 . . . . . A . 9 LYS HA . . A . 9 LYS HB3 . 1 . 9 LYS+ HA . . . 1 . 9 LYS+ HBS . . rr_2mu7 1
123 1 . . 1 1 12 12 LEU HA H . . . 1 1 12 12 LEU HB2 H . . . . . 3.5 2.7 3.5 . . . . . A . 12 LEU HA . . A . 12 LEU HB2 . 1 . 12 LEU HA . . . 1 . 12 LEU HBR . . rr_2mu7 1
124 1 . . 1 1 4 4 LEU HA H . . . 1 1 4 4 LEU HB2 H . . . . . 3.5 2.7 3.5 . . . . . A . 4 LEU HA . . A . 4 LEU HB2 . 1 . 4 LEU HA . . . 1 . 4 LEU HBR . . rr_2mu7 1
125 1 . . 1 1 4 4 LEU HA H . . . 1 1 4 4 LEU HB3 H . . . . . 2.7 1.8 2.7 . . . . . A . 4 LEU HA . . A . 4 LEU HB3 . 1 . 4 LEU HA . . . 1 . 4 LEU HBS . . rr_2mu7 1
126 1 . . 1 1 12 12 LEU HA H . . . 1 1 12 12 LEU HB3 H . . . . . 3.5 2.7 3.5 . . . . . A . 12 LEU HA . . A . 12 LEU HB3 . 1 . 12 LEU HA . . . 1 . 12 LEU HBS . . rr_2mu7 1
127 1 . . 1 1 8 8 GLU HG2 H . . . 1 1 8 8 GLU HG3 H . . . . . 2.7 1.8 2.7 . . . . . A . 8 GLU HG2 . . A . 8 GLU HG3 . 1 . 8 GLU- HGS . . . 1 . 8 GLU- HGR . . rr_2mu7 1
128 1 . . 1 1 8 8 GLU HA H . . . 1 1 12 12 LEU H H . . . . . 5.0 3.5 5.0 . . . . . A . 8 GLU HA . . A . 12 LEU H . 1 . 8 GLU- HA . . . 1 . 12 LEU HN . . rr_2mu7 1
stop_
loop_
_Gen_dist_constraint_comment_org.ID
_Gen_dist_constraint_comment_org.Comment_text
_Gen_dist_constraint_comment_org.Comment_begin_line
_Gen_dist_constraint_comment_org.Comment_begin_column
_Gen_dist_constraint_comment_org.Comment_end_line
_Gen_dist_constraint_comment_org.Comment_end_column
_Gen_dist_constraint_comment_org.Entry_ID
_Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID
1 NOE_distance 1 1 1 13 rr_2mu7 1
2 strong: 2 87 2 102 rr_2mu7 1
3 strong: 3 87 3 102 rr_2mu7 1
4 medium: 4 87 4 102 rr_2mu7 1
5 strong: 5 87 5 102 rr_2mu7 1
6 strong: 6 87 6 102 rr_2mu7 1
7 strong: 7 87 7 102 rr_2mu7 1
8 strong: 8 87 8 102 rr_2mu7 1
9 strong: 9 87 9 102 rr_2mu7 1
10 medium: 10 87 10 102 rr_2mu7 1
11 medium: 11 87 11 102 rr_2mu7 1
12 strong: 12 87 12 102 rr_2mu7 1
13 medium: 13 87 13 102 rr_2mu7 1
14 weak: 14 87 14 100 rr_2mu7 1
15 medium: 15 87 15 102 rr_2mu7 1
16 medium: 16 87 16 102 rr_2mu7 1
17 medium: 17 87 17 102 rr_2mu7 1
18 strong: 18 87 18 102 rr_2mu7 1
19 strong: 19 87 19 102 rr_2mu7 1
20 medium: 20 87 20 102 rr_2mu7 1
21 strong: 21 87 21 102 rr_2mu7 1
22 medium: 22 87 22 102 rr_2mu7 1
23 medium: 23 87 23 102 rr_2mu7 1
24 medium: 24 87 24 102 rr_2mu7 1
25 medium: 25 87 25 102 rr_2mu7 1
26 medium: 26 87 26 102 rr_2mu7 1
27 medium: 27 87 27 102 rr_2mu7 1
28 medium: 28 87 28 102 rr_2mu7 1
29 medium: 29 87 29 102 rr_2mu7 1
30 strong: 30 87 30 102 rr_2mu7 1
31 medium: 31 87 31 102 rr_2mu7 1
32 strong: 32 87 32 102 rr_2mu7 1
33 strong: 33 87 33 102 rr_2mu7 1
34 medium: 34 87 34 102 rr_2mu7 1
35 weak: 35 87 35 102 rr_2mu7 1
36 medium: 36 87 36 102 rr_2mu7 1
37 medium: 37 87 37 102 rr_2mu7 1
38 medium: 38 87 38 102 rr_2mu7 1
39 strong: 39 87 39 102 rr_2mu7 1
40 weak: 40 87 40 100 rr_2mu7 1
41 medium: 41 87 41 102 rr_2mu7 1
42 medium: 42 87 42 102 rr_2mu7 1
43 medium: 43 87 43 102 rr_2mu7 1
44 medium: 44 87 44 102 rr_2mu7 1
45 weak: 45 87 45 100 rr_2mu7 1
46 weak: 46 87 46 100 rr_2mu7 1
47 weak: 47 87 47 102 rr_2mu7 1
48 weak: 48 87 48 100 rr_2mu7 1
49 weak: 49 87 49 100 rr_2mu7 1
50 medium: 50 87 50 102 rr_2mu7 1
51 medium: 51 87 51 102 rr_2mu7 1
52 medium: 52 87 52 102 rr_2mu7 1
53 medium: 53 87 53 102 rr_2mu7 1
54 strong: 54 87 54 102 rr_2mu7 1
55 strong: 55 87 55 102 rr_2mu7 1
56 medium: 56 87 56 102 rr_2mu7 1
57 medium: 57 87 57 102 rr_2mu7 1
58 strong: 58 87 58 102 rr_2mu7 1
59 medium: 59 87 59 102 rr_2mu7 1
60 medium: 60 87 60 102 rr_2mu7 1
61 weak: 61 87 61 100 rr_2mu7 1
62 medium: 62 87 62 102 rr_2mu7 1
63 medium: 63 87 63 102 rr_2mu7 1
64 strong: 64 87 64 102 rr_2mu7 1
65 strong: 65 87 65 102 rr_2mu7 1
66 medium: 66 87 66 102 rr_2mu7 1
67 medium: 67 87 67 102 rr_2mu7 1
68 strong: 68 87 68 102 rr_2mu7 1
69 strong: 69 87 69 102 rr_2mu7 1
70 medium: 70 87 70 102 rr_2mu7 1
71 strong: 71 87 71 102 rr_2mu7 1
72 strong: 72 87 72 102 rr_2mu7 1
73 medium: 73 87 73 102 rr_2mu7 1
74 strong: 74 87 74 102 rr_2mu7 1
75 strong: 75 87 75 102 rr_2mu7 1
76 medium: 76 87 76 101 rr_2mu7 1
77 strong: 77 87 77 102 rr_2mu7 1
78 strong: 78 87 78 102 rr_2mu7 1
79 medium: 79 87 79 102 rr_2mu7 1
80 medium: 80 87 80 102 rr_2mu7 1
81 strong: 81 87 81 102 rr_2mu7 1
82 medium: 82 87 82 102 rr_2mu7 1
83 medium: 83 87 83 102 rr_2mu7 1
84 medium: 84 87 84 102 rr_2mu7 1
85 medium: 85 87 85 102 rr_2mu7 1
86 medium: 86 87 86 110 rr_2mu7 1
87 medium: 87 87 87 118 rr_2mu7 1
88 strong: 88 87 88 102 rr_2mu7 1
89 strong: 89 87 89 102 rr_2mu7 1
90 strong: 90 87 90 102 rr_2mu7 1
91 strong: 91 87 91 102 rr_2mu7 1
92 strong: 92 87 92 102 rr_2mu7 1
93 medium: 93 87 93 102 rr_2mu7 1
94 strong: 94 87 94 102 rr_2mu7 1
95 medium: 95 87 95 102 rr_2mu7 1
96 strong: 96 87 96 102 rr_2mu7 1
97 strong: 97 87 97 102 rr_2mu7 1
98 medium: 98 87 98 102 rr_2mu7 1
99 medium: 99 87 99 102 rr_2mu7 1
100 strong: 100 87 100 102 rr_2mu7 1
101 medium: 101 87 101 101 rr_2mu7 1
102 strong: 102 87 102 102 rr_2mu7 1
103 medium: 103 87 103 102 rr_2mu7 1
104 strong: 104 87 104 102 rr_2mu7 1
105 strong: 105 87 105 102 rr_2mu7 1
106 strong: 106 87 106 102 rr_2mu7 1
107 strong: 107 87 107 102 rr_2mu7 1
108 medium: 108 87 108 102 rr_2mu7 1
109 medium: 109 87 109 102 rr_2mu7 1
110 medium: 110 87 110 102 rr_2mu7 1
111 weak: 111 87 111 100 rr_2mu7 1
112 medium: 112 87 112 102 rr_2mu7 1
113 medium: 113 87 113 102 rr_2mu7 1
114 medium: 114 87 114 102 rr_2mu7 1
115 weak: 115 87 115 100 rr_2mu7 1
116 weak: 116 87 116 100 rr_2mu7 1
117 medium: 117 87 117 102 rr_2mu7 1
118 medium: 118 87 118 102 rr_2mu7 1
119 medium: 119 87 119 102 rr_2mu7 1
120 medium: 120 87 120 102 rr_2mu7 1
121 medium: 121 87 121 102 rr_2mu7 1
122 medium: 122 87 122 102 rr_2mu7 1
123 medium: 123 87 123 102 rr_2mu7 1
124 strong: 124 87 124 102 rr_2mu7 1
125 strong: 125 87 125 102 rr_2mu7 1
126 medium: 126 87 126 102 rr_2mu7 1
127 medium: 127 87 127 102 rr_2mu7 1
128 strong: 128 87 128 102 rr_2mu7 1
129 medium: 129 87 129 102 rr_2mu7 1
130 strong: 130 87 130 102 rr_2mu7 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 4 2 1 "Not handling restraint 2, item 1, resonance(s) '1.1.HN' (nmrStar names) not linked" rr_2mu7 1
2 4 26 1 "Not handling restraint 26, item 1, resonance(s) '1.1.HN' (nmrStar names) not linked" rr_2mu7 1
stop_
save_
save_Discover_distance_constraints_3
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode Discover_distance_constraints_3
_Gen_dist_constraint_list.Entry_ID rr_2mu7
_Gen_dist_constraint_list.ID 1
_Gen_dist_constraint_list.Constraint_type "hydrogen bond"
_Gen_dist_constraint_list.Details "Generated by Wattos"
_Gen_dist_constraint_list.Constraint_file_ID 1
_Gen_dist_constraint_list.Block_ID 3
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_2mu7 2
stop_
loop_
_Gen_dist_constraint.ID
_Gen_dist_constraint.Member_ID
_Gen_dist_constraint.Member_logic_code
_Gen_dist_constraint.Assembly_atom_ID_1
_Gen_dist_constraint.Entity_assembly_ID_1
_Gen_dist_constraint.Entity_ID_1
_Gen_dist_constraint.Comp_index_ID_1
_Gen_dist_constraint.Seq_ID_1
_Gen_dist_constraint.Comp_ID_1
_Gen_dist_constraint.Atom_ID_1
_Gen_dist_constraint.Atom_type_1
_Gen_dist_constraint.Atom_isotope_number_1
_Gen_dist_constraint.Resonance_ID_1
_Gen_dist_constraint.Assembly_atom_ID_2
_Gen_dist_constraint.Entity_assembly_ID_2
_Gen_dist_constraint.Entity_ID_2
_Gen_dist_constraint.Comp_index_ID_2
_Gen_dist_constraint.Seq_ID_2
_Gen_dist_constraint.Comp_ID_2
_Gen_dist_constraint.Atom_ID_2
_Gen_dist_constraint.Atom_type_2
_Gen_dist_constraint.Atom_isotope_number_2
_Gen_dist_constraint.Resonance_ID_2
_Gen_dist_constraint.Intensity_val
_Gen_dist_constraint.Intensity_lower_val_err
_Gen_dist_constraint.Intensity_upper_val_err
_Gen_dist_constraint.Distance_val
_Gen_dist_constraint.Distance_lower_bound_val
_Gen_dist_constraint.Distance_upper_bound_val
_Gen_dist_constraint.Contribution_fractional_val
_Gen_dist_constraint.Spectral_peak_ID
_Gen_dist_constraint.Spectral_peak_list_ID
_Gen_dist_constraint.PDB_record_ID_1
_Gen_dist_constraint.PDB_model_num_1
_Gen_dist_constraint.PDB_strand_ID_1
_Gen_dist_constraint.PDB_ins_code_1
_Gen_dist_constraint.PDB_residue_no_1
_Gen_dist_constraint.PDB_residue_name_1
_Gen_dist_constraint.PDB_atom_name_1
_Gen_dist_constraint.PDB_record_ID_2
_Gen_dist_constraint.PDB_model_num_2
_Gen_dist_constraint.PDB_strand_ID_2
_Gen_dist_constraint.PDB_ins_code_2
_Gen_dist_constraint.PDB_residue_no_2
_Gen_dist_constraint.PDB_residue_name_2
_Gen_dist_constraint.PDB_atom_name_2
_Gen_dist_constraint.Auth_entity_assembly_ID_1
_Gen_dist_constraint.Auth_asym_ID_1
_Gen_dist_constraint.Auth_chain_ID_1
_Gen_dist_constraint.Auth_seq_ID_1
_Gen_dist_constraint.Auth_comp_ID_1
_Gen_dist_constraint.Auth_atom_ID_1
_Gen_dist_constraint.Auth_alt_ID_1
_Gen_dist_constraint.Auth_atom_name_1
_Gen_dist_constraint.Auth_entity_assembly_ID_2
_Gen_dist_constraint.Auth_asym_ID_2
_Gen_dist_constraint.Auth_chain_ID_2
_Gen_dist_constraint.Auth_seq_ID_2
_Gen_dist_constraint.Auth_comp_ID_2
_Gen_dist_constraint.Auth_atom_ID_2
_Gen_dist_constraint.Auth_alt_ID_2
_Gen_dist_constraint.Auth_atom_name_2
_Gen_dist_constraint.Entry_ID
_Gen_dist_constraint.Gen_dist_constraint_list_ID
1 1 . . 1 1 6 6 GLN H H . . . 1 1 2 2 TYR O O . . . . . . 1.8 2.5 . . . . . A . 6 GLN H . . A . 2 TYR O . 1 . 6 GLN HN . . . 1 . 2 TYR O . . rr_2mu7 2
2 1 . . 1 1 10 10 MET H H . . . 1 1 6 6 GLN O O . . . . . . 1.8 2.5 . . . . . A . 10 MET H . . A . 6 GLN O . 1 . 10 MET HN . . . 1 . 6 GLN O . . rr_2mu7 2
3 1 . . 1 1 13 13 ASN H H . . . 1 1 9 9 LYS O O . . . . . . 1.8 2.5 . . . . . A . 13 ASN H . . A . 9 LYS O . 1 . 13 ASN HN . . . 1 . 9 LYS+ O . . rr_2mu7 2
4 1 . . 1 1 14 14 GLU H H . . . 1 1 10 10 MET O O . . . . . . 1.8 2.5 . . . . . A . 14 GLU H . . A . 10 MET O . 1 . 14 GLU- HN . . . 1 . 10 MET O . . rr_2mu7 2
5 1 . . 1 1 15 15 GLY H H . . . 1 1 11 11 VAL O O . . . . . . 1.8 2.5 . . . . . A . 15 GLY H . . A . 11 VAL O . 1 . 15 GLY HN . . . 1 . 11 VAL O . . rr_2mu7 2
stop_
loop_
_Gen_dist_constraint_comment_org.ID
_Gen_dist_constraint_comment_org.Comment_text
_Gen_dist_constraint_comment_org.Comment_begin_line
_Gen_dist_constraint_comment_org.Comment_begin_column
_Gen_dist_constraint_comment_org.Comment_end_line
_Gen_dist_constraint_comment_org.Comment_end_column
_Gen_dist_constraint_comment_org.Entry_ID
_Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID
1 distance 1 1 1 9 rr_2mu7 2
stop_
save_
save_Discover_distance_constraints_4_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode Discover_distance_constraints_4_1
_Distance_constraint_list.Entry_ID rr_2mu7
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Details "Generated by Wattos"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 4
loop_
_Distance_constraint_software.Software_ID
_Distance_constraint_software.Software_label
_Distance_constraint_software.Method_ID
_Distance_constraint_software.Method_label
_Distance_constraint_software.Entry_ID
_Distance_constraint_software.Distance_constraint_list_ID
. . . . rr_2mu7 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_2mu7 1
2 1 . . . rr_2mu7 1
3 1 . . . rr_2mu7 1
4 1 . . . rr_2mu7 1
5 1 . . . rr_2mu7 1
6 1 . . . rr_2mu7 1
7 1 2 . OR rr_2mu7 1
7 2 . 3 . rr_2mu7 1
7 3 . . . rr_2mu7 1
8 1 2 . OR rr_2mu7 1
8 2 . 3 . rr_2mu7 1
8 3 . . . rr_2mu7 1
9 1 . . . rr_2mu7 1
10 1 . . . rr_2mu7 1
11 1 . . . rr_2mu7 1
12 1 . . . rr_2mu7 1
13 1 . . . rr_2mu7 1
14 1 . . . rr_2mu7 1
15 1 . . . rr_2mu7 1
16 1 . . . rr_2mu7 1
17 1 . . . rr_2mu7 1
18 1 . . . rr_2mu7 1
19 1 . . . rr_2mu7 1
20 1 . . . rr_2mu7 1
21 1 . . . rr_2mu7 1
22 1 . . . rr_2mu7 1
23 1 . . . rr_2mu7 1
24 1 . . . rr_2mu7 1
25 1 . . . rr_2mu7 1
26 1 . . . rr_2mu7 1
27 1 . . . rr_2mu7 1
28 1 . . . rr_2mu7 1
29 1 . . . rr_2mu7 1
30 1 . . . rr_2mu7 1
31 1 . . . rr_2mu7 1
32 1 . . . rr_2mu7 1
33 1 2 . OR rr_2mu7 1
33 2 . 3 . rr_2mu7 1
33 3 . . . rr_2mu7 1
34 1 2 . OR rr_2mu7 1
34 2 . 3 . rr_2mu7 1
34 3 . . . rr_2mu7 1
35 1 2 . OR rr_2mu7 1
35 2 . 3 . rr_2mu7 1
35 3 . . . rr_2mu7 1
36 1 . . . rr_2mu7 1
37 1 . . . rr_2mu7 1
38 1 . . . rr_2mu7 1
39 1 . . . rr_2mu7 1
40 1 . . . rr_2mu7 1
41 1 2 . OR rr_2mu7 1
41 2 . 3 . rr_2mu7 1
41 3 . . . rr_2mu7 1
42 1 . . . rr_2mu7 1
43 1 . . . rr_2mu7 1
44 1 . . . rr_2mu7 1
45 1 . . . rr_2mu7 1
46 1 . . . rr_2mu7 1
47 1 . . . rr_2mu7 1
48 1 . . . rr_2mu7 1
49 1 . . . rr_2mu7 1
50 1 . . . rr_2mu7 1
51 1 . . . rr_2mu7 1
52 1 . . . rr_2mu7 1
53 1 . . . rr_2mu7 1
54 1 . . . rr_2mu7 1
55 1 2 . OR rr_2mu7 1
55 2 . 3 . rr_2mu7 1
55 3 . . . rr_2mu7 1
56 1 . . . rr_2mu7 1
57 1 . . . rr_2mu7 1
58 1 . . . rr_2mu7 1
59 1 . . . rr_2mu7 1
60 1 2 . OR rr_2mu7 1
60 2 . 3 . rr_2mu7 1
60 3 . . . rr_2mu7 1
61 1 . . . rr_2mu7 1
62 1 . . . rr_2mu7 1
63 1 2 . OR rr_2mu7 1
63 2 . 3 . rr_2mu7 1
63 3 . . . rr_2mu7 1
64 1 . . . rr_2mu7 1
65 1 2 . OR rr_2mu7 1
65 2 . 3 . rr_2mu7 1
65 3 . . . rr_2mu7 1
66 1 . . . rr_2mu7 1
67 1 . . . rr_2mu7 1
68 1 . . . rr_2mu7 1
69 1 . . . rr_2mu7 1
70 1 . . . rr_2mu7 1
71 1 . . . rr_2mu7 1
72 1 . . . rr_2mu7 1
73 1 . . . rr_2mu7 1
74 1 . . . rr_2mu7 1
75 1 . . . rr_2mu7 1
76 1 . . . rr_2mu7 1
77 1 . . . rr_2mu7 1
78 1 . . . rr_2mu7 1
79 1 . . . rr_2mu7 1
80 1 . . . rr_2mu7 1
81 1 . . . rr_2mu7 1
82 1 2 . OR rr_2mu7 1
82 2 . 3 . rr_2mu7 1
82 3 . . . rr_2mu7 1
83 1 2 . OR rr_2mu7 1
83 2 . 3 . rr_2mu7 1
83 3 . . . rr_2mu7 1
84 1 . . . rr_2mu7 1
85 1 . . . rr_2mu7 1
86 1 . . . rr_2mu7 1
87 1 . . . rr_2mu7 1
88 1 . . . rr_2mu7 1
89 1 . . . rr_2mu7 1
90 1 . . . rr_2mu7 1
91 1 . . . rr_2mu7 1
92 1 . . . rr_2mu7 1
93 1 . . . rr_2mu7 1
94 1 . . . rr_2mu7 1
95 1 . . . rr_2mu7 1
96 1 . . . rr_2mu7 1
97 1 . . . rr_2mu7 1
98 1 . . . rr_2mu7 1
99 1 . . . rr_2mu7 1
100 1 . . . rr_2mu7 1
101 1 . . . rr_2mu7 1
102 1 . . . rr_2mu7 1
103 1 . . . rr_2mu7 1
104 1 . . . rr_2mu7 1
105 1 . . . rr_2mu7 1
106 1 2 . OR rr_2mu7 1
106 2 . 3 . rr_2mu7 1
106 3 . . . rr_2mu7 1
107 1 . . . rr_2mu7 1
108 1 . . . rr_2mu7 1
109 1 . . . rr_2mu7 1
110 1 . . . rr_2mu7 1
111 1 . . . rr_2mu7 1
112 1 . . . rr_2mu7 1
113 1 . . . rr_2mu7 1
114 1 2 . OR rr_2mu7 1
114 2 . 3 . rr_2mu7 1
114 3 . . . rr_2mu7 1
115 1 2 . OR rr_2mu7 1
115 2 . 3 . rr_2mu7 1
115 3 . . . rr_2mu7 1
116 1 . . . rr_2mu7 1
117 1 . . . rr_2mu7 1
118 1 . . . rr_2mu7 1
119 1 . . . rr_2mu7 1
120 1 . . . rr_2mu7 1
121 1 . . . rr_2mu7 1
122 1 . . . rr_2mu7 1
123 1 . . . rr_2mu7 1
124 1 . . . rr_2mu7 1
125 1 . . . rr_2mu7 1
126 1 . . . rr_2mu7 1
127 1 . . . rr_2mu7 1
128 1 . . . rr_2mu7 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 5 5 PHE H H . . 1 . 5 PHE HN rr_2mu7 1
1 1 . 2 . 1 1 5 5 PHE HA H . . 1 . 5 PHE HA rr_2mu7 1
2 1 . 1 . 1 1 2 2 TYR H H . . 1 . 2 TYR HN rr_2mu7 1
2 1 . 2 . 1 1 1 1 GLY HA3 H . . 1 . 1 GLY HAS rr_2mu7 1
3 1 . 1 . 1 1 11 11 VAL H H . . 1 . 11 VAL HN rr_2mu7 1
3 1 . 2 . 1 1 11 11 VAL HA H . . 1 . 11 VAL HA rr_2mu7 1
4 1 . 1 . 1 1 4 4 LEU H H . . 1 . 4 LEU HN rr_2mu7 1
4 1 . 2 . 1 1 3 3 SER HA H . . 1 . 3 SER HA rr_2mu7 1
5 1 . 1 . 1 1 19 19 THR H H . . 1 . 19 THR HN rr_2mu7 1
5 1 . 2 . 1 1 19 19 THR HA H . . 1 . 19 THR HA rr_2mu7 1
6 1 . 1 . 1 1 3 3 SER H H . . 1 . 3 SER HN rr_2mu7 1
6 1 . 2 . 1 1 3 3 SER HA H . . 1 . 3 SER HA rr_2mu7 1
7 2 . 1 . 1 1 18 18 GLY H H . . 1 . 18 GLY HN rr_2mu7 1
7 2 . 2 . 1 1 18 18 GLY HA2 H . . 1 . 18 GLY HA* rr_2mu7 1
7 3 . 1 . 1 1 18 18 GLY H H . . 1 . 18 GLY HN rr_2mu7 1
7 3 . 2 . 1 1 18 18 GLY HA3 H . . 1 . 18 GLY HA* rr_2mu7 1
8 2 . 1 . 1 1 3 3 SER H H . . 1 . 3 SER HN rr_2mu7 1
8 2 . 2 . 1 1 3 3 SER HB2 H . . 1 . 3 SER HB* rr_2mu7 1
8 3 . 1 . 1 1 3 3 SER H H . . 1 . 3 SER HN rr_2mu7 1
8 3 . 2 . 1 1 3 3 SER HB3 H . . 1 . 3 SER HB* rr_2mu7 1
9 1 . 1 . 1 1 8 8 GLU H H . . 1 . 8 GLU- HN rr_2mu7 1
9 1 . 2 . 1 1 8 8 GLU HA H . . 1 . 8 GLU- HA rr_2mu7 1
10 1 . 1 . 1 1 8 8 GLU H H . . 1 . 8 GLU- HN rr_2mu7 1
10 1 . 2 . 1 1 8 8 GLU HB2 H . . 1 . 8 GLU- HBR rr_2mu7 1
11 1 . 1 . 1 1 15 15 GLY H H . . 1 . 15 GLY HN rr_2mu7 1
11 1 . 2 . 1 1 14 14 GLU HA H . . 1 . 14 GLU- HA rr_2mu7 1
12 1 . 1 . 1 1 17 17 SER H H . . 1 . 17 SER HN rr_2mu7 1
12 1 . 2 . 1 1 13 13 ASN HA H . . 1 . 13 ASN HA rr_2mu7 1
13 1 . 1 . 1 1 17 17 SER H H . . 1 . 17 SER HN rr_2mu7 1
13 1 . 2 . 1 1 17 17 SER HA H . . 1 . 17 SER HA rr_2mu7 1
14 1 . 1 . 1 1 17 17 SER H H . . 1 . 17 SER HN rr_2mu7 1
14 1 . 2 . 1 1 16 16 THR HA H . . 1 . 16 THR HA rr_2mu7 1
15 1 . 1 . 1 1 14 14 GLU H H . . 1 . 14 GLU- HN rr_2mu7 1
15 1 . 2 . 1 1 13 13 ASN HA H . . 1 . 13 ASN HA rr_2mu7 1
16 1 . 1 . 1 1 13 13 ASN H H . . 1 . 13 ASN HN rr_2mu7 1
16 1 . 2 . 1 1 13 13 ASN HA H . . 1 . 13 ASN HA rr_2mu7 1
17 1 . 1 . 1 1 14 14 GLU H H . . 1 . 14 GLU- HN rr_2mu7 1
17 1 . 2 . 1 1 14 14 GLU HA H . . 1 . 14 GLU- HA rr_2mu7 1
18 1 . 1 . 1 1 16 16 THR H H . . 1 . 16 THR HN rr_2mu7 1
18 1 . 2 . 1 1 16 16 THR HA H . . 1 . 16 THR HA rr_2mu7 1
19 1 . 1 . 1 1 10 10 MET H H . . 1 . 10 MET HN rr_2mu7 1
19 1 . 2 . 1 1 10 10 MET HA H . . 1 . 10 MET HA rr_2mu7 1
20 1 . 1 . 1 1 4 4 LEU H H . . 1 . 4 LEU HN rr_2mu7 1
20 1 . 2 . 1 1 4 4 LEU HA H . . 1 . 4 LEU HA rr_2mu7 1
21 1 . 1 . 1 1 4 4 LEU H H . . 1 . 4 LEU HN rr_2mu7 1
21 1 . 2 . 1 1 7 7 LYS HA H . . 1 . 7 LYS+ HA rr_2mu7 1
22 1 . 1 . 1 1 10 10 MET H H . . 1 . 10 MET HN rr_2mu7 1
22 1 . 2 . 1 1 9 9 LYS HA H . . 1 . 9 LYS+ HA rr_2mu7 1
23 1 . 1 . 1 1 5 5 PHE H H . . 1 . 5 PHE HN rr_2mu7 1
23 1 . 2 . 1 1 4 4 LEU HA H . . 1 . 4 LEU HA rr_2mu7 1
24 1 . 1 . 1 1 7 7 LYS H H . . 1 . 7 LYS+ HN rr_2mu7 1
24 1 . 2 . 1 1 7 7 LYS HA H . . 1 . 7 LYS+ HA rr_2mu7 1
25 1 . 1 . 1 1 11 11 VAL H H . . 1 . 11 VAL HN rr_2mu7 1
25 1 . 2 . 1 1 9 9 LYS HA H . . 1 . 9 LYS+ HA rr_2mu7 1
26 1 . 1 . 1 1 11 11 VAL H H . . 1 . 11 VAL HN rr_2mu7 1
26 1 . 2 . 1 1 8 8 GLU HA H . . 1 . 8 GLU- HA rr_2mu7 1
27 1 . 1 . 1 1 2 2 TYR H H . . 1 . 2 TYR HN rr_2mu7 1
27 1 . 2 . 1 1 1 1 GLY HA2 H . . 1 . 1 GLY HAR rr_2mu7 1
28 1 . 1 . 1 1 6 6 GLN H H . . 1 . 6 GLN HN rr_2mu7 1
28 1 . 2 . 1 1 6 6 GLN HA H . . 1 . 6 GLN HA rr_2mu7 1
29 1 . 1 . 1 1 9 9 LYS H H . . 1 . 9 LYS+ HN rr_2mu7 1
29 1 . 2 . 1 1 9 9 LYS HA H . . 1 . 9 LYS+ HA rr_2mu7 1
30 1 . 1 . 1 1 12 12 LEU H H . . 1 . 12 LEU HN rr_2mu7 1
30 1 . 2 . 1 1 12 12 LEU HA H . . 1 . 12 LEU HA rr_2mu7 1
31 1 . 1 . 1 1 20 20 ALA H H . . 1 . 20 ALA HN rr_2mu7 1
31 1 . 2 . 1 1 20 20 ALA HA H . . 1 . 20 ALA HA rr_2mu7 1
32 1 . 1 . 1 1 9 9 LYS H H . . 1 . 9 LYS+ HN rr_2mu7 1
32 1 . 2 . 1 1 8 8 GLU HA H . . 1 . 8 GLU- HA rr_2mu7 1
33 2 . 1 . 1 1 16 16 THR H H . . 1 . 16 THR HN rr_2mu7 1
33 2 . 2 . 1 1 15 15 GLY HA2 H . . 1 . 15 GLY HA* rr_2mu7 1
33 3 . 1 . 1 1 16 16 THR H H . . 1 . 16 THR HN rr_2mu7 1
33 3 . 2 . 1 1 15 15 GLY HA3 H . . 1 . 15 GLY HA* rr_2mu7 1
34 2 . 1 . 1 1 19 19 THR H H . . 1 . 19 THR HN rr_2mu7 1
34 2 . 2 . 1 1 18 18 GLY HA2 H . . 1 . 18 GLY HA* rr_2mu7 1
34 3 . 1 . 1 1 19 19 THR H H . . 1 . 19 THR HN rr_2mu7 1
34 3 . 2 . 1 1 18 18 GLY HA3 H . . 1 . 18 GLY HA* rr_2mu7 1
35 2 . 1 . 1 1 17 17 SER H H . . 1 . 17 SER HN rr_2mu7 1
35 2 . 2 . 1 1 17 17 SER HB2 H . . 1 . 17 SER HB* rr_2mu7 1
35 3 . 1 . 1 1 17 17 SER H H . . 1 . 17 SER HN rr_2mu7 1
35 3 . 2 . 1 1 17 17 SER HB3 H . . 1 . 17 SER HB* rr_2mu7 1
36 1 . 1 . 1 1 2 2 TYR H H . . 1 . 2 TYR HN rr_2mu7 1
36 1 . 2 . 1 1 2 2 TYR HA H . . 1 . 2 TYR HA rr_2mu7 1
37 1 . 1 . 1 1 5 5 PHE H H . . 1 . 5 PHE HN rr_2mu7 1
37 1 . 2 . 1 1 2 2 TYR HA H . . 1 . 2 TYR HA rr_2mu7 1
38 1 . 1 . 1 1 7 7 LYS H H . . 1 . 7 LYS+ HN rr_2mu7 1
38 1 . 2 . 1 1 4 4 LEU HA H . . 1 . 4 LEU HA rr_2mu7 1
39 1 . 1 . 1 1 12 12 LEU H H . . 1 . 12 LEU HN rr_2mu7 1
39 1 . 2 . 1 1 11 11 VAL HA H . . 1 . 11 VAL HA rr_2mu7 1
40 1 . 1 . 1 1 7 7 LYS H H . . 1 . 7 LYS+ HN rr_2mu7 1
40 1 . 2 . 1 1 6 6 GLN HA H . . 1 . 6 GLN HA rr_2mu7 1
41 2 . 1 . 1 1 4 4 LEU H H . . 1 . 4 LEU HN rr_2mu7 1
41 2 . 2 . 1 1 3 3 SER HB2 H . . 1 . 3 SER HB* rr_2mu7 1
41 3 . 1 . 1 1 4 4 LEU H H . . 1 . 4 LEU HN rr_2mu7 1
41 3 . 2 . 1 1 3 3 SER HB3 H . . 1 . 3 SER HB* rr_2mu7 1
42 1 . 1 . 1 1 8 8 GLU H H . . 1 . 8 GLU- HN rr_2mu7 1
42 1 . 2 . 1 1 4 4 LEU HA H . . 1 . 4 LEU HA rr_2mu7 1
43 1 . 1 . 1 1 15 15 GLY H H . . 1 . 15 GLY HN rr_2mu7 1
43 1 . 2 . 1 1 12 12 LEU HA H . . 1 . 12 LEU HA rr_2mu7 1
44 1 . 1 . 1 1 8 8 GLU H H . . 1 . 8 GLU- HN rr_2mu7 1
44 1 . 2 . 1 1 5 5 PHE HA H . . 1 . 5 PHE HA rr_2mu7 1
45 1 . 1 . 1 1 3 3 SER H H . . 1 . 3 SER HN rr_2mu7 1
45 1 . 2 . 1 1 2 2 TYR HB3 H . . 1 . 2 TYR HBS rr_2mu7 1
46 1 . 1 . 1 1 3 3 SER H H . . 1 . 3 SER HN rr_2mu7 1
46 1 . 2 . 1 1 2 2 TYR HB2 H . . 1 . 2 TYR HBR rr_2mu7 1
47 1 . 1 . 1 1 5 5 PHE H H . . 1 . 5 PHE HN rr_2mu7 1
47 1 . 2 . 1 1 5 5 PHE HB3 H . . 1 . 5 PHE HBS rr_2mu7 1
48 1 . 1 . 1 1 5 5 PHE H H . . 1 . 5 PHE HN rr_2mu7 1
48 1 . 2 . 1 1 5 5 PHE HB2 H . . 1 . 5 PHE HBR rr_2mu7 1
49 1 . 1 . 1 1 6 6 GLN H H . . 1 . 6 GLN HN rr_2mu7 1
49 1 . 2 . 1 1 5 5 PHE HB2 H . . 1 . 5 PHE HBR rr_2mu7 1
50 1 . 1 . 1 1 2 2 TYR H H . . 1 . 2 TYR HN rr_2mu7 1
50 1 . 2 . 1 1 2 2 TYR HB2 H . . 1 . 2 TYR HBR rr_2mu7 1
51 1 . 1 . 1 1 2 2 TYR H H . . 1 . 2 TYR HN rr_2mu7 1
51 1 . 2 . 1 1 2 2 TYR HB3 H . . 1 . 2 TYR HBS rr_2mu7 1
52 1 . 1 . 1 1 13 13 ASN H H . . 1 . 13 ASN HN rr_2mu7 1
52 1 . 2 . 1 1 13 13 ASN HB3 H . . 1 . 13 ASN HBR rr_2mu7 1
53 1 . 1 . 1 1 14 14 GLU H H . . 1 . 14 GLU- HN rr_2mu7 1
53 1 . 2 . 1 1 13 13 ASN HB3 H . . 1 . 13 ASN HBR rr_2mu7 1
54 1 . 1 . 1 1 13 13 ASN H H . . 1 . 13 ASN HN rr_2mu7 1
54 1 . 2 . 1 1 13 13 ASN HB2 H . . 1 . 13 ASN HBS rr_2mu7 1
55 2 . 1 . 1 1 14 14 GLU H H . . 1 . 14 GLU- HN rr_2mu7 1
55 2 . 2 . 1 1 14 14 GLU HB2 H . . 1 . 14 GLU HB* rr_2mu7 1
55 3 . 1 . 1 1 14 14 GLU H H . . 1 . 14 GLU- HN rr_2mu7 1
55 3 . 2 . 1 1 14 14 GLU HB3 H . . 1 . 14 GLU HB* rr_2mu7 1
56 1 . 1 . 1 1 8 8 GLU H H . . 1 . 8 GLU- HN rr_2mu7 1
56 1 . 2 . 1 1 8 8 GLU HG2 H . . 1 . 8 GLU- HGS rr_2mu7 1
57 1 . 1 . 1 1 8 8 GLU H H . . 1 . 8 GLU- HN rr_2mu7 1
57 1 . 2 . 1 1 8 8 GLU HG3 H . . 1 . 8 GLU- HGR rr_2mu7 1
58 1 . 1 . 1 1 14 14 GLU H H . . 1 . 14 GLU- HN rr_2mu7 1
58 1 . 2 . 1 1 14 14 GLU HG3 H . . 1 . 14 GLU- HGR rr_2mu7 1
59 1 . 1 . 1 1 14 14 GLU H H . . 1 . 14 GLU- HN rr_2mu7 1
59 1 . 2 . 1 1 14 14 GLU HG2 H . . 1 . 14 GLU- HGS rr_2mu7 1
60 2 . 1 . 1 1 6 6 GLN H H . . 1 . 6 GLN HN rr_2mu7 1
60 2 . 2 . 1 1 6 6 GLN HG2 H . . 1 . 6 GLN HG* rr_2mu7 1
60 3 . 1 . 1 1 6 6 GLN H H . . 1 . 6 GLN HN rr_2mu7 1
60 3 . 2 . 1 1 6 6 GLN HG3 H . . 1 . 6 GLN HG* rr_2mu7 1
61 1 . 1 . 1 1 11 11 VAL H H . . 1 . 11 VAL HN rr_2mu7 1
61 1 . 2 . 1 1 11 11 VAL HB H . . 1 . 11 VAL HB rr_2mu7 1
62 1 . 1 . 1 1 6 6 GLN H H . . 1 . 6 GLN HN rr_2mu7 1
62 1 . 2 . 1 1 6 6 GLN HB2 H . . 1 . 6 GLN HBR rr_2mu7 1
63 2 . 1 . 1 1 9 9 LYS H H . . 1 . 9 LYS+ HN rr_2mu7 1
63 2 . 2 . 1 1 10 10 MET HB2 H . . 1 . 10 MET HB* rr_2mu7 1
63 3 . 1 . 1 1 9 9 LYS H H . . 1 . 9 LYS+ HN rr_2mu7 1
63 3 . 2 . 1 1 10 10 MET HB3 H . . 1 . 10 MET HB* rr_2mu7 1
64 1 . 1 . 1 1 7 7 LYS H H . . 1 . 7 LYS+ HN rr_2mu7 1
64 1 . 2 . 1 1 6 6 GLN HB2 H . . 1 . 6 GLN HBR rr_2mu7 1
65 2 . 1 . 1 1 10 10 MET H H . . 1 . 10 MET HN rr_2mu7 1
65 2 . 2 . 1 1 10 10 MET HB2 H . . 1 . 10 MET HB* rr_2mu7 1
65 3 . 1 . 1 1 10 10 MET H H . . 1 . 10 MET HN rr_2mu7 1
65 3 . 2 . 1 1 10 10 MET HB3 H . . 1 . 10 MET HB* rr_2mu7 1
66 1 . 1 . 1 1 8 8 GLU H H . . 1 . 8 GLU- HN rr_2mu7 1
66 1 . 2 . 1 1 8 8 GLU HB3 H . . 1 . 8 GLU- HBS rr_2mu7 1
67 1 . 1 . 1 1 8 8 GLU H H . . 1 . 8 GLU- HN rr_2mu7 1
67 1 . 2 . 1 1 7 7 LYS HB3 H . . 1 . 7 LYS+ HBS rr_2mu7 1
68 1 . 1 . 1 1 6 6 GLN H H . . 1 . 6 GLN HN rr_2mu7 1
68 1 . 2 . 1 1 6 6 GLN HB3 H . . 1 . 6 GLN HBS rr_2mu7 1
69 1 . 1 . 1 1 9 9 LYS H H . . 1 . 9 LYS+ HN rr_2mu7 1
69 1 . 2 . 1 1 9 9 LYS HB2 H . . 1 . 9 LYS+ HBR rr_2mu7 1
70 1 . 1 . 1 1 7 7 LYS H H . . 1 . 7 LYS+ HN rr_2mu7 1
70 1 . 2 . 1 1 7 7 LYS HB2 H . . 1 . 7 LYS+ HBR rr_2mu7 1
71 1 . 1 . 1 1 7 7 LYS H H . . 1 . 7 LYS+ HN rr_2mu7 1
71 1 . 2 . 1 1 7 7 LYS HB3 H . . 1 . 7 LYS+ HBS rr_2mu7 1
72 1 . 1 . 1 1 12 12 LEU H H . . 1 . 12 LEU HN rr_2mu7 1
72 1 . 2 . 1 1 12 12 LEU HB2 H . . 1 . 12 LEU HBR rr_2mu7 1
73 1 . 1 . 1 1 13 13 ASN H H . . 1 . 13 ASN HN rr_2mu7 1
73 1 . 2 . 1 1 12 12 LEU HB2 H . . 1 . 12 LEU HBR rr_2mu7 1
74 1 . 1 . 1 1 9 9 LYS H H . . 1 . 9 LYS+ HN rr_2mu7 1
74 1 . 2 . 1 1 9 9 LYS HB3 H . . 1 . 9 LYS+ HBS rr_2mu7 1
75 1 . 1 . 1 1 10 10 MET H H . . 1 . 10 MET HN rr_2mu7 1
75 1 . 2 . 1 1 9 9 LYS HB3 H . . 1 . 9 LYS+ HBS rr_2mu7 1
76 1 . 1 . 1 1 12 12 LEU H H . . 1 . 12 LEU HN rr_2mu7 1
76 1 . 2 . 1 1 12 12 LEU HB3 H . . 1 . 12 LEU HBS rr_2mu7 1
77 1 . 1 . 1 1 13 13 ASN H H . . 1 . 13 ASN HN rr_2mu7 1
77 1 . 2 . 1 1 12 12 LEU HB3 H . . 1 . 12 LEU HBS rr_2mu7 1
78 1 . 1 . 1 1 4 4 LEU H H . . 1 . 4 LEU HN rr_2mu7 1
78 1 . 2 . 1 1 4 4 LEU HB3 H . . 1 . 4 LEU HBS rr_2mu7 1
79 1 . 1 . 1 1 4 4 LEU H H . . 1 . 4 LEU HN rr_2mu7 1
79 1 . 2 . 1 1 4 4 LEU HB2 H . . 1 . 4 LEU HBR rr_2mu7 1
80 1 . 1 . 1 1 5 5 PHE H H . . 1 . 5 PHE HN rr_2mu7 1
80 1 . 2 . 1 1 4 4 LEU HB2 H . . 1 . 4 LEU HBR rr_2mu7 1
81 1 . 1 . 1 1 5 5 PHE H H . . 1 . 5 PHE HN rr_2mu7 1
81 1 . 2 . 1 1 4 4 LEU HB3 H . . 1 . 4 LEU HBS rr_2mu7 1
82 2 . 1 . 1 1 7 7 LYS H H . . 1 . 7 LYS+ HN rr_2mu7 1
82 2 . 2 . 1 1 7 7 LYS HG2 H . . 1 . 7 LYS HG* rr_2mu7 1
82 3 . 1 . 1 1 7 7 LYS H H . . 1 . 7 LYS+ HN rr_2mu7 1
82 3 . 2 . 1 1 7 7 LYS HG3 H . . 1 . 7 LYS HG* rr_2mu7 1
83 2 . 1 . 1 1 16 16 THR H H . . 1 . 16 THR HN rr_2mu7 1
83 2 . 2 . 1 1 16 16 THR MG H . . 1 . 16 THR HG* rr_2mu7 1
83 3 . 1 . 1 1 16 16 THR H H . . 1 . 16 THR HN rr_2mu7 1
83 3 . 2 . 1 1 16 16 THR HG1 H . . 1 . 16 THR HG* rr_2mu7 1
84 1 . 1 . 1 1 12 12 LEU H H . . 1 . 12 LEU HN rr_2mu7 1
84 1 . 2 . 1 1 11 11 VAL MG1 H . . 1 . 11 VAL HGR* rr_2mu7 1
85 1 . 1 . 1 1 2 2 TYR QD H . . 1 . 2 TYR HD* rr_2mu7 1
85 1 . 2 . 1 1 2 2 TYR HB2 H . . 1 . 2 TYR HBR rr_2mu7 1
86 1 . 1 . 1 1 2 2 TYR QD H . . 1 . 2 TYR HD* rr_2mu7 1
86 1 . 2 . 1 1 2 2 TYR HB3 H . . 1 . 2 TYR HBS rr_2mu7 1
87 1 . 1 . 1 1 5 5 PHE QD H . . 1 . 5 PHE HD* rr_2mu7 1
87 1 . 2 . 1 1 5 5 PHE HB3 H . . 1 . 5 PHE HBS rr_2mu7 1
88 1 . 1 . 1 1 5 5 PHE QD H . . 1 . 5 PHE HD* rr_2mu7 1
88 1 . 2 . 1 1 5 5 PHE HB2 H . . 1 . 5 PHE HBR rr_2mu7 1
89 1 . 1 . 1 1 5 5 PHE H H . . 1 . 5 PHE HN rr_2mu7 1
89 1 . 2 . 1 1 6 6 GLN H H . . 1 . 6 GLN HN rr_2mu7 1
90 1 . 1 . 1 1 10 10 MET H H . . 1 . 10 MET HN rr_2mu7 1
90 1 . 2 . 1 1 9 9 LYS H H . . 1 . 9 LYS+ HN rr_2mu7 1
91 1 . 1 . 1 1 10 10 MET H H . . 1 . 10 MET HN rr_2mu7 1
91 1 . 2 . 1 1 11 11 VAL H H . . 1 . 11 VAL HN rr_2mu7 1
92 1 . 1 . 1 1 7 7 LYS H H . . 1 . 7 LYS+ HN rr_2mu7 1
92 1 . 2 . 1 1 6 6 GLN H H . . 1 . 6 GLN HN rr_2mu7 1
93 1 . 1 . 1 1 4 4 LEU H H . . 1 . 4 LEU HN rr_2mu7 1
93 1 . 2 . 1 1 3 3 SER H H . . 1 . 3 SER HN rr_2mu7 1
94 1 . 1 . 1 1 7 7 LYS H H . . 1 . 7 LYS+ HN rr_2mu7 1
94 1 . 2 . 1 1 8 8 GLU H H . . 1 . 8 GLU- HN rr_2mu7 1
95 1 . 1 . 1 1 16 16 THR H H . . 1 . 16 THR HN rr_2mu7 1
95 1 . 2 . 1 1 15 15 GLY H H . . 1 . 15 GLY HN rr_2mu7 1
96 1 . 1 . 1 1 16 16 THR H H . . 1 . 16 THR HN rr_2mu7 1
96 1 . 2 . 1 1 17 17 SER H H . . 1 . 17 SER HN rr_2mu7 1
97 1 . 1 . 1 1 19 19 THR H H . . 1 . 19 THR HN rr_2mu7 1
97 1 . 2 . 1 1 18 18 GLY H H . . 1 . 18 GLY HN rr_2mu7 1
98 1 . 1 . 1 1 2 2 TYR H H . . 1 . 2 TYR HN rr_2mu7 1
98 1 . 2 . 1 1 3 3 SER H H . . 1 . 3 SER HN rr_2mu7 1
99 1 . 1 . 1 1 14 14 GLU H H . . 1 . 14 GLU- HN rr_2mu7 1
99 1 . 2 . 1 1 15 15 GLY H H . . 1 . 15 GLY HN rr_2mu7 1
100 1 . 1 . 1 1 17 17 SER H H . . 1 . 17 SER HN rr_2mu7 1
100 1 . 2 . 1 1 18 18 GLY H H . . 1 . 18 GLY HN rr_2mu7 1
101 1 . 1 . 1 1 5 5 PHE QD H . . 1 . 5 PHE HD* rr_2mu7 1
101 1 . 2 . 1 1 5 5 PHE QE H . . 1 . 5 PHE HE* rr_2mu7 1
102 1 . 1 . 1 1 2 2 TYR QD H . . 1 . 2 TYR HD* rr_2mu7 1
102 1 . 2 . 1 1 2 2 TYR QE H . . 1 . 2 TYR HE* rr_2mu7 1
103 1 . 1 . 1 1 13 13 ASN HD21 H . . 1 . 13 ASN HD21 rr_2mu7 1
103 1 . 2 . 1 1 13 13 ASN HD22 H . . 1 . 13 ASN HD22 rr_2mu7 1
104 1 . 1 . 1 1 6 6 GLN HE21 H . . 1 . 6 GLN HE21 rr_2mu7 1
104 1 . 2 . 1 1 6 6 GLN HE22 H . . 1 . 6 GLN HE22 rr_2mu7 1
105 1 . 1 . 1 1 5 5 PHE HB3 H . . 1 . 5 PHE HBS rr_2mu7 1
105 1 . 2 . 1 1 5 5 PHE HA H . . 1 . 5 PHE HA rr_2mu7 1
106 2 . 1 . 1 1 3 3 SER HB2 H . . 1 . 3 SER HB* rr_2mu7 1
106 2 . 2 . 1 1 3 3 SER HA H . . 1 . 3 SER HA rr_2mu7 1
106 3 . 1 . 1 1 3 3 SER HB3 H . . 1 . 3 SER HB* rr_2mu7 1
106 3 . 2 . 1 1 3 3 SER HA H . . 1 . 3 SER HA rr_2mu7 1
107 1 . 1 . 1 1 5 5 PHE HB2 H . . 1 . 5 PHE HBR rr_2mu7 1
107 1 . 2 . 1 1 5 5 PHE HA H . . 1 . 5 PHE HA rr_2mu7 1
108 1 . 1 . 1 1 5 5 PHE HB2 H . . 1 . 5 PHE HBR rr_2mu7 1
108 1 . 2 . 1 1 2 2 TYR HA H . . 1 . 2 TYR HA rr_2mu7 1
109 1 . 1 . 1 1 2 2 TYR HB3 H . . 1 . 2 TYR HBS rr_2mu7 1
109 1 . 2 . 1 1 2 2 TYR HA H . . 1 . 2 TYR HA rr_2mu7 1
110 1 . 1 . 1 1 2 2 TYR HB2 H . . 1 . 2 TYR HBR rr_2mu7 1
110 1 . 2 . 1 1 2 2 TYR HA H . . 1 . 2 TYR HA rr_2mu7 1
111 1 . 1 . 1 1 13 13 ASN HB3 H . . 1 . 13 ASN HBR rr_2mu7 1
111 1 . 2 . 1 1 13 13 ASN HA H . . 1 . 13 ASN HA rr_2mu7 1
112 1 . 1 . 1 1 13 13 ASN HB3 H . . 1 . 13 ASN HBR rr_2mu7 1
112 1 . 2 . 1 1 10 10 MET HA H . . 1 . 10 MET HA rr_2mu7 1
113 1 . 1 . 1 1 8 8 GLU HB2 H . . 1 . 8 GLU- HBR rr_2mu7 1
113 1 . 2 . 1 1 5 5 PHE HA H . . 1 . 5 PHE HA rr_2mu7 1
114 2 . 1 . 1 1 14 14 GLU HB2 H . . 1 . 14 GLU HB* rr_2mu7 1
114 2 . 2 . 1 1 14 14 GLU HA H . . 1 . 14 GLU- HA rr_2mu7 1
114 3 . 1 . 1 1 14 14 GLU HB3 H . . 1 . 14 GLU HB* rr_2mu7 1
114 3 . 2 . 1 1 14 14 GLU HA H . . 1 . 14 GLU- HA rr_2mu7 1
115 2 . 1 . 1 1 10 10 MET HB2 H . . 1 . 10 MET HB* rr_2mu7 1
115 2 . 2 . 1 1 10 10 MET HA H . . 1 . 10 MET HA rr_2mu7 1
115 3 . 1 . 1 1 10 10 MET HB3 H . . 1 . 10 MET HB* rr_2mu7 1
115 3 . 2 . 1 1 10 10 MET HA H . . 1 . 10 MET HA rr_2mu7 1
116 1 . 1 . 1 1 8 8 GLU HB2 H . . 1 . 8 GLU- HBR rr_2mu7 1
116 1 . 2 . 1 1 8 8 GLU HA H . . 1 . 8 GLU- HA rr_2mu7 1
117 1 . 1 . 1 1 6 6 GLN HB2 H . . 1 . 6 GLN HBR rr_2mu7 1
117 1 . 2 . 1 1 6 6 GLN HA H . . 1 . 6 GLN HA rr_2mu7 1
118 1 . 1 . 1 1 6 6 GLN HB3 H . . 1 . 6 GLN HBS rr_2mu7 1
118 1 . 2 . 1 1 6 6 GLN HA H . . 1 . 6 GLN HA rr_2mu7 1
119 1 . 1 . 1 1 11 11 VAL HB H . . 1 . 11 VAL HB rr_2mu7 1
119 1 . 2 . 1 1 11 11 VAL HA H . . 1 . 11 VAL HA rr_2mu7 1
120 1 . 1 . 1 1 7 7 LYS HB3 H . . 1 . 7 LYS+ HBS rr_2mu7 1
120 1 . 2 . 1 1 4 4 LEU HA H . . 1 . 4 LEU HA rr_2mu7 1
121 1 . 1 . 1 1 7 7 LYS HB3 H . . 1 . 7 LYS+ HBS rr_2mu7 1
121 1 . 2 . 1 1 7 7 LYS HA H . . 1 . 7 LYS+ HA rr_2mu7 1
122 1 . 1 . 1 1 9 9 LYS HB3 H . . 1 . 9 LYS+ HBS rr_2mu7 1
122 1 . 2 . 1 1 9 9 LYS HA H . . 1 . 9 LYS+ HA rr_2mu7 1
123 1 . 1 . 1 1 12 12 LEU HB2 H . . 1 . 12 LEU HBR rr_2mu7 1
123 1 . 2 . 1 1 12 12 LEU HA H . . 1 . 12 LEU HA rr_2mu7 1
124 1 . 1 . 1 1 4 4 LEU HB2 H . . 1 . 4 LEU HBR rr_2mu7 1
124 1 . 2 . 1 1 4 4 LEU HA H . . 1 . 4 LEU HA rr_2mu7 1
125 1 . 1 . 1 1 4 4 LEU HB3 H . . 1 . 4 LEU HBS rr_2mu7 1
125 1 . 2 . 1 1 4 4 LEU HA H . . 1 . 4 LEU HA rr_2mu7 1
126 1 . 1 . 1 1 12 12 LEU HB3 H . . 1 . 12 LEU HBS rr_2mu7 1
126 1 . 2 . 1 1 12 12 LEU HA H . . 1 . 12 LEU HA rr_2mu7 1
127 1 . 1 . 1 1 8 8 GLU HG3 H . . 1 . 8 GLU- HGR rr_2mu7 1
127 1 . 2 . 1 1 8 8 GLU HG2 H . . 1 . 8 GLU- HGS rr_2mu7 1
128 1 . 1 . 1 1 12 12 LEU H H . . 1 . 12 LEU HN rr_2mu7 1
128 1 . 2 . 1 1 8 8 GLU HA H . . 1 . 8 GLU- HA rr_2mu7 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Spectral_peak_list_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . 2.7 1.8 2.7 rr_2mu7 1
2 1 . . . . . . 3.5 2.7 3.5 rr_2mu7 1
3 1 . . . . . . 2.7 1.8 2.7 rr_2mu7 1
4 1 . . . . . . 2.7 1.8 2.7 rr_2mu7 1
5 1 . . . . . . 2.7 1.8 2.7 rr_2mu7 1
6 1 . . . . . . 2.7 1.8 2.7 rr_2mu7 1
7 2 . . . . . . 2.7 1.8 3.7 rr_2mu7 1
7 3 . . . . . . 2.7 1.8 3.7 rr_2mu7 1
8 2 . . . . . . 3.5 2.7 4.5 rr_2mu7 1
8 3 . . . . . . 3.5 2.7 4.5 rr_2mu7 1
9 1 . . . . . . 3.5 2.7 3.5 rr_2mu7 1
10 1 . . . . . . 2.7 1.8 2.7 rr_2mu7 1
11 1 . . . . . . 3.5 2.7 3.5 rr_2mu7 1
12 1 . . . . . . 5.0 3.5 5.0 rr_2mu7 1
13 1 . . . . . . 3.5 2.7 3.5 rr_2mu7 1
14 1 . . . . . . 3.5 2.7 3.5 rr_2mu7 1
15 1 . . . . . . 3.5 2.7 3.5 rr_2mu7 1
16 1 . . . . . . 2.7 1.8 2.7 rr_2mu7 1
17 1 . . . . . . 2.7 1.8 2.7 rr_2mu7 1
18 1 . . . . . . 3.5 2.7 3.5 rr_2mu7 1
19 1 . . . . . . 2.7 1.8 2.7 rr_2mu7 1
20 1 . . . . . . 3.5 2.7 3.5 rr_2mu7 1
21 1 . . . . . . 3.5 2.7 3.5 rr_2mu7 1
22 1 . . . . . . 3.5 2.7 3.5 rr_2mu7 1
23 1 . . . . . . 3.5 2.7 3.5 rr_2mu7 1
24 1 . . . . . . 3.5 2.7 3.5 rr_2mu7 1
25 1 . . . . . . 3.5 2.7 3.5 rr_2mu7 1
26 1 . . . . . . 3.5 2.7 3.5 rr_2mu7 1
27 1 . . . . . . 2.7 1.8 2.7 rr_2mu7 1
28 1 . . . . . . 3.5 2.7 3.5 rr_2mu7 1
29 1 . . . . . . 2.7 1.8 2.7 rr_2mu7 1
30 1 . . . . . . 2.7 1.8 2.7 rr_2mu7 1
31 1 . . . . . . 3.5 2.7 3.5 rr_2mu7 1
32 1 . . . . . . 5.0 3.5 5.0 rr_2mu7 1
33 2 . . . . . . 3.5 2.7 4.5 rr_2mu7 1
33 3 . . . . . . 3.5 2.7 4.5 rr_2mu7 1
34 2 . . . . . . 3.5 2.7 4.5 rr_2mu7 1
34 3 . . . . . . 3.5 2.7 4.5 rr_2mu7 1
35 2 . . . . . . 3.5 2.7 4.5 rr_2mu7 1
35 3 . . . . . . 3.5 2.7 4.5 rr_2mu7 1
36 1 . . . . . . 2.7 1.8 2.7 rr_2mu7 1
37 1 . . . . . . 5.0 3.5 5.0 rr_2mu7 1
38 1 . . . . . . 3.5 2.7 3.5 rr_2mu7 1
39 1 . . . . . . 3.5 2.7 3.5 rr_2mu7 1
40 1 . . . . . . 3.5 2.7 3.5 rr_2mu7 1
41 2 . . . . . . 3.5 2.7 4.5 rr_2mu7 1
41 3 . . . . . . 3.5 2.7 4.5 rr_2mu7 1
42 1 . . . . . . 5.0 3.5 5.0 rr_2mu7 1
43 1 . . . . . . 5.0 3.5 5.0 rr_2mu7 1
44 1 . . . . . . 5.0 3.5 5.0 rr_2mu7 1
45 1 . . . . . . 5.0 3.5 5.0 rr_2mu7 1
46 1 . . . . . . 5.0 3.5 5.0 rr_2mu7 1
47 1 . . . . . . 3.5 2.7 3.5 rr_2mu7 1
48 1 . . . . . . 3.5 2.7 3.5 rr_2mu7 1
49 1 . . . . . . 3.5 2.7 3.5 rr_2mu7 1
50 1 . . . . . . 3.5 2.7 3.5 rr_2mu7 1
51 1 . . . . . . 2.7 1.8 2.7 rr_2mu7 1
52 1 . . . . . . 2.7 1.8 2.7 rr_2mu7 1
53 1 . . . . . . 3.5 2.7 3.5 rr_2mu7 1
54 1 . . . . . . 3.5 2.7 3.5 rr_2mu7 1
55 2 . . . . . . 2.7 1.8 3.7 rr_2mu7 1
55 3 . . . . . . 2.7 1.8 3.7 rr_2mu7 1
56 1 . . . . . . 3.5 2.7 3.5 rr_2mu7 1
57 1 . . . . . . 3.5 2.7 3.5 rr_2mu7 1
58 1 . . . . . . 5.0 3.5 5.0 rr_2mu7 1
59 1 . . . . . . 3.5 2.7 3.5 rr_2mu7 1
60 2 . . . . . . 3.5 2.7 4.5 rr_2mu7 1
60 3 . . . . . . 3.5 2.7 4.5 rr_2mu7 1
61 1 . . . . . . 2.7 1.8 2.7 rr_2mu7 1
62 1 . . . . . . 2.7 1.8 2.7 rr_2mu7 1
63 2 . . . . . . 3.5 2.7 4.5 rr_2mu7 1
63 3 . . . . . . 3.5 2.7 4.5 rr_2mu7 1
64 1 . . . . . . 3.5 2.7 3.5 rr_2mu7 1
65 2 . . . . . . 2.7 1.8 3.7 rr_2mu7 1
65 3 . . . . . . 2.7 1.8 3.7 rr_2mu7 1
66 1 . . . . . . 2.7 1.8 2.7 rr_2mu7 1
67 1 . . . . . . 3.5 2.7 3.5 rr_2mu7 1
68 1 . . . . . . 2.7 1.8 2.7 rr_2mu7 1
69 1 . . . . . . 2.7 1.8 2.7 rr_2mu7 1
70 1 . . . . . . 3.5 2.7 3.5 rr_2mu7 1
71 1 . . . . . . 2.7 1.8 2.7 rr_2mu7 1
72 1 . . . . . . 2.7 1.8 2.7 rr_2mu7 1
73 1 . . . . . . 3.5 2.7 3.5 rr_2mu7 1
74 1 . . . . . . 2.7 1.8 2.7 rr_2mu7 1
75 1 . . . . . . 2.7 1.8 2.7 rr_2mu7 1
76 1 . . . . . . 3.5 2.7 3.5 rr_2mu7 1
77 1 . . . . . . 3.5 2.7 3.5 rr_2mu7 1
78 1 . . . . . . 2.7 1.8 2.7 rr_2mu7 1
79 1 . . . . . . 3.5 2.7 3.5 rr_2mu7 1
80 1 . . . . . . 3.5 2.7 3.5 rr_2mu7 1
81 1 . . . . . . 3.5 2.7 3.5 rr_2mu7 1
82 2 . . . . . . 3.5 2.7 4.5 rr_2mu7 1
82 3 . . . . . . 3.5 2.7 4.5 rr_2mu7 1
83 2 . . . . . . 3.5 2.7 3.5 rr_2mu7 1
83 3 . . . . . . 3.5 2.7 3.5 rr_2mu7 1
84 1 . . . . . . 3.5 2.7 4.5 rr_2mu7 1
85 1 . . . . . . 2.7 1.8 4.7 rr_2mu7 1
86 1 . . . . . . 2.7 1.8 4.7 rr_2mu7 1
87 1 . . . . . . 2.7 1.8 4.7 rr_2mu7 1
88 1 . . . . . . 2.7 1.8 4.7 rr_2mu7 1
89 1 . . . . . . 2.7 1.8 2.7 rr_2mu7 1
90 1 . . . . . . 3.5 2.7 3.5 rr_2mu7 1
91 1 . . . . . . 2.7 1.8 2.7 rr_2mu7 1
92 1 . . . . . . 3.5 2.7 3.5 rr_2mu7 1
93 1 . . . . . . 2.7 1.8 2.7 rr_2mu7 1
94 1 . . . . . . 2.7 1.8 2.7 rr_2mu7 1
95 1 . . . . . . 3.5 2.7 3.5 rr_2mu7 1
96 1 . . . . . . 3.5 2.7 3.5 rr_2mu7 1
97 1 . . . . . . 2.7 1.8 2.7 rr_2mu7 1
98 1 . . . . . . 3.5 2.7 3.5 rr_2mu7 1
99 1 . . . . . . 2.7 1.8 2.7 rr_2mu7 1
100 1 . . . . . . 3.5 2.7 3.5 rr_2mu7 1
101 1 . . . . . . 2.7 1.8 6.7 rr_2mu7 1
102 1 . . . . . . 2.7 1.8 6.7 rr_2mu7 1
103 1 . . . . . . 2.7 1.8 2.7 rr_2mu7 1
104 1 . . . . . . 2.7 1.8 2.7 rr_2mu7 1
105 1 . . . . . . 3.5 2.7 3.5 rr_2mu7 1
106 2 . . . . . . 3.5 2.7 4.5 rr_2mu7 1
106 3 . . . . . . 3.5 2.7 4.5 rr_2mu7 1
107 1 . . . . . . 3.5 2.7 3.5 rr_2mu7 1
108 1 . . . . . . 5.0 3.5 5.0 rr_2mu7 1
109 1 . . . . . . 3.5 2.7 3.5 rr_2mu7 1
110 1 . . . . . . 3.5 2.7 3.5 rr_2mu7 1
111 1 . . . . . . 3.5 2.7 3.5 rr_2mu7 1
112 1 . . . . . . 5.0 3.5 5.0 rr_2mu7 1
113 1 . . . . . . 5.0 3.5 5.0 rr_2mu7 1
114 2 . . . . . . 3.5 2.7 4.5 rr_2mu7 1
114 3 . . . . . . 3.5 2.7 4.5 rr_2mu7 1
115 2 . . . . . . 3.5 2.7 4.5 rr_2mu7 1
115 3 . . . . . . 3.5 2.7 4.5 rr_2mu7 1
116 1 . . . . . . 3.5 2.7 3.5 rr_2mu7 1
117 1 . . . . . . 3.5 2.7 3.5 rr_2mu7 1
118 1 . . . . . . 3.5 2.7 3.5 rr_2mu7 1
119 1 . . . . . . 3.5 2.7 3.5 rr_2mu7 1
120 1 . . . . . . 3.5 2.7 3.5 rr_2mu7 1
121 1 . . . . . . 2.7 1.8 2.7 rr_2mu7 1
122 1 . . . . . . 2.7 1.8 2.7 rr_2mu7 1
123 1 . . . . . . 3.5 2.7 3.5 rr_2mu7 1
124 1 . . . . . . 3.5 2.7 3.5 rr_2mu7 1
125 1 . . . . . . 2.7 1.8 2.7 rr_2mu7 1
126 1 . . . . . . 3.5 2.7 3.5 rr_2mu7 1
127 1 . . . . . . 2.7 1.8 2.7 rr_2mu7 1
128 1 . . . . . . 5.0 3.5 5.0 rr_2mu7 1
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1 NOE_distance 1 1 1 13 rr_2mu7 1
2 strong: 2 87 2 102 rr_2mu7 1
3 strong: 3 87 3 102 rr_2mu7 1
4 medium: 4 87 4 102 rr_2mu7 1
5 strong: 5 87 5 102 rr_2mu7 1
6 strong: 6 87 6 102 rr_2mu7 1
7 strong: 7 87 7 102 rr_2mu7 1
8 strong: 8 87 8 102 rr_2mu7 1
9 strong: 9 87 9 102 rr_2mu7 1
10 medium: 10 87 10 102 rr_2mu7 1
11 medium: 11 87 11 102 rr_2mu7 1
12 strong: 12 87 12 102 rr_2mu7 1
13 medium: 13 87 13 102 rr_2mu7 1
14 weak: 14 87 14 100 rr_2mu7 1
15 medium: 15 87 15 102 rr_2mu7 1
16 medium: 16 87 16 102 rr_2mu7 1
17 medium: 17 87 17 102 rr_2mu7 1
18 strong: 18 87 18 102 rr_2mu7 1
19 strong: 19 87 19 102 rr_2mu7 1
20 medium: 20 87 20 102 rr_2mu7 1
21 strong: 21 87 21 102 rr_2mu7 1
22 medium: 22 87 22 102 rr_2mu7 1
23 medium: 23 87 23 102 rr_2mu7 1
24 medium: 24 87 24 102 rr_2mu7 1
25 medium: 25 87 25 102 rr_2mu7 1
26 medium: 26 87 26 102 rr_2mu7 1
27 medium: 27 87 27 102 rr_2mu7 1
28 medium: 28 87 28 102 rr_2mu7 1
29 medium: 29 87 29 102 rr_2mu7 1
30 strong: 30 87 30 102 rr_2mu7 1
31 medium: 31 87 31 102 rr_2mu7 1
32 strong: 32 87 32 102 rr_2mu7 1
33 strong: 33 87 33 102 rr_2mu7 1
34 medium: 34 87 34 102 rr_2mu7 1
35 weak: 35 87 35 102 rr_2mu7 1
36 medium: 36 87 36 102 rr_2mu7 1
37 medium: 37 87 37 102 rr_2mu7 1
38 medium: 38 87 38 102 rr_2mu7 1
39 strong: 39 87 39 102 rr_2mu7 1
40 weak: 40 87 40 100 rr_2mu7 1
41 medium: 41 87 41 102 rr_2mu7 1
42 medium: 42 87 42 102 rr_2mu7 1
43 medium: 43 87 43 102 rr_2mu7 1
44 medium: 44 87 44 102 rr_2mu7 1
45 weak: 45 87 45 100 rr_2mu7 1
46 weak: 46 87 46 100 rr_2mu7 1
47 weak: 47 87 47 102 rr_2mu7 1
48 weak: 48 87 48 100 rr_2mu7 1
49 weak: 49 87 49 100 rr_2mu7 1
50 medium: 50 87 50 102 rr_2mu7 1
51 medium: 51 87 51 102 rr_2mu7 1
52 medium: 52 87 52 102 rr_2mu7 1
53 medium: 53 87 53 102 rr_2mu7 1
54 strong: 54 87 54 102 rr_2mu7 1
55 strong: 55 87 55 102 rr_2mu7 1
56 medium: 56 87 56 102 rr_2mu7 1
57 medium: 57 87 57 102 rr_2mu7 1
58 strong: 58 87 58 102 rr_2mu7 1
59 medium: 59 87 59 102 rr_2mu7 1
60 medium: 60 87 60 102 rr_2mu7 1
61 weak: 61 87 61 100 rr_2mu7 1
62 medium: 62 87 62 102 rr_2mu7 1
63 medium: 63 87 63 102 rr_2mu7 1
64 strong: 64 87 64 102 rr_2mu7 1
65 strong: 65 87 65 102 rr_2mu7 1
66 medium: 66 87 66 102 rr_2mu7 1
67 medium: 67 87 67 102 rr_2mu7 1
68 strong: 68 87 68 102 rr_2mu7 1
69 strong: 69 87 69 102 rr_2mu7 1
70 medium: 70 87 70 102 rr_2mu7 1
71 strong: 71 87 71 102 rr_2mu7 1
72 strong: 72 87 72 102 rr_2mu7 1
73 medium: 73 87 73 102 rr_2mu7 1
74 strong: 74 87 74 102 rr_2mu7 1
75 strong: 75 87 75 102 rr_2mu7 1
76 medium: 76 87 76 101 rr_2mu7 1
77 strong: 77 87 77 102 rr_2mu7 1
78 strong: 78 87 78 102 rr_2mu7 1
79 medium: 79 87 79 102 rr_2mu7 1
80 medium: 80 87 80 102 rr_2mu7 1
81 strong: 81 87 81 102 rr_2mu7 1
82 medium: 82 87 82 102 rr_2mu7 1
83 medium: 83 87 83 102 rr_2mu7 1
84 medium: 84 87 84 102 rr_2mu7 1
85 medium: 85 87 85 102 rr_2mu7 1
86 medium: 86 87 86 110 rr_2mu7 1
87 medium: 87 87 87 118 rr_2mu7 1
88 strong: 88 87 88 102 rr_2mu7 1
89 strong: 89 87 89 102 rr_2mu7 1
90 strong: 90 87 90 102 rr_2mu7 1
91 strong: 91 87 91 102 rr_2mu7 1
92 strong: 92 87 92 102 rr_2mu7 1
93 medium: 93 87 93 102 rr_2mu7 1
94 strong: 94 87 94 102 rr_2mu7 1
95 medium: 95 87 95 102 rr_2mu7 1
96 strong: 96 87 96 102 rr_2mu7 1
97 strong: 97 87 97 102 rr_2mu7 1
98 medium: 98 87 98 102 rr_2mu7 1
99 medium: 99 87 99 102 rr_2mu7 1
100 strong: 100 87 100 102 rr_2mu7 1
101 medium: 101 87 101 101 rr_2mu7 1
102 strong: 102 87 102 102 rr_2mu7 1
103 medium: 103 87 103 102 rr_2mu7 1
104 strong: 104 87 104 102 rr_2mu7 1
105 strong: 105 87 105 102 rr_2mu7 1
106 strong: 106 87 106 102 rr_2mu7 1
107 strong: 107 87 107 102 rr_2mu7 1
108 medium: 108 87 108 102 rr_2mu7 1
109 medium: 109 87 109 102 rr_2mu7 1
110 medium: 110 87 110 102 rr_2mu7 1
111 weak: 111 87 111 100 rr_2mu7 1
112 medium: 112 87 112 102 rr_2mu7 1
113 medium: 113 87 113 102 rr_2mu7 1
114 medium: 114 87 114 102 rr_2mu7 1
115 weak: 115 87 115 100 rr_2mu7 1
116 weak: 116 87 116 100 rr_2mu7 1
117 medium: 117 87 117 102 rr_2mu7 1
118 medium: 118 87 118 102 rr_2mu7 1
119 medium: 119 87 119 102 rr_2mu7 1
120 medium: 120 87 120 102 rr_2mu7 1
121 medium: 121 87 121 102 rr_2mu7 1
122 medium: 122 87 122 102 rr_2mu7 1
123 medium: 123 87 123 102 rr_2mu7 1
124 strong: 124 87 124 102 rr_2mu7 1
125 strong: 125 87 125 102 rr_2mu7 1
126 medium: 126 87 126 102 rr_2mu7 1
127 medium: 127 87 127 102 rr_2mu7 1
128 strong: 128 87 128 102 rr_2mu7 1
129 medium: 129 87 129 102 rr_2mu7 1
130 strong: 130 87 130 102 rr_2mu7 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 4 2 1 "Not handling restraint 2, item 1, resonance(s) '1.1.HN' (nmrStar names) not linked" rr_2mu7 1
2 4 26 1 "Not handling restraint 26, item 1, resonance(s) '1.1.HN' (nmrStar names) not linked" rr_2mu7 1
stop_
save_
save_Discover_distance_constraints_3_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode Discover_distance_constraints_3_1
_Distance_constraint_list.Entry_ID rr_2mu7
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Details "Generated by Wattos"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 3
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_2mu7 2
stop_
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . rr_2mu7 2
2 1 . . . rr_2mu7 2
3 1 . . . rr_2mu7 2
4 1 . . . rr_2mu7 2
5 1 . . . rr_2mu7 2
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Contribution_fractional_val
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Atom_type
_Dist_constraint.Atom_isotope_number
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_entity_assembly_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 . 1 . 1 1 2 2 TYR O O . . 1 . 2 TYR O rr_2mu7 2
1 1 . 2 . 1 1 6 6 GLN H H . . 1 . 6 GLN HN rr_2mu7 2
2 1 . 1 . 1 1 6 6 GLN O O . . 1 . 6 GLN O rr_2mu7 2
2 1 . 2 . 1 1 10 10 MET H H . . 1 . 10 MET HN rr_2mu7 2
3 1 . 1 . 1 1 9 9 LYS O O . . 1 . 9 LYS+ O rr_2mu7 2
3 1 . 2 . 1 1 13 13 ASN H H . . 1 . 13 ASN HN rr_2mu7 2
4 1 . 1 . 1 1 10 10 MET O O . . 1 . 10 MET O rr_2mu7 2
4 1 . 2 . 1 1 14 14 GLU H H . . 1 . 14 GLU- HN rr_2mu7 2
5 1 . 1 . 1 1 11 11 VAL O O . . 1 . 11 VAL O rr_2mu7 2
5 1 . 2 . 1 1 15 15 GLY H H . . 1 . 15 GLY HN rr_2mu7 2
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Spectral_peak_list_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . . 1.8 2.5 rr_2mu7 2
2 1 . . . . . . . 1.8 2.5 rr_2mu7 2
3 1 . . . . . . . 1.8 2.5 rr_2mu7 2
4 1 . . . . . . . 1.8 2.5 rr_2mu7 2
5 1 . . . . . . . 1.8 2.5 rr_2mu7 2
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1 distance 1 1 1 9 rr_2mu7 2
stop_
save_
save_Discover_dihedral_6
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Sf_framecode Discover_dihedral_6
_Torsion_angle_constraint_list.Entry_ID rr_2mu7
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Details "Generated by Wattos"
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 6
loop_
_Torsion_angle_constraint_software.Software_ID
_Torsion_angle_constraint_software.Software_label
_Torsion_angle_constraint_software.Method_ID
_Torsion_angle_constraint_software.Method_label
_Torsion_angle_constraint_software.Entry_ID
_Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID
. . . . rr_2mu7 1
stop_
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Atom_type_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Atom_type_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Atom_type_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Atom_type_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.PDB_record_ID_1
_Torsion_angle_constraint.PDB_model_num_1
_Torsion_angle_constraint.PDB_strand_ID_1
_Torsion_angle_constraint.PDB_ins_code_1
_Torsion_angle_constraint.PDB_residue_no_1
_Torsion_angle_constraint.PDB_residue_name_1
_Torsion_angle_constraint.PDB_atom_name_1
_Torsion_angle_constraint.PDB_record_ID_2
_Torsion_angle_constraint.PDB_model_num_2
_Torsion_angle_constraint.PDB_strand_ID_2
_Torsion_angle_constraint.PDB_ins_code_2
_Torsion_angle_constraint.PDB_residue_no_2
_Torsion_angle_constraint.PDB_residue_name_2
_Torsion_angle_constraint.PDB_atom_name_2
_Torsion_angle_constraint.PDB_record_ID_3
_Torsion_angle_constraint.PDB_model_num_3
_Torsion_angle_constraint.PDB_strand_ID_3
_Torsion_angle_constraint.PDB_ins_code_3
_Torsion_angle_constraint.PDB_residue_no_3
_Torsion_angle_constraint.PDB_residue_name_3
_Torsion_angle_constraint.PDB_atom_name_3
_Torsion_angle_constraint.PDB_record_ID_4
_Torsion_angle_constraint.PDB_model_num_4
_Torsion_angle_constraint.PDB_strand_ID_4
_Torsion_angle_constraint.PDB_ins_code_4
_Torsion_angle_constraint.PDB_residue_no_4
_Torsion_angle_constraint.PDB_residue_name_4
_Torsion_angle_constraint.PDB_atom_name_4
_Torsion_angle_constraint.Auth_entity_assembly_ID_1
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_chain_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_alt_ID_1
_Torsion_angle_constraint.Auth_atom_name_1
_Torsion_angle_constraint.Auth_entity_assembly_ID_2
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_chain_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_alt_ID_2
_Torsion_angle_constraint.Auth_atom_name_2
_Torsion_angle_constraint.Auth_entity_assembly_ID_3
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_chain_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_alt_ID_3
_Torsion_angle_constraint.Auth_atom_name_3
_Torsion_angle_constraint.Auth_entity_assembly_ID_4
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_chain_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Auth_alt_ID_4
_Torsion_angle_constraint.Auth_atom_name_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . 1 1 1 1 GLY CA C . . 1 1 1 1 GLY C C . . 1 1 2 2 TYR N N . . 1 1 2 2 TYR CA C . 178.0 180.0 . . . A . 1 GLY CA . . A . 1 GLY C . . A . 2 TYR N . . A . 2 TYR CA . 1 . 1 GLY CA . . . 1 . 1 GLY C . . . 1 . 2 TYR N . . . 1 . 2 TYR CA . . rr_2mu7 1
2 . . 1 1 2 2 TYR CA C . . 1 1 2 2 TYR C C . . 1 1 3 3 SER N N . . 1 1 3 3 SER CA C . 178.0 180.0 . . . A . 2 TYR CA . . A . 2 TYR C . . A . 3 SER N . . A . 3 SER CA . 1 . 2 TYR CA . . . 1 . 2 TYR C . . . 1 . 3 SER N . . . 1 . 3 SER CA . . rr_2mu7 1
3 . . 1 1 3 3 SER CA C . . 1 1 3 3 SER C C . . 1 1 4 4 LEU N N . . 1 1 4 4 LEU CA C . 178.0 180.0 . . . A . 3 SER CA . . A . 3 SER C . . A . 4 LEU N . . A . 4 LEU CA . 1 . 3 SER CA . . . 1 . 3 SER C . . . 1 . 4 LEU N . . . 1 . 4 LEU CA . . rr_2mu7 1
4 . . 1 1 4 4 LEU CA C . . 1 1 4 4 LEU C C . . 1 1 5 5 PHE N N . . 1 1 5 5 PHE CA C . 178.0 180.0 . . . A . 4 LEU CA . . A . 4 LEU C . . A . 5 PHE N . . A . 5 PHE CA . 1 . 4 LEU CA . . . 1 . 4 LEU C . . . 1 . 5 PHE N . . . 1 . 5 PHE CA . . rr_2mu7 1
5 . . 1 1 5 5 PHE CA C . . 1 1 5 5 PHE C C . . 1 1 6 6 GLN N N . . 1 1 6 6 GLN CA C . 178.0 180.0 . . . A . 5 PHE CA . . A . 5 PHE C . . A . 6 GLN N . . A . 6 GLN CA . 1 . 5 PHE CA . . . 1 . 5 PHE C . . . 1 . 6 GLN N . . . 1 . 6 GLN CA . . rr_2mu7 1
6 . . 1 1 6 6 GLN CA C . . 1 1 6 6 GLN C C . . 1 1 7 7 LYS N N . . 1 1 7 7 LYS CA C . 178.0 180.0 . . . A . 6 GLN CA . . A . 6 GLN C . . A . 7 LYS N . . A . 7 LYS CA . 1 . 6 GLN CA . . . 1 . 6 GLN C . . . 1 . 7 LYS+ N . . . 1 . 7 LYS+ CA . . rr_2mu7 1
7 . . 1 1 7 7 LYS CA C . . 1 1 7 7 LYS C C . . 1 1 8 8 GLU N N . . 1 1 8 8 GLU CA C . 178.0 180.0 . . . A . 7 LYS CA . . A . 7 LYS C . . A . 8 GLU N . . A . 8 GLU CA . 1 . 7 LYS+ CA . . . 1 . 7 LYS+ C . . . 1 . 8 GLU- N . . . 1 . 8 GLU- CA . . rr_2mu7 1
8 . . 1 1 8 8 GLU CA C . . 1 1 8 8 GLU C C . . 1 1 9 9 LYS N N . . 1 1 9 9 LYS CA C . 178.0 180.0 . . . A . 8 GLU CA . . A . 8 GLU C . . A . 9 LYS N . . A . 9 LYS CA . 1 . 8 GLU- CA . . . 1 . 8 GLU- C . . . 1 . 9 LYS+ N . . . 1 . 9 LYS+ CA . . rr_2mu7 1
9 . . 1 1 9 9 LYS CA C . . 1 1 9 9 LYS C C . . 1 1 10 10 MET N N . . 1 1 10 10 MET CA C . 178.0 180.0 . . . A . 9 LYS CA . . A . 9 LYS C . . A . 10 MET N . . A . 10 MET CA . 1 . 9 LYS+ CA . . . 1 . 9 LYS+ C . . . 1 . 10 MET N . . . 1 . 10 MET CA . . rr_2mu7 1
10 . . 1 1 10 10 MET CA C . . 1 1 10 10 MET C C . . 1 1 11 11 VAL N N . . 1 1 11 11 VAL CA C . 178.0 180.0 . . . A . 10 MET CA . . A . 10 MET C . . A . 11 VAL N . . A . 11 VAL CA . 1 . 10 MET CA . . . 1 . 10 MET C . . . 1 . 11 VAL N . . . 1 . 11 VAL CA . . rr_2mu7 1
11 . . 1 1 11 11 VAL CA C . . 1 1 11 11 VAL C C . . 1 1 12 12 LEU N N . . 1 1 12 12 LEU CA C . 178.0 180.0 . . . A . 11 VAL CA . . A . 11 VAL C . . A . 12 LEU N . . A . 12 LEU CA . 1 . 11 VAL CA . . . 1 . 11 VAL C . . . 1 . 12 LEU N . . . 1 . 12 LEU CA . . rr_2mu7 1
12 . . 1 1 12 12 LEU CA C . . 1 1 12 12 LEU C C . . 1 1 13 13 ASN N N . . 1 1 13 13 ASN CA C . 178.0 180.0 . . . A . 12 LEU CA . . A . 12 LEU C . . A . 13 ASN N . . A . 13 ASN CA . 1 . 12 LEU CA . . . 1 . 12 LEU C . . . 1 . 13 ASN N . . . 1 . 13 ASN CA . . rr_2mu7 1
13 . . 1 1 13 13 ASN CA C . . 1 1 13 13 ASN C C . . 1 1 14 14 GLU N N . . 1 1 14 14 GLU CA C . 178.0 180.0 . . . A . 13 ASN CA . . A . 13 ASN C . . A . 14 GLU N . . A . 14 GLU CA . 1 . 13 ASN CA . . . 1 . 13 ASN C . . . 1 . 14 GLU- N . . . 1 . 14 GLU- CA . . rr_2mu7 1
14 . . 1 1 14 14 GLU CA C . . 1 1 14 14 GLU C C . . 1 1 15 15 GLY N N . . 1 1 15 15 GLY CA C . 178.0 180.0 . . . A . 14 GLU CA . . A . 14 GLU C . . A . 15 GLY N . . A . 15 GLY CA . 1 . 14 GLU- CA . . . 1 . 14 GLU- C . . . 1 . 15 GLY N . . . 1 . 15 GLY CA . . rr_2mu7 1
15 . . 1 1 15 15 GLY CA C . . 1 1 15 15 GLY C C . . 1 1 16 16 THR N N . . 1 1 16 16 THR CA C . 178.0 180.0 . . . A . 15 GLY CA . . A . 15 GLY C . . A . 16 THR N . . A . 16 THR CA . 1 . 15 GLY CA . . . 1 . 15 GLY C . . . 1 . 16 THR N . . . 1 . 16 THR CA . . rr_2mu7 1
16 . . 1 1 16 16 THR CA C . . 1 1 16 16 THR C C . . 1 1 17 17 SER N N . . 1 1 17 17 SER CA C . 178.0 180.0 . . . A . 16 THR CA . . A . 16 THR C . . A . 17 SER N . . A . 17 SER CA . 1 . 16 THR CA . . . 1 . 16 THR C . . . 1 . 17 SER N . . . 1 . 17 SER CA . . rr_2mu7 1
17 . . 1 1 17 17 SER CA C . . 1 1 17 17 SER C C . . 1 1 18 18 GLY N N . . 1 1 18 18 GLY CA C . 178.0 180.0 . . . A . 17 SER CA . . A . 17 SER C . . A . 18 GLY N . . A . 18 GLY CA . 1 . 17 SER CA . . . 1 . 17 SER C . . . 1 . 18 GLY N . . . 1 . 18 GLY CA . . rr_2mu7 1
18 . . 1 1 18 18 GLY CA C . . 1 1 18 18 GLY C C . . 1 1 19 19 THR N N . . 1 1 19 19 THR CA C . 178.0 180.0 . . . A . 18 GLY CA . . A . 18 GLY C . . A . 19 THR N . . A . 19 THR CA . 1 . 18 GLY CA . . . 1 . 18 GLY C . . . 1 . 19 THR N . . . 1 . 19 THR CA . . rr_2mu7 1
19 . . 1 1 19 19 THR CA C . . 1 1 19 19 THR C C . . 1 1 20 20 ALA N N . . 1 1 20 20 ALA CA C . 178.0 180.0 . . . A . 19 THR CA . . A . 19 THR C . . A . 20 ALA N . . A . 20 ALA CA . 1 . 19 THR CA . . . 1 . 19 THR C . . . 1 . 20 ALA N . . . 1 . 20 ALA CA . . rr_2mu7 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1 NMR_dihedral 1 1 1 13 rr_2mu7 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_2mu7
_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 CELL INVASION 04-SEP-14 2MU7 *TITLE SHORTENING AND MODIFYING THE 1513 MSP-1 PEPTIDE'S ALPHA-HELICAL REGION
*TITLE 2 INDUCES PROTECTION AGAINST MALARIA *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: 1513 MSP-1 PEPTIDE; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; *SOURCE 4 ORGANISM_TAXID: 5833 *KEYWDS MSP-1 PROTEIN, CELL INVASION *EXPDTA SOLUTION NMR *NUMMDL 1 *AUTHOR F.ESPEJO, A.BERMUDEZ, E.TORRES, M.URQUIZA, R.RODRIGUEZ, Y.LOPEZ, *AUTHOR 2 M.PATARROYO *REVDAT 1 12-NOV-14 2MU7 0
;
save_
save_MR_file_comment_5
_Org_constr_file_comment.Sf_framecode MR_file_comment_5
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID rr_2mu7
_Org_constr_file_comment.ID 2
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 5
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;#mixing_times
2.000000E+02 !
;
save_