data_Remediated_restraints_file_for_PDB_entry_1id7 # This BMRB archive file contains, for PDB entry 1id7: # # - 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 as part of the wwPDB 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. ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID rr_1id7 _Entry.Title 'wwPDB remediated NMR restraints for PDB entry 1id7' _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 1id7' _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 1id7 'Master copy' rr_1id7 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID rr_1id7 _Assembly.ID 1 _Assembly.Name 1id7 _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 1781.9374 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 SYR6 1 $SYR6 A . no . . . . . . rr_1id7 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SYR6 _Entity.Sf_category entity _Entity.Sf_framecode SYR6 _Entity.Entry_ID rr_1id7 _Entity.ID 1 _Entity.Name SYR6 _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code SVQARWEAAFDLDLY _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 15 _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Parent_entity_ID 1 _Entity.Formula_weight 1781.9374 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 . SER . rr_1id7 1 2 . VAL . rr_1id7 1 3 . GLN . rr_1id7 1 4 . ALA . rr_1id7 1 5 . ARG . rr_1id7 1 6 . TRP . rr_1id7 1 7 . GLU . rr_1id7 1 8 . ALA . rr_1id7 1 9 . ALA . rr_1id7 1 10 . PHE . rr_1id7 1 11 . ASP . rr_1id7 1 12 . LEU . rr_1id7 1 13 . ASP . rr_1id7 1 14 . LEU . rr_1id7 1 15 . TYR . rr_1id7 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 . SER 1 1 rr_1id7 1 . VAL 2 2 rr_1id7 1 . GLN 3 3 rr_1id7 1 . ALA 4 4 rr_1id7 1 . ARG 5 5 rr_1id7 1 . TRP 6 6 rr_1id7 1 . GLU 7 7 rr_1id7 1 . ALA 8 8 rr_1id7 1 . ALA 9 9 rr_1id7 1 . PHE 10 10 rr_1id7 1 . ASP 11 11 rr_1id7 1 . LEU 12 12 rr_1id7 1 . ASP 13 13 rr_1id7 1 . LEU 14 14 rr_1id7 1 . TYR 15 15 rr_1id7 1 stop_ save_ ############################## # Structure determinations # ############################## ########################## # Conformer statistics # ########################## save_conformer_statistics _Conformer_stat_list.Sf_category conformer_statistics _Conformer_stat_list.Sf_framecode conformer_statistics _Conformer_stat_list.Entry_ID rr_1id7 _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_ ##################################### # Conformer family coordinate set # ##################################### 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_1id7 _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_1id7 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_1id7 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 2 VAL C C 4.279 -0.342 1.752 . . . 1.0 . . . . . . . . . . . . A . 2 VAL C . . . . . . . . . rr_1id7 1 . 1 . 2 . 1 1 2 VAL CA C 4.425 1.114 2.179 . . . 1.0 . . . . . . . . . . . . A . 2 VAL CA . . . . . . . . . rr_1id7 1 . 1 . 3 . 1 1 2 VAL CB C 3.083 1.698 2.616 . . . 1.0 . . . . . . . . . . . . A . 2 VAL CB . . . . . . . . . rr_1id7 1 . 1 . 4 . 1 1 2 VAL CG1 C 2.442 0.770 3.643 . . . 1.0 . . . . . . . . . . . . A . 2 VAL CG1 . . . . . . . . . rr_1id7 1 . 1 . 5 . 1 1 2 VAL CG2 C 3.300 3.076 3.232 . . . 1.0 . . . . . . . . . . . . A . 2 VAL CG2 . . . . . . . . . rr_1id7 1 . 1 . 6 . 1 1 2 VAL H H 4.294 2.375 0.476 . . . 1.0 . . . . . . . . . . . . A . 2 VAL H . . . . . . . . . rr_1id7 1 . 1 . 7 . 1 1 2 VAL HA H 5.125 1.168 3.016 . . . 1.0 . . . . . . . . . . . . A . 2 VAL HA . . . . . . . . . rr_1id7 1 . 1 . 8 . 1 1 2 VAL HB H 2.432 1.786 1.745 . . . 1.0 . . . . . . . . . . . . A . 2 VAL HB . . . . . . . . . rr_1id7 1 . 1 . 9 . 1 1 2 VAL HG11 H 3.222 0.246 4.195 . . . 1.0 . . . . . . . . . . . . A . 2 VAL HG11 . . . . . . . . . rr_1id7 1 . 1 . 10 . 1 1 2 VAL HG12 H 1.838 1.355 4.336 . . . 1.0 . . . . . . . . . . . . A . 2 VAL HG12 . . . . . . . . . rr_1id7 1 . 1 . 11 . 1 1 2 VAL HG13 H 1.810 0.044 3.130 . . . 1.0 . . . . . . . . . . . . A . 2 VAL HG13 . . . . . . . . . rr_1id7 1 . 1 . 12 . 1 1 2 VAL HG21 H 3.098 3.845 2.485 . . . 1.0 . . . . . . . . . . . . A . 2 VAL HG21 . . . . . . . . . rr_1id7 1 . 1 . 13 . 1 1 2 VAL HG22 H 2.625 3.207 4.078 . . . 1.0 . . . . . . . . . . . . A . 2 VAL HG22 . . . . . . . . . rr_1id7 1 . 1 . 14 . 1 1 2 VAL HG23 H 4.331 3.164 3.573 . . . 1.0 . . . . . . . . . . . . A . 2 VAL HG23 . . . . . . . . . rr_1id7 1 . 1 . 15 . 1 1 2 VAL N N 4.951 1.896 1.075 . . . 1.0 . . . . . . . . . . . . A . 2 VAL N . . . . . . . . . rr_1id7 1 . 1 . 16 . 1 1 2 VAL O O 5.288 -1.036 1.619 . . . 1.0 . . . . . . . . . . . . A . 2 VAL O . . . . . . . . . rr_1id7 1 . 1 . 17 . 1 1 3 GLN C C 1.959 -1.784 -0.544 . . . 1.0 . . . . . . . . . . . . A . 3 GLN C . . . . . . . . . rr_1id7 1 . 1 . 18 . 1 1 3 GLN CA C 2.879 -2.000 0.654 . . . 1.0 . . . . . . . . . . . . A . 3 GLN CA . . . . . . . . . rr_1id7 1 . 1 . 19 . 1 1 3 GLN CB C 2.283 -3.011 1.628 . . . 1.0 . . . . . . . . . . . . A . 3 GLN CB . . . . . . . . . rr_1id7 1 . 1 . 20 . 1 1 3 GLN CD C 2.365 -4.798 -0.136 . . . 1.0 . . . . . . . . . . . . A . 3 GLN CD . . . . . . . . . rr_1id7 1 . 1 . 21 . 1 1 3 GLN CG C 2.783 -4.412 1.278 . . . 1.0 . . . . . . . . . . . . A . 3 GLN CG . . . . . . . . . rr_1id7 1 . 1 . 22 . 1 1 3 GLN H H 2.333 -0.040 1.227 . . . 1.0 . . . . . . . . . . . . A . 3 GLN H . . . . . . . . . rr_1id7 1 . 1 . 23 . 1 1 3 GLN HA H 3.848 -2.361 0.306 . . . 1.0 . . . . . . . . . . . . A . 3 GLN HA . . . . . . . . . rr_1id7 1 . 1 . 24 . 1 1 3 GLN HB2 H 2.589 -2.762 2.644 . . . 1.0 . . . . . . . . . . . . A . 3 GLN HB2 . . . . . . . . . rr_1id7 1 . 1 . 25 . 1 1 3 GLN HB3 H 1.195 -2.987 1.560 . . . 1.0 . . . . . . . . . . . . A . 3 GLN HB3 . . . . . . . . . rr_1id7 1 . 1 . 26 . 1 1 3 GLN HE21 H 0.920 -6.034 0.592 . . . 1.0 . . . . . . . . . . . . A . 3 GLN HE21 . . . . . . . . . rr_1id7 1 . 1 . 27 . 1 1 3 GLN HE22 H 1.122 -6.056 -1.145 . . . 1.0 . . . . . . . . . . . . A . 3 GLN HE22 . . . . . . . . . rr_1id7 1 . 1 . 28 . 1 1 3 GLN HG2 H 3.871 -4.432 1.349 . . . 1.0 . . . . . . . . . . . . A . 3 GLN HG2 . . . . . . . . . rr_1id7 1 . 1 . 29 . 1 1 3 GLN HG3 H 2.363 -5.130 1.985 . . . 1.0 . . . . . . . . . . . . A . 3 GLN HG3 . . . . . . . . . rr_1id7 1 . 1 . 30 . 1 1 3 GLN N N 3.070 -0.727 1.335 . . . 1.0 . . . . . . . . . . . . A . 3 GLN N . . . . . . . . . rr_1id7 1 . 1 . 31 . 1 1 3 GLN NE2 N 1.364 -5.675 -0.241 . . . 1.0 . . . . . . . . . . . . A . 3 GLN NE2 . . . . . . . . . rr_1id7 1 . 1 . 32 . 1 1 3 GLN O O 2.326 -2.126 -1.667 . . . 1.0 . . . . . . . . . . . . A . 3 GLN O . . . . . . . . . rr_1id7 1 . 1 . 33 . 1 1 3 GLN OE1 O 3.049 -4.450 -1.096 . . . 1.0 . . . . . . . . . . . . A . 3 GLN OE1 . . . . . . . . . rr_1id7 1 . 1 . 34 . 1 1 4 ALA C C -0.709 -2.064 -1.721 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_1id7 1 . 1 . 35 . 1 1 4 ALA CA C -0.047 -0.724 -1.398 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_1id7 1 . 1 . 36 . 1 1 4 ALA CB C 0.627 -0.146 -2.637 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_1id7 1 . 1 . 37 . 1 1 4 ALA H H 0.649 -0.741 0.604 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_1id7 1 . 1 . 38 . 1 1 4 ALA HA H -0.807 -0.030 -1.039 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_1id7 1 . 1 . 39 . 1 1 4 ALA HB1 H 1.212 -0.922 -3.131 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . rr_1id7 1 . 1 . 40 . 1 1 4 ALA HB2 H -0.134 0.225 -3.325 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_1id7 1 . 1 . 41 . 1 1 4 ALA HB3 H 1.283 0.674 -2.346 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_1id7 1 . 1 . 42 . 1 1 4 ALA N N 0.945 -0.923 -0.349 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_1id7 1 . 1 . 43 . 1 1 4 ALA O O -0.092 -3.097 -1.445 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_1id7 1 . 1 . 44 . 1 1 5 ARG C C -2.587 -4.019 -1.734 . . . 1.0 . . . . . . . . . . . . A . 5 ARG C . . . . . . . . . rr_1id7 1 . 1 . 45 . 1 1 5 ARG CA C -2.348 -3.257 -3.040 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CA . . . . . . . . . rr_1id7 1 . 1 . 46 . 1 1 5 ARG CB C -1.606 -4.123 -4.047 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CB . . . . . . . . . rr_1id7 1 . 1 . 47 . 1 1 5 ARG CD C 0.489 -4.985 -2.986 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CD . . . . . . . . . rr_1id7 1 . 1 . 48 . 1 1 5 ARG CG C -0.096 -3.962 -3.959 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CG . . . . . . . . . rr_1id7 1 . 1 . 49 . 1 1 5 ARG CZ C 1.833 -6.414 -4.479 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CZ . . . . . . . . . rr_1id7 1 . 1 . 50 . 1 1 5 ARG H H -2.106 -1.159 -2.862 . . . 1.0 . . . . . . . . . . . . A . 5 ARG H . . . . . . . . . rr_1id7 1 . 1 . 51 . 1 1 5 ARG HA H -3.323 -2.993 -3.459 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HA . . . . . . . . . rr_1id7 1 . 1 . 52 . 1 1 5 ARG HB2 H -1.863 -5.172 -3.870 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB2 . . . . . . . . . rr_1id7 1 . 1 . 53 . 1 1 5 ARG HB3 H -1.934 -3.855 -5.056 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB3 . . . . . . . . . rr_1id7 1 . 1 . 54 . 1 1 5 ARG HD2 H 1.412 -4.586 -2.560 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD2 . . . . . . . . . rr_1id7 1 . 1 . 55 . 1 1 5 ARG HD3 H -0.221 -5.165 -2.177 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD3 . . . . . . . . . rr_1id7 1 . 1 . 56 . 1 1 5 ARG HE H 0.156 -7.028 -3.493 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HE . . . . . . . . . rr_1id7 1 . 1 . 57 . 1 1 5 ARG HG2 H 0.338 -4.136 -4.949 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG2 . . . . . . . . . rr_1id7 1 . 1 . 58 . 1 1 5 ARG HG3 H 0.161 -2.955 -3.637 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG3 . . . . . . . . . rr_1id7 1 . 1 . 59 . 1 1 5 ARG HH11 H 2.494 -4.492 -4.282 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH11 . . . . . . . . . rr_1id7 1 . 1 . 60 . 1 1 5 ARG HH12 H 3.455 -5.511 -5.330 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH12 . . . . . . . . . rr_1id7 1 . 1 . 61 . 1 1 5 ARG HH21 H 1.446 -8.382 -4.858 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH21 . . . . . . . . . rr_1id7 1 . 1 . 62 . 1 1 5 ARG HH22 H 2.873 -7.736 -5.636 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH22 . . . . . . . . . rr_1id7 1 . 1 . 63 . 1 1 5 ARG N N -1.612 -2.039 -2.725 . . . 1.0 . . . . . . . . . . . . A . 5 ARG N . . . . . . . . . rr_1id7 1 . 1 . 64 . 1 1 5 ARG NE N 0.779 -6.250 -3.666 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NE . . . . . . . . . rr_1id7 1 . 1 . 65 . 1 1 5 ARG NH1 N 2.675 -5.394 -4.699 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH1 . . . . . . . . . rr_1id7 1 . 1 . 66 . 1 1 5 ARG NH2 N 2.055 -7.601 -5.059 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH2 . . . . . . . . . rr_1id7 1 . 1 . 67 . 1 1 5 ARG O O -2.359 -5.225 -1.677 . . . 1.0 . . . . . . . . . . . . A . 5 ARG O . . . . . . . . . rr_1id7 1 . 1 . 68 . 1 1 6 TRP C C -3.882 -3.198 1.563 . . . 1.0 . . . . . . . . . . . . A . 6 TRP C . . . . . . . . . rr_1id7 1 . 1 . 69 . 1 1 6 TRP CA C -2.819 -3.839 0.680 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CA . . . . . . . . . rr_1id7 1 . 1 . 70 . 1 1 6 TRP CB C -1.421 -3.615 1.266 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CB . . . . . . . . . rr_1id7 1 . 1 . 71 . 1 1 6 TRP CD1 C -1.737 -1.084 1.367 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD1 . . . . . . . . . rr_1id7 1 . 1 . 72 . 1 1 6 TRP CD2 C -0.374 -1.868 2.961 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD2 . . . . . . . . . rr_1id7 1 . 1 . 73 . 1 1 6 TRP CE2 C -0.696 -0.538 3.327 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE2 . . . . . . . . . rr_1id7 1 . 1 . 74 . 1 1 6 TRP CE3 C 0.540 -2.554 3.774 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE3 . . . . . . . . . rr_1id7 1 . 1 . 75 . 1 1 6 TRP CG C -1.177 -2.229 1.788 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CG . . . . . . . . . rr_1id7 1 . 1 . 76 . 1 1 6 TRP CH2 C 0.789 -0.631 5.237 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CH2 . . . . . . . . . rr_1id7 1 . 1 . 77 . 1 1 6 TRP CZ2 C -0.131 0.078 4.451 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ2 . . . . . . . . . rr_1id7 1 . 1 . 78 . 1 1 6 TRP CZ3 C 1.107 -1.954 4.902 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ3 . . . . . . . . . rr_1id7 1 . 1 . 79 . 1 1 6 TRP H H -2.768 -2.261 -0.724 . . . 1.0 . . . . . . . . . . . . A . 6 TRP H . . . . . . . . . rr_1id7 1 . 1 . 80 . 1 1 6 TRP HA H -3.007 -4.912 0.612 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HA . . . . . . . . . rr_1id7 1 . 1 . 81 . 1 1 6 TRP HB2 H -1.303 -4.320 2.101 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HB2 . . . . . . . . . rr_1id7 1 . 1 . 82 . 1 1 6 TRP HB3 H -0.670 -3.857 0.516 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HB3 . . . . . . . . . rr_1id7 1 . 1 . 83 . 1 1 6 TRP HD1 H -2.592 -1.062 0.719 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HD1 . . . . . . . . . rr_1id7 1 . 1 . 84 . 1 1 6 TRP HE1 H -1.661 0.883 2.133 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE1 . . . . . . . . . rr_1id7 1 . 1 . 85 . 1 1 6 TRP HE3 H 0.800 -3.570 3.507 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE3 . . . . . . . . . rr_1id7 1 . 1 . 86 . 1 1 6 TRP HH2 H 1.218 -0.175 6.115 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HH2 . . . . . . . . . rr_1id7 1 . 1 . 87 . 1 1 6 TRP HZ2 H -0.388 1.095 4.703 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ2 . . . . . . . . . rr_1id7 1 . 1 . 88 . 1 1 6 TRP HZ3 H 1.821 -2.501 5.500 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ3 . . . . . . . . . rr_1id7 1 . 1 . 89 . 1 1 6 TRP N N -2.859 -3.268 -0.658 . . . 1.0 . . . . . . . . . . . . A . 6 TRP N . . . . . . . . . rr_1id7 1 . 1 . 90 . 1 1 6 TRP NE1 N -1.561 -0.107 2.336 . . . 1.0 . . . . . . . . . . . . A . 6 TRP NE1 . . . . . . . . . rr_1id7 1 . 1 . 91 . 1 1 6 TRP O O -5.020 -3.043 1.115 . . . 1.0 . . . . . . . . . . . . A . 6 TRP O . . . . . . . . . rr_1id7 1 . 1 . 92 . 1 1 7 GLU C C -5.504 -1.647 3.246 . . . 1.0 . . . . . . . . . . . . A . 7 GLU C . . . . . . . . . rr_1id7 1 . 1 . 93 . 1 1 7 GLU CA C -4.618 -2.737 3.841 . . . 1.0 . . . . . . . . . . . . A . 7 GLU CA . . . . . . . . . rr_1id7 1 . 1 . 94 . 1 1 7 GLU CB C -3.928 -2.242 5.110 . . . 1.0 . . . . . . . . . . . . A . 7 GLU CB . . . . . . . . . rr_1id7 1 . 1 . 95 . 1 1 7 GLU CD C -4.246 -2.514 7.586 . . . 1.0 . . . . . . . . . . . . A . 7 GLU CD . . . . . . . . . rr_1id7 1 . 1 . 96 . 1 1 7 GLU CG C -4.178 -3.233 6.245 . . . 1.0 . . . . . . . . . . . . A . 7 GLU CG . . . . . . . . . rr_1id7 1 . 1 . 97 . 1 1 7 GLU H H -2.723 -3.462 3.223 . . . 1.0 . . . . . . . . . . . . A . 7 GLU H . . . . . . . . . rr_1id7 1 . 1 . 98 . 1 1 7 GLU HA H -5.234 -3.605 4.084 . . . 1.0 . . . . . . . . . . . . A . 7 GLU HA . . . . . . . . . rr_1id7 1 . 1 . 99 . 1 1 7 GLU HB2 H -2.856 -2.157 4.931 . . . 1.0 . . . . . . . . . . . . A . 7 GLU HB2 . . . . . . . . . rr_1id7 1 . 1 . 100 . 1 1 7 GLU HB3 H -4.330 -1.267 5.385 . . . 1.0 . . . . . . . . . . . . A . 7 GLU HB3 . . . . . . . . . rr_1id7 1 . 1 . 101 . 1 1 7 GLU HG2 H -5.122 -3.751 6.067 . . . 1.0 . . . . . . . . . . . . A . 7 GLU HG2 . . . . . . . . . rr_1id7 1 . 1 . 102 . 1 1 7 GLU HG3 H -3.367 -3.963 6.269 . . . 1.0 . . . . . . . . . . . . A . 7 GLU HG3 . . . . . . . . . rr_1id7 1 . 1 . 103 . 1 1 7 GLU N N -3.611 -3.132 2.870 . . . 1.0 . . . . . . . . . . . . A . 7 GLU N . . . . . . . . . rr_1id7 1 . 1 . 104 . 1 1 7 GLU O O -6.728 -1.742 3.325 . . . 1.0 . . . . . . . . . . . . A . 7 GLU O . . . . . . . . . rr_1id7 1 . 1 . 105 . 1 1 7 GLU OE1 O -3.177 -2.410 8.226 . . . 1.0 . . . . . . . . . . . . A . 7 GLU OE1 . . . . . . . . . rr_1id7 1 . 1 . 106 . 1 1 7 GLU OE2 O -5.380 -2.177 7.990 . . . 1.0 . . . . . . . . . . . . A . 7 GLU OE2 . . . . . . . . . rr_1id7 1 . 1 . 107 . 1 1 8 ALA C C -4.817 0.624 0.447 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_1id7 1 . 1 . 108 . 1 1 8 ALA CA C -5.652 0.190 1.652 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_1id7 1 . 1 . 109 . 1 1 8 ALA CB C -6.006 1.392 2.523 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_1id7 1 . 1 . 110 . 1 1 8 ALA H H -3.908 -0.856 2.256 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_1id7 1 . 1 . 111 . 1 1 8 ALA HA H -6.570 -0.279 1.294 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_1id7 1 . 1 . 112 . 1 1 8 ALA HB1 H -5.196 1.581 3.228 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_1id7 1 . 1 . 113 . 1 1 8 ALA HB2 H -6.151 2.269 1.892 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_1id7 1 . 1 . 114 . 1 1 8 ALA HB3 H -6.924 1.184 3.073 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_1id7 1 . 1 . 115 . 1 1 8 ALA N N -4.899 -0.772 2.436 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_1id7 1 . 1 . 116 . 1 1 8 ALA O O -4.778 -0.108 -0.545 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_1id7 1 . 1 . 117 . 1 1 9 ALA C C -2.217 3.213 0.041 . . . 1.0 . . . . . . . . . . . . A . 9 ALA C . . . . . . . . . rr_1id7 1 . 1 . 118 . 1 1 9 ALA CA C -2.850 1.864 -0.279 . . . 1.0 . . . . . . . . . . . . A . 9 ALA CA . . . . . . . . . rr_1id7 1 . 1 . 119 . 1 1 9 ALA CB C -3.417 1.858 -1.696 . . . 1.0 . . . . . . . . . . . . A . 9 ALA CB . . . . . . . . . rr_1id7 1 . 1 . 120 . 1 1 9 ALA H H -3.791 1.944 1.614 . . . 1.0 . . . . . . . . . . . . A . 9 ALA H . . . . . . . . . rr_1id7 1 . 1 . 121 . 1 1 9 ALA HA H -2.089 1.086 -0.195 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HA . . . . . . . . . rr_1id7 1 . 1 . 122 . 1 1 9 ALA HB1 H -2.901 2.611 -2.292 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB1 . . . . . . . . . rr_1id7 1 . 1 . 123 . 1 1 9 ALA HB2 H -3.266 0.875 -2.142 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB2 . . . . . . . . . rr_1id7 1 . 1 . 124 . 1 1 9 ALA HB3 H -4.482 2.085 -1.664 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB3 . . . . . . . . . rr_1id7 1 . 1 . 125 . 1 1 9 ALA N N -3.910 1.581 0.676 . . . 1.0 . . . . . . . . . . . . A . 9 ALA N . . . . . . . . . rr_1id7 1 . 1 . 126 . 1 1 9 ALA O O -2.893 4.111 0.540 . . . 1.0 . . . . . . . . . . . . A . 9 ALA O . . . . . . . . . rr_1id7 1 . 1 . 127 . 1 1 10 PHE C C 0.580 5.156 -0.827 . . . 1.0 . . . . . . . . . . . . A . 10 PHE C . . . . . . . . . rr_1id7 1 . 1 . 128 . 1 1 10 PHE CA C -0.150 4.464 0.321 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CA . . . . . . . . . rr_1id7 1 . 1 . 129 . 1 1 10 PHE CB C 0.852 3.967 1.369 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CB . . . . . . . . . rr_1id7 1 . 1 . 130 . 1 1 10 PHE CD1 C 0.210 5.590 3.189 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD1 . . . . . . . . . rr_1id7 1 . 1 . 131 . 1 1 10 PHE CD2 C 0.255 3.221 3.704 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD2 . . . . . . . . . rr_1id7 1 . 1 . 132 . 1 1 10 PHE CE1 C -0.183 5.868 4.504 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE1 . . . . . . . . . rr_1id7 1 . 1 . 133 . 1 1 10 PHE CE2 C -0.138 3.498 5.018 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE2 . . . . . . . . . rr_1id7 1 . 1 . 134 . 1 1 10 PHE CG C 0.428 4.266 2.790 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CG . . . . . . . . . rr_1id7 1 . 1 . 135 . 1 1 10 PHE CZ C -0.356 4.822 5.419 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CZ . . . . . . . . . rr_1id7 1 . 1 . 136 . 1 1 10 PHE H H -0.368 2.480 -0.370 . . . 1.0 . . . . . . . . . . . . A . 10 PHE H . . . . . . . . . rr_1id7 1 . 1 . 137 . 1 1 10 PHE HA H -0.833 5.169 0.794 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HA . . . . . . . . . rr_1id7 1 . 1 . 138 . 1 1 10 PHE HB2 H 0.967 2.887 1.251 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HB2 . . . . . . . . . rr_1id7 1 . 1 . 139 . 1 1 10 PHE HB3 H 1.818 4.444 1.183 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HB3 . . . . . . . . . rr_1id7 1 . 1 . 140 . 1 1 10 PHE HD1 H 0.344 6.396 2.483 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD1 . . . . . . . . . rr_1id7 1 . 1 . 141 . 1 1 10 PHE HD2 H 0.424 2.201 3.391 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD2 . . . . . . . . . rr_1id7 1 . 1 . 142 . 1 1 10 PHE HE1 H -0.351 6.889 4.813 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE1 . . . . . . . . . rr_1id7 1 . 1 . 143 . 1 1 10 PHE HE2 H -0.271 2.692 5.724 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE2 . . . . . . . . . rr_1id7 1 . 1 . 144 . 1 1 10 PHE HZ H -0.659 5.036 6.433 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HZ . . . . . . . . . rr_1id7 1 . 1 . 145 . 1 1 10 PHE N N -0.902 3.323 -0.183 . . . 1.0 . . . . . . . . . . . . A . 10 PHE N . . . . . . . . . rr_1id7 1 . 1 . 146 . 1 1 10 PHE O O 0.203 6.271 -1.198 . . . 1.0 . . . . . . . . . . . . A . 10 PHE O . . . . . . . . . rr_1id7 1 . 1 . 147 . 1 1 11 ASP C C 2.827 4.625 -3.319 . . . 1.0 . . . . . . . . . . . . A . 11 ASP C . . . . . . . . . rr_1id7 1 . 1 . 148 . 1 1 11 ASP CA C 2.699 5.390 -2.010 . . . 1.0 . . . . . . . . . . . . A . 11 ASP CA . . . . . . . . . rr_1id7 1 . 1 . 149 . 1 1 11 ASP CB C 4.065 5.543 -1.337 . . . 1.0 . . . . . . . . . . . . A . 11 ASP CB . . . . . . . . . rr_1id7 1 . 1 . 150 . 1 1 11 ASP CG C 4.854 6.681 -1.971 . . . 1.0 . . . . . . . . . . . . A . 11 ASP CG . . . . . . . . . rr_1id7 1 . 1 . 151 . 1 1 11 ASP H H 2.164 3.888 -0.610 . . . 1.0 . . . . . . . . . . . . A . 11 ASP H . . . . . . . . . rr_1id7 1 . 1 . 152 . 1 1 11 ASP HA H 2.293 6.382 -2.213 . . . 1.0 . . . . . . . . . . . . A . 11 ASP HA . . . . . . . . . rr_1id7 1 . 1 . 153 . 1 1 11 ASP HB2 H 3.919 5.752 -0.277 . . . 1.0 . . . . . . . . . . . . A . 11 ASP HB2 . . . . . . . . . rr_1id7 1 . 1 . 154 . 1 1 11 ASP HB3 H 4.623 4.612 -1.447 . . . 1.0 . . . . . . . . . . . . A . 11 ASP HB3 . . . . . . . . . rr_1id7 1 . 1 . 155 . 1 1 11 ASP N N 1.801 4.688 -1.109 . . . 1.0 . . . . . . . . . . . . A . 11 ASP N . . . . . . . . . rr_1id7 1 . 1 . 156 . 1 1 11 ASP O O 3.459 5.101 -4.259 . . . 1.0 . . . . . . . . . . . . A . 11 ASP O . . . . . . . . . rr_1id7 1 . 1 . 157 . 1 1 11 ASP OD1 O 5.476 6.421 -3.024 . . . 1.0 . . . . . . . . . . . . A . 11 ASP OD1 . . . . . . . . . rr_1id7 1 . 1 . 158 . 1 1 11 ASP OD2 O 4.761 7.804 -1.430 . . . 1.0 . . . . . . . . . . . . A . 11 ASP OD2 . . . . . . . . . rr_1id7 1 . 1 . 159 . 1 1 12 LEU C C 0.747 2.500 -5.064 . . . 1.0 . . . . . . . . . . . . A . 12 LEU C . . . . . . . . . rr_1id7 1 . 1 . 160 . 1 1 12 LEU CA C 2.193 2.655 -4.603 . . . 1.0 . . . . . . . . . . . . A . 12 LEU CA . . . . . . . . . rr_1id7 1 . 1 . 161 . 1 1 12 LEU CB C 2.830 1.289 -4.353 . . . 1.0 . . . . . . . . . . . . A . 12 LEU CB . . . . . . . . . rr_1id7 1 . 1 . 162 . 1 1 12 LEU CD1 C 3.846 -0.158 -2.597 . . . 1.0 . . . . . . . . . . . . A . 12 LEU CD1 . . . . . . . . . rr_1id7 1 . 1 . 163 . 1 1 12 LEU CD2 C 4.812 2.089 -3.076 . . . 1.0 . . . . . . . . . . . . A . 12 LEU CD2 . . . . . . . . . rr_1id7 1 . 1 . 164 . 1 1 12 LEU CG C 3.519 1.280 -2.993 . . . 1.0 . . . . . . . . . . . . A . 12 LEU CG . . . . . . . . . rr_1id7 1 . 1 . 165 . 1 1 12 LEU H H 1.646 3.129 -2.609 . . . 1.0 . . . . . . . . . . . . A . 12 LEU H . . . . . . . . . rr_1id7 1 . 1 . 166 . 1 1 12 LEU HA H 2.761 3.176 -5.375 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HA . . . . . . . . . rr_1id7 1 . 1 . 167 . 1 1 12 LEU HB2 H 2.058 0.519 -4.379 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HB2 . . . . . . . . . rr_1id7 1 . 1 . 168 . 1 1 12 LEU HB3 H 3.566 1.086 -5.133 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HB3 . . . . . . . . . rr_1id7 1 . 1 . 169 . 1 1 12 LEU HD11 H 4.909 -0.343 -2.747 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD11 . . . . . . . . . rr_1id7 1 . 1 . 170 . 1 1 12 LEU HD12 H 3.593 -0.311 -1.548 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD12 . . . . . . . . . rr_1id7 1 . 1 . 171 . 1 1 12 LEU HD13 H 3.266 -0.844 -3.215 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD13 . . . . . . . . . rr_1id7 1 . 1 . 172 . 1 1 12 LEU HD21 H 5.100 2.205 -4.121 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD21 . . . . . . . . . rr_1id7 1 . 1 . 173 . 1 1 12 LEU HD22 H 4.654 3.072 -2.632 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD22 . . . . . . . . . rr_1id7 1 . 1 . 174 . 1 1 12 LEU HD23 H 5.602 1.567 -2.537 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD23 . . . . . . . . . rr_1id7 1 . 1 . 175 . 1 1 12 LEU HG H 2.864 1.720 -2.241 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HG . . . . . . . . . rr_1id7 1 . 1 . 176 . 1 1 12 LEU N N 2.228 3.433 -3.377 . . . 1.0 . . . . . . . . . . . . A . 12 LEU N . . . . . . . . . rr_1id7 1 . 1 . 177 . 1 1 12 LEU O O 0.426 2.826 -6.207 . . . 1.0 . . . . . . . . . . . . A . 12 LEU O . . . . . . . . . rr_1id7 1 . 1 . 178 . 1 1 13 ASP C C -1.801 1.568 -5.765 . . . 1.0 . . . . . . . . . . . . A . 13 ASP C . . . . . . . . . rr_1id7 1 . 1 . 179 . 1 1 13 ASP CA C -1.575 2.187 -4.391 . . . 1.0 . . . . . . . . . . . . A . 13 ASP CA . . . . . . . . . rr_1id7 1 . 1 . 180 . 1 1 13 ASP CB C -2.162 3.597 -4.323 . . . 1.0 . . . . . . . . . . . . A . 13 ASP CB . . . . . . . . . rr_1id7 1 . 1 . 181 . 1 1 13 ASP CG C -3.648 3.581 -4.658 . . . 1.0 . . . . . . . . . . . . A . 13 ASP CG . . . . . . . . . rr_1id7 1 . 1 . 182 . 1 1 13 ASP H H 0.150 2.097 -3.158 . . . 1.0 . . . . . . . . . . . . A . 13 ASP H . . . . . . . . . rr_1id7 1 . 1 . 183 . 1 1 13 ASP HA H -2.060 1.564 -3.637 . . . 1.0 . . . . . . . . . . . . A . 13 ASP HA . . . . . . . . . rr_1id7 1 . 1 . 184 . 1 1 13 ASP HB2 H -2.025 3.992 -3.315 . . . 1.0 . . . . . . . . . . . . A . 13 ASP HB2 . . . . . . . . . rr_1id7 1 . 1 . 185 . 1 1 13 ASP HB3 H -1.640 4.238 -5.034 . . . 1.0 . . . . . . . . . . . . A . 13 ASP HB3 . . . . . . . . . rr_1id7 1 . 1 . 186 . 1 1 13 ASP N N -0.152 2.248 -4.110 . . . 1.0 . . . . . . . . . . . . A . 13 ASP N . . . . . . . . . rr_1id7 1 . 1 . 187 . 1 1 13 ASP O O -2.512 2.141 -6.589 . . . 1.0 . . . . . . . . . . . . A . 13 ASP O . . . . . . . . . rr_1id7 1 . 1 . 188 . 1 1 13 ASP OD1 O -4.250 2.496 -4.504 . . . 1.0 . . . . . . . . . . . . A . 13 ASP OD1 . . . . . . . . . rr_1id7 1 . 1 . 189 . 1 1 13 ASP OD2 O -4.171 4.673 -4.966 . . . 1.0 . . . . . . . . . . . . A . 13 ASP OD2 . . . . . . . . . rr_1id7 1 stop_ save_ ########################### # Constraint Statistics # ########################### save_constraint_statistics _Constraint_stat_list.Sf_framecode constraint_statistics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID rr_1id7 _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 1id7.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 rr_1id7 1 1 1id7.mr . . n/a 2 comment 'Not applicable' 'Not applicable' 0 rr_1id7 1 1 1id7.mr . . EMBOSS 3 distance NOE simple 66 rr_1id7 1 1 1id7.mr . . n/a 4 comment 'Not applicable' 'Not applicable' 0 rr_1id7 1 1 1id7.mr . . 'MR format' 5 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 rr_1id7 1 stop_ save_ save_Emboss_distance_constraints_3 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode Emboss_distance_constraints_3 _Gen_dist_constraint_list.Entry_ID rr_1id7 _Gen_dist_constraint_list.ID 1 _Gen_dist_constraint_list.Constraint_type NOE _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 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_1id7 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 2 2 VAL H H . . . 1 1 3 3 GLN H H . . . . . . 1.9 5.0 . . . . . A . 2 VAL H . . A . 3 GLN H . 1 . 2 VAL HN . . . 1 . 3 GLN HN . . rr_1id7 1 2 1 . . 1 1 11 11 ASP H H . . . 1 1 13 13 ASP H H . . . . . . 1.9 5.0 . . . . . A . 11 ASP H . . A . 13 ASP H . 1 . 11 ASP- HN . . . 1 . 13 ASP- HN . . rr_1id7 1 3 1 . . 1 1 11 11 ASP H H . . . 1 1 4 4 ALA H H . . . . . . 1.9 5.0 . . . . . A . 11 ASP H . . A . 4 ALA H . 1 . 11 ASP- HN . . . 1 . 4 ALA HN . . rr_1id7 1 4 1 . . 1 1 11 11 ASP H H . . . 1 1 10 10 PHE H H . . . . . . 1.9 4.0 . . . . . A . 11 ASP H . . A . 10 PHE H . 1 . 11 ASP- HN . . . 1 . 10 PHE HN . . rr_1id7 1 5 1 . . 1 1 13 13 ASP H H . . . 1 1 10 10 PHE H H . . . . . . 1.9 4.0 . . . . . A . 13 ASP H . . A . 10 PHE H . 1 . 13 ASP- HN . . . 1 . 10 PHE HN . . rr_1id7 1 6 1 . . 1 1 13 13 ASP H H . . . 1 1 14 14 LEU H H . . . . . . 1.9 3.0 . . . . . A . 13 ASP H . . . . . . . . 1 . 13 ASP- HN . . . 1 . 14 LEU HN . . rr_1id7 1 7 1 . . 1 1 3 3 GLN H H . . . 1 1 4 4 ALA H H . . . . . . 1.9 3.0 . . . . . A . 3 GLN H . . A . 4 ALA H . 1 . 3 GLN HN . . . 1 . 4 ALA HN . . rr_1id7 1 8 1 . . 1 1 4 4 ALA H H . . . 1 1 10 10 PHE H H . . . . . . 1.9 4.0 . . . . . A . 4 ALA H . . A . 10 PHE H . 1 . 4 ALA HN . . . 1 . 10 PHE HN . . rr_1id7 1 9 1 . . 1 1 2 2 VAL H H . . . 1 1 1 1 SER HA H . . . . . . 1.9 4.0 . . . . . A . 2 VAL H . . . . . . . . 1 . 2 VAL HN . . . 1 . 1 SER HA . . rr_1id7 1 10 1 . . 1 1 3 3 GLN H H . . . 1 1 1 1 SER HA H . . . . . . 1.9 5.0 . . . . . A . 3 GLN H . . . . . . . . 1 . 3 GLN HN . . . 1 . 1 SER HA . . rr_1id7 1 11 1 . . 1 1 1 1 SER HA H . . . 1 1 2 2 VAL HB H . . . . . . 1.9 5.0 . . . . . . . . . . . . A . 2 VAL HB . 1 . 1 SER HA . . . 1 . 2 VAL HB . . rr_1id7 1 12 1 OR . 1 1 2 2 VAL H H . . . 1 1 1 1 SER HB2 H . . . . . . 1.9 6.0 . . . . . A . 2 VAL H . . . . . . . . 1 . 2 VAL HN . . . 1 . 1 SER HB* . . rr_1id7 1 12 2 OR . 1 1 2 2 VAL H H . . . 1 1 1 1 SER HB3 H . . . . . . 1.9 6.0 . . . . . A . 2 VAL H . . . . . . . . 1 . 2 VAL HN . . . 1 . 1 SER HB* . . rr_1id7 1 13 1 OR . 1 1 3 3 GLN H H . . . 1 1 1 1 SER HB2 H . . . . . . 1.9 6.0 . . . . . A . 3 GLN H . . . . . . . . 1 . 3 GLN HN . . . 1 . 1 SER HB* . . rr_1id7 1 13 2 OR . 1 1 3 3 GLN H H . . . 1 1 1 1 SER HB3 H . . . . . . 1.9 6.0 . . . . . A . 3 GLN H . . . . . . . . 1 . 3 GLN HN . . . 1 . 1 SER HB* . . rr_1id7 1 14 1 OR . 1 1 12 12 LEU H H . . . 1 1 1 1 SER HB2 H . . . . . . 1.9 7.0 . . . . . A . 12 LEU H . . . . . . . . 1 . 12 LEU HN . . . 1 . 1 SER HB* . . rr_1id7 1 14 2 OR . 1 1 1 1 SER HB3 H . . . 1 1 12 12 LEU H H . . . . . . 1.9 7.0 . . . . . . . . . . . . A . 12 LEU H . 1 . 1 SER HB* . . . 1 . 12 LEU HN . . rr_1id7 1 15 1 . . 1 1 3 3 GLN H H . . . 1 1 2 2 VAL HB H . . . . . . 1.9 5.0 . . . . . A . 3 GLN H . . A . 2 VAL HB . 1 . 3 GLN HN . . . 1 . 2 VAL HB* . . rr_1id7 1 16 1 OR . 1 1 4 4 ALA H H . . . 1 1 6 6 TRP HB2 H . . . . . . 1.9 6.0 . . . . . A . 4 ALA H . . A . 6 TRP HB2 . 1 . 4 ALA HN . . . 1 . 6 TRP HB* . . rr_1id7 1 16 2 OR . 1 1 4 4 ALA H H . . . 1 1 6 6 TRP HB3 H . . . . . . 1.9 6.0 . . . . . A . 4 ALA H . . A . 6 TRP HB3 . 1 . 4 ALA HN . . . 1 . 6 TRP HB* . . rr_1id7 1 17 1 OR . 1 1 7 7 GLU H H . . . 1 1 6 6 TRP HB2 H . . . . . . 1.9 5.0 . . . . . A . 7 GLU H . . A . 6 TRP HB2 . 1 . 7 GLU- HN . . . 1 . 6 TRP HB* . . rr_1id7 1 17 2 OR . 1 1 6 6 TRP HB3 H . . . 1 1 7 7 GLU H H . . . . . . 1.9 5.0 . . . . . A . 6 TRP HB3 . . A . 7 GLU H . 1 . 6 TRP HB* . . . 1 . 7 GLU- HN . . rr_1id7 1 18 1 OR . 1 1 11 11 ASP H H . . . 1 1 10 10 PHE HB3 H . . . . . . 1.9 5.0 . . . . . A . 11 ASP H . . A . 10 PHE HB3 . 1 . 11 ASP- HN . . . 1 . 10 PHE HB* . . rr_1id7 1 18 2 OR . 1 1 11 11 ASP H H . . . 1 1 10 10 PHE HB2 H . . . . . . 1.9 5.0 . . . . . A . 11 ASP H . . A . 10 PHE HB2 . 1 . 11 ASP- HN . . . 1 . 10 PHE HB* . . rr_1id7 1 19 1 OR . 1 1 13 13 ASP H H . . . 1 1 10 10 PHE HB3 H . . . . . . 1.9 6.0 . . . . . A . 13 ASP H . . A . 10 PHE HB3 . 1 . 13 ASP- HN . . . 1 . 10 PHE HB* . . rr_1id7 1 19 2 OR . 1 1 13 13 ASP H H . . . 1 1 10 10 PHE HB2 H . . . . . . 1.9 6.0 . . . . . A . 13 ASP H . . A . 10 PHE HB2 . 1 . 13 ASP- HN . . . 1 . 10 PHE HB* . . rr_1id7 1 20 1 OR . 1 1 14 14 LEU H H . . . 1 1 15 15 TYR HB2 H . . . . . . 1.9 6.0 . . . . . . . . . . . . . . . . . . 1 . 14 LEU HN . . . 1 . 15 TYR HB* . . rr_1id7 1 20 2 OR . 1 1 14 14 LEU H H . . . 1 1 15 15 TYR HB3 H . . . . . . 1.9 6.0 . . . . . . . . . . . . . . . . . . 1 . 14 LEU HN . . . 1 . 15 TYR HB* . . rr_1id7 1 21 1 . . 1 1 7 7 GLU H H . . . 1 1 6 6 TRP HE3 H . . . . . . 1.9 4.0 . . . . . A . 7 GLU H . . A . 6 TRP HE3 . 1 . 7 GLU- HN . . . 1 . 6 TRP HE3 . . rr_1id7 1 22 1 . . 1 1 7 7 GLU H H . . . 1 1 6 6 TRP HD1 H . . . . . . 1.9 4.0 . . . . . A . 7 GLU H . . A . 6 TRP HD1 . 1 . 7 GLU- HN . . . 1 . 6 TRP HD1 . . rr_1id7 1 23 1 . . 1 1 3 3 GLN H H . . . 1 1 6 6 TRP HE3 H . . . . . . 1.9 5.0 . . . . . A . 3 GLN H . . A . 6 TRP HE3 . 1 . 3 GLN HN . . . 1 . 6 TRP HE3 . . rr_1id7 1 24 1 . . 1 1 3 3 GLN H H . . . 1 1 6 6 TRP HD1 H . . . . . . 1.9 5.0 . . . . . A . 3 GLN H . . A . 6 TRP HD1 . 1 . 3 GLN HN . . . 1 . 6 TRP HD1 . . rr_1id7 1 25 1 . . 1 1 4 4 ALA H H . . . 1 1 6 6 TRP HE3 H . . . . . . 1.9 4.0 . . . . . A . 4 ALA H . . A . 6 TRP HE3 . 1 . 4 ALA HN . . . 1 . 6 TRP HE3 . . rr_1id7 1 26 1 . . 1 1 4 4 ALA H H . . . 1 1 6 6 TRP HD1 H . . . . . . 1.9 4.0 . . . . . A . 4 ALA H . . A . 6 TRP HD1 . 1 . 4 ALA HN . . . 1 . 6 TRP HD1 . . rr_1id7 1 27 1 . . 1 1 4 4 ALA H H . . . 1 1 6 6 TRP HZ2 H . . . . . . 1.9 5.0 . . . . . A . 4 ALA H . . A . 6 TRP HZ2 . 1 . 4 ALA HN . . . 1 . 6 TRP HZ2 . . rr_1id7 1 28 1 . . 1 1 4 4 ALA H H . . . 1 1 6 6 TRP HH2 H . . . . . . 1.9 6.0 . . . . . A . 4 ALA H . . A . 6 TRP HH2 . 1 . 4 ALA HN . . . 1 . 6 TRP HH2 . . rr_1id7 1 29 1 . . 1 1 4 4 ALA H H . . . 1 1 10 10 PHE QD H . . . . . . 1.9 6.0 . . . . . A . 4 ALA H . . A . 10 PHE QD . 1 . 4 ALA HN . . . 1 . 10 PHE HD* . . rr_1id7 1 30 1 . . 1 1 11 11 ASP H H . . . 1 1 10 10 PHE QD H . . . . . . 1.9 6.0 . . . . . A . 11 ASP H . . A . 10 PHE QD . 1 . 11 ASP- HN . . . 1 . 10 PHE HD* . . rr_1id7 1 31 1 . . 1 1 13 13 ASP H H . . . 1 1 10 10 PHE QD H . . . . . . 1.9 7.0 . . . . . A . 13 ASP H . . A . 10 PHE QD . 1 . 13 ASP- HN . . . 1 . 10 PHE HD* . . rr_1id7 1 32 1 . . 1 1 14 14 LEU H H . . . 1 1 15 15 TYR QD H . . . . . . 1.9 6.0 . . . . . . . . . . . . . . . . . . 1 . 14 LEU HN . . . 1 . 15 TYR HD* . . rr_1id7 1 33 1 OR . 1 1 6 6 TRP HE3 H . . . 1 1 5 5 ARG HD2 H . . . . . . 1.9 6.0 . . . . . A . 6 TRP HE3 . . A . 5 ARG HD2 . 1 . 6 TRP HE3 . . . 1 . 5 ARG+ HD* . . rr_1id7 1 33 2 OR . 1 1 6 6 TRP HE3 H . . . 1 1 5 5 ARG HD3 H . . . . . . 1.9 6.0 . . . . . A . 6 TRP HE3 . . A . 5 ARG HD3 . 1 . 6 TRP HE3 . . . 1 . 5 ARG+ HD* . . rr_1id7 1 34 1 OR . 1 1 6 6 TRP HD1 H . . . 1 1 5 5 ARG HD2 H . . . . . . 1.9 6.0 . . . . . A . 6 TRP HD1 . . A . 5 ARG HD2 . 1 . 6 TRP HD1 . . . 1 . 5 ARG+ HD* . . rr_1id7 1 34 2 OR . 1 1 6 6 TRP HD1 H . . . 1 1 5 5 ARG HD3 H . . . . . . 1.9 6.0 . . . . . A . 6 TRP HD1 . . A . 5 ARG HD3 . 1 . 6 TRP HD1 . . . 1 . 5 ARG+ HD* . . rr_1id7 1 35 1 OR . 1 1 6 6 TRP HE3 H . . . 1 1 7 7 GLU HB2 H . . . . . . 1.9 6.0 . . . . . A . 6 TRP HE3 . . A . 7 GLU HB2 . 1 . 6 TRP HE3 . . . 1 . 7 GLU- HB* . . rr_1id7 1 35 2 OR . 1 1 6 6 TRP HE3 H . . . 1 1 7 7 GLU HB3 H . . . . . . 1.9 6.0 . . . . . A . 6 TRP HE3 . . A . 7 GLU HB3 . 1 . 6 TRP HE3 . . . 1 . 7 GLU- HB* . . rr_1id7 1 36 1 OR . 1 1 6 6 TRP HD1 H . . . 1 1 7 7 GLU HB2 H . . . . . . 1.9 6.0 . . . . . A . 6 TRP HD1 . . A . 7 GLU HB2 . 1 . 6 TRP HD1 . . . 1 . 7 GLU- HB* . . rr_1id7 1 36 2 OR . 1 1 6 6 TRP HD1 H . . . 1 1 7 7 GLU HB3 H . . . . . . 1.9 6.0 . . . . . A . 6 TRP HD1 . . A . 7 GLU HB3 . 1 . 6 TRP HD1 . . . 1 . 7 GLU- HB* . . rr_1id7 1 37 1 OR . 1 1 10 10 PHE QD H . . . 1 1 13 13 ASP HB2 H . . . . . . 1.9 8.0 . . . . . A . 10 PHE QD . . A . 13 ASP HB2 . 1 . 10 PHE HD* . . . 1 . 13 ASP- HB* . . rr_1id7 1 37 2 OR . 1 1 10 10 PHE QD H . . . 1 1 13 13 ASP HB3 H . . . . . . 1.9 8.0 . . . . . A . 10 PHE QD . . A . 13 ASP HB3 . 1 . 10 PHE HD* . . . 1 . 13 ASP- HB* . . rr_1id7 1 38 1 . . 1 1 10 10 PHE QD H . . . 1 1 12 12 LEU HG H . . . . . . 1.9 7.0 . . . . . A . 10 PHE QD . . A . 12 LEU HG . 1 . 10 PHE HD* . . . 1 . 12 LEU HG . . rr_1id7 1 39 1 OR . 1 1 14 14 LEU H H . . . 1 1 5 5 ARG HD2 H . . . . . . 1.9 6.0 . . . . . . . . . . . . A . 5 ARG HD2 . 1 . 14 LEU HN . . . 1 . 5 ARG+ HD* . . rr_1id7 1 39 2 OR . 1 1 14 14 LEU H H . . . 1 1 5 5 ARG HD3 H . . . . . . 1.9 6.0 . . . . . . . . . . . . A . 5 ARG HD3 . 1 . 14 LEU HN . . . 1 . 5 ARG+ HD* . . rr_1id7 1 40 1 . . 1 1 10 10 PHE H H . . . 1 1 12 12 LEU HG H . . . . . . 1.9 5.0 . . . . . A . 10 PHE H . . A . 12 LEU HG . 1 . 10 PHE HN . . . 1 . 12 LEU HG . . rr_1id7 1 41 1 . . 1 1 11 11 ASP H H . . . 1 1 12 12 LEU HG H . . . . . . 1.9 5.0 . . . . . A . 11 ASP H . . A . 12 LEU HG . 1 . 11 ASP- HN . . . 1 . 12 LEU HG . . rr_1id7 1 42 1 . . 1 1 13 13 ASP H H . . . 1 1 12 12 LEU HG H . . . . . . 1.9 4.0 . . . . . A . 13 ASP H . . A . 12 LEU HG . 1 . 13 ASP- HN . . . 1 . 12 LEU HG . . rr_1id7 1 43 1 . . 1 1 13 13 ASP H H . . . 1 1 14 14 LEU HG H . . . . . . 1.9 5.0 . . . . . A . 13 ASP H . . . . . . . . 1 . 13 ASP- HN . . . 1 . 14 LEU HG . . rr_1id7 1 44 1 OR . 1 1 4 4 ALA H H . . . 1 1 2 2 VAL MG1 H . . . . . . 1.9 9.0 . . . . . A . 4 ALA H . . A . 2 VAL MG1 . 1 . 4 ALA HN . . . 1 . 2 VAL HG* . . rr_1id7 1 44 2 OR . 1 1 4 4 ALA H H . . . 1 1 2 2 VAL MG2 H . . . . . . 1.9 9.0 . . . . . A . 4 ALA H . . A . 2 VAL MG2 . 1 . 4 ALA HN . . . 1 . 2 VAL HG* . . rr_1id7 1 45 1 OR . 1 1 3 3 GLN H H . . . 1 1 2 2 VAL MG1 H . . . . . . 1.9 8.0 . . . . . A . 3 GLN H . . A . 2 VAL MG1 . 1 . 3 GLN HN . . . 1 . 2 VAL HG* . . rr_1id7 1 45 2 OR . 1 1 3 3 GLN H H . . . 1 1 2 2 VAL MG2 H . . . . . . 1.9 8.0 . . . . . A . 3 GLN H . . A . 2 VAL MG2 . 1 . 3 GLN HN . . . 1 . 2 VAL HG* . . rr_1id7 1 46 1 OR . 1 1 2 2 VAL H H . . . 1 1 12 12 LEU MD1 H . . . . . . 1.9 9.0 . . . . . A . 2 VAL H . . A . 12 LEU MD1 . 1 . 2 VAL HN . . . 1 . 12 LEU HD* . . rr_1id7 1 46 2 OR . 1 1 2 2 VAL H H . . . 1 1 12 12 LEU MD2 H . . . . . . 1.9 9.0 . . . . . A . 2 VAL H . . A . 12 LEU MD2 . 1 . 2 VAL HN . . . 1 . 12 LEU HD* . . rr_1id7 1 47 1 OR . 1 1 3 3 GLN H H . . . 1 1 12 12 LEU MD1 H . . . . . . 1.9 8.0 . . . . . A . 3 GLN H . . A . 12 LEU MD1 . 1 . 3 GLN HN . . . 1 . 12 LEU HD* . . rr_1id7 1 47 2 OR . 1 1 3 3 GLN H H . . . 1 1 12 12 LEU MD2 H . . . . . . 1.9 8.0 . . . . . A . 3 GLN H . . A . 12 LEU MD2 . 1 . 3 GLN HN . . . 1 . 12 LEU HD* . . rr_1id7 1 48 1 OR . 1 1 4 4 ALA H H . . . 1 1 12 12 LEU MD1 H . . . . . . 1.9 9.0 . . . . . A . 4 ALA H . . A . 12 LEU MD1 . 1 . 4 ALA HN . . . 1 . 12 LEU HD* . . rr_1id7 1 48 2 OR . 1 1 4 4 ALA H H . . . 1 1 12 12 LEU MD2 H . . . . . . 1.9 9.0 . . . . . A . 4 ALA H . . A . 12 LEU MD2 . 1 . 4 ALA HN . . . 1 . 12 LEU HD* . . rr_1id7 1 49 1 OR . 1 1 10 10 PHE H H . . . 1 1 12 12 LEU MD1 H . . . . . . 1.9 8.0 . . . . . A . 10 PHE H . . A . 12 LEU MD1 . 1 . 10 PHE HN . . . 1 . 12 LEU HD* . . rr_1id7 1 49 2 OR . 1 1 10 10 PHE H H . . . 1 1 12 12 LEU MD2 H . . . . . . 1.9 8.0 . . . . . A . 10 PHE H . . A . 12 LEU MD2 . 1 . 10 PHE HN . . . 1 . 12 LEU HD* . . rr_1id7 1 50 1 OR . 1 1 11 11 ASP HB3 H . . . 1 1 10 10 PHE HB3 H . . . . . . 1.9 6.0 . . . . . A . 11 ASP HB3 . . A . 10 PHE HB3 . 1 . 11 ASP- HB* . . . 1 . 10 PHE HB1 . . rr_1id7 1 50 2 OR . 1 1 10 10 PHE HB3 H . . . 1 1 11 11 ASP HB2 H . . . . . . 1.9 6.0 . . . . . A . 10 PHE HB3 . . A . 11 ASP HB2 . 1 . 10 PHE HB1 . . . 1 . 11 ASP- HB* . . rr_1id7 1 51 1 OR . 1 1 13 13 ASP HB3 H . . . 1 1 10 10 PHE HB3 H . . . . . . 1.9 6.0 . . . . . A . 13 ASP HB3 . . A . 10 PHE HB3 . 1 . 13 ASP- HB* . . . 1 . 10 PHE HB1 . . rr_1id7 1 51 2 OR . 1 1 10 10 PHE HB3 H . . . 1 1 13 13 ASP HB2 H . . . . . . 1.9 6.0 . . . . . A . 10 PHE HB3 . . A . 13 ASP HB2 . 1 . 10 PHE HB1 . . . 1 . 13 ASP- HB* . . rr_1id7 1 52 1 OR . 1 1 10 10 PHE HB2 H . . . 1 1 11 11 ASP HB3 H . . . . . . 1.9 6.0 . . . . . A . 10 PHE HB2 . . A . 11 ASP HB3 . 1 . 10 PHE HB2 . . . 1 . 11 ASP- HB* . . rr_1id7 1 52 2 OR . 1 1 10 10 PHE HB2 H . . . 1 1 11 11 ASP HB2 H . . . . . . 1.9 6.0 . . . . . A . 10 PHE HB2 . . A . 11 ASP HB2 . 1 . 10 PHE HB2 . . . 1 . 11 ASP- HB* . . rr_1id7 1 53 1 OR . 1 1 3 3 GLN HB3 H . . . 1 1 5 5 ARG HD2 H . . . . . . 1.9 7.0 . . . . . A . 3 GLN HB3 . . A . 5 ARG HD2 . 1 . 3 GLN HB* . . . 1 . 5 ARG+ HD* . . rr_1id7 1 53 2 OR . 1 1 3 3 GLN HB2 H . . . 1 1 5 5 ARG HD2 H . . . . . . 1.9 7.0 . . . . . A . 3 GLN HB2 . . A . 5 ARG HD2 . 1 . 3 GLN HB* . . . 1 . 5 ARG+ HD* . . rr_1id7 1 53 3 OR . 1 1 5 5 ARG HD3 H . . . 1 1 3 3 GLN HB2 H . . . . . . 1.9 7.0 . . . . . A . 5 ARG HD3 . . A . 3 GLN HB2 . 1 . 5 ARG+ HD* . . . 1 . 3 GLN HB* . . rr_1id7 1 53 4 OR . 1 1 5 5 ARG HD3 H . . . 1 1 3 3 GLN HB3 H . . . . . . 1.9 7.0 . . . . . A . 5 ARG HD3 . . A . 3 GLN HB3 . 1 . 5 ARG+ HD* . . . 1 . 3 GLN HB* . . rr_1id7 1 54 1 OR . 1 1 12 12 LEU HG H . . . 1 1 10 10 PHE HB3 H . . . . . . 1.9 6.0 . . . . . A . 12 LEU HG . . A . 10 PHE HB3 . 1 . 12 LEU HG . . . 1 . 10 PHE HB* . . rr_1id7 1 54 2 OR . 1 1 10 10 PHE HB2 H . . . 1 1 12 12 LEU HG H . . . . . . 1.9 6.0 . . . . . A . 10 PHE HB2 . . A . 12 LEU HG . 1 . 10 PHE HB* . . . 1 . 12 LEU HG . . rr_1id7 1 55 1 OR . 1 1 3 3 GLN HB3 H . . . 1 1 6 6 TRP HB2 H . . . . . . 1.9 7.0 . . . . . A . 3 GLN HB3 . . A . 6 TRP HB2 . 1 . 3 GLN HB* . . . 1 . 6 TRP HB* . . rr_1id7 1 55 2 OR . 1 1 3 3 GLN HB2 H . . . 1 1 6 6 TRP HB2 H . . . . . . 1.9 7.0 . . . . . A . 3 GLN HB2 . . A . 6 TRP HB2 . 1 . 3 GLN HB* . . . 1 . 6 TRP HB* . . rr_1id7 1 55 3 OR . 1 1 6 6 TRP HB3 H . . . 1 1 3 3 GLN HB2 H . . . . . . 1.9 7.0 . . . . . A . 6 TRP HB3 . . A . 3 GLN HB2 . 1 . 6 TRP HB* . . . 1 . 3 GLN HB* . . rr_1id7 1 55 4 OR . 1 1 6 6 TRP HB3 H . . . 1 1 3 3 GLN HB3 H . . . . . . 1.9 7.0 . . . . . A . 6 TRP HB3 . . A . 3 GLN HB3 . 1 . 6 TRP HB* . . . 1 . 3 GLN HB* . . rr_1id7 1 56 1 OR . 1 1 6 6 TRP HB3 H . . . 1 1 7 7 GLU HB2 H . . . . . . 1.9 7.0 . . . . . A . 6 TRP HB3 . . A . 7 GLU HB2 . 1 . 6 TRP HB* . . . 1 . 7 GLU- HB* . . rr_1id7 1 56 2 OR . 1 1 7 7 GLU HB3 H . . . 1 1 6 6 TRP HB2 H . . . . . . 1.9 7.0 . . . . . A . 7 GLU HB3 . . A . 6 TRP HB2 . 1 . 7 GLU- HB* . . . 1 . 6 TRP HB* . . rr_1id7 1 56 3 OR . 1 1 6 6 TRP HB3 H . . . 1 1 7 7 GLU HB3 H . . . . . . 1.9 7.0 . . . . . A . 6 TRP HB3 . . A . 7 GLU HB3 . 1 . 6 TRP HB* . . . 1 . 7 GLU- HB* . . rr_1id7 1 56 4 OR . 1 1 6 6 TRP HB2 H . . . 1 1 7 7 GLU HB2 H . . . . . . 1.9 7.0 . . . . . A . 6 TRP HB2 . . A . 7 GLU HB2 . 1 . 6 TRP HB* . . . 1 . 7 GLU- HB* . . rr_1id7 1 57 1 OR . 1 1 14 14 LEU HB2 H . . . 1 1 15 15 TYR HB2 H . . . . . . 1.9 7.0 . . . . . . . . . . . . . . . . . . 1 . 14 LEU HB* . . . 1 . 15 TYR HB* . . rr_1id7 1 57 2 OR . 1 1 14 14 LEU HB3 H . . . 1 1 15 15 TYR HB2 H . . . . . . 1.9 7.0 . . . . . . . . . . . . . . . . . . 1 . 14 LEU HB* . . . 1 . 15 TYR HB* . . rr_1id7 1 57 3 OR . 1 1 15 15 TYR HB3 H . . . 1 1 14 14 LEU HB2 H . . . . . . 1.9 7.0 . . . . . . . . . . . . . . . . . . 1 . 15 TYR HB* . . . 1 . 14 LEU HB* . . rr_1id7 1 57 4 OR . 1 1 15 15 TYR HB3 H . . . 1 1 14 14 LEU HB3 H . . . . . . 1.9 7.0 . . . . . . . . . . . . . . . . . . 1 . 15 TYR HB* . . . 1 . 14 LEU HB* . . rr_1id7 1 58 1 OR . 1 1 12 12 LEU HG H . . . 1 1 10 10 PHE HB3 H . . . . . . 1.9 6.0 . . . . . A . 12 LEU HG . . A . 10 PHE HB3 . 1 . 12 LEU HG . . . 1 . 10 PHE HB* . . rr_1id7 1 58 2 OR . 1 1 10 10 PHE HB2 H . . . 1 1 12 12 LEU HG H . . . . . . 1.9 6.0 . . . . . A . 10 PHE HB2 . . A . 12 LEU HG . 1 . 10 PHE HB* . . . 1 . 12 LEU HG . . rr_1id7 1 59 1 OR . 1 1 14 14 LEU HG H . . . 1 1 13 13 ASP HB2 H . . . . . . 1.9 6.0 . . . . . . . . . . . . A . 13 ASP HB2 . 1 . 14 LEU HG . . . 1 . 13 ASP- HB* . . rr_1id7 1 59 2 OR . 1 1 13 13 ASP HB3 H . . . 1 1 14 14 LEU HG H . . . . . . 1.9 6.0 . . . . . A . 13 ASP HB3 . . . . . . . . 1 . 13 ASP- HB* . . . 1 . 14 LEU HG . . rr_1id7 1 60 1 . . 1 1 2 2 VAL HB H . . . 1 1 12 12 LEU HG H . . . . . . 1.9 4.0 . . . . . A . 2 VAL HB . . A . 12 LEU HG . 1 . 2 VAL HB . . . 1 . 12 LEU HG . . rr_1id7 1 61 1 OR . 1 1 9 9 ALA MB H . . . 1 1 10 10 PHE HB3 H . . . . . . 1.9 6.0 . . . . . A . 9 ALA MB . . A . 10 PHE HB3 . 1 . 9 ALA HB* . . . 1 . 10 PHE HB* . . rr_1id7 1 61 2 OR . 1 1 10 10 PHE HB2 H . . . 1 1 9 9 ALA MB H . . . . . . 1.9 6.0 . . . . . A . 10 PHE HB2 . . A . 9 ALA MB . 1 . 10 PHE HB* . . . 1 . 9 ALA HB* . . rr_1id7 1 62 1 OR . 1 1 4 4 ALA MB H . . . 1 1 6 6 TRP HB2 H . . . . . . 1.9 6.0 . . . . . A . 4 ALA MB . . A . 6 TRP HB2 . 1 . 4 ALA HB* . . . 1 . 6 TRP HB* . . rr_1id7 1 62 2 OR . 1 1 6 6 TRP HB3 H . . . 1 1 4 4 ALA MB H . . . . . . 1.9 6.0 . . . . . A . 6 TRP HB3 . . A . 4 ALA MB . 1 . 6 TRP HB* . . . 1 . 4 ALA HB* . . rr_1id7 1 63 1 OR . 1 1 5 5 ARG HD3 H . . . 1 1 12 12 LEU MD1 H . . . . . . 1.9 8.0 . . . . . A . 5 ARG HD3 . . A . 12 LEU MD1 . 1 . 5 ARG+ HD* . . . 1 . 12 LEU HD* . . rr_1id7 1 63 2 OR . 1 1 5 5 ARG HD2 H . . . 1 1 12 12 LEU MD1 H . . . . . . 1.9 8.0 . . . . . A . 5 ARG HD2 . . A . 12 LEU MD1 . 1 . 5 ARG+ HD* . . . 1 . 12 LEU HD* . . rr_1id7 1 63 3 OR . 1 1 12 12 LEU MD2 H . . . 1 1 5 5 ARG HD2 H . . . . . . 1.9 8.0 . . . . . A . 12 LEU MD2 . . A . 5 ARG HD2 . 1 . 12 LEU HD* . . . 1 . 5 ARG+ HD* . . rr_1id7 1 63 4 OR . 1 1 5 5 ARG HD3 H . . . 1 1 12 12 LEU MD2 H . . . . . . 1.9 8.0 . . . . . A . 5 ARG HD3 . . A . 12 LEU MD2 . 1 . 5 ARG+ HD* . . . 1 . 12 LEU HD* . . rr_1id7 1 64 1 OR . 1 1 5 5 ARG HD3 H . . . 1 1 14 14 LEU MD1 H . . . . . . 1.9 9.0 . . . . . A . 5 ARG HD3 . . . . . . . . 1 . 5 ARG+ HD* . . . 1 . 14 LEU HD* . . rr_1id7 1 64 2 OR . 1 1 5 5 ARG HD2 H . . . 1 1 14 14 LEU MD1 H . . . . . . 1.9 9.0 . . . . . A . 5 ARG HD2 . . . . . . . . 1 . 5 ARG+ HD* . . . 1 . 14 LEU HD* . . rr_1id7 1 64 3 OR . 1 1 14 14 LEU MD2 H . . . 1 1 5 5 ARG HD2 H . . . . . . 1.9 9.0 . . . . . . . . . . . . A . 5 ARG HD2 . 1 . 14 LEU HD* . . . 1 . 5 ARG+ HD* . . rr_1id7 1 64 4 OR . 1 1 5 5 ARG HD3 H . . . 1 1 14 14 LEU MD2 H . . . . . . 1.9 9.0 . . . . . A . 5 ARG HD3 . . . . . . . . 1 . 5 ARG+ HD* . . . 1 . 14 LEU HD* . . rr_1id7 1 65 1 OR . 1 1 9 9 ALA MB H . . . 1 1 12 12 LEU MD1 H . . . . . . 1.9 8.0 . . . . . A . 9 ALA MB . . A . 12 LEU MD1 . 1 . 9 ALA HB* . . . 1 . 12 LEU HD* . . rr_1id7 1 65 2 OR . 1 1 12 12 LEU MD2 H . . . 1 1 9 9 ALA MB H . . . . . . 1.9 8.0 . . . . . A . 12 LEU MD2 . . A . 9 ALA MB . 1 . 12 LEU HD* . . . 1 . 9 ALA HB* . . rr_1id7 1 66 1 OR . 1 1 9 9 ALA MB H . . . 1 1 2 2 VAL MG1 H . . . . . . 1.9 9.0 . . . . . A . 9 ALA MB . . A . 2 VAL MG1 . 1 . 9 ALA HB* . . . 1 . 2 VAL HG* . . rr_1id7 1 66 2 OR . 1 1 2 2 VAL MG2 H . . . 1 1 9 9 ALA MB H . . . . . . 1.9 9.0 . . . . . A . 2 VAL MG2 . . A . 9 ALA MB . 1 . 2 VAL HG* . . . 1 . 9 ALA HB* . . rr_1id7 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 'HN - HN' 1 1 1 10 rr_1id7 1 2 W 2 68 2 70 rr_1id7 1 3 W 3 68 3 70 rr_1id7 1 4 W 4 68 4 70 rr_1id7 1 5 M 5 68 5 70 rr_1id7 1 6 M 6 68 6 70 rr_1id7 1 7 S 7 68 7 70 rr_1id7 1 8 S 8 68 8 75 rr_1id7 1 9 ; M HA - HN ; 9 68 10 10 rr_1id7 1 10 M 11 68 11 70 rr_1id7 1 11 ; W HA - HB ; 12 68 13 10 rr_1id7 1 12 ; W HB - HN corrcted ; 14 68 15 19 rr_1id7 1 13 'W +1' 16 68 16 73 rr_1id7 1 14 'W +1' 17 68 17 73 rr_1id7 1 15 'VW +1' 18 68 18 74 rr_1id7 1 16 'M +1' 19 68 19 73 rr_1id7 1 17 'W +1' 20 68 20 73 rr_1id7 1 18 'M +1' 21 68 21 73 rr_1id7 1 19 'M +1' 22 68 22 73 rr_1id7 1 20 'W +1' 23 68 23 73 rr_1id7 1 21 ; W +1 H_AROMA - HN corrcted ; 24 68 25 24 rr_1id7 1 22 M 26 68 26 70 rr_1id7 1 23 M 27 68 27 70 rr_1id7 1 24 W 28 68 28 70 rr_1id7 1 25 W 29 68 29 70 rr_1id7 1 26 M 30 68 30 70 rr_1id7 1 27 M 31 68 31 70 rr_1id7 1 28 W 32 68 32 70 rr_1id7 1 29 VW 33 68 33 71 rr_1id7 1 30 'M +2' 34 68 34 73 rr_1id7 1 31 'M +2' 35 68 35 73 rr_1id7 1 32 'W +2' 36 68 36 73 rr_1id7 1 33 ; M +2 HX - H_AROMA corrcted ; 37 68 38 24 rr_1id7 1 34 'W +1' 39 68 39 73 rr_1id7 1 35 'W +1' 40 68 40 73 rr_1id7 1 36 'W +1' 41 68 41 73 rr_1id7 1 37 'W +1' 42 68 42 73 rr_1id7 1 38 'W +3' 43 68 43 73 rr_1id7 1 39 ; W +2 HX - HN corrcted ; 44 68 45 19 rr_1id7 1 40 'W +1' 46 68 46 73 rr_1id7 1 41 W 47 68 47 70 rr_1id7 1 42 W 48 68 48 70 rr_1id7 1 43 M 49 68 49 70 rr_1id7 1 44 W 50 68 50 70 rr_1id7 1 45 'W +4' 51 68 51 73 rr_1id7 1 46 'M +4' 52 68 52 73 rr_1id7 1 47 'W +4' 53 68 53 73 rr_1id7 1 48 'M +4' 54 68 54 73 rr_1id7 1 49 'W +4' 55 68 55 73 rr_1id7 1 50 ; M +4 HB - HB corrected ; 56 68 57 20 rr_1id7 1 51 'W +1' 58 68 58 73 rr_1id7 1 52 'W +1' 59 68 59 73 rr_1id7 1 53 'W +1' 60 68 60 73 rr_1id7 1 54 'W +2' 61 68 61 73 rr_1id7 1 55 'W +1' 62 68 62 73 rr_1id7 1 56 'W +2' 63 68 63 73 rr_1id7 1 57 'W +2' 64 68 64 73 rr_1id7 1 58 'W +2' 65 68 65 73 rr_1id7 1 59 'W +1' 66 68 66 73 rr_1id7 1 60 'W +1' 67 68 67 73 rr_1id7 1 61 M 68 68 68 70 rr_1id7 1 62 'M +2' 69 68 69 73 rr_1id7 1 63 'M +2' 70 68 70 73 rr_1id7 1 64 'M +4' 71 68 71 73 rr_1id7 1 65 'W +4' 72 68 72 73 rr_1id7 1 66 'M +4' 73 68 73 73 rr_1id7 1 67 'W +4' 74 68 74 73 rr_1id7 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_1id7 _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 ANTIVIRAL PROTEIN 04-APR-01 1ID7 *TITLE SOLUTION STRUCTURE OF SYR6 *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: SYR6; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 OTHER_DETAILS: CHEMICALLY SYNTHESIZED *KEYWDS SYR6 *EXPDTA NMR, MINIMIZED AVERAGE STRUCTURE *AUTHOR A.SATO, K.KAWAGUCHI, K.KIMURA, R.TANIMURA, S.SONE *REVDAT 1 04-APR-02 1ID7 0' save_ save_MR_file_comment_4 _Org_constr_file_comment.Sf_framecode MR_file_comment_4 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID rr_1id7 _Org_constr_file_comment.ID 3 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 4 _Org_constr_file_comment.Details 'Generated by Wattos' _Org_constr_file_comment.Comment 'END RDDSTC> STOP' save_ save_MR_file_comment_2 _Org_constr_file_comment.Sf_framecode MR_file_comment_2 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID rr_1id7 _Org_constr_file_comment.ID 2 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 2 _Org_constr_file_comment.Details 'Generated by Wattos' _Org_constr_file_comment.Comment 'RDDSTC> LIST' save_