data_Remediated_restraints_file_for_PDB_entry_1t2y # This BMRB archive file contains, for PDB entry 1t2y: # # - 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_1t2y _Entry.Title 'wwPDB remediated NMR restraints for PDB entry 1t2y' _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 1t2y' _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 1t2y 'Master copy' rr_1t2y stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID rr_1t2y _Assembly.ID 1 _Assembly.Name 1t2y _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 2234.39 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 Metallothionein 1 $Metallothionein A . no . . . . . . rr_1t2y 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Metallothionein _Entity.Sf_category entity _Entity.Sf_framecode Metallothionein _Entity.Entry_ID rr_1t2y _Entity.ID 1 _Entity.Name Metallothionein _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code ; GDCGCSGASSCNCGSGCSCS NCGSK ; _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 25 _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Parent_entity_ID 1 _Entity.Formula_weight 2234.39 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_1t2y 1 2 . ASP . rr_1t2y 1 3 . CYS . rr_1t2y 1 4 . GLY . rr_1t2y 1 5 . CYS . rr_1t2y 1 6 . SER . rr_1t2y 1 7 . GLY . rr_1t2y 1 8 . ALA . rr_1t2y 1 9 . SER . rr_1t2y 1 10 . SER . rr_1t2y 1 11 . CYS . rr_1t2y 1 12 . ASN . rr_1t2y 1 13 . CYS . rr_1t2y 1 14 . GLY . rr_1t2y 1 15 . SER . rr_1t2y 1 16 . GLY . rr_1t2y 1 17 . CYS . rr_1t2y 1 18 . SER . rr_1t2y 1 19 . CYS . rr_1t2y 1 20 . SER . rr_1t2y 1 21 . ASN . rr_1t2y 1 22 . CYS . rr_1t2y 1 23 . GLY . rr_1t2y 1 24 . SER . rr_1t2y 1 25 . LYS . rr_1t2y 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_1t2y 1 . ASP 2 2 rr_1t2y 1 . CYS 3 3 rr_1t2y 1 . GLY 4 4 rr_1t2y 1 . CYS 5 5 rr_1t2y 1 . SER 6 6 rr_1t2y 1 . GLY 7 7 rr_1t2y 1 . ALA 8 8 rr_1t2y 1 . SER 9 9 rr_1t2y 1 . SER 10 10 rr_1t2y 1 . CYS 11 11 rr_1t2y 1 . ASN 12 12 rr_1t2y 1 . CYS 13 13 rr_1t2y 1 . GLY 14 14 rr_1t2y 1 . SER 15 15 rr_1t2y 1 . GLY 16 16 rr_1t2y 1 . CYS 17 17 rr_1t2y 1 . SER 18 18 rr_1t2y 1 . CYS 19 19 rr_1t2y 1 . SER 20 20 rr_1t2y 1 . ASN 21 21 rr_1t2y 1 . CYS 22 22 rr_1t2y 1 . GLY 23 23 rr_1t2y 1 . SER 24 24 rr_1t2y 1 . LYS 25 25 rr_1t2y 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_1t2y _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_1t2y _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_1t2y 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_1t2y 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 -7.764 -4.726 1.575 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . rr_1t2y 1 . 1 . 2 . 1 1 1 GLY CA C -7.588 -6.064 2.295 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . rr_1t2y 1 . 1 . 3 . 1 1 1 GLY H1 H -7.014 -6.541 4.240 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . rr_1t2y 1 . 1 . 4 . 1 1 1 GLY H2 H -6.832 -4.899 3.846 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . rr_1t2y 1 . 1 . 5 . 1 1 1 GLY H3 H -5.734 -6.046 3.243 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . rr_1t2y 1 . 1 . 6 . 1 1 1 GLY HA2 H -7.121 -6.775 1.629 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . rr_1t2y 1 . 1 . 7 . 1 1 1 GLY HA3 H -8.554 -6.435 2.600 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . rr_1t2y 1 . 1 . 8 . 1 1 1 GLY N N -6.727 -5.873 3.497 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . rr_1t2y 1 . 1 . 9 . 1 1 1 GLY O O -8.853 -4.362 1.179 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . rr_1t2y 1 . 1 . 10 . 1 1 2 ASP C C -7.680 -1.720 1.525 . . . 1.0 . . . . . . . . . . . . A . 2 ASP C . . . . . . . . . rr_1t2y 1 . 1 . 11 . 1 1 2 ASP CA C -6.811 -2.674 0.706 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CA . . . . . . . . . rr_1t2y 1 . 1 . 12 . 1 1 2 ASP CB C -7.483 -2.981 -0.631 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CB . . . . . . . . . rr_1t2y 1 . 1 . 13 . 1 1 2 ASP CG C -6.904 -4.271 -1.223 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CG . . . . . . . . . rr_1t2y 1 . 1 . 14 . 1 1 2 ASP H H -5.830 -4.300 1.729 . . . 1.0 . . . . . . . . . . . . A . 2 ASP H . . . . . . . . . rr_1t2y 1 . 1 . 15 . 1 1 2 ASP HA H -5.835 -2.250 0.540 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HA . . . . . . . . . rr_1t2y 1 . 1 . 16 . 1 1 2 ASP HB2 H -8.545 -3.096 -0.476 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB2 . . . . . . . . . rr_1t2y 1 . 1 . 17 . 1 1 2 ASP HB3 H -7.308 -2.166 -1.312 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB3 . . . . . . . . . rr_1t2y 1 . 1 . 18 . 1 1 2 ASP N N -6.700 -3.990 1.401 . . . 1.0 . . . . . . . . . . . . A . 2 ASP N . . . . . . . . . rr_1t2y 1 . 1 . 19 . 1 1 2 ASP O O -8.825 -2.008 1.813 . . . 1.0 . . . . . . . . . . . . A . 2 ASP O . . . . . . . . . rr_1t2y 1 . 1 . 20 . 1 1 2 ASP OD1 O -5.717 -4.497 -1.055 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD1 . . . . . . . . . rr_1t2y 1 . 1 . 21 . 1 1 2 ASP OD2 O -7.659 -5.009 -1.835 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD2 . . . . . . . . . rr_1t2y 1 . 1 . 22 . 1 1 3 CYS C C -7.042 1.444 3.324 . . . 1.0 . . . . . . . . . . . . A . 3 CYS C . . . . . . . . . rr_1t2y 1 . 1 . 23 . 1 1 3 CYS CA C -7.954 0.379 2.718 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CA . . . . . . . . . rr_1t2y 1 . 1 . 24 . 1 1 3 CYS CB C -8.579 -0.457 3.833 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CB . . . . . . . . . rr_1t2y 1 . 1 . 25 . 1 1 3 CYS H H -6.223 -0.370 1.667 . . . 1.0 . . . . . . . . . . . . A . 3 CYS H . . . . . . . . . rr_1t2y 1 . 1 . 26 . 1 1 3 CYS HA H -8.725 0.833 2.117 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HA . . . . . . . . . rr_1t2y 1 . 1 . 27 . 1 1 3 CYS HB2 H -8.213 -1.470 3.767 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB2 . . . . . . . . . rr_1t2y 1 . 1 . 28 . 1 1 3 CYS HB3 H -8.304 -0.038 4.788 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB3 . . . . . . . . . rr_1t2y 1 . 1 . 29 . 1 1 3 CYS HG H -10.651 -1.310 3.334 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HG . . . . . . . . . rr_1t2y 1 . 1 . 30 . 1 1 3 CYS N N -7.150 -0.587 1.909 . . . 1.0 . . . . . . . . . . . . A . 3 CYS N . . . . . . . . . rr_1t2y 1 . 1 . 31 . 1 1 3 CYS O O -6.818 1.476 4.517 . . . 1.0 . . . . . . . . . . . . A . 3 CYS O . . . . . . . . . rr_1t2y 1 . 1 . 32 . 1 1 3 CYS SG S -10.380 -0.449 3.661 . . . 1.0 . . . . . . . . . . . . A . 3 CYS SG . . . . . . . . . rr_1t2y 1 . 1 . 33 . 1 1 4 GLY C C -4.632 3.731 1.945 . . . 1.0 . . . . . . . . . . . . A . 4 GLY C . . . . . . . . . rr_1t2y 1 . 1 . 34 . 1 1 4 GLY CA C -5.593 3.350 3.051 . . . 1.0 . . . . . . . . . . . . A . 4 GLY CA . . . . . . . . . rr_1t2y 1 . 1 . 35 . 1 1 4 GLY H H -6.677 2.263 1.545 . . . 1.0 . . . . . . . . . . . . A . 4 GLY H . . . . . . . . . rr_1t2y 1 . 1 . 36 . 1 1 4 GLY HA2 H -6.165 4.212 3.359 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA2 . . . . . . . . . rr_1t2y 1 . 1 . 37 . 1 1 4 GLY HA3 H -5.037 2.957 3.889 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA3 . . . . . . . . . rr_1t2y 1 . 1 . 38 . 1 1 4 GLY N N -6.501 2.306 2.516 . . . 1.0 . . . . . . . . . . . . A . 4 GLY N . . . . . . . . . rr_1t2y 1 . 1 . 39 . 1 1 4 GLY O O -4.022 4.782 1.956 . . . 1.0 . . . . . . . . . . . . A . 4 GLY O . . . . . . . . . rr_1t2y 1 . 1 . 40 . 1 1 5 CYS C C -4.244 4.115 -1.118 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . rr_1t2y 1 . 1 . 41 . 1 1 5 CYS CA C -3.598 3.147 -0.144 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . rr_1t2y 1 . 1 . 42 . 1 1 5 CYS CB C -3.401 1.800 -0.817 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . rr_1t2y 1 . 1 . 43 . 1 1 5 CYS H H -5.003 2.036 0.995 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . rr_1t2y 1 . 1 . 44 . 1 1 5 CYS HA H -2.653 3.527 0.207 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . rr_1t2y 1 . 1 . 45 . 1 1 5 CYS HB2 H -3.849 1.029 -0.207 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . rr_1t2y 1 . 1 . 46 . 1 1 5 CYS HB3 H -3.876 1.816 -1.786 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . rr_1t2y 1 . 1 . 47 . 1 1 5 CYS HG H -1.185 1.791 -0.223 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HG . . . . . . . . . rr_1t2y 1 . 1 . 48 . 1 1 5 CYS N N -4.501 2.871 0.980 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . rr_1t2y 1 . 1 . 49 . 1 1 5 CYS O O -5.098 3.759 -1.902 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . rr_1t2y 1 . 1 . 50 . 1 1 5 CYS SG S -1.632 1.479 -1.014 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . rr_1t2y 1 . 1 . 51 . 1 1 6 SER C C -3.830 5.992 -3.480 . . . 1.0 . . . . . . . . . . . . A . 6 SER C . . . . . . . . . rr_1t2y 1 . 1 . 52 . 1 1 6 SER CA C -4.357 6.317 -2.073 . . . 1.0 . . . . . . . . . . . . A . 6 SER CA . . . . . . . . . rr_1t2y 1 . 1 . 53 . 1 1 6 SER CB C -3.822 7.665 -1.599 . . . 1.0 . . . . . . . . . . . . A . 6 SER CB . . . . . . . . . rr_1t2y 1 . 1 . 54 . 1 1 6 SER H H -3.104 5.577 -0.488 . . . 1.0 . . . . . . . . . . . . A . 6 SER H . . . . . . . . . rr_1t2y 1 . 1 . 55 . 1 1 6 SER HA H -5.436 6.312 -2.056 . . . 1.0 . . . . . . . . . . . . A . 6 SER HA . . . . . . . . . rr_1t2y 1 . 1 . 56 . 1 1 6 SER HB2 H -2.985 7.508 -0.940 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB2 . . . . . . . . . rr_1t2y 1 . 1 . 57 . 1 1 6 SER HB3 H -3.501 8.243 -2.455 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB3 . . . . . . . . . rr_1t2y 1 . 1 . 58 . 1 1 6 SER HG H -4.460 8.737 -0.106 . . . 1.0 . . . . . . . . . . . . A . 6 SER HG . . . . . . . . . rr_1t2y 1 . 1 . 59 . 1 1 6 SER N N -3.810 5.327 -1.109 . . . 1.0 . . . . . . . . . . . . A . 6 SER N . . . . . . . . . rr_1t2y 1 . 1 . 60 . 1 1 6 SER O O -3.964 6.772 -4.401 . . . 1.0 . . . . . . . . . . . . A . 6 SER O . . . . . . . . . rr_1t2y 1 . 1 . 61 . 1 1 6 SER OG O -4.847 8.358 -0.899 . . . 1.0 . . . . . . . . . . . . A . 6 SER OG . . . . . . . . . rr_1t2y 1 . 1 . 62 . 1 1 7 GLY C C -2.744 2.922 -5.071 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . rr_1t2y 1 . 1 . 63 . 1 1 7 GLY CA C -2.691 4.443 -4.978 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . rr_1t2y 1 . 1 . 64 . 1 1 7 GLY H H -3.135 4.216 -2.891 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . rr_1t2y 1 . 1 . 65 . 1 1 7 GLY HA2 H -3.293 4.884 -5.760 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . rr_1t2y 1 . 1 . 66 . 1 1 7 GLY HA3 H -1.669 4.774 -5.070 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . rr_1t2y 1 . 1 . 67 . 1 1 7 GLY N N -3.230 4.837 -3.646 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . rr_1t2y 1 . 1 . 68 . 1 1 7 GLY O O -3.583 2.305 -4.457 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . rr_1t2y 1 . 1 . 69 . 1 1 8 ALA C C -3.221 0.243 -5.861 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_1t2y 1 . 1 . 70 . 1 1 8 ALA CA C -1.811 0.804 -5.843 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_1t2y 1 . 1 . 71 . 1 1 8 ALA CB C -1.149 0.379 -4.568 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_1t2y 1 . 1 . 72 . 1 1 8 ALA H H -1.110 2.821 -6.200 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_1t2y 1 . 1 . 73 . 1 1 8 ALA HA H -1.266 0.453 -6.696 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_1t2y 1 . 1 . 74 . 1 1 8 ALA HB1 H -0.617 -0.539 -4.735 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_1t2y 1 . 1 . 75 . 1 1 8 ALA HB2 H -1.915 0.229 -3.818 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_1t2y 1 . 1 . 76 . 1 1 8 ALA HB3 H -0.472 1.150 -4.247 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_1t2y 1 . 1 . 77 . 1 1 8 ALA N N -1.826 2.305 -5.774 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_1t2y 1 . 1 . 78 . 1 1 8 ALA O O -3.476 -0.848 -5.403 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_1t2y 1 . 1 . 79 . 1 1 9 SER C C -5.982 0.240 -4.929 . . . 1.0 . . . . . . . . . . . . A . 9 SER C . . . . . . . . . rr_1t2y 1 . 1 . 80 . 1 1 9 SER CA C -5.530 0.496 -6.369 . . . 1.0 . . . . . . . . . . . . A . 9 SER CA . . . . . . . . . rr_1t2y 1 . 1 . 81 . 1 1 9 SER CB C -5.502 -0.801 -7.176 . . . 1.0 . . . . . . . . . . . . A . 9 SER CB . . . . . . . . . rr_1t2y 1 . 1 . 82 . 1 1 9 SER H H -3.911 1.861 -6.703 . . . 1.0 . . . . . . . . . . . . A . 9 SER H . . . . . . . . . rr_1t2y 1 . 1 . 83 . 1 1 9 SER HA H -6.157 1.217 -6.838 . . . 1.0 . . . . . . . . . . . . A . 9 SER HA . . . . . . . . . rr_1t2y 1 . 1 . 84 . 1 1 9 SER HB2 H -5.380 -1.639 -6.510 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB2 . . . . . . . . . rr_1t2y 1 . 1 . 85 . 1 1 9 SER HB3 H -6.432 -0.907 -7.717 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB3 . . . . . . . . . rr_1t2y 1 . 1 . 86 . 1 1 9 SER HG H -3.746 -1.386 -7.780 . . . 1.0 . . . . . . . . . . . . A . 9 SER HG . . . . . . . . . rr_1t2y 1 . 1 . 87 . 1 1 9 SER N N -4.136 0.981 -6.358 . . . 1.0 . . . . . . . . . . . . A . 9 SER N . . . . . . . . . rr_1t2y 1 . 1 . 88 . 1 1 9 SER O O -6.677 -0.713 -4.642 . . . 1.0 . . . . . . . . . . . . A . 9 SER O . . . . . . . . . rr_1t2y 1 . 1 . 89 . 1 1 9 SER OG O -4.410 -0.765 -8.086 . . . 1.0 . . . . . . . . . . . . A . 9 SER OG . . . . . . . . . rr_1t2y 1 . 1 . 90 . 1 1 10 SER C C -5.221 -0.273 -1.985 . . . 1.0 . . . . . . . . . . . . A . 10 SER C . . . . . . . . . rr_1t2y 1 . 1 . 91 . 1 1 10 SER CA C -5.945 0.932 -2.592 . . . 1.0 . . . . . . . . . . . . A . 10 SER CA . . . . . . . . . rr_1t2y 1 . 1 . 92 . 1 1 10 SER CB C -7.459 0.742 -2.588 . . . 1.0 . . . . . . . . . . . . A . 10 SER CB . . . . . . . . . rr_1t2y 1 . 1 . 93 . 1 1 10 SER H H -5.005 1.845 -4.296 . . . 1.0 . . . . . . . . . . . . A . 10 SER H . . . . . . . . . rr_1t2y 1 . 1 . 94 . 1 1 10 SER HA H -5.694 1.821 -2.044 . . . 1.0 . . . . . . . . . . . . A . 10 SER HA . . . . . . . . . rr_1t2y 1 . 1 . 95 . 1 1 10 SER HB2 H -7.870 1.178 -1.693 . . . 1.0 . . . . . . . . . . . . A . 10 SER HB2 . . . . . . . . . rr_1t2y 1 . 1 . 96 . 1 1 10 SER HB3 H -7.880 1.238 -3.453 . . . 1.0 . . . . . . . . . . . . A . 10 SER HB3 . . . . . . . . . rr_1t2y 1 . 1 . 97 . 1 1 10 SER HG H -8.674 -0.737 -2.928 . . . 1.0 . . . . . . . . . . . . A . 10 SER HG . . . . . . . . . rr_1t2y 1 . 1 . 98 . 1 1 10 SER N N -5.573 1.092 -4.026 . . . 1.0 . . . . . . . . . . . . A . 10 SER N . . . . . . . . . rr_1t2y 1 . 1 . 99 . 1 1 10 SER O O -5.700 -0.900 -1.063 . . . 1.0 . . . . . . . . . . . . A . 10 SER O . . . . . . . . . rr_1t2y 1 . 1 . 100 . 1 1 10 SER OG O -7.770 -0.643 -2.618 . . . 1.0 . . . . . . . . . . . . A . 10 SER OG . . . . . . . . . rr_1t2y 1 . 1 . 101 . 1 1 11 CYS C C -2.573 -1.340 -0.642 . . . 1.0 . . . . . . . . . . . . A . 11 CYS C . . . . . . . . . rr_1t2y 1 . 1 . 102 . 1 1 11 CYS CA C -3.289 -1.747 -1.938 . . . 1.0 . . . . . . . . . . . . A . 11 CYS CA . . . . . . . . . rr_1t2y 1 . 1 . 103 . 1 1 11 CYS CB C -2.278 -2.113 -3.031 . . . 1.0 . . . . . . . . . . . . A . 11 CYS CB . . . . . . . . . rr_1t2y 1 . 1 . 104 . 1 1 11 CYS H H -3.683 -0.062 -3.226 . . . 1.0 . . . . . . . . . . . . A . 11 CYS H . . . . . . . . . rr_1t2y 1 . 1 . 105 . 1 1 11 CYS HA H -3.949 -2.580 -1.756 . . . 1.0 . . . . . . . . . . . . A . 11 CYS HA . . . . . . . . . rr_1t2y 1 . 1 . 106 . 1 1 11 CYS HB2 H -2.767 -2.102 -3.992 . . . 1.0 . . . . . . . . . . . . A . 11 CYS HB2 . . . . . . . . . rr_1t2y 1 . 1 . 107 . 1 1 11 CYS HB3 H -1.468 -1.397 -3.034 . . . 1.0 . . . . . . . . . . . . A . 11 CYS HB3 . . . . . . . . . rr_1t2y 1 . 1 . 108 . 1 1 11 CYS HG H -1.731 -4.290 -3.514 . . . 1.0 . . . . . . . . . . . . A . 11 CYS HG . . . . . . . . . rr_1t2y 1 . 1 . 109 . 1 1 11 CYS N N -4.056 -0.590 -2.489 . . . 1.0 . . . . . . . . . . . . A . 11 CYS N . . . . . . . . . rr_1t2y 1 . 1 . 110 . 1 1 11 CYS O O -1.366 -1.208 -0.598 . . . 1.0 . . . . . . . . . . . . A . 11 CYS O . . . . . . . . . rr_1t2y 1 . 1 . 111 . 1 1 11 CYS SG S -1.624 -3.771 -2.713 . . . 1.0 . . . . . . . . . . . . A . 11 CYS SG . . . . . . . . . rr_1t2y 1 . 1 . 112 . 1 1 12 ASN C C -2.241 -2.006 2.480 . . . 1.0 . . . . . . . . . . . . A . 12 ASN C . . . . . . . . . rr_1t2y 1 . 1 . 113 . 1 1 12 ASN CA C -2.712 -0.762 1.725 . . . 1.0 . . . . . . . . . . . . A . 12 ASN CA . . . . . . . . . rr_1t2y 1 . 1 . 114 . 1 1 12 ASN CB C -3.847 -0.088 2.495 . . . 1.0 . . . . . . . . . . . . A . 12 ASN CB . . . . . . . . . rr_1t2y 1 . 1 . 115 . 1 1 12 ASN CG C -3.269 0.764 3.626 . . . 1.0 . . . . . . . . . . . . A . 12 ASN CG . . . . . . . . . rr_1t2y 1 . 1 . 116 . 1 1 12 ASN H H -4.285 -1.277 0.351 . . . 1.0 . . . . . . . . . . . . A . 12 ASN H . . . . . . . . . rr_1t2y 1 . 1 . 117 . 1 1 12 ASN HA H -1.901 -0.066 1.581 . . . 1.0 . . . . . . . . . . . . A . 12 ASN HA . . . . . . . . . rr_1t2y 1 . 1 . 118 . 1 1 12 ASN HB2 H -4.411 0.537 1.824 . . . 1.0 . . . . . . . . . . . . A . 12 ASN HB2 . . . . . . . . . rr_1t2y 1 . 1 . 119 . 1 1 12 ASN HB3 H -4.494 -0.843 2.913 . . . 1.0 . . . . . . . . . . . . A . 12 ASN HB3 . . . . . . . . . rr_1t2y 1 . 1 . 120 . 1 1 12 ASN HD21 H -4.838 0.497 4.812 . . . 1.0 . . . . . . . . . . . . A . 12 ASN HD21 . . . . . . . . . rr_1t2y 1 . 1 . 121 . 1 1 12 ASN HD22 H -3.601 1.465 5.454 . . . 1.0 . . . . . . . . . . . . A . 12 ASN HD22 . . . . . . . . . rr_1t2y 1 . 1 . 122 . 1 1 12 ASN N N -3.319 -1.153 0.416 . . . 1.0 . . . . . . . . . . . . A . 12 ASN N . . . . . . . . . rr_1t2y 1 . 1 . 123 . 1 1 12 ASN ND2 N -3.960 0.922 4.722 . . . 1.0 . . . . . . . . . . . . A . 12 ASN ND2 . . . . . . . . . rr_1t2y 1 . 1 . 124 . 1 1 12 ASN O O -2.075 -1.986 3.683 . . . 1.0 . . . . . . . . . . . . A . 12 ASN O . . . . . . . . . rr_1t2y 1 . 1 . 125 . 1 1 12 ASN OD1 O -2.178 1.289 3.513 . . . 1.0 . . . . . . . . . . . . A . 12 ASN OD1 . . . . . . . . . rr_1t2y 1 . 1 . 126 . 1 1 13 CYS C C -0.603 -4.064 3.532 . . . 1.0 . . . . . . . . . . . . A . 13 CYS C . . . . . . . . . rr_1t2y 1 . 1 . 127 . 1 1 13 CYS CA C -1.631 -4.357 2.451 . . . 1.0 . . . . . . . . . . . . A . 13 CYS CA . . . . . . . . . rr_1t2y 1 . 1 . 128 . 1 1 13 CYS CB C -1.010 -5.188 1.330 . . . 1.0 . . . . . . . . . . . . A . 13 CYS CB . . . . . . . . . rr_1t2y 1 . 1 . 129 . 1 1 13 CYS H H -2.228 -3.090 0.828 . . . 1.0 . . . . . . . . . . . . A . 13 CYS H . . . . . . . . . rr_1t2y 1 . 1 . 130 . 1 1 13 CYS HA H -2.479 -4.874 2.850 . . . 1.0 . . . . . . . . . . . . A . 13 CYS HA . . . . . . . . . rr_1t2y 1 . 1 . 131 . 1 1 13 CYS HB2 H -0.320 -4.577 0.769 . . . 1.0 . . . . . . . . . . . . A . 13 CYS HB2 . . . . . . . . . rr_1t2y 1 . 1 . 132 . 1 1 13 CYS HB3 H -0.486 -6.031 1.754 . . . 1.0 . . . . . . . . . . . . A . 13 CYS HB3 . . . . . . . . . rr_1t2y 1 . 1 . 133 . 1 1 13 CYS HG H -3.082 -5.210 0.341 . . . 1.0 . . . . . . . . . . . . A . 13 CYS HG . . . . . . . . . rr_1t2y 1 . 1 . 134 . 1 1 13 CYS N N -2.056 -3.095 1.784 . . . 1.0 . . . . . . . . . . . . A . 13 CYS N . . . . . . . . . rr_1t2y 1 . 1 . 135 . 1 1 13 CYS O O -0.477 -4.777 4.507 . . . 1.0 . . . . . . . . . . . . A . 13 CYS O . . . . . . . . . rr_1t2y 1 . 1 . 136 . 1 1 13 CYS SG S -2.319 -5.783 0.231 . . . 1.0 . . . . . . . . . . . . A . 13 CYS SG . . . . . . . . . rr_1t2y 1 . 1 . 137 . 1 1 14 GLY C C 2.273 -3.705 4.333 . . . 1.0 . . . . . . . . . . . . A . 14 GLY C . . . . . . . . . rr_1t2y 1 . 1 . 138 . 1 1 14 GLY CA C 1.174 -2.644 4.347 . . . 1.0 . . . . . . . . . . . . A . 14 GLY CA . . . . . . . . . rr_1t2y 1 . 1 . 139 . 1 1 14 GLY H H -0.002 -2.473 2.544 . . . 1.0 . . . . . . . . . . . . A . 14 GLY H . . . . . . . . . rr_1t2y 1 . 1 . 140 . 1 1 14 GLY HA2 H 1.593 -1.681 4.092 . . . 1.0 . . . . . . . . . . . . A . 14 GLY HA2 . . . . . . . . . rr_1t2y 1 . 1 . 141 . 1 1 14 GLY HA3 H 0.734 -2.599 5.331 . . . 1.0 . . . . . . . . . . . . A . 14 GLY HA3 . . . . . . . . . rr_1t2y 1 . 1 . 142 . 1 1 14 GLY N N 0.132 -3.015 3.349 . . . 1.0 . . . . . . . . . . . . A . 14 GLY N . . . . . . . . . rr_1t2y 1 . 1 . 143 . 1 1 14 GLY O O 3.404 -3.440 3.974 . . . 1.0 . . . . . . . . . . . . A . 14 GLY O . . . . . . . . . rr_1t2y 1 . 1 . 144 . 1 1 15 SER C C 3.183 -6.489 3.280 . . . 1.0 . . . . . . . . . . . . A . 15 SER C . . . . . . . . . rr_1t2y 1 . 1 . 145 . 1 1 15 SER CA C 2.962 -5.996 4.706 . . . 1.0 . . . . . . . . . . . . A . 15 SER CA . . . . . . . . . rr_1t2y 1 . 1 . 146 . 1 1 15 SER CB C 2.361 -7.101 5.572 . . . 1.0 . . . . . . . . . . . . A . 15 SER CB . . . . . . . . . rr_1t2y 1 . 1 . 147 . 1 1 15 SER H H 1.024 -5.101 4.985 . . . 1.0 . . . . . . . . . . . . A . 15 SER H . . . . . . . . . rr_1t2y 1 . 1 . 148 . 1 1 15 SER HA H 3.884 -5.656 5.130 . . . 1.0 . . . . . . . . . . . . A . 15 SER HA . . . . . . . . . rr_1t2y 1 . 1 . 149 . 1 1 15 SER HB2 H 1.287 -7.038 5.545 . . . 1.0 . . . . . . . . . . . . A . 15 SER HB2 . . . . . . . . . rr_1t2y 1 . 1 . 150 . 1 1 15 SER HB3 H 2.672 -8.065 5.190 . . . 1.0 . . . . . . . . . . . . A . 15 SER HB3 . . . . . . . . . rr_1t2y 1 . 1 . 151 . 1 1 15 SER HG H 3.508 -7.578 7.071 . . . 1.0 . . . . . . . . . . . . A . 15 SER HG . . . . . . . . . rr_1t2y 1 . 1 . 152 . 1 1 15 SER N N 1.944 -4.909 4.709 . . . 1.0 . . . . . . . . . . . . A . 15 SER N . . . . . . . . . rr_1t2y 1 . 1 . 153 . 1 1 15 SER O O 4.079 -6.052 2.587 . . . 1.0 . . . . . . . . . . . . A . 15 SER O . . . . . . . . . rr_1t2y 1 . 1 . 154 . 1 1 15 SER OG O 2.807 -6.941 6.912 . . . 1.0 . . . . . . . . . . . . A . 15 SER OG . . . . . . . . . rr_1t2y 1 . 1 . 155 . 1 1 16 GLY C C 2.790 -6.778 0.493 . . . 1.0 . . . . . . . . . . . . A . 16 GLY C . . . . . . . . . rr_1t2y 1 . 1 . 156 . 1 1 16 GLY CA C 2.504 -7.930 1.458 . . . 1.0 . . . . . . . . . . . . A . 16 GLY CA . . . . . . . . . rr_1t2y 1 . 1 . 157 . 1 1 16 GLY H H 1.654 -7.722 3.428 . . . 1.0 . . . . . . . . . . . . A . 16 GLY H . . . . . . . . . rr_1t2y 1 . 1 . 158 . 1 1 16 GLY HA2 H 3.319 -8.638 1.427 . . . 1.0 . . . . . . . . . . . . A . 16 GLY HA2 . . . . . . . . . rr_1t2y 1 . 1 . 159 . 1 1 16 GLY HA3 H 1.588 -8.420 1.167 . . . 1.0 . . . . . . . . . . . . A . 16 GLY HA3 . . . . . . . . . rr_1t2y 1 . 1 . 160 . 1 1 16 GLY N N 2.364 -7.395 2.843 . . . 1.0 . . . . . . . . . . . . A . 16 GLY N . . . . . . . . . rr_1t2y 1 . 1 . 161 . 1 1 16 GLY O O 3.684 -6.859 -0.325 . . . 1.0 . . . . . . . . . . . . A . 16 GLY O . . . . . . . . . rr_1t2y 1 . 1 . 162 . 1 1 17 CYS C C 3.731 -4.377 -0.642 . . . 1.0 . . . . . . . . . . . . A . 17 CYS C . . . . . . . . . rr_1t2y 1 . 1 . 163 . 1 1 17 CYS CA C 2.232 -4.545 -0.332 . . . 1.0 . . . . . . . . . . . . A . 17 CYS CA . . . . . . . . . rr_1t2y 1 . 1 . 164 . 1 1 17 CYS CB C 1.643 -3.350 0.453 . . . 1.0 . . . . . . . . . . . . A . 17 CYS CB . . . . . . . . . rr_1t2y 1 . 1 . 165 . 1 1 17 CYS H H 1.305 -5.692 1.241 . . . 1.0 . . . . . . . . . . . . A . 17 CYS H . . . . . . . . . rr_1t2y 1 . 1 . 166 . 1 1 17 CYS HA H 1.672 -4.685 -1.244 . . . 1.0 . . . . . . . . . . . . A . 17 CYS HA . . . . . . . . . rr_1t2y 1 . 1 . 167 . 1 1 17 CYS HB2 H 0.675 -3.100 0.040 . . . 1.0 . . . . . . . . . . . . A . 17 CYS HB2 . . . . . . . . . rr_1t2y 1 . 1 . 168 . 1 1 17 CYS HB3 H 1.516 -3.633 1.489 . . . 1.0 . . . . . . . . . . . . A . 17 CYS HB3 . . . . . . . . . rr_1t2y 1 . 1 . 169 . 1 1 17 CYS HG H 3.135 -1.769 1.214 . . . 1.0 . . . . . . . . . . . . A . 17 CYS HG . . . . . . . . . rr_1t2y 1 . 1 . 170 . 1 1 17 CYS N N 2.026 -5.715 0.580 . . . 1.0 . . . . . . . . . . . . A . 17 CYS N . . . . . . . . . rr_1t2y 1 . 1 . 171 . 1 1 17 CYS O O 4.554 -4.305 0.249 . . . 1.0 . . . . . . . . . . . . A . 17 CYS O . . . . . . . . . rr_1t2y 1 . 1 . 172 . 1 1 17 CYS SG S 2.718 -1.887 0.357 . . . 1.0 . . . . . . . . . . . . A . 17 CYS SG . . . . . . . . . rr_1t2y 1 . 1 . 173 . 1 1 18 SER C C 5.905 -2.752 -2.526 . . . 1.0 . . . . . . . . . . . . A . 18 SER C . . . . . . . . . rr_1t2y 1 . 1 . 174 . 1 1 18 SER CA C 5.530 -4.208 -2.266 . . . 1.0 . . . . . . . . . . . . A . 18 SER CA . . . . . . . . . rr_1t2y 1 . 1 . 175 . 1 1 18 SER CB C 5.677 -5.025 -3.549 . . . 1.0 . . . . . . . . . . . . A . 18 SER CB . . . . . . . . . rr_1t2y 1 . 1 . 176 . 1 1 18 SER H H 3.413 -4.419 -2.605 . . . 1.0 . . . . . . . . . . . . A . 18 SER H . . . . . . . . . rr_1t2y 1 . 1 . 177 . 1 1 18 SER HA H 6.153 -4.624 -1.504 . . . 1.0 . . . . . . . . . . . . A . 18 SER HA . . . . . . . . . rr_1t2y 1 . 1 . 178 . 1 1 18 SER HB2 H 4.841 -4.829 -4.200 . . . 1.0 . . . . . . . . . . . . A . 18 SER HB2 . . . . . . . . . rr_1t2y 1 . 1 . 179 . 1 1 18 SER HB3 H 6.594 -4.744 -4.051 . . . 1.0 . . . . . . . . . . . . A . 18 SER HB3 . . . . . . . . . rr_1t2y 1 . 1 . 180 . 1 1 18 SER HG H 4.867 -6.631 -2.811 . . . 1.0 . . . . . . . . . . . . A . 18 SER HG . . . . . . . . . rr_1t2y 1 . 1 . 181 . 1 1 18 SER N N 4.089 -4.340 -1.899 . . . 1.0 . . . . . . . . . . . . A . 18 SER N . . . . . . . . . rr_1t2y 1 . 1 . 182 . 1 1 18 SER O O 6.580 -2.116 -1.742 . . . 1.0 . . . . . . . . . . . . A . 18 SER O . . . . . . . . . rr_1t2y 1 . 1 . 183 . 1 1 18 SER OG O 5.703 -6.408 -3.225 . . . 1.0 . . . . . . . . . . . . A . 18 SER OG . . . . . . . . . rr_1t2y 1 . 1 . 184 . 1 1 19 CYS C C 5.761 0.086 -2.771 . . . 1.0 . . . . . . . . . . . . A . 19 CYS C . . . . . . . . . rr_1t2y 1 . 1 . 185 . 1 1 19 CYS CA C 5.805 -0.827 -4.002 . . . 1.0 . . . . . . . . . . . . A . 19 CYS CA . . . . . . . . . rr_1t2y 1 . 1 . 186 . 1 1 19 CYS CB C 4.727 -0.423 -5.007 . . . 1.0 . . . . . . . . . . . . A . 19 CYS CB . . . . . . . . . rr_1t2y 1 . 1 . 187 . 1 1 19 CYS H H 4.950 -2.796 -4.240 . . . 1.0 . . . . . . . . . . . . A . 19 CYS H . . . . . . . . . rr_1t2y 1 . 1 . 188 . 1 1 19 CYS HA H 6.776 -0.778 -4.469 . . . 1.0 . . . . . . . . . . . . A . 19 CYS HA . . . . . . . . . rr_1t2y 1 . 1 . 189 . 1 1 19 CYS HB2 H 3.761 -0.748 -4.650 . . . 1.0 . . . . . . . . . . . . A . 19 CYS HB2 . . . . . . . . . rr_1t2y 1 . 1 . 190 . 1 1 19 CYS HB3 H 4.726 0.651 -5.123 . . . 1.0 . . . . . . . . . . . . A . 19 CYS HB3 . . . . . . . . . rr_1t2y 1 . 1 . 191 . 1 1 19 CYS HG H 4.942 -2.147 -6.506 . . . 1.0 . . . . . . . . . . . . A . 19 CYS HG . . . . . . . . . rr_1t2y 1 . 1 . 192 . 1 1 19 CYS N N 5.479 -2.240 -3.635 . . . 1.0 . . . . . . . . . . . . A . 19 CYS N . . . . . . . . . rr_1t2y 1 . 1 . 193 . 1 1 19 CYS O O 5.090 -0.194 -1.798 . . . 1.0 . . . . . . . . . . . . A . 19 CYS O . . . . . . . . . rr_1t2y 1 . 1 . 194 . 1 1 19 CYS SG S 5.073 -1.202 -6.604 . . . 1.0 . . . . . . . . . . . . A . 19 CYS SG . . . . . . . . . rr_1t2y 1 . 1 . 195 . 1 1 20 SER C C 5.115 2.802 -1.524 . . . 1.0 . . . . . . . . . . . . A . 20 SER C . . . . . . . . . rr_1t2y 1 . 1 . 196 . 1 1 20 SER CA C 6.479 2.119 -1.651 . . . 1.0 . . . . . . . . . . . . A . 20 SER CA . . . . . . . . . rr_1t2y 1 . 1 . 197 . 1 1 20 SER CB C 7.568 3.143 -1.970 . . . 1.0 . . . . . . . . . . . . A . 20 SER CB . . . . . . . . . rr_1t2y 1 . 1 . 198 . 1 1 20 SER H H 7.008 1.389 -3.608 . . . 1.0 . . . . . . . . . . . . A . 20 SER H . . . . . . . . . rr_1t2y 1 . 1 . 199 . 1 1 20 SER HA H 6.724 1.592 -0.742 . . . 1.0 . . . . . . . . . . . . A . 20 SER HA . . . . . . . . . rr_1t2y 1 . 1 . 200 . 1 1 20 SER HB2 H 7.421 4.027 -1.371 . . . 1.0 . . . . . . . . . . . . A . 20 SER HB2 . . . . . . . . . rr_1t2y 1 . 1 . 201 . 1 1 20 SER HB3 H 8.538 2.717 -1.746 . . . 1.0 . . . . . . . . . . . . A . 20 SER HB3 . . . . . . . . . rr_1t2y 1 . 1 . 202 . 1 1 20 SER HG H 8.042 4.271 -3.484 . . . 1.0 . . . . . . . . . . . . A . 20 SER HG . . . . . . . . . rr_1t2y 1 . 1 . 203 . 1 1 20 SER N N 6.476 1.182 -2.812 . . . 1.0 . . . . . . . . . . . . A . 20 SER N . . . . . . . . . rr_1t2y 1 . 1 . 204 . 1 1 20 SER O O 4.508 2.803 -0.471 . . . 1.0 . . . . . . . . . . . . A . 20 SER O . . . . . . . . . rr_1t2y 1 . 1 . 205 . 1 1 20 SER OG O 7.496 3.493 -3.347 . . . 1.0 . . . . . . . . . . . . A . 20 SER OG . . . . . . . . . rr_1t2y 1 . 1 . 206 . 1 1 21 ASN C C 2.256 3.042 -2.009 . . . 1.0 . . . . . . . . . . . . A . 21 ASN C . . . . . . . . . rr_1t2y 1 . 1 . 207 . 1 1 21 ASN CA C 3.291 4.042 -2.519 . . . 1.0 . . . . . . . . . . . . A . 21 ASN CA . . . . . . . . . rr_1t2y 1 . 1 . 208 . 1 1 21 ASN CB C 2.971 4.462 -3.955 . . . 1.0 . . . . . . . . . . . . A . 21 ASN CB . . . . . . . . . rr_1t2y 1 . 1 . 209 . 1 1 21 ASN CG C 1.777 5.419 -3.954 . . . 1.0 . . . . . . . . . . . . A . 21 ASN CG . . . . . . . . . rr_1t2y 1 . 1 . 210 . 1 1 21 ASN H H 5.120 3.357 -3.433 . . . 1.0 . . . . . . . . . . . . A . 21 ASN H . . . . . . . . . rr_1t2y 1 . 1 . 211 . 1 1 21 ASN HA H 3.333 4.908 -1.877 . . . 1.0 . . . . . . . . . . . . A . 21 ASN HA . . . . . . . . . rr_1t2y 1 . 1 . 212 . 1 1 21 ASN HB2 H 3.831 4.957 -4.386 . . . 1.0 . . . . . . . . . . . . A . 21 ASN HB2 . . . . . . . . . rr_1t2y 1 . 1 . 213 . 1 1 21 ASN HB3 H 2.728 3.588 -4.541 . . . 1.0 . . . . . . . . . . . . A . 21 ASN HB3 . . . . . . . . . rr_1t2y 1 . 1 . 214 . 1 1 21 ASN HD21 H 2.721 6.824 -2.915 . . . 1.0 . . . . . . . . . . . . A . 21 ASN HD21 . . . . . . . . . rr_1t2y 1 . 1 . 215 . 1 1 21 ASN HD22 H 1.123 7.194 -3.351 . . . 1.0 . . . . . . . . . . . . A . 21 ASN HD22 . . . . . . . . . rr_1t2y 1 . 1 . 216 . 1 1 21 ASN N N 4.622 3.375 -2.590 . . . 1.0 . . . . . . . . . . . . A . 21 ASN N . . . . . . . . . rr_1t2y 1 . 1 . 217 . 1 1 21 ASN ND2 N 1.882 6.575 -3.357 . . . 1.0 . . . . . . . . . . . . A . 21 ASN ND2 . . . . . . . . . rr_1t2y 1 . 1 . 218 . 1 1 21 ASN O O 1.341 3.385 -1.288 . . . 1.0 . . . . . . . . . . . . A . 21 ASN O . . . . . . . . . rr_1t2y 1 . 1 . 219 . 1 1 21 ASN OD1 O 0.737 5.111 -4.502 . . . 1.0 . . . . . . . . . . . . A . 21 ASN OD1 . . . . . . . . . rr_1t2y 1 . 1 . 220 . 1 1 22 CYS C C 1.435 0.713 -0.381 . . . 1.0 . . . . . . . . . . . . A . 22 CYS C . . . . . . . . . rr_1t2y 1 . 1 . 221 . 1 1 22 CYS CA C 1.447 0.760 -1.911 . . . 1.0 . . . . . . . . . . . . A . 22 CYS CA . . . . . . . . . rr_1t2y 1 . 1 . 222 . 1 1 22 CYS CB C 1.987 -0.547 -2.487 . . . 1.0 . . . . . . . . . . . . A . 22 CYS CB . . . . . . . . . rr_1t2y 1 . 1 . 223 . 1 1 22 CYS H H 3.157 1.548 -2.952 . . . 1.0 . . . . . . . . . . . . A . 22 CYS H . . . . . . . . . rr_1t2y 1 . 1 . 224 . 1 1 22 CYS HA H 0.459 0.955 -2.295 . . . 1.0 . . . . . . . . . . . . A . 22 CYS HA . . . . . . . . . rr_1t2y 1 . 1 . 225 . 1 1 22 CYS HB2 H 2.119 -0.443 -3.554 . . . 1.0 . . . . . . . . . . . . A . 22 CYS HB2 . . . . . . . . . rr_1t2y 1 . 1 . 226 . 1 1 22 CYS HB3 H 2.938 -0.775 -2.028 . . . 1.0 . . . . . . . . . . . . A . 22 CYS HB3 . . . . . . . . . rr_1t2y 1 . 1 . 227 . 1 1 22 CYS HG H 1.011 -2.604 -2.761 . . . 1.0 . . . . . . . . . . . . A . 22 CYS HG . . . . . . . . . rr_1t2y 1 . 1 . 228 . 1 1 22 CYS N N 2.406 1.799 -2.375 . . . 1.0 . . . . . . . . . . . . A . 22 CYS N . . . . . . . . . rr_1t2y 1 . 1 . 229 . 1 1 22 CYS O O 0.483 0.276 0.234 . . . 1.0 . . . . . . . . . . . . A . 22 CYS O . . . . . . . . . rr_1t2y 1 . 1 . 230 . 1 1 22 CYS SG S 0.821 -1.886 -2.152 . . . 1.0 . . . . . . . . . . . . A . 22 CYS SG . . . . . . . . . rr_1t2y 1 . 1 . 231 . 1 1 23 GLY C C 3.878 1.772 2.174 . . . 1.0 . . . . . . . . . . . . A . 23 GLY C . . . . . . . . . rr_1t2y 1 . 1 . 232 . 1 1 23 GLY CA C 2.553 1.154 1.723 . . . 1.0 . . . . . . . . . . . . A . 23 GLY CA . . . . . . . . . rr_1t2y 1 . 1 . 233 . 1 1 23 GLY H H 3.247 1.510 -0.283 . . . 1.0 . . . . . . . . . . . . A . 23 GLY H . . . . . . . . . rr_1t2y 1 . 1 . 234 . 1 1 23 GLY HA2 H 1.730 1.731 2.120 . . . 1.0 . . . . . . . . . . . . A . 23 GLY HA2 . . . . . . . . . rr_1t2y 1 . 1 . 235 . 1 1 23 GLY HA3 H 2.490 0.139 2.084 . . . 1.0 . . . . . . . . . . . . A . 23 GLY HA3 . . . . . . . . . rr_1t2y 1 . 1 . 236 . 1 1 23 GLY N N 2.492 1.163 0.235 . . . 1.0 . . . . . . . . . . . . A . 23 GLY N . . . . . . . . . rr_1t2y 1 . 1 . 237 . 1 1 23 GLY O O 4.833 1.077 2.460 . . . 1.0 . . . . . . . . . . . . A . 23 GLY O . . . . . . . . . rr_1t2y 1 . 1 . 238 . 1 1 24 SER C C 5.759 3.091 3.927 . . . 1.0 . . . . . . . . . . . . A . 24 SER C . . . . . . . . . rr_1t2y 1 . 1 . 239 . 1 1 24 SER CA C 5.211 3.741 2.655 . . . 1.0 . . . . . . . . . . . . A . 24 SER CA . . . . . . . . . rr_1t2y 1 . 1 . 240 . 1 1 24 SER CB C 4.820 5.194 2.925 . . . 1.0 . . . . . . . . . . . . A . 24 SER CB . . . . . . . . . rr_1t2y 1 . 1 . 241 . 1 1 24 SER H H 3.164 3.615 1.990 . . . 1.0 . . . . . . . . . . . . A . 24 SER H . . . . . . . . . rr_1t2y 1 . 1 . 242 . 1 1 24 SER HA H 5.942 3.699 1.864 . . . 1.0 . . . . . . . . . . . . A . 24 SER HA . . . . . . . . . rr_1t2y 1 . 1 . 243 . 1 1 24 SER HB2 H 5.522 5.635 3.613 . . . 1.0 . . . . . . . . . . . . A . 24 SER HB2 . . . . . . . . . rr_1t2y 1 . 1 . 244 . 1 1 24 SER HB3 H 4.834 5.748 1.996 . . . 1.0 . . . . . . . . . . . . A . 24 SER HB3 . . . . . . . . . rr_1t2y 1 . 1 . 245 . 1 1 24 SER HG H 3.599 5.046 4.433 . . . 1.0 . . . . . . . . . . . . A . 24 SER HG . . . . . . . . . rr_1t2y 1 . 1 . 246 . 1 1 24 SER N N 3.945 3.074 2.231 . . . 1.0 . . . . . . . . . . . . A . 24 SER N . . . . . . . . . rr_1t2y 1 . 1 . 247 . 1 1 24 SER O O 5.170 2.182 4.478 . . . 1.0 . . . . . . . . . . . . A . 24 SER O . . . . . . . . . rr_1t2y 1 . 1 . 248 . 1 1 24 SER OG O 3.518 5.231 3.495 . . . 1.0 . . . . . . . . . . . . A . 24 SER OG . . . . . . . . . rr_1t2y 1 . 1 . 249 . 1 1 25 LYS C C 6.388 2.708 6.675 . . . 1.0 . . . . . . . . . . . . A . 25 LYS C . . . . . . . . . rr_1t2y 1 . 1 . 250 . 1 1 25 LYS CA C 7.480 2.970 5.634 . . . 1.0 . . . . . . . . . . . . A . 25 LYS CA . . . . . . . . . rr_1t2y 1 . 1 . 251 . 1 1 25 LYS CB C 8.455 4.034 6.139 . . . 1.0 . . . . . . . . . . . . A . 25 LYS CB . . . . . . . . . rr_1t2y 1 . 1 . 252 . 1 1 25 LYS CD C 10.615 4.406 4.938 . . . 1.0 . . . . . . . . . . . . A . 25 LYS CD . . . . . . . . . rr_1t2y 1 . 1 . 253 . 1 1 25 LYS CE C 12.038 4.696 5.420 . . . 1.0 . . . . . . . . . . . . A . 25 LYS CE . . . . . . . . . rr_1t2y 1 . 1 . 254 . 1 1 25 LYS CG C 9.892 3.535 5.967 . . . 1.0 . . . . . . . . . . . . A . 25 LYS CG . . . . . . . . . rr_1t2y 1 . 1 . 255 . 1 1 25 LYS H H 7.342 4.288 3.936 . . . 1.0 . . . . . . . . . . . . A . 25 LYS H . . . . . . . . . rr_1t2y 1 . 1 . 256 . 1 1 25 LYS HA H 8.012 2.061 5.405 . . . 1.0 . . . . . . . . . . . . A . 25 LYS HA . . . . . . . . . rr_1t2y 1 . 1 . 257 . 1 1 25 LYS HB2 H 8.319 4.944 5.572 . . . 1.0 . . . . . . . . . . . . A . 25 LYS HB2 . . . . . . . . . rr_1t2y 1 . 1 . 258 . 1 1 25 LYS HB3 H 8.266 4.229 7.184 . . . 1.0 . . . . . . . . . . . . A . 25 LYS HB3 . . . . . . . . . rr_1t2y 1 . 1 . 259 . 1 1 25 LYS HD2 H 10.653 3.887 3.992 . . . 1.0 . . . . . . . . . . . . A . 25 LYS HD2 . . . . . . . . . rr_1t2y 1 . 1 . 260 . 1 1 25 LYS HD3 H 10.081 5.337 4.817 . . . 1.0 . . . . . . . . . . . . A . 25 LYS HD3 . . . . . . . . . rr_1t2y 1 . 1 . 261 . 1 1 25 LYS HE2 H 12.073 4.700 6.501 . . . 1.0 . . . . . . . . . . . . A . 25 LYS HE2 . . . . . . . . . rr_1t2y 1 . 1 . 262 . 1 1 25 LYS HE3 H 12.726 3.966 5.022 . . . 1.0 . . . . . . . . . . . . A . 25 LYS HE3 . . . . . . . . . rr_1t2y 1 . 1 . 263 . 1 1 25 LYS HG2 H 10.409 3.592 6.915 . . . 1.0 . . . . . . . . . . . . A . 25 LYS HG2 . . . . . . . . . rr_1t2y 1 . 1 . 264 . 1 1 25 LYS HG3 H 9.880 2.512 5.624 . . . 1.0 . . . . . . . . . . . . A . 25 LYS HG3 . . . . . . . . . rr_1t2y 1 . 1 . 265 . 1 1 25 LYS HZ1 H 11.731 6.752 5.316 . . . 1.0 . . . . . . . . . . . . A . 25 LYS HZ1 . . . . . . . . . rr_1t2y 1 . 1 . 266 . 1 1 25 LYS HZ2 H 12.223 6.049 3.850 . . . 1.0 . . . . . . . . . . . . A . 25 LYS HZ2 . . . . . . . . . rr_1t2y 1 . 1 . 267 . 1 1 25 LYS HZ3 H 13.347 6.283 5.102 . . . 1.0 . . . . . . . . . . . . A . 25 LYS HZ3 . . . . . . . . . rr_1t2y 1 . 1 . 268 . 1 1 25 LYS N N 6.886 3.554 4.397 . . . 1.0 . . . . . . . . . . . . A . 25 LYS N . . . . . . . . . rr_1t2y 1 . 1 . 269 . 1 1 25 LYS NZ N 12.359 6.047 4.882 . . . 1.0 . . . . . . . . . . . . A . 25 LYS NZ . . . . . . . . . rr_1t2y 1 . 1 . 270 . 1 1 25 LYS O O 6.588 1.840 7.509 . . . 1.0 . . . . . . . . . . . . A . 25 LYS O . . . . . . . . . rr_1t2y 1 . 1 . 271 . 1 1 25 LYS OXT O 5.370 3.379 6.619 . . . 1.0 . . . . . . . . . . . . A . 25 LYS OXT . . . . . . . . . rr_1t2y 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_1t2y _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 1t2y.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 rr_1t2y 1 1 1t2y.mr . . XPLOR/CNS 2 distance NOE simple 153 rr_1t2y 1 1 1t2y.mr . . 'MR format' 3 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 rr_1t2y 1 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_2 _Gen_dist_constraint_list.Entry_ID rr_1t2y _Gen_dist_constraint_list.ID 1 _Gen_dist_constraint_list.Constraint_type NOE _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 2 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . rr_1t2y 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 4 4 GLY H H . . . 1 1 3 3 CYS H H . . . . . 1.8 1.8 2.7 . . . . . A . 4 GLY H . . A . 3 CYS H . . . 4 . HN . . . . . 3 . HN . . rr_1t2y 1 2 1 . . 1 1 4 4 GLY H H . . . 1 1 5 5 CYS H H . . . . . 1.8 1.8 2.7 . . . . . A . 4 GLY H . . A . 5 CYS H . . . 4 . HN . . . . . 5 . HN . . rr_1t2y 1 3 1 . . 1 1 4 4 GLY H H . . . 1 1 6 6 SER H H . . . . . 1.8 1.8 5.0 . . . . . A . 4 GLY H . . A . 6 SER H . . . 4 . HN . . . . . 6 . HN . . rr_1t2y 1 4 1 . . 1 1 6 6 SER H H . . . 1 1 7 7 GLY H H . . . . . 1.8 1.8 2.7 . . . . . A . 6 SER H . . A . 7 GLY H . . . 6 . HN . . . . . 7 . HN . . rr_1t2y 1 5 1 . . 1 1 5 5 CYS H H . . . 1 1 6 6 SER H H . . . . . 1.8 1.8 5.0 . . . . . A . 5 CYS H . . A . 6 SER H . . . 5 . HN . . . . . 6 . HN . . rr_1t2y 1 6 1 . . 1 1 7 7 GLY H H . . . 1 1 10 10 SER H H . . . . . 1.8 1.8 5.0 . . . . . A . 7 GLY H . . A . 10 SER H . . . 7 . HN . . . . . 10 . HN . . rr_1t2y 1 7 1 . . 1 1 7 7 GLY H H . . . 1 1 8 8 ALA H H . . . . . 1.8 1.8 5.0 . . . . . A . 7 GLY H . . A . 8 ALA H . . . 7 . HN . . . . . 8 . HN . . rr_1t2y 1 8 1 . . 1 1 8 8 ALA H H . . . 1 1 9 9 SER H H . . . . . 1.8 1.8 3.3 . . . . . A . 8 ALA H . . A . 9 SER H . . . 8 . HN . . . . . 9 . HN . . rr_1t2y 1 9 1 . . 1 1 10 10 SER H H . . . 1 1 9 9 SER H H . . . . . 1.8 1.8 3.3 . . . . . A . 10 SER H . . A . 9 SER H . . . 10 . HN . . . . . 9 . HN . . rr_1t2y 1 10 1 . . 1 1 10 10 SER H H . . . 1 1 11 11 CYS H H . . . . . 1.8 1.8 2.7 . . . . . A . 10 SER H . . A . 11 CYS H . . . 10 . HN . . . . . 11 . HN . . rr_1t2y 1 11 1 . . 1 1 13 13 CYS H H . . . 1 1 14 14 GLY H H . . . . . 1.8 1.8 2.7 . . . . . A . 13 CYS H . . A . 14 GLY H . . . 13 . HN . . . . . 14 . HN . . rr_1t2y 1 12 1 . . 1 1 13 13 CYS H H . . . 1 1 12 12 ASN H H . . . . . 1.8 1.8 2.7 . . . . . A . 13 CYS H . . A . 12 ASN H . . . 13 . HN . . . . . 12 . HN . . rr_1t2y 1 13 1 . . 1 1 14 14 GLY H H . . . 1 1 15 15 SER H H . . . . . 1.8 1.8 5.0 . . . . . A . 14 GLY H . . A . 15 SER H . . . 14 . HN . . . . . 15 . HN . . rr_1t2y 1 14 1 . . 1 1 15 15 SER H H . . . 1 1 16 16 GLY H H . . . . . 1.8 1.8 5.0 . . . . . A . 15 SER H . . A . 16 GLY H . . . 15 . HN . . . . . 16 . HN . . rr_1t2y 1 15 1 . . 1 1 16 16 GLY H H . . . 1 1 17 17 CYS H H . . . . . 1.8 1.8 3.3 . . . . . A . 16 GLY H . . A . 17 CYS H . . . 16 . HN . . . . . 17 . HN . . rr_1t2y 1 16 1 . . 1 1 19 19 CYS H H . . . 1 1 18 18 SER H H . . . . . 1.8 1.8 2.7 . . . . . A . 19 CYS H . . A . 18 SER H . . . 19 . HN . . . . . 18 . HN . . rr_1t2y 1 17 1 . . 1 1 20 20 SER H H . . . 1 1 21 21 ASN H H . . . . . 1.8 1.8 5.0 . . . . . A . 20 SER H . . A . 21 ASN H . . . 20 . HN . . . . . 21 . HN . . rr_1t2y 1 18 1 . . 1 1 21 21 ASN H H . . . 1 1 22 22 CYS H H . . . . . 1.8 1.8 3.3 . . . . . A . 21 ASN H . . A . 22 CYS H . . . 21 . HN . . . . . 22 . HN . . rr_1t2y 1 19 1 . . 1 1 22 22 CYS H H . . . 1 1 23 23 GLY H H . . . . . 1.8 1.8 2.7 . . . . . A . 22 CYS H . . A . 23 GLY H . . . 22 . HN . . . . . 23 . HN . . rr_1t2y 1 20 1 . . 1 1 23 23 GLY H H . . . 1 1 24 24 SER H H . . . . . 1.8 1.8 3.3 . . . . . A . 23 GLY H . . A . 24 SER H . . . 23 . HN . . . . . 24 . HN . . rr_1t2y 1 21 1 OR . 1 1 21 21 ASN H H . . . 1 1 21 21 ASN HD22 H . . . . . 1.8 1.8 5.5 . . . . . A . 21 ASN H . . A . 21 ASN HD22 . . . 21 . HN . . . . . 21 . HD2# . . rr_1t2y 1 21 2 OR . 1 1 21 21 ASN H H . . . 1 1 21 21 ASN HD21 H . . . . . 1.8 1.8 5.5 . . . . . A . 21 ASN H . . A . 21 ASN HD21 . . . 21 . HN . . . . . 21 . HD2# . . rr_1t2y 1 22 1 OR . 1 1 2 2 ASP H H . . . 1 1 2 2 ASP HB2 H . . . . . 1.8 1.8 5.5 . . . . . A . 2 ASP H . . A . 2 ASP HB2 . . . 2 . HN . . . . . 2 . HB# . . rr_1t2y 1 22 2 OR . 1 1 2 2 ASP H H . . . 1 1 2 2 ASP HB3 H . . . . . 1.8 1.8 5.5 . . . . . A . 2 ASP H . . A . 2 ASP HB3 . . . 2 . HN . . . . . 2 . HB# . . rr_1t2y 1 23 1 . . 1 1 2 2 ASP H H . . . 1 1 2 2 ASP HA H . . . . . 1.8 1.8 5.0 . . . . . A . 2 ASP H . . A . 2 ASP HA . . . 2 . HN . . . . . 2 . HA . . rr_1t2y 1 24 1 OR . 1 1 3 3 CYS H H . . . 1 1 2 2 ASP HB2 H . . . . . 1.8 1.8 3.8 . . . . . A . 3 CYS H . . A . 2 ASP HB2 . . . 3 . HN . . . . . 2 . HB# . . rr_1t2y 1 24 2 OR . 1 1 3 3 CYS H H . . . 1 1 2 2 ASP HB3 H . . . . . 1.8 1.8 3.8 . . . . . A . 3 CYS H . . A . 2 ASP HB3 . . . 3 . HN . . . . . 2 . HB# . . rr_1t2y 1 25 1 . . 1 1 3 3 CYS H H . . . 1 1 3 3 CYS HA H . . . . . 1.8 1.8 3.3 . . . . . A . 3 CYS H . . A . 3 CYS HA . . . 3 . HN . . . . . 3 . HA . . rr_1t2y 1 26 1 OR . 1 1 3 3 CYS H H . . . 1 1 5 5 CYS HB2 H . . . . . 1.8 1.8 3.8 . . . . . A . 3 CYS H . . A . 5 CYS HB2 . . . 3 . HN . . . . . 5 . HB# . . rr_1t2y 1 26 2 OR . 1 1 3 3 CYS H H . . . 1 1 5 5 CYS HB3 H . . . . . 1.8 1.8 3.8 . . . . . A . 3 CYS H . . A . 5 CYS HB3 . . . 3 . HN . . . . . 5 . HB# . . rr_1t2y 1 27 1 . . 1 1 3 3 CYS H H . . . 1 1 2 2 ASP HA H . . . . . 1.8 1.8 2.7 . . . . . A . 3 CYS H . . A . 2 ASP HA . . . 3 . HN . . . . . 2 . HA . . rr_1t2y 1 28 1 OR . 1 1 3 3 CYS H H . . . 1 1 3 3 CYS HB2 H . . . . . 1.8 1.8 3.2 . . . . . A . 3 CYS H . . A . 3 CYS HB2 . . . 3 . HN . . . . . 3 . HB# . . rr_1t2y 1 28 2 OR . 1 1 3 3 CYS H H . . . 1 1 3 3 CYS HB3 H . . . . . 1.8 1.8 3.2 . . . . . A . 3 CYS H . . A . 3 CYS HB3 . . . 3 . HN . . . . . 3 . HB# . . rr_1t2y 1 29 1 OR . 1 1 4 4 GLY H H . . . 1 1 4 4 GLY HA2 H . . . . . 1.8 1.8 3.2 . . . . . A . 4 GLY H . . A . 4 GLY HA2 . . . 4 . HN . . . . . 4 . HA# . . rr_1t2y 1 29 2 OR . 1 1 4 4 GLY H H . . . 1 1 4 4 GLY HA3 H . . . . . 1.8 1.8 3.2 . . . . . A . 4 GLY H . . A . 4 GLY HA3 . . . 4 . HN . . . . . 4 . HA# . . rr_1t2y 1 30 1 OR . 1 1 4 4 GLY H H . . . 1 1 5 5 CYS HB2 H . . . . . 1.8 1.8 3.8 . . . . . A . 4 GLY H . . A . 5 CYS HB2 . . . 4 . HN . . . . . 5 . HB# . . rr_1t2y 1 30 2 OR . 1 1 4 4 GLY H H . . . 1 1 5 5 CYS HB3 H . . . . . 1.8 1.8 3.8 . . . . . A . 4 GLY H . . A . 5 CYS HB3 . . . 4 . HN . . . . . 5 . HB# . . rr_1t2y 1 31 1 . . 1 1 4 4 GLY H H . . . 1 1 3 3 CYS HA H . . . . . 1.8 1.8 3.3 . . . . . A . 4 GLY H . . A . 3 CYS HA . . . 4 . HN . . . . . 3 . HA . . rr_1t2y 1 32 1 . . 1 1 4 4 GLY H H . . . 1 1 2 2 ASP HA H . . . . . 1.8 1.8 5.0 . . . . . A . 4 GLY H . . A . 2 ASP HA . . . 4 . HN . . . . . 2 . HA . . rr_1t2y 1 33 1 OR . 1 1 4 4 GLY H H . . . 1 1 2 2 ASP HB2 H . . . . . 1.8 1.8 5.5 . . . . . A . 4 GLY H . . A . 2 ASP HB2 . . . 4 . HN . . . . . 2 . HB# . . rr_1t2y 1 33 2 OR . 1 1 4 4 GLY H H . . . 1 1 2 2 ASP HB3 H . . . . . 1.8 1.8 5.5 . . . . . A . 4 GLY H . . A . 2 ASP HB3 . . . 4 . HN . . . . . 2 . HB# . . rr_1t2y 1 34 1 OR . 1 1 5 5 CYS H H . . . 1 1 4 4 GLY HA2 H . . . . . 1.8 1.8 3.8 . . . . . A . 5 CYS H . . A . 4 GLY HA2 . . . 5 . HN . . . . . 4 . HA# . . rr_1t2y 1 34 2 OR . 1 1 5 5 CYS H H . . . 1 1 4 4 GLY HA3 H . . . . . 1.8 1.8 3.8 . . . . . A . 5 CYS H . . A . 4 GLY HA3 . . . 5 . HN . . . . . 4 . HA# . . rr_1t2y 1 35 1 OR . 1 1 5 5 CYS H H . . . 1 1 5 5 CYS HB2 H . . . . . 1.8 1.8 3.2 . . . . . A . 5 CYS H . . A . 5 CYS HB2 . . . 5 . HN . . . . . 5 . HB# . . rr_1t2y 1 35 2 OR . 1 1 5 5 CYS H H . . . 1 1 5 5 CYS HB3 H . . . . . 1.8 1.8 3.2 . . . . . A . 5 CYS H . . A . 5 CYS HB3 . . . 5 . HN . . . . . 5 . HB# . . rr_1t2y 1 36 1 . . 1 1 5 5 CYS H H . . . 1 1 5 5 CYS HA H . . . . . 1.8 1.8 3.3 . . . . . A . 5 CYS H . . A . 5 CYS HA . . . 5 . HN . . . . . 5 . HA . . rr_1t2y 1 37 1 . . 1 1 6 6 SER H H . . . 1 1 6 6 SER HA H . . . . . 1.8 1.8 5.0 . . . . . A . 6 SER H . . A . 6 SER HA . . . 6 . HN . . . . . 6 . HA . . rr_1t2y 1 38 1 OR . 1 1 6 6 SER H H . . . 1 1 6 6 SER HB2 H . . . . . 1.8 1.8 3.8 . . . . . A . 6 SER H . . A . 6 SER HB2 . . . 6 . HN . . . . . 6 . HB# . . rr_1t2y 1 38 2 OR . 1 1 6 6 SER H H . . . 1 1 6 6 SER HB3 H . . . . . 1.8 1.8 3.8 . . . . . A . 6 SER H . . A . 6 SER HB3 . . . 6 . HN . . . . . 6 . HB# . . rr_1t2y 1 39 1 . . 1 1 6 6 SER H H . . . 1 1 5 5 CYS HA H . . . . . 1.8 1.8 3.3 . . . . . A . 6 SER H . . A . 5 CYS HA . . . 6 . HN . . . . . 5 . HA . . rr_1t2y 1 40 1 OR . 1 1 6 6 SER H H . . . 1 1 5 5 CYS HB2 H . . . . . 1.8 1.8 5.5 . . . . . A . 6 SER H . . A . 5 CYS HB2 . . . 6 . HN . . . . . 5 . HB# . . rr_1t2y 1 40 2 OR . 1 1 6 6 SER H H . . . 1 1 5 5 CYS HB3 H . . . . . 1.8 1.8 5.5 . . . . . A . 6 SER H . . A . 5 CYS HB3 . . . 6 . HN . . . . . 5 . HB# . . rr_1t2y 1 41 1 OR . 1 1 7 7 GLY H H . . . 1 1 7 7 GLY HA2 H . . . . . 1.8 1.8 3.8 . . . . . A . 7 GLY H . . A . 7 GLY HA2 . . . 7 . HN . . . . . 7 . HA# . . rr_1t2y 1 41 2 OR . 1 1 7 7 GLY H H . . . 1 1 7 7 GLY HA3 H . . . . . 1.8 1.8 3.8 . . . . . A . 7 GLY H . . A . 7 GLY HA3 . . . 7 . HN . . . . . 7 . HA# . . rr_1t2y 1 42 1 OR . 1 1 7 7 GLY H H . . . 1 1 5 5 CYS HB2 H . . . . . 1.8 1.8 3.2 . . . . . A . 7 GLY H . . A . 5 CYS HB2 . . . 7 . HN . . . . . 5 . HB# . . rr_1t2y 1 42 2 OR . 1 1 7 7 GLY H H . . . 1 1 5 5 CYS HB3 H . . . . . 1.8 1.8 3.2 . . . . . A . 7 GLY H . . A . 5 CYS HB3 . . . 7 . HN . . . . . 5 . HB# . . rr_1t2y 1 43 1 . . 1 1 7 7 GLY H H . . . 1 1 5 5 CYS HA H . . . . . 1.8 1.8 3.3 . . . . . A . 7 GLY H . . A . 5 CYS HA . . . 7 . HN . . . . . 5 . HA . . rr_1t2y 1 44 1 . . 1 1 7 7 GLY H H . . . 1 1 6 6 SER HA H . . . . . 1.8 1.8 3.3 . . . . . A . 7 GLY H . . A . 6 SER HA . . . 7 . HN . . . . . 6 . HA . . rr_1t2y 1 45 1 OR . 1 1 7 7 GLY H H . . . 1 1 6 6 SER HB2 H . . . . . 1.8 1.8 3.8 . . . . . A . 7 GLY H . . A . 6 SER HB2 . . . 7 . HN . . . . . 6 . HB# . . rr_1t2y 1 45 2 OR . 1 1 7 7 GLY H H . . . 1 1 6 6 SER HB3 H . . . . . 1.8 1.8 3.8 . . . . . A . 7 GLY H . . A . 6 SER HB3 . . . 7 . HN . . . . . 6 . HB# . . rr_1t2y 1 46 1 OR . 1 1 7 7 GLY H H . . . 1 1 10 10 SER HB2 H . . . . . 1.8 1.8 5.5 . . . . . A . 7 GLY H . . A . 10 SER HB2 . . . 7 . HN . . . . . 10 . HB# . . rr_1t2y 1 46 2 OR . 1 1 7 7 GLY H H . . . 1 1 10 10 SER HB3 H . . . . . 1.8 1.8 5.5 . . . . . A . 7 GLY H . . A . 10 SER HB3 . . . 7 . HN . . . . . 10 . HB# . . rr_1t2y 1 47 1 . . 1 1 8 8 ALA H H . . . 1 1 22 22 CYS HA H . . . . . 1.8 1.8 5.0 . . . . . A . 8 ALA H . . A . 22 CYS HA . . . 8 . HN . . . . . 22 . HA . . rr_1t2y 1 48 1 OR . 1 1 8 8 ALA H H . . . 1 1 7 7 GLY HA2 H . . . . . 1.8 1.8 3.8 . . . . . A . 8 ALA H . . A . 7 GLY HA2 . . . 8 . HN . . . . . 7 . HA# . . rr_1t2y 1 48 2 OR . 1 1 8 8 ALA H H . . . 1 1 7 7 GLY HA3 H . . . . . 1.8 1.8 3.8 . . . . . A . 8 ALA H . . A . 7 GLY HA3 . . . 8 . HN . . . . . 7 . HA# . . rr_1t2y 1 49 1 . . 1 1 8 8 ALA H H . . . 1 1 8 8 ALA MB H . . . . . 1.8 1.8 3.2 . . . . . A . 8 ALA H . . A . 8 ALA MB . . . 8 . HN . . . . . 8 . HB# . . rr_1t2y 1 50 1 . . 1 1 8 8 ALA H H . . . 1 1 8 8 ALA HA H . . . . . 1.8 1.8 3.3 . . . . . A . 8 ALA H . . A . 8 ALA HA . . . 8 . HN . . . . . 8 . HA . . rr_1t2y 1 51 1 . . 1 1 9 9 SER H H . . . 1 1 8 8 ALA MB H . . . . . 1.8 1.8 3.8 . . . . . A . 9 SER H . . A . 8 ALA MB . . . 9 . HN . . . . . 8 . HB# . . rr_1t2y 1 52 1 OR . 1 1 9 9 SER H H . . . 1 1 9 9 SER HB2 H . . . . . 1.8 1.8 3.8 . . . . . A . 9 SER H . . A . 9 SER HB2 . . . 9 . HN . . . . . 9 . HB# . . rr_1t2y 1 52 2 OR . 1 1 9 9 SER H H . . . 1 1 9 9 SER HB3 H . . . . . 1.8 1.8 3.8 . . . . . A . 9 SER H . . A . 9 SER HB3 . . . 9 . HN . . . . . 9 . HB# . . rr_1t2y 1 53 1 . . 1 1 9 9 SER H H . . . 1 1 9 9 SER HA H . . . . . 1.8 1.8 3.3 . . . . . A . 9 SER H . . A . 9 SER HA . . . 9 . HN . . . . . 9 . HA . . rr_1t2y 1 54 1 . . 1 1 10 10 SER H H . . . 1 1 10 10 SER HA H . . . . . 1.8 1.8 5.0 . . . . . A . 10 SER H . . A . 10 SER HA . . . 10 . HN . . . . . 10 . HA . . rr_1t2y 1 55 1 OR . 1 1 10 10 SER H H . . . 1 1 10 10 SER HB2 H . . . . . 1.8 1.8 3.8 . . . . . A . 10 SER H . . A . 10 SER HB2 . . . 10 . HN . . . . . 10 . HB# . . rr_1t2y 1 55 2 OR . 1 1 10 10 SER H H . . . 1 1 10 10 SER HB3 H . . . . . 1.8 1.8 3.8 . . . . . A . 10 SER H . . A . 10 SER HB3 . . . 10 . HN . . . . . 10 . HB# . . rr_1t2y 1 56 1 . . 1 1 10 10 SER H H . . . 1 1 8 8 ALA MB H . . . . . 1.8 1.8 5.5 . . . . . A . 10 SER H . . A . 8 ALA MB . . . 10 . HN . . . . . 8 . HB# . . rr_1t2y 1 57 1 OR . 1 1 10 10 SER H H . . . 1 1 9 9 SER HB2 H . . . . . 1.8 1.8 5.5 . . . . . A . 10 SER H . . A . 9 SER HB2 . . . 10 . HN . . . . . 9 . HB# . . rr_1t2y 1 57 2 OR . 1 1 10 10 SER H H . . . 1 1 9 9 SER HB3 H . . . . . 1.8 1.8 5.5 . . . . . A . 10 SER H . . A . 9 SER HB3 . . . 10 . HN . . . . . 9 . HB# . . rr_1t2y 1 58 1 . . 1 1 11 11 CYS H H . . . 1 1 8 8 ALA MB H . . . . . 1.8 1.8 5.5 . . . . . A . 11 CYS H . . A . 8 ALA MB . . . 11 . HN . . . . . 8 . HB# . . rr_1t2y 1 59 1 OR . 1 1 11 11 CYS H H . . . 1 1 10 10 SER HB2 H . . . . . 1.8 1.8 5.5 . . . . . A . 11 CYS H . . A . 10 SER HB2 . . . 11 . HN . . . . . 10 . HB# . . rr_1t2y 1 59 2 OR . 1 1 11 11 CYS H H . . . 1 1 10 10 SER HB3 H . . . . . 1.8 1.8 5.5 . . . . . A . 11 CYS H . . A . 10 SER HB3 . . . 11 . HN . . . . . 10 . HB# . . rr_1t2y 1 60 1 . . 1 1 11 11 CYS H H . . . 1 1 11 11 CYS HA H . . . . . 1.8 1.8 3.3 . . . . . A . 11 CYS H . . A . 11 CYS HA . . . 11 . HN . . . . . 11 . HA . . rr_1t2y 1 61 1 OR . 1 1 11 11 CYS H H . . . 1 1 11 11 CYS HB2 H . . . . . 1.8 1.8 3.2 . . . . . A . 11 CYS H . . A . 11 CYS HB2 . . . 11 . HN . . . . . 11 . HB# . . rr_1t2y 1 61 2 OR . 1 1 11 11 CYS H H . . . 1 1 11 11 CYS HB3 H . . . . . 1.8 1.8 3.2 . . . . . A . 11 CYS H . . A . 11 CYS HB3 . . . 11 . HN . . . . . 11 . HB# . . rr_1t2y 1 62 1 . . 1 1 12 12 ASN H H . . . 1 1 12 12 ASN HA H . . . . . 1.8 1.8 3.3 . . . . . A . 12 ASN H . . A . 12 ASN HA . . . 12 . HN . . . . . 12 . HA . . rr_1t2y 1 63 1 OR . 1 1 12 12 ASN H H . . . 1 1 12 12 ASN HB2 H . . . . . 1.8 1.8 3.8 . . . . . A . 12 ASN H . . A . 12 ASN HB2 . . . 12 . HN . . . . . 12 . HB# . . rr_1t2y 1 63 2 OR . 1 1 12 12 ASN H H . . . 1 1 12 12 ASN HB3 H . . . . . 1.8 1.8 3.8 . . . . . A . 12 ASN H . . A . 12 ASN HB3 . . . 12 . HN . . . . . 12 . HB# . . rr_1t2y 1 64 1 . . 1 1 12 12 ASN H H . . . 1 1 11 11 CYS HA H . . . . . 1.8 1.8 2.7 . . . . . A . 12 ASN H . . A . 11 CYS HA . . . 12 . HN . . . . . 11 . HA . . rr_1t2y 1 65 1 OR . 1 1 13 13 CYS H H . . . 1 1 13 13 CYS HB2 H . . . . . 1.8 1.8 3.8 . . . . . A . 13 CYS H . . A . 13 CYS HB2 . . . 13 . HN . . . . . 13 . HB# . . rr_1t2y 1 65 2 OR . 1 1 13 13 CYS H H . . . 1 1 13 13 CYS HB3 H . . . . . 1.8 1.8 3.8 . . . . . A . 13 CYS H . . A . 13 CYS HB3 . . . 13 . HN . . . . . 13 . HB# . . rr_1t2y 1 66 1 . . 1 1 13 13 CYS H H . . . 1 1 13 13 CYS HA H . . . . . 1.8 1.8 3.3 . . . . . A . 13 CYS H . . A . 13 CYS HA . . . 13 . HN . . . . . 13 . HA . . rr_1t2y 1 67 1 . . 1 1 13 13 CYS H H . . . 1 1 12 12 ASN HA H . . . . . 1.8 1.8 3.3 . . . . . A . 13 CYS H . . A . 12 ASN HA . . . 13 . HN . . . . . 12 . HA . . rr_1t2y 1 68 1 . . 1 1 13 13 CYS H H . . . 1 1 11 11 CYS HA H . . . . . 1.8 1.8 5.0 . . . . . A . 13 CYS H . . A . 11 CYS HA . . . 13 . HN . . . . . 11 . HA . . rr_1t2y 1 69 1 OR . 1 1 13 13 CYS H H . . . 1 1 17 17 CYS HB2 H . . . . . 1.8 1.8 3.2 . . . . . A . 13 CYS H . . A . 17 CYS HB2 . . . 13 . HN . . . . . 17 . HB# . . rr_1t2y 1 69 2 OR . 1 1 13 13 CYS H H . . . 1 1 17 17 CYS HB3 H . . . . . 1.8 1.8 3.2 . . . . . A . 13 CYS H . . A . 17 CYS HB3 . . . 13 . HN . . . . . 17 . HB# . . rr_1t2y 1 70 1 OR . 1 1 13 13 CYS H H . . . 1 1 12 12 ASN HB2 H . . . . . 1.8 1.8 5.5 . . . . . A . 13 CYS H . . A . 12 ASN HB2 . . . 13 . HN . . . . . 12 . HB# . . rr_1t2y 1 70 2 OR . 1 1 13 13 CYS H H . . . 1 1 12 12 ASN HB3 H . . . . . 1.8 1.8 5.5 . . . . . A . 13 CYS H . . A . 12 ASN HB3 . . . 13 . HN . . . . . 12 . HB# . . rr_1t2y 1 71 1 . . 1 1 14 14 GLY H H . . . 1 1 13 13 CYS HA H . . . . . 1.8 1.8 3.3 . . . . . A . 14 GLY H . . A . 13 CYS HA . . . 14 . HN . . . . . 13 . HA . . rr_1t2y 1 72 1 OR . 1 1 14 14 GLY H H . . . 1 1 14 14 GLY HA2 H . . . . . 1.8 1.8 3.2 . . . . . A . 14 GLY H . . A . 14 GLY HA2 . . . 14 . HN . . . . . 14 . HA# . . rr_1t2y 1 72 2 OR . 1 1 14 14 GLY H H . . . 1 1 14 14 GLY HA3 H . . . . . 1.8 1.8 3.2 . . . . . A . 14 GLY H . . A . 14 GLY HA3 . . . 14 . HN . . . . . 14 . HA# . . rr_1t2y 1 73 1 . . 1 1 14 14 GLY H H . . . 1 1 12 12 ASN HA H . . . . . 1.8 1.8 5.0 . . . . . A . 14 GLY H . . A . 12 ASN HA . . . 14 . HN . . . . . 12 . HA . . rr_1t2y 1 74 1 OR . 1 1 14 14 GLY H H . . . 1 1 13 13 CYS HB2 H . . . . . 1.8 1.8 3.8 . . . . . A . 14 GLY H . . A . 13 CYS HB2 . . . 14 . HN . . . . . 13 . HB# . . rr_1t2y 1 74 2 OR . 1 1 14 14 GLY H H . . . 1 1 13 13 CYS HB3 H . . . . . 1.8 1.8 3.8 . . . . . A . 14 GLY H . . A . 13 CYS HB3 . . . 14 . HN . . . . . 13 . HB# . . rr_1t2y 1 75 1 OR . 1 1 15 15 SER H H . . . 1 1 14 14 GLY HA2 H . . . . . 1.8 1.8 3.8 . . . . . A . 15 SER H . . A . 14 GLY HA2 . . . 15 . HN . . . . . 14 . HA# . . rr_1t2y 1 75 2 OR . 1 1 15 15 SER H H . . . 1 1 14 14 GLY HA3 H . . . . . 1.8 1.8 3.8 . . . . . A . 15 SER H . . A . 14 GLY HA3 . . . 15 . HN . . . . . 14 . HA# . . rr_1t2y 1 76 1 . . 1 1 15 15 SER H H . . . 1 1 15 15 SER HA H . . . . . 1.8 1.8 3.3 . . . . . A . 15 SER H . . A . 15 SER HA . . . 15 . HN . . . . . 15 . HA . . rr_1t2y 1 77 1 OR . 1 1 15 15 SER H H . . . 1 1 15 15 SER HB2 H . . . . . 1.8 1.8 3.8 . . . . . A . 15 SER H . . A . 15 SER HB2 . . . 15 . HN . . . . . 15 . HB# . . rr_1t2y 1 77 2 OR . 1 1 15 15 SER H H . . . 1 1 15 15 SER HB3 H . . . . . 1.8 1.8 3.8 . . . . . A . 15 SER H . . A . 15 SER HB3 . . . 15 . HN . . . . . 15 . HB# . . rr_1t2y 1 78 1 OR . 1 1 16 16 GLY H H . . . 1 1 16 16 GLY HA2 H . . . . . 1.8 1.8 3.8 . . . . . A . 16 GLY H . . A . 16 GLY HA2 . . . 16 . HN . . . . . 16 . HA# . . rr_1t2y 1 78 2 OR . 1 1 16 16 GLY H H . . . 1 1 16 16 GLY HA3 H . . . . . 1.8 1.8 3.8 . . . . . A . 16 GLY H . . A . 16 GLY HA3 . . . 16 . HN . . . . . 16 . HA# . . rr_1t2y 1 79 1 . . 1 1 16 16 GLY H H . . . 1 1 15 15 SER HA H . . . . . 1.8 1.8 3.3 . . . . . A . 16 GLY H . . A . 15 SER HA . . . 16 . HN . . . . . 15 . HA . . rr_1t2y 1 80 1 OR . 1 1 16 16 GLY H H . . . 1 1 15 15 SER HB2 H . . . . . 1.8 1.8 5.5 . . . . . A . 16 GLY H . . A . 15 SER HB2 . . . 16 . HN . . . . . 15 . HB# . . rr_1t2y 1 80 2 OR . 1 1 16 16 GLY H H . . . 1 1 15 15 SER HB3 H . . . . . 1.8 1.8 5.5 . . . . . A . 16 GLY H . . A . 15 SER HB3 . . . 16 . HN . . . . . 15 . HB# . . rr_1t2y 1 81 1 OR . 1 1 17 17 CYS H H . . . 1 1 13 13 CYS HB2 H . . . . . 1.8 1.8 5.5 . . . . . A . 17 CYS H . . A . 13 CYS HB2 . . . 17 . HN . . . . . 13 . HB# . . rr_1t2y 1 81 2 OR . 1 1 17 17 CYS H H . . . 1 1 13 13 CYS HB3 H . . . . . 1.8 1.8 5.5 . . . . . A . 17 CYS H . . A . 13 CYS HB3 . . . 17 . HN . . . . . 13 . HB# . . rr_1t2y 1 82 1 OR . 1 1 17 17 CYS H H . . . 1 1 16 16 GLY HA2 H . . . . . 1.8 1.8 3.2 . . . . . A . 17 CYS H . . A . 16 GLY HA2 . . . 17 . HN . . . . . 16 . HA# . . rr_1t2y 1 82 2 OR . 1 1 17 17 CYS H H . . . 1 1 16 16 GLY HA3 H . . . . . 1.8 1.8 3.2 . . . . . A . 17 CYS H . . A . 16 GLY HA3 . . . 17 . HN . . . . . 16 . HA# . . rr_1t2y 1 83 1 OR . 1 1 17 17 CYS H H . . . 1 1 17 17 CYS HB2 H . . . . . 1.8 1.8 3.2 . . . . . A . 17 CYS H . . A . 17 CYS HB2 . . . 17 . HN . . . . . 17 . HB# . . rr_1t2y 1 83 2 OR . 1 1 17 17 CYS H H . . . 1 1 17 17 CYS HB3 H . . . . . 1.8 1.8 3.2 . . . . . A . 17 CYS H . . A . 17 CYS HB3 . . . 17 . HN . . . . . 17 . HB# . . rr_1t2y 1 84 1 . . 1 1 17 17 CYS H H . . . 1 1 17 17 CYS HA H . . . . . 1.8 1.8 2.7 . . . . . A . 17 CYS H . . A . 17 CYS HA . . . 17 . HN . . . . . 17 . HA . . rr_1t2y 1 85 1 . . 1 1 18 18 SER H H . . . 1 1 18 18 SER HA H . . . . . 1.8 1.8 3.3 . . . . . A . 18 SER H . . A . 18 SER HA . . . 18 . HN . . . . . 18 . HA . . rr_1t2y 1 86 1 OR . 1 1 18 18 SER H H . . . 1 1 13 13 CYS HB2 H . . . . . 1.8 1.8 5.5 . . . . . A . 18 SER H . . A . 13 CYS HB2 . . . 18 . HN . . . . . 13 . HB# . . rr_1t2y 1 86 2 OR . 1 1 18 18 SER H H . . . 1 1 13 13 CYS HB3 H . . . . . 1.8 1.8 5.5 . . . . . A . 18 SER H . . A . 13 CYS HB3 . . . 18 . HN . . . . . 13 . HB# . . rr_1t2y 1 87 1 . . 1 1 19 19 CYS H H . . . 1 1 18 18 SER HA H . . . . . 1.8 1.8 3.3 . . . . . A . 19 CYS H . . A . 18 SER HA . . . 19 . HN . . . . . 18 . HA . . rr_1t2y 1 88 1 OR . 1 1 19 19 CYS H H . . . 1 1 18 18 SER HB2 H . . . . . 1.8 1.8 3.8 . . . . . A . 19 CYS H . . A . 18 SER HB2 . . . 19 . HN . . . . . 18 . HB# . . rr_1t2y 1 88 2 OR . 1 1 19 19 CYS H H . . . 1 1 18 18 SER HB3 H . . . . . 1.8 1.8 3.8 . . . . . A . 19 CYS H . . A . 18 SER HB3 . . . 19 . HN . . . . . 18 . HB# . . rr_1t2y 1 89 1 OR . 1 1 19 19 CYS H H . . . 1 1 19 19 CYS HB2 H . . . . . 1.8 1.8 3.2 . . . . . A . 19 CYS H . . A . 19 CYS HB2 . . . 19 . HN . . . . . 19 . HB# . . rr_1t2y 1 89 2 OR . 1 1 19 19 CYS H H . . . 1 1 19 19 CYS HB3 H . . . . . 1.8 1.8 3.2 . . . . . A . 19 CYS H . . A . 19 CYS HB3 . . . 19 . HN . . . . . 19 . HB# . . rr_1t2y 1 90 1 OR . 1 1 19 19 CYS H H . . . 1 1 22 22 CYS HB2 H . . . . . 1.8 1.8 5.5 . . . . . A . 19 CYS H . . A . 22 CYS HB2 . . . 19 . HN . . . . . 22 . HB# . . rr_1t2y 1 90 2 OR . 1 1 19 19 CYS H H . . . 1 1 22 22 CYS HB3 H . . . . . 1.8 1.8 5.5 . . . . . A . 19 CYS H . . A . 22 CYS HB3 . . . 19 . HN . . . . . 22 . HB# . . rr_1t2y 1 91 1 . . 1 1 20 20 SER H H . . . 1 1 19 19 CYS HA H . . . . . 1.8 1.8 3.3 . . . . . A . 20 SER H . . A . 19 CYS HA . . . 20 . HN . . . . . 19 . HA . . rr_1t2y 1 92 1 OR . 1 1 20 20 SER H H . . . 1 1 20 20 SER HB2 H . . . . . 1.8 1.8 3.8 . . . . . A . 20 SER H . . A . 20 SER HB2 . . . 20 . HN . . . . . 20 . HB# . . rr_1t2y 1 92 2 OR . 1 1 20 20 SER H H . . . 1 1 20 20 SER HB3 H . . . . . 1.8 1.8 3.8 . . . . . A . 20 SER H . . A . 20 SER HB3 . . . 20 . HN . . . . . 20 . HB# . . rr_1t2y 1 93 1 . . 1 1 20 20 SER H H . . . 1 1 20 20 SER HA H . . . . . 1.8 1.8 3.3 . . . . . A . 20 SER H . . A . 20 SER HA . . . 20 . HN . . . . . 20 . HA . . rr_1t2y 1 94 1 . . 1 1 21 21 ASN H H . . . 1 1 21 21 ASN HA H . . . . . 1.8 1.8 3.3 . . . . . A . 21 ASN H . . A . 21 ASN HA . . . 21 . HN . . . . . 21 . HA . . rr_1t2y 1 95 1 OR . 1 1 21 21 ASN H H . . . 1 1 21 21 ASN HB2 H . . . . . 1.8 1.8 3.8 . . . . . A . 21 ASN H . . A . 21 ASN HB2 . . . 21 . HN . . . . . 21 . HB# . . rr_1t2y 1 95 2 OR . 1 1 21 21 ASN H H . . . 1 1 21 21 ASN HB3 H . . . . . 1.8 1.8 3.8 . . . . . A . 21 ASN H . . A . 21 ASN HB3 . . . 21 . HN . . . . . 21 . HB# . . rr_1t2y 1 96 1 OR . 1 1 21 21 ASN H H . . . 1 1 21 21 ASN HD22 H . . . . . 1.8 1.8 5.5 . . . . . A . 21 ASN H . . A . 21 ASN HD22 . . . 21 . HN . . . . . 21 . HD2# . . rr_1t2y 1 96 2 OR . 1 1 21 21 ASN H H . . . 1 1 21 21 ASN HD21 H . . . . . 1.8 1.8 5.5 . . . . . A . 21 ASN H . . A . 21 ASN HD21 . . . 21 . HN . . . . . 21 . HD2# . . rr_1t2y 1 97 1 OR . 1 1 21 21 ASN H H . . . 1 1 19 19 CYS HB2 H . . . . . 1.8 1.8 3.8 . . . . . A . 21 ASN H . . A . 19 CYS HB2 . . . 21 . HN . . . . . 19 . HB# . . rr_1t2y 1 97 2 OR . 1 1 21 21 ASN H H . . . 1 1 19 19 CYS HB3 H . . . . . 1.8 1.8 3.8 . . . . . A . 21 ASN H . . A . 19 CYS HB3 . . . 21 . HN . . . . . 19 . HB# . . rr_1t2y 1 98 1 OR . 1 1 21 21 ASN H H . . . 1 1 20 20 SER HB2 H . . . . . 1.8 1.8 3.8 . . . . . A . 21 ASN H . . A . 20 SER HB2 . . . 21 . HN . . . . . 20 . HB# . . rr_1t2y 1 98 2 OR . 1 1 21 21 ASN H H . . . 1 1 20 20 SER HB3 H . . . . . 1.8 1.8 3.8 . . . . . A . 21 ASN H . . A . 20 SER HB3 . . . 21 . HN . . . . . 20 . HB# . . rr_1t2y 1 99 1 . . 1 1 21 21 ASN H H . . . 1 1 20 20 SER HA H . . . . . 1.8 1.8 5.0 . . . . . A . 21 ASN H . . A . 20 SER HA . . . 21 . HN . . . . . 20 . HA . . rr_1t2y 1 100 1 . . 1 1 22 22 CYS H H . . . 1 1 22 22 CYS HA H . . . . . 1.8 1.8 5.0 . . . . . A . 22 CYS H . . A . 22 CYS HA . . . 22 . HN . . . . . 22 . HA . . rr_1t2y 1 101 1 OR . 1 1 22 22 CYS H H . . . 1 1 19 19 CYS HB2 H . . . . . 1.8 1.8 3.8 . . . . . A . 22 CYS H . . A . 19 CYS HB2 . . . 22 . HN . . . . . 19 . HB# . . rr_1t2y 1 101 2 OR . 1 1 22 22 CYS H H . . . 1 1 19 19 CYS HB3 H . . . . . 1.8 1.8 3.8 . . . . . A . 22 CYS H . . A . 19 CYS HB3 . . . 22 . HN . . . . . 19 . HB# . . rr_1t2y 1 102 1 OR . 1 1 22 22 CYS H H . . . 1 1 22 22 CYS HB2 H . . . . . 1.8 1.8 3.8 . . . . . A . 22 CYS H . . A . 22 CYS HB2 . . . 22 . HN . . . . . 22 . HB# . . rr_1t2y 1 102 2 OR . 1 1 22 22 CYS H H . . . 1 1 22 22 CYS HB3 H . . . . . 1.8 1.8 3.8 . . . . . A . 22 CYS H . . A . 22 CYS HB3 . . . 22 . HN . . . . . 22 . HB# . . rr_1t2y 1 103 1 OR . 1 1 22 22 CYS H H . . . 1 1 19 19 CYS HB2 H . . . . . 1.8 1.8 3.8 . . . . . A . 22 CYS H . . A . 19 CYS HB2 . . . 22 . HN . . . . . 19 . HB# . . rr_1t2y 1 103 2 OR . 1 1 22 22 CYS H H . . . 1 1 19 19 CYS HB3 H . . . . . 1.8 1.8 3.8 . . . . . A . 22 CYS H . . A . 19 CYS HB3 . . . 22 . HN . . . . . 19 . HB# . . rr_1t2y 1 104 1 . . 1 1 23 23 GLY H H . . . 1 1 20 20 SER HA H . . . . . 1.8 1.8 5.0 . . . . . A . 23 GLY H . . A . 20 SER HA . . . 23 . HN . . . . . 20 . HA . . rr_1t2y 1 105 1 OR . 1 1 23 23 GLY H H . . . 1 1 23 23 GLY HA2 H . . . . . 1.8 1.8 3.2 . . . . . A . 23 GLY H . . A . 23 GLY HA2 . . . 23 . HN . . . . . 23 . HA# . . rr_1t2y 1 105 2 OR . 1 1 23 23 GLY H H . . . 1 1 23 23 GLY HA3 H . . . . . 1.8 1.8 3.2 . . . . . A . 23 GLY H . . A . 23 GLY HA3 . . . 23 . HN . . . . . 23 . HA# . . rr_1t2y 1 106 1 . . 1 1 23 23 GLY H H . . . 1 1 22 22 CYS HA H . . . . . 1.8 1.8 5.0 . . . . . A . 23 GLY H . . A . 22 CYS HA . . . 23 . HN . . . . . 22 . HA . . rr_1t2y 1 107 1 OR . 1 1 23 23 GLY H H . . . 1 1 22 22 CYS HB2 H . . . . . 1.8 1.8 5.5 . . . . . A . 23 GLY H . . A . 22 CYS HB2 . . . 23 . HN . . . . . 22 . HB# . . rr_1t2y 1 107 2 OR . 1 1 23 23 GLY H H . . . 1 1 22 22 CYS HB3 H . . . . . 1.8 1.8 5.5 . . . . . A . 23 GLY H . . A . 22 CYS HB3 . . . 23 . HN . . . . . 22 . HB# . . rr_1t2y 1 108 1 OR . 1 1 24 24 SER H H . . . 1 1 24 24 SER HB2 H . . . . . 1.8 1.8 3.8 . . . . . A . 24 SER H . . A . 24 SER HB2 . . . 24 . HN . . . . . 24 . HB# . . rr_1t2y 1 108 2 OR . 1 1 24 24 SER H H . . . 1 1 24 24 SER HB3 H . . . . . 1.8 1.8 3.8 . . . . . A . 24 SER H . . A . 24 SER HB3 . . . 24 . HN . . . . . 24 . HB# . . rr_1t2y 1 109 1 OR . 1 1 24 24 SER H H . . . 1 1 23 23 GLY HA2 H . . . . . 1.8 1.8 3.8 . . . . . A . 24 SER H . . A . 23 GLY HA2 . . . 24 . HN . . . . . 23 . HA# . . rr_1t2y 1 109 2 OR . 1 1 24 24 SER H H . . . 1 1 23 23 GLY HA3 H . . . . . 1.8 1.8 3.8 . . . . . A . 24 SER H . . A . 23 GLY HA3 . . . 24 . HN . . . . . 23 . HA# . . rr_1t2y 1 110 1 . . 1 1 24 24 SER H H . . . 1 1 20 20 SER HA H . . . . . 1.8 1.8 5.0 . . . . . A . 24 SER H . . A . 20 SER HA . . . 24 . HN . . . . . 20 . HA . . rr_1t2y 1 111 1 . . 1 1 24 24 SER H H . . . 1 1 24 24 SER HA H . . . . . 1.8 1.8 3.3 . . . . . A . 24 SER H . . A . 24 SER HA . . . 24 . HN . . . . . 24 . HA . . rr_1t2y 1 112 1 . . 1 1 25 25 LYS H H . . . 1 1 25 25 LYS HA H . . . . . 1.8 1.8 3.3 . . . . . A . 25 LYS H . . A . 25 LYS HA . . . 25 . HN . . . . . 25 . HA . . rr_1t2y 1 113 1 OR . 1 1 25 25 LYS H H . . . 1 1 24 24 SER HB2 H . . . . . 1.8 1.8 5.5 . . . . . A . 25 LYS H . . A . 24 SER HB2 . . . 25 . HN . . . . . 24 . HB# . . rr_1t2y 1 113 2 OR . 1 1 24 24 SER HB3 H . . . 1 1 25 25 LYS H H . . . . . 1.8 1.8 5.5 . . . . . A . 24 SER HB3 . . A . 25 LYS H . . . 24 . HB# . . . . . 25 . HN . . rr_1t2y 1 114 1 . . 1 1 24 24 SER HA H . . . 1 1 25 25 LYS H H . . . . . 1.8 1.8 2.7 . . . . . A . 24 SER HA . . A . 25 LYS H . . . 24 . HA . . . . . 25 . HN . . rr_1t2y 1 115 1 OR . 1 1 25 25 LYS H H . . . 1 1 25 25 LYS HB2 H . . . . . 1.8 1.8 3.8 . . . . . A . 25 LYS H . . A . 25 LYS HB2 . . . 25 . HN . . . . . 25 . HB# . . rr_1t2y 1 115 2 OR . 1 1 25 25 LYS H H . . . 1 1 25 25 LYS HB3 H . . . . . 1.8 1.8 3.8 . . . . . A . 25 LYS H . . A . 25 LYS HB3 . . . 25 . HN . . . . . 25 . HB# . . rr_1t2y 1 116 1 OR . 1 1 25 25 LYS H H . . . 1 1 25 25 LYS HD2 H . . . . . 1.8 1.8 3.8 . . . . . A . 25 LYS H . . A . 25 LYS HD2 . . . 25 . HN . . . . . 25 . HD# . . rr_1t2y 1 116 2 OR . 1 1 25 25 LYS H H . . . 1 1 25 25 LYS HD3 H . . . . . 1.8 1.8 3.8 . . . . . A . 25 LYS H . . A . 25 LYS HD3 . . . 25 . HN . . . . . 25 . HD# . . rr_1t2y 1 117 1 OR . 1 1 21 21 ASN HB2 H . . . 1 1 21 21 ASN HD22 H . . . . . 1.8 1.8 3.7 . . . . . A . 21 ASN HB2 . . A . 21 ASN HD22 . . . 21 . HB# . . . . . 21 . HD2# . . rr_1t2y 1 117 2 OR . 1 1 21 21 ASN HB3 H . . . 1 1 21 21 ASN HD22 H . . . . . 1.8 1.8 3.7 . . . . . A . 21 ASN HB3 . . A . 21 ASN HD22 . . . 21 . HB# . . . . . 21 . HD2# . . rr_1t2y 1 117 3 OR . 1 1 21 21 ASN HD21 H . . . 1 1 21 21 ASN HB2 H . . . . . 1.8 1.8 3.7 . . . . . A . 21 ASN HD21 . . A . 21 ASN HB2 . . . 21 . HD2# . . . . . 21 . HB# . . rr_1t2y 1 117 4 OR . 1 1 21 21 ASN HD21 H . . . 1 1 21 21 ASN HB3 H . . . . . 1.8 1.8 3.7 . . . . . A . 21 ASN HD21 . . A . 21 ASN HB3 . . . 21 . HD2# . . . . . 21 . HB# . . rr_1t2y 1 118 1 OR . 1 1 21 21 ASN HA H . . . 1 1 21 21 ASN HD22 H . . . . . 1.8 1.8 3.8 . . . . . A . 21 ASN HA . . A . 21 ASN HD22 . . . 21 . HA . . . . . 21 . HD2# . . rr_1t2y 1 118 2 OR . 1 1 21 21 ASN HD21 H . . . 1 1 21 21 ASN HA H . . . . . 1.8 1.8 3.8 . . . . . A . 21 ASN HD21 . . A . 21 ASN HA . . . 21 . HD2# . . . . . 21 . HA . . rr_1t2y 1 119 1 OR . 1 1 12 12 ASN HB2 H . . . 1 1 12 12 ASN HD22 H . . . . . 1.8 1.8 4.3 . . . . . A . 12 ASN HB2 . . A . 12 ASN HD22 . . . 12 . HB# . . . . . 12 . HD2# . . rr_1t2y 1 119 2 OR . 1 1 12 12 ASN HB3 H . . . 1 1 12 12 ASN HD22 H . . . . . 1.8 1.8 4.3 . . . . . A . 12 ASN HB3 . . A . 12 ASN HD22 . . . 12 . HB# . . . . . 12 . HD2# . . rr_1t2y 1 119 3 OR . 1 1 12 12 ASN HD21 H . . . 1 1 12 12 ASN HB2 H . . . . . 1.8 1.8 4.3 . . . . . A . 12 ASN HD21 . . A . 12 ASN HB2 . . . 12 . HD2# . . . . . 12 . HB# . . rr_1t2y 1 119 4 OR . 1 1 12 12 ASN HB3 H . . . 1 1 12 12 ASN HD21 H . . . . . 1.8 1.8 4.3 . . . . . A . 12 ASN HB3 . . A . 12 ASN HD21 . . . 12 . HB# . . . . . 12 . HD2# . . rr_1t2y 1 120 1 OR . 1 1 6 6 SER HB2 H . . . 1 1 21 21 ASN HD22 H . . . . . 1.8 1.8 6.0 . . . . . A . 6 SER HB2 . . A . 21 ASN HD22 . . . 6 . HB# . . . . . 21 . HD2# . . rr_1t2y 1 120 2 OR . 1 1 6 6 SER HB3 H . . . 1 1 21 21 ASN HD22 H . . . . . 1.8 1.8 6.0 . . . . . A . 6 SER HB3 . . A . 21 ASN HD22 . . . 6 . HB# . . . . . 21 . HD2# . . rr_1t2y 1 120 3 OR . 1 1 21 21 ASN HD21 H . . . 1 1 6 6 SER HB2 H . . . . . 1.8 1.8 6.0 . . . . . A . 21 ASN HD21 . . A . 6 SER HB2 . . . 21 . HD2# . . . . . 6 . HB# . . rr_1t2y 1 120 4 OR . 1 1 21 21 ASN HD21 H . . . 1 1 6 6 SER HB3 H . . . . . 1.8 1.8 6.0 . . . . . A . 21 ASN HD21 . . A . 6 SER HB3 . . . 21 . HD2# . . . . . 6 . HB# . . rr_1t2y 1 121 1 OR . 1 1 2 2 ASP HA H . . . 1 1 2 2 ASP HB2 H . . . . . 1.8 1.8 5.5 . . . . . A . 2 ASP HA . . A . 2 ASP HB2 . . . 2 . HA . . . . . 2 . HB# . . rr_1t2y 1 121 2 OR . 1 1 2 2 ASP HB3 H . . . 1 1 2 2 ASP HA H . . . . . 1.8 1.8 5.5 . . . . . A . 2 ASP HB3 . . A . 2 ASP HA . . . 2 . HB# . . . . . 2 . HA . . rr_1t2y 1 122 1 OR . 1 1 3 3 CYS HA H . . . 1 1 3 3 CYS HB2 H . . . . . 1.8 1.8 3.2 . . . . . A . 3 CYS HA . . A . 3 CYS HB2 . . . 3 . HA . . . . . 3 . HB# . . rr_1t2y 1 122 2 OR . 1 1 3 3 CYS HA H . . . 1 1 3 3 CYS HB3 H . . . . . 1.8 1.8 3.2 . . . . . A . 3 CYS HA . . A . 3 CYS HB3 . . . 3 . HA . . . . . 3 . HB# . . rr_1t2y 1 123 1 OR . 1 1 5 5 CYS HA H . . . 1 1 5 5 CYS HB2 H . . . . . 1.8 1.8 3.8 . . . . . A . 5 CYS HA . . A . 5 CYS HB2 . . . 5 . HA . . . . . 5 . HB# . . rr_1t2y 1 123 2 OR . 1 1 5 5 CYS HB3 H . . . 1 1 5 5 CYS HA H . . . . . 1.8 1.8 3.8 . . . . . A . 5 CYS HB3 . . A . 5 CYS HA . . . 5 . HB# . . . . . 5 . HA . . rr_1t2y 1 124 1 OR . 1 1 11 11 CYS HA H . . . 1 1 5 5 CYS HB2 H . . . . . 1.8 1.8 5.5 . . . . . A . 11 CYS HA . . A . 5 CYS HB2 . . . 11 . HA . . . . . 5 . HB# . . rr_1t2y 1 124 2 OR . 1 1 5 5 CYS HB3 H . . . 1 1 11 11 CYS HA H . . . . . 1.8 1.8 5.5 . . . . . A . 5 CYS HB3 . . A . 11 CYS HA . . . 5 . HB# . . . . . 11 . HA . . rr_1t2y 1 125 1 . . 1 1 8 8 ALA MB H . . . 1 1 8 8 ALA HA H . . . . . 1.8 1.8 3.2 . . . . . A . 8 ALA MB . . A . 8 ALA HA . . . 8 . HB# . . . . . 8 . HA . . rr_1t2y 1 126 1 OR . 1 1 8 8 ALA MB H . . . 1 1 7 7 GLY HA2 H . . . . . 1.8 1.8 6.0 . . . . . A . 8 ALA MB . . A . 7 GLY HA2 . . . 8 . HB# . . . . . 7 . HA# . . rr_1t2y 1 126 2 OR . 1 1 7 7 GLY HA3 H . . . 1 1 8 8 ALA MB H . . . . . 1.8 1.8 6.0 . . . . . A . 7 GLY HA3 . . A . 8 ALA MB . . . 7 . HA# . . . . . 8 . HB# . . rr_1t2y 1 127 1 OR . 1 1 8 8 ALA MB H . . . 1 1 9 9 SER HB2 H . . . . . 1.8 1.8 6.0 . . . . . A . 8 ALA MB . . A . 9 SER HB2 . . . 8 . HB# . . . . . 9 . HB# . . rr_1t2y 1 127 2 OR . 1 1 8 8 ALA MB H . . . 1 1 9 9 SER HB3 H . . . . . 1.8 1.8 6.0 . . . . . A . 8 ALA MB . . A . 9 SER HB3 . . . 8 . HB# . . . . . 9 . HB# . . rr_1t2y 1 128 1 . . 1 1 8 8 ALA MB H . . . 1 1 9 9 SER HA H . . . . . 1.8 1.8 5.5 . . . . . A . 8 ALA MB . . A . 9 SER HA . . . 8 . HB# . . . . . 9 . HA . . rr_1t2y 1 129 1 OR . 1 1 8 8 ALA MB H . . . 1 1 11 11 CYS HB2 H . . . . . 1.8 1.8 6.0 . . . . . A . 8 ALA MB . . A . 11 CYS HB2 . . . 8 . HB# . . . . . 11 . HB# . . rr_1t2y 1 129 2 OR . 1 1 8 8 ALA MB H . . . 1 1 11 11 CYS HB3 H . . . . . 1.8 1.8 6.0 . . . . . A . 8 ALA MB . . A . 11 CYS HB3 . . . 8 . HB# . . . . . 11 . HB# . . rr_1t2y 1 130 1 OR . 1 1 8 8 ALA MB H . . . 1 1 22 22 CYS HB2 H . . . . . 1.8 1.8 6.0 . . . . . A . 8 ALA MB . . A . 22 CYS HB2 . . . 8 . HB# . . . . . 22 . HB# . . rr_1t2y 1 130 2 OR . 1 1 8 8 ALA MB H . . . 1 1 22 22 CYS HB3 H . . . . . 1.8 1.8 6.0 . . . . . A . 8 ALA MB . . A . 22 CYS HB3 . . . 8 . HB# . . . . . 22 . HB# . . rr_1t2y 1 131 1 . . 1 1 22 22 CYS HA H . . . 1 1 8 8 ALA MB H . . . . . 1.8 1.8 5.5 . . . . . A . 22 CYS HA . . A . 8 ALA MB . . . 22 . HA . . . . . 8 . HB# . . rr_1t2y 1 132 1 OR . 1 1 9 9 SER HA H . . . 1 1 9 9 SER HB2 H . . . . . 1.8 1.8 3.2 . . . . . A . 9 SER HA . . A . 9 SER HB2 . . . 9 . HA . . . . . 9 . HB# . . rr_1t2y 1 132 2 OR . 1 1 9 9 SER HB3 H . . . 1 1 9 9 SER HA H . . . . . 1.8 1.8 3.2 . . . . . A . 9 SER HB3 . . A . 9 SER HA . . . 9 . HB# . . . . . 9 . HA . . rr_1t2y 1 133 1 OR . 1 1 10 10 SER HA H . . . 1 1 10 10 SER HB2 H . . . . . 1.8 1.8 3.8 . . . . . A . 10 SER HA . . A . 10 SER HB2 . . . 10 . HA . . . . . 10 . HB# . . rr_1t2y 1 133 2 OR . 1 1 10 10 SER HB3 H . . . 1 1 10 10 SER HA H . . . . . 1.8 1.8 3.8 . . . . . A . 10 SER HB3 . . A . 10 SER HA . . . 10 . HB# . . . . . 10 . HA . . rr_1t2y 1 134 1 OR . 1 1 8 8 ALA HA H . . . 1 1 11 11 CYS HB2 H . . . . . 1.8 1.8 3.8 . . . . . A . 8 ALA HA . . A . 11 CYS HB2 . . . 8 . HA . . . . . 11 . HB# . . rr_1t2y 1 134 2 OR . 1 1 8 8 ALA HA H . . . 1 1 11 11 CYS HB3 H . . . . . 1.8 1.8 3.8 . . . . . A . 8 ALA HA . . A . 11 CYS HB3 . . . 8 . HA . . . . . 11 . HB# . . rr_1t2y 1 135 1 OR . 1 1 11 11 CYS HA H . . . 1 1 11 11 CYS HB2 H . . . . . 1.8 1.8 5.5 . . . . . A . 11 CYS HA . . A . 11 CYS HB2 . . . 11 . HA . . . . . 11 . HB# . . rr_1t2y 1 135 2 OR . 1 1 11 11 CYS HA H . . . 1 1 11 11 CYS HB3 H . . . . . 1.8 1.8 5.5 . . . . . A . 11 CYS HA . . A . 11 CYS HB3 . . . 11 . HA . . . . . 11 . HB# . . rr_1t2y 1 136 1 OR . 1 1 12 12 ASN HA H . . . 1 1 5 5 CYS HB2 H . . . . . 1.8 1.8 5.5 . . . . . A . 12 ASN HA . . A . 5 CYS HB2 . . . 12 . HA . . . . . 5 . HB# . . rr_1t2y 1 136 2 OR . 1 1 5 5 CYS HB3 H . . . 1 1 12 12 ASN HA H . . . . . 1.8 1.8 5.5 . . . . . A . 5 CYS HB3 . . A . 12 ASN HA . . . 5 . HB# . . . . . 12 . HA . . rr_1t2y 1 137 1 OR . 1 1 12 12 ASN HB2 H . . . 1 1 12 12 ASN HD22 H . . . . . 1.8 1.8 3.2 . . . . . A . 12 ASN HB2 . . A . 12 ASN HD22 . . . 12 . HB# . . . . . 12 . HD2# . . rr_1t2y 1 137 2 OR . 1 1 12 12 ASN HB3 H . . . 1 1 12 12 ASN HD22 H . . . . . 1.8 1.8 3.2 . . . . . A . 12 ASN HB3 . . A . 12 ASN HD22 . . . 12 . HB# . . . . . 12 . HD2# . . rr_1t2y 1 137 3 OR . 1 1 12 12 ASN HD21 H . . . 1 1 12 12 ASN HB2 H . . . . . 1.8 1.8 3.2 . . . . . A . 12 ASN HD21 . . A . 12 ASN HB2 . . . 12 . HD2# . . . . . 12 . HB# . . rr_1t2y 1 137 4 OR . 1 1 12 12 ASN HB3 H . . . 1 1 12 12 ASN HD21 H . . . . . 1.8 1.8 3.2 . . . . . A . 12 ASN HB3 . . A . 12 ASN HD21 . . . 12 . HB# . . . . . 12 . HD2# . . rr_1t2y 1 138 1 OR . 1 1 12 12 ASN HA H . . . 1 1 12 12 ASN HB2 H . . . . . 1.8 1.8 5.5 . . . . . A . 12 ASN HA . . A . 12 ASN HB2 . . . 12 . HA . . . . . 12 . HB# . . rr_1t2y 1 138 2 OR . 1 1 12 12 ASN HA H . . . 1 1 12 12 ASN HB3 H . . . . . 1.8 1.8 5.5 . . . . . A . 12 ASN HA . . A . 12 ASN HB3 . . . 12 . HA . . . . . 12 . HB# . . rr_1t2y 1 139 1 OR . 1 1 12 12 ASN HA H . . . 1 1 4 4 GLY HA2 H . . . . . 1.8 1.8 5.5 . . . . . A . 12 ASN HA . . A . 4 GLY HA2 . . . 12 . HA . . . . . 4 . HA# . . rr_1t2y 1 139 2 OR . 1 1 4 4 GLY HA3 H . . . 1 1 12 12 ASN HA H . . . . . 1.8 1.8 5.5 . . . . . A . 4 GLY HA3 . . A . 12 ASN HA . . . 4 . HA# . . . . . 12 . HA . . rr_1t2y 1 140 1 OR . 1 1 12 12 ASN HA H . . . 1 1 23 23 GLY HA2 H . . . . . 1.8 1.8 5.5 . . . . . A . 12 ASN HA . . A . 23 GLY HA2 . . . 12 . HA . . . . . 23 . HA# . . rr_1t2y 1 140 2 OR . 1 1 12 12 ASN HA H . . . 1 1 23 23 GLY HA3 H . . . . . 1.8 1.8 5.5 . . . . . A . 12 ASN HA . . A . 23 GLY HA3 . . . 12 . HA . . . . . 23 . HA# . . rr_1t2y 1 141 1 OR . 1 1 13 13 CYS HA H . . . 1 1 13 13 CYS HB2 H . . . . . 1.8 1.8 5.5 . . . . . A . 13 CYS HA . . A . 13 CYS HB2 . . . 13 . HA . . . . . 13 . HB# . . rr_1t2y 1 141 2 OR . 1 1 13 13 CYS HB3 H . . . 1 1 13 13 CYS HA H . . . . . 1.8 1.8 5.5 . . . . . A . 13 CYS HB3 . . A . 13 CYS HA . . . 13 . HB# . . . . . 13 . HA . . rr_1t2y 1 142 1 OR . 1 1 13 13 CYS HB2 H . . . 1 1 17 17 CYS HB2 H . . . . . 1.8 1.8 4.3 . . . . . A . 13 CYS HB2 . . A . 17 CYS HB2 . . . 13 . HB# . . . . . 17 . HB# . . rr_1t2y 1 142 2 OR . 1 1 13 13 CYS HB3 H . . . 1 1 17 17 CYS HB2 H . . . . . 1.8 1.8 4.3 . . . . . A . 13 CYS HB3 . . A . 17 CYS HB2 . . . 13 . HB# . . . . . 17 . HB# . . rr_1t2y 1 142 3 OR . 1 1 17 17 CYS HB3 H . . . 1 1 13 13 CYS HB2 H . . . . . 1.8 1.8 4.3 . . . . . A . 17 CYS HB3 . . A . 13 CYS HB2 . . . 17 . HB# . . . . . 13 . HB# . . rr_1t2y 1 142 4 OR . 1 1 13 13 CYS HB3 H . . . 1 1 17 17 CYS HB3 H . . . . . 1.8 1.8 4.3 . . . . . A . 13 CYS HB3 . . A . 17 CYS HB3 . . . 13 . HB# . . . . . 17 . HB# . . rr_1t2y 1 143 1 OR . 1 1 17 17 CYS HA H . . . 1 1 13 13 CYS HB2 H . . . . . 1.8 1.8 3.8 . . . . . A . 17 CYS HA . . A . 13 CYS HB2 . . . 17 . HA . . . . . 13 . HB# . . rr_1t2y 1 143 2 OR . 1 1 13 13 CYS HB3 H . . . 1 1 17 17 CYS HA H . . . . . 1.8 1.8 3.8 . . . . . A . 13 CYS HB3 . . A . 17 CYS HA . . . 13 . HB# . . . . . 17 . HA . . rr_1t2y 1 144 1 OR . 1 1 17 17 CYS HA H . . . 1 1 17 17 CYS HB2 H . . . . . 1.8 1.8 3.2 . . . . . A . 17 CYS HA . . A . 17 CYS HB2 . . . 17 . HA . . . . . 17 . HB# . . rr_1t2y 1 144 2 OR . 1 1 17 17 CYS HB3 H . . . 1 1 17 17 CYS HA H . . . . . 1.8 1.8 3.2 . . . . . A . 17 CYS HB3 . . A . 17 CYS HA . . . 17 . HB# . . . . . 17 . HA . . rr_1t2y 1 145 1 OR . 1 1 18 18 SER HA H . . . 1 1 18 18 SER HB2 H . . . . . 1.8 1.8 3.8 . . . . . A . 18 SER HA . . A . 18 SER HB2 . . . 18 . HA . . . . . 18 . HB# . . rr_1t2y 1 145 2 OR . 1 1 18 18 SER HA H . . . 1 1 18 18 SER HB3 H . . . . . 1.8 1.8 3.8 . . . . . A . 18 SER HA . . A . 18 SER HB3 . . . 18 . HA . . . . . 18 . HB# . . rr_1t2y 1 146 1 OR . 1 1 19 19 CYS HA H . . . 1 1 19 19 CYS HB2 H . . . . . 1.8 1.8 3.8 . . . . . A . 19 CYS HA . . A . 19 CYS HB2 . . . 19 . HA . . . . . 19 . HB# . . rr_1t2y 1 146 2 OR . 1 1 19 19 CYS HB3 H . . . 1 1 19 19 CYS HA H . . . . . 1.8 1.8 3.8 . . . . . A . 19 CYS HB3 . . A . 19 CYS HA . . . 19 . HB# . . . . . 19 . HA . . rr_1t2y 1 147 1 OR . 1 1 19 19 CYS HB2 H . . . 1 1 22 22 CYS HB2 H . . . . . 1.8 1.8 6.0 . . . . . A . 19 CYS HB2 . . A . 22 CYS HB2 . . . 19 . HB# . . . . . 22 . HB# . . rr_1t2y 1 147 2 OR . 1 1 19 19 CYS HB3 H . . . 1 1 22 22 CYS HB2 H . . . . . 1.8 1.8 6.0 . . . . . A . 19 CYS HB3 . . A . 22 CYS HB2 . . . 19 . HB# . . . . . 22 . HB# . . rr_1t2y 1 147 3 OR . 1 1 22 22 CYS HB3 H . . . 1 1 19 19 CYS HB2 H . . . . . 1.8 1.8 6.0 . . . . . A . 22 CYS HB3 . . A . 19 CYS HB2 . . . 22 . HB# . . . . . 19 . HB# . . rr_1t2y 1 147 4 OR . 1 1 19 19 CYS HB3 H . . . 1 1 22 22 CYS HB3 H . . . . . 1.8 1.8 6.0 . . . . . A . 19 CYS HB3 . . A . 22 CYS HB3 . . . 19 . HB# . . . . . 22 . HB# . . rr_1t2y 1 148 1 OR . 1 1 21 21 ASN HA H . . . 1 1 21 21 ASN HB2 H . . . . . 1.8 1.8 3.8 . . . . . A . 21 ASN HA . . A . 21 ASN HB2 . . . 21 . HA . . . . . 21 . HB# . . rr_1t2y 1 148 2 OR . 1 1 21 21 ASN HA H . . . 1 1 21 21 ASN HB3 H . . . . . 1.8 1.8 3.8 . . . . . A . 21 ASN HA . . A . 21 ASN HB3 . . . 21 . HA . . . . . 21 . HB# . . rr_1t2y 1 149 1 OR . 1 1 7 7 GLY HA3 H . . . 1 1 21 21 ASN HB2 H . . . . . 1.8 1.8 6.0 . . . . . A . 7 GLY HA3 . . A . 21 ASN HB2 . . . 7 . HA# . . . . . 21 . HB# . . rr_1t2y 1 149 2 OR . 1 1 7 7 GLY HA2 H . . . 1 1 21 21 ASN HB2 H . . . . . 1.8 1.8 6.0 . . . . . A . 7 GLY HA2 . . A . 21 ASN HB2 . . . 7 . HA# . . . . . 21 . HB# . . rr_1t2y 1 149 3 OR . 1 1 21 21 ASN HB3 H . . . 1 1 7 7 GLY HA2 H . . . . . 1.8 1.8 6.0 . . . . . A . 21 ASN HB3 . . A . 7 GLY HA2 . . . 21 . HB# . . . . . 7 . HA# . . rr_1t2y 1 149 4 OR . 1 1 7 7 GLY HA3 H . . . 1 1 21 21 ASN HB3 H . . . . . 1.8 1.8 6.0 . . . . . A . 7 GLY HA3 . . A . 21 ASN HB3 . . . 7 . HA# . . . . . 21 . HB# . . rr_1t2y 1 150 1 OR . 1 1 22 22 CYS HA H . . . 1 1 22 22 CYS HB2 H . . . . . 1.8 1.8 3.8 . . . . . A . 22 CYS HA . . A . 22 CYS HB2 . . . 22 . HA . . . . . 22 . HB# . . rr_1t2y 1 150 2 OR . 1 1 22 22 CYS HA H . . . 1 1 22 22 CYS HB3 H . . . . . 1.8 1.8 3.8 . . . . . A . 22 CYS HA . . A . 22 CYS HB3 . . . 22 . HA . . . . . 22 . HB# . . rr_1t2y 1 151 1 OR . 1 1 14 14 GLY HA3 H . . . 1 1 23 23 GLY HA2 H . . . . . 1.8 1.8 4.3 . . . . . A . 14 GLY HA3 . . A . 23 GLY HA2 . . . 14 . HA# . . . . . 23 . HA# . . rr_1t2y 1 151 2 OR . 1 1 14 14 GLY HA2 H . . . 1 1 23 23 GLY HA2 H . . . . . 1.8 1.8 4.3 . . . . . A . 14 GLY HA2 . . A . 23 GLY HA2 . . . 14 . HA# . . . . . 23 . HA# . . rr_1t2y 1 151 3 OR . 1 1 23 23 GLY HA3 H . . . 1 1 14 14 GLY HA2 H . . . . . 1.8 1.8 4.3 . . . . . A . 23 GLY HA3 . . A . 14 GLY HA2 . . . 23 . HA# . . . . . 14 . HA# . . rr_1t2y 1 151 4 OR . 1 1 14 14 GLY HA3 H . . . 1 1 23 23 GLY HA3 H . . . . . 1.8 1.8 4.3 . . . . . A . 14 GLY HA3 . . A . 23 GLY HA3 . . . 14 . HA# . . . . . 23 . HA# . . rr_1t2y 1 152 1 OR . 1 1 25 25 LYS HA H . . . 1 1 25 25 LYS HD2 H . . . . . 1.8 1.8 5.5 . . . . . A . 25 LYS HA . . A . 25 LYS HD2 . . . 25 . HA . . . . . 25 . HD# . . rr_1t2y 1 152 2 OR . 1 1 25 25 LYS HA H . . . 1 1 25 25 LYS HD3 H . . . . . 1.8 1.8 5.5 . . . . . A . 25 LYS HA . . A . 25 LYS HD3 . . . 25 . HA . . . . . 25 . HD# . . rr_1t2y 1 153 1 OR . 1 1 25 25 LYS HA H . . . 1 1 25 25 LYS HB2 H . . . . . 1.8 1.8 3.2 . . . . . A . 25 LYS HA . . A . 25 LYS HB2 . . . 25 . HA . . . . . 25 . HB# . . rr_1t2y 1 153 2 OR . 1 1 25 25 LYS HA H . . . 1 1 25 25 LYS HB3 H . . . . . 1.8 1.8 3.2 . . . . . A . 25 LYS HA . . A . 25 LYS HB3 . . . 25 . HA . . . . . 25 . HB# . . rr_1t2y 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.tbl NcMT ; 2 1 3 7 rr_1t2y 1 2 'message=off echo=off' 4 1 4 28 rr_1t2y 1 3 ; strong: 1.8 0.0 0.9, medium: 1.8 0.0 1.5, weak: 1.8 0.0 3.2 CH2 and CH3 groups added 0.5 A (e.g. strong to HB# was 1.4 upper) NH(i)-NH(j) ; 5 1 7 14 rr_1t2y 1 4 NH(i)-any(j) 28 1 28 15 rr_1t2y 1 5 ; this restraint was a stereospecific restraint on an NH2 group changed to HD2# and added 0.5 A ; 30 1 31 33 rr_1t2y 1 6 ; above peak looks strong but might be overlapped with 19 to 19HA therefore reduced by one order (i.e. magnitude in question not assignment) ; 102 1 103 59 rr_1t2y 1 7 ; sidechain(i)-sidechain(j) sidechains of asn ; 129 1 130 20 rr_1t2y 1 8 'rest of side chains' 135 1 135 22 rr_1t2y 1 9 'message=on echo=on' 169 1 169 26 rr_1t2y 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_1t2y _Org_constr_file_comment.ID 1 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 1 _Org_constr_file_comment.Details 'Generated by Wattos' _Org_constr_file_comment.Comment '*HEADER METAL BINDING PROTEIN 23-APR-04 1T2Y *TITLE NMR SOLUTION STRUCTURE OF THE PROTEIN PART OF CU6- *TITLE 2 NEUROSPORA CRASSA MT *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: METALLOTHIONEIN; *COMPND 3 CHAIN: A; *COMPND 4 SYNONYM: MT; *COMPND 5 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED. THE *SOURCE 4 SEQUENCE OF THE PEPTIDE OCCURS NATURALLY IN THE FUNGUS *SOURCE 5 NEUROSPORA CRASSA. *KEYWDS PROTEIN FOLD, NO SECONDARY STRUCTURAL ELEMENTS *EXPDTA NMR *AUTHOR P.A.COBINE, R.T.MCKAY, K.ZANGGER, C.T.DAMERON, I.M.ARMITAGE *REVDAT 1 23-NOV-04 1T2Y 0' save_